| 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 | 38 | Very low | 37.1 | Very low | 248 Ų | 248 | 152.5 Ų | 152.5 | 100% | 1.222 | 81% | 0.814 | S | S | * | * | 0 | 152.5 | 0 | -69.8 | 178.2 | 172.3 | 0 | 0 | 108.3 | |||||
| 2 | G | 32.9 | Very low | 36.8 | Very low | 80 Ų | 80 | 155.3 Ų | 155.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | 77 | 145.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3 | S | 39.7 | Very low | 36.6 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -138.2 | 172 | -175.8 | -57.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 4 | S | 38.3 | Very low | 36.4 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | 80.2 | 149.5 | 165 | -61.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 5 | K | 43 | Very low | 36 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 76% | 0.757 | 80% | 0.799 | S | S | * | * | cis | -163.1 | 157.8 | -10.5 | -114.6 | 167.7 | -174 | 171.9 | 0 | 111.3 | ||||
| 6 | K | 41.4 | Very low | 35.7 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | 20.8 | 158 | 131.6 | -64.2 | -169.6 | 169.8 | -166.5 | 0 | 120.2 | ||||
| 7 | H | 38.2 | Very low | 35.6 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | cis | -174.6 | 179.6 | -2 | -111 | 21.9 | 0 | 0 | 0 | 105.9 | ||||
| 8 | R | 35 | Very low | 35.3 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 70% | 0.702 | 80% | 0.802 | S | S | * | * | cis | -170.7 | 140.5 | -30 | 168 | -171.8 | 175.2 | -156.7 | 2.5 | 103.8 | E10 | R8-E10 IonicContact CZ-OE2 3.09Å; R8-E10 IonicContact NE-OE2 2.73Å; R8-E10 PolarHBondContact NE-OE2 3.39Å; R8-E10 IonicContact NH2-OE1 3.78Å; R8-E10 IonicContact NH2-OE2 2.65Å; R8-E10 PolarHBondContact NH2-OE2 3.03Å | ||
| 9 | G | 29 | Very low | 35.1 | Very low | 78 Ų | 78 | 137.8 Ų | 137.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -160.7 | 109.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 10 | E | 36 | Very low | 34.9 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | trans | -120.3 | 157.8 | 170 | -69.6 | 147.6 | 98.4 | 0 | 0 | 108.7 | R8 | R8-E10 IonicContact CZ-OE2 3.09Å; R8-E10 IonicContact NE-OE2 2.73Å; R8-E10 PolarHBondContact NE-OE2 3.39Å; R8-E10 IonicContact NH2-OE1 3.78Å; R8-E10 IonicContact NH2-OE2 2.65Å; R8-E10 PolarHBondContact NH2-OE2 3.03Å | ||
| 11 | K | 36.2 | Very low | 34.7 | Very low | 210 Ų | 210 | 133.9 Ų | 133.9 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -157.6 | 139.8 | 150.7 | -118.6 | 173.6 | -175.7 | -174.7 | 0 | 114.5 | ||||
| 12 | E | 33.9 | Very low | 34.5 | Very low | 186 Ų | 186 | 129.2 Ų | 129.2 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -79 | 176.8 | 169.8 | -67.2 | 168.9 | 149.4 | 0 | 0 | 110.8 | ||||
| 13 | A | 34.8 | Very low | 34.4 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | cis | -176.7 | -165.8 | -27.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 14 | T | 32.7 | Very low | 33.9 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | trans | 70 | 152.8 | 171.2 | 83.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 15 | G | 30.6 | Very low | 33.6 | Very low | 59 Ų | 59 | 127.2 Ų | 127.2 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | cis | 175.4 | 142.7 | -14.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 16 | T | 31.1 | Very low | 33.2 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | 62.1 | 152.6 | 143.3 | 52.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 17 | T | 33.5 | Very low | 32.8 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | 91.5 | 148.3 | 166.7 | 72.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 18 | A | 30.7 | Very low | 32.6 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | cis | -167 | 144.7 | -32 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 19 | A | 30.9 | Very low | 32.8 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 72 | 152.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 20 | A | 31.9 | Very low | 33.4 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | 67.6 | 144.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 21 | S | 29.9 | Very low | 33.2 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | cis | -177 | 157.6 | -36.8 | 45.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 22 | T | 35 | Very low | 33 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | trans | 77.3 | 142.4 | 175 | 74.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 23 | G | 30.3 | Very low | 33 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | cis | 177.4 | 164.7 | -7.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 24 | G | 29.7 | Very low | 32.9 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 111.7 | 154.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 25 | A | 32.4 | Very low | 32.9 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -150.2 | -174.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 26 | T | 34.3 | Very low | 32.9 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | 84.4 | 143.2 | -165.5 | 80.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 27 | E | 33.7 | Very low | 33 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | cis | -142.4 | -177.3 | 2.8 | -143 | 164.6 | -141.3 | 0 | 0 | 112.9 | ||||
| 28 | Q | 33.3 | Very low | 33 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | -105.9 | 164.2 | -166 | -87.9 | -106 | -17.5 | 0 | 0 | 114.8 | ||||
| 29 | P | 40 | Very low | 33.1 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 62% | 0.623 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 164.6 | -156.8 | 35.5 | -36.3 | 0 | 0 | 0 | 116.4 | ||
| 30 | P | 39.7 | Very low | 33.1 | Very low | 131 Ų | 131 | 147 Ų | 147 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 151.9 | -176 | 29.3 | -36.9 | 0 | 0 | 0 | 114.7 | ||
| 31 | R | 33.3 | Very low | 33.1 | Very low | 247 Ų | 247 | 153.5 Ų | 153.5 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 126.4 | 179.3 | -69.9 | -178 | 171.7 | -177.5 | -2.3 | 112.9 | ||
| 32 | H | 30.8 | Very low | 33.1 | Very low | 188 Ų | 188 | 153.8 Ų | 153.8 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 155.9 | 162.1 | -99.5 | -103.8 | 0 | 0 | 0 | 112.2 | ||
| 33 | R | 35.7 | Very low | 33 | Very low | 244 Ų | 244 | 150.7 Ų | 150.7 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -148.9 | 141.9 | 163 | -151 | 173.6 | -169.1 | 171.8 | 3.9 | 112.8 | ||||
| 34 | E | 30.8 | Very low | 32.9 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | trans | -134.7 | -174.5 | 178.7 | -71.1 | -153.3 | 77 | 0 | 0 | 110.1 | ||||
| 35 | H | 34.2 | Very low | 32.9 | Very low | 129 Ų | 129 | 152.8 Ų | 152.8 | 60% | 0.597 | 79% | 0.787 | S | S | * | * | cis | -157.2 | -179.5 | 12.4 | -169.4 | 61.8 | 0 | 0 | 0 | 109.8 | ||||
| 36 | K | 30.1 | Very low | 32.7 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 94.1 | 124 | 162.2 | -58.6 | 161.3 | -177.1 | 168.3 | 0 | 114.3 | ||||
| 37 | K | 33.9 | Very low | 32.4 | Very low | 153 Ų | 153 | 148.5 Ų | 148.5 | 67% | 0.665 | 78% | 0.779 | S | S | * | * | 74 | 138.9 | 57.6 | -69.5 | 171.9 | 168.9 | 172.4 | 0 | 111.4 | |||||
| 38 | H | 33.7 | Very low | 32.3 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | cis | -132.3 | -165.9 | 13 | -80.9 | -81.9 | 0 | 0 | 0 | 109.9 | ||||
| 39 | K | 31 | Very low | 32.1 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | cis | -163.2 | 160 | 20.4 | -153.7 | 160.8 | -177.2 | 177.1 | 0 | 113.4 | ||||
| 40 | H | 32.1 | Very low | 31.6 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.667 | 79% | 0.785 | S | S | * | * | trans | -15.1 | 164.5 | 161.9 | -51.4 | -38 | 0 | 0 | 0 | 120.4 | ||||
| 41 | R | 32 | Very low | 31.2 | Very low | 234 Ų | 234 | 140.6 Ų | 140.6 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | cis | -162.3 | -173.2 | 11.6 | -128.3 | -178.9 | -170.5 | 170.6 | 2.2 | 106.5 | ||||
| 42 | S | 29.6 | Very low | 31.1 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | cis | -167.7 | 142.2 | -5.1 | 31.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 43 | G | 31.7 | Very low | 31.2 | Very low | 85 Ų | 85 | 137.1 Ų | 137.1 | 88% | 0.876 | 76% | 0.756 | S | S | * | * | trans | 86.2 | 149.2 | 157.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 44 | G | 28.5 | Very low | 31 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | cis | 158.9 | 126.5 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 45 | S | 30 | Very low | 30.9 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | trans | 62.7 | 147.4 | -175.1 | -118.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 46 | G | 29.5 | Very low | 30.7 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | cis | 107.6 | 138.1 | 24.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 47 | G | 27.7 | Very low | 30.7 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | cis | 164.4 | 148.3 | -1.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 48 | S | 30.4 | Very low | 30.4 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 97% | 0.965 | 77% | 0.772 | S | S | * | * | trans | 63.9 | 163.9 | -171.3 | 83.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 49 | G | 29.1 | Very low | 30.1 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | 164.9 | 128.5 | -10.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 50 | G | 29.8 | Very low | 29.9 | Very low | 75 Ų | 75 | 138.6 Ų | 138.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 71.6 | 174.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 51 | E | 31.9 | Very low | 29.8 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | cis | -153.9 | 144.3 | -21.2 | -127.5 | -157 | 95.2 | 0 | 0 | 112.7 | ||||
| 52 | R | 31.6 | Very low | 29.6 | Very low | 174 Ų | 174 | 132 Ų | 132 | 66% | 0.657 | 78% | 0.783 | S | S | * | * | trans | 40.2 | 122.9 | 147.4 | -75.3 | -169.2 | -167.9 | 133.5 | -5.8 | 122.5 | ||||
| 53 | R | 31.7 | Very low | 29.5 | Very low | 188 Ų | 188 | 138.2 Ų | 138.2 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | 95 | 120.4 | 120.2 | -76.2 | 172.5 | 175.5 | 168.2 | 0.6 | 121.6 | |||||
| 54 | K | 32.1 | Very low | 29.4 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | 64 | 124.8 | 133.6 | -61.7 | 179.6 | 178.7 | -170.5 | 0 | 119.1 | ||||
| 55 | R | 28.9 | Very low | 29.5 | Very low | 240 Ų | 240 | 140 Ų | 140 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | -163.6 | 177.8 | 96.5 | -108.4 | 171.3 | 179.1 | 166.9 | -0.5 | 113.5 | |||||
| 56 | S | 29.6 | Very low | 29.5 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -35.5 | 163.5 | 172.6 | 35.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 57 | R | 30.2 | Very low | 29.5 | Very low | 215 Ų | 215 | 143.7 Ų | 143.7 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | cis | 138.3 | 150.1 | 4.7 | -165.3 | -174.1 | -168.9 | 149.7 | 4.5 | 104 | ||||
| 58 | E | 26.7 | Very low | 29.7 | Very low | 156 Ų | 156 | 151 Ų | 151 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | 68 | 161.2 | 170.7 | -72.6 | 158.3 | -122.6 | 0 | 0 | 117.4 | ||||
| 59 | R | 28.5 | Very low | 29.6 | Very low | 230 Ų | 230 | 147.6 Ų | 147.6 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | cis | -168.7 | 127.2 | -35.4 | -174.1 | 175.3 | -167.1 | 177 | 1.1 | 109.7 | ||||
| 60 | G | 25.6 | Very low | 29.7 | Very low | 82 Ų | 82 | 149 Ų | 149 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 74.6 | 169.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 61 | G | 29.9 | Very low | 29.7 | Very low | 74 Ų | 74 | 154.9 Ų | 154.9 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | cis | 148.1 | 84.1 | -12.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 62 | E | 27.8 | Very low | 29.7 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | -135.4 | 136.3 | 164.6 | -75.9 | -157.5 | 112.1 | 0 | 0 | 108 | ||||
| 63 | R | 28.2 | Very low | 29.8 | Very low | 232 Ų | 232 | 154 Ų | 154 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | 59 | 121 | 69.6 | -61.7 | 174.6 | 171.2 | 179.1 | -3.5 | 111.5 | |||||
| 64 | G | 29.5 | Very low | 29.7 | Very low | 64 Ų | 64 | 149.2 Ų | 149.2 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | cis | 168.6 | -166.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 65 | S | 31.2 | Very low | 29.7 | Very low | 133 Ų | 133 | 153 Ų | 153 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | 64.9 | 140.4 | 176.9 | 71.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 66 | G | 28.8 | Very low | 29.6 | Very low | 66 Ų | 66 | 146.6 Ų | 146.6 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | cis | 143.1 | 149.9 | -18.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 67 | R | 31.3 | Very low | 29.6 | Very low | 219 Ų | 219 | 147.6 Ų | 147.6 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | 73.3 | 148.5 | 176.3 | -58.4 | 179 | 174 | -171.5 | -2.5 | 113.8 | ||||
| 68 | R | 30.3 | Very low | 29.7 | Very low | 216 Ų | 216 | 142.5 Ų | 142.5 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | cis | -157.6 | 166.8 | 0.2 | -125.7 | 167.7 | -176.5 | -178.8 | -3.9 | 110.3 | ||||
| 69 | G | 29.8 | Very low | 29.8 | Very low | 67 Ų | 67 | 144.9 Ų | 144.9 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | 98.9 | 126.8 | -175 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 70 | A | 30.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 137.4 Ų | 137.4 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | cis | 58.8 | 132.5 | 17.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 71 | E | 29.6 | Very low | 30.1 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 93% | 0.925 | 82% | 0.818 | S | S | * | * | cis | -120.3 | 164.2 | 18.7 | -66.1 | 166.6 | 158.1 | 0 | 0 | 113.7 | ||||
| 72 | A | 32.4 | Very low | 30.1 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -156.2 | 112.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 73 | E | 32.7 | Very low | 30.1 | Very low | 202 Ų | 202 | 154.1 Ų | 154.1 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -74.9 | 156.4 | 173.6 | -73.3 | -149.3 | 123.2 | 0 | 0 | 112.1 | ||||
| 74 | A | 31.2 | Very low | 30.3 | Very low | 87 Ų | 87 | 148.5 Ų | 148.5 | 72% | 0.719 | 83% | 0.826 | S | S | * | * | trans | -102.2 | 141.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 75 | R | 30.2 | Very low | 30.4 | Very low | 258 Ų | 258 | 153.5 Ų | 153.5 | 97% | 0.974 | 83% | 0.832 | S | S | * | * | trans | -157.9 | 116.9 | 137.6 | -101.7 | 141.8 | -158.5 | -127.2 | 3.8 | 110.2 | ||||
| 76 | S | 28.8 | Very low | 30.3 | Very low | 106 Ų | 106 | 151.8 Ų | 151.8 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | trans | -86.1 | 130.4 | 171.2 | 49.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 77 | S | 28.7 | Very low | 30.5 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -81.1 | 147.7 | 162.2 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 78 | T | 31.8 | Very low | 30.6 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 66% | 0.663 | 83% | 0.826 | S | S | * | * | trans | -134.4 | 109.5 | -170.1 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 79 | H | 30.1 | Very low | 30.7 | Very low | 207 Ų | 207 | 146.8 Ų | 146.8 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | -161.1 | 150.5 | 150.8 | -75.1 | -50.9 | 0 | 0 | 0 | 107.1 | ||||
| 80 | G | 27.9 | Very low | 30.8 | Very low | 73 Ų | 73 | 152.5 Ų | 152.5 | 75% | 0.753 | 84% | 0.835 | S | S | * | * | cis | -172.7 | 115.9 | -11.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 81 | R | 31.4 | Very low | 30.8 | Very low | 246 Ų | 246 | 159.3 Ų | 159.3 | 93% | 0.928 | 84% | 0.839 | S | S | * | * | trans | -128.9 | 110.1 | -168.8 | -167.8 | 178.3 | -173.7 | -164 | 1.1 | 110.9 | ||||
| 82 | E | 29.1 | Very low | 30.8 | Very low | 192 Ų | 192 | 161.6 Ų | 161.6 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | -58.3 | 144.9 | 177.5 | -61.7 | -174.8 | 119 | 0 | 0 | 111.9 | ||||
| 83 | R | 29.7 | Very low | 30.8 | Very low | 235 Ų | 235 | 163.1 Ų | 163.1 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | trans | -130.4 | 94.7 | 179.4 | -176.5 | -177.1 | -178.9 | -169.6 | -0.8 | 108.5 | ||||
| 84 | S | 31.8 | Very low | 30.7 | Very low | 115 Ų | 115 | 162.4 Ų | 162.4 | 80% | 0.804 | 83% | 0.831 | S | S | * | * | trans | -58.2 | 138.3 | 164.4 | 43.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 85 | Q | 31 | Very low | 30.7 | Very low | 168 Ų | 168 | 168.8 Ų | 168.8 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -77.1 | 148.3 | 172.6 | -66.1 | 178.6 | -6.9 | 0 | 0 | 109.5 | ||||
| 86 | A | 29.1 | Very low | 30.7 | Very low | 98 Ų | 98 | 164.4 Ų | 164.4 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -144.1 | 127.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 87 | E | 33.2 | Very low | 30.9 | Very low | 165 Ų | 165 | 166.9 Ų | 166.9 | 77% | 0.771 | 83% | 0.825 | S | S | * | * | trans | -65.6 | 154.9 | -178.7 | -75.6 | -61 | 127.5 | 0 | 0 | 112.7 | S89 | E87-S89 PolarHBondContact O-N 3.31Š| ||
| 88 | P | 33.3 | Very low | 31 | Very low | 114 Ų | 114 | 172.4 Ų | 172.4 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | trans | -81.1 | 104.7 | -173.9 | 32.2 | -32 | 0 | 0 | 0 | 111.8 | ||||
| 89 | S | 31.5 | Very low | 30.9 | Very low | 116 Ų | 116 | 174 Ų | 174 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -75.5 | 146.9 | 176.2 | 55 | 0 | 0 | 0 | 0 | 113.7 | E87 | E87-S89 PolarHBondContact O-N 3.31Š| ||
| 90 | E | 32.9 | Very low | 31 | Very low | 188 Ų | 188 | 172.1 Ų | 172.1 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -69.5 | 137.6 | -165.4 | -55 | -178.7 | 127.9 | 0 | 0 | 114.4 | R92 | E90-R92 PolarHBondContact O-N 2.93Å; E90-R92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | R | 31.3 | Very low | 31.1 | Very low | 243 Ų | 243 | 172.4 Ų | 172.4 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | trans | -83.8 | 84.5 | 170.4 | -74.8 | -168.9 | 173.1 | -161 | -0.8 | 111.6 | V93 | R91-V93 PolarHBondContact O-N 3.39Å; R91-V93 VanDerWaalsContact O-N 3.09Å | ||
| 92 | R | 29.4 | Very low | 31 | Very low | 247 Ų | 247 | 172 Ų | 172 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | trans | -51 | 108.9 | 173.3 | -164.8 | 179 | -168 | -171.8 | 5.9 | 111.9 | E90 | E90-R92 PolarHBondContact O-N 2.93Å; E90-R92 VanDerWaalsContact O-N 3.11Å | ||
| 93 | V | 31.8 | Very low | 31.1 | Very low | 133 Ų | 133 | 171.4 Ų | 171.4 | 81% | 0.806 | 83% | 0.828 | S | S | * | * | trans | -73.1 | 142.2 | -179.3 | 176.4 | 0 | 0 | 0 | 0 | 111.2 | R91 R95 | R91-V93 PolarHBondContact O-N 3.39Å; R91-V93 VanDerWaalsContact O-N 3.09Å; V93-R95 PolarHBondContact O-N 3.27Å | ||
| 94 | K | 31.5 | Very low | 31.1 | Very low | 186 Ų | 186 | 164.5 Ų | 164.5 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | trans | -73.6 | 111.8 | 178 | -172.5 | -175.4 | 178.4 | -165.3 | 0 | 110.5 | ||||
| 95 | R | 29.5 | Very low | 30.9 | Very low | 222 Ų | 222 | 163.8 Ų | 163.8 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -77.4 | 123.9 | 177 | -174.9 | -173.2 | -170.3 | -169.8 | 7.3 | 111.3 | V93 | V93-R95 PolarHBondContact O-N 3.27Š| ||
| 96 | E | 30.3 | Very low | 30.8 | Very low | 166 Ų | 166 | 159.9 Ų | 159.9 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -138.7 | 131.3 | 162 | -165.2 | 159.9 | -171 | 0 | 0 | 108 | ||||
| 97 | K | 33.5 | Very low | 30.9 | Very low | 157 Ų | 157 | 160.7 Ų | 160.7 | 68% | 0.683 | 82% | 0.819 | S | S | * | * | trans | -78.4 | 142.4 | -176.8 | -80 | -177.3 | 163.6 | -165 | 0 | 111 | ||||
| 98 | R | 30.8 | Very low | 30.9 | Very low | 242 Ų | 242 | 157.3 Ų | 157.3 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | -149.3 | 164 | 129.5 | -71.7 | -148.7 | 176.9 | -161 | -4 | 109.9 | |||||
| 99 | D | 30.2 | Very low | 30.9 | Very low | 141 Ų | 141 | 161 Ų | 161 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | trans | -96.2 | 178.1 | -155.5 | -44.8 | -89.2 | 0 | 0 | 0 | 114 | ||||
| 100 | D | 32.9 | Very low | 31.1 | Very low | 167 Ų | 167 | 161.3 Ų | 161.3 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 161.7 | -169.3 | -65.9 | -82.4 | 0 | 0 | 0 | 116.3 | ||
| 101 | G | 29.1 | Very low | 30.9 | Very low | 79 Ų | 79 | 157.6 Ų | 157.6 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 149.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 102 | Y | 30.1 | Very low | 31 | Very low | 239 Ų | 239 | 151.1 Ų | 151.1 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 138.7 | 163.8 | -138.7 | -95.5 | 0 | 0 | 0 | 109.2 | ||
| 103 | E | 30.9 | Very low | 31.1 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 156.6 | -176.4 | -155.3 | -176.8 | -135.2 | 0 | 0 | 112.8 | ||
| 104 | A | 28.5 | Very low | 31.2 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | 58.2 | 118.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 105 | A | 28.1 | Very low | 31.3 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | 179.6 | 145.2 | 109.7 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 106 | A | 28.8 | Very low | 31.9 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 55.5 | 115.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 107 | S | 31.2 | Very low | 33 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | 74.8 | 164.4 | 134.3 | 78.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 108 | S | 32.9 | Very low | 34.9 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | -169.2 | 146 | -52 | 61.3 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 109 | K | 33.9 | Very low | 37.1 | Very low | 192 Ų | 192 | 119.5 Ų | 119.5 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | 67.7 | 160.8 | 164.7 | -66.2 | 178.9 | -179.5 | 178.2 | 0 | 116.9 | ||||
| 110 | T | 34.7 | Very low | 39.3 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | -175.3 | 138.7 | -59.9 | 29.5 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 111 | S | 30.4 | Very low | 41.3 | Very low | 111 Ų | 111 | 115.8 Ų | 115.8 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | -152.8 | 74.2 | 159.2 | 60.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 112 | S | 32.3 | Very low | 43.8 | Very low | 106 Ų | 106 | 116.1 Ų | 116.1 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | 62.9 | 76.7 | 84.3 | 77.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 113 | G | 31.9 | Very low | 46.3 | Very low | 75 Ų | 75 | 107.1 Ų | 107.1 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | trans | -131.4 | 112 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 114 | D | 34 | Very low | 48.8 | Very low | 153 Ų | 153 | 99.9 Ų | 99.9 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | trans | -76.8 | 129.9 | -161.1 | -72.6 | -59.3 | 0 | 0 | 0 | 114.7 | ||||
| 115 | A | 33.8 | Very low | 51.5 | Low | 90 Ų | 90 | 101 Ų | 101 | 74% | 0.744 | 64% | 0.635 | S | S | * | * | trans | -155.9 | 73.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S117 | A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 2.88Å | ||
| 116 | S | 41.8 | Very low | 54 | Low | 111 Ų | 111 | 100 Ų | 100 | 78% | 0.776 | 62% | 0.615 | S | S | * | * | trans | -71.3 | 80.8 | 180 | -52 | 0 | 0 | 0 | 0 | 112.3 | L118 | S116-L118 PolarHBondContact O-N 3.3Š| ||
| 117 | S | 53.1 | Low | 56.7 | Low | 116 Ų | 116 | 100.4 Ų | 100.4 | 81% | 0.811 | 60% | 0.599 | S | S | * | * | trans | -73.3 | 113.9 | 170.4 | 41.8 | 0 | 0 | 0 | 0 | 111 | A115 | A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 2.88Å | ||
| 118 | L | 73 | Confident | 59 | Low | 89 Ų | 89 | 98 Ų | 98 | 47% | 0.466 | 59% | 0.585 | S | S | . | * | trans | -63.8 | 152.6 | 172 | -69.2 | 170.6 | 0 | 0 | 0 | 111.2 | S116 E122 T123 L126 | S116-L118 PolarHBondContact O-N 3.3Å; L118-E122 HydrophobicContact CB-CB 3.99Å; L118-E122 HydrophobicContact CD2-CB 4.42Å; L118-T123 HydrophobicContact CB-CG2 3.88Å; L118-L126 HydrophobicContact CD1-CD1 3.47Å; L118-L126 VanDerWaalsContact CD1-CD1 3.47Å | ||
| 119 | S | 78.6 | Confident | 61.4 | Low | 55 Ų | 55 | 101.8 Ų | 101.8 | 39% | 0.385 | 59% | 0.59 | S | S | . | * | trans | -62.8 | 163.4 | 179.8 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | E121 E122 T123 | S119-E121 PolarHBondContact O-N 3.01Å; S119-E122 VanDerWaalsContact CB-OE2 3.22Å; S119-E122 WeakPolarHBondContact CB-OE2 3.48Å; S119-E122 PolarHBondContact N-OE2 3.33Å; S119-E122 PolarHBondContact O-N 3.34Å; S119-E122 VanDerWaalsContact O-N 3.11Å; S119-E122 WeakPolarHBondContact OG-CB 3.42Å; S119-E122 VanDerWaalsContact OG-CD 3.25Å; S119-E122 VanDerWaalsContact OG-CG 3.26Å; S119-E122 WeakPolarHBondContact OG-CG 3.33Å; S119-E122 PolarHBondContact OG-N 3.02Å; S119-E122 PolarHBondContact OG-OE2 3.13Å; S119-T123 WeakPolarHBondContact O-CB 3.36Å; S119-T123 WeakPolarHBondContact O-CG2 3.35Å; S119-T123 PolarHBondContact O-N 3.24Å; S119-T123 PolarHBondContact O-OG1 3.44Å | ||
| 120 | I | 74.9 | Confident | 63.6 | Low | 100 Ų | 100 | 98.9 Ų | 98.9 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60 | -31.5 | 178.8 | -58.6 | 172.7 | 0 | 0 | 0 | 111.1 | T123 N124 L135 V137 | I120-T123 WeakPolarHBondContact CA-OG1 3.3Å; I120-T123 PolarHBondContact O-OG1 3Å; I120-T123 VanDerWaalsContact O-OG1 3.07Å; I120-N124 VanDerWaalsContact O-CB 3.27Å; I120-N124 WeakPolarHBondContact O-CB 3.23Å; I120-N124 VanDerWaalsContact O-CG 3.24Å; I120-N124 PolarHBondContact O-N 3.26Å; I120-L135 HydrophobicContact CG2-CD1 4.46Å; I120-V137 HydrophobicContact CG2-CG1 3.74Å |
| 121 | E | 76.4 | Confident | 65.3 | Low | 130 Ų | 130 | 96.7 Ų | 96.7 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.2 | -41.1 | 173.6 | -67 | -168.6 | -164.6 | 0 | 0 | 113.8 | S119 N124 K125 | S119-E121 PolarHBondContact O-N 3.01Å; E121-N124 CarbonylContact O-C 3.59Å; E121-N124 PolarHBondContact O-N 2.94Å; E121-K125 WeakPolarHBondContact O-CB 3.21Å; E121-K125 WeakPolarHBondContact O-CD 3.28Å; E121-K125 WeakPolarHBondContact O-CG 3.33Å; E121-K125 PolarHBondContact O-N 3.46Å; E121-K125 IonicContact OE2-NZ 3.97Å; E121-K125 PolarHBondContact OE2-NZ 2.6Å |
| 122 | E | 81.3 | Confident | 67.8 | Low | 87 Ų | 87 | 95.8 Ų | 95.8 | 41% | 0.407 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.2 | -39.9 | 179.5 | -71.5 | 163.3 | 131 | 0 | 0 | 111.5 | L118 S119 N124 K125 L126 | L118-E122 HydrophobicContact CB-CB 3.99Å; L118-E122 HydrophobicContact CD2-CB 4.42Å; S119-E122 VanDerWaalsContact CB-OE2 3.22Å; S119-E122 WeakPolarHBondContact CB-OE2 3.48Å; S119-E122 PolarHBondContact N-OE2 3.33Å; S119-E122 PolarHBondContact O-N 3.34Å; S119-E122 VanDerWaalsContact O-N 3.11Å; S119-E122 WeakPolarHBondContact OG-CB 3.42Å; S119-E122 VanDerWaalsContact OG-CD 3.25Å; S119-E122 VanDerWaalsContact OG-CG 3.26Å; S119-E122 WeakPolarHBondContact OG-CG 3.33Å; S119-E122 PolarHBondContact OG-N 3.02Å; S119-E122 PolarHBondContact OG-OE2 3.13Å; E122-N124 VanDerWaalsContact C-N 3.32Å; E122-N124 PolarHBondContact O-N 3.15Å; E122-K125 PolarHBondContact O-N 2.99Å; E122-L126 WeakPolarHBondContact O-CG 3.28Å; E122-L126 PolarHBondContact O-N 3.3Å |
| 123 | T | 81.4 | Confident | 70.1 | Confident | 50 Ų | 50 | 97.6 Ų | 97.6 | 31% | 0.307 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.6 | -38.1 | 169.5 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | L118 S119 I120 L126 R127 | L118-T123 HydrophobicContact CB-CG2 3.88Å; S119-T123 WeakPolarHBondContact O-CB 3.36Å; S119-T123 WeakPolarHBondContact O-CG2 3.35Å; S119-T123 PolarHBondContact O-N 3.24Å; S119-T123 PolarHBondContact O-OG1 3.44Å; I120-T123 WeakPolarHBondContact CA-OG1 3.3Å; I120-T123 PolarHBondContact O-OG1 3Å; I120-T123 VanDerWaalsContact O-OG1 3.07Å; T123-L126 PolarHBondContact O-N 3.37Å; T123-R127 VanDerWaalsContact O-CB 3.23Å; T123-R127 WeakPolarHBondContact O-CB 3.37Å; T123-R127 PolarHBondContact O-N 3.23Å |
| 124 | N | 84.5 | Confident | 72.3 | Confident | 26 Ų | 26 | 97.2 Ų | 97.2 | 14% | 0.139 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 170.6 | -83.8 | -10.3 | 0 | 0 | 0 | 113.5 | I120 E121 E122 L126 R127 A128 P134 L135 | I120-N124 VanDerWaalsContact O-CB 3.27Å; I120-N124 WeakPolarHBondContact O-CB 3.23Å; I120-N124 VanDerWaalsContact O-CG 3.24Å; I120-N124 PolarHBondContact O-N 3.26Å; E121-N124 CarbonylContact O-C 3.59Å; E121-N124 PolarHBondContact O-N 2.94Å; E122-N124 VanDerWaalsContact C-N 3.32Å; E122-N124 PolarHBondContact O-N 3.15Å; N124-L126 VanDerWaalsContact C-N 3.34Å; N124-R127 PolarHBondContact O-N 3.23Å; N124-A128 WeakPolarHBondContact O-CB 3.37Å; N124-A128 PolarHBondContact O-N 2.83Å; N124-P134 HydrophobicContact CB-CB 4.14Å; N124-L135 PolarHBondContact ND2-O 2.97Å; N124-L135 VanDerWaalsContact OD1-CB 3.31Å; N124-L135 WeakPolarHBondContact OD1-CB 3.24Å; N124-L135 PolarHBondContact OD1-N 3.01Å |
| 125 | K | 85.4 | Confident | 74.2 | Confident | 115 Ų | 115 | 93.9 Ų | 93.9 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.5 | -37.3 | 174.6 | -70.3 | 155.5 | -166.5 | 160.9 | 0 | 111.1 | E121 E122 K129 | E121-K125 WeakPolarHBondContact O-CB 3.21Å; E121-K125 WeakPolarHBondContact O-CD 3.28Å; E121-K125 WeakPolarHBondContact O-CG 3.33Å; E121-K125 PolarHBondContact O-N 3.46Å; E121-K125 IonicContact OE2-NZ 3.97Å; E121-K125 PolarHBondContact OE2-NZ 2.6Å; E122-K125 PolarHBondContact O-N 2.99Å; K125-K129 VanDerWaalsContact O-CG 3.32Å; K125-K129 WeakPolarHBondContact O-CG 3.33Å; K125-K129 PolarHBondContact O-N 3.49Å |
| 126 | L | 80.9 | Confident | 76 | Confident | 79 Ų | 79 | 96.3 Ų | 96.3 | 41% | 0.414 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 170.1 | -71.6 | 179.3 | 0 | 0 | 0 | 112.3 | L118 E122 T123 N124 A128 K129 L130 | L118-L126 HydrophobicContact CD1-CD1 3.47Å; L118-L126 VanDerWaalsContact CD1-CD1 3.47Å; E122-L126 WeakPolarHBondContact O-CG 3.28Å; E122-L126 PolarHBondContact O-N 3.3Å; T123-L126 PolarHBondContact O-N 3.37Å; N124-L126 VanDerWaalsContact C-N 3.34Å; L126-A128 VanDerWaalsContact C-N 3.35Å; L126-A128 PolarHBondContact O-N 3.21Å; L126-K129 CarbonylContact O-C 3.53Å; L126-K129 WeakPolarHBondContact O-CB 3.11Å; L126-K129 PolarHBondContact O-N 2.93Å; L126-K129 VanDerWaalsContact O-N 3.14Å; L126-L130 WeakPolarHBondContact O-CG 3.26Å; L126-L130 PolarHBondContact O-N 3.12Å |
| 127 | R | 84.8 | Confident | 77.1 | Confident | 94 Ų | 94 | 95.4 Ų | 95.4 | 36% | 0.355 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | -179.8 | -158.6 | 163.5 | -171.6 | -178.7 | -0.2 | 111.1 | T123 N124 L130 G131 L132 K133 | T123-R127 VanDerWaalsContact O-CB 3.23Å; T123-R127 WeakPolarHBondContact O-CB 3.37Å; T123-R127 PolarHBondContact O-N 3.23Å; N124-R127 PolarHBondContact O-N 3.23Å; R127-L130 CarbonylContact O-C 3.6Å; R127-L130 PolarHBondContact O-N 2.78Å; R127-G131 PolarHBondContact O-N 3.42Å; R127-L132 CarbonylContact C-O 3.59Å; R127-L132 HydrophobicContact CG-CB 3.38Å; R127-L132 HydrophobicContact CG-CD1 4.39Å; R127-L132 PolarHBondContact O-N 2.83Å; R127-K133 WeakPolarHBondContact CD-O 3.42Å; R127-K133 PolarHBondContact NE-O 2.85Å |
| 128 | A | 79.6 | Confident | 76.9 | Confident | 63 Ų | 63 | 97.7 Ų | 97.7 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N124 L126 L130 G131 | N124-A128 WeakPolarHBondContact O-CB 3.37Å; N124-A128 PolarHBondContact O-N 2.83Å; L126-A128 VanDerWaalsContact C-N 3.35Å; L126-A128 PolarHBondContact O-N 3.21Å; A128-L130 PolarHBondContact O-N 3.12Å; A128-G131 PolarHBondContact O-N 3.05Å |
| 129 | K | 83.6 | Confident | 75.5 | Confident | 174 Ų | 174 | 97.3 Ų | 97.3 | 76% | 0.757 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.7 | -24.3 | 174.5 | -75.5 | 175.8 | 178.9 | -175.9 | 0 | 113.6 | K125 L126 | K125-K129 VanDerWaalsContact O-CG 3.32Å; K125-K129 WeakPolarHBondContact O-CG 3.33Å; K125-K129 PolarHBondContact O-N 3.49Å; L126-K129 CarbonylContact O-C 3.53Å; L126-K129 WeakPolarHBondContact O-CB 3.11Å; L126-K129 PolarHBondContact O-N 2.93Å; L126-K129 VanDerWaalsContact O-N 3.14Å |
| 130 | L | 79.1 | Confident | 73.6 | Confident | 131 Ų | 131 | 102.2 Ų | 102.2 | 69% | 0.686 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 11.7 | 175.1 | -65.1 | 171.6 | 0 | 0 | 0 | 113.1 | L126 R127 A128 L132 | L126-L130 WeakPolarHBondContact O-CG 3.26Å; L126-L130 PolarHBondContact O-N 3.12Å; R127-L130 CarbonylContact O-C 3.6Å; R127-L130 PolarHBondContact O-N 2.78Å; A128-L130 PolarHBondContact O-N 3.12Å; L130-L132 HydrophobicContact CB-CD1 4.22Å; L130-L132 PolarHBondContact O-N 3.2Å |
| 131 | G | 71.5 | Confident | 72.3 | Confident | 75 Ų | 75 | 107.2 Ų | 107.2 | 77% | 0.773 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.4 | 12 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R127 A128 | R127-G131 PolarHBondContact O-N 3.42Å; A128-G131 PolarHBondContact O-N 3.05Å |
| 132 | L | 81.4 | Confident | 71 | Confident | 93 Ų | 93 | 110.3 Ų | 110.3 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -98.3 | 144 | -176.6 | -71 | 162.8 | 0 | 0 | 0 | 110.8 | R127 L130 | R127-L132 CarbonylContact C-O 3.59Å; R127-L132 HydrophobicContact CG-CB 3.38Å; R127-L132 HydrophobicContact CG-CD1 4.39Å; R127-L132 PolarHBondContact O-N 2.83Å; L130-L132 HydrophobicContact CB-CD1 4.22Å; L130-L132 PolarHBondContact O-N 3.2Å |
| 133 | K | 81.3 | Confident | 69.1 | Low | 143 Ų | 143 | 114.7 Ų | 114.7 | 62% | 0.622 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 130.4 | 177.8 | -169.2 | -175.9 | 177.7 | -170.5 | 0 | 110.7 | R127 E136 | R127-K133 WeakPolarHBondContact CD-O 3.42Å; R127-K133 PolarHBondContact NE-O 2.85Å; K133-E136 WeakPolarHBondContact CE-OE1 3.18Å; K133-E136 IonicContact NZ-OE1 2.92Å; K133-E136 PolarHBondContact NZ-OE1 2.82Å |
| 134 | P | 77.9 | Confident | 67.2 | Low | 68 Ų | 68 | 116.9 Ų | 116.9 | 44% | 0.442 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 156.2 | 177 | 26.5 | -34.9 | 0 | 0 | 0 | 112.5 | N124 E136 | N124-P134 HydrophobicContact CB-CB 4.14Å; P134-E136 PolarHBondContact O-N 2.99Å |
| 135 | L | 74.3 | Confident | 64.7 | Low | 83 Ų | 83 | 119.2 Ų | 119.2 | 44% | 0.435 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 124.5 | 170.6 | -66.9 | 164.3 | 0 | 0 | 0 | 110 | I120 N124 V137 | I120-L135 HydrophobicContact CG2-CD1 4.46Å; N124-L135 PolarHBondContact ND2-O 2.97Å; N124-L135 VanDerWaalsContact OD1-CB 3.31Å; N124-L135 WeakPolarHBondContact OD1-CB 3.24Å; N124-L135 PolarHBondContact OD1-N 3.01Å; L135-V137 PolarHBondContact O-N 2.79Å |
| 136 | E | 71.9 | Confident | 62.5 | Low | 140 Ų | 140 | 120.3 Ų | 120.3 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | trans | -75.5 | 107.3 | 173.8 | -72.6 | 164.4 | -166.9 | 0 | 0 | 109.6 | K133 P134 | K133-E136 WeakPolarHBondContact CE-OE1 3.18Å; K133-E136 IonicContact NZ-OE1 2.92Å; K133-E136 PolarHBondContact NZ-OE1 2.82Å; P134-E136 PolarHBondContact O-N 2.99Å | ||
| 137 | V | 63.7 | Low | 60.6 | Low | 92 Ų | 92 | 125.1 Ų | 125.1 | 56% | 0.558 | 69% | 0.686 | S | S | * | * | trans | -83.4 | 125.3 | 168 | -74.7 | 0 | 0 | 0 | 0 | 109.1 | I120 L135 | I120-V137 HydrophobicContact CG2-CG1 3.74Å; L135-V137 PolarHBondContact O-N 2.79Å | ||
| 138 | N | 49.8 | Very low | 58.5 | Low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 74.4 | 61.8 | 175.5 | -48 | -40.7 | 0 | 0 | 0 | 118 | ||
| 139 | A | 43.5 | Very low | 56.5 | Low | 82 Ų | 82 | 133.2 Ų | 133.2 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | -161.7 | 122.8 | 140.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 140 | I | 39.1 | Very low | 54.7 | Low | 157 Ų | 157 | 130.3 Ų | 130.3 | 81% | 0.805 | 72% | 0.717 | S | S | * | * | trans | -115.6 | 90.2 | 163.7 | -55.1 | -178.4 | 0 | 0 | 0 | 108.8 | K142 | I140-K142 HydrophobicContact CG2-CG 4.27Š| ||
| 141 | K | 46.1 | Very low | 53.3 | Low | 206 Ų | 206 | 129.9 Ų | 129.9 | 90% | 0.896 | 72% | 0.719 | S | S | * | * | trans | -97.5 | 129.4 | 143.5 | -76.3 | -172.5 | 173.9 | -174.1 | 0 | 107 | ||||
| 142 | K | 49.8 | Very low | 52.3 | Low | 195 Ų | 195 | 131.9 Ų | 131.9 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | -135.2 | 128.2 | 167.8 | -82.1 | -169.6 | 173.2 | -175.1 | 0 | 109.2 | I140 | I140-K142 HydrophobicContact CG2-CG 4.27Š| ||
| 143 | E | 41.4 | Very low | 50.7 | Low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 72% | 0.72 | S | S | * | * | trans | -82.6 | 156.5 | 174 | -80.5 | -66.1 | 159.1 | 0 | 0 | 111.8 | ||||
| 144 | A | 42.4 | Very low | 49.5 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 73% | 0.728 | S | S | * | * | trans | 37.4 | 117.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 145 | G | 31.1 | Very low | 48.6 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | -164.6 | 31.1 | 174 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 146 | T | 40 | Very low | 48.2 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | 9.2 | 101.5 | 172.7 | 55.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 147 | K | 39.6 | Very low | 48.1 | Very low | 179 Ų | 179 | 133.9 Ų | 133.9 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | -171.8 | 138.7 | 122.7 | -106.1 | -179.1 | 176.2 | -154.6 | 0 | 113.5 | |||||
| 148 | E | 41.1 | Very low | 48.6 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | 38.1 | 92.9 | 147.9 | -64.9 | 161.2 | -115.3 | 0 | 0 | 118.7 | ||||
| 149 | E | 37.3 | Very low | 49.9 | Very low | 172 Ų | 172 | 130.1 Ų | 130.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | -174.1 | 113.2 | 108.7 | -101.5 | -178.8 | -171 | 0 | 0 | 109.7 | V151 | E149-V151 PolarHBondContact O-N 2.97Å; E149-V151 VanDerWaalsContact O-N 3.14Å | |||
| 150 | P | 46.4 | Very low | 51.9 | Low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 72% | 0.715 | S | S | * | * | trans | -75.2 | 102.6 | 169.9 | 30.7 | -30.5 | 0 | 0 | 0 | 108.4 | T152 | P150-T152 PolarHBondContact O-N 3.43Š| ||
| 151 | V | 49.1 | Very low | 53.9 | Low | 122 Ų | 122 | 125.9 Ų | 125.9 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | trans | -72.8 | 74.8 | 171 | -175 | 0 | 0 | 0 | 0 | 108.9 | E149 A153 | E149-V151 PolarHBondContact O-N 2.97Å; E149-V151 VanDerWaalsContact O-N 3.14Å; V151-A153 HydrophobicContact CG1-CB 4Å; V151-A153 PolarHBondContact O-N 3.2Å | ||
| 152 | T | 51.5 | Low | 56 | Low | 117 Ų | 117 | 122.8 Ų | 122.8 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | trans | -72.6 | 62.7 | 159.1 | 55.6 | 0 | 0 | 0 | 0 | 108.5 | P150 D154 | P150-T152 PolarHBondContact O-N 3.43Å; T152-D154 PolarHBondContact O-N 3.41Å | ||
| 153 | A | 48 | Very low | 57.9 | Low | 67 Ų | 67 | 118.5 Ų | 118.5 | 55% | 0.554 | 67% | 0.667 | S | S | * | * | trans | -65.7 | 117.4 | 154.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | V151 V155 | V151-A153 HydrophobicContact CG1-CB 4Å; V151-A153 PolarHBondContact O-N 3.2Å; A153-V155 PolarHBondContact O-N 2.8Å | ||
| 154 | D | 54.7 | Low | 60.2 | Low | 150 Ų | 150 | 119.3 Ų | 119.3 | 80% | 0.802 | 66% | 0.662 | S | S | * | * | trans | -55.7 | 108.1 | -174.8 | -62 | -61.5 | 0 | 0 | 0 | 110 | T152 I156 | T152-D154 PolarHBondContact O-N 3.41Å; D154-I156 VanDerWaalsContact C-N 3.29Å; D154-I156 PolarHBondContact O-N 3.47Å | ||
| 155 | V | 60.7 | Low | 62.5 | Low | 121 Ų | 121 | 120 Ų | 120 | 73% | 0.733 | 65% | 0.648 | S | S | * | * | trans | -67.8 | 97.9 | 171.3 | 178.2 | 0 | 0 | 0 | 0 | 105.6 | A153 N157 | A153-V155 PolarHBondContact O-N 2.8Å; V155-N157 PolarHBondContact O-N 3.27Å | ||
| 156 | I | 64.8 | Low | 65.6 | Low | 120 Ų | 120 | 120.5 Ų | 120.5 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | trans | -49 | 105.2 | 177.7 | -60.8 | 169.5 | 0 | 0 | 0 | 107 | D154 P158 | D154-I156 VanDerWaalsContact C-N 3.29Å; D154-I156 PolarHBondContact O-N 3.47Å; I156-P158 WeakPolarHBondContact O-CD 3.29Å | ||
| 157 | N | 69 | Low | 68.2 | Low | 111 Ų | 111 | 118.9 Ų | 118.9 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | trans | -58.5 | 108.7 | -171 | -90.1 | -44.3 | 0 | 0 | 0 | 108.6 | V155 M159 A160 L161 | V155-N157 PolarHBondContact O-N 3.27Å; N157-M159 PolarHBondContact O-N 3.37Å; N157-M159 VanDerWaalsContact O-N 3.11Å; N157-A160 HydrophobicContact CB-CB 4.09Å; N157-A160 WeakPolarHBondContact O-CB 3.27Å; N157-A160 PolarHBondContact O-N 3.47Å; N157-L161 PolarHBondContact O-N 2.92Å | ||
| 158 | P | 74.2 | Confident | 70.8 | Confident | 69 Ų | 69 | 119.9 Ų | 119.9 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67 | -20.9 | -174.2 | 27.8 | -34.6 | 0 | 0 | 0 | 111 | I156 R162 | I156-P158 WeakPolarHBondContact O-CD 3.29Å; P158-R162 WeakPolarHBondContact O-CB 3.29Å; P158-R162 VanDerWaalsContact O-CG 3.3Å; P158-R162 WeakPolarHBondContact O-CG 3.36Å; P158-R162 PolarHBondContact O-N 3.37Å; P158-R162 VanDerWaalsContact O-N 3.08Å |
| 159 | M | 77.8 | Confident | 73.4 | Confident | 108 Ų | 108 | 119.1 Ų | 119.1 | 53% | 0.532 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62.5 | -41.9 | 169.2 | -60.2 | -54.1 | -62.5 | 0 | 0 | 112.5 | N157 R162 Q163 | N157-M159 PolarHBondContact O-N 3.37Å; N157-M159 VanDerWaalsContact O-N 3.11Å; M159-R162 PolarHBondContact O-N 2.84Å; M159-Q163 VanDerWaalsContact O-CB 3.29Å; M159-Q163 WeakPolarHBondContact O-CB 3.44Å; M159-Q163 WeakPolarHBondContact O-CG 3.29Å; M159-Q163 PolarHBondContact O-N 2.83Å; M159-Q163 PolarHBondContact O-OE1 3.47Å |
| 160 | A | 85.1 | Confident | 76.2 | Confident | 54 Ų | 54 | 116.6 Ų | 116.6 | 45% | 0.446 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.6 | -34.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | N157 R164 | N157-A160 HydrophobicContact CB-CB 4.09Å; N157-A160 WeakPolarHBondContact O-CB 3.27Å; N157-A160 PolarHBondContact O-N 3.47Å; A160-R164 WeakPolarHBondContact O-CB 3.37Å; A160-R164 PolarHBondContact O-N 2.89Å; A160-R164 VanDerWaalsContact O-N 3.1Å |
| 161 | L | 82.8 | Confident | 78.6 | Confident | 95 Ų | 95 | 116.8 Ų | 116.8 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.5 | -48 | 173 | -149.6 | 80.1 | 0 | 0 | 0 | 110.8 | N157 Q163 R164 E165 | N157-L161 PolarHBondContact O-N 2.92Å; L161-Q163 PolarHBondContact O-N 2.88Å; L161-R164 WeakPolarHBondContact O-CB 3.35Å; L161-R164 PolarHBondContact O-N 2.83Å; L161-R164 VanDerWaalsContact O-N 3.12Å; L161-E165 WeakPolarHBondContact O-CG 3.21Å; L161-E165 PolarHBondContact O-N 3.2Å |
| 162 | R | 88.4 | Confident | 80.8 | Confident | 142 Ų | 142 | 112.9 Ų | 112.9 | 54% | 0.536 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.3 | -42.5 | 176 | -74.6 | 173.2 | -179.4 | 157.1 | 0.8 | 113 | P158 M159 R164 E165 E166 | P158-R162 WeakPolarHBondContact O-CB 3.29Å; P158-R162 VanDerWaalsContact O-CG 3.3Å; P158-R162 WeakPolarHBondContact O-CG 3.36Å; P158-R162 PolarHBondContact O-N 3.37Å; P158-R162 VanDerWaalsContact O-N 3.08Å; M159-R162 PolarHBondContact O-N 2.84Å; R162-R164 VanDerWaalsContact C-N 3.27Å; R162-R164 PolarHBondContact O-N 3.36Å; R162-E165 CarbonylContact O-C 3.48Å; R162-E165 WeakPolarHBondContact O-CB 3.38Å; R162-E165 PolarHBondContact O-N 2.61Å; R162-E165 VanDerWaalsContact O-N 3.11Å; R162-E166 WeakPolarHBondContact O-CB 3.34Å; R162-E166 WeakPolarHBondContact O-CG 3.48Å; R162-E166 PolarHBondContact O-N 3.07Å |
| 163 | Q | 90.8 | Very high | 82.9 | Confident | 105 Ų | 105 | 109.3 Ų | 109.3 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.6 | -37.4 | 174.8 | -76.6 | 165.4 | -21.3 | 0 | 0 | 111.6 | M159 L161 L167 | M159-Q163 VanDerWaalsContact O-CB 3.29Å; M159-Q163 WeakPolarHBondContact O-CB 3.44Å; M159-Q163 WeakPolarHBondContact O-CG 3.29Å; M159-Q163 PolarHBondContact O-N 2.83Å; M159-Q163 PolarHBondContact O-OE1 3.47Å; L161-Q163 PolarHBondContact O-N 2.88Å; Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CG 3.49Å; Q163-L167 PolarHBondContact O-N 2.8Å |
| 164 | R | 88.9 | Confident | 85.2 | Confident | 195 Ų | 195 | 108.7 Ų | 108.7 | 74% | 0.736 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.8 | -37.1 | 173.4 | -174.1 | 178.6 | -177.7 | 173.5 | 2.7 | 112.5 | A160 L161 R162 R168 | A160-R164 WeakPolarHBondContact O-CB 3.37Å; A160-R164 PolarHBondContact O-N 2.89Å; A160-R164 VanDerWaalsContact O-N 3.1Å; L161-R164 WeakPolarHBondContact O-CB 3.35Å; L161-R164 PolarHBondContact O-N 2.83Å; L161-R164 VanDerWaalsContact O-N 3.12Å; R162-R164 VanDerWaalsContact C-N 3.27Å; R162-R164 PolarHBondContact O-N 3.36Å; R164-R168 WeakPolarHBondContact O-CB 3.21Å; R164-R168 PolarHBondContact O-N 2.8Å |
| 165 | E | 91.8 | Very high | 87.2 | Confident | 110 Ų | 110 | 108.4 Ų | 108.4 | 51% | 0.514 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.6 | -48.1 | 175.2 | -70.9 | 163.6 | 169.3 | 0 | 0 | 111.1 | L161 R162 L167 R168 E169 | L161-E165 WeakPolarHBondContact O-CG 3.21Å; L161-E165 PolarHBondContact O-N 3.2Å; R162-E165 CarbonylContact O-C 3.48Å; R162-E165 WeakPolarHBondContact O-CB 3.38Å; R162-E165 PolarHBondContact O-N 2.61Å; R162-E165 VanDerWaalsContact O-N 3.11Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 2.83Å; E165-R168 CarbonylContact O-C 3.25Å; E165-R168 WeakPolarHBondContact O-CA 3.39Å; E165-R168 WeakPolarHBondContact O-CB 3.47Å; E165-R168 PolarHBondContact O-N 3.41Å; E165-E169 PolarHBondContact O-N 3.09Å |
| 166 | E | 94.9 | Very high | 88.8 | Confident | 85 Ų | 85 | 108.5 Ų | 108.5 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.9 | -40.5 | 172.8 | -73.9 | 177.8 | -140.1 | 0 | 0 | 112.5 | R162 E169 K170 | R162-E166 WeakPolarHBondContact O-CB 3.34Å; R162-E166 WeakPolarHBondContact O-CG 3.48Å; R162-E166 PolarHBondContact O-N 3.07Å; E166-E169 PolarHBondContact O-N 3.43Å; E166-K170 WeakPolarHBondContact O-CB 3.46Å; E166-K170 VanDerWaalsContact O-CD 3.25Å; E166-K170 WeakPolarHBondContact O-CD 3.49Å; E166-K170 WeakPolarHBondContact O-CG 3.33Å; E166-K170 PolarHBondContact O-N 3.35Å; E166-K170 IonicContact OE2-NZ 2.63Å; E166-K170 PolarHBondContact OE2-NZ 3.4Å |
| 167 | L | 94.4 | Very high | 90.3 | Very high | 105 Ų | 105 | 109.7 Ų | 109.7 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 174.9 | -75.8 | 170.2 | 0 | 0 | 0 | 111.4 | Q163 E165 K170 L171 | Q163-L167 WeakPolarHBondContact O-CB 3.46Å; Q163-L167 WeakPolarHBondContact O-CG 3.49Å; Q163-L167 PolarHBondContact O-N 2.8Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 2.83Å; L167-K170 PolarHBondContact O-N 3.38Å; L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 2.89Å |
| 168 | R | 94.6 | Very high | 91.4 | Very high | 201 Ų | 201 | 112.8 Ų | 112.8 | 76% | 0.758 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -39.3 | 173.9 | -174.1 | 176.1 | -178.2 | 144.1 | 4.5 | 111.8 | R164 E165 L171 A172 | R164-R168 WeakPolarHBondContact O-CB 3.21Å; R164-R168 PolarHBondContact O-N 2.8Å; E165-R168 CarbonylContact O-C 3.25Å; E165-R168 WeakPolarHBondContact O-CA 3.39Å; E165-R168 WeakPolarHBondContact O-CB 3.47Å; E165-R168 PolarHBondContact O-N 3.41Å; R168-L171 PolarHBondContact O-N 2.85Å; R168-A172 WeakPolarHBondContact O-CB 3.32Å; R168-A172 PolarHBondContact O-N 2.69Å |
| 169 | E | 96.4 | Very high | 92.4 | Very high | 138 Ų | 138 | 113.8 Ų | 113.8 | 65% | 0.645 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 174.3 | -173.1 | -177.4 | -179 | 0 | 0 | 111.3 | E165 E166 L171 A172 A173 | E165-E169 PolarHBondContact O-N 3.09Å; E166-E169 PolarHBondContact O-N 3.43Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.12Å; E169-A172 WeakPolarHBondContact O-CB 3.49Å; E169-A172 PolarHBondContact O-N 2.92Å; E169-A172 VanDerWaalsContact O-N 3.1Å; E169-A173 PolarHBondContact O-N 3.08Å |
| 170 | K | 97.1 | Very high | 93 | Very high | 119 Ų | 119 | 113.2 Ų | 113.2 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.4 | -40 | 174.2 | -71.4 | 158.2 | -166 | 160.5 | 0 | 111.7 | E166 L167 A174 | E166-K170 WeakPolarHBondContact O-CB 3.46Å; E166-K170 VanDerWaalsContact O-CD 3.25Å; E166-K170 WeakPolarHBondContact O-CD 3.49Å; E166-K170 WeakPolarHBondContact O-CG 3.33Å; E166-K170 PolarHBondContact O-N 3.35Å; E166-K170 IonicContact OE2-NZ 2.63Å; E166-K170 PolarHBondContact OE2-NZ 3.4Å; L167-K170 PolarHBondContact O-N 3.38Å; K170-A174 WeakPolarHBondContact O-CB 3.23Å; K170-A174 PolarHBondContact O-N 3.16Å |
| 171 | L | 95.3 | Very high | 93.3 | Very high | 118 Ų | 118 | 116 Ų | 116 | 62% | 0.618 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.9 | -34.9 | 174.2 | -72.6 | 170.7 | 0 | 0 | 0 | 113.2 | L167 R168 E169 A174 K175 | L167-L171 WeakPolarHBondContact O-CB 3.32Å; L167-L171 VanDerWaalsContact O-CG 3.27Å; L167-L171 WeakPolarHBondContact O-CG 3.35Å; L167-L171 PolarHBondContact O-N 2.89Å; R168-L171 PolarHBondContact O-N 2.85Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.12Å; L171-A174 PolarHBondContact O-N 3.07Å; L171-K175 WeakPolarHBondContact O-CG 3.4Å; L171-K175 PolarHBondContact O-N 3.26Å |
| 172 | A | 95.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 115.8 Ų | 115.8 | 34% | 0.339 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65 | -50.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R168 E169 A174 K175 E176 | R168-A172 WeakPolarHBondContact O-CB 3.32Å; R168-A172 PolarHBondContact O-N 2.69Å; E169-A172 WeakPolarHBondContact O-CB 3.49Å; E169-A172 PolarHBondContact O-N 2.92Å; E169-A172 VanDerWaalsContact O-N 3.1Å; A172-A174 VanDerWaalsContact C-N 3.26Å; A172-A174 PolarHBondContact O-N 3.42Å; A172-K175 CarbonylContact O-C 3.58Å; A172-K175 WeakPolarHBondContact O-CA 3.37Å; A172-K175 WeakPolarHBondContact O-CB 3.41Å; A172-K175 PolarHBondContact O-N 3.02Å; A172-E176 WeakPolarHBondContact O-CG 3.36Å; A172-E176 PolarHBondContact O-N 2.99Å |
| 173 | A | 96.4 | Very high | 93.8 | Very high | 41 Ų | 41 | 115.2 Ų | 115.2 | 34% | 0.339 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.4 | -33.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E169 K177 | E169-A173 PolarHBondContact O-N 3.08Å; A173-K177 WeakPolarHBondContact O-CB 2.96Å; A173-K177 VanDerWaalsContact O-CG 3.3Å; A173-K177 WeakPolarHBondContact O-CG 3.27Å; A173-K177 PolarHBondContact O-N 3.14Å |
| 174 | A | 95.8 | Very high | 93.5 | Very high | 54 Ų | 54 | 115.7 Ų | 115.7 | 45% | 0.446 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -69.2 | -40.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | K170 L171 A172 R178 | K170-A174 WeakPolarHBondContact O-CB 3.23Å; K170-A174 PolarHBondContact O-N 3.16Å; L171-A174 PolarHBondContact O-N 3.07Å; A172-A174 VanDerWaalsContact C-N 3.26Å; A172-A174 PolarHBondContact O-N 3.42Å; A174-R178 PolarHBondContact O-N 2.68Å |
| 175 | K | 95.8 | Very high | 93.2 | Very high | 145 Ų | 145 | 109.8 Ų | 109.8 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 171.8 | -77.8 | -176.6 | 173 | -165.5 | 0 | 111.5 | L171 A172 R178 L179 | L171-K175 WeakPolarHBondContact O-CG 3.4Å; L171-K175 PolarHBondContact O-N 3.26Å; A172-K175 CarbonylContact O-C 3.58Å; A172-K175 WeakPolarHBondContact O-CA 3.37Å; A172-K175 WeakPolarHBondContact O-CB 3.41Å; A172-K175 PolarHBondContact O-N 3.02Å; K175-R178 PolarHBondContact O-N 3.17Å; K175-L179 WeakPolarHBondContact O-CB 3.27Å; K175-L179 WeakPolarHBondContact O-CG 3.48Å; K175-L179 PolarHBondContact O-N 3.14Å |
| 176 | E | 94.9 | Very high | 92.8 | Very high | 122 Ų | 122 | 112.8 Ų | 112.8 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.1 | -44.2 | 176.9 | -74.2 | 173.2 | -173.8 | 0 | 0 | 111.6 | A172 R178 L179 L180 | A172-E176 WeakPolarHBondContact O-CG 3.36Å; A172-E176 PolarHBondContact O-N 2.99Å; E176-R178 PolarHBondContact O-N 3.01Å; E176-L179 CarbonylContact O-C 3.57Å; E176-L179 PolarHBondContact O-N 3.35Å; E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 WeakPolarHBondContact O-CG 3.42Å; E176-L180 PolarHBondContact O-N 3.28Å |
| 177 | K | 95.8 | Very high | 92.3 | Very high | 146 Ų | 146 | 114.2 Ų | 114.2 | 64% | 0.635 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.6 | -43.6 | 171.6 | -76.6 | 176.6 | 176.2 | -173.6 | 0 | 112.2 | A173 L179 L180 N181 | A173-K177 WeakPolarHBondContact O-CB 2.96Å; A173-K177 VanDerWaalsContact O-CG 3.3Å; A173-K177 WeakPolarHBondContact O-CG 3.27Å; A173-K177 PolarHBondContact O-N 3.14Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 2.87Å; K177-L180 PolarHBondContact O-N 3.16Å; K177-N181 WeakPolarHBondContact O-CB 3.3Å; K177-N181 VanDerWaalsContact O-CG 3.28Å; K177-N181 PolarHBondContact O-N 3.06Å; K177-N181 PolarHBondContact O-OD1 3.37Å; K177-N181 VanDerWaalsContact O-OD1 3.12Å |
| 178 | R | 93.2 | Very high | 91.3 | Very high | 175 Ų | 175 | 115.7 Ų | 115.7 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.1 | -40.4 | 174.8 | -172.2 | 176.8 | -179.5 | -179.4 | 0.9 | 112 | A174 K175 E176 N181 Q182 | A174-R178 PolarHBondContact O-N 2.68Å; K175-R178 PolarHBondContact O-N 3.17Å; E176-R178 PolarHBondContact O-N 3.01Å; R178-N181 PolarHBondContact O-N 3.45Å; R178-Q182 WeakPolarHBondContact O-CB 3.21Å; R178-Q182 VanDerWaalsContact O-CG 3.31Å; R178-Q182 WeakPolarHBondContact O-CG 3.1Å; R178-Q182 PolarHBondContact O-N 3.17Å |
| 179 | L | 94.1 | Very high | 90.6 | Very high | 90 Ų | 90 | 110.4 Ų | 110.4 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.2 | -35.7 | 176.4 | -72.6 | 169.2 | 0 | 0 | 0 | 112.5 | K175 E176 K177 Q182 K183 | K175-L179 WeakPolarHBondContact O-CB 3.27Å; K175-L179 WeakPolarHBondContact O-CG 3.48Å; K175-L179 PolarHBondContact O-N 3.14Å; E176-L179 CarbonylContact O-C 3.57Å; E176-L179 PolarHBondContact O-N 3.35Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 2.87Å; L179-Q182 PolarHBondContact O-N 2.95Å; L179-K183 WeakPolarHBondContact O-CB 3.12Å; L179-K183 VanDerWaalsContact O-CG 3.24Å; L179-K183 WeakPolarHBondContact O-CG 3.42Å; L179-K183 PolarHBondContact O-N 3.35Å |
| 180 | L | 92 | Very high | 89.2 | Confident | 97 Ų | 97 | 112.1 Ų | 112.1 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.8 | -45.7 | 172.6 | -74.3 | 170.3 | 0 | 0 | 0 | 110.8 | E176 K177 Q182 K183 L184 | E176-L180 WeakPolarHBondContact O-CB 3.47Å; E176-L180 WeakPolarHBondContact O-CG 3.42Å; E176-L180 PolarHBondContact O-N 3.28Å; K177-L180 PolarHBondContact O-N 3.16Å; L180-Q182 VanDerWaalsContact C-N 3.3Å; L180-Q182 PolarHBondContact O-N 2.89Å; L180-K183 CarbonylContact O-C 3.55Å; L180-K183 WeakPolarHBondContact O-CA 3.47Å; L180-K183 WeakPolarHBondContact O-CB 3.25Å; L180-K183 PolarHBondContact O-N 3.42Å; L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.33Å |
| 181 | N | 91.4 | Very high | 87.9 | Confident | 113 Ų | 113 | 109 Ų | 109 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.7 | -38.3 | 174.8 | -67.1 | 14.7 | 0 | 0 | 0 | 111.7 | K177 R178 K183 L184 G185 | K177-N181 WeakPolarHBondContact O-CB 3.3Å; K177-N181 VanDerWaalsContact O-CG 3.28Å; K177-N181 PolarHBondContact O-N 3.06Å; K177-N181 PolarHBondContact O-OD1 3.37Å; K177-N181 VanDerWaalsContact O-OD1 3.12Å; R178-N181 PolarHBondContact O-N 3.45Å; N181-K183 VanDerWaalsContact C-N 3.34Å; N181-L184 PolarHBondContact O-N 3.44Å; N181-G185 PolarHBondContact O-N 2.98Å |
| 182 | Q | 89.8 | Confident | 86.3 | Confident | 90 Ų | 90 | 107.3 Ų | 107.3 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.6 | -27.4 | 171.9 | -76.8 | 177.8 | -14.8 | 0 | 0 | 113.9 | R178 L179 L180 K186 | R178-Q182 WeakPolarHBondContact O-CB 3.21Å; R178-Q182 VanDerWaalsContact O-CG 3.31Å; R178-Q182 WeakPolarHBondContact O-CG 3.1Å; R178-Q182 PolarHBondContact O-N 3.17Å; L179-Q182 PolarHBondContact O-N 2.95Å; L180-Q182 VanDerWaalsContact C-N 3.3Å; L180-Q182 PolarHBondContact O-N 2.89Å; Q182-K186 WeakPolarHBondContact O-CB 3.41Å; Q182-K186 WeakPolarHBondContact O-CD 3.43Å; Q182-K186 WeakPolarHBondContact O-CG 3.39Å; Q182-K186 PolarHBondContact O-N 3.17Å |
| 183 | K | 90.3 | Very high | 84.6 | Confident | 129 Ų | 129 | 111.4 Ų | 111.4 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -76.2 | -41.9 | 172.6 | -76.6 | 167.9 | -179.1 | -178 | 0 | 111 | L179 L180 N181 K186 I187 | L179-K183 WeakPolarHBondContact O-CB 3.12Å; L179-K183 VanDerWaalsContact O-CG 3.24Å; L179-K183 WeakPolarHBondContact O-CG 3.42Å; L179-K183 PolarHBondContact O-N 3.35Å; L180-K183 CarbonylContact O-C 3.55Å; L180-K183 WeakPolarHBondContact O-CA 3.47Å; L180-K183 WeakPolarHBondContact O-CB 3.25Å; L180-K183 PolarHBondContact O-N 3.42Å; N181-K183 VanDerWaalsContact C-N 3.34Å; K183-K186 CarbonylContact O-C 3.59Å; K183-K186 WeakPolarHBondContact O-CA 3.37Å; K183-K186 PolarHBondContact O-N 2.66Å; K183-I187 WeakPolarHBondContact O-CG1 3.49Å; K183-I187 PolarHBondContact O-N 2.76Å |
| 184 | L | 85.3 | Confident | 82.9 | Confident | 115 Ų | 115 | 113.4 Ų | 113.4 | 60% | 0.602 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -59.8 | -46.6 | 174.1 | -69.1 | 168.1 | 0 | 0 | 0 | 110.8 | L180 N181 K186 I187 | L180-L184 WeakPolarHBondContact O-CG 3.44Å; L180-L184 PolarHBondContact O-N 3.33Å; N181-L184 PolarHBondContact O-N 3.44Å; L184-K186 PolarHBondContact O-N 3.12Å; L184-K186 VanDerWaalsContact O-N 3.12Å; L184-I187 HydrophobicContact CD2-CD1 4.47Å; L184-I187 PolarHBondContact O-N 2.81Å |
| 185 | G | 83.3 | Confident | 81.3 | Confident | 71 Ų | 71 | 117.5 Ų | 117.5 | 73% | 0.732 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 4.4 | 172 | 0 | 0 | 0 | 0 | 0 | 116 | N181 | N181-G185 PolarHBondContact O-N 2.98Š|
| 186 | K | 82.8 | Confident | 79.5 | Confident | 174 Ų | 174 | 113.2 Ų | 113.2 | 76% | 0.757 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -11.8 | 171.7 | -78.8 | 176.4 | 179.9 | -173.6 | 0 | 113.1 | Q182 K183 L184 | Q182-K186 WeakPolarHBondContact O-CB 3.41Å; Q182-K186 WeakPolarHBondContact O-CD 3.43Å; Q182-K186 WeakPolarHBondContact O-CG 3.39Å; Q182-K186 PolarHBondContact O-N 3.17Å; K183-K186 CarbonylContact O-C 3.59Å; K183-K186 WeakPolarHBondContact O-CA 3.37Å; K183-K186 PolarHBondContact O-N 2.66Å; L184-K186 PolarHBondContact O-N 3.12Å; L184-K186 VanDerWaalsContact O-N 3.12Å |
| 187 | I | 83 | Confident | 77.6 | Confident | 114 Ų | 114 | 114.1 Ų | 114.1 | 59% | 0.585 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -77.5 | 124.3 | 169.3 | -71 | 162 | 0 | 0 | 0 | 105.7 | K183 L184 T189 | K183-I187 WeakPolarHBondContact O-CG1 3.49Å; K183-I187 PolarHBondContact O-N 2.76Å; L184-I187 HydrophobicContact CD2-CD1 4.47Å; L184-I187 PolarHBondContact O-N 2.81Å; I187-T189 PolarHBondContact O-N 2.75Å |
| 188 | K | 74 | Confident | 75.8 | Confident | 136 Ų | 136 | 114.8 Ų | 114.8 | 59% | 0.591 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 132.1 | 173.3 | -75.5 | -166.3 | 156.7 | -155.5 | 0 | 109.8 | E192 | K188-E192 HydrophobicContact CB-CB 4.33Å; K188-E192 HydrophobicContact CD-CB 4.33Å; K188-E192 WeakPolarHBondContact CG-OE2 3.48Å |
| 189 | T | 79.4 | Confident | 74.7 | Confident | 90 Ų | 90 | 111.2 Ų | 111.2 | 55% | 0.552 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 150.5 | 173.5 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | I187 G191 E192 | I187-T189 PolarHBondContact O-N 2.75Å; T189-G191 PolarHBondContact O-N 2.82Å; T189-E192 WeakPolarHBondContact CB-OE1 3.05Å; T189-E192 WeakPolarHBondContact CG2-OE1 3.47Å; T189-E192 PolarHBondContact N-OE1 2.81Å; T189-E192 PolarHBondContact O-N 3.43Å; T189-E192 PolarHBondContact OG1-OE1 2.89Å |
| 190 | L | 67.9 | Low | 73.8 | Confident | 174 Ų | 174 | 112.3 Ų | 112.3 | 91% | 0.911 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 18.4 | -179.8 | -66.2 | 168.7 | 0 | 0 | 0 | 114 | ||
| 191 | G | 69.8 | Low | 73.1 | Confident | 53 Ų | 53 | 110.3 Ų | 110.3 | 55% | 0.546 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.9 | -0.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114 | T189 | T189-G191 PolarHBondContact O-N 2.82Š|
| 192 | E | 62 | Low | 72.5 | Confident | 84 Ų | 84 | 106.1 Ų | 106.1 | 39% | 0.393 | 59% | 0.589 | S | S | . | * | trans | -94.1 | 11.6 | 179.2 | -72.6 | 164.8 | -121.6 | 0 | 0 | 113.9 | K188 T189 D194 | K188-E192 HydrophobicContact CB-CB 4.33Å; K188-E192 HydrophobicContact CD-CB 4.33Å; K188-E192 WeakPolarHBondContact CG-OE2 3.48Å; T189-E192 WeakPolarHBondContact CB-OE1 3.05Å; T189-E192 WeakPolarHBondContact CG2-OE1 3.47Å; T189-E192 PolarHBondContact N-OE1 2.81Å; T189-E192 PolarHBondContact O-N 3.43Å; T189-E192 PolarHBondContact OG1-OE1 2.89Å; E192-D194 PolarHBondContact O-N 3.11Å | ||
| 193 | D | 59.8 | Low | 72.1 | Confident | 127 Ų | 127 | 109.8 Ų | 109.8 | 68% | 0.679 | 60% | 0.599 | S | S | * | * | trans | -75.3 | 78.2 | 164.5 | -73.3 | -31.4 | 0 | 0 | 0 | 108.5 | P195 | D193-P195 WeakPolarHBondContact O-CD 3.33Š| ||
| 194 | D | 61.6 | Low | 71.9 | Confident | 83 Ų | 83 | 108.8 Ų | 108.8 | 44% | 0.444 | 60% | 0.599 | S | S | . | * | trans | -40.7 | 111.6 | 172.3 | -96.5 | -56.7 | 0 | 0 | 0 | 109.9 | E192 W196 L197 | E192-D194 PolarHBondContact O-N 3.11Å; D194-W196 PolarHBondContact O-N 3.49Å; D194-L197 HydrophobicContact CB-CD1 3.55Å | ||
| 195 | P | 60.9 | Low | 71.8 | Confident | 139 Ų | 139 | 109.2 Ų | 109.2 | 90% | 0.903 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 29.5 | -176.7 | -21.2 | 35.1 | 0 | 0 | 0 | 114.3 | D193 | D193-P195 WeakPolarHBondContact O-CD 3.33Š|
| 196 | W | 58.6 | Low | 71.6 | Confident | 55 Ų | 55 | 111.7 Ų | 111.7 | 21% | 0.208 | 59% | 0.585 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -144.5 | -6.1 | -155.2 | -174.8 | 59.9 | 0 | 0 | 0 | 113.6 | D194 D198 D199 A202 W203 | D194-W196 PolarHBondContact O-N 3.49Å; W196-D198 PolarHBondContact O-N 3.32Å; W196-D198 VanDerWaalsContact O-N 3.11Å; W196-D199 WeakPolarHBondContact CZ2-O 3.3Å; W196-D199 PolarHBondContact NE1-O 2.86Å; W196-D199 PolarHBondContact O-N 2.86Å; W196-A202 HydrophobicContact CZ2-CB 3.85Å; W196-W203 HydrophobicContact CH2-CB 3.65Å; W196-W203 AromaticContact CH2-CD1 4Å; W196-W203 HydrophobicContact CH2-CG 4.25Å; W196-W203 HydrophobicContact CZ2-CB 3.87Å |
| 197 | L | 55.8 | Low | 71.7 | Confident | 141 Ų | 141 | 105.7 Ų | 105.7 | 74% | 0.738 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -24.7 | 175.1 | -96.2 | 71.5 | 0 | 0 | 0 | 114 | D194 | D194-L197 HydrophobicContact CB-CD1 3.55Š|
| 198 | D | 56.4 | Low | 72 | Confident | 160 Ų | 160 | 108.6 Ų | 108.6 | 86% | 0.856 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -18.1 | -175.3 | -65.9 | -31.6 | 0 | 0 | 0 | 114.1 | W196 | W196-D198 PolarHBondContact O-N 3.32Å; W196-D198 VanDerWaalsContact O-N 3.11Å |
| 199 | D | 71.3 | Confident | 72.6 | Confident | 100 Ų | 100 | 107 Ų | 107 | 54% | 0.535 | 56% | 0.563 | S | S | . | * | trans | -110.6 | 83.5 | -161.9 | -149 | -2.8 | 0 | 0 | 0 | 113.7 | W196 A201 A202 | W196-D199 WeakPolarHBondContact CZ2-O 3.3Å; W196-D199 PolarHBondContact NE1-O 2.86Å; W196-D199 PolarHBondContact O-N 2.86Å; D199-A201 PolarHBondContact O-N 3.08Å; D199-A202 PolarHBondContact O-N 3.05Å | ||
| 200 | T | 73.8 | Confident | 72.9 | Confident | 113 Ų | 113 | 107 Ų | 107 | 69% | 0.693 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -49.8 | -26.3 | -174.4 | 59.6 | 0 | 0 | 0 | 0 | 115.7 | W203 | T200-W203 WeakPolarHBondContact O-CB 3.48Å; T200-W203 PolarHBondContact O-N 3.39Å |
| 201 | A | 79.2 | Confident | 73.7 | Confident | 55 Ų | 55 | 104.6 Ų | 104.6 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.8 | -50.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D199 W203 I204 E205 | D199-A201 PolarHBondContact O-N 3.08Å; A201-W203 PolarHBondContact O-N 2.94Å; A201-I204 WeakPolarHBondContact O-CB 3.23Å; A201-I204 PolarHBondContact O-N 3.22Å; A201-I204 VanDerWaalsContact O-N 3.16Å; A201-E205 PolarHBondContact O-N 3.38Å |
| 202 | A | 78.6 | Confident | 74.6 | Confident | 25 Ų | 25 | 107.8 Ų | 107.8 | 21% | 0.207 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -74.8 | -6.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W196 D199 E205 R206 | W196-A202 HydrophobicContact CZ2-CB 3.85Å; D199-A202 PolarHBondContact O-N 3.05Å; A202-E205 PolarHBondContact O-N 3.18Å; A202-R206 WeakPolarHBondContact O-CB 3.45Å; A202-R206 WeakPolarHBondContact O-CG 3.26Å; A202-R206 PolarHBondContact O-N 3.2Å |
| 203 | W | 79.8 | Confident | 75.7 | Confident | 168 Ų | 168 | 109.8 Ų | 109.8 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -72.6 | -42.7 | 170.6 | -173.5 | 91.6 | 0 | 0 | 0 | 109.3 | W196 T200 A201 E205 S207 | W196-W203 HydrophobicContact CH2-CB 3.65Å; W196-W203 AromaticContact CH2-CD1 4Å; W196-W203 HydrophobicContact CH2-CG 4.25Å; W196-W203 HydrophobicContact CZ2-CB 3.87Å; T200-W203 WeakPolarHBondContact O-CB 3.48Å; T200-W203 PolarHBondContact O-N 3.39Å; A201-W203 PolarHBondContact O-N 2.94Å; W203-E205 VanDerWaalsContact C-N 3.31Å; W203-S207 WeakPolarHBondContact O-CB 3.29Å; W203-S207 PolarHBondContact O-N 3.23Å |
| 204 | I | 86.2 | Confident | 77.1 | Confident | 108 Ų | 108 | 110.1 Ų | 110.1 | 55% | 0.554 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.5 | -38.2 | 173.7 | -56.4 | 170.7 | 0 | 0 | 0 | 109.6 | A201 R208 | A201-I204 WeakPolarHBondContact O-CB 3.23Å; A201-I204 PolarHBondContact O-N 3.22Å; A201-I204 VanDerWaalsContact O-N 3.16Å; I204-R208 WeakPolarHBondContact O-CB 3.33Å; I204-R208 PolarHBondContact O-N 3.26Å |
| 205 | E | 82.8 | Confident | 78.2 | Confident | 123 Ų | 123 | 109.4 Ų | 109.4 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.9 | -51.1 | 175.5 | -59.8 | -166.2 | 150.4 | 0 | 0 | 112.9 | A201 A202 W203 S207 R208 Q209 | A201-E205 PolarHBondContact O-N 3.38Å; A202-E205 PolarHBondContact O-N 3.18Å; W203-E205 VanDerWaalsContact C-N 3.31Å; E205-S207 PolarHBondContact O-N 3.26Å; E205-R208 CarbonylContact O-C 3.46Å; E205-R208 PolarHBondContact O-N 2.88Å; E205-Q209 WeakPolarHBondContact O-CB 3.39Å; E205-Q209 VanDerWaalsContact O-CG 3.29Å; E205-Q209 WeakPolarHBondContact O-CG 3.15Å; E205-Q209 PolarHBondContact O-N 3.37Å |
| 206 | R | 80.1 | Confident | 79.5 | Confident | 124 Ų | 124 | 107 Ų | 107 | 47% | 0.468 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58 | -46.8 | 174.5 | -76.7 | -172.1 | -171.6 | -175.2 | 5.9 | 111.3 | A202 R208 Q209 L210 | A202-R206 WeakPolarHBondContact O-CB 3.45Å; A202-R206 WeakPolarHBondContact O-CG 3.26Å; A202-R206 PolarHBondContact O-N 3.2Å; R206-R208 VanDerWaalsContact C-N 3.3Å; R206-R208 PolarHBondContact O-N 3.04Å; R206-Q209 WeakPolarHBondContact O-CB 3.27Å; R206-Q209 PolarHBondContact O-N 2.59Å; R206-Q209 VanDerWaalsContact O-N 3.15Å; R206-L210 VanDerWaalsContact O-CB 3.3Å; R206-L210 WeakPolarHBondContact O-CB 3.32Å; R206-L210 PolarHBondContact O-N 2.76Å |
| 207 | S | 85.8 | Confident | 80.6 | Confident | 48 Ų | 48 | 106.9 Ų | 106.9 | 34% | 0.336 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 111.2 | W203 E205 L210 Q211 | W203-S207 WeakPolarHBondContact O-CB 3.29Å; W203-S207 PolarHBondContact O-N 3.23Å; E205-S207 PolarHBondContact O-N 3.26Å; S207-L210 PolarHBondContact O-N 2.73Å; S207-Q211 VanDerWaalsContact O-CB 3.28Å; S207-Q211 WeakPolarHBondContact O-CB 3.34Å; S207-Q211 PolarHBondContact O-N 2.97Å |
| 208 | R | 89.3 | Confident | 82.1 | Confident | 174 Ų | 174 | 106.8 Ų | 106.8 | 66% | 0.657 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -74.8 | -22.4 | 177.4 | -164.3 | 176.4 | -172.5 | -165.6 | 4.4 | 113.9 | I204 E205 R206 K212 | I204-R208 WeakPolarHBondContact O-CB 3.33Å; I204-R208 PolarHBondContact O-N 3.26Å; E205-R208 CarbonylContact O-C 3.46Å; E205-R208 PolarHBondContact O-N 2.88Å; R206-R208 VanDerWaalsContact C-N 3.3Å; R206-R208 PolarHBondContact O-N 3.04Å; R208-K212 WeakPolarHBondContact O-CD 3.48Å; R208-K212 WeakPolarHBondContact O-CG 3.36Å; R208-K212 PolarHBondContact O-N 2.9Å |
| 209 | Q | 86.7 | Confident | 83.5 | Confident | 102 Ų | 102 | 105.1 Ų | 105.1 | 48% | 0.477 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73 | -54.5 | 168.4 | -74.8 | 165 | -7.8 | 0 | 0 | 109.9 | E205 R206 Q211 K212 E213 | E205-Q209 WeakPolarHBondContact O-CB 3.39Å; E205-Q209 VanDerWaalsContact O-CG 3.29Å; E205-Q209 WeakPolarHBondContact O-CG 3.15Å; E205-Q209 PolarHBondContact O-N 3.37Å; R206-Q209 WeakPolarHBondContact O-CB 3.27Å; R206-Q209 PolarHBondContact O-N 2.59Å; R206-Q209 VanDerWaalsContact O-N 3.15Å; Q209-Q211 PolarHBondContact O-N 2.99Å; Q209-K212 CarbonylContact O-C 3.41Å; Q209-K212 WeakPolarHBondContact O-CA 3.16Å; Q209-K212 WeakPolarHBondContact O-CB 3.46Å; Q209-K212 PolarHBondContact O-N 3Å; Q209-E213 WeakPolarHBondContact O-CG 3.46Å; Q209-E213 PolarHBondContact O-N 3.16Å |
| 210 | L | 84 | Confident | 84.1 | Confident | 92 Ų | 92 | 108.6 Ų | 108.6 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.1 | -35 | 178 | -153.5 | 172.9 | 0 | 0 | 0 | 111.3 | R206 S207 E213 K214 | R206-L210 VanDerWaalsContact O-CB 3.3Å; R206-L210 WeakPolarHBondContact O-CB 3.32Å; R206-L210 PolarHBondContact O-N 2.76Å; S207-L210 PolarHBondContact O-N 2.73Å; L210-E213 PolarHBondContact O-N 3.31Å; L210-K214 HydrophobicContact CD2-CD 3.89Å; L210-K214 HydrophobicContact CD2-CG 4.14Å; L210-K214 WeakPolarHBondContact O-CB 3.14Å; L210-K214 WeakPolarHBondContact O-CG 3.34Å; L210-K214 PolarHBondContact O-N 3.28Å |
| 211 | Q | 85.4 | Confident | 84.5 | Confident | 122 Ų | 122 | 105.9 Ų | 105.9 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.4 | -40.2 | 173.4 | -162.4 | 150.3 | 13.8 | 0 | 0 | 112.8 | S207 Q209 E213 K214 D215 | S207-Q211 VanDerWaalsContact O-CB 3.28Å; S207-Q211 WeakPolarHBondContact O-CB 3.34Å; S207-Q211 PolarHBondContact O-N 2.97Å; Q209-Q211 PolarHBondContact O-N 2.99Å; Q211-E213 VanDerWaalsContact C-N 3.3Å; Q211-E213 PolarHBondContact O-N 3.08Å; Q211-K214 PolarHBondContact O-N 2.87Å; Q211-D215 WeakPolarHBondContact O-CB 3.15Å; Q211-D215 PolarHBondContact O-N 3.28Å |
| 212 | K | 89.7 | Confident | 84.7 | Confident | 120 Ų | 120 | 108.8 Ų | 108.8 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | 169.8 | -71.2 | 164 | -175.8 | 175.1 | 0 | 112.4 | R208 Q209 D215 L216 | R208-K212 WeakPolarHBondContact O-CD 3.48Å; R208-K212 WeakPolarHBondContact O-CG 3.36Å; R208-K212 PolarHBondContact O-N 2.9Å; Q209-K212 CarbonylContact O-C 3.41Å; Q209-K212 WeakPolarHBondContact O-CA 3.16Å; Q209-K212 WeakPolarHBondContact O-CB 3.46Å; Q209-K212 PolarHBondContact O-N 3Å; K212-D215 WeakPolarHBondContact O-CB 3.32Å; K212-L216 VanDerWaalsContact O-CB 3.27Å; K212-L216 WeakPolarHBondContact O-CB 3.29Å; K212-L216 WeakPolarHBondContact O-CG 3.49Å; K212-L216 PolarHBondContact O-N 2.69Å |
| 213 | E | 84.5 | Confident | 84.7 | Confident | 126 Ų | 126 | 112.5 Ų | 112.5 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.7 | -40.4 | 177.7 | -73.2 | 175.2 | 161.1 | 0 | 0 | 111.1 | Q209 L210 Q211 L216 A217 | Q209-E213 WeakPolarHBondContact O-CG 3.46Å; Q209-E213 PolarHBondContact O-N 3.16Å; L210-E213 PolarHBondContact O-N 3.31Å; Q211-E213 VanDerWaalsContact C-N 3.3Å; Q211-E213 PolarHBondContact O-N 3.08Å; E213-L216 PolarHBondContact O-N 3.35Å; E213-A217 WeakPolarHBondContact O-CB 3.23Å; E213-A217 PolarHBondContact O-N 2.91Å |
| 214 | K | 88.8 | Confident | 84.6 | Confident | 134 Ų | 134 | 109.7 Ų | 109.7 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.7 | -51.4 | 167.9 | -79.1 | 175.3 | 173.6 | 179.3 | 0 | 111.4 | L210 Q211 L216 A217 E218 | L210-K214 HydrophobicContact CD2-CD 3.89Å; L210-K214 HydrophobicContact CD2-CG 4.14Å; L210-K214 WeakPolarHBondContact O-CB 3.14Å; L210-K214 WeakPolarHBondContact O-CG 3.34Å; L210-K214 PolarHBondContact O-N 3.28Å; Q211-K214 PolarHBondContact O-N 2.87Å; K214-L216 PolarHBondContact O-N 3.08Å; K214-A217 PolarHBondContact O-N 3.25Å; K214-A217 VanDerWaalsContact O-N 3.13Å; K214-E218 WeakPolarHBondContact O-CB 3.49Å; K214-E218 PolarHBondContact O-N 2.83Å |
| 215 | D | 85.3 | Confident | 84.1 | Confident | 69 Ų | 69 | 110 Ų | 110 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -55.5 | -34.5 | 175.4 | -83.3 | 25.2 | 0 | 0 | 0 | 113.1 | Q211 K212 K219 | Q211-D215 WeakPolarHBondContact O-CB 3.15Å; Q211-D215 PolarHBondContact O-N 3.28Å; K212-D215 WeakPolarHBondContact O-CB 3.32Å; D215-K219 WeakPolarHBondContact O-CB 3.13Å; D215-K219 WeakPolarHBondContact O-CD 3.43Å; D215-K219 WeakPolarHBondContact O-CE 3.15Å; D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.02Å; D215-K219 PolarHBondContact O-NZ 2.99Å; D215-K219 IonicContact OD2-NZ 2.67Å |
| 216 | L | 88.7 | Confident | 83.9 | Confident | 87 Ų | 87 | 108.5 Ų | 108.5 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -84.5 | -31.5 | 178.1 | -76.9 | 169.5 | 0 | 0 | 0 | 112.6 | K212 E213 K214 R220 | K212-L216 VanDerWaalsContact O-CB 3.27Å; K212-L216 WeakPolarHBondContact O-CB 3.29Å; K212-L216 WeakPolarHBondContact O-CG 3.49Å; K212-L216 PolarHBondContact O-N 2.69Å; E213-L216 PolarHBondContact O-N 3.35Å; K214-L216 PolarHBondContact O-N 3.08Å; L216-R220 WeakPolarHBondContact O-CB 3.49Å; L216-R220 VanDerWaalsContact O-CG 3.3Å; L216-R220 WeakPolarHBondContact O-CG 3.37Å; L216-R220 PolarHBondContact O-N 2.9Å |
| 217 | A | 81.6 | Confident | 83.3 | Confident | 54 Ų | 54 | 106.5 Ų | 106.5 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.5 | -42 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E213 K214 R220 A221 | E213-A217 WeakPolarHBondContact O-CB 3.23Å; E213-A217 PolarHBondContact O-N 2.91Å; K214-A217 PolarHBondContact O-N 3.25Å; K214-A217 VanDerWaalsContact O-N 3.13Å; A217-R220 PolarHBondContact O-N 3.42Å; A217-A221 VanDerWaalsContact O-CB 3.23Å; A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 3.2Å |
| 218 | E | 85.3 | Confident | 82.3 | Confident | 138 Ų | 138 | 108.1 Ų | 108.1 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 173.3 | -172.4 | 178.5 | -178.6 | 0 | 0 | 111.1 | K214 R220 A221 K222 | K214-E218 WeakPolarHBondContact O-CB 3.49Å; K214-E218 PolarHBondContact O-N 2.83Å; E218-R220 PolarHBondContact O-N 3.04Å; E218-A221 PolarHBondContact O-N 3.14Å; E218-K222 VanDerWaalsContact O-CB 3.24Å; E218-K222 WeakPolarHBondContact O-CB 3.21Å; E218-K222 PolarHBondContact O-N 3.07Å |
| 219 | K | 87 | Confident | 81.4 | Confident | 126 Ų | 126 | 106.8 Ų | 106.8 | 55% | 0.548 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -36 | 173.7 | -73.3 | 163.3 | -162.7 | 136.9 | 0 | 113 | D215 L223 | D215-K219 WeakPolarHBondContact O-CB 3.13Å; D215-K219 WeakPolarHBondContact O-CD 3.43Å; D215-K219 WeakPolarHBondContact O-CE 3.15Å; D215-K219 WeakPolarHBondContact O-CG 3.3Å; D215-K219 PolarHBondContact O-N 3.02Å; D215-K219 PolarHBondContact O-NZ 2.99Å; D215-K219 IonicContact OD2-NZ 2.67Å; K219-L223 VanDerWaalsContact O-CB 3.29Å; K219-L223 WeakPolarHBondContact O-CB 3.4Å; K219-L223 PolarHBondContact O-N 3.01Å |
| 220 | R | 84.2 | Confident | 80.1 | Confident | 172 Ų | 172 | 109.1 Ų | 109.1 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71 | -42.2 | 173.5 | -79 | -178.3 | -178.3 | 109.8 | -7.6 | 112.3 | L216 A217 E218 L223 L224 | L216-R220 WeakPolarHBondContact O-CB 3.49Å; L216-R220 VanDerWaalsContact O-CG 3.3Å; L216-R220 WeakPolarHBondContact O-CG 3.37Å; L216-R220 PolarHBondContact O-N 2.9Å; A217-R220 PolarHBondContact O-N 3.42Å; E218-R220 PolarHBondContact O-N 3.04Å; R220-L223 PolarHBondContact O-N 3.06Å; R220-L224 PolarHBondContact O-N 2.9Å |
| 221 | A | 82.1 | Confident | 78.8 | Confident | 57 Ų | 57 | 112.6 Ų | 112.6 | 47% | 0.471 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | A217 E218 L223 L224 E225 | A217-A221 VanDerWaalsContact O-CB 3.23Å; A217-A221 WeakPolarHBondContact O-CB 3.45Å; A217-A221 PolarHBondContact O-N 3.2Å; E218-A221 PolarHBondContact O-N 3.14Å; A221-L223 PolarHBondContact O-N 3.07Å; A221-L224 CarbonylContact O-C 3.58Å; A221-L224 WeakPolarHBondContact O-CB 3.38Å; A221-L224 PolarHBondContact O-N 3.09Å; A221-E225 WeakPolarHBondContact O-CB 3.34Å; A221-E225 PolarHBondContact O-N 2.95Å |
| 222 | K | 83.5 | Confident | 77.7 | Confident | 115 Ų | 115 | 108.4 Ų | 108.4 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 173.2 | 176.9 | 167.7 | 173.4 | 168.2 | 0 | 112.5 | E218 L224 E225 E226 | E218-K222 VanDerWaalsContact O-CB 3.24Å; E218-K222 WeakPolarHBondContact O-CB 3.21Å; E218-K222 PolarHBondContact O-N 3.07Å; K222-L224 VanDerWaalsContact C-N 3.32Å; K222-E225 PolarHBondContact O-N 3.24Å; K222-E226 VanDerWaalsContact CE-CD 3.48Å; K222-E226 WeakPolarHBondContact CE-OE1 3.47Å; K222-E226 HydrophobicContact CG-CG 4.41Å; K222-E226 IonicContact NZ-OE1 2.65Å; K222-E226 PolarHBondContact NZ-OE1 3.32Å; K222-E226 WeakPolarHBondContact O-CB 3.34Å; K222-E226 WeakPolarHBondContact O-CG 3.26Å; K222-E226 PolarHBondContact O-N 3.37Å |
| 223 | L | 78.5 | Confident | 76.1 | Confident | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.6 | -33.6 | 175.4 | -173.4 | 147.4 | 0 | 0 | 0 | 111.9 | K219 R220 A221 M227 | K219-L223 VanDerWaalsContact O-CB 3.29Å; K219-L223 WeakPolarHBondContact O-CB 3.4Å; K219-L223 PolarHBondContact O-N 3.01Å; R220-L223 PolarHBondContact O-N 3.06Å; A221-L223 PolarHBondContact O-N 3.07Å; L223-M227 HydrophobicContact CD2-CG 4.31Å; L223-M227 WeakPolarHBondContact O-CB 3.25Å; L223-M227 WeakPolarHBondContact O-CG 3.15Å; L223-M227 PolarHBondContact O-N 3.39Å |
| 224 | L | 76.8 | Confident | 74.8 | Confident | 109 Ų | 109 | 102.9 Ų | 102.9 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -45.4 | 168.9 | -113.8 | 67.9 | 0 | 0 | 0 | 111.4 | R220 A221 K222 M227 D228 | R220-L224 PolarHBondContact O-N 2.9Å; A221-L224 CarbonylContact O-C 3.58Å; A221-L224 WeakPolarHBondContact O-CB 3.38Å; A221-L224 PolarHBondContact O-N 3.09Å; K222-L224 VanDerWaalsContact C-N 3.32Å; L224-M227 CarbonylContact O-C 3.58Å; L224-M227 PolarHBondContact O-N 3.42Å; L224-M227 VanDerWaalsContact O-N 3.15Å; L224-D228 WeakPolarHBondContact O-CB 3.34Å; L224-D228 PolarHBondContact O-N 2.86Å |
| 225 | E | 75.7 | Confident | 73.7 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 179.6 | -170.4 | -176.7 | -175.7 | 0 | 0 | 112 | A221 K222 D228 Q229 | A221-E225 WeakPolarHBondContact O-CB 3.34Å; A221-E225 PolarHBondContact O-N 2.95Å; K222-E225 PolarHBondContact O-N 3.24Å; E225-D228 PolarHBondContact O-N 3.09Å; E225-Q229 WeakPolarHBondContact O-CB 3.44Å; E225-Q229 VanDerWaalsContact O-CG 3.22Å; E225-Q229 WeakPolarHBondContact O-CG 3.47Å; E225-Q229 PolarHBondContact O-N 3Å |
| 226 | E | 78.3 | Confident | 72.7 | Confident | 91 Ų | 91 | 103 Ų | 103 | 43% | 0.425 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 172 | -73.3 | 173.2 | 163 | 0 | 0 | 111.1 | K222 E230 | K222-E226 VanDerWaalsContact CE-CD 3.48Å; K222-E226 WeakPolarHBondContact CE-OE1 3.47Å; K222-E226 HydrophobicContact CG-CG 4.41Å; K222-E226 IonicContact NZ-OE1 2.65Å; K222-E226 PolarHBondContact NZ-OE1 3.32Å; K222-E226 WeakPolarHBondContact O-CB 3.34Å; K222-E226 WeakPolarHBondContact O-CG 3.26Å; K222-E226 PolarHBondContact O-N 3.37Å; E226-E230 WeakPolarHBondContact O-CG 3.41Å; E226-E230 PolarHBondContact O-N 3.15Å; E226-E230 VanDerWaalsContact O-N 3.14Å |
| 227 | M | 68.9 | Low | 71.5 | Confident | 81 Ų | 81 | 101.6 Ų | 101.6 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.9 | -37.9 | 174.1 | -67.2 | -78.8 | 86.2 | 0 | 0 | 113.6 | L223 L224 Q229 E230 F231 | L223-M227 HydrophobicContact CD2-CG 4.31Å; L223-M227 WeakPolarHBondContact O-CB 3.25Å; L223-M227 WeakPolarHBondContact O-CG 3.15Å; L223-M227 PolarHBondContact O-N 3.39Å; L224-M227 CarbonylContact O-C 3.58Å; L224-M227 PolarHBondContact O-N 3.42Å; L224-M227 VanDerWaalsContact O-N 3.15Å; M227-Q229 VanDerWaalsContact C-N 3.31Å; M227-Q229 PolarHBondContact O-N 3.29Å; M227-E230 VanDerWaalsContact CE-OE2 3.23Å; M227-E230 WeakPolarHBondContact CE-OE2 3.35Å; M227-E230 PolarHBondContact O-N 2.98Å; M227-F231 WeakPolarHBondContact O-CB 3.32Å; M227-F231 PolarHBondContact O-N 3.37Å |
| 228 | D | 63.6 | Low | 70.8 | Confident | 82 Ų | 82 | 106.3 Ų | 106.3 | 44% | 0.439 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 175.6 | -79.2 | -23.7 | 0 | 0 | 0 | 111.1 | L224 E225 G232 | L224-D228 WeakPolarHBondContact O-CB 3.34Å; L224-D228 PolarHBondContact O-N 2.86Å; E225-D228 PolarHBondContact O-N 3.09Å; D228-G232 PolarHBondContact O-N 2.9Å |
| 229 | Q | 70.3 | Confident | 70 | Confident | 146 Ų | 146 | 105.5 Ų | 105.5 | 68% | 0.682 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.6 | -32.8 | 173.7 | -73.7 | 177 | 37 | 0 | 0 | 113 | E225 M227 | E225-Q229 WeakPolarHBondContact O-CB 3.44Å; E225-Q229 VanDerWaalsContact O-CG 3.22Å; E225-Q229 WeakPolarHBondContact O-CG 3.47Å; E225-Q229 PolarHBondContact O-N 3Å; M227-Q229 VanDerWaalsContact C-N 3.31Å; M227-Q229 PolarHBondContact O-N 3.29Å |
| 230 | E | 60.6 | Low | 69.1 | Low | 152 Ų | 152 | 103.6 Ų | 103.6 | 71% | 0.71 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -87.2 | -34.8 | 179.6 | -73.5 | -171.7 | 166.4 | 0 | 0 | 114.2 | E226 M227 | E226-E230 WeakPolarHBondContact O-CG 3.41Å; E226-E230 PolarHBondContact O-N 3.15Å; E226-E230 VanDerWaalsContact O-N 3.14Å; M227-E230 VanDerWaalsContact CE-OE2 3.23Å; M227-E230 WeakPolarHBondContact CE-OE2 3.35Å; M227-E230 PolarHBondContact O-N 2.98Å |
| 231 | F | 57 | Low | 68.1 | Low | 165 Ų | 165 | 100.9 Ų | 100.9 | 72% | 0.724 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -101.7 | -11.6 | -175.3 | -100.3 | -97.1 | 0 | 0 | 0 | 115.3 | M227 V233 | M227-F231 WeakPolarHBondContact O-CB 3.32Å; M227-F231 PolarHBondContact O-N 3.37Å; F231-V233 VanDerWaalsContact C-N 3.27Å; F231-V233 HydrophobicContact CB-CG2 3.65Å; F231-V233 PolarHBondContact O-N 3.2Å |
| 232 | G | 62.2 | Low | 67.1 | Low | 33 Ų | 33 | 99.5 Ų | 99.5 | 34% | 0.34 | 51% | 0.51 | S | S | . | . | trans | 64.4 | 31.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D228 S234 T235 | D228-G232 PolarHBondContact O-N 2.9Å; G232-S234 PolarHBondContact O-N 3.22Å; G232-T235 PolarHBondContact O-N 3.14Å; G232-T235 PolarHBondContact O-OG1 3.27Å | ||
| 233 | V | 56.1 | Low | 66.2 | Low | 50 Ų | 50 | 99.4 Ų | 99.4 | 30% | 0.303 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -25.1 | -169.2 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | F231 T235 L236 V237 | F231-V233 VanDerWaalsContact C-N 3.27Å; F231-V233 HydrophobicContact CB-CG2 3.65Å; F231-V233 PolarHBondContact O-N 3.2Å; V233-T235 PolarHBondContact O-N 2.93Å; V233-L236 PolarHBondContact O-N 3.45Å; V233-L236 VanDerWaalsContact O-N 3.16Å; V233-V237 HydrophobicContact CG1-CG2 3.71Å; V233-V237 WeakPolarHBondContact O-CB 3.23Å; V233-V237 WeakPolarHBondContact O-CG2 3.29Å; V233-V237 PolarHBondContact O-N 2.92Å |
| 234 | S | 57.3 | Low | 65.4 | Low | 80 Ų | 80 | 100.3 Ų | 100.3 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -55.7 | -43.4 | 178.1 | 53 | 0 | 0 | 0 | 0 | 113.9 | G232 V237 E238 | G232-S234 PolarHBondContact O-N 3.22Å; S234-V237 PolarHBondContact O-N 3.03Å; S234-E238 WeakPolarHBondContact O-CG 3.49Å; S234-E238 PolarHBondContact O-N 3.29Å |
| 235 | T | 64.2 | Low | 64.7 | Low | 89 Ų | 89 | 104.2 Ų | 104.2 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.5 | -35.1 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | G232 V233 V237 E238 E239 | G232-T235 PolarHBondContact O-N 3.14Å; G232-T235 PolarHBondContact O-OG1 3.27Å; V233-T235 PolarHBondContact O-N 2.93Å; T235-V237 VanDerWaalsContact C-N 3.35Å; T235-E238 PolarHBondContact O-N 2.91Å; T235-E239 WeakPolarHBondContact O-CB 3.4Å; T235-E239 WeakPolarHBondContact O-CG 3.47Å; T235-E239 PolarHBondContact O-N 3.14Å |
| 236 | L | 64.2 | Low | 64 | Low | 117 Ų | 117 | 106 Ų | 106 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.1 | -36.1 | 176.3 | -143.1 | 77.2 | 0 | 0 | 0 | 111.6 | V233 E239 E240 | V233-L236 PolarHBondContact O-N 3.45Å; V233-L236 VanDerWaalsContact O-N 3.16Å; L236-E239 PolarHBondContact O-N 2.79Å; L236-E240 WeakPolarHBondContact O-CB 3.4Å; L236-E240 PolarHBondContact O-N 3.08Å |
| 237 | V | 65.1 | Low | 63.3 | Low | 58 Ų | 58 | 107.8 Ų | 107.8 | 35% | 0.352 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.9 | -36.3 | 176.2 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | V233 S234 T235 E240 F241 | V233-V237 HydrophobicContact CG1-CG2 3.71Å; V233-V237 WeakPolarHBondContact O-CB 3.23Å; V233-V237 WeakPolarHBondContact O-CG2 3.29Å; V233-V237 PolarHBondContact O-N 2.92Å; S234-V237 PolarHBondContact O-N 3.03Å; T235-V237 VanDerWaalsContact C-N 3.35Å; V237-E240 PolarHBondContact O-N 3.49Å; V237-F241 HydrophobicContact CG1-CD2 3.71Å; V237-F241 HydrophobicContact CG1-CE2 3.9Å; V237-F241 WeakPolarHBondContact O-CB 3.43Å; V237-F241 WeakPolarHBondContact O-CD2 3.48Å; V237-F241 PolarHBondContact O-N 3.4Å |
| 238 | E | 66.1 | Low | 63.3 | Low | 152 Ų | 152 | 109.5 Ų | 109.5 | 71% | 0.71 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 170 | -75.6 | -170.1 | 145.5 | 0 | 0 | 111.7 | S234 T235 G242 | S234-E238 WeakPolarHBondContact O-CG 3.49Å; S234-E238 PolarHBondContact O-N 3.29Å; T235-E238 PolarHBondContact O-N 2.91Å; E238-G242 PolarHBondContact O-N 3.11Å |
| 239 | E | 68.6 | Low | 63.8 | Low | 122 Ų | 122 | 114.9 Ų | 114.9 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.7 | -37.9 | 172.8 | -74.7 | -177 | 165.9 | 0 | 0 | 112.5 | T235 L236 G242 Q243 | T235-E239 WeakPolarHBondContact O-CB 3.4Å; T235-E239 WeakPolarHBondContact O-CG 3.47Å; T235-E239 PolarHBondContact O-N 3.14Å; L236-E239 PolarHBondContact O-N 2.79Å; E239-G242 PolarHBondContact O-N 2.89Å; E239-Q243 WeakPolarHBondContact O-CG 3.42Å; E239-Q243 PolarHBondContact O-N 2.83Å; E239-Q243 PolarHBondContact O-NE2 3.44Å |
| 240 | E | 67.3 | Low | 64.3 | Low | 86 Ų | 86 | 111 Ų | 111 | 40% | 0.402 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -74.1 | -42.6 | 179.1 | -158.1 | -165.2 | 173 | 0 | 0 | 112.3 | L236 V237 G242 Q243 R244 | L236-E240 WeakPolarHBondContact O-CB 3.4Å; L236-E240 PolarHBondContact O-N 3.08Å; V237-E240 PolarHBondContact O-N 3.49Å; E240-G242 PolarHBondContact O-N 3.38Å; E240-Q243 PolarHBondContact O-N 2.82Å; E240-R244 WeakPolarHBondContact O-CB 3.4Å; E240-R244 WeakPolarHBondContact O-CG 3.45Å; E240-R244 PolarHBondContact O-N 2.77Å; E240-R244 IonicContact OE1-CZ 3.52Å; E240-R244 VanDerWaalsContact OE1-CZ 3.25Å; E240-R244 IonicContact OE1-NE 3.43Å; E240-R244 PolarHBondContact OE1-NE 3.11Å; E240-R244 VanDerWaalsContact OE1-NE 3.11Å; E240-R244 IonicContact OE1-NH2 2.8Å; E240-R244 PolarHBondContact OE1-NH2 3.36Å; E240-R244 IonicContact OE2-CZ 2.69Å; E240-R244 IonicContact OE2-NH2 3.35Å; E240-R244 PolarHBondContact OE2-NH2 3.1Å |
| 241 | F | 64.1 | Low | 65.4 | Low | 115 Ų | 115 | 106.1 Ų | 106.1 | 50% | 0.504 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -29.6 | 170.6 | -89.1 | -97.1 | 0 | 0 | 0 | 111.8 | V237 R245 | V237-F241 HydrophobicContact CG1-CD2 3.71Å; V237-F241 HydrophobicContact CG1-CE2 3.9Å; V237-F241 WeakPolarHBondContact O-CB 3.43Å; V237-F241 WeakPolarHBondContact O-CD2 3.48Å; V237-F241 PolarHBondContact O-N 3.4Å; F241-R245 WeakPolarHBondContact O-CB 3.35Å; F241-R245 VanDerWaalsContact O-CG 3.3Å; F241-R245 WeakPolarHBondContact O-CG 3.49Å; F241-R245 PolarHBondContact O-N 3.12Å; F241-R245 VanDerWaalsContact O-N 3.13Å |
| 242 | G | 61.9 | Low | 66.7 | Low | 27 Ų | 27 | 107.1 Ų | 107.1 | 28% | 0.278 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -43.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | E238 E239 E240 Q246 | E238-G242 PolarHBondContact O-N 3.11Å; E239-G242 PolarHBondContact O-N 2.89Å; E240-G242 PolarHBondContact O-N 3.38Å; G242-Q246 PolarHBondContact O-N 3.47Å; G242-Q246 PolarHBondContact O-NE2 3.48Å |
| 243 | Q | 64.1 | Low | 67.9 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67 | -51.9 | 175 | -77 | 163.8 | 81.8 | 0 | 0 | 111.4 | E239 E240 R245 Q246 D247 | E239-Q243 WeakPolarHBondContact O-CG 3.42Å; E239-Q243 PolarHBondContact O-N 2.83Å; E239-Q243 PolarHBondContact O-NE2 3.44Å; E240-Q243 PolarHBondContact O-N 2.82Å; Q243-R245 PolarHBondContact O-N 2.96Å; Q243-Q246 WeakPolarHBondContact O-CA 3.4Å; Q243-Q246 WeakPolarHBondContact O-CB 3.47Å; Q243-Q246 PolarHBondContact O-N 2.9Å; Q243-D247 PolarHBondContact O-N 3.46Å |
| 244 | R | 61.7 | Low | 69.3 | Low | 122 Ų | 122 | 111.4 Ų | 111.4 | 46% | 0.46 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -53.7 | -32.8 | 176.2 | -69.7 | 169.6 | -176.9 | -168.1 | 4.4 | 112.6 | E240 L248 | E240-R244 WeakPolarHBondContact O-CB 3.4Å; E240-R244 WeakPolarHBondContact O-CG 3.45Å; E240-R244 PolarHBondContact O-N 2.77Å; E240-R244 IonicContact OE1-CZ 3.52Å; E240-R244 VanDerWaalsContact OE1-CZ 3.25Å; E240-R244 IonicContact OE1-NE 3.43Å; E240-R244 PolarHBondContact OE1-NE 3.11Å; E240-R244 VanDerWaalsContact OE1-NE 3.11Å; E240-R244 IonicContact OE1-NH2 2.8Å; E240-R244 PolarHBondContact OE1-NH2 3.36Å; E240-R244 IonicContact OE2-CZ 2.69Å; E240-R244 IonicContact OE2-NH2 3.35Å; E240-R244 PolarHBondContact OE2-NH2 3.1Å; R244-L248 WeakPolarHBondContact O-CG 3.43Å; R244-L248 PolarHBondContact O-N 3.47Å |
| 245 | R | 61.3 | Low | 70.8 | Confident | 192 Ų | 192 | 112.5 Ų | 112.5 | 73% | 0.725 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -72.2 | -26.3 | 174.2 | -82.6 | 179.2 | 175.3 | -170.1 | 1.1 | 114.6 | F241 Q243 | F241-R245 WeakPolarHBondContact O-CB 3.35Å; F241-R245 VanDerWaalsContact O-CG 3.3Å; F241-R245 WeakPolarHBondContact O-CG 3.49Å; F241-R245 PolarHBondContact O-N 3.12Å; F241-R245 VanDerWaalsContact O-N 3.13Å; Q243-R245 PolarHBondContact O-N 2.96Å |
| 246 | Q | 60.5 | Low | 71.8 | Confident | 152 Ų | 152 | 109.4 Ų | 109.4 | 71% | 0.71 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -79.8 | -33.6 | 172.9 | -66.8 | 173.8 | 52 | 0 | 0 | 111 | G242 Q243 L248 | G242-Q246 PolarHBondContact O-N 3.47Å; G242-Q246 PolarHBondContact O-NE2 3.48Å; Q243-Q246 WeakPolarHBondContact O-CA 3.4Å; Q243-Q246 WeakPolarHBondContact O-CB 3.47Å; Q243-Q246 PolarHBondContact O-N 2.9Å; Q246-L248 VanDerWaalsContact C-N 3.29Å; Q246-L248 PolarHBondContact O-N 3Å |
| 247 | D | 63.8 | Low | 73.1 | Confident | 129 Ų | 129 | 106 Ų | 106 | 69% | 0.69 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.5 | -18.6 | 176.8 | -62.3 | -43.4 | 0 | 0 | 0 | 114.1 | Q243 Y249 | Q243-D247 PolarHBondContact O-N 3.46Å; D247-Y249 VanDerWaalsContact C-N 3.29Å; D247-Y249 PolarHBondContact O-N 2.88Å |
| 248 | L | 68.8 | Low | 74.3 | Confident | 117 Ų | 117 | 104.3 Ų | 104.3 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.6 | -177.9 | -85.7 | 174.6 | 0 | 0 | 0 | 115.1 | R244 Q246 | R244-L248 WeakPolarHBondContact O-CG 3.43Å; R244-L248 PolarHBondContact O-N 3.47Å; Q246-L248 VanDerWaalsContact C-N 3.29Å; Q246-L248 PolarHBondContact O-N 3Å |
| 249 | Y | 74.9 | Confident | 75.6 | Confident | 194 Ų | 194 | 97.1 Ų | 97.1 | 76% | 0.761 | 47% | 0.468 | S | S | * | . | trans | -136.8 | 103.3 | -179.3 | -65.6 | -73.9 | 0 | 0 | 0 | 111 | D247 | D247-Y249 VanDerWaalsContact C-N 3.29Å; D247-Y249 PolarHBondContact O-N 2.88Å | ||
| 250 | S | 81.4 | Confident | 76.7 | Confident | 64 Ų | 64 | 93 Ų | 93 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | trans | -95.5 | 166.8 | 177 | -164.9 | 0 | 0 | 0 | 0 | 111.3 | R252 D253 | S250-R252 PolarHBondContact O-N 3.06Å; S250-R252 VanDerWaalsContact O-N 3.09Å; S250-D253 WeakPolarHBondContact CA-OD2 3.39Å; S250-D253 WeakPolarHBondContact CB-OD2 3.44Å; S250-D253 PolarHBondContact N-OD2 3.18Å; S250-D253 PolarHBondContact O-N 3.04Å | ||
| 251 | A | 83.3 | Confident | 77.8 | Confident | 50 Ų | 50 | 89 Ų | 89 | 41% | 0.413 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -57.9 | -23.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D253 L254 G354 G355 | A251-D253 VanDerWaalsContact C-N 3.27Å; A251-D253 PolarHBondContact O-N 3.26Å; A251-L254 PolarHBondContact O-N 2.82Å; A251-G354 CarbonylContact C-O 3.3Å; A251-G354 WeakPolarHBondContact CB-O 3.47Å; A251-G354 CarbonylContact O-C 3.52Å; A251-G354 VanDerWaalsContact O-C 3.3Å; A251-G355 WeakPolarHBondContact O-CA 3.43Å; A251-G355 PolarHBondContact O-N 3.48Å |
| 252 | R | 84.6 | Confident | 79.1 | Confident | 186 Ų | 186 | 84.9 Ų | 84.9 | 70% | 0.702 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -59.2 | -35 | 172.5 | -65.6 | 178.6 | 178.7 | 170.6 | 0.8 | 113.2 | S250 L254 Q255 | S250-R252 PolarHBondContact O-N 3.06Å; S250-R252 VanDerWaalsContact O-N 3.09Å; R252-L254 PolarHBondContact O-N 2.71Å; R252-Q255 WeakPolarHBondContact O-CB 3.01Å; R252-Q255 PolarHBondContact O-N 2.88Å; R252-Q255 VanDerWaalsContact O-N 3.14Å |
| 253 | D | 86.6 | Confident | 80.2 | Confident | 99 Ų | 99 | 85.1 Ų | 85.1 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -81 | -8.3 | -174.8 | -49 | -59.4 | 0 | 0 | 0 | 112.2 | S250 A251 Q255 | S250-D253 WeakPolarHBondContact CA-OD2 3.39Å; S250-D253 WeakPolarHBondContact CB-OD2 3.44Å; S250-D253 PolarHBondContact N-OD2 3.18Å; S250-D253 PolarHBondContact O-N 3.04Å; A251-D253 VanDerWaalsContact C-N 3.27Å; A251-D253 PolarHBondContact O-N 3.26Å; D253-Q255 VanDerWaalsContact C-N 3.33Å |
| 254 | L | 86.1 | Confident | 81.4 | Confident | 74 Ų | 74 | 85.1 Ų | 85.1 | 39% | 0.387 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -85.4 | -4.3 | 168.5 | -55.1 | 177.1 | 0 | 0 | 0 | 112.9 | A251 R252 G256 L257 L351 | A251-L254 PolarHBondContact O-N 2.82Å; R252-L254 PolarHBondContact O-N 2.71Å; L254-G256 PolarHBondContact O-N 3.23Å; L254-L257 HydrophobicContact CD2-CD1 4.03Å; L254-L257 PolarHBondContact O-N 2.96Å; L254-L351 HydrophobicContact CB-CD1 3.9Å; L254-L351 WeakPolarHBondContact O-CD1 3.46Å |
| 255 | Q | 88.1 | Confident | 82.6 | Confident | 104 Ų | 104 | 81.3 Ų | 81.3 | 49% | 0.486 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 128.6 | 178.7 | 174.4 | -176.1 | -47.7 | 0 | 0 | 111.1 | R252 D253 L257 Q353 | R252-Q255 WeakPolarHBondContact O-CB 3.01Å; R252-Q255 PolarHBondContact O-N 2.88Å; R252-Q255 VanDerWaalsContact O-N 3.14Å; D253-Q255 VanDerWaalsContact C-N 3.33Å; Q255-L257 VanDerWaalsContact C-N 3.29Å; Q255-L257 PolarHBondContact O-N 2.86Å; Q255-Q353 HydrophobicContact CG-CG 4.45Å |
| 256 | G | 86.1 | Confident | 83.9 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 24% | 0.237 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -0.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L254 R350 L351 | L254-G256 PolarHBondContact O-N 3.23Å; G256-R350 PolarHBondContact O-NE 2.95Å; G256-R350 PolarHBondContact O-NH2 2.88Å; G256-L351 WeakPolarHBondContact CA-O 3.37Å; G256-L351 PolarHBondContact N-O 3.37Å |
| 257 | L | 90.6 | Very high | 85.3 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 149.9 | 162.3 | -68.4 | 174.7 | 0 | 0 | 0 | 110.1 | L254 Q255 D287 L289 L351 | L254-L257 HydrophobicContact CD2-CD1 4.03Å; L254-L257 PolarHBondContact O-N 2.96Å; Q255-L257 VanDerWaalsContact C-N 3.29Å; Q255-L257 PolarHBondContact O-N 2.86Å; L257-D287 HydrophobicContact CD2-CB 4.38Å; L257-L289 HydrophobicContact CB-CD1 4.07Å; L257-L289 HydrophobicContact CB-CG 4.48Å; L257-L289 HydrophobicContact CD1-CD1 3.81Å; L257-L289 HydrophobicContact CD1-CG 4.22Å; L257-L351 PolarHBondContact O-N 2.8Å |
| 258 | T | 91.4 | Very high | 86.4 | Confident | 22 Ų | 22 | 79.3 Ų | 79.3 | 14% | 0.135 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140 | 174 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | V288 L289 F349 R350 | T258-V288 CarbonylContact O-C 3.5Å; T258-V288 WeakPolarHBondContact O-CA 3.34Å; T258-V288 VanDerWaalsContact OG1-CG1 3.29Å; T258-V288 WeakPolarHBondContact OG1-CG1 3.18Å; T258-L289 PolarHBondContact O-N 2.71Å; T258-F349 CarbonylContact C-O 3.54Å; T258-F349 VanDerWaalsContact CA-O 3.27Å; T258-F349 WeakPolarHBondContact CA-O 3.39Å; T258-R350 HydrophobicContact CG2-CB 4.06Å; T258-R350 HydrophobicContact CG2-CG 3.88Å |
| 259 | V | 92.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.9 | 173 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | H261 F266 L274 L289 S348 F349 L351 | V259-H261 HydrophobicContact CG1-CB 4.35Å; V259-H261 PolarHBondContact O-N 2.65Å; V259-F266 HydrophobicContact CG1-CE2 4.27Å; V259-F266 HydrophobicContact CG1-CZ 3.95Å; V259-L274 HydrophobicContact CG1-CD1 4.35Å; V259-L274 HydrophobicContact CG1-CD2 4Å; V259-L274 HydrophobicContact CG2-CD1 4.04Å; V259-L289 CarbonylContact C-O 3.52Å; V259-L289 VanDerWaalsContact CA-O 3.26Å; V259-L289 WeakPolarHBondContact CA-O 3.47Å; V259-L289 HydrophobicContact CG2-CB 4.18Å; V259-S348 WeakPolarHBondContact O-CA 3.18Å; V259-S348 WeakPolarHBondContact O-CB 3.44Å; V259-F349 HydrophobicContact CB-CD1 4.45Å; V259-F349 HydrophobicContact CB-CD2 4.26Å; V259-F349 HydrophobicContact CB-CE1 4.03Å; V259-F349 HydrophobicContact CB-CE2 3.82Å; V259-F349 HydrophobicContact CB-CZ 3.7Å; V259-F349 HydrophobicContact CG1-CE1 4.07Å; V259-F349 HydrophobicContact CG1-CE2 4.43Å; V259-F349 HydrophobicContact CG1-CZ 3.83Å; V259-F349 HydrophobicContact CG2-CD2 4.42Å; V259-F349 HydrophobicContact CG2-CE2 3.79Å; V259-F349 HydrophobicContact CG2-CZ 4.02Å; V259-F349 PolarHBondContact N-O 3.35Å; V259-F349 PolarHBondContact O-N 3.38Å; V259-F349 VanDerWaalsContact O-N 3.11Å; V259-L351 HydrophobicContact CG2-CD1 4.3Å; V259-L351 HydrophobicContact CG2-CD2 3.95Å; V259-L351 HydrophobicContact CG2-CG 4.06Å |
| 260 | E | 91.7 | Very high | 88 | Confident | 37 Ų | 37 | 72.9 Ų | 72.9 | 17% | 0.173 | 39% | 0.39 | C | S | . | . | trans | -83.6 | 59 | 177.2 | -69.2 | -175 | 178.7 | 0 | 0 | 112.3 | K277 V288 L289 V290 P346 H347 | E260-K277 IonicContact OE1-NZ 3.17Å; E260-K277 PolarHBondContact OE1-NZ 3.41Å; E260-K277 WeakPolarHBondContact OE2-CD 3.41Å; E260-K277 WeakPolarHBondContact OE2-CE 3.47Å; E260-K277 IonicContact OE2-NZ 2.75Å; E260-K277 PolarHBondContact OE2-NZ 2.9Å; E260-V288 HydrophobicContact CG-CB 4.09Å; E260-V288 HydrophobicContact CG-CG1 4.47Å; E260-V288 HydrophobicContact CG-CG2 3.92Å; E260-L289 PolarHBondContact N-O 2.68Å; E260-V290 HydrophobicContact CB-CG2 4.1Å; E260-P346 HydrophobicContact CG-CG 4.39Å; E260-H347 CarbonylContact C-O 3.57Å; E260-H347 VanDerWaalsContact C-O 3.25Å | ||
| 261 | H | 90.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.005 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -142.5 | 154 | 168.1 | -69.2 | -54.8 | 0 | 0 | 0 | 110.5 | V259 I263 F266 N291 L294 E298 H347 F349 | V259-H261 HydrophobicContact CG1-CB 4.35Å; V259-H261 PolarHBondContact O-N 2.65Å; H261-I263 PolarHBondContact O-N 3.48Å; H261-F266 HydrophobicContact CB-CE2 3.78Å; H261-F266 HydrophobicContact CB-CZ 4.11Å; H261-N291 PolarHBondContact NE2-N 2.7Å; H261-N291 PolarHBondContact NE2-O 2.81Å; H261-L294 HydrophobicContact CB-CD1 4.12Å; H261-L294 WeakPolarHBondContact CE1-CB 3.27Å; H261-L294 WeakPolarHBondContact ND1-CB 3.42Å; H261-E298 IonicContact CE1-OE1 2.59Å; H261-E298 IonicContact CG-OE1 2.99Å; H261-E298 IonicContact ND1-OE1 3.79Å; H261-E298 PolarHBondContact ND1-OE1 3.33Å; H261-H347 CarbonylContact C-O 3.59Å; H261-H347 WeakPolarHBondContact CA-O 3.45Å; H261-H347 PolarHBondContact N-O 2.79Å; H261-H347 VanDerWaalsContact N-O 3.08Å; H261-F349 WeakPolarHBondContact O-CD1 3.49Å; H261-F349 VanDerWaalsContact O-CE1 3.27Å; H261-F349 WeakPolarHBondContact O-CE1 3.49Å |
| 262 | A | 89.9 | Confident | 88.7 | Confident | 28 Ų | 28 | 76.7 Ų | 76.7 | 23% | 0.231 | 40% | 0.403 | C | S | . | . | trans | -65.8 | 132.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | D264 S265 H347 | A262-D264 PolarHBondContact O-N 3.37Å; A262-S265 WeakPolarHBondContact O-CB 3.31Å; A262-S265 PolarHBondContact O-N 2.76Å; A262-S265 PolarHBondContact O-OG 3.31Å; A262-S265 VanDerWaalsContact O-OG 3.06Å; A262-H347 HydrophobicContact CB-CB 3.83Å | ||
| 263 | I | 87 | Confident | 89 | Confident | 33 Ų | 33 | 74.3 Ų | 74.3 | 17% | 0.169 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -57.8 | -34.3 | -176.5 | -167.3 | 150.8 | 0 | 0 | 0 | 113.2 | H261 S265 F266 F349 A357 E362 | H261-I263 PolarHBondContact O-N 3.48Å; I263-S265 PolarHBondContact O-N 3.02Å; I263-S265 VanDerWaalsContact O-N 3.09Å; I263-F266 PolarHBondContact O-N 3.48Å; I263-F349 HydrophobicContact CB-CD1 3.96Å; I263-F349 HydrophobicContact CB-CE1 3.98Å; I263-F349 HydrophobicContact CG1-CE1 4.32Å; I263-A357 HydrophobicContact CD1-CB 4.18Å; I263-E362 VanDerWaalsContact CG2-OE2 3.3Å; I263-E362 WeakPolarHBondContact CG2-OE2 3.37Å |
| 264 | D | 87.8 | Confident | 89.3 | Confident | 114 Ų | 114 | 72.3 Ų | 72.3 | 61% | 0.61 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -63.8 | -11.5 | 174.7 | -71.1 | -8.9 | 0 | 0 | 0 | 114.4 | A262 F266 R363 | A262-D264 PolarHBondContact O-N 3.37Å; D264-F266 VanDerWaalsContact C-N 3.3Å; D264-R363 IonicContact OD1-CZ 3.56Å; D264-R363 IonicContact OD1-NE 3.63Å; D264-R363 IonicContact OD1-NH2 2.68Å; D264-R363 PolarHBondContact OD1-NH2 3.23Å |
| 265 | S | 87.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -74.8 | -19.8 | 173.2 | -55.1 | 0 | 0 | 0 | 0 | 112.8 | A262 I263 | A262-S265 WeakPolarHBondContact O-CB 3.31Å; A262-S265 PolarHBondContact O-N 2.76Å; A262-S265 PolarHBondContact O-OG 3.31Å; A262-S265 VanDerWaalsContact O-OG 3.06Å; I263-S265 PolarHBondContact O-N 3.02Å; I263-S265 VanDerWaalsContact O-N 3.09Å |
| 266 | F | 89.1 | Confident | 89.8 | Confident | 63 Ų | 63 | 72 Ų | 72 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -90 | 111.4 | 179.5 | -63.6 | -88.9 | 0 | 0 | 0 | 109.8 | V259 H261 I263 D264 M272 L274 L294 F349 | V259-F266 HydrophobicContact CG1-CE2 4.27Å; V259-F266 HydrophobicContact CG1-CZ 3.95Å; H261-F266 HydrophobicContact CB-CE2 3.78Å; H261-F266 HydrophobicContact CB-CZ 4.11Å; I263-F266 PolarHBondContact O-N 3.48Å; D264-F266 VanDerWaalsContact C-N 3.3Å; F266-M272 HydrophobicContact CD1-CE 4.21Å; F266-M272 HydrophobicContact CD1-SD 4.46Å; F266-L274 HydrophobicContact CE1-CD2 4.28Å; F266-L274 HydrophobicContact CZ-CD2 4.17Å; F266-L294 HydrophobicContact CE1-CD1 4.17Å; F266-L294 HydrophobicContact CE2-CD1 4.28Å; F266-L294 HydrophobicContact CZ-CD1 3.9Å; F266-F349 HydrophobicContact CD2-CE1 4.21Å; F266-F349 HydrophobicContact CD2-CZ 4.18Å; F266-F349 AromaticContact CE2-CE1 3.77Å; F266-F349 HydrophobicContact CE2-CE1 3.77Å; F266-F349 AromaticContact CE2-CZ 3.79Å; F266-F349 HydrophobicContact CE2-CZ 3.79Å; F266-F349 HydrophobicContact CZ-CZ 4.45Å |
| 267 | R | 88.4 | Confident | 90.2 | Very high | 162 Ų | 162 | 75 Ų | 75 | 61% | 0.611 | 40% | 0.403 | S | S | * | . | trans | -89.7 | 135.2 | -179.2 | -68.8 | 167.7 | 174.9 | 178 | 1.1 | 111.1 | G269 E270 | R267-G269 PolarHBondContact O-N 3.38Å; R267-G269 VanDerWaalsContact O-N 3.15Å; R267-E270 HydrophobicContact CB-CB 4.19Å; R267-E270 HydrophobicContact CB-CG 4.06Å; R267-E270 WeakPolarHBondContact CD-OE1 3.39Å; R267-E270 IonicContact CZ-OE1 3.4Å; R267-E270 IonicContact NE-OE1 2.69Å; R267-E270 IonicContact NH1-OE1 2.71Å; R267-E270 PolarHBondContact NH1-OE1 2.88Å; R267-E270 IonicContact NH1-OE2 2.79Å; R267-E270 PolarHBondContact O-N 3.45Å | ||
| 268 | E | 88.7 | Confident | 90.2 | Very high | 207 Ų | 207 | 78.5 Ų | 78.5 | 97% | 0.967 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 118.3 | 172.8 | -65.1 | 173.5 | -151.6 | 0 | 0 | 110.7 | ||
| 269 | G | 87.3 | Confident | 90.2 | Very high | 83 Ų | 83 | 79.4 Ų | 79.4 | 86% | 0.856 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -8.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | R267 | R267-G269 PolarHBondContact O-N 3.38Å; R267-G269 VanDerWaalsContact O-N 3.15Å |
| 270 | E | 89.1 | Confident | 90.2 | Very high | 92 Ų | 92 | 81.1 Ų | 81.1 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | trans | -91.6 | 104.1 | 170.9 | -69.9 | -174.7 | -161.7 | 0 | 0 | 110.4 | R267 M272 | R267-E270 HydrophobicContact CB-CB 4.19Å; R267-E270 HydrophobicContact CB-CG 4.06Å; R267-E270 WeakPolarHBondContact CD-OE1 3.39Å; R267-E270 IonicContact CZ-OE1 3.4Å; R267-E270 IonicContact NE-OE1 2.69Å; R267-E270 IonicContact NH1-OE1 2.71Å; R267-E270 PolarHBondContact NH1-OE1 2.88Å; R267-E270 IonicContact NH1-OE2 2.79Å; R267-E270 PolarHBondContact O-N 3.45Å; E270-M272 HydrophobicContact CB-CE 4.03Å; E270-M272 PolarHBondContact O-N 2.81Å | ||
| 271 | T | 89.9 | Confident | 90.1 | Very high | 148 Ų | 148 | 86.5 Ų | 86.5 | 91% | 0.908 | 48% | 0.476 | S | S | * | . | trans | -73.4 | 118.1 | 174.9 | 45.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 272 | M | 89.7 | Confident | 90.1 | Very high | 46 Ų | 46 | 94.3 Ų | 94.3 | 23% | 0.227 | 52% | 0.517 | C | S | . | . | trans | -117.4 | 130.7 | -178.2 | -78.4 | -176.6 | -106 | 0 | 0 | 111.3 | F266 E270 N291 L294 | F266-M272 HydrophobicContact CD1-CE 4.21Å; F266-M272 HydrophobicContact CD1-SD 4.46Å; E270-M272 HydrophobicContact CB-CE 4.03Å; E270-M272 PolarHBondContact O-N 2.81Å; M272-N291 PolarHBondContact SD-ND2 2.81Å; M272-N291 VanDerWaalsContact SD-ND2 3.38Å; M272-L294 HydrophobicContact SD-CD1 4.23Å; M272-L294 HydrophobicContact SD-CD2 4.33Å; M272-L294 HydrophobicContact SD-CG 4.38Å | ||
| 273 | I | 91.7 | Very high | 90 | Very high | 137 Ų | 137 | 97.9 Ų | 97.9 | 70% | 0.703 | 53% | 0.529 | S | S | * | . | trans | -79.6 | 127.5 | 175.9 | -59.9 | 172.5 | 0 | 0 | 0 | 108.7 | T275 | I273-T275 HydrophobicContact CG2-CG2 4.46Š| ||
| 274 | L | 91.2 | Very high | 90 | Very high | 56 Ų | 56 | 106 Ų | 106 | 29% | 0.293 | 57% | 0.567 | S | S | . | * | trans | -95.8 | 141.8 | 168.4 | -65.9 | 171 | 0 | 0 | 0 | 109.7 | V259 F266 L289 N291 | V259-L274 HydrophobicContact CG1-CD1 4.35Å; V259-L274 HydrophobicContact CG1-CD2 4Å; V259-L274 HydrophobicContact CG2-CD1 4.04Å; F266-L274 HydrophobicContact CE1-CD2 4.28Å; F266-L274 HydrophobicContact CZ-CD2 4.17Å; L274-L289 HydrophobicContact CB-CB 4.22Å; L274-L289 HydrophobicContact CB-CD2 4.5Å; L274-L289 HydrophobicContact CD1-CB 4.23Å; L274-L289 HydrophobicContact CD1-CD1 4.43Å; L274-N291 HydrophobicContact CD2-CB 4.1Å | ||
| 275 | T | 92.8 | Very high | 89.9 | Confident | 62 Ų | 62 | 105.8 Ų | 105.8 | 38% | 0.38 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.6 | 151.1 | 176.9 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | I273 V290 | I273-T275 HydrophobicContact CG2-CG2 4.46Å; T275-V290 PolarHBondContact N-O 3.35Å; T275-V290 PolarHBondContact O-N 2.75Å; T275-V290 PolarHBondContact OG1-O 3.01Å |
| 276 | L | 93.4 | Very high | 89.9 | Confident | 109 Ų | 109 | 109 Ų | 109 | 57% | 0.571 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.5 | 136.5 | 172.6 | -69.9 | 165.6 | 0 | 0 | 0 | 110.6 | D287 L289 | L276-D287 HydrophobicContact CD2-CB 4.27Å; L276-L289 HydrophobicContact CD2-CD2 3.95Å; L276-L289 HydrophobicContact CG-CD2 4.38Å |
| 277 | K | 92.9 | Very high | 90 | Very high | 87 Ų | 87 | 110.3 Ų | 110.3 | 38% | 0.378 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -66.3 | 141.7 | 172 | -175.5 | 176.3 | 175.9 | 171.7 | 0 | 110.3 | E260 K279 V288 V290 | E260-K277 IonicContact OE1-NZ 3.17Å; E260-K277 PolarHBondContact OE1-NZ 3.41Å; E260-K277 WeakPolarHBondContact OE2-CD 3.41Å; E260-K277 WeakPolarHBondContact OE2-CE 3.47Å; E260-K277 IonicContact OE2-NZ 2.75Å; E260-K277 PolarHBondContact OE2-NZ 2.9Å; K277-K279 PolarHBondContact O-N 3.37Å; K277-V288 HydrophobicContact CB-CG2 3.44Å; K277-V288 VanDerWaalsContact CB-CG2 3.44Å; K277-V288 HydrophobicContact CD-CG2 3.37Å; K277-V288 HydrophobicContact CG-CG2 4.06Å; K277-V288 PolarHBondContact N-O 3.25Å; K277-V290 HydrophobicContact CB-CG2 3.92Å; K277-V290 HydrophobicContact CD-CG2 4.42Å; K277-V290 HydrophobicContact CG-CG2 4.46Å |
| 278 | D | 91.6 | Very high | 90.1 | Very high | 119 Ų | 119 | 103 Ų | 103 | 64% | 0.636 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 118.6 | 176.1 | -153.2 | -37.1 | 0 | 0 | 0 | 110.2 | K699 | D278-K699 IonicContact OD2-NZ 3.99Å; D278-K699 PolarHBondContact OD2-NZ 2.75Å |
| 279 | K | 90.3 | Very high | 90.3 | Very high | 42 Ų | 42 | 93.9 Ų | 93.9 | 18% | 0.183 | 51% | 0.513 | C | S | . | . | trans | -132.3 | 143.8 | -179.6 | -70 | -162 | 175 | -148.5 | 0 | 110.4 | K277 E285 E286 | K277-K279 PolarHBondContact O-N 3.37Å; K279-E285 IonicContact NZ-OE2 2.66Å; K279-E285 PolarHBondContact NZ-OE2 3.38Å; K279-E286 WeakPolarHBondContact CE-O 3.4Å; K279-E286 PolarHBondContact NZ-O 3.14Å | ||
| 280 | G | 92.5 | Very high | 90.6 | Very high | 36 Ų | 36 | 90.6 Ų | 90.6 | 37% | 0.371 | 48% | 0.476 | S | S | . | . | trans | -72.7 | 129.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L282 Q283 | G280-L282 PolarHBondContact O-N 3.45Å; G280-Q283 WeakPolarHBondContact O-CB 3.4Å; G280-Q283 PolarHBondContact O-N 2.91Å | ||
| 281 | V | 90.6 | Very high | 90.9 | Very high | 150 Ų | 150 | 86.5 Ų | 86.5 | 91% | 0.909 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -12 | -175.6 | -173.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 282 | L | 90.9 | Very high | 91 | Very high | 166 Ų | 166 | 83.4 Ų | 83.4 | 87% | 0.869 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 2.9 | 175.1 | -77.4 | 73.1 | 0 | 0 | 0 | 113.3 | G280 | G280-L282 PolarHBondContact O-N 3.45Š|
| 283 | Q | 87.8 | Confident | 91.1 | Very high | 102 Ų | 102 | 86.4 Ų | 86.4 | 48% | 0.477 | 46% | 0.455 | S | S | . | . | trans | -95.8 | 105.6 | 176.2 | -62.6 | 175.5 | -99.3 | 0 | 0 | 108.7 | G280 E285 | G280-Q283 WeakPolarHBondContact O-CB 3.4Å; G280-Q283 PolarHBondContact O-N 2.91Å; Q283-E285 HydrophobicContact CB-CG 4.37Å; Q283-E285 PolarHBondContact NE2-OE1 2.97Å; Q283-E285 PolarHBondContact O-N 3.5Å | ||
| 284 | E | 87.7 | Confident | 91 | Very high | 205 Ų | 205 | 80.1 Ų | 80.1 | 96% | 0.958 | 42% | 0.423 | S | S | * | . | trans | -76.3 | 51.4 | 178.4 | -61.1 | 178.1 | 169.7 | 0 | 0 | 111.7 | ||||
| 285 | E | 85.3 | Confident | 91 | Very high | 108 Ų | 108 | 80.1 Ų | 80.1 | 51% | 0.505 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -100.3 | 151.3 | 175.8 | -62.5 | 171.9 | -159 | 0 | 0 | 110.5 | K279 Q283 D287 | K279-E285 IonicContact NZ-OE2 2.66Å; K279-E285 PolarHBondContact NZ-OE2 3.38Å; Q283-E285 HydrophobicContact CB-CG 4.37Å; Q283-E285 PolarHBondContact NE2-OE1 2.97Å; Q283-E285 PolarHBondContact O-N 3.5Å; E285-D287 PolarHBondContact O-N 3.32Å |
| 286 | E | 87.3 | Confident | 91 | Very high | 109 Ų | 109 | 81.6 Ų | 81.6 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 138.9 | 173.7 | -62.7 | -166.4 | 142 | 0 | 0 | 111.6 | K279 V288 R350 | K279-E286 WeakPolarHBondContact CE-O 3.4Å; K279-E286 PolarHBondContact NZ-O 3.14Å; E286-V288 WeakPolarHBondContact O-CG1 3.48Å; E286-R350 IonicContact OE1-CZ 3.83Å; E286-R350 IonicContact OE1-NH1 2.84Å; E286-R350 PolarHBondContact OE1-NH1 3.44Å; E286-R350 IonicContact OE1-NH2 2.8Å; E286-R350 PolarHBondContact OE1-NH2 2.93Å; E286-R350 IonicContact OE2-CZ 3.11Å; E286-R350 IonicContact OE2-NH1 2.81Å; E286-R350 PolarHBondContact OE2-NH1 3.43Å; E286-R350 IonicContact OE2-NH2 3.2Å; E286-R350 PolarHBondContact OE2-NH2 2.94Å |
| 287 | D | 90.2 | Very high | 90.9 | Very high | 90 Ų | 90 | 81.4 Ų | 81.4 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 141.1 | 174.1 | -85.9 | -41.6 | 0 | 0 | 0 | 111.5 | L257 L276 E285 | L257-D287 HydrophobicContact CD2-CB 4.38Å; L276-D287 HydrophobicContact CD2-CB 4.27Å; E285-D287 PolarHBondContact O-N 3.32Å |
| 288 | V | 91.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 79.4 Ų | 79.4 | 6% | 0.055 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.2 | -172.4 | -44.8 | 0 | 0 | 0 | 0 | 112.5 | T258 E260 K277 E286 V290 | T258-V288 CarbonylContact O-C 3.5Å; T258-V288 WeakPolarHBondContact O-CA 3.34Å; T258-V288 VanDerWaalsContact OG1-CG1 3.29Å; T258-V288 WeakPolarHBondContact OG1-CG1 3.18Å; E260-V288 HydrophobicContact CG-CB 4.09Å; E260-V288 HydrophobicContact CG-CG1 4.47Å; E260-V288 HydrophobicContact CG-CG2 3.92Å; K277-V288 HydrophobicContact CB-CG2 3.44Å; K277-V288 VanDerWaalsContact CB-CG2 3.44Å; K277-V288 HydrophobicContact CD-CG2 3.37Å; K277-V288 HydrophobicContact CG-CG2 4.06Å; K277-V288 PolarHBondContact N-O 3.25Å; E286-V288 WeakPolarHBondContact O-CG1 3.48Å; V288-V290 HydrophobicContact CG2-CG2 4.19Å |
| 289 | L | 92.4 | Very high | 90.6 | Very high | 16 Ų | 16 | 81.3 Ų | 81.3 | 8% | 0.084 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 135.2 | -176.8 | -70.4 | 175.2 | 0 | 0 | 0 | 111.3 | L257 T258 V259 E260 L274 L276 L351 | L257-L289 HydrophobicContact CB-CD1 4.07Å; L257-L289 HydrophobicContact CB-CG 4.48Å; L257-L289 HydrophobicContact CD1-CD1 3.81Å; L257-L289 HydrophobicContact CD1-CG 4.22Å; T258-L289 PolarHBondContact O-N 2.71Å; V259-L289 CarbonylContact C-O 3.52Å; V259-L289 VanDerWaalsContact CA-O 3.26Å; V259-L289 WeakPolarHBondContact CA-O 3.47Å; V259-L289 HydrophobicContact CG2-CB 4.18Å; E260-L289 PolarHBondContact N-O 2.68Å; L274-L289 HydrophobicContact CB-CB 4.22Å; L274-L289 HydrophobicContact CB-CD2 4.5Å; L274-L289 HydrophobicContact CD1-CB 4.23Å; L274-L289 HydrophobicContact CD1-CD1 4.43Å; L276-L289 HydrophobicContact CD2-CD2 3.95Å; L276-L289 HydrophobicContact CG-CD2 4.38Å; L289-L351 HydrophobicContact CD1-CD1 4.07Å |
| 290 | V | 94 | Very high | 90.7 | Very high | 13 Ų | 13 | 81.9 Ų | 81.9 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 131.6 | -165.1 | 173.7 | 0 | 0 | 0 | 0 | 110.1 | E260 T275 K277 V288 V295 | E260-V290 HydrophobicContact CB-CG2 4.1Å; T275-V290 PolarHBondContact N-O 3.35Å; T275-V290 PolarHBondContact O-N 2.75Å; T275-V290 PolarHBondContact OG1-O 3.01Å; K277-V290 HydrophobicContact CB-CG2 3.92Å; K277-V290 HydrophobicContact CD-CG2 4.42Å; K277-V290 HydrophobicContact CG-CG2 4.46Å; V288-V290 HydrophobicContact CG2-CG2 4.19Å; V290-V295 HydrophobicContact CG1-CG2 3.1Å |
| 291 | N | 94.2 | Very high | 90.5 | Very high | 7 Ų | 7 | 86.3 Ų | 86.3 | 4% | 0.037 | 44% | 0.439 | C | S | . | . | trans | -92.8 | 117 | 168.6 | 178 | -4.8 | 0 | 0 | 0 | 109.1 | H261 M272 L274 N293 L294 V295 | H261-N291 PolarHBondContact NE2-N 2.7Å; H261-N291 PolarHBondContact NE2-O 2.81Å; M272-N291 PolarHBondContact SD-ND2 2.81Å; M272-N291 VanDerWaalsContact SD-ND2 3.38Å; L274-N291 HydrophobicContact CD2-CB 4.1Å; N291-N293 PolarHBondContact O-N 2.8Å; N291-N293 VanDerWaalsContact O-N 3.08Å; N291-N293 WeakPolarHBondContact OD1-CB 3.42Å; N291-N293 PolarHBondContact OD1-N 3.24Å; N291-N293 PolarHBondContact OD1-ND2 3.21Å; N291-L294 HydrophobicContact CB-CB 4.25Å; N291-L294 HydrophobicContact CB-CD1 4.11Å; N291-L294 HydrophobicContact CB-CG 4.02Å; N291-L294 PolarHBondContact O-N 3.34Å; N291-V295 PolarHBondContact O-N 2.81Å; N291-V295 VanDerWaalsContact O-N 3.08Å | ||
| 292 | V | 91.8 | Very high | 90.3 | Very high | 82 Ų | 82 | 82.8 Ų | 82.8 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -48.4 | -40.1 | 177.5 | -174.8 | 0 | 0 | 0 | 0 | 112.3 | L294 V295 D296 | V292-L294 VanDerWaalsContact C-N 3.29Å; V292-L294 PolarHBondContact O-N 2.78Å; V292-V295 PolarHBondContact O-N 3.5Å; V292-D296 PolarHBondContact O-N 2.76Å; V292-D296 VanDerWaalsContact O-N 3.08Å |
| 293 | N | 92.4 | Very high | 90.1 | Very high | 109 Ų | 109 | 79 Ų | 79 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -71.2 | -19.7 | -179.5 | -57.7 | -85.1 | 0 | 0 | 0 | 113.9 | N291 K297 | N291-N293 PolarHBondContact O-N 2.8Å; N291-N293 VanDerWaalsContact O-N 3.08Å; N291-N293 WeakPolarHBondContact OD1-CB 3.42Å; N291-N293 PolarHBondContact OD1-N 3.24Å; N291-N293 PolarHBondContact OD1-ND2 3.21Å; N293-K297 VanDerWaalsContact O-CD 3.23Å; N293-K297 WeakPolarHBondContact O-CD 3.42Å; N293-K297 VanDerWaalsContact O-CE 3.25Å; N293-K297 WeakPolarHBondContact O-CE 3.3Å; N293-K297 WeakPolarHBondContact O-CG 3.27Å |
| 294 | L | 89.9 | Confident | 90.3 | Very high | 6 Ų | 6 | 77.3 Ų | 77.3 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -88.5 | -39.8 | 173.6 | -64.9 | -177.5 | 0 | 0 | 0 | 110.4 | H261 F266 M272 N291 V292 D296 K297 E298 | H261-L294 HydrophobicContact CB-CD1 4.12Å; H261-L294 WeakPolarHBondContact CE1-CB 3.27Å; H261-L294 WeakPolarHBondContact ND1-CB 3.42Å; F266-L294 HydrophobicContact CE1-CD1 4.17Å; F266-L294 HydrophobicContact CE2-CD1 4.28Å; F266-L294 HydrophobicContact CZ-CD1 3.9Å; M272-L294 HydrophobicContact SD-CD1 4.23Å; M272-L294 HydrophobicContact SD-CD2 4.33Å; M272-L294 HydrophobicContact SD-CG 4.38Å; N291-L294 HydrophobicContact CB-CB 4.25Å; N291-L294 HydrophobicContact CB-CD1 4.11Å; N291-L294 HydrophobicContact CB-CG 4.02Å; N291-L294 PolarHBondContact O-N 3.34Å; V292-L294 VanDerWaalsContact C-N 3.29Å; V292-L294 PolarHBondContact O-N 2.78Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.37Å; L294-K297 HydrophobicContact CD2-CD 4.08Å; L294-K297 WeakPolarHBondContact O-CB 3.42Å; L294-K297 PolarHBondContact O-N 2.85Å; L294-K297 VanDerWaalsContact O-N 3.14Å; L294-E298 WeakPolarHBondContact O-CG 3.49Å; L294-E298 PolarHBondContact O-N 3.05Å |
| 295 | V | 91.9 | Very high | 90.2 | Very high | 55 Ų | 55 | 72.1 Ų | 72.1 | 33% | 0.333 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -53.8 | -49.4 | 171.7 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | V290 N291 V292 K297 E298 R299 | V290-V295 HydrophobicContact CG1-CG2 3.1Å; N291-V295 PolarHBondContact O-N 2.81Å; N291-V295 VanDerWaalsContact O-N 3.08Å; V292-V295 PolarHBondContact O-N 3.5Å; V295-K297 VanDerWaalsContact C-N 3.31Å; V295-K297 PolarHBondContact O-N 2.97Å; V295-E298 PolarHBondContact O-N 3.07Å; V295-R299 WeakPolarHBondContact O-CB 3.45Å; V295-R299 PolarHBondContact O-N 3.29Å |
| 296 | D | 91.4 | Very high | 90 | Very high | 94 Ų | 94 | 70.3 Ų | 70.3 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.9 | -28.8 | -178.3 | -82.2 | -28.4 | 0 | 0 | 0 | 112.8 | V292 L294 A300 | V292-D296 PolarHBondContact O-N 2.76Å; V292-D296 VanDerWaalsContact O-N 3.08Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.37Å; D296-A300 WeakPolarHBondContact O-CB 3.29Å; D296-A300 PolarHBondContact O-N 2.82Å |
| 297 | K | 91.3 | Very high | 89.8 | Confident | 105 Ų | 105 | 74.2 Ų | 74.2 | 46% | 0.457 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.2 | -56.4 | 170.9 | -71.9 | 168.1 | -164.5 | 169.4 | 0 | 111 | N293 L294 V295 R299 A300 E301 | N293-K297 VanDerWaalsContact O-CD 3.23Å; N293-K297 WeakPolarHBondContact O-CD 3.42Å; N293-K297 VanDerWaalsContact O-CE 3.25Å; N293-K297 WeakPolarHBondContact O-CE 3.3Å; N293-K297 WeakPolarHBondContact O-CG 3.27Å; L294-K297 HydrophobicContact CD2-CD 4.08Å; L294-K297 WeakPolarHBondContact O-CB 3.42Å; L294-K297 PolarHBondContact O-N 2.85Å; L294-K297 VanDerWaalsContact O-N 3.14Å; V295-K297 VanDerWaalsContact C-N 3.31Å; V295-K297 PolarHBondContact O-N 2.97Å; K297-R299 PolarHBondContact O-N 2.87Å; K297-A300 WeakPolarHBondContact O-CB 3.29Å; K297-A300 PolarHBondContact O-N 3.07Å; K297-E301 WeakPolarHBondContact O-CB 3.34Å; K297-E301 WeakPolarHBondContact O-CG 3.5Å; K297-E301 PolarHBondContact O-N 3.38Å |
| 298 | E | 89.3 | Confident | 89.5 | Confident | 44 Ų | 44 | 77.5 Ų | 77.5 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.4 | -43.2 | 178.6 | -72.3 | 178.5 | -148.5 | 0 | 0 | 111.2 | H261 L294 V295 E301 K302 | H261-E298 IonicContact CE1-OE1 2.59Å; H261-E298 IonicContact CG-OE1 2.99Å; H261-E298 IonicContact ND1-OE1 3.79Å; H261-E298 PolarHBondContact ND1-OE1 3.33Å; L294-E298 WeakPolarHBondContact O-CG 3.49Å; L294-E298 PolarHBondContact O-N 3.05Å; V295-E298 PolarHBondContact O-N 3.07Å; E298-E301 PolarHBondContact O-N 2.9Å; E298-K302 VanDerWaalsContact O-CB 3.29Å; E298-K302 WeakPolarHBondContact O-CB 3.34Å; E298-K302 VanDerWaalsContact O-CG 3.23Å; E298-K302 WeakPolarHBondContact O-CG 3.48Å; E298-K302 PolarHBondContact O-N 2.86Å |
| 299 | R | 90.6 | Very high | 88.9 | Confident | 159 Ų | 159 | 81.9 Ų | 81.9 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 177.2 | -168.6 | -178.9 | -164.8 | -176.8 | 10.3 | 112 | V295 K297 N303 | V295-R299 WeakPolarHBondContact O-CB 3.45Å; V295-R299 PolarHBondContact O-N 3.29Å; K297-R299 PolarHBondContact O-N 2.87Å; R299-N303 VanDerWaalsContact O-CB 3.31Å; R299-N303 WeakPolarHBondContact O-CB 3.43Å; R299-N303 PolarHBondContact O-N 3.35Å; R299-N303 PolarHBondContact O-ND2 2.86Å |
| 300 | A | 90.6 | Very high | 88 | Confident | 54 Ų | 54 | 88.1 Ų | 88.1 | 45% | 0.446 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D296 K297 N303 V304 | D296-A300 WeakPolarHBondContact O-CB 3.29Å; D296-A300 PolarHBondContact O-N 2.82Å; K297-A300 WeakPolarHBondContact O-CB 3.29Å; K297-A300 PolarHBondContact O-N 3.07Å; A300-N303 PolarHBondContact O-N 3.42Å; A300-V304 WeakPolarHBondContact O-CB 3.41Å; A300-V304 WeakPolarHBondContact O-CG2 3.2Å; A300-V304 PolarHBondContact O-N 2.95Å |
| 301 | E | 89.8 | Confident | 86.6 | Confident | 130 Ų | 130 | 91.7 Ų | 91.7 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.9 | -50 | 178.3 | -72.7 | 174.9 | -176.4 | 0 | 0 | 111.1 | K297 E298 N303 V304 E305 | K297-E301 WeakPolarHBondContact O-CB 3.34Å; K297-E301 WeakPolarHBondContact O-CG 3.5Å; K297-E301 PolarHBondContact O-N 3.38Å; E298-E301 PolarHBondContact O-N 2.9Å; E301-N303 VanDerWaalsContact C-N 3.3Å; E301-N303 PolarHBondContact O-N 2.91Å; E301-V304 CarbonylContact O-C 3.57Å; E301-V304 WeakPolarHBondContact O-CA 3.45Å; E301-V304 PolarHBondContact O-N 2.96Å; E301-E305 WeakPolarHBondContact O-CG 3.49Å; E301-E305 PolarHBondContact O-N 3.28Å |
| 302 | K | 86 | Confident | 84.9 | Confident | 75 Ų | 75 | 98.3 Ų | 98.3 | 33% | 0.326 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -52.1 | -45.2 | 169.8 | -74.5 | 171.4 | 177.3 | 179.6 | 0 | 111.9 | E298 V304 E305 L306 E344 | E298-K302 VanDerWaalsContact O-CB 3.29Å; E298-K302 WeakPolarHBondContact O-CB 3.34Å; E298-K302 VanDerWaalsContact O-CG 3.23Å; E298-K302 WeakPolarHBondContact O-CG 3.48Å; E298-K302 PolarHBondContact O-N 2.86Å; K302-V304 PolarHBondContact O-N 3.1Å; K302-E305 PolarHBondContact O-N 3.45Å; K302-L306 WeakPolarHBondContact O-CB 3.36Å; K302-L306 VanDerWaalsContact O-CG 3.32Å; K302-L306 WeakPolarHBondContact O-CG 3.46Å; K302-L306 PolarHBondContact O-N 3.06Å; K302-E344 WeakPolarHBondContact CD-OE2 3.39Å; K302-E344 WeakPolarHBondContact CE-OE2 3.24Å; K302-E344 IonicContact NZ-OE2 2.72Å; K302-E344 PolarHBondContact NZ-OE2 2.86Å |
| 303 | N | 87.5 | Confident | 83.4 | Confident | 87 Ų | 87 | 104.2 Ų | 104.2 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -32.8 | 176.8 | -86.6 | -75.7 | 0 | 0 | 0 | 113.6 | R299 A300 E301 R307 | R299-N303 VanDerWaalsContact O-CB 3.31Å; R299-N303 WeakPolarHBondContact O-CB 3.43Å; R299-N303 PolarHBondContact O-N 3.35Å; R299-N303 PolarHBondContact O-ND2 2.86Å; A300-N303 PolarHBondContact O-N 3.42Å; E301-N303 VanDerWaalsContact C-N 3.3Å; E301-N303 PolarHBondContact O-N 2.91Å; N303-R307 WeakPolarHBondContact O-CB 3.48Å; N303-R307 WeakPolarHBondContact O-CD 3.33Å; N303-R307 WeakPolarHBondContact O-CG 3.41Å; N303-R307 PolarHBondContact O-N 2.93Å |
| 304 | V | 90.9 | Very high | 82 | Confident | 67 Ų | 67 | 104.7 Ų | 104.7 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.1 | -40.7 | 173.9 | 165.5 | 0 | 0 | 0 | 0 | 110.5 | A300 E301 K302 R307 K308 | A300-V304 WeakPolarHBondContact O-CB 3.41Å; A300-V304 WeakPolarHBondContact O-CG2 3.2Å; A300-V304 PolarHBondContact O-N 2.95Å; E301-V304 CarbonylContact O-C 3.57Å; E301-V304 WeakPolarHBondContact O-CA 3.45Å; E301-V304 PolarHBondContact O-N 2.96Å; K302-V304 PolarHBondContact O-N 3.1Å; V304-R307 CarbonylContact O-C 3.47Å; V304-R307 WeakPolarHBondContact O-CB 3.31Å; V304-R307 PolarHBondContact O-N 3.31Å; V304-K308 HydrophobicContact CG1-CD 4.24Å; V304-K308 WeakPolarHBondContact O-CG 3.31Å; V304-K308 PolarHBondContact O-N 3.45Å |
| 305 | E | 85.6 | Confident | 80.6 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 172.6 | -72.5 | -150.2 | 164.5 | 0 | 0 | 112 | E301 K302 R307 K308 K309 | E301-E305 WeakPolarHBondContact O-CG 3.49Å; E301-E305 PolarHBondContact O-N 3.28Å; K302-E305 PolarHBondContact O-N 3.45Å; E305-R307 PolarHBondContact O-N 2.78Å; E305-K308 CarbonylContact O-C 3.34Å; E305-K308 WeakPolarHBondContact O-CA 3.49Å; E305-K308 PolarHBondContact O-N 2.96Å; E305-K309 VanDerWaalsContact O-CB 3.3Å; E305-K309 WeakPolarHBondContact O-CB 3.47Å; E305-K309 WeakPolarHBondContact O-CG 3.08Å; E305-K309 PolarHBondContact O-N 2.81Å; E305-K309 WeakPolarHBondContact OE2-CE 3.5Å; E305-K309 IonicContact OE2-NZ 3.47Å |
| 306 | L | 82.1 | Confident | 78.9 | Confident | 70 Ų | 70 | 116.1 Ų | 116.1 | 37% | 0.366 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.5 | -18.4 | 174.4 | -74.7 | 171.3 | 0 | 0 | 0 | 113.3 | K302 K310 E339 | K302-L306 WeakPolarHBondContact O-CB 3.36Å; K302-L306 VanDerWaalsContact O-CG 3.32Å; K302-L306 WeakPolarHBondContact O-CG 3.46Å; K302-L306 PolarHBondContact O-N 3.06Å; L306-K310 VanDerWaalsContact O-CD 3.29Å; L306-K310 WeakPolarHBondContact O-CD 3.34Å; L306-K310 VanDerWaalsContact O-CE 3.29Å; L306-K310 WeakPolarHBondContact O-CE 3.5Å; L306-K310 VanDerWaalsContact O-CG 3.26Å; L306-K310 WeakPolarHBondContact O-CG 3.15Å; L306-E339 WeakPolarHBondContact CD2-OE2 3.26Å |
| 307 | R | 82.8 | Confident | 77.2 | Confident | 192 Ų | 192 | 114.5 Ų | 114.5 | 73% | 0.725 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -89.2 | -25.5 | 171 | -73 | 172.5 | 64.7 | -165.9 | -2.9 | 113.6 | N303 V304 E305 | N303-R307 WeakPolarHBondContact O-CB 3.48Å; N303-R307 WeakPolarHBondContact O-CD 3.33Å; N303-R307 WeakPolarHBondContact O-CG 3.41Å; N303-R307 PolarHBondContact O-N 2.93Å; V304-R307 CarbonylContact O-C 3.47Å; V304-R307 WeakPolarHBondContact O-CB 3.31Å; V304-R307 PolarHBondContact O-N 3.31Å; E305-R307 PolarHBondContact O-N 2.78Å |
| 308 | K | 83.9 | Confident | 75.2 | Confident | 159 Ų | 159 | 118.1 Ų | 118.1 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -79.8 | -40.6 | 169.8 | -66.9 | 166 | 178.8 | 172.1 | 0 | 112 | V304 E305 K310 | V304-K308 HydrophobicContact CG1-CD 4.24Å; V304-K308 WeakPolarHBondContact O-CG 3.31Å; V304-K308 PolarHBondContact O-N 3.45Å; E305-K308 CarbonylContact O-C 3.34Å; E305-K308 WeakPolarHBondContact O-CA 3.49Å; E305-K308 PolarHBondContact O-N 2.96Å; K308-K310 PolarHBondContact O-N 3.22Å |
| 309 | K | 77.7 | Confident | 73.6 | Confident | 101 Ų | 101 | 122.1 Ų | 122.1 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -68 | -5.2 | 175.3 | -69.9 | 175 | 178.6 | 173.9 | 0 | 113.3 | E305 P311 E339 | E305-K309 VanDerWaalsContact O-CB 3.3Å; E305-K309 WeakPolarHBondContact O-CB 3.47Å; E305-K309 WeakPolarHBondContact O-CG 3.08Å; E305-K309 PolarHBondContact O-N 2.81Å; E305-K309 WeakPolarHBondContact OE2-CE 3.5Å; E305-K309 IonicContact OE2-NZ 3.47Å; K309-P311 WeakPolarHBondContact O-CD 3.36Å; K309-E339 IonicContact NZ-OE1 3.25Å; K309-E339 PolarHBondContact NZ-OE1 2.94Å; K309-E339 IonicContact NZ-OE2 3.78Å |
| 310 | K | 75.4 | Confident | 71.6 | Confident | 146 Ų | 146 | 123 Ų | 123 | 64% | 0.635 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -86.4 | 98.2 | 167.5 | -80.4 | 167.6 | -169.9 | 178.1 | 0 | 108.2 | L306 K308 | L306-K310 VanDerWaalsContact O-CD 3.29Å; L306-K310 WeakPolarHBondContact O-CD 3.34Å; L306-K310 VanDerWaalsContact O-CE 3.29Å; L306-K310 WeakPolarHBondContact O-CE 3.5Å; L306-K310 VanDerWaalsContact O-CG 3.26Å; L306-K310 WeakPolarHBondContact O-CG 3.15Å; K308-K310 PolarHBondContact O-N 3.22Å |
| 311 | P | 62.9 | Low | 69.4 | Low | 88 Ų | 88 | 124.7 Ų | 124.7 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | trans | -63.3 | 140.3 | 171.1 | 29.2 | -35.7 | 0 | 0 | 0 | 109 | K309 Y313 | K309-P311 WeakPolarHBondContact O-CD 3.36Å; P311-Y313 PolarHBondContact O-N 2.83Å | ||
| 312 | D | 59.1 | Low | 67.4 | Low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | trans | -57.9 | 137 | 158.6 | -80.2 | -44.8 | 0 | 0 | 0 | 108.4 | L314 | D312-L314 PolarHBondContact O-N 2.89Š| ||
| 313 | Y | 60.3 | Low | 65.4 | Low | 206 Ų | 206 | 129.1 Ų | 129.1 | 81% | 0.808 | 64% | 0.644 | S | S | * | * | trans | -73.9 | 91 | -174.5 | -178.5 | -111.1 | 0 | 0 | 0 | 110.3 | P311 P315 | P311-Y313 PolarHBondContact O-N 2.83Å; Y313-P315 HydrophobicContact CD1-CG 3.98Å; Y313-P315 HydrophobicContact CE1-CG 3.61Å; Y313-P315 WeakPolarHBondContact O-CD 3.25Å | ||
| 314 | L | 63.3 | Low | 63.3 | Low | 119 Ų | 119 | 129.7 Ų | 129.7 | 62% | 0.623 | 65% | 0.647 | S | S | * | * | trans | -104.7 | 95.2 | 177 | -63.5 | 179 | 0 | 0 | 0 | 109.6 | D312 Y316 A317 | D312-L314 PolarHBondContact O-N 2.89Å; L314-Y316 PolarHBondContact O-N 3.12Å; L314-A317 HydrophobicContact CB-CB 3.67Å; L314-A317 HydrophobicContact CD1-CB 4.05Å; L314-A317 PolarHBondContact O-N 3.48Å | ||
| 315 | P | 60.1 | Low | 61.4 | Low | 81 Ų | 81 | 134.8 Ų | 134.8 | 53% | 0.526 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.3 | -4.3 | -168.6 | -19.9 | 34.4 | 0 | 0 | 0 | 115.7 | Y313 | Y313-P315 HydrophobicContact CD1-CG 3.98Å; Y313-P315 HydrophobicContact CE1-CG 3.61Å; Y313-P315 WeakPolarHBondContact O-CD 3.25Å |
| 316 | Y | 57.1 | Low | 59.9 | Low | 220 Ų | 220 | 134.6 Ų | 134.6 | 86% | 0.863 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | 14.3 | -176.2 | -61.8 | -75.2 | 0 | 0 | 0 | 112.5 | L314 E318 | L314-Y316 PolarHBondContact O-N 3.12Å; Y316-E318 PolarHBondContact O-N 3.17Å |
| 317 | A | 55 | Low | 58.4 | Low | 60 Ų | 60 | 136.6 Ų | 136.6 | 50% | 0.496 | 69% | 0.693 | S | S | . | * | trans | -85.9 | 88.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | L314 | L314-A317 HydrophobicContact CB-CB 3.67Å; L314-A317 HydrophobicContact CD1-CB 4.05Å; L314-A317 PolarHBondContact O-N 3.48Å | ||
| 318 | E | 48.9 | Very low | 56.7 | Low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | trans | -61.8 | 143.1 | 163.5 | -64.6 | -175.6 | 131.7 | 0 | 0 | 108.4 | Y316 E320 | Y316-E318 PolarHBondContact O-N 3.17Å; E318-E320 VanDerWaalsContact C-N 3.27Å; E318-E320 PolarHBondContact O-N 2.98Å | ||
| 319 | D | 56.3 | Low | 55.4 | Low | 128 Ų | 128 | 136.4 Ų | 136.4 | 68% | 0.684 | 70% | 0.7 | S | S | * | * | trans | -69 | 73.6 | -172.5 | -80.6 | -53.5 | 0 | 0 | 0 | 112 | S321 R331 | D319-S321 PolarHBondContact O-N 2.82Å; D319-R331 IonicContact OD1-NH1 3.97Å; D319-R331 IonicContact OD2-NH1 3.44Å; D319-R331 PolarHBondContact OD2-NH1 2.88Å | ||
| 320 | E | 47.3 | Very low | 54.2 | Low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | trans | -78.3 | 37.9 | 172.2 | -155.8 | 175 | -143.1 | 0 | 0 | 111.9 | E318 V322 | E318-E320 VanDerWaalsContact C-N 3.27Å; E318-E320 PolarHBondContact O-N 2.98Å; E320-V322 HydrophobicContact CG-CG2 4.39Å; E320-V322 WeakPolarHBondContact O-CG2 3.23Å; E320-V322 PolarHBondContact O-N 2.81Å; E320-V322 VanDerWaalsContact O-N 3.14Å | ||
| 321 | S | 45.8 | Very low | 53.2 | Low | 90 Ų | 90 | 139.1 Ų | 139.1 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | trans | -80.3 | 87.1 | 167.9 | 61.2 | 0 | 0 | 0 | 0 | 108.8 | D319 D323 | D319-S321 PolarHBondContact O-N 2.82Å; S321-D323 PolarHBondContact O-N 3.46Å | ||
| 322 | V | 46.4 | Very low | 53.1 | Low | 139 Ų | 139 | 137.2 Ų | 137.2 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | trans | -70.3 | 16 | -163.8 | -134.3 | 0 | 0 | 0 | 0 | 116.6 | E320 | E320-V322 HydrophobicContact CG-CG2 4.39Å; E320-V322 WeakPolarHBondContact O-CG2 3.23Å; E320-V322 PolarHBondContact O-N 2.81Å; E320-V322 VanDerWaalsContact O-N 3.14Å | ||
| 323 | D | 45.8 | Very low | 53.4 | Low | 159 Ų | 159 | 138.8 Ų | 138.8 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | trans | -104.2 | 144.2 | -177.2 | -103.3 | -39.5 | 0 | 0 | 0 | 113.4 | S321 | S321-D323 PolarHBondContact O-N 3.46Š| ||
| 324 | D | 42.4 | Very low | 53.6 | Low | 98 Ų | 98 | 133.1 Ų | 133.1 | 52% | 0.524 | 70% | 0.698 | S | S | . | * | trans | 69.3 | 75.1 | 179.3 | -154.9 | -8.3 | 0 | 0 | 0 | 118.2 | A326 Q327 | D324-A326 PolarHBondContact O-N 3.02Å; D324-A326 WeakPolarHBondContact OD1-CA 3.42Å; D324-A326 VanDerWaalsContact OD1-CB 3.29Å; D324-A326 WeakPolarHBondContact OD1-CB 3.19Å; D324-A326 PolarHBondContact OD1-N 3.38Å; D324-Q327 PolarHBondContact OD1-N 2.92Å | ||
| 325 | L | 51.7 | Low | 53.7 | Low | 175 Ų | 175 | 130.3 Ų | 130.3 | 92% | 0.916 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -74.7 | -3 | 164.5 | -175 | 56.5 | 0 | 0 | 0 | 113.5 | ||
| 326 | A | 53.3 | Low | 53.9 | Low | 90 Ų | 90 | 133.2 Ų | 133.2 | 74% | 0.744 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -92.4 | -33.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D324 | D324-A326 PolarHBondContact O-N 3.02Å; D324-A326 WeakPolarHBondContact OD1-CA 3.42Å; D324-A326 VanDerWaalsContact OD1-CB 3.29Å; D324-A326 WeakPolarHBondContact OD1-CB 3.19Å; D324-A326 PolarHBondContact OD1-N 3.38Å |
| 327 | Q | 51.5 | Low | 54.1 | Low | 112 Ų | 112 | 128.3 Ų | 128.3 | 52% | 0.523 | 67% | 0.674 | S | S | . | * | trans | -136.1 | 90.7 | 173 | -68.9 | -167 | 1.2 | 0 | 0 | 113.2 | D324 K329 | D324-Q327 PolarHBondContact OD1-N 2.92Å; Q327-K329 PolarHBondContact O-N 3.48Å | ||
| 328 | Q | 46.1 | Very low | 54.5 | Low | 181 Ų | 181 | 128.1 Ų | 128.1 | 85% | 0.846 | 66% | 0.664 | S | S | * | * | trans | -64.9 | 85.6 | 153.1 | -74.6 | -167.2 | -7.4 | 0 | 0 | 109.4 | P330 | Q328-P330 WeakPolarHBondContact O-CD 3.35Š| ||
| 329 | K | 57.9 | Low | 55.1 | Low | 166 Ų | 166 | 123.4 Ų | 123.4 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | trans | -52.6 | 121.5 | 155.5 | -79.1 | 178.9 | 177.1 | 172.7 | 0 | 106.4 | Q327 R331 | Q327-K329 PolarHBondContact O-N 3.48Å; K329-R331 PolarHBondContact O-N 2.95Å | ||
| 330 | P | 50.7 | Low | 55.2 | Low | 125 Ų | 125 | 124.4 Ų | 124.4 | 81% | 0.812 | 64% | 0.643 | S | S | * | * | trans | -62.9 | 106.6 | 175.3 | 26 | -32.3 | 0 | 0 | 0 | 107 | Q328 S332 | Q328-P330 WeakPolarHBondContact O-CD 3.35Å; P330-S332 PolarHBondContact O-N 2.77Å | ||
| 331 | R | 55.2 | Low | 55.7 | Low | 179 Ų | 179 | 122 Ų | 122 | 68% | 0.675 | 64% | 0.635 | S | S | * | * | trans | -61.1 | 114.3 | 174.2 | -57.8 | -177.9 | 91.1 | 163.5 | 8.5 | 105.5 | D319 K329 I333 | D319-R331 IonicContact OD1-NH1 3.97Å; D319-R331 IonicContact OD2-NH1 3.44Å; D319-R331 PolarHBondContact OD2-NH1 2.88Å; K329-R331 PolarHBondContact O-N 2.95Å; R331-I333 PolarHBondContact O-N 3.48Å | ||
| 332 | S | 61.5 | Low | 56.3 | Low | 49 Ų | 49 | 125.4 Ų | 125.4 | 34% | 0.343 | 64% | 0.641 | S | S | . | * | trans | -48.4 | 132.5 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 108 | P330 L334 S335 D338 | P330-S332 PolarHBondContact O-N 2.77Å; S332-L334 PolarHBondContact O-N 2.86Å; S332-L334 PolarHBondContact OG-N 3.22Å; S332-L334 VanDerWaalsContact OG-N 3.17Å; S332-S335 WeakPolarHBondContact O-CB 3.36Å; S332-S335 PolarHBondContact O-N 2.84Å; S332-D338 VanDerWaalsContact CB-OD1 3.27Å; S332-D338 WeakPolarHBondContact CB-OD1 3.42Å; S332-D338 WeakPolarHBondContact CB-OD2 3.22Å; S332-D338 PolarHBondContact OG-OD1 3Å; S332-D338 PolarHBondContact OG-OD2 3.32Å | ||
| 333 | I | 65.6 | Low | 56.7 | Low | 178 Ų | 178 | 120.5 Ų | 120.5 | 91% | 0.913 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -18.4 | 176.9 | -62.2 | 167.4 | 0 | 0 | 0 | 110 | R331 | R331-I333 PolarHBondContact O-N 3.48Š|
| 334 | L | 64 | Low | 57.6 | Low | 87 Ų | 87 | 119.3 Ų | 119.3 | 46% | 0.455 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.6 | 29.9 | 177.3 | -128.4 | 69.2 | 0 | 0 | 0 | 113.9 | S332 K336 Y337 D338 L341 | S332-L334 PolarHBondContact O-N 2.86Å; S332-L334 PolarHBondContact OG-N 3.22Å; S332-L334 VanDerWaalsContact OG-N 3.17Å; L334-K336 PolarHBondContact O-N 3.12Å; L334-Y337 HydrophobicContact CD1-CD2 4.39Å; L334-Y337 HydrophobicContact CD2-CD2 4.34Å; L334-Y337 HydrophobicContact CD2-CG 4.25Å; L334-Y337 HydrophobicContact CG-CD2 3.75Å; L334-Y337 HydrophobicContact CG-CG 4.1Å; L334-Y337 WeakPolarHBondContact O-CA 3.46Å; L334-Y337 WeakPolarHBondContact O-CB 3.37Å; L334-Y337 PolarHBondContact O-N 3.26Å; L334-D338 PolarHBondContact O-N 3.41Å; L334-D338 VanDerWaalsContact O-N 3.16Å; L334-L341 HydrophobicContact CD2-CD1 4.1Å |
| 335 | S | 66.2 | Low | 59 | Low | 60 Ų | 60 | 121.9 Ų | 121.9 | 42% | 0.42 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.3 | 9.7 | -176.7 | 91.1 | 0 | 0 | 0 | 0 | 117.6 | S332 D338 | S332-S335 WeakPolarHBondContact O-CB 3.36Å; S332-S335 PolarHBondContact O-N 2.84Å; S335-D338 WeakPolarHBondContact CA-OD2 3.43Å |
| 336 | K | 63.7 | Low | 60.3 | Low | 142 Ų | 142 | 116 Ų | 116 | 62% | 0.617 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | -3.7 | 168.3 | -62 | 175.7 | -177.7 | 172 | 0 | 112.4 | L334 | L334-K336 PolarHBondContact O-N 3.12Š|
| 337 | Y | 60.3 | Low | 61.8 | Low | 118 Ų | 118 | 117 Ų | 117 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -136 | -11.3 | -171.6 | -62.5 | -90.5 | 0 | 0 | 0 | 112.1 | L334 E339 E340 L341 | L334-Y337 HydrophobicContact CD1-CD2 4.39Å; L334-Y337 HydrophobicContact CD2-CD2 4.34Å; L334-Y337 HydrophobicContact CD2-CG 4.25Å; L334-Y337 HydrophobicContact CG-CD2 3.75Å; L334-Y337 HydrophobicContact CG-CG 4.1Å; L334-Y337 WeakPolarHBondContact O-CA 3.46Å; L334-Y337 WeakPolarHBondContact O-CB 3.37Å; L334-Y337 PolarHBondContact O-N 3.26Å; Y337-E339 PolarHBondContact O-N 3.04Å; Y337-E340 WeakPolarHBondContact CD1-OE2 3.33Å; Y337-E340 CarbonylContact O-C 3.52Å; Y337-E340 WeakPolarHBondContact O-CA 3.48Å; Y337-E340 WeakPolarHBondContact O-CB 3.37Å; Y337-E340 PolarHBondContact O-N 3.28Å; Y337-L341 WeakPolarHBondContact O-CB 3.47Å; Y337-L341 WeakPolarHBondContact O-CG 3.49Å; Y337-L341 PolarHBondContact O-N 2.96Å |
| 338 | D | 63.2 | Low | 63.6 | Low | 55 Ų | 55 | 114.4 Ų | 114.4 | 29% | 0.294 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -51.5 | -41.7 | 167.6 | -59.3 | -11.4 | 0 | 0 | 0 | 110.3 | S332 L334 S335 E340 L341 E342 | S332-D338 VanDerWaalsContact CB-OD1 3.27Å; S332-D338 WeakPolarHBondContact CB-OD1 3.42Å; S332-D338 WeakPolarHBondContact CB-OD2 3.22Å; S332-D338 PolarHBondContact OG-OD1 3Å; S332-D338 PolarHBondContact OG-OD2 3.32Å; L334-D338 PolarHBondContact O-N 3.41Å; L334-D338 VanDerWaalsContact O-N 3.16Å; S335-D338 WeakPolarHBondContact CA-OD2 3.43Å; D338-E340 PolarHBondContact O-N 2.81Å; D338-L341 PolarHBondContact O-N 2.68Å; D338-L341 VanDerWaalsContact O-N 3.08Å; D338-E342 PolarHBondContact O-N 2.84Å |
| 339 | E | 62.6 | Low | 65.6 | Low | 83 Ų | 83 | 106.9 Ų | 106.9 | 39% | 0.388 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -23.3 | 174.2 | -61.4 | 178 | -171.5 | 0 | 0 | 113.4 | L306 K309 Y337 | L306-E339 WeakPolarHBondContact CD2-OE2 3.26Å; K309-E339 IonicContact NZ-OE1 3.25Å; K309-E339 PolarHBondContact NZ-OE1 2.94Å; K309-E339 IonicContact NZ-OE2 3.78Å; Y337-E339 PolarHBondContact O-N 3.04Å |
| 340 | E | 59.1 | Low | 67.1 | Low | 150 Ų | 150 | 104.9 Ų | 104.9 | 70% | 0.701 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -94.1 | -17 | 173.5 | -63.2 | -172.8 | 167.5 | 0 | 0 | 113.1 | Y337 D338 | Y337-E340 WeakPolarHBondContact CD1-OE2 3.33Å; Y337-E340 CarbonylContact O-C 3.52Å; Y337-E340 WeakPolarHBondContact O-CA 3.48Å; Y337-E340 WeakPolarHBondContact O-CB 3.37Å; Y337-E340 PolarHBondContact O-N 3.28Å; D338-E340 PolarHBondContact O-N 2.81Å |
| 341 | L | 57.2 | Low | 69 | Low | 127 Ų | 127 | 99.8 Ų | 99.8 | 67% | 0.665 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -100.1 | -39.8 | -172.2 | -78.4 | 167.5 | 0 | 0 | 0 | 113.8 | L334 Y337 D338 G343 | L334-L341 HydrophobicContact CD2-CD1 4.1Å; Y337-L341 WeakPolarHBondContact O-CB 3.47Å; Y337-L341 WeakPolarHBondContact O-CG 3.49Å; Y337-L341 PolarHBondContact O-N 2.96Å; D338-L341 PolarHBondContact O-N 2.68Å; D338-L341 VanDerWaalsContact O-N 3.08Å; L341-G343 VanDerWaalsContact C-N 3.35Å |
| 342 | E | 58 | Low | 70.5 | Confident | 160 Ų | 160 | 95 Ų | 95 | 75% | 0.748 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -88.5 | -9 | 171.2 | -62.6 | -167.8 | 149.7 | 0 | 0 | 112.3 | D338 Q345 | D338-E342 PolarHBondContact O-N 2.84Å; E342-Q345 PolarHBondContact O-NE2 3.08Å; E342-Q345 VanDerWaalsContact O-NE2 3.12Å |
| 343 | G | 54.1 | Low | 71.4 | Confident | 36 Ų | 36 | 100.6 Ų | 100.6 | 37% | 0.371 | 50% | 0.497 | S | S | . | . | trans | 74.1 | 157.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113 | L341 Q345 | L341-G343 VanDerWaalsContact C-N 3.35Å; G343-Q345 PolarHBondContact O-N 3.08Å | ||
| 344 | E | 64.7 | Low | 72.1 | Confident | 134 Ų | 134 | 93.2 Ų | 93.2 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | trans | -65.3 | 104.2 | 170.5 | -72.5 | -167.6 | -134.8 | 0 | 0 | 109.8 | K302 P346 | K302-E344 WeakPolarHBondContact CD-OE2 3.39Å; K302-E344 WeakPolarHBondContact CE-OE2 3.24Å; K302-E344 IonicContact NZ-OE2 2.72Å; K302-E344 PolarHBondContact NZ-OE2 2.86Å; E344-P346 VanDerWaalsContact O-CD 3.23Å; E344-P346 WeakPolarHBondContact O-CD 3.49Å | ||
| 345 | Q | 72.9 | Confident | 72.6 | Confident | 152 Ų | 152 | 90 Ų | 90 | 71% | 0.71 | 45% | 0.453 | S | S | * | . | trans | -78.2 | 109.5 | 169 | -59 | -65.8 | -43.6 | 0 | 0 | 108.4 | E342 G343 | E342-Q345 PolarHBondContact O-NE2 3.08Å; E342-Q345 VanDerWaalsContact O-NE2 3.12Å; G343-Q345 PolarHBondContact O-N 3.08Å | ||
| 346 | P | 77.7 | Confident | 73.2 | Confident | 51 Ų | 51 | 94.3 Ų | 94.3 | 33% | 0.331 | 47% | 0.468 | S | S | . | . | trans | -70.8 | 151.3 | 176 | 31.1 | -34.8 | 0 | 0 | 0 | 110.5 | E260 E344 S348 | E260-P346 HydrophobicContact CG-CG 4.39Å; E344-P346 VanDerWaalsContact O-CD 3.23Å; E344-P346 WeakPolarHBondContact O-CD 3.49Å; P346-S348 PolarHBondContact O-N 3.08Å | ||
| 347 | H | 85.1 | Confident | 73.9 | Confident | 112 Ų | 112 | 89.2 Ų | 89.2 | 52% | 0.519 | 45% | 0.452 | S | S | . | . | trans | -70.3 | 125.6 | 161.9 | -72.6 | -92.8 | 0 | 0 | 0 | 107.8 | E260 H261 A262 | E260-H347 CarbonylContact C-O 3.57Å; E260-H347 VanDerWaalsContact C-O 3.25Å; H261-H347 CarbonylContact C-O 3.59Å; H261-H347 WeakPolarHBondContact CA-O 3.45Å; H261-H347 PolarHBondContact N-O 2.79Å; H261-H347 VanDerWaalsContact N-O 3.08Å; A262-H347 HydrophobicContact CB-CB 3.83Å | ||
| 348 | S | 89.1 | Confident | 74.3 | Confident | 57 Ų | 57 | 88.1 Ų | 88.1 | 40% | 0.399 | 45% | 0.454 | S | S | . | . | trans | -151.3 | 134.7 | -177.3 | 57.4 | 0 | 0 | 0 | 0 | 112.1 | V259 P346 | V259-S348 WeakPolarHBondContact O-CA 3.18Å; V259-S348 WeakPolarHBondContact O-CB 3.44Å; P346-S348 PolarHBondContact O-N 3.08Å | ||
| 349 | F | 89.5 | Confident | 74.5 | Confident | 23 Ų | 23 | 86 Ų | 86 | 10% | 0.101 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 160.8 | 176.2 | 60.7 | -92.6 | 0 | 0 | 0 | 111.1 | T258 V259 H261 I263 F266 L351 A357 E362 | T258-F349 CarbonylContact C-O 3.54Å; T258-F349 VanDerWaalsContact CA-O 3.27Å; T258-F349 WeakPolarHBondContact CA-O 3.39Å; V259-F349 HydrophobicContact CB-CD1 4.45Å; V259-F349 HydrophobicContact CB-CD2 4.26Å; V259-F349 HydrophobicContact CB-CE1 4.03Å; V259-F349 HydrophobicContact CB-CE2 3.82Å; V259-F349 HydrophobicContact CB-CZ 3.7Å; V259-F349 HydrophobicContact CG1-CE1 4.07Å; V259-F349 HydrophobicContact CG1-CE2 4.43Å; V259-F349 HydrophobicContact CG1-CZ 3.83Å; V259-F349 HydrophobicContact CG2-CD2 4.42Å; V259-F349 HydrophobicContact CG2-CE2 3.79Å; V259-F349 HydrophobicContact CG2-CZ 4.02Å; V259-F349 PolarHBondContact N-O 3.35Å; V259-F349 PolarHBondContact O-N 3.38Å; V259-F349 VanDerWaalsContact O-N 3.11Å; H261-F349 WeakPolarHBondContact O-CD1 3.49Å; H261-F349 VanDerWaalsContact O-CE1 3.27Å; H261-F349 WeakPolarHBondContact O-CE1 3.49Å; I263-F349 HydrophobicContact CB-CD1 3.96Å; I263-F349 HydrophobicContact CB-CE1 3.98Å; I263-F349 HydrophobicContact CG1-CE1 4.32Å; F266-F349 HydrophobicContact CD2-CE1 4.21Å; F266-F349 HydrophobicContact CD2-CZ 4.18Å; F266-F349 AromaticContact CE2-CE1 3.77Å; F266-F349 HydrophobicContact CE2-CE1 3.77Å; F266-F349 AromaticContact CE2-CZ 3.79Å; F266-F349 HydrophobicContact CE2-CZ 3.79Å; F266-F349 HydrophobicContact CZ-CZ 4.45Å; F349-L351 HydrophobicContact CD2-CD2 4.44Å; F349-L351 HydrophobicContact CE2-CD2 3.94Å; F349-A357 HydrophobicContact CD2-CB 3.58Å; F349-A357 HydrophobicContact CE2-CB 3.6Å; F349-E362 WeakPolarHBondContact CB-OE2 3.35Å |
| 350 | R | 89.6 | Confident | 74.9 | Confident | 125 Ų | 125 | 87.2 Ų | 87.2 | 47% | 0.472 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.9 | 179.8 | -160.7 | 169.4 | -166.2 | 123.2 | 4.7 | 110 | G256 T258 E286 | G256-R350 PolarHBondContact O-NE 2.95Å; G256-R350 PolarHBondContact O-NH2 2.88Å; T258-R350 HydrophobicContact CG2-CB 4.06Å; T258-R350 HydrophobicContact CG2-CG 3.88Å; E286-R350 IonicContact OE1-CZ 3.83Å; E286-R350 IonicContact OE1-NH1 2.84Å; E286-R350 PolarHBondContact OE1-NH1 3.44Å; E286-R350 IonicContact OE1-NH2 2.8Å; E286-R350 PolarHBondContact OE1-NH2 2.93Å; E286-R350 IonicContact OE2-CZ 3.11Å; E286-R350 IonicContact OE2-NH1 2.81Å; E286-R350 PolarHBondContact OE2-NH1 3.43Å; E286-R350 IonicContact OE2-NH2 3.2Å; E286-R350 PolarHBondContact OE2-NH2 2.94Å |
| 351 | L | 89.7 | Confident | 75.4 | Confident | 17 Ų | 17 | 87.2 Ų | 87.2 | 9% | 0.089 | 45% | 0.448 | C | S | . | . | trans | -69.2 | 131.3 | 177.8 | -61.9 | 178.8 | 0 | 0 | 0 | 110.1 | L254 G256 L257 V259 L289 F349 A357 | L254-L351 HydrophobicContact CB-CD1 3.9Å; L254-L351 WeakPolarHBondContact O-CD1 3.46Å; G256-L351 WeakPolarHBondContact CA-O 3.37Å; G256-L351 PolarHBondContact N-O 3.37Å; L257-L351 PolarHBondContact O-N 2.8Å; V259-L351 HydrophobicContact CG2-CD1 4.3Å; V259-L351 HydrophobicContact CG2-CD2 3.95Å; V259-L351 HydrophobicContact CG2-CG 4.06Å; L289-L351 HydrophobicContact CD1-CD1 4.07Å; F349-L351 HydrophobicContact CD2-CD2 4.44Å; F349-L351 HydrophobicContact CE2-CD2 3.94Å; L351-A357 HydrophobicContact CD2-CB 4.19Å | ||
| 352 | E | 86.8 | Confident | 76.1 | Confident | 78 Ų | 78 | 83.2 Ų | 83.2 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | trans | -86.1 | -170.6 | 178.2 | -59.6 | -153.9 | 143.5 | 0 | 0 | 111.6 | G354 G355 M356 R361 | E352-G354 PolarHBondContact O-N 2.93Å; E352-G355 PolarHBondContact O-N 2.99Å; E352-M356 PolarHBondContact N-O 2.85Å; E352-R361 WeakPolarHBondContact OE1-CD 3.41Å; E352-R361 IonicContact OE1-CZ 3.59Å; E352-R361 IonicContact OE1-NE 3.77Å; E352-R361 IonicContact OE1-NH1 2.69Å; E352-R361 PolarHBondContact OE1-NH1 2.81Å | ||
| 353 | Q | 81.5 | Confident | 76.8 | Confident | 168 Ų | 168 | 81.7 Ų | 81.7 | 79% | 0.785 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 118.1 | -174 | -62.4 | 176.5 | 2.8 | 0 | 0 | 110.9 | Q255 | Q255-Q353 HydrophobicContact CG-CG 4.45Š|
| 354 | G | 79.1 | Confident | 77.9 | Confident | 23 Ų | 23 | 85.9 Ų | 85.9 | 24% | 0.237 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | 8.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A251 E352 M356 | A251-G354 CarbonylContact C-O 3.3Å; A251-G354 WeakPolarHBondContact CB-O 3.47Å; A251-G354 CarbonylContact O-C 3.52Å; A251-G354 VanDerWaalsContact O-C 3.3Å; E352-G354 PolarHBondContact O-N 2.93Å; G354-M356 VanDerWaalsContact C-N 3.28Å; G354-M356 PolarHBondContact O-N 3.25Å |
| 355 | G | 75.6 | Confident | 78.5 | Confident | 20 Ų | 20 | 84.5 Ų | 84.5 | 21% | 0.206 | 42% | 0.42 | C | S | . | . | S | Bend | trans | 78.2 | 10.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | A251 E352 | A251-G355 WeakPolarHBondContact O-CA 3.43Å; A251-G355 PolarHBondContact O-N 3.48Å; E352-G355 PolarHBondContact O-N 2.99Å |
| 356 | M | 78.9 | Confident | 78.7 | Confident | 150 Ų | 150 | 82.1 Ų | 82.1 | 74% | 0.739 | 41% | 0.409 | S | S | * | . | trans | -93.7 | 151.5 | 171.8 | -61.5 | -177.7 | -179.6 | 0 | 0 | 109.7 | E352 G354 | E352-M356 PolarHBondContact N-O 2.85Å; G354-M356 VanDerWaalsContact C-N 3.28Å; G354-M356 PolarHBondContact O-N 3.25Å | ||
| 357 | A | 76.9 | Confident | 79 | Confident | 35 Ų | 35 | 85 Ų | 85 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | trans | -122 | 113.7 | 168 | 0 | 0 | 0 | 0 | 0 | 108.5 | I263 F349 L351 G359 | I263-A357 HydrophobicContact CD1-CB 4.18Å; F349-A357 HydrophobicContact CD2-CB 3.58Å; F349-A357 HydrophobicContact CE2-CB 3.6Å; L351-A357 HydrophobicContact CD2-CB 4.19Å; A357-G359 PolarHBondContact O-N 3.32Å | ||
| 358 | D | 69.9 | Low | 78.9 | Confident | 94 Ų | 94 | 83.6 Ų | 83.6 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | trans | -84.2 | 103.4 | 172.5 | -170.9 | -11 | 0 | 0 | 0 | 109.5 | L360 R361 | D358-L360 PolarHBondContact O-N 3.41Å; D358-L360 WeakPolarHBondContact OD1-CB 3.16Å; D358-L360 WeakPolarHBondContact OD1-CG 3.3Å; D358-L360 PolarHBondContact OD1-N 3.02Å; D358-R361 PolarHBondContact O-N 3.42Å; D358-R361 VanDerWaalsContact O-N 3.12Å | ||
| 359 | G | 66.5 | Low | 78.6 | Confident | 12 Ų | 12 | 88.6 Ų | 88.6 | 12% | 0.124 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.3 | -8.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | A357 R361 R363 | A357-G359 PolarHBondContact O-N 3.32Å; G359-R361 VanDerWaalsContact C-N 3.33Å; G359-R363 WeakPolarHBondContact O-CB 3.48Å; G359-R363 WeakPolarHBondContact O-CD 3.29Å; G359-R363 VanDerWaalsContact O-CG 3.23Å; G359-R363 WeakPolarHBondContact O-CG 3.34Å; G359-R363 PolarHBondContact O-N 2.84Å; G359-R363 VanDerWaalsContact O-N 3.07Å |
| 360 | L | 71.9 | Confident | 78.3 | Confident | 108 Ų | 108 | 89.7 Ų | 89.7 | 57% | 0.565 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -57.3 | -46.2 | 168 | -66.7 | 176.2 | 0 | 0 | 0 | 111.4 | D358 R363 E364 | D358-L360 PolarHBondContact O-N 3.41Å; D358-L360 WeakPolarHBondContact OD1-CB 3.16Å; D358-L360 WeakPolarHBondContact OD1-CG 3.3Å; D358-L360 PolarHBondContact OD1-N 3.02Å; L360-R363 PolarHBondContact O-N 2.84Å; L360-E364 WeakPolarHBondContact O-CB 3.33Å; L360-E364 WeakPolarHBondContact O-CG 3.22Å; L360-E364 PolarHBondContact O-N 3.11Å |
| 361 | R | 68.8 | Low | 78.1 | Confident | 150 Ų | 150 | 89.1 Ų | 89.1 | 57% | 0.566 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.7 | -38.3 | -175.4 | -170.4 | -178.9 | -172.8 | 163.2 | 5.7 | 112.8 | E352 D358 G359 L365 | E352-R361 WeakPolarHBondContact OE1-CD 3.41Å; E352-R361 IonicContact OE1-CZ 3.59Å; E352-R361 IonicContact OE1-NE 3.77Å; E352-R361 IonicContact OE1-NH1 2.69Å; E352-R361 PolarHBondContact OE1-NH1 2.81Å; D358-R361 PolarHBondContact O-N 3.42Å; D358-R361 VanDerWaalsContact O-N 3.12Å; G359-R361 VanDerWaalsContact C-N 3.33Å; R361-L365 WeakPolarHBondContact O-CG 3.44Å; R361-L365 PolarHBondContact O-N 2.97Å; R361-L365 VanDerWaalsContact O-N 3.09Å |
| 362 | E | 71.2 | Confident | 77.8 | Confident | 43 Ų | 43 | 93.1 Ų | 93.1 | 20% | 0.201 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.7 | -45.7 | 176.2 | -173.4 | 175.4 | -157 | 0 | 0 | 111 | I263 F349 E364 L365 E366 | I263-E362 VanDerWaalsContact CG2-OE2 3.3Å; I263-E362 WeakPolarHBondContact CG2-OE2 3.37Å; F349-E362 WeakPolarHBondContact CB-OE2 3.35Å; E362-E364 VanDerWaalsContact C-N 3.32Å; E362-E364 PolarHBondContact O-N 3.21Å; E362-L365 CarbonylContact O-C 3.58Å; E362-L365 WeakPolarHBondContact O-CA 3.44Å; E362-L365 WeakPolarHBondContact O-CB 3.49Å; E362-L365 PolarHBondContact O-N 3.01Å; E362-E366 PolarHBondContact O-N 2.92Å |
| 363 | R | 73.7 | Confident | 77.4 | Confident | 127 Ų | 127 | 98.1 Ų | 98.1 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 175.8 | -71.7 | 171.3 | 177.4 | 165.6 | -0.6 | 112.3 | D264 G359 L360 E366 E367 | D264-R363 IonicContact OD1-CZ 3.56Å; D264-R363 IonicContact OD1-NE 3.63Å; D264-R363 IonicContact OD1-NH2 2.68Å; D264-R363 PolarHBondContact OD1-NH2 3.23Å; G359-R363 WeakPolarHBondContact O-CB 3.48Å; G359-R363 WeakPolarHBondContact O-CD 3.29Å; G359-R363 VanDerWaalsContact O-CG 3.23Å; G359-R363 WeakPolarHBondContact O-CG 3.34Å; G359-R363 PolarHBondContact O-N 2.84Å; G359-R363 VanDerWaalsContact O-N 3.07Å; L360-R363 PolarHBondContact O-N 2.84Å; R363-E366 PolarHBondContact O-N 3.32Å; R363-E367 WeakPolarHBondContact O-CB 3.39Å; R363-E367 PolarHBondContact O-N 3.41Å |
| 364 | E | 77.1 | Confident | 77.3 | Confident | 125 Ų | 125 | 96.2 Ų | 96.2 | 58% | 0.584 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 170.8 | -79.3 | -175.9 | 174.6 | 0 | 0 | 112.1 | L360 E362 E367 I368 | L360-E364 WeakPolarHBondContact O-CB 3.33Å; L360-E364 WeakPolarHBondContact O-CG 3.22Å; L360-E364 PolarHBondContact O-N 3.11Å; E362-E364 VanDerWaalsContact C-N 3.32Å; E362-E364 PolarHBondContact O-N 3.21Å; E364-E367 PolarHBondContact O-N 2.84Å; E364-I368 WeakPolarHBondContact O-CB 3.37Å; E364-I368 WeakPolarHBondContact O-CD1 3.49Å; E364-I368 WeakPolarHBondContact O-CG1 3.43Å; E364-I368 PolarHBondContact O-N 2.84Å |
| 365 | L | 78.1 | Confident | 77.3 | Confident | 105 Ų | 105 | 102.2 Ų | 102.2 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 176.2 | -73.9 | 169.8 | 0 | 0 | 0 | 112.5 | R361 E362 I368 R369 | R361-L365 WeakPolarHBondContact O-CG 3.44Å; R361-L365 PolarHBondContact O-N 2.97Å; R361-L365 VanDerWaalsContact O-N 3.09Å; E362-L365 CarbonylContact O-C 3.58Å; E362-L365 WeakPolarHBondContact O-CA 3.44Å; E362-L365 WeakPolarHBondContact O-CB 3.49Å; E362-L365 PolarHBondContact O-N 3.01Å; L365-I368 PolarHBondContact O-N 3.09Å; L365-R369 VanDerWaalsContact O-CB 3.29Å; L365-R369 WeakPolarHBondContact O-CB 3.39Å; L365-R369 PolarHBondContact O-N 2.9Å |
| 366 | E | 76.4 | Confident | 77.2 | Confident | 102 Ų | 102 | 104.6 Ų | 104.6 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 172.8 | -70.9 | -151.1 | 126.8 | 0 | 0 | 111.8 | E362 R363 I368 R369 A370 | E362-E366 PolarHBondContact O-N 2.92Å; R363-E366 PolarHBondContact O-N 3.32Å; E366-I368 VanDerWaalsContact C-N 3.34Å; E366-I368 PolarHBondContact O-N 3.34Å; E366-R369 CarbonylContact O-C 3.58Å; E366-R369 PolarHBondContact O-N 2.92Å; E366-A370 WeakPolarHBondContact O-CB 3.4Å; E366-A370 PolarHBondContact O-N 3.38Å |
| 367 | E | 83.1 | Confident | 76.6 | Confident | 111 Ų | 111 | 106.3 Ų | 106.3 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 172.5 | -87.9 | -160.8 | -151.3 | 0 | 0 | 111.5 | R363 E364 A370 K371 | R363-E367 WeakPolarHBondContact O-CB 3.39Å; R363-E367 PolarHBondContact O-N 3.41Å; E364-E367 PolarHBondContact O-N 2.84Å; E367-A370 PolarHBondContact O-N 2.63Å; E367-K371 WeakPolarHBondContact O-CB 3.41Å; E367-K371 VanDerWaalsContact O-CD 3.26Å; E367-K371 WeakPolarHBondContact O-CD 3.4Å; E367-K371 WeakPolarHBondContact O-CG 3.32Å; E367-K371 PolarHBondContact O-N 2.91Å; E367-K371 VanDerWaalsContact OE2-CE 3.29Å; E367-K371 WeakPolarHBondContact OE2-CE 3.3Å; E367-K371 IonicContact OE2-NZ 2.61Å; E367-K371 PolarHBondContact OE2-NZ 2.99Å |
| 368 | I | 83.6 | Confident | 75.8 | Confident | 83 Ų | 83 | 109.6 Ų | 109.6 | 43% | 0.426 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.1 | -73 | 163.2 | 0 | 0 | 0 | 110.4 | E364 L365 E366 A370 K371 L372 | E364-I368 WeakPolarHBondContact O-CB 3.37Å; E364-I368 WeakPolarHBondContact O-CD1 3.49Å; E364-I368 WeakPolarHBondContact O-CG1 3.43Å; E364-I368 PolarHBondContact O-N 2.84Å; L365-I368 PolarHBondContact O-N 3.09Å; E366-I368 VanDerWaalsContact C-N 3.34Å; E366-I368 PolarHBondContact O-N 3.34Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 2.82Å; I368-K371 PolarHBondContact O-N 3.43Å; I368-L372 HydrophobicContact CG2-CD1 3.82Å; I368-L372 HydrophobicContact CG2-CG 4.39Å; I368-L372 VanDerWaalsContact O-CB 3.28Å; I368-L372 WeakPolarHBondContact O-CB 3.34Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.44Å; I368-L372 PolarHBondContact O-N 3.13Å |
| 369 | R | 82.1 | Confident | 75 | Confident | 161 Ų | 161 | 113 Ų | 113 | 61% | 0.608 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66 | -35.2 | 177 | -158.8 | 176 | -163 | -178.8 | 6.1 | 112 | L365 E366 R373 | L365-R369 VanDerWaalsContact O-CB 3.29Å; L365-R369 WeakPolarHBondContact O-CB 3.39Å; L365-R369 PolarHBondContact O-N 2.9Å; E366-R369 CarbonylContact O-C 3.58Å; E366-R369 PolarHBondContact O-N 2.92Å; R369-R373 WeakPolarHBondContact O-CB 3.41Å; R369-R373 VanDerWaalsContact O-CG 3.27Å; R369-R373 WeakPolarHBondContact O-CG 3.44Å; R369-R373 PolarHBondContact O-N 2.84Å |
| 370 | A | 83.6 | Confident | 74.6 | Confident | 47 Ų | 47 | 116.7 Ų | 116.7 | 39% | 0.388 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.5 | -46.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E366 E367 I368 L372 R373 L374 | E366-A370 WeakPolarHBondContact O-CB 3.4Å; E366-A370 PolarHBondContact O-N 3.38Å; E367-A370 PolarHBondContact O-N 2.63Å; I368-A370 VanDerWaalsContact C-N 3.34Å; I368-A370 PolarHBondContact O-N 2.82Å; A370-L372 PolarHBondContact O-N 3.06Å; A370-R373 PolarHBondContact O-N 3.42Å; A370-L374 WeakPolarHBondContact O-CG 3.36Å; A370-L374 PolarHBondContact O-N 3.42Å |
| 371 | K | 86.8 | Confident | 74.4 | Confident | 112 Ų | 112 | 117.1 Ų | 117.1 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.6 | -44.4 | 174.7 | -69.8 | 158.8 | -165.6 | 169 | 0 | 111 | E367 I368 L374 Q375 | E367-K371 WeakPolarHBondContact O-CB 3.41Å; E367-K371 VanDerWaalsContact O-CD 3.26Å; E367-K371 WeakPolarHBondContact O-CD 3.4Å; E367-K371 WeakPolarHBondContact O-CG 3.32Å; E367-K371 PolarHBondContact O-N 2.91Å; E367-K371 VanDerWaalsContact OE2-CE 3.29Å; E367-K371 WeakPolarHBondContact OE2-CE 3.3Å; E367-K371 IonicContact OE2-NZ 2.61Å; E367-K371 PolarHBondContact OE2-NZ 2.99Å; I368-K371 PolarHBondContact O-N 3.43Å; K371-L374 PolarHBondContact O-N 3.36Å; K371-Q375 VanDerWaalsContact O-CB 3.24Å; K371-Q375 WeakPolarHBondContact O-CB 3.07Å; K371-Q375 PolarHBondContact O-N 2.88Å |
| 372 | L | 82.2 | Confident | 74.3 | Confident | 102 Ų | 102 | 115.7 Ų | 115.7 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.9 | -44 | 173.3 | -77.8 | 168 | 0 | 0 | 0 | 112.2 | I368 A370 L374 Q375 A376 | I368-L372 HydrophobicContact CG2-CD1 3.82Å; I368-L372 HydrophobicContact CG2-CG 4.39Å; I368-L372 VanDerWaalsContact O-CB 3.28Å; I368-L372 WeakPolarHBondContact O-CB 3.34Å; I368-L372 VanDerWaalsContact O-CG 3.28Å; I368-L372 WeakPolarHBondContact O-CG 3.44Å; I368-L372 PolarHBondContact O-N 3.13Å; A370-L372 PolarHBondContact O-N 3.06Å; L372-L374 VanDerWaalsContact C-N 3.31Å; L372-L374 PolarHBondContact O-N 3.11Å; L372-Q375 CarbonylContact O-C 3.58Å; L372-Q375 PolarHBondContact O-N 2.84Å; L372-A376 WeakPolarHBondContact O-CB 3.44Å; L372-A376 PolarHBondContact O-N 3.29Å |
| 373 | R | 78.9 | Confident | 74.2 | Confident | 183 Ų | 183 | 116 Ų | 116 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.4 | -34.3 | 174.8 | -80.8 | 169.6 | 167.9 | 159.8 | -6.1 | 113.1 | R369 A370 | R369-R373 WeakPolarHBondContact O-CB 3.41Å; R369-R373 VanDerWaalsContact O-CG 3.27Å; R369-R373 WeakPolarHBondContact O-CG 3.44Å; R369-R373 PolarHBondContact O-N 2.84Å; A370-R373 PolarHBondContact O-N 3.42Å |
| 374 | L | 79.9 | Confident | 74 | Confident | 128 Ų | 128 | 116.4 Ų | 116.4 | 67% | 0.67 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.7 | -29.1 | 174.3 | -68.6 | 170 | 0 | 0 | 0 | 112.9 | A370 K371 L372 | A370-L374 WeakPolarHBondContact O-CG 3.36Å; A370-L374 PolarHBondContact O-N 3.42Å; K371-L374 PolarHBondContact O-N 3.36Å; L372-L374 VanDerWaalsContact C-N 3.31Å; L372-L374 PolarHBondContact O-N 3.11Å |
| 375 | Q | 79.3 | Confident | 73.3 | Confident | 148 Ų | 148 | 121 Ų | 121 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84.7 | -19.3 | 176.9 | -173.5 | 172.7 | -11.3 | 0 | 0 | 112.9 | K371 L372 Q377 | K371-Q375 VanDerWaalsContact O-CB 3.24Å; K371-Q375 WeakPolarHBondContact O-CB 3.07Å; K371-Q375 PolarHBondContact O-N 2.88Å; L372-Q375 CarbonylContact O-C 3.58Å; L372-Q375 PolarHBondContact O-N 2.84Å; Q375-Q377 VanDerWaalsContact C-N 3.28Å; Q375-Q377 PolarHBondContact O-N 2.95Å |
| 376 | A | 73.3 | Confident | 73.1 | Confident | 71 Ų | 71 | 124.4 Ų | 124.4 | 59% | 0.587 | 66% | 0.655 | S | S | * | * | trans | -69.6 | 78.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L372 S378 | L372-A376 WeakPolarHBondContact O-CB 3.44Å; L372-A376 PolarHBondContact O-N 3.29Å; A376-S378 PolarHBondContact O-N 2.9Å | ||
| 377 | Q | 65.2 | Low | 72.3 | Confident | 186 Ų | 186 | 124 Ų | 124 | 87% | 0.869 | 67% | 0.669 | S | S | * | * | trans | -61.1 | 107.9 | 165 | -64.4 | -179.9 | 8.5 | 0 | 0 | 108.2 | Q375 L379 | Q375-Q377 VanDerWaalsContact C-N 3.28Å; Q375-Q377 PolarHBondContact O-N 2.95Å; Q377-L379 PolarHBondContact O-N 3.47Å | ||
| 378 | S | 61.3 | Low | 71.8 | Confident | 103 Ų | 103 | 122.8 Ų | 122.8 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | trans | -62.1 | 134.7 | 175.2 | 57.2 | 0 | 0 | 0 | 0 | 109.2 | A376 S380 | A376-S378 PolarHBondContact O-N 2.9Å; S378-S380 PolarHBondContact O-N 2.66Å | ||
| 379 | L | 51.7 | Low | 71.6 | Confident | 165 Ų | 165 | 127 Ų | 127 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | trans | -78.4 | 45.7 | -179.3 | -145.4 | 153.2 | 0 | 0 | 0 | 111 | Q377 T381 | Q377-L379 PolarHBondContact O-N 3.47Å; L379-T381 HydrophobicContact CD2-CG2 4.39Å; L379-T381 PolarHBondContact O-N 3.2Å; L379-T381 VanDerWaalsContact O-N 3.12Å | ||
| 380 | S | 58.8 | Low | 71.2 | Confident | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | -74.7 | 91.8 | 171.1 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | S378 V382 | S378-S380 PolarHBondContact O-N 2.66Å; S380-V382 PolarHBondContact O-N 2.6Å; S380-V382 VanDerWaalsContact O-N 3.12Å | ||
| 381 | T | 67.6 | Low | 71 | Confident | 116 Ų | 116 | 130.8 Ų | 130.8 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | trans | -59.8 | 117 | 166.9 | 51.7 | 0 | 0 | 0 | 0 | 108 | L379 G383 | L379-T381 HydrophobicContact CD2-CG2 4.39Å; L379-T381 PolarHBondContact O-N 3.2Å; L379-T381 VanDerWaalsContact O-N 3.12Å; T381-G383 PolarHBondContact O-N 2.92Å | ||
| 382 | V | 65.8 | Low | 70.7 | Confident | 120 Ų | 120 | 128 Ų | 128 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | trans | -54.4 | 110.7 | -179.1 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | S380 | S380-V382 PolarHBondContact O-N 2.6Å; S380-V382 VanDerWaalsContact O-N 3.12Å | ||
| 383 | G | 69.3 | Low | 70.2 | Confident | 49 Ų | 49 | 128.4 Ų | 128.4 | 51% | 0.505 | 70% | 0.704 | S | S | . | * | trans | -54.7 | 144.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T381 R385 | T381-G383 PolarHBondContact O-N 2.92Å; G383-R385 PolarHBondContact O-N 3.36Å | ||
| 384 | P | 69.3 | Low | 69.9 | Low | 137 Ų | 137 | 127.4 Ų | 127.4 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | trans | -59.3 | 101.7 | -167.5 | 23.1 | -34.2 | 0 | 0 | 0 | 111.3 | L386 | P384-L386 PolarHBondContact O-N 3.33Š| ||
| 385 | R | 62.2 | Low | 69.4 | Low | 221 Ų | 221 | 125.7 Ų | 125.7 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 133.2 | 171.7 | -78.2 | -176.9 | 166 | 171.6 | -4.2 | 108.5 | G383 A387 | G383-R385 PolarHBondContact O-N 3.36Å; R385-A387 PolarHBondContact O-N 2.88Å |
| 386 | L | 75 | Confident | 68.8 | Low | 177 Ų | 177 | 123.9 Ų | 123.9 | 93% | 0.927 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 123.6 | 172.4 | -171.3 | 70.1 | 0 | 0 | 0 | 108.5 | P384 S388 | P384-L386 PolarHBondContact O-N 3.33Å; L386-S388 PolarHBondContact O-N 3.27Å |
| 387 | A | 59.1 | Low | 68.4 | Low | 92 Ų | 92 | 125.3 Ų | 125.3 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 119 | -173 | 0 | 0 | 0 | 0 | 0 | 110.8 | R385 E389 | R385-A387 PolarHBondContact O-N 2.88Å; A387-E389 PolarHBondContact O-N 2.93Å |
| 388 | S | 73.2 | Confident | 68.2 | Low | 86 Ų | 86 | 120.6 Ų | 120.6 | 60% | 0.601 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 121.2 | 170.1 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | L386 Y390 | L386-S388 PolarHBondContact O-N 3.27Å; S388-Y390 PolarHBondContact O-N 2.88Å |
| 389 | E | 78.5 | Confident | 68 | Low | 173 Ų | 173 | 123.3 Ų | 123.3 | 81% | 0.808 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -63.8 | -9.2 | -179 | -60 | -176.8 | 154.7 | 0 | 0 | 113.9 | A387 | A387-E389 PolarHBondContact O-N 2.93Š|
| 390 | Y | 73.8 | Confident | 68.7 | Low | 189 Ų | 189 | 125.2 Ų | 125.2 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -120.9 | 124.9 | 179.5 | -56.2 | -86 | 0 | 0 | 0 | 109.5 | S388 | S388-Y390 PolarHBondContact O-N 2.88Š|
| 391 | L | 79.4 | Confident | 68.7 | Low | 97 Ų | 97 | 132.3 Ų | 132.3 | 51% | 0.508 | 69% | 0.691 | S | S | . | * | trans | -73.4 | 135.2 | -179.2 | -171.9 | 66.1 | 0 | 0 | 0 | 110.8 | E395 M396 | L391-E395 HydrophobicContact CD1-CB 3.69Å; L391-E395 HydrophobicContact CD1-CG 4.39Å; L391-E395 HydrophobicContact CG-CB 4.13Å; L391-M396 HydrophobicContact CD2-CG 3.78Å; L391-M396 HydrophobicContact CD2-SD 3.69Å; L391-M396 HydrophobicContact CG-CG 4.14Å | ||
| 392 | T | 80.6 | Confident | 68.1 | Low | 55 Ų | 55 | 132.8 Ų | 132.8 | 34% | 0.337 | 69% | 0.693 | S | S | . | * | trans | -72.8 | 154.7 | -177.2 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | E394 E395 M396 | T392-E394 PolarHBondContact O-N 3.12Å; T392-E395 VanDerWaalsContact CB-OE2 3.3Å; T392-E395 WeakPolarHBondContact CB-OE2 3.3Å; T392-E395 WeakPolarHBondContact CG2-OE2 3.38Å; T392-E395 PolarHBondContact N-OE2 3.03Å; T392-E395 PolarHBondContact O-N 3.09Å; T392-E395 VanDerWaalsContact OG1-CG 3.23Å; T392-E395 WeakPolarHBondContact OG1-CG 3.47Å; T392-E395 PolarHBondContact OG1-N 2.85Å; T392-E395 PolarHBondContact OG1-OE2 2.74Å; T392-M396 PolarHBondContact O-N 2.72Å; T392-M396 VanDerWaalsContact O-N 3.15Å | ||
| 393 | P | 72.1 | Confident | 67.6 | Low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -23.7 | 176.8 | 25 | -34.8 | 0 | 0 | 0 | 113.4 | ||
| 394 | E | 71.7 | Confident | 66.9 | Low | 163 Ų | 163 | 145.6 Ų | 145.6 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -44.6 | 178 | -59.9 | -173.4 | 148.8 | 0 | 0 | 111.4 | T392 M396 V397 | T392-E394 PolarHBondContact O-N 3.12Å; E394-M396 PolarHBondContact O-N 3.11Å; E394-V397 WeakPolarHBondContact O-CB 3.42Å; E394-V397 PolarHBondContact O-N 3.31Å |
| 395 | E | 71.4 | Confident | 66.1 | Low | 91 Ų | 91 | 149.1 Ų | 149.1 | 43% | 0.425 | 72% | 0.715 | S | S | . | * | H | α-helix | trans | -62.1 | -34 | 174 | -67.8 | 163.4 | 129.3 | 0 | 0 | 111.8 | L391 T392 V397 A398 F399 | L391-E395 HydrophobicContact CD1-CB 3.69Å; L391-E395 HydrophobicContact CD1-CG 4.39Å; L391-E395 HydrophobicContact CG-CB 4.13Å; T392-E395 VanDerWaalsContact CB-OE2 3.3Å; T392-E395 WeakPolarHBondContact CB-OE2 3.3Å; T392-E395 WeakPolarHBondContact CG2-OE2 3.38Å; T392-E395 PolarHBondContact N-OE2 3.03Å; T392-E395 PolarHBondContact O-N 3.09Å; T392-E395 VanDerWaalsContact OG1-CG 3.23Å; T392-E395 WeakPolarHBondContact OG1-CG 3.47Å; T392-E395 PolarHBondContact OG1-N 2.85Å; T392-E395 PolarHBondContact OG1-OE2 2.74Å; E395-V397 PolarHBondContact O-N 2.97Å; E395-A398 WeakPolarHBondContact O-CB 3.29Å; E395-A398 PolarHBondContact O-N 3.23Å; E395-A398 VanDerWaalsContact O-N 3.13Å; E395-F399 PolarHBondContact O-N 3.27Å |
| 396 | M | 65.4 | Low | 65.4 | Low | 110 Ų | 110 | 144.9 Ų | 144.9 | 54% | 0.542 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -62.1 | -21.2 | 172.1 | -80.7 | -75.4 | -79.9 | 0 | 0 | 114.2 | L391 T392 E394 | L391-M396 HydrophobicContact CD2-CG 3.78Å; L391-M396 HydrophobicContact CD2-SD 3.69Å; L391-M396 HydrophobicContact CG-CG 4.14Å; T392-M396 PolarHBondContact O-N 2.72Å; T392-M396 VanDerWaalsContact O-N 3.15Å; E394-M396 PolarHBondContact O-N 3.11Å |
| 397 | V | 64.9 | Low | 64.4 | Low | 102 Ų | 102 | 146.8 Ų | 146.8 | 62% | 0.618 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -76 | -40.9 | 172.2 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | E394 E395 F399 R400 | E394-V397 WeakPolarHBondContact O-CB 3.42Å; E394-V397 PolarHBondContact O-N 3.31Å; E395-V397 PolarHBondContact O-N 2.97Å; V397-F399 PolarHBondContact O-N 2.92Å; V397-R400 WeakPolarHBondContact O-CB 3.44Å; V397-R400 PolarHBondContact O-N 3.46Å |
| 398 | A | 60.7 | Low | 63.9 | Low | 87 Ų | 87 | 151.4 Ų | 151.4 | 72% | 0.719 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -60.6 | -32.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | E395 R400 | E395-A398 WeakPolarHBondContact O-CB 3.29Å; E395-A398 PolarHBondContact O-N 3.23Å; E395-A398 VanDerWaalsContact O-N 3.13Å; A398-R400 PolarHBondContact O-N 3.33Å |
| 399 | F | 58.4 | Low | 62.6 | Low | 160 Ų | 160 | 155.6 Ų | 155.6 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -11 | 175.6 | -86.2 | -85.6 | 0 | 0 | 0 | 114.8 | E395 V397 R401 | E395-F399 PolarHBondContact O-N 3.27Å; V397-F399 PolarHBondContact O-N 2.92Å; F399-R401 VanDerWaalsContact C-N 3.26Å; F399-R401 PolarHBondContact O-N 2.84Å |
| 400 | R | 64.8 | Low | 61 | Low | 205 Ų | 205 | 158 Ų | 158 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | trans | -78.9 | 69.1 | 178.2 | -69.3 | -169.7 | 166 | -152.2 | -3.7 | 112.7 | V397 A398 T402 | V397-R400 WeakPolarHBondContact O-CB 3.44Å; V397-R400 PolarHBondContact O-N 3.46Å; A398-R400 PolarHBondContact O-N 3.33Å; R400-T402 PolarHBondContact O-N 3.37Å | ||
| 401 | R | 59.6 | Low | 59.6 | Low | 240 Ų | 240 | 158.8 Ų | 158.8 | 91% | 0.906 | 73% | 0.733 | S | S | * | * | trans | -42.7 | 107.9 | 171.2 | -82.3 | -179.5 | 162.1 | 176.7 | -4.9 | 112.2 | F399 K403 | F399-R401 VanDerWaalsContact C-N 3.26Å; F399-R401 PolarHBondContact O-N 2.84Å; R401-K403 PolarHBondContact O-N 2.84Å | ||
| 402 | T | 54.8 | Low | 57.7 | Low | 125 Ų | 125 | 163.2 Ų | 163.2 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | trans | -71.7 | 122.2 | 175.4 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | R400 R404 | R400-T402 PolarHBondContact O-N 3.37Å; T402-R404 PolarHBondContact O-N 3.42Å | ||
| 403 | K | 55.6 | Low | 55.6 | Low | 202 Ų | 202 | 169.9 Ų | 169.9 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -72.5 | 91.6 | -179.1 | -68.7 | -176.8 | 179.4 | 178.8 | 0 | 110.4 | R401 R405 | R401-K403 PolarHBondContact O-N 2.84Å; K403-R405 PolarHBondContact O-N 3.48Å | ||
| 404 | R | 54.8 | Low | 54 | Low | 236 Ų | 236 | 173.8 Ų | 173.8 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | trans | -56.4 | 109.2 | 175.8 | -61.5 | -176.6 | 95.3 | -178.5 | 7.6 | 110 | T402 V406 | T402-R404 PolarHBondContact O-N 3.42Å; R404-V406 PolarHBondContact O-N 2.97Å | ||
| 405 | R | 51.6 | Low | 52.2 | Low | 212 Ų | 212 | 174.9 Ų | 174.9 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -72.4 | 119.4 | 176.4 | -69.5 | 175 | 69.7 | -168.4 | 6.8 | 109.6 | K403 R407 | K403-R405 PolarHBondContact O-N 3.48Å; R405-R407 PolarHBondContact O-N 3.16Å | ||
| 406 | V | 48.9 | Very low | 50.7 | Low | 132 Ų | 132 | 176.4 Ų | 176.4 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -67.4 | 121.1 | 173 | 179 | 0 | 0 | 0 | 0 | 109.8 | R404 | R404-V406 PolarHBondContact O-N 2.97Š| ||
| 407 | R | 54 | Low | 49.6 | Very low | 216 Ų | 216 | 176.9 Ų | 176.9 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | trans | -128.7 | 114.1 | 160.1 | -86.2 | -173.6 | 162.9 | -179.1 | -6.5 | 108.7 | R405 | R405-R407 PolarHBondContact O-N 3.16Š| ||
| 408 | K | 48.8 | Very low | 48.8 | Very low | 189 Ų | 189 | 177.3 Ų | 177.3 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -74.1 | 131.8 | 169.5 | -70.6 | 176.6 | 175.7 | 175.7 | 0 | 109.2 | ||||
| 409 | I | 44.5 | Very low | 48 | Very low | 174 Ų | 174 | 182.2 Ų | 182.2 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | trans | -146.4 | 153.5 | 144.9 | -96 | 141.1 | 0 | 0 | 0 | 106.2 | ||||
| 410 | R | 44.7 | Very low | 47.7 | Very low | 225 Ų | 225 | 178.8 Ų | 178.8 | 85% | 0.849 | 82% | 0.815 | S | S | * | * | trans | -119.3 | 141 | -163.1 | -55.3 | 152.3 | 89.2 | 170.5 | 6.5 | 109.8 | ||||
| 411 | K | 44.4 | Very low | 47.4 | Very low | 204 Ų | 204 | 175.2 Ų | 175.2 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | -174.4 | 152.9 | 127 | -99.1 | 156.9 | -174.2 | -175.8 | 0 | 111 | |||||
| 412 | K | 40.7 | Very low | 47.3 | Very low | 191 Ų | 191 | 170.5 Ų | 170.5 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -8.9 | 147.3 | 157.3 | -67.1 | 178.5 | 178.5 | -175.4 | 0 | 116 | ||||
| 413 | E | 36.1 | Very low | 47.2 | Very low | 194 Ų | 194 | 171.5 Ų | 171.5 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | cis | -119.6 | -174 | 47.3 | -77.1 | 175.2 | 161.8 | 0 | 0 | 117.6 | ||||
| 414 | K | 38.8 | Very low | 46.8 | Very low | 192 Ų | 192 | 169.9 Ų | 169.9 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -89.1 | 136.6 | -170.4 | -81.4 | -179.8 | 168.5 | -176 | 0 | 111 | V416 | K414-V416 PolarHBondContact O-N 2.82Š| ||
| 415 | E | 33.5 | Very low | 46.7 | Very low | 186 Ų | 186 | 164.3 Ų | 164.3 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -62.4 | 115.2 | 151.2 | -65.8 | 157.1 | 164.4 | 0 | 0 | 108.2 | ||||
| 416 | V | 40.1 | Very low | 46.3 | Very low | 122 Ų | 122 | 162.9 Ų | 162.9 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | trans | -85.9 | 112.5 | 161.2 | 175 | 0 | 0 | 0 | 0 | 106.2 | K414 V418 | K414-V416 PolarHBondContact O-N 2.82Å; V416-V418 PolarHBondContact O-N 3.05Å | ||
| 417 | V | 41.4 | Very low | 45.6 | Very low | 120 Ų | 120 | 160.1 Ų | 160.1 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -68.8 | 101.1 | 172.1 | 178 | 0 | 0 | 0 | 0 | 107.6 | R419 | V417-R419 PolarHBondContact O-N 2.73Š| ||
| 418 | V | 48 | Very low | 44.8 | Very low | 111 Ų | 111 | 157.4 Ų | 157.4 | 67% | 0.673 | 81% | 0.805 | S | S | * | * | trans | -59.3 | 125.9 | 164.3 | -178.8 | 0 | 0 | 0 | 0 | 107 | V416 D422 | V416-V418 PolarHBondContact O-N 3.05Å; V418-D422 HydrophobicContact CG1-CB 4.45Å | ||
| 419 | R | 45 | Very low | 44.1 | Very low | 191 Ų | 191 | 156.6 Ų | 156.6 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | trans | -89.4 | 165.3 | 178.4 | -73 | -172.6 | 162.8 | -136.6 | -3.6 | 110.5 | V417 D421 | V417-R419 PolarHBondContact O-N 2.73Å; R419-D421 WeakPolarHBondContact CB-OD2 3.48Å; R419-D421 PolarHBondContact O-N 3.2Å | ||
| 420 | A | 51 | Low | 43.8 | Very low | 88 Ų | 88 | 152.9 Ų | 152.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 11.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 421 | D | 59.9 | Low | 43.5 | Very low | 129 Ų | 129 | 150.5 Ų | 150.5 | 69% | 0.69 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -8.1 | -173.8 | -50.4 | -62.9 | 0 | 0 | 0 | 112.9 | R419 | R419-D421 WeakPolarHBondContact CB-OD2 3.48Å; R419-D421 PolarHBondContact O-N 3.2Å |
| 422 | D | 57.8 | Low | 43 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -98.5 | 12.8 | -179.3 | -124.6 | -1.1 | 0 | 0 | 0 | 112.9 | V418 | V418-D422 HydrophobicContact CG1-CB 4.45Š|
| 423 | L | 52.1 | Low | 43 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -101 | 72 | 179.3 | -70 | 175.6 | 0 | 0 | 0 | 111.3 | ||||
| 424 | L | 46.5 | Very low | 42.9 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -87.9 | 124.7 | 168.5 | -72.4 | 177.6 | 0 | 0 | 0 | 110.8 | ||||
| 425 | P | 51.9 | Low | 42.8 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -91.9 | 119.6 | -172.4 | 33.6 | -33.5 | 0 | 0 | 0 | 113.6 | ||||
| 426 | L | 43.3 | Very low | 43 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 95% | 0.953 | 77% | 0.772 | S | S | * | * | trans | -150.6 | 123.9 | 164.8 | -89.8 | 163.3 | 0 | 0 | 0 | 107.2 | ||||
| 427 | G | 36 | Very low | 43 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | cis | -169.2 | 132.7 | -10.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 428 | D | 36.7 | Very low | 43.1 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -86.4 | 138 | -157.4 | -166 | 16.9 | 0 | 0 | 0 | 115 | ||||
| 429 | Q | 33.8 | Very low | 42.5 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -148.5 | 127.8 | 163.2 | -72.4 | -166.3 | 54.7 | 0 | 0 | 107.3 | ||||
| 430 | T | 37.3 | Very low | 42.3 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 59% | 0.589 | 80% | 0.795 | S | S | * | * | cis | -161.2 | 156.2 | 4.5 | 9.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 431 | Q | 39.9 | Very low | 41.4 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 62.2 | 115.5 | 154 | -66.4 | 169 | 63.6 | 0 | 0 | 118.3 | ||||
| 432 | D | 33.6 | Very low | 40.3 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 94% | 0.941 | 81% | 0.809 | S | S | * | * | -158 | 154.9 | 121.3 | -108 | -24.4 | 0 | 0 | 0 | 108.4 | |||||
| 433 | G | 39.4 | Very low | 39 | Very low | 66 Ų | 66 | 146.5 Ų | 146.5 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | trans | -168.9 | 160 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 434 | D | 35.1 | Very low | 38 | Very low | 129 Ų | 129 | 150.6 Ų | 150.6 | 69% | 0.69 | 82% | 0.818 | S | S | * | * | trans | -161.3 | 162 | 158.5 | -129.6 | -28 | 0 | 0 | 0 | 118 | ||||
| 435 | F | 37.1 | Very low | 37.2 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | 39 | 82.6 | 157.6 | -57.5 | -48.5 | 0 | 0 | 0 | 120.5 | ||||
| 436 | G | 37 | Very low | 35.9 | Very low | 84 Ų | 84 | 159.1 Ų | 159.1 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -73.9 | 141.6 | 153 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 437 | S | 39.2 | Very low | 35.1 | Very low | 97 Ų | 97 | 156 Ų | 156 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | trans | -147 | 140.9 | 169.9 | 100.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 438 | R | 44.2 | Very low | 34.7 | Very low | 228 Ų | 228 | 157 Ų | 157 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 61.6 | 103.5 | 154.6 | -59.3 | 169.8 | 173.3 | 175.8 | -0.6 | 118.6 | ||||
| 439 | L | 36.1 | Very low | 34.2 | Very low | 176 Ų | 176 | 158 Ų | 158 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | -174.3 | -178 | 97.4 | -99.4 | 163.9 | 0 | 0 | 0 | 113.5 | |||||
| 440 | R | 40.3 | Very low | 34 | Very low | 239 Ų | 239 | 156 Ų | 156 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | -114.1 | 145.7 | -163.5 | -52.2 | 178.2 | -176.9 | -150 | 1.5 | 114.1 | ||||
| 441 | G | 32.7 | Very low | 33.5 | Very low | 71 Ų | 71 | 160.3 Ų | 160.3 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | 103 | 112.7 | 112.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 442 | R | 35.8 | Very low | 33.1 | Very low | 257 Ų | 257 | 160.7 Ų | 160.7 | 97% | 0.97 | 82% | 0.82 | S | S | * | * | trans | 40.1 | 125.1 | 145.6 | -55.8 | -170.9 | -175.5 | -79.7 | 5.6 | 120.4 | ||||
| 443 | G | 30.9 | Very low | 32.9 | Very low | 80 Ų | 80 | 162 Ų | 162 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -142.5 | -47 | 174.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 444 | R | 31.6 | Very low | 32.7 | Very low | 234 Ų | 234 | 168.5 Ų | 168.5 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | 43.9 | 91.1 | 169.3 | -163.5 | -162.7 | -156.5 | -83.8 | 1.9 | 120.2 | ||||
| 445 | R | 28.8 | Very low | 32.4 | Very low | 235 Ų | 235 | 171.6 Ų | 171.6 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | -175.4 | 121.9 | 143.9 | -105.4 | 160.8 | 177.7 | 156.8 | -1.5 | 107.3 | ||||
| 446 | R | 25.8 | Very low | 32.6 | Very low | 231 Ų | 231 | 168.8 Ų | 168.8 | 87% | 0.872 | 84% | 0.841 | S | S | * | * | 45.2 | 126.1 | 75.6 | -106.6 | -168.1 | -172 | -140.1 | 2.8 | 111.8 | |||||
| 447 | V | 26.4 | Very low | 32.5 | Very low | 116 Ų | 116 | 171.1 Ų | 171.1 | 70% | 0.703 | 84% | 0.838 | S | S | * | * | cis | -150.4 | 152.4 | 38.4 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 448 | S | 26.6 | Very low | 32.4 | Very low | 96 Ų | 96 | 172.2 Ų | 172.2 | 67% | 0.671 | 84% | 0.842 | S | S | * | * | trans | 51.7 | 139.9 | 157.7 | 60.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 449 | E | 27 | Very low | 32 | Very low | 177 Ų | 177 | 170.5 Ų | 170.5 | 83% | 0.827 | 84% | 0.844 | S | S | * | * | cis | -167.3 | 154.3 | -13.6 | -126 | 158.3 | -177.4 | 0 | 0 | 109.3 | ||||
| 450 | V | 28.9 | Very low | 32.1 | Very low | 131 Ų | 131 | 168 Ų | 168 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | 56.3 | 101.7 | 168.3 | -171.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 451 | E | 27.8 | Very low | 31.9 | Very low | 188 Ų | 188 | 164.4 Ų | 164.4 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | -157.7 | 177.5 | 116.4 | -115 | 169.8 | -162.5 | 0 | 0 | 110.8 | |||||
| 452 | E | 31.3 | Very low | 32.3 | Very low | 183 Ų | 183 | 167.2 Ų | 167.2 | 86% | 0.855 | 84% | 0.842 | S | S | * | * | trans | -56.1 | 151.1 | -155 | -49.6 | -175.4 | 120.5 | 0 | 0 | 119.2 | ||||
| 453 | E | 29.2 | Very low | 32.2 | Very low | 203 Ų | 203 | 159.5 Ų | 159.5 | 95% | 0.949 | 83% | 0.827 | S | S | * | * | -165 | 175.8 | 116.8 | -116.8 | 177.2 | -156.4 | 0 | 0 | 112.4 | |||||
| 454 | K | 34.9 | Very low | 32.1 | Very low | 203 Ų | 203 | 163.2 Ų | 163.2 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -149.3 | 103.8 | -155.7 | -179 | -171 | -179.6 | -175.9 | 0 | 114.1 | ||||
| 455 | E | 28.8 | Very low | 32 | Very low | 193 Ų | 193 | 158.8 Ų | 158.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | -136.3 | 152.9 | 170.3 | -76.2 | -157.5 | 141.5 | 0 | 0 | 113.5 | ||||
| 456 | P | 40.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 152.9 Ų | 152.9 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -99.1 | 122.5 | -177.5 | 36 | -31.9 | 0 | 0 | 0 | 116 | ||||
| 457 | V | 36.3 | Very low | 32.5 | Very low | 133 Ų | 133 | 151 Ų | 151 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | 14.9 | 126.3 | 146.2 | -172.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 458 | P | 36.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -91 | 169.7 | 168.7 | 38.4 | -36 | 0 | 0 | 0 | 114 | ||||
| 459 | Q | 35.1 | Very low | 33.3 | Very low | 192 Ų | 192 | 152 Ų | 152 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -125 | 136.6 | 171.8 | -70.7 | -171.8 | -9 | 0 | 0 | 113 | ||||
| 460 | P | 38.9 | Very low | 33.7 | Very low | 124 Ų | 124 | 150.6 Ų | 150.6 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -108.4 | -178.2 | 172.3 | 40.6 | -33.6 | 0 | 0 | 0 | 114 | ||||
| 461 | L | 35.2 | Very low | 33.8 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -50 | 159.4 | 178.4 | -56.4 | 166.9 | 0 | 0 | 0 | 115.7 | ||||
| 462 | P | 42.2 | Very low | 34 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | -130.1 | 172 | 118.9 | 38.9 | -32.5 | 0 | 0 | 0 | 114 | |||||
| 463 | S | 32.3 | Very low | 33.8 | Very low | 94 Ų | 94 | 149 Ų | 149 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -143.8 | 136.5 | 177 | 55 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 464 | D | 29.6 | Very low | 34 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 59 | 149.6 | 165.1 | -41.2 | -32.1 | 0 | 0 | 0 | 115.9 | ||||
| 465 | D | 30.5 | Very low | 33.9 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | cis | -159.2 | 173.8 | 13.3 | -161.5 | -6 | 0 | 0 | 0 | 110.4 | ||||
| 466 | T | 31.6 | Very low | 34.2 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 72.7 | 124.3 | 166.4 | 63.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 467 | R | 32.5 | Very low | 33.9 | Very low | 192 Ų | 192 | 143.1 Ų | 143.1 | 73% | 0.725 | 77% | 0.771 | S | S | * | * | 77.9 | 119.4 | 66 | -143.9 | -176.7 | 82.5 | 83.4 | -1.8 | 110.8 | |||||
| 468 | V | 34.7 | Very low | 33.7 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 52% | 0.521 | 77% | 0.772 | S | S | . | * | cis | -156.3 | 168.2 | 12.9 | -118.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 469 | E | 34.3 | Very low | 33.4 | Very low | 147 Ų | 147 | 143 Ų | 143 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | 30.8 | 118.5 | 143 | -61.6 | 142.2 | 179.8 | 0 | 0 | 119.5 | ||||
| 470 | N | 35.3 | Very low | 33.1 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | 177.6 | 115.8 | 91.7 | -89 | -68.3 | 0 | 0 | 0 | 109.5 | |||||
| 471 | M | 31.5 | Very low | 32.8 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | trans | -112.9 | 112.3 | 164 | -102.4 | -165.2 | 73.2 | 0 | 0 | 107.8 | ||||
| 472 | D | 31.8 | Very low | 33.3 | Very low | 135 Ų | 135 | 134 Ų | 134 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -116.4 | 134.7 | 167.1 | -112.6 | -38.8 | 0 | 0 | 0 | 108.9 | ||||
| 473 | I | 28.6 | Very low | 32.8 | Very low | 149 Ų | 149 | 136 Ų | 136 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | 57.2 | 104.8 | 156.7 | -55.9 | 174.1 | 0 | 0 | 0 | 116.7 | ||||
| 474 | S | 32.9 | Very low | 33.4 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -66.2 | 141.7 | 150.8 | -47 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 475 | D | 32.1 | Very low | 33.5 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -151.6 | 145.7 | 134 | -138.9 | -1.4 | 0 | 0 | 0 | 111.1 | ||||
| 476 | E | 34.6 | Very low | 33.8 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | trans | -89.5 | 173.5 | 159.8 | -59 | 177.9 | 125.3 | 0 | 0 | 105.6 | ||||
| 477 | E | 35.5 | Very low | 34.4 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | cis | -164.2 | 176.5 | 21.1 | -158.2 | -176 | 122.5 | 0 | 0 | 107.1 | ||||
| 478 | E | 32.7 | Very low | 34.5 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 52.7 | 121.5 | 149.2 | -153.3 | 71.7 | 157.6 | 0 | 0 | 122.9 | ||||
| 479 | G | 30.4 | Very low | 35 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 130.7 | 95.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 480 | G | 28.5 | Very low | 35.3 | Very low | 84 Ų | 84 | 133.6 Ų | 133.6 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 92.6 | 111.5 | 137.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 481 | A | 31.7 | Very low | 36 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -87.9 | 177.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 482 | P | 45.5 | Very low | 36.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -145.8 | 174.2 | 13 | 45.1 | -25.6 | 0 | 0 | 0 | 118.8 | ||||
| 483 | Q | 31.5 | Very low | 38.2 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | 19 | 164.1 | 133.3 | -54.9 | -69.7 | -16.8 | 0 | 0 | 121.8 | ||||
| 484 | P | 45.8 | Very low | 39.9 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -137.4 | -178.1 | -34.9 | 38.9 | -22 | 0 | 0 | 0 | 113.6 | ||||
| 485 | G | 30.8 | Very low | 41.1 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | 165.9 | 112.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 486 | S | 37.3 | Very low | 42.8 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -99 | 163 | 171.4 | 65.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 487 | P | 43.8 | Very low | 44.6 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | cis | -149.9 | 152.9 | 48.8 | 41 | -19.6 | 0 | 0 | 0 | 120.7 | ||||
| 488 | Q | 35.7 | Very low | 46.4 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | 26.6 | 121.3 | 142.6 | -65 | 178.6 | -86.4 | 0 | 0 | 124.1 | ||||
| 489 | V | 44.1 | Very low | 48.5 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | 68.3 | 114.9 | 125.6 | -177 | 0 | 0 | 0 | 0 | 120.5 | E491 | V489-E491 HydrophobicContact CG1-CG 4.31Š| |||
| 490 | L | 40.6 | Very low | 50.6 | Low | 161 Ų | 161 | 124.4 Ų | 124.4 | 84% | 0.843 | 72% | 0.719 | S | S | * | * | -133.8 | 157.5 | 122.8 | -79.7 | -177.2 | 0 | 0 | 0 | 109.1 | |||||
| 491 | E | 51.1 | Low | 53.2 | Low | 186 Ų | 186 | 126.1 Ų | 126.1 | 87% | 0.869 | 70% | 0.702 | S | S | * | * | trans | -104.7 | 102.1 | -170.5 | -62.4 | 165.3 | 134 | 0 | 0 | 111 | V489 | V489-E491 HydrophobicContact CG1-CG 4.31Š| ||
| 492 | E | 48.6 | Very low | 55.5 | Low | 161 Ų | 161 | 126.5 Ų | 126.5 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | trans | -125.3 | -22.4 | 178.3 | -62 | -169.5 | 143.4 | 0 | 0 | 114 | E494 | E492-E494 PolarHBondContact O-N 2.72Š| ||
| 493 | D | 59.8 | Low | 57 | Low | 129 Ų | 129 | 126 Ų | 126 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -64.7 | -36.5 | -169.7 | -63 | -41.6 | 0 | 0 | 0 | 115.7 | A495 L497 | D493-A495 VanDerWaalsContact C-N 3.33Å; D493-A495 PolarHBondContact O-N 3.44Å; D493-L497 WeakPolarHBondContact O-CB 3.4Å; D493-L497 WeakPolarHBondContact O-CG 3.46Å; D493-L497 PolarHBondContact O-N 2.76Å; D493-L497 VanDerWaalsContact O-N 3.16Å |
| 494 | E | 65.6 | Low | 59.3 | Low | 174 Ų | 174 | 122.7 Ų | 122.7 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -66.3 | -33.8 | -172.7 | -69 | -155.5 | 135.1 | 0 | 0 | 113 | E492 E498 | E492-E494 PolarHBondContact O-N 2.72Å; E494-E498 PolarHBondContact O-N 3.04Å; E494-E498 VanDerWaalsContact O-N 3.08Å |
| 495 | A | 57.2 | Low | 61.1 | Low | 76 Ų | 76 | 123.6 Ų | 123.6 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71.7 | -40.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D493 E498 L499 | D493-A495 VanDerWaalsContact C-N 3.33Å; D493-A495 PolarHBondContact O-N 3.44Å; A495-E498 PolarHBondContact O-N 3.36Å; A495-L499 PolarHBondContact O-N 3.41Å; A495-L499 VanDerWaalsContact O-N 3.16Å |
| 496 | E | 68.6 | Low | 63.5 | Low | 142 Ų | 142 | 121.7 Ų | 121.7 | 66% | 0.664 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.8 | -37.8 | 177.2 | -169.8 | 160.7 | -138.9 | 0 | 0 | 111.1 | E498 L499 Q500 | E496-E498 VanDerWaalsContact C-N 3.35Å; E496-E498 PolarHBondContact O-N 2.93Å; E496-L499 PolarHBondContact O-N 3.43Å; E496-Q500 WeakPolarHBondContact O-CB 3.36Å; E496-Q500 PolarHBondContact O-N 3.04Å |
| 497 | L | 71.6 | Confident | 65.6 | Low | 90 Ų | 90 | 124.5 Ų | 124.5 | 47% | 0.471 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.9 | -33.6 | 174 | -73.1 | 172.4 | 0 | 0 | 0 | 113.5 | D493 K501 | D493-L497 WeakPolarHBondContact O-CB 3.4Å; D493-L497 WeakPolarHBondContact O-CG 3.46Å; D493-L497 PolarHBondContact O-N 2.76Å; D493-L497 VanDerWaalsContact O-N 3.16Å; L497-K501 WeakPolarHBondContact O-CB 3.2Å; L497-K501 WeakPolarHBondContact O-CD 3.18Å; L497-K501 WeakPolarHBondContact O-CG 3.27Å; L497-K501 PolarHBondContact O-N 3.21Å; L497-K501 VanDerWaalsContact O-N 3.14Å |
| 498 | E | 74.6 | Confident | 67.3 | Low | 116 Ų | 116 | 128.1 Ų | 128.1 | 54% | 0.542 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.8 | -45.3 | 172.6 | -157.4 | -167.5 | 160.7 | 0 | 0 | 111.5 | E494 A495 E496 Q500 K501 Q502 | E494-E498 PolarHBondContact O-N 3.04Å; E494-E498 VanDerWaalsContact O-N 3.08Å; A495-E498 PolarHBondContact O-N 3.36Å; E496-E498 VanDerWaalsContact C-N 3.35Å; E496-E498 PolarHBondContact O-N 2.93Å; E498-Q500 VanDerWaalsContact C-N 3.29Å; E498-Q500 PolarHBondContact O-N 2.85Å; E498-K501 PolarHBondContact O-N 3.12Å; E498-K501 VanDerWaalsContact O-N 3.17Å; E498-Q502 WeakPolarHBondContact O-CG 3.48Å; E498-Q502 PolarHBondContact O-N 3.43Å; E498-Q502 PolarHBondContact OE1-NE2 3.46Å |
| 499 | L | 75.5 | Confident | 69.2 | Low | 97 Ų | 97 | 125.4 Ų | 125.4 | 51% | 0.508 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -57.2 | -43.6 | 176.4 | -179.8 | 61.7 | 0 | 0 | 0 | 111.5 | A495 E496 Q502 L503 | A495-L499 PolarHBondContact O-N 3.41Å; A495-L499 VanDerWaalsContact O-N 3.16Å; E496-L499 PolarHBondContact O-N 3.43Å; L499-Q502 PolarHBondContact O-N 3.26Å; L499-L503 HydrophobicContact CG-CD1 4.41Å; L499-L503 WeakPolarHBondContact O-CG 3.49Å; L499-L503 PolarHBondContact O-N 3.31Å |
| 500 | Q | 75.4 | Confident | 70.9 | Confident | 100 Ų | 100 | 129 Ų | 129 | 47% | 0.467 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.1 | -45.8 | 176.3 | -170.6 | 170.4 | -3.3 | 0 | 0 | 111.6 | E496 E498 Q502 L503 E504 | E496-Q500 WeakPolarHBondContact O-CB 3.36Å; E496-Q500 PolarHBondContact O-N 3.04Å; E498-Q500 VanDerWaalsContact C-N 3.29Å; E498-Q500 PolarHBondContact O-N 2.85Å; Q500-Q502 VanDerWaalsContact C-N 3.3Å; Q500-Q502 PolarHBondContact O-N 2.86Å; Q500-L503 PolarHBondContact O-N 2.8Å; Q500-E504 WeakPolarHBondContact O-CG 3.3Å; Q500-E504 PolarHBondContact O-N 2.94Å |
| 501 | K | 82.2 | Confident | 72.5 | Confident | 119 Ų | 119 | 127.1 Ų | 127.1 | 52% | 0.517 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.6 | -34.1 | 173.9 | -77.1 | 167.2 | -177.3 | 160.1 | 0 | 113 | L497 E498 K505 | L497-K501 WeakPolarHBondContact O-CB 3.2Å; L497-K501 WeakPolarHBondContact O-CD 3.18Å; L497-K501 WeakPolarHBondContact O-CG 3.27Å; L497-K501 PolarHBondContact O-N 3.21Å; L497-K501 VanDerWaalsContact O-N 3.14Å; E498-K501 PolarHBondContact O-N 3.12Å; E498-K501 VanDerWaalsContact O-N 3.17Å; K501-K505 WeakPolarHBondContact O-CD 3.23Å; K501-K505 VanDerWaalsContact O-CG 3.25Å; K501-K505 WeakPolarHBondContact O-CG 3.38Å; K501-K505 PolarHBondContact O-N 3.26Å; K501-K505 VanDerWaalsContact O-N 3.08Å |
| 502 | Q | 80.2 | Confident | 73.8 | Confident | 105 Ų | 105 | 123.4 Ų | 123.4 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.6 | -42 | 175.3 | -68.9 | -176 | 20.9 | 0 | 0 | 111.5 | E498 L499 Q500 K505 G506 | E498-Q502 WeakPolarHBondContact O-CG 3.48Å; E498-Q502 PolarHBondContact O-N 3.43Å; E498-Q502 PolarHBondContact OE1-NE2 3.46Å; L499-Q502 PolarHBondContact O-N 3.26Å; Q500-Q502 VanDerWaalsContact C-N 3.3Å; Q500-Q502 PolarHBondContact O-N 2.86Å; Q502-K505 PolarHBondContact O-N 3.2Å; Q502-G506 PolarHBondContact O-N 2.84Å |
| 503 | L | 77.4 | Confident | 75.1 | Confident | 98 Ų | 98 | 121.3 Ų | 121.3 | 51% | 0.513 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.3 | -39.1 | 174.2 | -70.6 | 173.6 | 0 | 0 | 0 | 112.5 | L499 Q500 G506 R507 | L499-L503 HydrophobicContact CG-CD1 4.41Å; L499-L503 WeakPolarHBondContact O-CG 3.49Å; L499-L503 PolarHBondContact O-N 3.31Å; Q500-L503 PolarHBondContact O-N 2.8Å; L503-G506 PolarHBondContact O-N 2.82Å; L503-R507 WeakPolarHBondContact O-CG 3.21Å; L503-R507 PolarHBondContact O-N 3.47Å |
| 504 | E | 78.8 | Confident | 75.9 | Confident | 104 Ų | 104 | 120.6 Ų | 120.6 | 49% | 0.486 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64 | -44.5 | 173.9 | -76.3 | 179 | -178.4 | 0 | 0 | 112.4 | Q500 G506 R507 R508 | Q500-E504 WeakPolarHBondContact O-CG 3.3Å; Q500-E504 PolarHBondContact O-N 2.94Å; E504-G506 VanDerWaalsContact C-N 3.29Å; E504-G506 PolarHBondContact O-N 3.48Å; E504-R507 PolarHBondContact O-N 3.16Å; E504-R508 WeakPolarHBondContact O-CB 3.38Å; E504-R508 PolarHBondContact O-N 3.21Å |
| 505 | K | 84.1 | Confident | 76.3 | Confident | 141 Ų | 141 | 117.7 Ų | 117.7 | 61% | 0.613 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.6 | -42.6 | 172.8 | -74.3 | 166.5 | -176.5 | 173.5 | 0 | 111.3 | K501 Q502 R508 L509 | K501-K505 WeakPolarHBondContact O-CD 3.23Å; K501-K505 VanDerWaalsContact O-CG 3.25Å; K501-K505 WeakPolarHBondContact O-CG 3.38Å; K501-K505 PolarHBondContact O-N 3.26Å; K501-K505 VanDerWaalsContact O-N 3.08Å; Q502-K505 PolarHBondContact O-N 3.2Å; K505-R508 PolarHBondContact O-N 3.27Å; K505-L509 WeakPolarHBondContact O-CB 3.29Å; K505-L509 PolarHBondContact O-N 2.78Å |
| 506 | G | 82 | Confident | 77 | Confident | 41 Ų | 41 | 119.8 Ų | 119.8 | 42% | 0.423 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.3 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q502 L503 E504 R510 | Q502-G506 PolarHBondContact O-N 2.84Å; L503-G506 PolarHBondContact O-N 2.82Å; E504-G506 VanDerWaalsContact C-N 3.29Å; E504-G506 PolarHBondContact O-N 3.48Å; G506-R510 PolarHBondContact O-N 3.18Å |
| 507 | R | 81.5 | Confident | 77 | Confident | 175 Ų | 175 | 118.8 Ų | 118.8 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.7 | -43.6 | 175.2 | -71.9 | 172.2 | -177.3 | -171.5 | 2.3 | 111.7 | L503 E504 R510 Q511 | L503-R507 WeakPolarHBondContact O-CG 3.21Å; L503-R507 PolarHBondContact O-N 3.47Å; E504-R507 PolarHBondContact O-N 3.16Å; R507-R510 PolarHBondContact O-N 2.81Å; R507-Q511 PolarHBondContact O-N 3.19Å |
| 508 | R | 78.4 | Confident | 76.9 | Confident | 186 Ų | 186 | 119.3 Ų | 119.3 | 70% | 0.702 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.7 | -37.3 | -178.5 | -158.1 | 169.7 | -170.3 | 155.8 | 1.5 | 112.5 | E504 K505 Q511 L512 | E504-R508 WeakPolarHBondContact O-CB 3.38Å; E504-R508 PolarHBondContact O-N 3.21Å; K505-R508 PolarHBondContact O-N 3.27Å; R508-Q511 PolarHBondContact O-N 2.94Å; R508-L512 WeakPolarHBondContact O-CG 3.14Å; R508-L512 PolarHBondContact O-N 2.8Å |
| 509 | L | 76.1 | Confident | 76.7 | Confident | 124 Ų | 124 | 121.8 Ų | 121.8 | 65% | 0.649 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.9 | -43.2 | 169.1 | -96.5 | 165.6 | 0 | 0 | 0 | 112 | K505 L512 Q513 | K505-L509 WeakPolarHBondContact O-CB 3.29Å; K505-L509 PolarHBondContact O-N 2.78Å; L509-L512 PolarHBondContact O-N 3.15Å; L509-Q513 WeakPolarHBondContact O-CB 3.45Å; L509-Q513 PolarHBondContact O-N 2.88Å |
| 510 | R | 79.6 | Confident | 76.3 | Confident | 185 Ų | 185 | 120.7 Ų | 120.7 | 70% | 0.698 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.6 | -39.6 | 177 | -167.2 | 179.6 | -177.9 | -151.7 | -0.4 | 112.3 | G506 R507 Q513 Q514 | G506-R510 PolarHBondContact O-N 3.18Å; R507-R510 PolarHBondContact O-N 2.81Å; R510-Q513 PolarHBondContact O-N 3.4Å; R510-Q514 WeakPolarHBondContact O-CB 3.49Å; R510-Q514 PolarHBondContact O-N 3.5Å |
| 511 | Q | 74.2 | Confident | 76 | Confident | 121 Ų | 121 | 118.6 Ų | 118.6 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.6 | -44.3 | 173 | -76.3 | 175.7 | -33.5 | 0 | 0 | 112.1 | R507 R508 Q513 Q514 L515 | R507-Q511 PolarHBondContact O-N 3.19Å; R508-Q511 PolarHBondContact O-N 2.94Å; Q511-Q513 PolarHBondContact O-N 3.44Å; Q511-Q514 PolarHBondContact O-N 3.31Å; Q511-L515 WeakPolarHBondContact O-CB 3.47Å; Q511-L515 WeakPolarHBondContact O-CG 3.47Å; Q511-L515 PolarHBondContact O-N 2.88Å |
| 512 | L | 78.7 | Confident | 75.5 | Confident | 107 Ų | 107 | 114.4 Ų | 114.4 | 56% | 0.56 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | 175.5 | -76.6 | 167.3 | 0 | 0 | 0 | 112 | R508 L509 Q514 L515 Q516 | R508-L512 WeakPolarHBondContact O-CG 3.14Å; R508-L512 PolarHBondContact O-N 2.8Å; L509-L512 PolarHBondContact O-N 3.15Å; L512-Q514 VanDerWaalsContact C-N 3.34Å; L512-Q514 PolarHBondContact O-N 3.38Å; L512-L515 PolarHBondContact O-N 3.21Å; L512-Q516 WeakPolarHBondContact O-CB 3.42Å; L512-Q516 PolarHBondContact O-N 2.74Å |
| 513 | Q | 76 | Confident | 75 | Confident | 118 Ų | 118 | 114.6 Ų | 114.6 | 55% | 0.551 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.8 | -38.6 | 175 | -170.8 | 176.3 | 38.2 | 0 | 0 | 112.1 | L509 R510 Q511 Q516 Q517 | L509-Q513 WeakPolarHBondContact O-CB 3.45Å; L509-Q513 PolarHBondContact O-N 2.88Å; R510-Q513 PolarHBondContact O-N 3.4Å; Q511-Q513 PolarHBondContact O-N 3.44Å; Q513-Q516 PolarHBondContact O-N 3.45Å; Q513-Q517 WeakPolarHBondContact O-CG 3.44Å; Q513-Q517 PolarHBondContact O-N 3.27Å |
| 514 | Q | 76.1 | Confident | 74.5 | Confident | 114 Ų | 114 | 116.6 Ų | 116.6 | 53% | 0.533 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 176.1 | -172.6 | 171.7 | -1.1 | 0 | 0 | 112 | R510 Q511 L512 Q516 Q517 L518 | R510-Q514 WeakPolarHBondContact O-CB 3.49Å; R510-Q514 PolarHBondContact O-N 3.5Å; Q511-Q514 PolarHBondContact O-N 3.31Å; L512-Q514 VanDerWaalsContact C-N 3.34Å; L512-Q514 PolarHBondContact O-N 3.38Å; Q514-Q516 VanDerWaalsContact C-N 3.33Å; Q514-Q517 PolarHBondContact O-N 2.75Å; Q514-L518 HydrophobicContact CG-CD1 4.43Å; Q514-L518 WeakPolarHBondContact O-CB 3.02Å; Q514-L518 VanDerWaalsContact O-CG 3.29Å; Q514-L518 WeakPolarHBondContact O-CG 3.23Å; Q514-L518 PolarHBondContact O-N 3.27Å |
| 515 | L | 74.3 | Confident | 74 | Confident | 112 Ų | 112 | 115.8 Ų | 115.8 | 59% | 0.586 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.8 | -37.9 | 173.3 | -74.1 | 168.4 | 0 | 0 | 0 | 111.9 | Q511 L512 L518 R519 | Q511-L515 WeakPolarHBondContact O-CB 3.47Å; Q511-L515 WeakPolarHBondContact O-CG 3.47Å; Q511-L515 PolarHBondContact O-N 2.88Å; L512-L515 PolarHBondContact O-N 3.21Å; L515-L518 PolarHBondContact O-N 3.07Å; L515-R519 WeakPolarHBondContact O-CB 3.12Å; L515-R519 PolarHBondContact O-N 3.37Å |
| 516 | Q | 71.1 | Confident | 73.3 | Confident | 121 Ų | 121 | 113.6 Ų | 113.6 | 57% | 0.565 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.8 | -44.9 | 174.4 | -171.4 | 168.3 | 7 | 0 | 0 | 111.5 | L512 Q513 Q514 L518 R519 D520 | L512-Q516 WeakPolarHBondContact O-CB 3.42Å; L512-Q516 PolarHBondContact O-N 2.74Å; Q513-Q516 PolarHBondContact O-N 3.45Å; Q514-Q516 VanDerWaalsContact C-N 3.33Å; Q516-L518 VanDerWaalsContact C-N 3.28Å; Q516-L518 PolarHBondContact O-N 3.13Å; Q516-R519 WeakPolarHBondContact O-CB 3.28Å; Q516-R519 PolarHBondContact O-N 2.95Å; Q516-R519 VanDerWaalsContact O-N 3.09Å; Q516-D520 WeakPolarHBondContact O-CB 3.36Å; Q516-D520 PolarHBondContact O-N 3.3Å |
| 517 | Q | 69.8 | Low | 72.7 | Confident | 121 Ų | 121 | 116.9 Ų | 116.9 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.6 | -36 | 173.6 | -74.2 | 174.8 | -1.2 | 0 | 0 | 112.7 | Q513 Q514 S521 | Q513-Q517 WeakPolarHBondContact O-CG 3.44Å; Q513-Q517 PolarHBondContact O-N 3.27Å; Q514-Q517 PolarHBondContact O-N 2.75Å; Q517-S521 WeakPolarHBondContact O-CB 3.32Å; Q517-S521 PolarHBondContact O-N 3.33Å; Q517-S521 PolarHBondContact O-OG 3.4Å |
| 518 | L | 69.1 | Low | 72.1 | Confident | 101 Ų | 101 | 113.6 Ų | 113.6 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 172.7 | -73.5 | 167.4 | 0 | 0 | 0 | 111.4 | Q514 L515 Q516 S521 G522 | Q514-L518 HydrophobicContact CG-CD1 4.43Å; Q514-L518 WeakPolarHBondContact O-CB 3.02Å; Q514-L518 VanDerWaalsContact O-CG 3.29Å; Q514-L518 WeakPolarHBondContact O-CG 3.23Å; Q514-L518 PolarHBondContact O-N 3.27Å; L515-L518 PolarHBondContact O-N 3.07Å; Q516-L518 VanDerWaalsContact C-N 3.28Å; Q516-L518 PolarHBondContact O-N 3.13Å; L518-S521 PolarHBondContact O-N 2.86Å; L518-S521 PolarHBondContact O-OG 3.05Å; L518-G522 PolarHBondContact O-N 3.45Å |
| 519 | R | 70.1 | Confident | 71.9 | Confident | 168 Ų | 168 | 108.4 Ų | 108.4 | 63% | 0.634 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.8 | -49.9 | 175.2 | -154 | -179.1 | -153.2 | -87.3 | 8.3 | 112 | L515 Q516 S521 G522 E523 | L515-R519 WeakPolarHBondContact O-CB 3.12Å; L515-R519 PolarHBondContact O-N 3.37Å; Q516-R519 WeakPolarHBondContact O-CB 3.28Å; Q516-R519 PolarHBondContact O-N 2.95Å; Q516-R519 VanDerWaalsContact O-N 3.09Å; R519-S521 PolarHBondContact O-N 3.15Å; R519-G522 PolarHBondContact O-N 3.49Å; R519-G522 VanDerWaalsContact O-N 3.09Å; R519-E523 IonicContact NH1-OE1 3.82Å; R519-E523 PolarHBondContact NH1-OE1 3.28Å; R519-E523 PolarHBondContact O-N 3.36Å |
| 520 | D | 68.3 | Low | 71.7 | Confident | 73 Ų | 73 | 109 Ų | 109 | 39% | 0.39 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -24.5 | 177.3 | -61.5 | -9.5 | 0 | 0 | 0 | 112.6 | Q516 K524 | Q516-D520 WeakPolarHBondContact O-CB 3.36Å; Q516-D520 PolarHBondContact O-N 3.3Å; D520-K524 WeakPolarHBondContact O-CD 3.43Å; D520-K524 WeakPolarHBondContact O-CG 3.13Å |
| 521 | S | 68.7 | Low | 71.3 | Confident | 57 Ų | 57 | 106.4 Ų | 106.4 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -82.9 | -38.8 | 172.2 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | Q517 L518 R519 K524 V525 | Q517-S521 WeakPolarHBondContact O-CB 3.32Å; Q517-S521 PolarHBondContact O-N 3.33Å; Q517-S521 PolarHBondContact O-OG 3.4Å; L518-S521 PolarHBondContact O-N 2.86Å; L518-S521 PolarHBondContact O-OG 3.05Å; R519-S521 PolarHBondContact O-N 3.15Å; S521-K524 PolarHBondContact O-N 3.07Å; S521-V525 WeakPolarHBondContact O-CG2 3.33Å; S521-V525 PolarHBondContact O-N 2.75Å |
| 522 | G | 70.6 | Confident | 70.7 | Confident | 31 Ų | 31 | 105.4 Ų | 105.4 | 32% | 0.32 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | L518 R519 K524 V525 V526 | L518-G522 PolarHBondContact O-N 3.45Å; R519-G522 PolarHBondContact O-N 3.49Å; R519-G522 VanDerWaalsContact O-N 3.09Å; G522-K524 VanDerWaalsContact C-N 3.27Å; G522-K524 PolarHBondContact O-N 3.25Å; G522-V525 PolarHBondContact O-N 3.24Å; G522-V525 VanDerWaalsContact O-N 3.12Å; G522-V526 WeakPolarHBondContact O-CG2 3.4Å; G522-V526 PolarHBondContact O-N 2.83Å |
| 523 | E | 71.1 | Confident | 69.7 | Low | 109 Ų | 109 | 106 Ų | 106 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.4 | -35.7 | 176.9 | -69.8 | 176.6 | -161.7 | 0 | 0 | 111.7 | R519 E527 | R519-E523 IonicContact NH1-OE1 3.82Å; R519-E523 PolarHBondContact NH1-OE1 3.28Å; R519-E523 PolarHBondContact O-N 3.36Å; E523-E527 PolarHBondContact O-N 3.08Å |
| 524 | K | 66.9 | Low | 68.8 | Low | 139 Ų | 139 | 104.9 Ų | 104.9 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.7 | -38.2 | 172.4 | -73.6 | 169.6 | -175.6 | 157.5 | 0 | 113.4 | D520 S521 G522 E527 I528 | D520-K524 WeakPolarHBondContact O-CD 3.43Å; D520-K524 WeakPolarHBondContact O-CG 3.13Å; S521-K524 PolarHBondContact O-N 3.07Å; G522-K524 VanDerWaalsContact C-N 3.27Å; G522-K524 PolarHBondContact O-N 3.25Å; K524-E527 PolarHBondContact O-N 3.47Å; K524-I528 VanDerWaalsContact O-CG1 3.3Å; K524-I528 WeakPolarHBondContact O-CG1 3.11Å; K524-I528 PolarHBondContact O-N 3.37Å |
| 525 | V | 67.8 | Low | 67.6 | Low | 88 Ų | 88 | 109.9 Ų | 109.9 | 53% | 0.533 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | S521 G522 E527 I528 V529 | S521-V525 WeakPolarHBondContact O-CG2 3.33Å; S521-V525 PolarHBondContact O-N 2.75Å; G522-V525 PolarHBondContact O-N 3.24Å; G522-V525 VanDerWaalsContact O-N 3.12Å; V525-E527 VanDerWaalsContact C-N 3.35Å; V525-E527 PolarHBondContact O-N 2.81Å; V525-I528 PolarHBondContact O-N 2.66Å; V525-V529 HydrophobicContact CG1-CG2 4.29Å; V525-V529 WeakPolarHBondContact O-CG2 3.24Å; V525-V529 PolarHBondContact O-N 3.02Å |
| 526 | V | 70.1 | Confident | 66.2 | Low | 95 Ų | 95 | 112.1 Ų | 112.1 | 58% | 0.576 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.3 | -42 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | G522 I528 V529 K530 | G522-V526 WeakPolarHBondContact O-CG2 3.4Å; G522-V526 PolarHBondContact O-N 2.83Å; V526-I528 VanDerWaalsContact C-N 3.34Å; V526-I528 PolarHBondContact O-N 3.21Å; V526-V529 PolarHBondContact O-N 3.25Å; V526-K530 VanDerWaalsContact O-CB 3.32Å; V526-K530 WeakPolarHBondContact O-CB 3.41Å; V526-K530 PolarHBondContact O-N 3.21Å |
| 527 | E | 68 | Low | 65 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 51% | 0.514 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -36 | 176.7 | -153.6 | -156.7 | 151.5 | 0 | 0 | 112.9 | E523 K524 V525 K531 | E523-E527 PolarHBondContact O-N 3.08Å; K524-E527 PolarHBondContact O-N 3.47Å; V525-E527 VanDerWaalsContact C-N 3.35Å; V525-E527 PolarHBondContact O-N 2.81Å; E527-K531 PolarHBondContact O-N 2.99Å; E527-K531 IonicContact OE1-NZ 2.83Å; E527-K531 PolarHBondContact OE1-NZ 3.46Å |
| 528 | I | 69.8 | Low | 64 | Low | 105 Ų | 105 | 114 Ų | 114 | 54% | 0.538 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.8 | -45.8 | 175.7 | -69.8 | 165.1 | 0 | 0 | 0 | 111 | K524 V525 V526 K530 K531 L532 | K524-I528 VanDerWaalsContact O-CG1 3.3Å; K524-I528 WeakPolarHBondContact O-CG1 3.11Å; K524-I528 PolarHBondContact O-N 3.37Å; V525-I528 PolarHBondContact O-N 2.66Å; V526-I528 VanDerWaalsContact C-N 3.34Å; V526-I528 PolarHBondContact O-N 3.21Å; I528-K530 VanDerWaalsContact C-N 3.34Å; I528-K530 PolarHBondContact O-N 2.87Å; I528-K531 PolarHBondContact O-N 2.78Å; I528-L532 HydrophobicContact CG2-CD1 4.29Å; I528-L532 PolarHBondContact O-N 2.83Å |
| 529 | V | 72.8 | Confident | 62.5 | Low | 77 Ų | 77 | 121.4 Ų | 121.4 | 47% | 0.467 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.5 | -47 | 175.8 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | V525 V526 K531 L532 E533 | V525-V529 HydrophobicContact CG1-CG2 4.29Å; V525-V529 WeakPolarHBondContact O-CG2 3.24Å; V525-V529 PolarHBondContact O-N 3.02Å; V526-V529 PolarHBondContact O-N 3.25Å; V529-K531 VanDerWaalsContact C-N 3.26Å; V529-K531 PolarHBondContact O-N 3.36Å; V529-L532 CarbonylContact O-C 3.51Å; V529-L532 WeakPolarHBondContact O-CA 3.36Å; V529-L532 WeakPolarHBondContact O-CB 3.43Å; V529-L532 PolarHBondContact O-N 2.96Å; V529-E533 VanDerWaalsContact O-CB 3.32Å; V529-E533 WeakPolarHBondContact O-CB 3.22Å; V529-E533 PolarHBondContact O-N 2.88Å |
| 530 | K | 73.3 | Confident | 60.8 | Low | 137 Ų | 137 | 122.9 Ų | 122.9 | 60% | 0.596 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.3 | -30.1 | 179.9 | -153.9 | 163.3 | -171.3 | 164.9 | 0 | 113.1 | V526 I528 S534 | V526-K530 VanDerWaalsContact O-CB 3.32Å; V526-K530 WeakPolarHBondContact O-CB 3.41Å; V526-K530 PolarHBondContact O-N 3.21Å; I528-K530 VanDerWaalsContact C-N 3.34Å; I528-K530 PolarHBondContact O-N 2.87Å; K530-S534 VanDerWaalsContact O-CB 3.3Å; K530-S534 WeakPolarHBondContact O-CB 3.47Å; K530-S534 PolarHBondContact O-N 3.27Å; K530-S534 VanDerWaalsContact O-N 3.08Å; K530-S534 PolarHBondContact O-OG 3.05Å |
| 531 | K | 69.9 | Low | 59.6 | Low | 130 Ų | 130 | 128.5 Ų | 128.5 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.7 | -30.2 | 171.3 | -90.3 | 165.7 | 176 | 149.5 | 0 | 113.6 | E527 I528 V529 R535 | E527-K531 PolarHBondContact O-N 2.99Å; E527-K531 IonicContact OE1-NZ 2.83Å; E527-K531 PolarHBondContact OE1-NZ 3.46Å; I528-K531 PolarHBondContact O-N 2.78Å; V529-K531 VanDerWaalsContact C-N 3.26Å; V529-K531 PolarHBondContact O-N 3.36Å; K531-R535 WeakPolarHBondContact O-CB 3.39Å |
| 532 | L | 61.9 | Low | 58 | Low | 100 Ų | 100 | 133.8 Ų | 133.8 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.5 | -48.8 | 171.7 | -86.4 | 159.4 | 0 | 0 | 0 | 111.3 | I528 V529 S534 R535 Q536 | I528-L532 HydrophobicContact CG2-CD1 4.29Å; I528-L532 PolarHBondContact O-N 2.83Å; V529-L532 CarbonylContact O-C 3.51Å; V529-L532 WeakPolarHBondContact O-CA 3.36Å; V529-L532 WeakPolarHBondContact O-CB 3.43Å; V529-L532 PolarHBondContact O-N 2.96Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.5Å; L532-R535 CarbonylContact O-C 3.54Å; L532-R535 WeakPolarHBondContact O-CA 3.44Å; L532-R535 WeakPolarHBondContact O-CB 3.3Å; L532-R535 PolarHBondContact O-N 2.84Å; L532-Q536 WeakPolarHBondContact O-CB 3.3Å; L532-Q536 PolarHBondContact O-N 3.49Å |
| 533 | E | 59.3 | Low | 56.5 | Low | 119 Ų | 119 | 140.5 Ų | 140.5 | 56% | 0.556 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -55.1 | -46 | 176.3 | -171.7 | 176.7 | -125.7 | 0 | 0 | 111.6 | V529 R535 Q536 R537 | V529-E533 VanDerWaalsContact O-CB 3.32Å; V529-E533 WeakPolarHBondContact O-CB 3.22Å; V529-E533 PolarHBondContact O-N 2.88Å; E533-R535 PolarHBondContact O-N 3.26Å; E533-R535 VanDerWaalsContact O-N 3.15Å; E533-Q536 PolarHBondContact O-N 2.81Å; E533-R537 PolarHBondContact O-N 3.21Å; E533-R537 VanDerWaalsContact O-N 3.11Å |
| 534 | S | 56.1 | Low | 55.3 | Low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -62.6 | -17.5 | 173.1 | -59.4 | 0 | 0 | 0 | 0 | 114.6 | K530 L532 | K530-S534 VanDerWaalsContact O-CB 3.3Å; K530-S534 WeakPolarHBondContact O-CB 3.47Å; K530-S534 PolarHBondContact O-N 3.27Å; K530-S534 VanDerWaalsContact O-N 3.08Å; K530-S534 PolarHBondContact O-OG 3.05Å; L532-S534 VanDerWaalsContact C-N 3.34Å; L532-S534 PolarHBondContact O-N 3.5Å |
| 535 | R | 50.3 | Low | 54.6 | Low | 220 Ų | 220 | 137.5 Ų | 137.5 | 83% | 0.83 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -105 | -20.5 | -178.4 | -166.5 | 177.5 | -175 | -148.9 | -0.9 | 112.9 | K531 L532 E533 | K531-R535 WeakPolarHBondContact O-CB 3.39Å; L532-R535 CarbonylContact O-C 3.54Å; L532-R535 WeakPolarHBondContact O-CA 3.44Å; L532-R535 WeakPolarHBondContact O-CB 3.3Å; L532-R535 PolarHBondContact O-N 2.84Å; E533-R535 PolarHBondContact O-N 3.26Å; E533-R535 VanDerWaalsContact O-N 3.15Å |
| 536 | Q | 45.9 | Very low | 53.9 | Low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -91.2 | -17 | 176.9 | -170.3 | 166.9 | -14.9 | 0 | 0 | 112.1 | L532 E533 G538 | L532-Q536 WeakPolarHBondContact O-CB 3.3Å; L532-Q536 PolarHBondContact O-N 3.49Å; E533-Q536 PolarHBondContact O-N 2.81Å; Q536-G538 PolarHBondContact O-N 3Å |
| 537 | R | 45.4 | Very low | 53.1 | Low | 236 Ų | 236 | 146.5 Ų | 146.5 | 89% | 0.891 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -80.5 | 55.7 | 175.7 | -153.3 | 175.7 | -159.2 | -144.9 | 3.3 | 113.6 | E533 | E533-R537 PolarHBondContact O-N 3.21Å; E533-R537 VanDerWaalsContact O-N 3.11Å |
| 538 | G | 47.9 | Very low | 52.3 | Low | 44 Ų | 44 | 149.6 Ų | 149.6 | 45% | 0.454 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -159.4 | 140.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q536 | Q536-G538 PolarHBondContact O-N 3Š|
| 539 | W | 38.6 | Very low | 51.5 | Low | 257 Ų | 257 | 148.1 Ų | 148.1 | 97% | 0.973 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 79.2 | 138.8 | -162.4 | -52.1 | 96.4 | 0 | 0 | 0 | 114.5 | ||
| 540 | E | 33.4 | Very low | 51.3 | Low | 199 Ų | 199 | 147.7 Ų | 147.7 | 93% | 0.93 | 72% | 0.718 | S | S | * | * | trans | 67.8 | 145.3 | 178.5 | -65.1 | 175.2 | 164.9 | 0 | 0 | 117 | ||||
| 541 | E | 43.3 | Very low | 51.3 | Low | 192 Ų | 192 | 147.7 Ų | 147.7 | 90% | 0.897 | 72% | 0.723 | S | S | * | * | trans | -118.7 | 130.1 | -165.8 | -66.1 | 170.4 | 109.9 | 0 | 0 | 109.6 | ||||
| 542 | D | 36.9 | Very low | 51.6 | Low | 167 Ų | 167 | 147.4 Ų | 147.4 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | trans | -107.5 | 123.1 | 162.6 | -80.1 | -55.6 | 0 | 0 | 0 | 108.6 | D544 | D542-D544 PolarHBondContact O-N 3.14Š| ||
| 543 | E | 38.9 | Very low | 52.2 | Low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | trans | -74.8 | 92.6 | 174.9 | -79.9 | -152.6 | 121.3 | 0 | 0 | 111.3 | P545 | E543-P545 VanDerWaalsContact O-CD 3.3Å; E543-P545 WeakPolarHBondContact O-CD 3.44Å | ||
| 544 | D | 44.3 | Very low | 53.2 | Low | 92 Ų | 92 | 147.7 Ų | 147.7 | 49% | 0.492 | 73% | 0.731 | S | S | . | * | trans | -65.6 | 108.9 | 171.6 | -169.9 | -0.3 | 0 | 0 | 0 | 110.8 | D542 E546 R547 | D542-D544 PolarHBondContact O-N 3.14Å; D544-E546 PolarHBondContact O-N 3.09Å; D544-E546 VanDerWaalsContact O-N 3.12Å; D544-R547 PolarHBondContact O-N 3.11Å; D544-R547 VanDerWaalsContact O-N 3.14Å | ||
| 545 | P | 52.8 | Low | 54.4 | Low | 93 Ų | 93 | 147 Ų | 147 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -67 | -19.4 | -165.8 | 26.3 | -34.9 | 0 | 0 | 0 | 113.8 | E543 R547 | E543-P545 VanDerWaalsContact O-CD 3.3Å; E543-P545 WeakPolarHBondContact O-CD 3.44Å; P545-R547 PolarHBondContact O-N 3.25Å |
| 546 | E | 53.5 | Low | 55.6 | Low | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -69.4 | -10.9 | 177.3 | -60.5 | -165.1 | 160.4 | 0 | 0 | 113.3 | D544 | D544-E546 PolarHBondContact O-N 3.09Å; D544-E546 VanDerWaalsContact O-N 3.12Å |
| 547 | R | 53 | Low | 57 | Low | 190 Ų | 190 | 135.5 Ų | 135.5 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -84.8 | -1.2 | 179.1 | -71.7 | -171.1 | 170.5 | -154.4 | -4 | 115.6 | D544 P545 G549 A550 | D544-R547 PolarHBondContact O-N 3.11Å; D544-R547 VanDerWaalsContact O-N 3.14Å; P545-R547 PolarHBondContact O-N 3.25Å; R547-G549 PolarHBondContact O-N 3.41Å; R547-A550 PolarHBondContact O-N 3.13Å |
| 548 | K | 51.4 | Low | 58.7 | Low | 176 Ų | 176 | 128.8 Ų | 128.8 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 3.6 | -174.4 | -69.7 | -171.5 | 175.2 | -172.7 | 0 | 116.2 | ||
| 549 | G | 52.3 | Low | 60.3 | Low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | -3.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | R547 I551 | R547-G549 PolarHBondContact O-N 3.41Å; G549-I551 PolarHBondContact O-N 2.67Å |
| 550 | A | 68.3 | Low | 62 | Low | 68 Ų | 68 | 123.6 Ų | 123.6 | 56% | 0.562 | 66% | 0.657 | S | S | * | * | trans | -82.5 | 116.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R547 V552 | R547-A550 PolarHBondContact O-N 3.13Å; A550-V552 PolarHBondContact O-N 3.16Å | ||
| 551 | I | 74.7 | Confident | 63.9 | Low | 137 Ų | 137 | 121.1 Ų | 121.1 | 70% | 0.703 | 64% | 0.639 | S | S | * | * | trans | -75.4 | 105.5 | 174.1 | -58.1 | 175.8 | 0 | 0 | 0 | 109.8 | G549 F553 | G549-I551 PolarHBondContact O-N 2.67Å; I551-F553 HydrophobicContact CB-CE2 4.15Å; I551-F553 HydrophobicContact CG2-CD2 4.04Å; I551-F553 HydrophobicContact CG2-CE1 4.3Å; I551-F553 HydrophobicContact CG2-CE2 3.59Å; I551-F553 HydrophobicContact CG2-CZ 3.74Å; I551-F553 PolarHBondContact O-N 2.93Å | ||
| 552 | V | 74.7 | Confident | 65.4 | Low | 123 Ų | 123 | 117.2 Ų | 117.2 | 75% | 0.745 | 63% | 0.629 | S | S | * | * | trans | -83.9 | 105.2 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | A550 | A550-V552 PolarHBondContact O-N 3.16Š| ||
| 553 | F | 74.9 | Confident | 67.2 | Low | 139 Ų | 139 | 115 Ų | 115 | 61% | 0.61 | 62% | 0.616 | S | S | * | * | trans | -78.7 | 117.4 | 171.7 | -68 | -87.1 | 0 | 0 | 0 | 110.4 | I551 E558 | I551-F553 HydrophobicContact CB-CE2 4.15Å; I551-F553 HydrophobicContact CG2-CD2 4.04Å; I551-F553 HydrophobicContact CG2-CE1 4.3Å; I551-F553 HydrophobicContact CG2-CE2 3.59Å; I551-F553 HydrophobicContact CG2-CZ 3.74Å; I551-F553 PolarHBondContact O-N 2.93Å; F553-E558 HydrophobicContact CD1-CG 4.34Å; F553-E558 WeakPolarHBondContact CD1-OE1 3.43Å | ||
| 554 | N | 80.6 | Confident | 68.5 | Low | 86 Ų | 86 | 109 Ų | 109 | 46% | 0.46 | 60% | 0.601 | S | S | . | * | trans | -115.9 | 131 | 173.7 | -179.5 | -21.7 | 0 | 0 | 0 | 108.3 | T556 S557 E558 | N554-T556 PolarHBondContact O-N 2.87Å; N554-T556 VanDerWaalsContact O-N 3.1Å; N554-T556 PolarHBondContact OD1-N 3.39Å; N554-T556 PolarHBondContact OD1-OG1 3.11Å; N554-S557 PolarHBondContact O-N 3.32Å; N554-S557 PolarHBondContact O-OG 3.15Å; N554-E558 PolarHBondContact O-N 2.84Å | ||
| 555 | A | 81.9 | Confident | 69.4 | Low | 80 Ų | 80 | 112.3 Ų | 112.3 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -53.1 | -34.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F559 | A555-F559 VanDerWaalsContact O-CB 3.24Å; A555-F559 WeakPolarHBondContact O-CB 3.32Å; A555-F559 PolarHBondContact O-N 3.4Å |
| 556 | T | 75.3 | Confident | 69.7 | Low | 93 Ų | 93 | 114.7 Ų | 114.7 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71 | -37.3 | 176.6 | -49.8 | 0 | 0 | 0 | 0 | 112.4 | N554 C560 | N554-T556 PolarHBondContact O-N 2.87Å; N554-T556 VanDerWaalsContact O-N 3.1Å; N554-T556 PolarHBondContact OD1-N 3.39Å; N554-T556 PolarHBondContact OD1-OG1 3.11Å; T556-C560 WeakPolarHBondContact O-CB 3.37Å; T556-C560 PolarHBondContact O-N 3.32Å; T556-C560 VanDerWaalsContact O-N 3.09Å; T556-C560 PolarHBondContact O-SG 3.37Å; T556-C560 VanDerWaalsContact O-SG 3.32Å |
| 557 | S | 74.9 | Confident | 69.9 | Low | 46 Ų | 46 | 111.3 Ų | 111.3 | 32% | 0.322 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -74.3 | -37.2 | 178.2 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | N554 R561 | N554-S557 PolarHBondContact O-N 3.32Å; N554-S557 PolarHBondContact O-OG 3.15Å; S557-R561 VanDerWaalsContact O-CB 3.27Å; S557-R561 WeakPolarHBondContact O-CB 2.76Å; S557-R561 PolarHBondContact O-N 3.33Å |
| 558 | E | 81.2 | Confident | 70.1 | Confident | 94 Ų | 94 | 106.3 Ų | 106.3 | 44% | 0.439 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66 | -44 | 173.2 | -64.6 | -149.5 | 115.8 | 0 | 0 | 112.1 | F553 N554 C560 R561 T562 | F553-E558 HydrophobicContact CD1-CG 4.34Å; F553-E558 WeakPolarHBondContact CD1-OE1 3.43Å; N554-E558 PolarHBondContact O-N 2.84Å; E558-C560 PolarHBondContact O-N 3.02Å; E558-R561 WeakPolarHBondContact O-CB 3.38Å; E558-R561 PolarHBondContact O-N 2.79Å; E558-R561 VanDerWaalsContact O-N 3.15Å; E558-T562 PolarHBondContact O-N 2.79Å; E558-T562 VanDerWaalsContact O-N 3.08Å |
| 559 | F | 81.2 | Confident | 70.5 | Confident | 124 Ų | 124 | 104.2 Ų | 104.2 | 54% | 0.544 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -55.6 | -53.2 | 174.2 | 179.3 | -114.9 | 0 | 0 | 0 | 111.3 | A555 R561 T562 L563 | A555-F559 VanDerWaalsContact O-CB 3.24Å; A555-F559 WeakPolarHBondContact O-CB 3.32Å; A555-F559 PolarHBondContact O-N 3.4Å; F559-R561 VanDerWaalsContact C-N 3.28Å; F559-R561 PolarHBondContact O-N 3.31Å; F559-T562 PolarHBondContact O-N 3.39Å; F559-T562 PolarHBondContact O-OG1 3.39Å; F559-L563 HydrophobicContact CD1-CD1 4.04Å; F559-L563 HydrophobicContact CE1-CD1 3.65Å; F559-L563 HydrophobicContact CE2-CD1 4.41Å; F559-L563 HydrophobicContact CZ-CD1 3.86Å; F559-L563 HydrophobicContact CZ-CD2 4.47Å; F559-L563 HydrophobicContact CZ-CG 4.48Å; F559-L563 PolarHBondContact O-N 2.94Å |
| 560 | C | 74.1 | Confident | 70.8 | Confident | 69 Ų | 69 | 104 Ų | 104 | 47% | 0.466 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.9 | -33.6 | 177.1 | -69.7 | 0 | 0 | 0 | 0 | 113.3 | T556 E558 T562 L563 | T556-C560 WeakPolarHBondContact O-CB 3.37Å; T556-C560 PolarHBondContact O-N 3.32Å; T556-C560 VanDerWaalsContact O-N 3.09Å; T556-C560 PolarHBondContact O-SG 3.37Å; T556-C560 VanDerWaalsContact O-SG 3.32Å; E558-C560 PolarHBondContact O-N 3.02Å; C560-T562 VanDerWaalsContact C-N 3.27Å; C560-T562 PolarHBondContact O-N 3.11Å; C560-L563 PolarHBondContact O-N 3.14Å |
| 561 | R | 74.7 | Confident | 70.5 | Confident | 146 Ų | 146 | 107.6 Ų | 107.6 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.9 | -22.9 | 174.7 | -167 | 177.8 | -174.1 | -174 | 3.5 | 113.5 | S557 E558 F559 Y569 | S557-R561 VanDerWaalsContact O-CB 3.27Å; S557-R561 WeakPolarHBondContact O-CB 2.76Å; S557-R561 PolarHBondContact O-N 3.33Å; E558-R561 WeakPolarHBondContact O-CB 3.38Å; E558-R561 PolarHBondContact O-N 2.79Å; E558-R561 VanDerWaalsContact O-N 3.15Å; F559-R561 VanDerWaalsContact C-N 3.28Å; F559-R561 PolarHBondContact O-N 3.31Å; R561-Y569 HydrophobicContact CB-CD2 4.44Å; R561-Y569 HydrophobicContact CB-CE2 3.74Å; R561-Y569 HydrophobicContact CG-CD2 4.24Å; R561-Y569 HydrophobicContact CG-CE2 3.86Å |
| 562 | T | 74 | Confident | 69.9 | Low | 111 Ų | 111 | 105.3 Ų | 105.3 | 68% | 0.681 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -88 | -8.5 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 114.7 | E558 F559 C560 | E558-T562 PolarHBondContact O-N 2.79Å; E558-T562 VanDerWaalsContact O-N 3.08Å; F559-T562 PolarHBondContact O-N 3.39Å; F559-T562 PolarHBondContact O-OG1 3.39Å; C560-T562 VanDerWaalsContact C-N 3.27Å; C560-T562 PolarHBondContact O-N 3.11Å |
| 563 | L | 75.2 | Confident | 68.9 | Low | 120 Ų | 120 | 102.9 Ų | 102.9 | 63% | 0.628 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -92.7 | 1.2 | -176.4 | -71 | 176.8 | 0 | 0 | 0 | 114.8 | F559 C560 | F559-L563 HydrophobicContact CD1-CD1 4.04Å; F559-L563 HydrophobicContact CE1-CD1 3.65Å; F559-L563 HydrophobicContact CE2-CD1 4.41Å; F559-L563 HydrophobicContact CZ-CD1 3.86Å; F559-L563 HydrophobicContact CZ-CD2 4.47Å; F559-L563 HydrophobicContact CZ-CG 4.48Å; F559-L563 PolarHBondContact O-N 2.94Å; C560-L563 PolarHBondContact O-N 3.14Å |
| 564 | G | 66.6 | Low | 67.9 | Low | 47 Ų | 47 | 103.5 Ų | 103.5 | 49% | 0.485 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -148 | 163.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 565 | E | 62.8 | Low | 66.7 | Low | 162 Ų | 162 | 110.2 Ų | 110.2 | 76% | 0.757 | 63% | 0.629 | S | S | * | * | trans | -72.3 | 129.7 | 176 | -64.1 | -173.9 | 170.4 | 0 | 0 | 110.9 | P567 T568 | E565-P567 VanDerWaalsContact C-N 3.3Å; E565-P567 WeakPolarHBondContact O-CD 3.3Å; E565-T568 PolarHBondContact O-N 3.18Å; E565-T568 VanDerWaalsContact O-N 3.1Å; E565-T568 PolarHBondContact O-OG1 3.41Å; E565-T568 VanDerWaalsContact O-OG1 3.07Å | ||
| 566 | I | 58.8 | Low | 64.9 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 73% | 0.728 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -48.4 | -37.1 | -170.9 | -61.5 | 171.7 | 0 | 0 | 0 | 114.9 | T568 Y569 | I566-T568 VanDerWaalsContact C-N 3.26Å; I566-T568 PolarHBondContact O-N 3.39Å; I566-Y569 PolarHBondContact O-N 3.15Å |
| 567 | P | 56.4 | Low | 63 | Low | 111 Ų | 111 | 120.4 Ų | 120.4 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -60.8 | -24.2 | 180 | -26.3 | 36.6 | 0 | 0 | 0 | 115.9 | E565 | E565-P567 VanDerWaalsContact C-N 3.3Å; E565-P567 WeakPolarHBondContact O-CD 3.3Å |
| 568 | T | 57.2 | Low | 61.2 | Low | 85 Ų | 85 | 127.1 Ų | 127.1 | 52% | 0.521 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -89.5 | -13.6 | -176.9 | 61 | 0 | 0 | 0 | 0 | 113.9 | E565 I566 G570 L571 | E565-T568 PolarHBondContact O-N 3.18Å; E565-T568 VanDerWaalsContact O-N 3.1Å; E565-T568 PolarHBondContact O-OG1 3.41Å; E565-T568 VanDerWaalsContact O-OG1 3.07Å; I566-T568 VanDerWaalsContact C-N 3.26Å; I566-T568 PolarHBondContact O-N 3.39Å; T568-G570 PolarHBondContact O-N 2.82Å; T568-G570 VanDerWaalsContact O-N 3.08Å; T568-L571 HydrophobicContact CG2-CD1 4.38Å; T568-L571 PolarHBondContact O-N 2.97Å |
| 569 | Y | 60 | Low | 59.3 | Low | 132 Ų | 132 | 132 Ų | 132 | 52% | 0.518 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62 | -20.5 | -174.1 | -167.3 | -98.1 | 0 | 0 | 0 | 114 | R561 I566 | R561-Y569 HydrophobicContact CB-CD2 4.44Å; R561-Y569 HydrophobicContact CB-CE2 3.74Å; R561-Y569 HydrophobicContact CG-CD2 4.24Å; R561-Y569 HydrophobicContact CG-CE2 3.86Å; I566-Y569 PolarHBondContact O-N 3.15Å |
| 570 | G | 59.8 | Low | 57.4 | Low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -8.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | T568 A572 | T568-G570 PolarHBondContact O-N 2.82Å; T568-G570 VanDerWaalsContact O-N 3.08Å; G570-A572 VanDerWaalsContact C-N 3.33Å; G570-A572 PolarHBondContact O-N 3.41Å |
| 571 | L | 61.2 | Low | 55.8 | Low | 143 Ų | 143 | 140.1 Ų | 140.1 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -4.3 | -169.5 | -66.4 | 175.7 | 0 | 0 | 0 | 114.8 | T568 G573 | T568-L571 HydrophobicContact CG2-CD1 4.38Å; T568-L571 PolarHBondContact O-N 2.97Å; L571-G573 VanDerWaalsContact C-N 3.33Å; L571-G573 PolarHBondContact O-N 2.83Å |
| 572 | A | 61.9 | Low | 54.1 | Low | 88 Ų | 88 | 141.3 Ų | 141.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -2.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G570 N574 | G570-A572 VanDerWaalsContact C-N 3.33Å; G570-A572 PolarHBondContact O-N 3.41Å; A572-N574 PolarHBondContact O-N 3.41Å |
| 573 | G | 53.2 | Low | 52.2 | Low | 72 Ų | 72 | 143.8 Ų | 143.8 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 67.2 | -16.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | L571 R575 | L571-G573 VanDerWaalsContact C-N 3.33Å; L571-G573 PolarHBondContact O-N 2.83Å; G573-R575 VanDerWaalsContact C-N 3.25Å; G573-R575 PolarHBondContact O-N 3.48Å | ||
| 574 | N | 55.4 | Low | 50.2 | Low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | -88.6 | 51.6 | -173.1 | -156.2 | 99.8 | 0 | 0 | 0 | 112.8 | A572 | A572-N574 PolarHBondContact O-N 3.41Š| ||
| 575 | R | 54.1 | Low | 48.7 | Very low | 227 Ų | 227 | 155.2 Ų | 155.2 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -141.6 | 90.5 | 177 | -176.5 | 67.7 | 171.8 | 175.9 | 2.2 | 106.9 | G573 E577 | G573-R575 VanDerWaalsContact C-N 3.25Å; G573-R575 PolarHBondContact O-N 3.48Å; R575-E577 PolarHBondContact O-N 2.97Å |
| 576 | E | 44.4 | Very low | 47.7 | Very low | 190 Ų | 190 | 157.8 Ų | 157.8 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -64.7 | 127.6 | -162.9 | -65.6 | 167.6 | 139.6 | 0 | 0 | 112.7 | ||||
| 577 | E | 35 | Very low | 46.4 | Very low | 197 Ų | 197 | 159 Ų | 159 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -90.8 | 125.2 | 165.8 | -66 | 176 | 139.3 | 0 | 0 | 107.6 | R575 | R575-E577 PolarHBondContact O-N 2.97Š| ||
| 578 | Q | 38.4 | Very low | 45.2 | Very low | 188 Ų | 188 | 163.1 Ų | 163.1 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -131.7 | 61.5 | -174.2 | -162.8 | -176.1 | 9.3 | 0 | 0 | 111.9 | ||||
| 579 | E | 41 | Very low | 44 | Very low | 195 Ų | 195 | 168.1 Ų | 168.1 | 91% | 0.911 | 84% | 0.838 | S | S | * | * | trans | -136.1 | 46.7 | 179.6 | -66.9 | -165 | 141.1 | 0 | 0 | 113.4 | ||||
| 580 | E | 41.7 | Very low | 42.8 | Very low | 193 Ų | 193 | 173.8 Ų | 173.8 | 90% | 0.902 | 86% | 0.859 | S | S | * | * | S | Bend | trans | -150.2 | 45.8 | 175.9 | -144.8 | 172.5 | -131.6 | 0 | 0 | 115.6 | ||
| 581 | L | 40.8 | Very low | 41.3 | Very low | 172 Ų | 172 | 176.5 Ų | 176.5 | 90% | 0.901 | 87% | 0.866 | S | S | * | * | S | Bend | trans | -159.5 | 65.2 | 179.8 | -124.1 | 157 | 0 | 0 | 0 | 115.6 | ||
| 582 | M | 37.3 | Very low | 39.9 | Very low | 170 Ų | 170 | 174.1 Ų | 174.1 | 84% | 0.837 | 87% | 0.868 | S | S | * | * | trans | -156.2 | 12.2 | 175.4 | -107.1 | -86.1 | -176.3 | 0 | 0 | 116 | ||||
| 583 | D | 35.8 | Very low | 38.3 | Very low | 164 Ų | 164 | 178.3 Ų | 178.3 | 88% | 0.877 | 88% | 0.878 | S | S | * | * | S | Bend | trans | -118.5 | 35.1 | -162 | -146.7 | 31.8 | 0 | 0 | 0 | 114.5 | ||
| 584 | F | 31.7 | Very low | 37.1 | Very low | 207 Ų | 207 | 178.4 Ų | 178.4 | 91% | 0.908 | 88% | 0.878 | S | S | * | * | S | Bend | trans | -140.9 | 2.9 | -175.8 | -123.6 | -90.3 | 0 | 0 | 0 | 117 | ||
| 585 | E | 36.7 | Very low | 35.9 | Very low | 199 Ų | 199 | 174.9 Ų | 174.9 | 93% | 0.93 | 88% | 0.878 | S | S | * | * | S | Bend | trans | -126.2 | 14.6 | -175.3 | -66.6 | -170.3 | 147.8 | 0 | 0 | 114.6 | ||
| 586 | R | 40.2 | Very low | 34.6 | Very low | 216 Ų | 216 | 169.2 Ų | 169.2 | 82% | 0.815 | 87% | 0.874 | S | S | * | * | S | Bend | trans | -109.2 | 12.2 | -174.5 | -154 | -177.9 | -78.3 | -92.1 | 0 | 115.8 | ||
| 587 | D | 31.7 | Very low | 33.8 | Very low | 168 Ų | 168 | 168.9 Ų | 168.9 | 90% | 0.898 | 87% | 0.872 | S | S | * | * | S | Bend | trans | -104.1 | -5.1 | -173.6 | -104.6 | -2.6 | 0 | 0 | 0 | 115.9 | ||
| 588 | E | 32.6 | Very low | 33.5 | Very low | 197 Ų | 197 | 165.3 Ų | 165.3 | 92% | 0.921 | 87% | 0.869 | S | S | * | * | S | Bend | trans | -91.6 | -17.5 | -178.5 | -75.3 | -160.2 | 131.8 | 0 | 0 | 115.9 | ||
| 589 | E | 31.8 | Very low | 33.1 | Very low | 190 Ų | 190 | 164.3 Ų | 164.3 | 89% | 0.888 | 87% | 0.87 | S | S | * | * | S | Bend | trans | -115.2 | 56.3 | -175 | -68.7 | -154.6 | 155.3 | 0 | 0 | 115.6 | ||
| 590 | R | 33.8 | Very low | 32.6 | Very low | 252 Ų | 252 | 158.7 Ų | 158.7 | 95% | 0.951 | 86% | 0.864 | S | S | * | * | trans | -152.8 | 65.7 | 158.5 | -129.4 | 172.7 | -168.9 | -135 | -2.3 | 117.3 | ||||
| 591 | S | 28.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 158.3 Ų | 158.3 | 88% | 0.881 | 86% | 0.862 | S | S | * | * | trans | -134.6 | 65.6 | 171.8 | -179 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 592 | A | 32.5 | Very low | 32 | Very low | 94 Ų | 94 | 157.6 Ų | 157.6 | 78% | 0.777 | 85% | 0.854 | S | S | * | * | trans | -157 | 122.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 593 | N | 28.1 | Very low | 31.7 | Very low | 176 Ų | 176 | 155.6 Ų | 155.6 | 94% | 0.941 | 85% | 0.847 | S | S | * | * | trans | 54.6 | 151.4 | 169.8 | -66.6 | -1.7 | 0 | 0 | 0 | 119.7 | ||||
| 594 | G | 28.7 | Very low | 31.5 | Very low | 73 Ų | 73 | 155.7 Ų | 155.7 | 75% | 0.753 | 85% | 0.846 | S | S | * | * | cis | 147.6 | 85.9 | -12.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 595 | G | 28.1 | Very low | 31.5 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | trans | 78.7 | 164.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 596 | S | 28.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | cis | -161.6 | 166.2 | -12.9 | -160.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 597 | E | 27.5 | Very low | 31.3 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | 61.6 | 129.2 | 163.3 | -47.4 | -167.9 | 151.8 | 0 | 0 | 120.5 | ||||
| 598 | S | 26.8 | Very low | 31.4 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | 172.2 | 163.4 | 104 | -153.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 599 | D | 30.1 | Very low | 31.9 | Very low | 168 Ų | 168 | 141 Ų | 141 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -88.2 | 163.7 | -178 | -73.1 | -55.6 | 0 | 0 | 0 | 114.1 | ||||
| 600 | G | 32.4 | Very low | 32.2 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 158.8 | 111.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 601 | E | 34 | Very low | 32.6 | Very low | 184 Ų | 184 | 132.7 Ų | 132.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -100.9 | 178.2 | 174.4 | -59.6 | -174 | 143.6 | 0 | 0 | 112.6 | ||||
| 602 | E | 34.6 | Very low | 33.1 | Very low | 158 Ų | 158 | 134 Ų | 134 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 76.8 | 143.3 | 164.4 | -61.7 | -162.7 | -150.4 | 0 | 0 | 118.1 | ||||
| 603 | N | 31.8 | Very low | 33.5 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | cis | -154.8 | -176.8 | -6.3 | -131.1 | -46.8 | 0 | 0 | 0 | 114.1 | ||||
| 604 | I | 31.8 | Very low | 34.2 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -102.7 | 142.3 | -164.1 | -62.5 | 157.1 | 0 | 0 | 0 | 114.6 | ||||
| 605 | G | 30.9 | Very low | 35 | Very low | 65 Ų | 65 | 142.6 Ų | 142.6 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | 126 | 140.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 606 | W | 32.2 | Very low | 35.8 | Very low | 253 Ų | 253 | 147 Ų | 147 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | cis | -138.6 | 149.2 | 10.6 | -119.6 | 46.1 | 0 | 0 | 0 | 112.1 | ||||
| 607 | S | 40.8 | Very low | 36 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -24.9 | 125.4 | 175.1 | 54.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 608 | T | 33.9 | Very low | 36.7 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -124.7 | 137.2 | 141.7 | 50.9 | 0 | 0 | 0 | 0 | 108.9 | N610 | T608-N610 PolarHBondContact O-N 3.04Š| ||
| 609 | V | 42.3 | Very low | 36.8 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -84.4 | 104.3 | -177.7 | -91.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 610 | N | 38.9 | Very low | 37.1 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | trans | -88.4 | 139.8 | 165.3 | -64.8 | -9.7 | 0 | 0 | 0 | 109 | T608 | T608-N610 PolarHBondContact O-N 3.04Š| ||
| 611 | L | 42.2 | Very low | 37 | Very low | 146 Ų | 146 | 149.7 Ų | 149.7 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -101.5 | -2.4 | -177.6 | -110.6 | 86.1 | 0 | 0 | 0 | 114.5 | ||
| 612 | D | 38.6 | Very low | 37.3 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -101.6 | 0.2 | -166.1 | -62.2 | -73.8 | 0 | 0 | 0 | 115.2 | ||
| 613 | E | 42 | Very low | 37.3 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | -94.9 | 2.3 | 179.4 | -72 | -169 | 134 | 0 | 0 | 115 | K615 | E613-K615 PolarHBondContact O-N 3.14Š| ||
| 614 | E | 41 | Very low | 37.7 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -66.4 | -2.5 | 179.1 | -79.1 | -156.8 | 131.7 | 0 | 0 | 114.7 | ||
| 615 | K | 46.9 | Very low | 38.2 | Very low | 201 Ų | 201 | 137.5 Ų | 137.5 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -95.7 | 3.9 | -172.1 | -125.4 | 179.6 | -176.9 | -176.4 | 0 | 116.8 | E613 | E613-K615 PolarHBondContact O-N 3.14Š|
| 616 | Q | 43.9 | Very low | 38.9 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -126.3 | 48.3 | 164 | -69.9 | -160 | 9.5 | 0 | 0 | 112.9 | Q618 | Q616-Q618 VanDerWaalsContact C-N 3.25Å; Q616-Q618 PolarHBondContact O-N 2.92Å |
| 617 | Q | 33.3 | Very low | 39.9 | Very low | 143 Ų | 143 | 134 Ų | 134 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | -63.1 | 95 | 147.6 | -64.5 | -174.2 | 22.5 | 0 | 0 | 107.9 | D619 | Q617-D619 PolarHBondContact O-N 2.83Å; Q617-D619 VanDerWaalsContact O-N 3.1Å | ||
| 618 | Q | 41.7 | Very low | 40.2 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | -63.4 | 111.8 | 160.1 | -77.3 | -167.5 | 0.5 | 0 | 0 | 107 | Q616 F620 | Q616-Q618 VanDerWaalsContact C-N 3.25Å; Q616-Q618 PolarHBondContact O-N 2.92Å; Q618-F620 PolarHBondContact O-N 3.25Å | ||
| 619 | D | 29.4 | Very low | 41.6 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | -57.2 | 97.6 | 176.3 | -89.6 | -51.6 | 0 | 0 | 0 | 110.1 | Q617 S621 | Q617-D619 PolarHBondContact O-N 2.83Å; Q617-D619 VanDerWaalsContact O-N 3.1Å; D619-S621 PolarHBondContact O-N 2.99Å | ||
| 620 | F | 36.6 | Very low | 42.7 | Very low | 198 Ų | 198 | 137.1 Ų | 137.1 | 87% | 0.868 | 72% | 0.719 | S | S | * | * | trans | -70.3 | 50.8 | 149.8 | -84.2 | -80.5 | 0 | 0 | 0 | 109.8 | Q618 A622 | Q618-F620 PolarHBondContact O-N 3.25Å; F620-A622 PolarHBondContact O-N 2.71Å | ||
| 621 | S | 30.8 | Very low | 44.2 | Very low | 73 Ų | 73 | 137 Ų | 137 | 51% | 0.51 | 72% | 0.715 | S | S | . | * | trans | -48.5 | 115.1 | 157.7 | 176.2 | 0 | 0 | 0 | 0 | 106.9 | D619 S623 | D619-S621 PolarHBondContact O-N 2.99Å; S621-S623 PolarHBondContact O-N 2.69Å; S621-S623 PolarHBondContact O-OG 3.11Å; S621-S623 PolarHBondContact OG-N 3.16Å | ||
| 622 | A | 40.8 | Very low | 45.6 | Very low | 101 Ų | 101 | 132 Ų | 132 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | trans | -73 | 50.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | F620 S624 | F620-A622 PolarHBondContact O-N 2.71Å; A622-S624 PolarHBondContact O-N 2.95Å | ||
| 623 | S | 34.5 | Very low | 47.2 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 59% | 0.587 | 68% | 0.678 | S | S | * | * | trans | -59.1 | 91.5 | 156.1 | 52.2 | 0 | 0 | 0 | 0 | 106.1 | S621 T625 | S621-S623 PolarHBondContact O-N 2.69Å; S621-S623 PolarHBondContact O-OG 3.11Å; S621-S623 PolarHBondContact OG-N 3.16Å; S623-T625 PolarHBondContact O-N 3.15Å | ||
| 624 | S | 38.9 | Very low | 48.7 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 65% | 0.65 | 66% | 0.661 | S | S | * | * | trans | -52.3 | 107.5 | 165 | 51.9 | 0 | 0 | 0 | 0 | 106.7 | A622 T626 | A622-S624 PolarHBondContact O-N 2.95Å; S624-T626 VanDerWaalsContact C-N 3.33Å; S624-T626 VanDerWaalsContact O-CG2 3.29Å; S624-T626 WeakPolarHBondContact O-CG2 3.32Å; S624-T626 PolarHBondContact O-N 2.91Å | ||
| 625 | T | 43.6 | Very low | 50.4 | Low | 100 Ų | 100 | 125 Ų | 125 | 61% | 0.613 | 67% | 0.665 | S | S | * | * | trans | -57.9 | 106.7 | 167.3 | 47.8 | 0 | 0 | 0 | 0 | 105.7 | S623 D629 | S623-T625 PolarHBondContact O-N 3.15Å; T625-D629 WeakPolarHBondContact CA-OD2 3.35Å; T625-D629 VanDerWaalsContact CB-OD2 3.28Å; T625-D629 WeakPolarHBondContact CB-OD2 3.32Å | ||
| 626 | T | 45.2 | Very low | 51.7 | Low | 65 Ų | 65 | 126 Ų | 126 | 40% | 0.399 | 66% | 0.663 | S | S | . | * | trans | -74.3 | 162.2 | -169.9 | 70.9 | 0 | 0 | 0 | 0 | 108.2 | S624 L628 D629 | S624-T626 VanDerWaalsContact C-N 3.33Å; S624-T626 VanDerWaalsContact O-CG2 3.29Å; S624-T626 WeakPolarHBondContact O-CG2 3.32Å; S624-T626 PolarHBondContact O-N 2.91Å; T626-L628 PolarHBondContact O-N 2.97Å; T626-L628 PolarHBondContact OG1-N 3.36Å; T626-D629 WeakPolarHBondContact CB-OD1 3.46Å; T626-D629 VanDerWaalsContact N-CG 3.31Å; T626-D629 PolarHBondContact N-OD1 3.39Å; T626-D629 PolarHBondContact N-OD2 3.46Å; T626-D629 VanDerWaalsContact N-OD2 3.16Å; T626-D629 PolarHBondContact O-N 2.95Å; T626-D629 PolarHBondContact OG1-OD1 2.93Å | ||
| 627 | I | 52 | Low | 53.6 | Low | 179 Ų | 179 | 119.4 Ų | 119.4 | 92% | 0.918 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 21.7 | 178 | -56.8 | 161.1 | 0 | 0 | 0 | 110.5 | ||
| 628 | L | 48 | Very low | 56.1 | Low | 152 Ų | 152 | 120 Ų | 120 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | -6.2 | -174.5 | -54.2 | 174.3 | 0 | 0 | 0 | 112.6 | T626 E630 | T626-L628 PolarHBondContact O-N 2.97Å; T626-L628 PolarHBondContact OG1-N 3.36Å; L628-E630 PolarHBondContact O-N 3.12Å |
| 629 | D | 62.8 | Low | 58.1 | Low | 82 Ų | 82 | 116 Ų | 116 | 44% | 0.439 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -65.7 | 131.6 | 176.1 | -55.1 | 4.2 | 0 | 0 | 0 | 108.9 | T625 T626 E631 | T625-D629 WeakPolarHBondContact CA-OD2 3.35Å; T625-D629 VanDerWaalsContact CB-OD2 3.28Å; T625-D629 WeakPolarHBondContact CB-OD2 3.32Å; T626-D629 WeakPolarHBondContact CB-OD1 3.46Å; T626-D629 VanDerWaalsContact N-CG 3.31Å; T626-D629 PolarHBondContact N-OD1 3.39Å; T626-D629 PolarHBondContact N-OD2 3.46Å; T626-D629 VanDerWaalsContact N-OD2 3.16Å; T626-D629 PolarHBondContact O-N 2.95Å; T626-D629 PolarHBondContact OG1-OD1 2.93Å; D629-E631 PolarHBondContact O-N 3Å |
| 630 | E | 65.6 | Low | 60.8 | Low | 192 Ų | 192 | 109.9 Ų | 109.9 | 90% | 0.897 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.6 | -166.8 | -62.9 | -171.2 | -175.1 | 0 | 0 | 112.7 | L628 | L628-E630 PolarHBondContact O-N 3.12Š|
| 631 | E | 70.4 | Confident | 63.1 | Low | 119 Ų | 119 | 101.7 Ų | 101.7 | 56% | 0.556 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 124.1 | -176.1 | -66.7 | -166.9 | 176.6 | 0 | 0 | 111.4 | D629 I633 L644 K648 | D629-E631 PolarHBondContact O-N 3Å; E631-I633 PolarHBondContact O-N 3.21Å; E631-L644 HydrophobicContact CB-CD1 3.81Å; E631-L644 HydrophobicContact CG-CD1 3.76Å; E631-K648 VanDerWaalsContact CD-CE 3.46Å; E631-K648 WeakPolarHBondContact OE1-CE 3.49Å; E631-K648 IonicContact OE1-NZ 2.78Å; E631-K648 PolarHBondContact OE1-NZ 2.89Å; E631-K648 IonicContact OE2-NZ 2.69Å; E631-K648 PolarHBondContact OE2-NZ 3.27Å |
| 632 | P | 72.1 | Confident | 65.7 | Low | 42 Ų | 42 | 102.7 Ų | 102.7 | 27% | 0.273 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 128.9 | -177.7 | 23.7 | -34 | 0 | 0 | 0 | 111 | V634 A640 L643 L644 | P632-V634 PolarHBondContact O-N 3.02Å; P632-A640 HydrophobicContact CB-CB 4.42Å; P632-L643 HydrophobicContact CG-CB 4.37Å; P632-L644 HydrophobicContact CG-CB 4.38Å |
| 633 | I | 72 | Confident | 67.8 | Low | 107 Ų | 107 | 102 Ų | 102 | 55% | 0.549 | 56% | 0.561 | S | S | . | * | trans | -63.8 | 104.5 | -172.7 | -57 | 169.7 | 0 | 0 | 0 | 110 | E631 N635 R636 | E631-I633 PolarHBondContact O-N 3.21Å; I633-N635 HydrophobicContact CG2-CB 4.02Å; I633-N635 PolarHBondContact O-N 3.42Å; I633-R636 PolarHBondContact O-N 2.84Å | ||
| 634 | V | 72.8 | Confident | 70.2 | Confident | 68 Ų | 68 | 99 Ų | 99 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -51.8 | -27.4 | -176 | 177.3 | 0 | 0 | 0 | 0 | 113.5 | P632 R636 G637 A641 L644 | P632-V634 PolarHBondContact O-N 3.02Å; V634-R636 PolarHBondContact O-N 3.17Å; V634-G637 PolarHBondContact O-N 3.02Å; V634-G637 VanDerWaalsContact O-N 3.07Å; V634-A641 HydrophobicContact CG1-CB 4.07Å; V634-L644 HydrophobicContact CG2-CD2 3.49Å; V634-L644 VanDerWaalsContact CG2-CD2 3.49Å |
| 635 | N | 77.4 | Confident | 72.4 | Confident | 154 Ų | 154 | 96.6 Ų | 96.6 | 82% | 0.824 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -61 | -13.6 | 177.4 | -55.6 | -10.2 | 0 | 0 | 0 | 114.1 | I633 | I633-N635 HydrophobicContact CG2-CB 4.02Å; I633-N635 PolarHBondContact O-N 3.42Å |
| 636 | R | 74.6 | Confident | 74.4 | Confident | 223 Ų | 223 | 96 Ų | 96 | 84% | 0.842 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -86.7 | 2.5 | 174.7 | -76.7 | -173.7 | 164.5 | 137.4 | -3.2 | 114.7 | I633 V634 | I633-R636 PolarHBondContact O-N 2.84Å; V634-R636 PolarHBondContact O-N 3.17Å |
| 637 | G | 83.3 | Confident | 76.2 | Confident | 34 Ų | 34 | 97.5 Ų | 97.5 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | trans | 126.7 | 175.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V634 A639 A640 A641 | V634-G637 PolarHBondContact O-N 3.02Å; V634-G637 VanDerWaalsContact O-N 3.07Å; G637-A639 PolarHBondContact O-N 2.69Å; G637-A640 WeakPolarHBondContact O-CB 3.48Å; G637-A640 PolarHBondContact O-N 3.47Å; G637-A641 PolarHBondContact O-N 3.13Å | ||
| 638 | L | 85.4 | Confident | 77.8 | Confident | 156 Ų | 156 | 93.7 Ų | 93.7 | 82% | 0.817 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.9 | -28.1 | -174.6 | -67.5 | 175 | 0 | 0 | 0 | 113.5 | A641 L642 | L638-A641 WeakPolarHBondContact O-CB 2.82Å; L638-A641 PolarHBondContact O-N 3.35Å; L638-L642 WeakPolarHBondContact O-CB 2.98Å; L638-L642 PolarHBondContact O-N 3.22Å |
| 639 | A | 84 | Confident | 79.4 | Confident | 72 Ų | 72 | 88.6 Ų | 88.6 | 60% | 0.595 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G637 A641 L642 L643 | G637-A639 PolarHBondContact O-N 2.69Å; A639-A641 VanDerWaalsContact C-N 3.34Å; A639-L642 PolarHBondContact O-N 2.91Å; A639-L643 WeakPolarHBondContact O-CB 3.28Å; A639-L643 WeakPolarHBondContact O-CG 3.31Å; A639-L643 PolarHBondContact O-N 2.88Å |
| 640 | A | 85.4 | Confident | 80.3 | Confident | 13 Ų | 13 | 90.5 Ų | 90.5 | 11% | 0.107 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P632 G637 L644 | P632-A640 HydrophobicContact CB-CB 4.42Å; G637-A640 WeakPolarHBondContact O-CB 3.48Å; G637-A640 PolarHBondContact O-N 3.47Å; A640-L644 VanDerWaalsContact O-CB 3.27Å; A640-L644 WeakPolarHBondContact O-CB 3.39Å; A640-L644 PolarHBondContact O-N 3.14Å |
| 641 | A | 85.6 | Confident | 81 | Confident | 27 Ų | 27 | 84.3 Ų | 84.3 | 22% | 0.223 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V634 G637 L638 A639 L644 C645 | V634-A641 HydrophobicContact CG1-CB 4.07Å; G637-A641 PolarHBondContact O-N 3.13Å; L638-A641 WeakPolarHBondContact O-CB 2.82Å; L638-A641 PolarHBondContact O-N 3.35Å; A639-A641 VanDerWaalsContact C-N 3.34Å; A641-L644 PolarHBondContact O-N 2.83Å; A641-C645 WeakPolarHBondContact O-CB 3.47Å; A641-C645 PolarHBondContact O-N 3.4Å; A641-C645 PolarHBondContact O-SG 2.67Å; A641-C645 VanDerWaalsContact O-SG 3.35Å |
| 642 | L | 85.3 | Confident | 80.8 | Confident | 94 Ų | 94 | 84.1 Ų | 84.1 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.8 | -48.3 | 178.3 | -164.9 | 162.4 | 0 | 0 | 0 | 110.8 | L638 A639 L644 C645 Q646 L651 | L638-L642 WeakPolarHBondContact O-CB 2.98Å; L638-L642 PolarHBondContact O-N 3.22Å; A639-L642 PolarHBondContact O-N 2.91Å; L642-L644 VanDerWaalsContact C-N 3.28Å; L642-L644 PolarHBondContact O-N 2.85Å; L642-C645 CarbonylContact O-C 3.57Å; L642-C645 PolarHBondContact O-N 3.05Å; L642-C645 VanDerWaalsContact O-N 3.13Å; L642-Q646 WeakPolarHBondContact O-CB 3.49Å; L642-Q646 PolarHBondContact O-N 3.5Å; L642-L651 HydrophobicContact CD2-CD1 3.71Å; L642-L651 HydrophobicContact CG-CD1 3.95Å |
| 643 | L | 84.9 | Confident | 80.4 | Confident | 85 Ų | 85 | 83.9 Ų | 83.9 | 45% | 0.445 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.4 | -42 | 172.5 | -73.5 | 167.4 | 0 | 0 | 0 | 111.6 | P632 A639 C645 Q646 N647 | P632-L643 HydrophobicContact CG-CB 4.37Å; A639-L643 WeakPolarHBondContact O-CB 3.28Å; A639-L643 WeakPolarHBondContact O-CG 3.31Å; A639-L643 PolarHBondContact O-N 2.88Å; L643-C645 PolarHBondContact O-N 3.12Å; L643-Q646 WeakPolarHBondContact O-CB 3.44Å; L643-Q646 PolarHBondContact O-N 2.94Å; L643-N647 WeakPolarHBondContact O-CB 3.44Å; L643-N647 VanDerWaalsContact O-CG 3.27Å; L643-N647 PolarHBondContact O-N 3.07Å; L643-N647 PolarHBondContact O-OD1 3.1Å |
| 644 | L | 85 | Confident | 79.5 | Confident | 21 Ų | 21 | 84.2 Ų | 84.2 | 11% | 0.11 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176 | -174.9 | 56.5 | 0 | 0 | 0 | 112.5 | E631 P632 V634 A640 A641 L642 Q646 K648 | E631-L644 HydrophobicContact CB-CD1 3.81Å; E631-L644 HydrophobicContact CG-CD1 3.76Å; P632-L644 HydrophobicContact CG-CB 4.38Å; V634-L644 HydrophobicContact CG2-CD2 3.49Å; V634-L644 VanDerWaalsContact CG2-CD2 3.49Å; A640-L644 VanDerWaalsContact O-CB 3.27Å; A640-L644 WeakPolarHBondContact O-CB 3.39Å; A640-L644 PolarHBondContact O-N 3.14Å; A641-L644 PolarHBondContact O-N 2.83Å; L642-L644 VanDerWaalsContact C-N 3.28Å; L642-L644 PolarHBondContact O-N 2.85Å; L644-Q646 VanDerWaalsContact C-N 3.35Å; L644-K648 HydrophobicContact CD1-CD 3.99Å; L644-K648 HydrophobicContact CD1-CG 4.39Å; L644-K648 HydrophobicContact CG-CD 4.11Å; L644-K648 VanDerWaalsContact O-CB 3.3Å; L644-K648 WeakPolarHBondContact O-CB 3.46Å; L644-K648 WeakPolarHBondContact O-CG 3.23Å; L644-K648 PolarHBondContact O-N 2.82Å |
| 645 | C | 85.2 | Confident | 78.6 | Confident | 43 Ų | 43 | 86.1 Ų | 86.1 | 29% | 0.291 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.9 | -31.2 | 174.5 | -73.8 | 0 | 0 | 0 | 0 | 112.9 | A641 L642 L643 G649 L650 L651 | A641-C645 WeakPolarHBondContact O-CB 3.47Å; A641-C645 PolarHBondContact O-N 3.4Å; A641-C645 PolarHBondContact O-SG 2.67Å; A641-C645 VanDerWaalsContact O-SG 3.35Å; L642-C645 CarbonylContact O-C 3.57Å; L642-C645 PolarHBondContact O-N 3.05Å; L642-C645 VanDerWaalsContact O-N 3.13Å; L643-C645 PolarHBondContact O-N 3.12Å; C645-G649 PolarHBondContact O-N 3.42Å; C645-L650 HydrophobicContact CB-CB 4.29Å; C645-L650 WeakPolarHBondContact O-CB 3.5Å; C645-L650 PolarHBondContact O-N 2.8Å; C645-L651 HydrophobicContact CB-CD1 4.06Å; C645-L651 HydrophobicContact CB-CD2 4.12Å; C645-L651 HydrophobicContact CB-CG 3.83Å |
| 646 | Q | 85.6 | Confident | 77.4 | Confident | 87 Ų | 87 | 83.6 Ų | 83.6 | 41% | 0.407 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -67.6 | -50.7 | 172.2 | 178.5 | 168.3 | -36.4 | 0 | 0 | 111 | L642 L643 L644 K648 G649 L651 T653 | L642-Q646 WeakPolarHBondContact O-CB 3.49Å; L642-Q646 PolarHBondContact O-N 3.5Å; L643-Q646 WeakPolarHBondContact O-CB 3.44Å; L643-Q646 PolarHBondContact O-N 2.94Å; L644-Q646 VanDerWaalsContact C-N 3.35Å; Q646-K648 VanDerWaalsContact C-N 3.28Å; Q646-K648 PolarHBondContact O-N 3.49Å; Q646-G649 PolarHBondContact O-N 2.71Å; Q646-L651 HydrophobicContact CB-CD1 4.24Å; Q646-T653 HydrophobicContact CG-CG2 4.27Å |
| 647 | N | 83.7 | Confident | 76 | Confident | 97 Ų | 97 | 78.6 Ų | 78.6 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 178.3 | -68 | 7.4 | 0 | 0 | 0 | 111.8 | L643 G649 | L643-N647 WeakPolarHBondContact O-CB 3.44Å; L643-N647 VanDerWaalsContact O-CG 3.27Å; L643-N647 PolarHBondContact O-N 3.07Å; L643-N647 PolarHBondContact O-OD1 3.1Å; N647-G649 PolarHBondContact O-N 3.4Å |
| 648 | K | 83.8 | Confident | 74.1 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 44% | 0.435 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 0.2 | 173 | -72.3 | 175.1 | 175.9 | 167.9 | 0 | 114.4 | E631 L644 Q646 L650 | E631-K648 VanDerWaalsContact CD-CE 3.46Å; E631-K648 WeakPolarHBondContact OE1-CE 3.49Å; E631-K648 IonicContact OE1-NZ 2.78Å; E631-K648 PolarHBondContact OE1-NZ 2.89Å; E631-K648 IonicContact OE2-NZ 2.69Å; E631-K648 PolarHBondContact OE2-NZ 3.27Å; L644-K648 HydrophobicContact CD1-CD 3.99Å; L644-K648 HydrophobicContact CD1-CG 4.39Å; L644-K648 HydrophobicContact CG-CD 4.11Å; L644-K648 VanDerWaalsContact O-CB 3.3Å; L644-K648 WeakPolarHBondContact O-CB 3.46Å; L644-K648 WeakPolarHBondContact O-CG 3.23Å; L644-K648 PolarHBondContact O-N 2.82Å; Q646-K648 VanDerWaalsContact C-N 3.28Å; Q646-K648 PolarHBondContact O-N 3.49Å; K648-L650 HydrophobicContact CB-CD1 4.06Å; K648-L650 HydrophobicContact CB-CG 3.92Å; K648-L650 PolarHBondContact O-N 2.81Å |
| 649 | G | 81.6 | Confident | 72.1 | Confident | 44 Ų | 44 | 80 Ų | 80 | 45% | 0.454 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 23.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | C645 Q646 N647 | C645-G649 PolarHBondContact O-N 3.42Å; Q646-G649 PolarHBondContact O-N 2.71Å; N647-G649 PolarHBondContact O-N 3.4Å |
| 650 | L | 82.6 | Confident | 70 | Confident | 122 Ų | 122 | 86.8 Ų | 86.8 | 64% | 0.639 | 47% | 0.471 | S | S | * | . | trans | -83 | -15.9 | 179.1 | -59.9 | 176.3 | 0 | 0 | 0 | 112.6 | C645 K648 | C645-L650 HydrophobicContact CB-CB 4.29Å; C645-L650 WeakPolarHBondContact O-CB 3.5Å; C645-L650 PolarHBondContact O-N 2.8Å; K648-L650 HydrophobicContact CB-CD1 4.06Å; K648-L650 HydrophobicContact CB-CG 3.92Å; K648-L650 PolarHBondContact O-N 2.81Å | ||
| 651 | L | 80.9 | Confident | 67.7 | Low | 63 Ų | 63 | 93.2 Ų | 93.2 | 33% | 0.33 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -100.9 | 131 | 176.2 | -56 | -179.5 | 0 | 0 | 0 | 110.6 | L642 C645 Q646 T653 | L642-L651 HydrophobicContact CD2-CD1 3.71Å; L642-L651 HydrophobicContact CG-CD1 3.95Å; C645-L651 HydrophobicContact CB-CD1 4.06Å; C645-L651 HydrophobicContact CB-CD2 4.12Å; C645-L651 HydrophobicContact CB-CG 3.83Å; Q646-L651 HydrophobicContact CB-CD1 4.24Å; L651-T653 HydrophobicContact CB-CG2 4.32Å; L651-T653 PolarHBondContact O-N 3.14Å |
| 652 | E | 66.2 | Low | 65.1 | Low | 115 Ų | 115 | 101.4 Ų | 101.4 | 54% | 0.537 | 54% | 0.539 | S | S | . | . | trans | -75.3 | 69.3 | 169.6 | -69 | -165.9 | 175.7 | 0 | 0 | 111.7 | K657 | E652-K657 VanDerWaalsContact OE2-CE 3.23Å; E652-K657 WeakPolarHBondContact OE2-CE 3.26Å; E652-K657 IonicContact OE2-NZ 3.85Å; E652-K657 PolarHBondContact OE2-NZ 3.21Å | ||
| 653 | T | 62.4 | Low | 62.7 | Low | 36 Ų | 36 | 101.1 Ų | 101.1 | 22% | 0.221 | 55% | 0.551 | C | S | . | * | trans | -59.7 | 141.6 | 173.4 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | Q646 L651 V655 Q656 | Q646-T653 HydrophobicContact CG-CG2 4.27Å; L651-T653 HydrophobicContact CB-CG2 4.32Å; L651-T653 PolarHBondContact O-N 3.14Å; T653-V655 PolarHBondContact O-N 2.9Å; T653-Q656 PolarHBondContact O-N 3.16Å | ||
| 654 | T | 54 | Low | 61.1 | Low | 115 Ų | 115 | 102.1 Ų | 102.1 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -56.4 | -36.1 | -171.9 | 44.5 | 0 | 0 | 0 | 0 | 112.9 | Q656 K657 | T654-Q656 VanDerWaalsContact C-N 3.28Å; T654-Q656 PolarHBondContact O-N 3.3Å; T654-K657 VanDerWaalsContact O-CB 3.31Å; T654-K657 WeakPolarHBondContact O-CB 3.3Å; T654-K657 PolarHBondContact O-N 3.19Å |
| 655 | V | 54.4 | Low | 59.1 | Low | 108 Ų | 108 | 106 Ų | 106 | 66% | 0.655 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -57.4 | -32.4 | 175.9 | -72.3 | 0 | 0 | 0 | 0 | 114.2 | T653 K657 V658 | T653-V655 PolarHBondContact O-N 2.9Å; V655-K657 PolarHBondContact O-N 3.49Å; V655-V658 PolarHBondContact O-N 3.36Å |
| 656 | Q | 50.6 | Low | 57.4 | Low | 100 Ų | 100 | 106.4 Ų | 106.4 | 47% | 0.467 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -67.8 | -19 | 177 | -66.4 | -166.1 | 12.8 | 0 | 0 | 113 | T653 T654 V658 A659 | T653-Q656 PolarHBondContact O-N 3.16Å; T654-Q656 VanDerWaalsContact C-N 3.28Å; T654-Q656 PolarHBondContact O-N 3.3Å; Q656-V658 PolarHBondContact O-N 2.91Å; Q656-A659 PolarHBondContact O-N 2.89Å |
| 657 | K | 46.6 | Very low | 55 | Low | 118 Ų | 118 | 107.4 Ų | 107.4 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -77.8 | -6.3 | -177.3 | -58.9 | 178.5 | 174.7 | 173.9 | 0 | 113 | E652 T654 V655 | E652-K657 VanDerWaalsContact OE2-CE 3.23Å; E652-K657 WeakPolarHBondContact OE2-CE 3.26Å; E652-K657 IonicContact OE2-NZ 3.85Å; E652-K657 PolarHBondContact OE2-NZ 3.21Å; T654-K657 VanDerWaalsContact O-CB 3.31Å; T654-K657 WeakPolarHBondContact O-CB 3.3Å; T654-K657 PolarHBondContact O-N 3.19Å; V655-K657 PolarHBondContact O-N 3.49Å |
| 658 | V | 43.1 | Very low | 53.3 | Low | 132 Ų | 132 | 109.6 Ų | 109.6 | 80% | 0.8 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -85.8 | -30.9 | 172.6 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | V655 Q656 | V655-V658 PolarHBondContact O-N 3.36Å; Q656-V658 PolarHBondContact O-N 2.91Å |
| 659 | A | 43.3 | Very low | 51.5 | Low | 89 Ų | 89 | 110.3 Ų | 110.3 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -89.7 | 0.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q656 | Q656-A659 PolarHBondContact O-N 2.89Š|
| 660 | R | 39.1 | Very low | 49.5 | Very low | 213 Ų | 213 | 113.3 Ų | 113.3 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -136.5 | 141.9 | 175.3 | -65.5 | -171.9 | -174.1 | 175.5 | 6.9 | 111 | K662 | R660-K662 PolarHBondContact O-N 2.99Š|
| 661 | V | 37.6 | Very low | 47.3 | Very low | 148 Ų | 148 | 112.1 Ų | 112.1 | 90% | 0.897 | 64% | 0.644 | S | S | * | * | trans | -55.3 | 131.7 | -178.7 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | A663 | V661-A663 PolarHBondContact O-N 2.61Š| ||
| 662 | K | 31.9 | Very low | 45.6 | Very low | 199 Ų | 199 | 114.8 Ų | 114.8 | 87% | 0.865 | 66% | 0.663 | S | S | * | * | trans | -56.3 | 117.2 | -165.1 | -165.1 | 168.6 | -175.6 | 172.4 | 0 | 113.5 | R660 | R660-K662 PolarHBondContact O-N 2.99Š| ||
| 663 | A | 34.2 | Very low | 44 | Very low | 89 Ų | 89 | 120.3 Ų | 120.3 | 74% | 0.736 | 68% | 0.68 | S | S | * | * | trans | -132.9 | 125.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | V661 | V661-A663 PolarHBondContact O-N 2.61Š| ||
| 664 | P | 52.1 | Low | 42.9 | Very low | 106 Ų | 106 | 124 Ų | 124 | 69% | 0.688 | 71% | 0.707 | S | S | * | * | trans | -82.2 | 164.1 | -177.5 | 33.1 | -34.9 | 0 | 0 | 0 | 112.5 | ||||
| 665 | N | 41.4 | Very low | 42.1 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 55% | 0.551 | 71% | 0.712 | S | S | * | * | trans | 88.2 | 134.3 | 172 | -54 | -36.2 | 0 | 0 | 0 | 116.6 | ||||
| 666 | K | 49.7 | Very low | 41.3 | Very low | 51 Ų | 51 | 127.8 Ų | 127.8 | 22% | 0.222 | 71% | 0.712 | C | S | . | * | cis | -166.1 | 159 | 0.1 | -103.3 | 151.5 | -158.7 | 151.7 | 0 | 110.3 | K709 E711 | K666-K709 HydrophobicContact CD-CD 3.89Å; K666-K709 HydrophobicContact CD-CG 4.39Å; K666-K709 VanDerWaalsContact CE-CD 3.47Å; K666-K709 VanDerWaalsContact CE-CG 3.48Å; K666-K709 VanDerWaalsContact NZ-CB 3.27Å; K666-E711 VanDerWaalsContact CD-OE1 3.26Å; K666-E711 WeakPolarHBondContact CD-OE1 3.34Å; K666-E711 IonicContact NZ-OE1 2.7Å; K666-E711 PolarHBondContact NZ-OE1 3Å | ||
| 667 | S | 35.1 | Very low | 40.8 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | trans | -109.4 | 164.6 | 154 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 668 | L | 47.9 | Very low | 40.8 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | trans | -143 | 158.3 | -173.5 | -86.9 | 176.4 | 0 | 0 | 0 | 107.5 | ||||
| 669 | P | 47.9 | Very low | 40.5 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | -140.9 | 141.4 | 51.4 | 45 | -27.6 | 0 | 0 | 0 | 114.9 | |||||
| 670 | S | 38 | Very low | 40.5 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | 99.1 | 114.9 | 79.6 | 79.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 671 | A | 37.5 | Very low | 40.6 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -144.1 | 147.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 672 | V | 43.8 | Very low | 40.5 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | trans | -111.3 | 118.1 | -170.3 | 177.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 673 | Y | 33.5 | Very low | 41.3 | Very low | 231 Ų | 231 | 127 Ų | 127 | 91% | 0.906 | 72% | 0.723 | S | S | * | * | trans | -133.3 | 114.7 | 155.4 | -81.7 | -82.1 | 0 | 0 | 0 | 108.8 | ||||
| 674 | C | 38.3 | Very low | 41.9 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | -97.6 | 120.5 | 170 | -60.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 675 | I | 38.5 | Very low | 41.5 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 82% | 0.821 | 73% | 0.725 | S | S | * | * | trans | -80.9 | 126.1 | 167.5 | -63 | 174.9 | 0 | 0 | 0 | 107 | D677 | I675-D677 PolarHBondContact O-N 3.08Š| ||
| 676 | E | 36.8 | Very low | 41.9 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 66% | 0.659 | 72% | 0.719 | S | S | * | * | trans | -80.2 | 114.7 | 176.8 | -65.7 | -167.8 | 158.2 | 0 | 0 | 110.5 | K678 | E676-K678 PolarHBondContact O-N 3.15Å; E676-K678 WeakPolarHBondContact OE2-CE 3.43Å; E676-K678 IonicContact OE2-NZ 2.71Å; E676-K678 PolarHBondContact OE2-NZ 3.48Å | ||
| 677 | D | 40.9 | Very low | 41.7 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -65.3 | 95.8 | 172.4 | -79.9 | -36.1 | 0 | 0 | 0 | 111.3 | I675 | I675-D677 PolarHBondContact O-N 3.08Š| ||
| 678 | K | 46.1 | Very low | 42.1 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | -116.4 | 63.1 | 170.5 | -75.1 | -178.8 | 176.7 | 143.9 | 0 | 111.8 | E676 | E676-K678 PolarHBondContact O-N 3.15Å; E676-K678 WeakPolarHBondContact OE2-CE 3.43Å; E676-K678 IonicContact OE2-NZ 2.71Å; E676-K678 PolarHBondContact OE2-NZ 3.48Å | ||
| 679 | M | 35.9 | Very low | 41.9 | Very low | 165 Ų | 165 | 147.7 Ų | 147.7 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -118.8 | 84.3 | 165.8 | -64.4 | -154.4 | 79.2 | 0 | 0 | 111.1 | ||||
| 680 | A | 45.1 | Very low | 41.9 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 88% | 0.876 | 75% | 0.748 | S | S | * | * | trans | -98.3 | 68.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 681 | I | 39.6 | Very low | 42.2 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | trans | -126.1 | 110.7 | -178.5 | -61.3 | -176.8 | 0 | 0 | 0 | 110.9 | ||||
| 682 | D | 36.3 | Very low | 42.3 | Very low | 89 Ų | 89 | 159.6 Ų | 159.6 | 48% | 0.476 | 75% | 0.754 | S | S | . | * | trans | 32.4 | 89.7 | 169.1 | -149.8 | 37.8 | 0 | 0 | 0 | 119.8 | K684 | D682-K684 PolarHBondContact O-N 3.25Å; D682-K684 WeakPolarHBondContact OD1-CD 3.27Å; D682-K684 VanDerWaalsContact OD1-CE 3.32Å; D682-K684 WeakPolarHBondContact OD1-CE 3.46Å; D682-K684 IonicContact OD1-NZ 2.68Å; D682-K684 PolarHBondContact OD1-NZ 2.82Å | ||
| 683 | D | 49.5 | Very low | 42.1 | Very low | 150 Ų | 150 | 156.9 Ų | 156.9 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 39.6 | 173.5 | -170.4 | 28.7 | 0 | 0 | 0 | 114.5 | ||
| 684 | K | 45.7 | Very low | 42.7 | Very low | 158 Ų | 158 | 154.5 Ų | 154.5 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -24.9 | -174.1 | -66.7 | -177.5 | -161.8 | 126.6 | 0 | 115.1 | D682 | D682-K684 PolarHBondContact O-N 3.25Å; D682-K684 WeakPolarHBondContact OD1-CD 3.27Å; D682-K684 VanDerWaalsContact OD1-CE 3.32Å; D682-K684 WeakPolarHBondContact OD1-CE 3.46Å; D682-K684 IonicContact OD1-NZ 2.68Å; D682-K684 PolarHBondContact OD1-NZ 2.82Å |
| 685 | Y | 44.4 | Very low | 43 | Very low | 202 Ų | 202 | 155 Ų | 155 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -98.7 | -21.1 | -178.8 | -84.2 | -84.5 | 0 | 0 | 0 | 115 | R687 | Y685-R687 PolarHBondContact O-N 2.81Š|
| 686 | S | 48.7 | Very low | 43.9 | Very low | 61 Ų | 61 | 154.1 Ų | 154.1 | 43% | 0.427 | 74% | 0.737 | S | S | . | * | G | 310 helix | trans | -48.8 | -38.5 | -174.5 | -174.1 | 0 | 0 | 0 | 0 | 115.1 | R688 E689 E690 | S686-R688 PolarHBondContact O-N 3.26Å; S686-E689 PolarHBondContact O-N 3.49Å; S686-E690 WeakPolarHBondContact CB-OE1 3.35Å; S686-E690 PolarHBondContact OG-OE1 2.99Å |
| 687 | R | 46.7 | Very low | 44.5 | Very low | 219 Ų | 219 | 152.5 Ų | 152.5 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -73.1 | 21.8 | -158.7 | -135.3 | -170.5 | -56.2 | 163.1 | 5.2 | 116.7 | Y685 | Y685-R687 PolarHBondContact O-N 2.81Š|
| 688 | R | 43.3 | Very low | 45.2 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -133.7 | -14.6 | 174.5 | -174.8 | 147 | -75.5 | -136.7 | -5.9 | 114.7 | S686 | S686-R688 PolarHBondContact O-N 3.26Š|
| 689 | E | 43.8 | Very low | 46 | Very low | 158 Ų | 158 | 148.9 Ų | 148.9 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -7.1 | -175.4 | -64.1 | -174 | 151.1 | 0 | 0 | 114.4 | S686 Y691 R692 | S686-E689 PolarHBondContact O-N 3.49Å; E689-Y691 PolarHBondContact O-N 2.94Å; E689-R692 PolarHBondContact O-N 3.1Å |
| 690 | E | 47.8 | Very low | 47.3 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 63% | 0.626 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 8.7 | -176.6 | -71.4 | 164.5 | -152.1 | 0 | 0 | 117 | S686 | S686-E690 WeakPolarHBondContact CB-OE1 3.35Å; S686-E690 PolarHBondContact OG-OE1 2.99Å |
| 691 | Y | 43.7 | Very low | 48.5 | Very low | 216 Ų | 216 | 150 Ų | 150 | 85% | 0.847 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | 0.5 | 173.8 | -134.8 | -95.5 | 0 | 0 | 0 | 115 | E689 | E689-Y691 PolarHBondContact O-N 2.94Š|
| 692 | R | 40.4 | Very low | 49.8 | Very low | 221 Ų | 221 | 151 Ų | 151 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -132.4 | 84.1 | 168.3 | -73.3 | -65.8 | -172 | -130.2 | 5.4 | 108.6 | E689 | E689-R692 PolarHBondContact O-N 3.1Š|
| 693 | G | 39.8 | Very low | 51.7 | Low | 62 Ų | 62 | 150.7 Ų | 150.7 | 64% | 0.639 | 72% | 0.717 | S | S | * | * | trans | -59.3 | 147.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T695 | G693-T695 VanDerWaalsContact C-N 3.27Å; G693-T695 PolarHBondContact O-N 2.99Å | ||
| 694 | F | 44.8 | Very low | 53.2 | Low | 181 Ų | 181 | 149.9 Ų | 149.9 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | trans | -67.7 | 80.7 | -179.9 | -175.2 | -99.4 | 0 | 0 | 0 | 111.1 | Q696 | F694-Q696 VanDerWaalsContact C-N 3.3Å; F694-Q696 HydrophobicContact CD1-CB 4.23Å; F694-Q696 HydrophobicContact CE1-CB 3.68Å; F694-Q696 HydrophobicContact CZ-CB 3.93Å; F694-Q696 PolarHBondContact O-N 2.94Å | ||
| 695 | T | 45.8 | Very low | 54.9 | Low | 123 Ų | 123 | 151.9 Ų | 151.9 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | -87.7 | 72.3 | 169.9 | 55.9 | 0 | 0 | 0 | 0 | 109 | G693 D697 | G693-T695 VanDerWaalsContact C-N 3.27Å; G693-T695 PolarHBondContact O-N 2.99Å; T695-D697 PolarHBondContact O-N 2.91Å | ||
| 696 | Q | 57.4 | Low | 56.8 | Low | 142 Ų | 142 | 145.4 Ų | 145.4 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | trans | -72.7 | 117.1 | 159 | -174.9 | 169.3 | 2.6 | 0 | 0 | 106.9 | F694 F698 | F694-Q696 VanDerWaalsContact C-N 3.3Å; F694-Q696 HydrophobicContact CD1-CB 4.23Å; F694-Q696 HydrophobicContact CE1-CB 3.68Å; F694-Q696 HydrophobicContact CZ-CB 3.93Å; F694-Q696 PolarHBondContact O-N 2.94Å; Q696-F698 PolarHBondContact O-N 2.53Å | ||
| 697 | D | 49.8 | Very low | 58.4 | Low | 107 Ų | 107 | 147.6 Ų | 147.6 | 57% | 0.572 | 70% | 0.702 | S | S | * | * | trans | -62.7 | 133.5 | -177.8 | -66.4 | -37.4 | 0 | 0 | 0 | 110.3 | T695 K699 | T695-D697 PolarHBondContact O-N 2.91Å; D697-K699 HydrophobicContact CB-CD 4.08Å; D697-K699 HydrophobicContact CB-CG 3.86Å; D697-K699 PolarHBondContact O-N 3.37Å | ||
| 698 | F | 54.4 | Low | 60.3 | Low | 135 Ų | 135 | 142.1 Ų | 142.1 | 59% | 0.592 | 69% | 0.693 | S | S | * | * | trans | -78.5 | 55.9 | -175.6 | -161.7 | -94.1 | 0 | 0 | 0 | 111.4 | Q696 K701 Y704 | Q696-F698 PolarHBondContact O-N 2.53Å; F698-K701 HydrophobicContact CE1-CB 4.04Å; F698-K701 HydrophobicContact CE1-CD 4.09Å; F698-K701 HydrophobicContact CE1-CG 4.25Å; F698-K701 HydrophobicContact CZ-CD 4.21Å; F698-Y704 HydrophobicContact CD1-CD1 4.02Å; F698-Y704 AromaticContact CE1-CD1 3.32Å; F698-Y704 HydrophobicContact CE1-CD1 3.32Å; F698-Y704 AromaticContact CE1-CE1 3.85Å; F698-Y704 HydrophobicContact CE1-CE1 3.85Å; F698-Y704 HydrophobicContact CE1-CG 4.06Å; F698-Y704 HydrophobicContact CZ-CD1 4.04Å; F698-Y704 HydrophobicContact CZ-CE1 4.15Å | ||
| 699 | K | 63.5 | Low | 62.4 | Low | 121 Ų | 121 | 135.5 Ų | 135.5 | 53% | 0.526 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -5.5 | -173.5 | -69.3 | 179.9 | 174.8 | -177 | 0 | 114.3 | D278 D697 K701 | D278-K699 IonicContact OD2-NZ 3.99Å; D278-K699 PolarHBondContact OD2-NZ 2.75Å; D697-K699 HydrophobicContact CB-CD 4.08Å; D697-K699 HydrophobicContact CB-CG 3.86Å; D697-K699 PolarHBondContact O-N 3.37Å; K699-K701 VanDerWaalsContact C-N 3.27Å; K699-K701 PolarHBondContact O-N 3.35Å |
| 700 | E | 62.4 | Low | 64.5 | Low | 173 Ų | 173 | 133.8 Ų | 133.8 | 81% | 0.808 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -1.6 | -177.8 | -65.1 | -173.5 | 156.1 | 0 | 0 | 114.9 | ||
| 701 | K | 70.1 | Confident | 66.5 | Low | 120 Ų | 120 | 130.9 Ų | 130.9 | 52% | 0.522 | 65% | 0.652 | S | S | . | * | trans | -147.2 | 76.7 | -174.7 | -60.4 | -171 | -178.3 | -175.1 | 0 | 113.5 | F698 K699 G703 Y704 | F698-K701 HydrophobicContact CE1-CB 4.04Å; F698-K701 HydrophobicContact CE1-CD 4.09Å; F698-K701 HydrophobicContact CE1-CG 4.25Å; F698-K701 HydrophobicContact CZ-CD 4.21Å; K699-K701 VanDerWaalsContact C-N 3.27Å; K699-K701 PolarHBondContact O-N 3.35Å; K701-G703 PolarHBondContact O-N 3.37Å; K701-G703 VanDerWaalsContact O-N 3.12Å; K701-Y704 WeakPolarHBondContact O-CB 3.37Å; K701-Y704 PolarHBondContact O-N 2.95Å | ||
| 702 | D | 68.3 | Low | 68.8 | Low | 164 Ų | 164 | 127.3 Ų | 127.3 | 88% | 0.877 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -20.9 | 176 | -56.2 | -64.6 | 0 | 0 | 0 | 114 | ||
| 703 | G | 74.6 | Confident | 71.2 | Confident | 82 Ų | 82 | 120.1 Ų | 120.1 | 85% | 0.845 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | K701 K705 | K701-G703 PolarHBondContact O-N 3.37Å; K701-G703 VanDerWaalsContact O-N 3.12Å; G703-K705 PolarHBondContact O-N 3.38Å |
| 704 | Y | 81.8 | Confident | 73.5 | Confident | 134 Ų | 134 | 118.4 Ų | 118.4 | 53% | 0.525 | 59% | 0.594 | S | S | . | * | trans | -88.7 | 109.1 | -179.1 | -176.6 | -110.4 | 0 | 0 | 0 | 110.6 | F698 K701 P706 | F698-Y704 HydrophobicContact CD1-CD1 4.02Å; F698-Y704 AromaticContact CE1-CD1 3.32Å; F698-Y704 HydrophobicContact CE1-CD1 3.32Å; F698-Y704 AromaticContact CE1-CE1 3.85Å; F698-Y704 HydrophobicContact CE1-CE1 3.85Å; F698-Y704 HydrophobicContact CE1-CG 4.06Å; F698-Y704 HydrophobicContact CZ-CD1 4.04Å; F698-Y704 HydrophobicContact CZ-CE1 4.15Å; K701-Y704 WeakPolarHBondContact O-CB 3.37Å; K701-Y704 PolarHBondContact O-N 2.95Å; Y704-P706 HydrophobicContact CD1-CB 4.24Å; Y704-P706 HydrophobicContact CD1-CG 4.18Å; Y704-P706 HydrophobicContact CE1-CB 3.66Å; Y704-P706 HydrophobicContact CE1-CG 4.04Å; Y704-P706 WeakPolarHBondContact O-CD 3.44Å | ||
| 705 | K | 81.3 | Confident | 75.6 | Confident | 200 Ų | 200 | 118.3 Ų | 118.3 | 87% | 0.87 | 60% | 0.596 | S | S | * | * | trans | -102.6 | 85.2 | 178 | -164.6 | 166.6 | -169 | 163.5 | 0 | 110.4 | G703 D707 | G703-K705 PolarHBondContact O-N 3.38Å; K705-D707 PolarHBondContact O-N 3Å; K705-D707 VanDerWaalsContact O-N 3.16Å | ||
| 706 | P | 83.8 | Confident | 77.5 | Confident | 66 Ų | 66 | 118 Ų | 118 | 43% | 0.429 | 59% | 0.594 | S | S | . | * | trans | -66.9 | 116.9 | -178.6 | 27.1 | -34.1 | 0 | 0 | 0 | 110.6 | Y704 V708 | Y704-P706 HydrophobicContact CD1-CB 4.24Å; Y704-P706 HydrophobicContact CD1-CG 4.18Å; Y704-P706 HydrophobicContact CE1-CB 3.66Å; Y704-P706 HydrophobicContact CE1-CG 4.04Å; Y704-P706 WeakPolarHBondContact O-CD 3.44Å; P706-V708 HydrophobicContact CB-CG2 3.83Å; P706-V708 HydrophobicContact CG-CG2 4.11Å; P706-V708 PolarHBondContact O-N 3.06Å | ||
| 707 | D | 82.9 | Confident | 78.8 | Confident | 107 Ų | 107 | 113.6 Ų | 113.6 | 57% | 0.572 | 59% | 0.587 | S | S | * | * | trans | -72.9 | 81.7 | 166.1 | -177.8 | -7.1 | 0 | 0 | 0 | 108.1 | K705 K709 | K705-D707 PolarHBondContact O-N 3Å; K705-D707 VanDerWaalsContact O-N 3.16Å; D707-K709 VanDerWaalsContact O-CG 3.28Å; D707-K709 WeakPolarHBondContact O-CG 3.37Å; D707-K709 PolarHBondContact O-N 2.93Å; D707-K709 VanDerWaalsContact O-N 3.15Å; D707-K709 WeakPolarHBondContact OD1-CE 3.3Å; D707-K709 IonicContact OD1-NZ 3.77Å; D707-K709 WeakPolarHBondContact OD2-CE 3.36Å; D707-K709 IonicContact OD2-NZ 3.66Å; D707-K709 PolarHBondContact OD2-NZ 3.49Å | ||
| 708 | V | 86.1 | Confident | 80.6 | Confident | 104 Ų | 104 | 112.7 Ų | 112.7 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | trans | -74.3 | 102.2 | -172.8 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | P706 I710 | P706-V708 HydrophobicContact CB-CG2 3.83Å; P706-V708 HydrophobicContact CG-CG2 4.11Å; P706-V708 PolarHBondContact O-N 3.06Å; V708-I710 HydrophobicContact CG1-CG1 4.14Å; V708-I710 PolarHBondContact O-N 2.91Å; V708-I710 VanDerWaalsContact O-N 3.13Å | ||
| 709 | K | 87.2 | Confident | 82.2 | Confident | 95 Ų | 95 | 112 Ų | 112 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | trans | -89.3 | 72.7 | -172.8 | -57.1 | -166 | 172.2 | 169.2 | 0 | 112.7 | K666 D707 E711 | K666-K709 HydrophobicContact CD-CD 3.89Å; K666-K709 HydrophobicContact CD-CG 4.39Å; K666-K709 VanDerWaalsContact CE-CD 3.47Å; K666-K709 VanDerWaalsContact CE-CG 3.48Å; K666-K709 VanDerWaalsContact NZ-CB 3.27Å; D707-K709 VanDerWaalsContact O-CG 3.28Å; D707-K709 WeakPolarHBondContact O-CG 3.37Å; D707-K709 PolarHBondContact O-N 2.93Å; D707-K709 VanDerWaalsContact O-N 3.15Å; D707-K709 WeakPolarHBondContact OD1-CE 3.3Å; D707-K709 IonicContact OD1-NZ 3.77Å; D707-K709 WeakPolarHBondContact OD2-CE 3.36Å; D707-K709 IonicContact OD2-NZ 3.66Å; D707-K709 PolarHBondContact OD2-NZ 3.49Å; K709-E711 PolarHBondContact O-N 3.35Å | ||
| 710 | I | 88.3 | Confident | 83.5 | Confident | 123 Ų | 123 | 107.5 Ų | 107.5 | 63% | 0.631 | 55% | 0.554 | S | S | * | * | trans | -62.5 | 103.3 | 172.2 | -52.4 | -179.3 | 0 | 0 | 0 | 109.7 | V708 Y712 | V708-I710 HydrophobicContact CG1-CG1 4.14Å; V708-I710 PolarHBondContact O-N 2.91Å; V708-I710 VanDerWaalsContact O-N 3.13Å; I710-Y712 HydrophobicContact CG2-CE2 4.5Å | ||
| 711 | E | 89.8 | Confident | 84.8 | Confident | 73 Ų | 73 | 102.3 Ų | 102.3 | 34% | 0.341 | 54% | 0.535 | S | S | . | . | trans | -137.4 | 114.7 | -178.1 | -72.6 | 178.7 | -156.9 | 0 | 0 | 110.8 | K666 K709 V713 K719 | K666-E711 VanDerWaalsContact CD-OE1 3.26Å; K666-E711 WeakPolarHBondContact CD-OE1 3.34Å; K666-E711 IonicContact NZ-OE1 2.7Å; K666-E711 PolarHBondContact NZ-OE1 3Å; K709-E711 PolarHBondContact O-N 3.35Å; E711-V713 PolarHBondContact O-N 2.94Å; E711-K719 HydrophobicContact CB-CD 4.33Å; E711-K719 WeakPolarHBondContact OE2-CD 3.16Å; E711-K719 VanDerWaalsContact OE2-CE 3.27Å; E711-K719 WeakPolarHBondContact OE2-CE 3.4Å; E711-K719 IonicContact OE2-NZ 3.72Å; E711-K719 PolarHBondContact OE2-NZ 3.25Å | ||
| 712 | Y | 91.9 | Very high | 85.8 | Confident | 140 Ų | 140 | 101.6 Ų | 101.6 | 55% | 0.549 | 54% | 0.542 | S | S | . | . | trans | -76.4 | 125.9 | 175.5 | -53.4 | -70.4 | 0 | 0 | 0 | 110.4 | I710 K719 L720 A725 | I710-Y712 HydrophobicContact CG2-CE2 4.5Å; Y712-K719 WeakPolarHBondContact O-CA 3.34Å; Y712-L720 PolarHBondContact O-N 2.82Å; Y712-A725 VanDerWaalsContact CB-CB 3.48Å; Y712-A725 HydrophobicContact CD1-CB 4.04Å; Y712-A725 HydrophobicContact CD2-CB 3.65Å; Y712-A725 HydrophobicContact CE2-CB 4.43Å; Y712-A725 HydrophobicContact CG-CB 3.43Å; Y712-A725 VanDerWaalsContact CG-CB 3.43Å | ||
| 713 | V | 92.1 | Very high | 86.9 | Confident | 70 Ų | 70 | 101.2 Ų | 101.2 | 42% | 0.424 | 53% | 0.533 | S | S | . | . | B | Isolated β-bridge | trans | -122 | 155.1 | 176.4 | -72.1 | 0 | 0 | 0 | 0 | 110.7 | E711 R718 K719 | E711-V713 PolarHBondContact O-N 2.94Å; V713-R718 WeakPolarHBondContact CA-O 3.47Å; V713-K719 HydrophobicContact CG1-CD 3.79Å |
| 714 | D | 88.1 | Confident | 87.6 | Confident | 26 Ų | 26 | 99.1 Ų | 99.1 | 14% | 0.139 | 50% | 0.501 | C | S | . | . | trans | -95.7 | 177.9 | 164.8 | 62.3 | 31.6 | 0 | 0 | 0 | 112.2 | T716 G717 R718 L720 | D714-T716 PolarHBondContact O-N 3.39Å; D714-T716 WeakPolarHBondContact OD1-CA 3.46Å; D714-T716 WeakPolarHBondContact OD1-CB 3.33Å; D714-T716 PolarHBondContact OD1-N 2.73Å; D714-T716 PolarHBondContact OD1-OG1 3.27Å; D714-G717 PolarHBondContact O-N 2.73Å; D714-G717 PolarHBondContact OD1-N 2.87Å; D714-R718 PolarHBondContact N-O 2.86Å; D714-R718 VanDerWaalsContact N-O 3.16Å; D714-R718 PolarHBondContact OD1-N 2.91Å; D714-L720 HydrophobicContact CB-CD1 3.6Å; D714-L720 HydrophobicContact CB-CD2 4.5Å; D714-L720 VanDerWaalsContact OD2-CD1 3.3Å; D714-L720 WeakPolarHBondContact OD2-CD1 3.44Å | ||
| 715 | E | 88 | Confident | 88.1 | Confident | 179 Ų | 179 | 93.2 Ų | 93.2 | 84% | 0.836 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -9.2 | 176.8 | -65.6 | 157.9 | -159 | 0 | 0 | 113.4 | ||
| 716 | T | 85.5 | Confident | 88.6 | Confident | 117 Ų | 117 | 90.7 Ų | 90.7 | 72% | 0.718 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 5.6 | 174.7 | 73 | 0 | 0 | 0 | 0 | 113.4 | D714 R718 | D714-T716 PolarHBondContact O-N 3.39Å; D714-T716 WeakPolarHBondContact OD1-CA 3.46Å; D714-T716 WeakPolarHBondContact OD1-CB 3.33Å; D714-T716 PolarHBondContact OD1-N 2.73Å; D714-T716 PolarHBondContact OD1-OG1 3.27Å; T716-R718 PolarHBondContact O-N 3.41Å |
| 717 | G | 84.9 | Confident | 89 | Confident | 50 Ų | 50 | 91 Ų | 91 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | trans | 74.8 | 2.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | D714 K719 | D714-G717 PolarHBondContact O-N 2.73Å; D714-G717 PolarHBondContact OD1-N 2.87Å; G717-K719 PolarHBondContact O-N 3.41Å | ||
| 718 | R | 87.5 | Confident | 89.4 | Confident | 87 Ų | 87 | 88.9 Ų | 88.9 | 33% | 0.328 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 131 | 177.1 | 169.9 | -178.8 | 172.7 | 145.2 | -3.7 | 109.6 | V713 D714 T716 L720 L750 E753 | V713-R718 WeakPolarHBondContact CA-O 3.47Å; D714-R718 PolarHBondContact N-O 2.86Å; D714-R718 VanDerWaalsContact N-O 3.16Å; D714-R718 PolarHBondContact OD1-N 2.91Å; T716-R718 PolarHBondContact O-N 3.41Å; R718-L720 WeakPolarHBondContact O-CD1 3.4Å; R718-L720 PolarHBondContact O-N 2.85Å; R718-L750 VanDerWaalsContact NH1-CD2 3.29Å; R718-E753 IonicContact CZ-OE2 3.2Å; R718-E753 IonicContact NH1-OE2 2.73Å; R718-E753 PolarHBondContact NH1-OE2 3.01Å; R718-E753 IonicContact NH2-OE2 2.73Å; R718-E753 PolarHBondContact NH2-OE2 2.94Å |
| 719 | K | 89.3 | Confident | 89.7 | Confident | 122 Ų | 122 | 89.4 Ų | 89.4 | 53% | 0.53 | 45% | 0.447 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 125.3 | 172 | -54 | -67.5 | 160.2 | 175.8 | 0 | 109.4 | E711 Y712 V713 G717 | E711-K719 HydrophobicContact CB-CD 4.33Å; E711-K719 WeakPolarHBondContact OE2-CD 3.16Å; E711-K719 VanDerWaalsContact OE2-CE 3.27Å; E711-K719 WeakPolarHBondContact OE2-CE 3.4Å; E711-K719 IonicContact OE2-NZ 3.72Å; E711-K719 PolarHBondContact OE2-NZ 3.25Å; Y712-K719 WeakPolarHBondContact O-CA 3.34Å; V713-K719 HydrophobicContact CG1-CD 3.79Å; G717-K719 PolarHBondContact O-N 3.41Å |
| 720 | L | 89.6 | Confident | 89.9 | Confident | 25 Ų | 25 | 86.2 Ų | 86.2 | 13% | 0.131 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 146.6 | -173.6 | -108.9 | 62.6 | 0 | 0 | 0 | 112.7 | Y712 D714 R718 E724 A725 Q728 | Y712-L720 PolarHBondContact O-N 2.82Å; D714-L720 HydrophobicContact CB-CD1 3.6Å; D714-L720 HydrophobicContact CB-CD2 4.5Å; D714-L720 VanDerWaalsContact OD2-CD1 3.3Å; D714-L720 WeakPolarHBondContact OD2-CD1 3.44Å; R718-L720 WeakPolarHBondContact O-CD1 3.4Å; R718-L720 PolarHBondContact O-N 2.85Å; L720-E724 HydrophobicContact CD2-CB 3.97Å; L720-E724 HydrophobicContact CG-CB 3.95Å; L720-A725 HydrophobicContact CB-CB 4.35Å; L720-Q728 HydrophobicContact CD2-CG 4.19Å |
| 721 | T | 90.7 | Very high | 90.1 | Very high | 65 Ų | 65 | 82.5 Ų | 82.5 | 40% | 0.399 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 147.3 | 165.2 | 69.6 | 0 | 0 | 0 | 0 | 109.2 | K723 E724 A725 | T721-K723 PolarHBondContact O-N 3.29Å; T721-K723 VanDerWaalsContact O-N 3.11Å; T721-E724 WeakPolarHBondContact CG2-OE2 3.39Å; T721-E724 WeakPolarHBondContact O-CA 3.28Å; T721-E724 PolarHBondContact O-N 3.4Å; T721-E724 WeakPolarHBondContact OG1-CB 3.41Å; T721-E724 WeakPolarHBondContact OG1-CG 3.42Å; T721-E724 PolarHBondContact OG1-N 2.95Å; T721-E724 PolarHBondContact OG1-OE2 3.26Å; T721-A725 PolarHBondContact O-N 3.4Å |
| 722 | P | 89.9 | Confident | 90.2 | Very high | 104 Ų | 104 | 88.4 Ų | 88.4 | 68% | 0.675 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -58.8 | -30.4 | -179.1 | 20.9 | -32.7 | 0 | 0 | 0 | 112.5 | E724 F726 | P722-E724 VanDerWaalsContact C-N 3.27Å; P722-E724 PolarHBondContact O-N 2.73Å; P722-F726 VanDerWaalsContact O-CB 3.3Å; P722-F726 WeakPolarHBondContact O-CB 3.46Å; P722-F726 PolarHBondContact O-N 3.01Å |
| 723 | K | 91.1 | Very high | 90.3 | Very high | 157 Ų | 157 | 89.9 Ų | 89.9 | 68% | 0.683 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68.2 | -21.5 | 174 | -172.7 | 171.7 | -174.6 | 169.8 | 0 | 113.9 | T721 R727 | T721-K723 PolarHBondContact O-N 3.29Å; T721-K723 VanDerWaalsContact O-N 3.11Å; K723-R727 WeakPolarHBondContact O-CB 3.47Å |
| 724 | E | 89.1 | Confident | 90.2 | Very high | 38 Ų | 38 | 92.2 Ų | 92.2 | 18% | 0.178 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -96.1 | -37.3 | 176.1 | -75.8 | 166 | 146.7 | 0 | 0 | 111.7 | L720 T721 P722 R727 Q728 | L720-E724 HydrophobicContact CD2-CB 3.97Å; L720-E724 HydrophobicContact CG-CB 3.95Å; T721-E724 WeakPolarHBondContact CG2-OE2 3.39Å; T721-E724 WeakPolarHBondContact O-CA 3.28Å; T721-E724 PolarHBondContact O-N 3.4Å; T721-E724 WeakPolarHBondContact OG1-CB 3.41Å; T721-E724 WeakPolarHBondContact OG1-CG 3.42Å; T721-E724 PolarHBondContact OG1-N 2.95Å; T721-E724 PolarHBondContact OG1-OE2 3.26Å; P722-E724 VanDerWaalsContact C-N 3.27Å; P722-E724 PolarHBondContact O-N 2.73Å; E724-R727 WeakPolarHBondContact O-CB 3.46Å; E724-R727 PolarHBondContact O-N 3.25Å; E724-R727 VanDerWaalsContact O-N 3.14Å; E724-R727 IonicContact OE1-NH1 2.75Å; E724-Q728 PolarHBondContact O-N 2.87Å |
| 725 | A | 92.4 | Very high | 90.4 | Very high | 9 Ų | 9 | 94.2 Ų | 94.2 | 7% | 0.074 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -58.7 | -53.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y712 L720 T721 R727 Q728 L729 | Y712-A725 VanDerWaalsContact CB-CB 3.48Å; Y712-A725 HydrophobicContact CD1-CB 4.04Å; Y712-A725 HydrophobicContact CD2-CB 3.65Å; Y712-A725 HydrophobicContact CE2-CB 4.43Å; Y712-A725 HydrophobicContact CG-CB 3.43Å; Y712-A725 VanDerWaalsContact CG-CB 3.43Å; L720-A725 HydrophobicContact CB-CB 4.35Å; T721-A725 PolarHBondContact O-N 3.4Å; A725-R727 PolarHBondContact O-N 2.81Å; A725-Q728 PolarHBondContact O-N 3.12Å; A725-Q728 VanDerWaalsContact O-N 3.13Å; A725-L729 WeakPolarHBondContact O-CB 3.5Å; A725-L729 PolarHBondContact O-N 3.32Å |
| 726 | F | 92.6 | Very high | 90.6 | Very high | 148 Ų | 148 | 93.6 Ų | 93.6 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -57 | -33.8 | 173.7 | -179.8 | -96.3 | 0 | 0 | 0 | 112.2 | P722 S730 | P722-F726 VanDerWaalsContact O-CB 3.3Å; P722-F726 WeakPolarHBondContact O-CB 3.46Å; P722-F726 PolarHBondContact O-N 3.01Å; F726-S730 VanDerWaalsContact O-CB 3.32Å; F726-S730 WeakPolarHBondContact O-CB 3.49Å; F726-S730 PolarHBondContact O-N 3.09Å; F726-S730 PolarHBondContact O-OG 3.16Å |
| 727 | R | 91.9 | Very high | 90.8 | Very high | 72 Ų | 72 | 91 Ų | 91 | 27% | 0.272 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.5 | -41.6 | 178 | -167 | -171.4 | -60 | 131.8 | 5.5 | 112.1 | K723 E724 A725 S730 H731 | K723-R727 WeakPolarHBondContact O-CB 3.47Å; E724-R727 WeakPolarHBondContact O-CB 3.46Å; E724-R727 PolarHBondContact O-N 3.25Å; E724-R727 VanDerWaalsContact O-N 3.14Å; E724-R727 IonicContact OE1-NH1 2.75Å; A725-R727 PolarHBondContact O-N 2.81Å; R727-S730 WeakPolarHBondContact CA-OG 3.4Å; R727-S730 PolarHBondContact O-N 2.86Å; R727-S730 PolarHBondContact O-OG 3.34Å; R727-H731 VanDerWaalsContact O-CG 3.24Å; R727-H731 PolarHBondContact O-N 3.39Å; R727-H731 PolarHBondContact O-ND1 2.98Å |
| 728 | Q | 91.2 | Very high | 91.1 | Very high | 62 Ų | 62 | 90.1 Ų | 90.1 | 29% | 0.29 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 172.1 | -79.6 | -179.2 | -19.7 | 0 | 0 | 110.7 | L720 E724 A725 S730 H731 R732 | L720-Q728 HydrophobicContact CD2-CG 4.19Å; E724-Q728 PolarHBondContact O-N 2.87Å; A725-Q728 PolarHBondContact O-N 3.12Å; A725-Q728 VanDerWaalsContact O-N 3.13Å; Q728-S730 VanDerWaalsContact C-N 3.35Å; Q728-S730 PolarHBondContact O-N 3.26Å; Q728-H731 PolarHBondContact O-N 2.82Å; Q728-H731 VanDerWaalsContact O-N 3.15Å; Q728-R732 PolarHBondContact O-N 3.02Å |
| 729 | L | 92.2 | Very high | 91.3 | Very high | 115 Ų | 115 | 88.4 Ų | 88.4 | 60% | 0.602 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -56.2 | -46.8 | 175.2 | -174.4 | 62.4 | 0 | 0 | 0 | 111.4 | A725 H731 R732 F733 | A725-L729 WeakPolarHBondContact O-CB 3.5Å; A725-L729 PolarHBondContact O-N 3.32Å; L729-H731 PolarHBondContact O-N 3.43Å; L729-R732 PolarHBondContact O-N 3.27Å; L729-F733 VanDerWaalsContact O-CB 3.3Å; L729-F733 WeakPolarHBondContact O-CB 3.24Å; L729-F733 PolarHBondContact O-N 2.95Å |
| 730 | S | 91.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 90 Ų | 90 | 20% | 0.203 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 177.2 | 75.2 | 0 | 0 | 0 | 0 | 113.7 | F726 R727 Q728 H734 | F726-S730 VanDerWaalsContact O-CB 3.32Å; F726-S730 WeakPolarHBondContact O-CB 3.49Å; F726-S730 PolarHBondContact O-N 3.09Å; F726-S730 PolarHBondContact O-OG 3.16Å; R727-S730 WeakPolarHBondContact CA-OG 3.4Å; R727-S730 PolarHBondContact O-N 2.86Å; R727-S730 PolarHBondContact O-OG 3.34Å; Q728-S730 VanDerWaalsContact C-N 3.35Å; Q728-S730 PolarHBondContact O-N 3.26Å; S730-H734 WeakPolarHBondContact O-CB 3.27Å; S730-H734 PolarHBondContact O-CD2 2.87Å; S730-H734 VanDerWaalsContact O-CD2 3.25Å; S730-H734 PolarHBondContact O-N 2.92Å |
| 731 | H | 91.9 | Very high | 91.5 | Very high | 44 Ų | 44 | 94.1 Ų | 94.1 | 20% | 0.204 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 175.8 | -68.9 | 159.9 | 0 | 0 | 0 | 111.2 | R727 Q728 L729 G735 K736 S738 | R727-H731 VanDerWaalsContact O-CG 3.24Å; R727-H731 PolarHBondContact O-N 3.39Å; R727-H731 PolarHBondContact O-ND1 2.98Å; Q728-H731 PolarHBondContact O-N 2.82Å; Q728-H731 VanDerWaalsContact O-N 3.15Å; L729-H731 PolarHBondContact O-N 3.43Å; H731-G735 CarbonylContact O-C 3.59Å; H731-G735 WeakPolarHBondContact O-CA 3.44Å; H731-G735 PolarHBondContact O-N 2.82Å; H731-G735 VanDerWaalsContact O-N 3.16Å; H731-K736 PolarHBondContact CD2-O 3.04Å; H731-K736 PolarHBondContact O-N 2.96Å; H731-K736 VanDerWaalsContact O-N 3.14Å; H731-S738 PolarHBondContact CE1-OG 3.49Å; H731-S738 PolarHBondContact NE2-N 2.95Å; H731-S738 PolarHBondContact NE2-OG 3.13Å |
| 732 | R | 92.6 | Very high | 91.5 | Very high | 198 Ų | 198 | 98.1 Ų | 98.1 | 75% | 0.747 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.8 | -53 | 174.4 | -70.8 | -77.1 | -177.9 | 150 | -1.9 | 110 | Q728 L729 H734 G735 | Q728-R732 PolarHBondContact O-N 3.02Å; L729-R732 PolarHBondContact O-N 3.27Å; R732-H734 PolarHBondContact O-N 2.88Å; R732-G735 PolarHBondContact O-N 2.81Å; R732-G735 VanDerWaalsContact O-N 3.11Å |
| 733 | F | 93.3 | Very high | 91.4 | Very high | 170 Ų | 170 | 96.1 Ų | 96.1 | 75% | 0.746 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.3 | -45.1 | 179.7 | -179.8 | -102.6 | 0 | 0 | 0 | 113.6 | L729 G735 | L729-F733 VanDerWaalsContact O-CB 3.3Å; L729-F733 WeakPolarHBondContact O-CB 3.24Å; L729-F733 PolarHBondContact O-N 2.95Å; F733-G735 VanDerWaalsContact C-N 3.34Å |
| 734 | H | 91.4 | Very high | 91.4 | Very high | 119 Ų | 119 | 92.9 Ų | 92.9 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -0.2 | 178.5 | -65.6 | -52.9 | 0 | 0 | 0 | 114.5 | S730 R732 K736 | S730-H734 WeakPolarHBondContact O-CB 3.27Å; S730-H734 PolarHBondContact O-CD2 2.87Å; S730-H734 VanDerWaalsContact O-CD2 3.25Å; S730-H734 PolarHBondContact O-N 2.92Å; R732-H734 PolarHBondContact O-N 2.88Å; H734-K736 HydrophobicContact CB-CB 4.42Å; H734-K736 VanDerWaalsContact O-CG 3.32Å; H734-K736 WeakPolarHBondContact O-CG 3.29Å; H734-K736 PolarHBondContact O-N 3.44Å |
| 735 | G | 92.3 | Very high | 91.6 | Very high | 69 Ų | 69 | 99.5 Ų | 99.5 | 71% | 0.711 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 13.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | H731 R732 F733 | H731-G735 CarbonylContact O-C 3.59Å; H731-G735 WeakPolarHBondContact O-CA 3.44Å; H731-G735 PolarHBondContact O-N 2.82Å; H731-G735 VanDerWaalsContact O-N 3.16Å; R732-G735 PolarHBondContact O-N 2.81Å; R732-G735 VanDerWaalsContact O-N 3.11Å; F733-G735 VanDerWaalsContact C-N 3.34Å |
| 736 | K | 92.1 | Very high | 91.4 | Very high | 165 Ų | 165 | 102 Ų | 102 | 72% | 0.717 | 51% | 0.508 | S | S | * | . | trans | -126.3 | 97.7 | -166.2 | -75.8 | 165.8 | -172.6 | 171.2 | 0 | 110.1 | H731 H734 | H731-K736 PolarHBondContact CD2-O 3.04Å; H731-K736 PolarHBondContact O-N 2.96Å; H731-K736 VanDerWaalsContact O-N 3.14Å; H734-K736 HydrophobicContact CB-CB 4.42Å; H734-K736 VanDerWaalsContact O-CG 3.32Å; H734-K736 WeakPolarHBondContact O-CG 3.29Å; H734-K736 PolarHBondContact O-N 3.44Å | ||
| 737 | G | 88.7 | Confident | 91.2 | Very high | 63 Ų | 63 | 100.2 Ų | 100.2 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 166 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 738 | S | 90.9 | Very high | 91.2 | Very high | 32 Ų | 32 | 102.9 Ų | 102.9 | 22% | 0.224 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 131.1 | 167.7 | -77.7 | 0 | 0 | 0 | 0 | 110.8 | H731 T743 | H731-S738 PolarHBondContact CE1-OG 3.49Å; H731-S738 PolarHBondContact NE2-N 2.95Å; H731-S738 PolarHBondContact NE2-OG 3.13Å; S738-T743 WeakPolarHBondContact O-CG2 3.28Å |
| 739 | G | 91.9 | Very high | 91.2 | Very high | 51 Ų | 51 | 105 Ų | 105 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 154.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | M741 K742 T743 | G739-M741 PolarHBondContact O-N 2.96Å; G739-M741 VanDerWaalsContact O-N 3.14Å; G739-K742 WeakPolarHBondContact O-CA 3.28Å; G739-K742 WeakPolarHBondContact O-CB 3.03Å; G739-K742 PolarHBondContact O-N 3.37Å; G739-T743 PolarHBondContact O-N 3.43Å |
| 740 | K | 91.8 | Very high | 91 | Very high | 155 Ų | 155 | 101.4 Ų | 101.4 | 67% | 0.674 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -39.7 | -53.5 | -167.9 | -176.4 | 167 | 174.9 | 172.4 | 0 | 116.3 | K742 T743 E744 | K740-K742 PolarHBondContact O-N 3.02Å; K740-T743 WeakPolarHBondContact CA-OG1 3.16Å; K740-T743 PolarHBondContact O-N 2.91Å; K740-T743 PolarHBondContact O-OG1 2.94Å; K740-E744 WeakPolarHBondContact CE-OE1 3.49Å; K740-E744 HydrophobicContact CG-CG 4.16Å; K740-E744 WeakPolarHBondContact CG-OE1 3.48Å; K740-E744 IonicContact NZ-OE1 3.89Å; K740-E744 WeakPolarHBondContact O-CG 3.5Å; K740-E744 PolarHBondContact O-N 3.35Å |
| 741 | M | 91.4 | Very high | 90.8 | Very high | 112 Ų | 112 | 104.5 Ų | 104.5 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -23.6 | 178.3 | 176.1 | 63.2 | 61.9 | 0 | 0 | 114 | G739 R745 | G739-M741 PolarHBondContact O-N 2.96Å; G739-M741 VanDerWaalsContact O-N 3.14Å; M741-R745 WeakPolarHBondContact O-CB 3.48Å; M741-R745 WeakPolarHBondContact O-CD 3.34Å; M741-R745 WeakPolarHBondContact O-CG 3.45Å; M741-R745 HydrophobicContact SD-CG 4.43Å; M741-R745 PolarHBondContact SD-NE 3.25Å; M741-R745 PolarHBondContact SD-NH2 3.29Å |
| 742 | K | 90.8 | Very high | 90.5 | Very high | 149 Ų | 149 | 107.1 Ų | 107.1 | 65% | 0.648 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -88.5 | -27 | 175 | -67.1 | -177.8 | 179.4 | 177.5 | 0 | 113.1 | G739 K740 R746 | G739-K742 WeakPolarHBondContact O-CA 3.28Å; G739-K742 WeakPolarHBondContact O-CB 3.03Å; G739-K742 PolarHBondContact O-N 3.37Å; K740-K742 PolarHBondContact O-N 3.02Å; K742-R746 PolarHBondContact O-N 3.18Å |
| 743 | T | 88.3 | Confident | 90.2 | Very high | 61 Ų | 61 | 100.4 Ų | 100.4 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.9 | -44.8 | 173.7 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | S738 G739 K740 R745 R746 M747 | S738-T743 WeakPolarHBondContact O-CG2 3.28Å; G739-T743 PolarHBondContact O-N 3.43Å; K740-T743 WeakPolarHBondContact CA-OG1 3.16Å; K740-T743 PolarHBondContact O-N 2.91Å; K740-T743 PolarHBondContact O-OG1 2.94Å; T743-R745 VanDerWaalsContact C-N 3.35Å; T743-R745 PolarHBondContact O-N 3.27Å; T743-R746 WeakPolarHBondContact O-CA 3.3Å; T743-R746 PolarHBondContact O-N 3.34Å; T743-M747 PolarHBondContact O-N 3.1Å |
| 744 | E | 91.5 | Very high | 89.9 | Confident | 90 Ų | 90 | 94.3 Ų | 94.3 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.4 | -46.7 | 174 | -69.6 | 169.8 | 156 | 0 | 0 | 112 | K740 R746 M747 K748 | K740-E744 WeakPolarHBondContact CE-OE1 3.49Å; K740-E744 HydrophobicContact CG-CG 4.16Å; K740-E744 WeakPolarHBondContact CG-OE1 3.48Å; K740-E744 IonicContact NZ-OE1 3.89Å; K740-E744 WeakPolarHBondContact O-CG 3.5Å; K740-E744 PolarHBondContact O-N 3.35Å; E744-R746 VanDerWaalsContact C-N 3.27Å; E744-R746 PolarHBondContact O-N 3.07Å; E744-M747 PolarHBondContact O-N 2.66Å; E744-K748 WeakPolarHBondContact O-CB 3.31Å; E744-K748 PolarHBondContact O-N 3.49Å |
| 745 | R | 92.9 | Very high | 89.4 | Confident | 176 Ų | 176 | 93 Ų | 93 | 66% | 0.664 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65 | -26.1 | 174.7 | -74.2 | 178.2 | -169.2 | -152 | 3.1 | 113.8 | M741 T743 K749 | M741-R745 WeakPolarHBondContact O-CB 3.48Å; M741-R745 WeakPolarHBondContact O-CD 3.34Å; M741-R745 WeakPolarHBondContact O-CG 3.45Å; M741-R745 HydrophobicContact SD-CG 4.43Å; M741-R745 PolarHBondContact SD-NE 3.25Å; M741-R745 PolarHBondContact SD-NH2 3.29Å; T743-R745 VanDerWaalsContact C-N 3.35Å; T743-R745 PolarHBondContact O-N 3.27Å; R745-K749 WeakPolarHBondContact O-CB 3.37Å; R745-K749 PolarHBondContact O-N 2.87Å |
| 746 | R | 87.4 | Confident | 88.8 | Confident | 63 Ų | 63 | 94.6 Ų | 94.6 | 24% | 0.238 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -78.4 | -48.5 | 174.2 | -168.8 | -177.6 | -53 | 169.5 | 11.4 | 110.7 | K742 T743 E744 K748 K749 L750 | K742-R746 PolarHBondContact O-N 3.18Å; T743-R746 WeakPolarHBondContact O-CA 3.3Å; T743-R746 PolarHBondContact O-N 3.34Å; E744-R746 VanDerWaalsContact C-N 3.27Å; E744-R746 PolarHBondContact O-N 3.07Å; R746-K748 VanDerWaalsContact C-N 3.33Å; R746-K748 PolarHBondContact O-N 3.2Å; R746-K749 CarbonylContact O-C 3.56Å; R746-K749 WeakPolarHBondContact O-CA 3.22Å; R746-K749 PolarHBondContact O-N 3.38Å; R746-L750 HydrophobicContact CG-CD1 4.21Å; R746-L750 HydrophobicContact CG-CG 4.29Å; R746-L750 WeakPolarHBondContact O-CG 3.36Å; R746-L750 PolarHBondContact O-N 3.08Å |
| 747 | M | 88.4 | Confident | 88.3 | Confident | 109 Ų | 109 | 96 Ų | 96 | 54% | 0.537 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -51.5 | -54.4 | 175.3 | -68.3 | -57.4 | -65.2 | 0 | 0 | 109.9 | T743 E744 K749 L750 D751 | T743-M747 PolarHBondContact O-N 3.1Å; E744-M747 PolarHBondContact O-N 2.66Å; M747-K749 PolarHBondContact O-N 3.04Å; M747-K749 VanDerWaalsContact O-N 3.12Å; M747-L750 CarbonylContact O-C 3.55Å; M747-L750 WeakPolarHBondContact O-CA 3.25Å; M747-L750 WeakPolarHBondContact O-CB 3.18Å; M747-L750 PolarHBondContact O-N 3.48Å; M747-L750 HydrophobicContact SD-CD1 4.5Å; M747-D751 VanDerWaalsContact C-OD2 3.25Å; M747-D751 PolarHBondContact O-N 2.58Å |
| 748 | K | 92.1 | Very high | 88 | Confident | 128 Ų | 128 | 101.3 Ų | 101.3 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -56.2 | -35.2 | 177.6 | -167.2 | 173.2 | -167.8 | -74 | 0 | 113.7 | E744 R746 E752 | E744-K748 WeakPolarHBondContact O-CB 3.31Å; E744-K748 PolarHBondContact O-N 3.49Å; R746-K748 VanDerWaalsContact C-N 3.33Å; R746-K748 PolarHBondContact O-N 3.2Å; K748-E752 IonicContact NZ-OE1 2.58Å; K748-E752 PolarHBondContact NZ-OE1 2.78Å; K748-E752 VanDerWaalsContact O-CB 3.28Å; K748-E752 WeakPolarHBondContact O-CB 3.48Å; K748-E752 WeakPolarHBondContact O-CG 3.43Å; K748-E752 PolarHBondContact O-N 3.33Å |
| 749 | K | 90.7 | Very high | 87.1 | Confident | 108 Ų | 108 | 103 Ų | 103 | 47% | 0.47 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.7 | -35.4 | 175.1 | -175.8 | 170.6 | -177 | -74.7 | 0 | 112.6 | R745 R746 M747 E753 | R745-K749 WeakPolarHBondContact O-CB 3.37Å; R745-K749 PolarHBondContact O-N 2.87Å; R746-K749 CarbonylContact O-C 3.56Å; R746-K749 WeakPolarHBondContact O-CA 3.22Å; R746-K749 PolarHBondContact O-N 3.38Å; M747-K749 PolarHBondContact O-N 3.04Å; M747-K749 VanDerWaalsContact O-N 3.12Å; K749-E753 IonicContact NZ-OE1 2.53Å; K749-E753 PolarHBondContact NZ-OE1 3.42Å; K749-E753 WeakPolarHBondContact O-CB 3.4Å; K749-E753 VanDerWaalsContact O-CG 3.28Å; K749-E753 WeakPolarHBondContact O-CG 2.85Å; K749-E753 PolarHBondContact O-N 3.28Å |
| 750 | L | 88.2 | Confident | 85.7 | Confident | 39 Ų | 39 | 104.7 Ų | 104.7 | 20% | 0.204 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 172.6 | -63.1 | 172.7 | 0 | 0 | 0 | 110.6 | R718 R746 M747 E753 A754 | R718-L750 VanDerWaalsContact NH1-CD2 3.29Å; R746-L750 HydrophobicContact CG-CD1 4.21Å; R746-L750 HydrophobicContact CG-CG 4.29Å; R746-L750 WeakPolarHBondContact O-CG 3.36Å; R746-L750 PolarHBondContact O-N 3.08Å; M747-L750 CarbonylContact O-C 3.55Å; M747-L750 WeakPolarHBondContact O-CA 3.25Å; M747-L750 WeakPolarHBondContact O-CB 3.18Å; M747-L750 PolarHBondContact O-N 3.48Å; M747-L750 HydrophobicContact SD-CD1 4.5Å; L750-E753 PolarHBondContact O-N 3.17Å; L750-A754 WeakPolarHBondContact O-CB 2.78Å; L750-A754 PolarHBondContact O-N 3.2Å |
| 751 | D | 87.4 | Confident | 84.3 | Confident | 93 Ų | 93 | 103.8 Ų | 103.8 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.2 | -57.9 | -40 | 0 | 0 | 0 | 111.4 | M747 A754 L755 | M747-D751 VanDerWaalsContact C-OD2 3.25Å; M747-D751 PolarHBondContact O-N 2.58Å; D751-A754 PolarHBondContact O-N 3.05Å; D751-L755 VanDerWaalsContact O-CB 3.25Å; D751-L755 WeakPolarHBondContact O-CB 3.46Å; D751-L755 PolarHBondContact O-N 2.84Å |
| 752 | E | 86.8 | Confident | 83 | Confident | 99 Ų | 99 | 102.4 Ų | 102.4 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.1 | -78.7 | 166.6 | -179.9 | 0 | 0 | 112 | K748 L756 | K748-E752 IonicContact NZ-OE1 2.58Å; K748-E752 PolarHBondContact NZ-OE1 2.78Å; K748-E752 VanDerWaalsContact O-CB 3.28Å; K748-E752 WeakPolarHBondContact O-CB 3.48Å; K748-E752 WeakPolarHBondContact O-CG 3.43Å; K748-E752 PolarHBondContact O-N 3.33Å; E752-L756 VanDerWaalsContact O-CB 3.22Å; E752-L756 WeakPolarHBondContact O-CB 3.17Å; E752-L756 PolarHBondContact O-N 2.69Å |
| 753 | E | 86.1 | Confident | 81.8 | Confident | 57 Ų | 57 | 97.1 Ų | 97.1 | 27% | 0.266 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 175.1 | -77.2 | 174.5 | -175 | 0 | 0 | 112.6 | R718 K749 L750 K757 | R718-E753 IonicContact CZ-OE2 3.2Å; R718-E753 IonicContact NH1-OE2 2.73Å; R718-E753 PolarHBondContact NH1-OE2 3.01Å; R718-E753 IonicContact NH2-OE2 2.73Å; R718-E753 PolarHBondContact NH2-OE2 2.94Å; K749-E753 IonicContact NZ-OE1 2.53Å; K749-E753 PolarHBondContact NZ-OE1 3.42Å; K749-E753 WeakPolarHBondContact O-CB 3.4Å; K749-E753 VanDerWaalsContact O-CG 3.28Å; K749-E753 WeakPolarHBondContact O-CG 2.85Å; K749-E753 PolarHBondContact O-N 3.28Å; L750-E753 PolarHBondContact O-N 3.17Å; E753-K757 VanDerWaalsContact O-CB 3.31Å; E753-K757 WeakPolarHBondContact O-CB 3.47Å; E753-K757 PolarHBondContact O-N 2.76Å |
| 754 | A | 86 | Confident | 80.9 | Confident | 43 Ų | 43 | 96.7 Ų | 96.7 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.3 | -35.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | L750 D751 K758 | L750-A754 WeakPolarHBondContact O-CB 2.78Å; L750-A754 PolarHBondContact O-N 3.2Å; D751-A754 PolarHBondContact O-N 3.05Å; A754-K758 WeakPolarHBondContact O-CB 3.34Å; A754-K758 WeakPolarHBondContact O-CD 3.4Å; A754-K758 WeakPolarHBondContact O-CG 3.45Å; A754-K758 PolarHBondContact O-N 3.38Å |
| 755 | L | 82.4 | Confident | 79.4 | Confident | 92 Ų | 92 | 95.9 Ų | 95.9 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -48.4 | 172.3 | -177.3 | 62.4 | 0 | 0 | 0 | 110.5 | D751 K757 K758 M759 | D751-L755 VanDerWaalsContact O-CB 3.25Å; D751-L755 WeakPolarHBondContact O-CB 3.46Å; D751-L755 PolarHBondContact O-N 2.84Å; L755-K757 VanDerWaalsContact C-N 3.3Å; L755-K757 PolarHBondContact O-N 3.42Å; L755-K758 WeakPolarHBondContact O-CB 3.49Å; L755-K758 PolarHBondContact O-N 3.07Å; L755-M759 HydrophobicContact CD1-SD 4.42Å; L755-M759 HydrophobicContact CG-SD 4.2Å; L755-M759 WeakPolarHBondContact O-CG 3.27Å; L755-M759 PolarHBondContact O-N 3.4Å; L755-M759 VanDerWaalsContact O-N 3.17Å |
| 756 | L | 78.2 | Confident | 78.1 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57 | -42.8 | 177.2 | -170.4 | 71.8 | 0 | 0 | 0 | 111.7 | E752 K758 M759 P765 | E752-L756 VanDerWaalsContact O-CB 3.22Å; E752-L756 WeakPolarHBondContact O-CB 3.17Å; E752-L756 PolarHBondContact O-N 2.69Å; L756-K758 VanDerWaalsContact C-N 3.3Å; L756-K758 PolarHBondContact O-N 3.41Å; L756-M759 PolarHBondContact O-N 2.84Å; L756-P765 HydrophobicContact CD1-CG 4.3Å |
| 757 | K | 82.9 | Confident | 77.2 | Confident | 193 Ų | 193 | 92.4 Ų | 92.4 | 84% | 0.839 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.8 | -20.3 | 176.9 | -171.8 | 173.4 | 179.8 | -177 | 0 | 113.8 | E753 L755 | E753-K757 VanDerWaalsContact O-CB 3.31Å; E753-K757 WeakPolarHBondContact O-CB 3.47Å; E753-K757 PolarHBondContact O-N 2.76Å; L755-K757 VanDerWaalsContact C-N 3.3Å; L755-K757 PolarHBondContact O-N 3.42Å |
| 758 | K | 82.3 | Confident | 76.5 | Confident | 175 Ų | 175 | 89.7 Ų | 89.7 | 76% | 0.761 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -85.6 | -13.6 | 174 | -75.5 | 168.1 | -175.2 | 178.7 | 0 | 113.1 | A754 L755 L756 | A754-K758 WeakPolarHBondContact O-CB 3.34Å; A754-K758 WeakPolarHBondContact O-CD 3.4Å; A754-K758 WeakPolarHBondContact O-CG 3.45Å; A754-K758 PolarHBondContact O-N 3.38Å; L755-K758 WeakPolarHBondContact O-CB 3.49Å; L755-K758 PolarHBondContact O-N 3.07Å; L756-K758 VanDerWaalsContact C-N 3.3Å; L756-K758 PolarHBondContact O-N 3.41Å |
| 759 | M | 70.9 | Confident | 75.7 | Confident | 69 Ų | 69 | 85.9 Ų | 85.9 | 34% | 0.34 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -92 | 146.8 | -179.3 | -69.1 | -179.2 | 72.2 | 0 | 0 | 111.3 | L755 L756 T764 P765 | L755-M759 HydrophobicContact CD1-SD 4.42Å; L755-M759 HydrophobicContact CG-SD 4.2Å; L755-M759 WeakPolarHBondContact O-CG 3.27Å; L755-M759 PolarHBondContact O-N 3.4Å; L755-M759 VanDerWaalsContact O-N 3.17Å; L756-M759 PolarHBondContact O-N 2.84Å; M759-T764 VanDerWaalsContact CE-O 3.32Å; M759-T764 WeakPolarHBondContact CE-O 3.32Å; M759-P765 HydrophobicContact SD-CB 4.09Å |
| 760 | S | 64.2 | Low | 75.2 | Confident | 85 Ų | 85 | 83.3 Ų | 83.3 | 59% | 0.594 | 47% | 0.472 | S | S | * | . | trans | -60.5 | 143.8 | 171.7 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | S762 D763 | S760-S762 WeakPolarHBondContact CB-OG 3.4Å; S760-S762 PolarHBondContact O-N 3.39Å; S760-S762 PolarHBondContact OG-OG 2.97Å; S760-D763 PolarHBondContact O-N 2.87Å | ||
| 761 | S | 61.9 | Low | 74.8 | Confident | 137 Ų | 137 | 84.2 Ų | 84.2 | 96% | 0.958 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -4.8 | 176.6 | -46.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 762 | S | 64.4 | Low | 74.5 | Confident | 82 Ų | 82 | 82.5 Ų | 82.5 | 57% | 0.573 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -13.1 | -174.6 | 58.5 | 0 | 0 | 0 | 0 | 115.7 | S760 | S760-S762 WeakPolarHBondContact CB-OG 3.4Å; S760-S762 PolarHBondContact O-N 3.39Å; S760-S762 PolarHBondContact OG-OG 2.97Å |
| 763 | D | 65.4 | Low | 74.3 | Confident | 39 Ų | 39 | 82 Ų | 82 | 21% | 0.209 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -143.7 | 154.8 | 176.9 | -151.5 | -20.2 | 0 | 0 | 0 | 113.1 | S760 G767 T768 V769 A770 | S760-D763 PolarHBondContact O-N 2.87Å; D763-G767 VanDerWaalsContact OD1-C 3.25Å; D763-G767 WeakPolarHBondContact OD2-CA 3.31Å; D763-T768 PolarHBondContact OD1-N 2.99Å; D763-V769 HydrophobicContact CB-CB 4.22Å; D763-V769 HydrophobicContact CB-CG2 4.5Å; D763-V769 WeakPolarHBondContact OD1-CB 3.34Å; D763-V769 WeakPolarHBondContact OD1-CG2 3.17Å; D763-V769 PolarHBondContact OD1-N 3.09Å; D763-V769 PolarHBondContact OD2-N 3.37Å; D763-A770 WeakPolarHBondContact OD2-CB 3.31Å; D763-A770 PolarHBondContact OD2-N 2.78Å |
| 764 | T | 69.4 | Low | 74.2 | Confident | 51 Ų | 51 | 85.3 Ų | 85.3 | 31% | 0.313 | 48% | 0.48 | S | S | . | . | trans | -76.5 | 160.8 | 176.3 | 73.8 | 0 | 0 | 0 | 0 | 111 | M759 L766 G767 T768 | M759-T764 VanDerWaalsContact CE-O 3.32Å; M759-T764 WeakPolarHBondContact CE-O 3.32Å; T764-L766 PolarHBondContact O-N 2.88Å; T764-L766 PolarHBondContact OG1-N 3.01Å; T764-G767 PolarHBondContact O-N 3.28Å; T764-T768 VanDerWaalsContact CG2-OG1 3.31Å; T764-T768 WeakPolarHBondContact CG2-OG1 3.49Å; T764-T768 PolarHBondContact OG1-N 2.97Å; T764-T768 PolarHBondContact OG1-OG1 2.75Å | ||
| 765 | P | 58.5 | Low | 74.1 | Confident | 74 Ų | 74 | 87.1 Ų | 87.1 | 48% | 0.481 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 5.8 | 173.8 | 27.1 | -36.8 | 0 | 0 | 0 | 115.3 | L756 M759 | L756-P765 HydrophobicContact CD1-CG 4.3Å; M759-P765 HydrophobicContact SD-CB 4.09Å |
| 766 | L | 65.6 | Low | 74.3 | Confident | 142 Ų | 142 | 85.7 Ų | 85.7 | 74% | 0.743 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 7 | 173.7 | -78.8 | 158.5 | 0 | 0 | 0 | 112.6 | T764 T768 | T764-L766 PolarHBondContact O-N 2.88Å; T764-L766 PolarHBondContact OG1-N 3.01Å; L766-T768 HydrophobicContact CB-CG2 3.74Å; L766-T768 PolarHBondContact O-N 2.79Å |
| 767 | G | 69.2 | Low | 74.7 | Confident | 24 Ų | 24 | 88 Ų | 88 | 25% | 0.247 | 48% | 0.477 | C | S | . | . | trans | 63.2 | 20.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D763 T764 V769 A770 L771 | D763-G767 VanDerWaalsContact OD1-C 3.25Å; D763-G767 WeakPolarHBondContact OD2-CA 3.31Å; T764-G767 PolarHBondContact O-N 3.28Å; G767-V769 VanDerWaalsContact C-N 3.32Å; G767-V769 PolarHBondContact O-N 2.88Å; G767-A770 PolarHBondContact O-N 3.37Å; G767-L771 WeakPolarHBondContact O-CD1 3.32Å; G767-L771 WeakPolarHBondContact O-CG 3.44Å; G767-L771 PolarHBondContact O-N 2.88Å; G767-L771 VanDerWaalsContact O-N 3.14Å | ||
| 768 | T | 72.9 | Confident | 74.9 | Confident | 52 Ų | 52 | 82.7 Ų | 82.7 | 32% | 0.319 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.6 | -32.8 | -167.1 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | D763 T764 L766 L772 | D763-T768 PolarHBondContact OD1-N 2.99Å; T764-T768 VanDerWaalsContact CG2-OG1 3.31Å; T764-T768 WeakPolarHBondContact CG2-OG1 3.49Å; T764-T768 PolarHBondContact OG1-N 2.97Å; T764-T768 PolarHBondContact OG1-OG1 2.75Å; L766-T768 HydrophobicContact CB-CG2 3.74Å; L766-T768 PolarHBondContact O-N 2.79Å; T768-L772 WeakPolarHBondContact O-CB 3.41Å; T768-L772 WeakPolarHBondContact O-CD1 3.48Å; T768-L772 WeakPolarHBondContact O-CG 3.37Å; T768-L772 PolarHBondContact O-N 2.88Å |
| 769 | V | 77.1 | Confident | 75 | Confident | 48 Ų | 48 | 80.1 Ų | 80.1 | 29% | 0.291 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.8 | -44.7 | -178.7 | -176 | 0 | 0 | 0 | 0 | 109.8 | D763 G767 L771 L772 Q773 | D763-V769 HydrophobicContact CB-CB 4.22Å; D763-V769 HydrophobicContact CB-CG2 4.5Å; D763-V769 WeakPolarHBondContact OD1-CB 3.34Å; D763-V769 WeakPolarHBondContact OD1-CG2 3.17Å; D763-V769 PolarHBondContact OD1-N 3.09Å; D763-V769 PolarHBondContact OD2-N 3.37Å; G767-V769 VanDerWaalsContact C-N 3.32Å; G767-V769 PolarHBondContact O-N 2.88Å; V769-L771 PolarHBondContact O-N 3.34Å; V769-L772 PolarHBondContact O-N 3.48Å; V769-Q773 HydrophobicContact CG1-CG 4.47Å; V769-Q773 WeakPolarHBondContact O-CB 3.05Å; V769-Q773 VanDerWaalsContact O-CG 3.31Å; V769-Q773 WeakPolarHBondContact O-CG 3.47Å; V769-Q773 PolarHBondContact O-N 3.49Å |
| 770 | A | 79.7 | Confident | 75.8 | Confident | 54 Ų | 54 | 85.8 Ų | 85.8 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D763 G767 L772 Q773 E774 | D763-A770 WeakPolarHBondContact OD2-CB 3.31Å; D763-A770 PolarHBondContact OD2-N 2.78Å; G767-A770 PolarHBondContact O-N 3.37Å; A770-L772 VanDerWaalsContact C-N 3.35Å; A770-L772 PolarHBondContact O-N 3.06Å; A770-Q773 PolarHBondContact O-N 3.44Å; A770-E774 PolarHBondContact O-N 3.34Å |
| 771 | L | 80.1 | Confident | 76.8 | Confident | 58 Ų | 58 | 83.7 Ų | 83.7 | 30% | 0.304 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.1 | -32.2 | 179.8 | -72.1 | 160.7 | 0 | 0 | 0 | 113.2 | G767 V769 K775 I798 | G767-L771 WeakPolarHBondContact O-CD1 3.32Å; G767-L771 WeakPolarHBondContact O-CG 3.44Å; G767-L771 PolarHBondContact O-N 2.88Å; G767-L771 VanDerWaalsContact O-N 3.14Å; V769-L771 PolarHBondContact O-N 3.34Å; L771-K775 PolarHBondContact O-N 2.9Å; L771-I798 HydrophobicContact CB-CG2 3.95Å; L771-I798 HydrophobicContact CD1-CG2 3.82Å; L771-I798 HydrophobicContact CD2-CG2 3.96Å; L771-I798 HydrophobicContact CG-CG2 4.12Å |
| 772 | L | 79.9 | Confident | 77.7 | Confident | 57 Ų | 57 | 82.8 Ų | 82.8 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.3 | -44.2 | 173.5 | -74.7 | 169.3 | 0 | 0 | 0 | 111 | T768 V769 A770 E774 K775 Q776 I784 L786 | T768-L772 WeakPolarHBondContact O-CB 3.41Å; T768-L772 WeakPolarHBondContact O-CD1 3.48Å; T768-L772 WeakPolarHBondContact O-CG 3.37Å; T768-L772 PolarHBondContact O-N 2.88Å; V769-L772 PolarHBondContact O-N 3.48Å; A770-L772 VanDerWaalsContact C-N 3.35Å; A770-L772 PolarHBondContact O-N 3.06Å; L772-E774 VanDerWaalsContact C-N 3.32Å; L772-E774 PolarHBondContact O-N 3.2Å; L772-K775 PolarHBondContact O-N 2.91Å; L772-K775 VanDerWaalsContact O-N 3.13Å; L772-Q776 PolarHBondContact O-N 3.37Å; L772-I784 HydrophobicContact CB-CD1 3.47Å; L772-I784 VanDerWaalsContact CB-CD1 3.47Å; L772-I784 HydrophobicContact CD2-CD1 3.49Å; L772-I784 VanDerWaalsContact CD2-CD1 3.49Å; L772-I784 HydrophobicContact CD2-CG2 4.26Å; L772-I784 HydrophobicContact CG-CD1 4.02Å; L772-I784 VanDerWaalsContact O-CD1 3.25Å; L772-I784 WeakPolarHBondContact O-CD1 3.38Å; L772-L786 HydrophobicContact CD2-CD2 4.04Å |
| 773 | Q | 82.5 | Confident | 78.4 | Confident | 88 Ų | 88 | 86.1 Ų | 86.1 | 41% | 0.411 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.6 | -37.6 | 173.6 | -73.1 | -179.7 | 15.7 | 0 | 0 | 112.6 | V769 A770 K775 Q776 K777 | V769-Q773 HydrophobicContact CG1-CG 4.47Å; V769-Q773 WeakPolarHBondContact O-CB 3.05Å; V769-Q773 VanDerWaalsContact O-CG 3.31Å; V769-Q773 WeakPolarHBondContact O-CG 3.47Å; V769-Q773 PolarHBondContact O-N 3.49Å; A770-Q773 PolarHBondContact O-N 3.44Å; Q773-K775 VanDerWaalsContact C-N 3.34Å; Q773-Q776 PolarHBondContact O-N 3.13Å; Q773-K777 WeakPolarHBondContact O-CD 3.25Å; Q773-K777 VanDerWaalsContact O-CG 3.28Å; Q773-K777 WeakPolarHBondContact O-CG 3.42Å; Q773-K777 PolarHBondContact O-N 2.85Å |
| 774 | E | 84.6 | Confident | 79.2 | Confident | 126 Ų | 126 | 86.4 Ų | 86.4 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.9 | -42.9 | 173.1 | -168.7 | -175.7 | -176.5 | 0 | 0 | 110.9 | A770 L772 K777 A778 | A770-E774 PolarHBondContact O-N 3.34Å; L772-E774 VanDerWaalsContact C-N 3.32Å; L772-E774 PolarHBondContact O-N 3.2Å; E774-K777 PolarHBondContact O-N 3.33Å; E774-A778 WeakPolarHBondContact O-CB 3.28Å; E774-A778 PolarHBondContact O-N 3.31Å |
| 775 | K | 84.1 | Confident | 79.6 | Confident | 82 Ų | 82 | 89 Ų | 89 | 36% | 0.357 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.4 | -33.9 | 175.8 | -70.7 | -167.6 | -179.8 | -173.6 | 0 | 113.3 | L771 L772 Q773 A778 Q779 T797 | L771-K775 PolarHBondContact O-N 2.9Å; L772-K775 PolarHBondContact O-N 2.91Å; L772-K775 VanDerWaalsContact O-N 3.13Å; Q773-K775 VanDerWaalsContact C-N 3.34Å; K775-A778 PolarHBondContact O-N 2.89Å; K775-Q779 VanDerWaalsContact O-CB 3.3Å; K775-Q779 WeakPolarHBondContact O-CB 3.42Å; K775-Q779 WeakPolarHBondContact O-CG 3.27Å; K775-Q779 PolarHBondContact O-N 3.42Å; K775-T797 PolarHBondContact NZ-O 2.91Å; K775-T797 VanDerWaalsContact NZ-O 3.11Å |
| 776 | Q | 86.7 | Confident | 80.2 | Confident | 61 Ų | 61 | 91.8 Ų | 91.8 | 29% | 0.285 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 168.2 | -76.7 | 167.2 | -55.2 | 0 | 0 | 111.6 | L772 Q773 A778 Q779 K780 T781 P782 I784 | L772-Q776 PolarHBondContact O-N 3.37Å; Q773-Q776 PolarHBondContact O-N 3.13Å; Q776-A778 VanDerWaalsContact C-N 3.34Å; Q776-A778 PolarHBondContact O-N 3.43Å; Q776-Q779 PolarHBondContact O-N 3.11Å; Q776-K780 VanDerWaalsContact O-CA 3.27Å; Q776-K780 WeakPolarHBondContact O-CA 3.35Å; Q776-K780 PolarHBondContact O-N 2.96Å; Q776-T781 PolarHBondContact O-N 3.2Å; Q776-P782 PolarHBondContact NE2-O 2.88Å; Q776-I784 HydrophobicContact CG-CD1 3.7Å; Q776-I784 HydrophobicContact CG-CG1 3.4Å |
| 777 | K | 86.4 | Confident | 80.4 | Confident | 151 Ų | 151 | 89.2 Ų | 89.2 | 66% | 0.657 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.3 | -40.1 | 178.2 | -70.8 | 163.1 | -176.3 | 169.2 | 0 | 111.9 | Q773 E774 | Q773-K777 WeakPolarHBondContact O-CD 3.25Å; Q773-K777 VanDerWaalsContact O-CG 3.28Å; Q773-K777 WeakPolarHBondContact O-CG 3.42Å; Q773-K777 PolarHBondContact O-N 2.85Å; E774-K777 PolarHBondContact O-N 3.33Å |
| 778 | A | 87.2 | Confident | 79.7 | Confident | 81 Ų | 81 | 92.1 Ų | 92.1 | 67% | 0.669 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.7 | -41.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E774 K775 Q776 K780 | E774-A778 WeakPolarHBondContact O-CB 3.28Å; E774-A778 PolarHBondContact O-N 3.31Å; K775-A778 PolarHBondContact O-N 2.89Å; Q776-A778 VanDerWaalsContact C-N 3.34Å; Q776-A778 PolarHBondContact O-N 3.43Å; A778-K780 VanDerWaalsContact C-N 3.34Å |
| 779 | Q | 84.9 | Confident | 78.2 | Confident | 121 Ų | 121 | 94 Ų | 94 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -81.3 | -14.8 | 177.9 | -66.5 | -176.2 | -39.4 | 0 | 0 | 113.1 | K775 Q776 T781 | K775-Q779 VanDerWaalsContact O-CB 3.3Å; K775-Q779 WeakPolarHBondContact O-CB 3.42Å; K775-Q779 WeakPolarHBondContact O-CG 3.27Å; K775-Q779 PolarHBondContact O-N 3.42Å; Q776-Q779 PolarHBondContact O-N 3.11Å; Q779-T781 HydrophobicContact CB-CG2 4.45Å; Q779-T781 PolarHBondContact O-N 2.97Å |
| 780 | K | 87 | Confident | 77.1 | Confident | 188 Ų | 188 | 95.7 Ų | 95.7 | 82% | 0.817 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 56.5 | 26 | -173.5 | -56 | -176.5 | -178.6 | -178.4 | 0 | 113.8 | Q776 A778 | Q776-K780 VanDerWaalsContact O-CA 3.27Å; Q776-K780 WeakPolarHBondContact O-CA 3.35Å; Q776-K780 PolarHBondContact O-N 2.96Å; A778-K780 VanDerWaalsContact C-N 3.34Å |
| 781 | T | 84.4 | Confident | 75.8 | Confident | 42 Ų | 42 | 102.8 Ų | 102.8 | 26% | 0.258 | 57% | 0.572 | S | S | . | * | trans | -101.9 | 138.4 | 177.2 | 52.6 | 0 | 0 | 0 | 0 | 111 | Q776 Q779 Y783 | Q776-T781 PolarHBondContact O-N 3.2Å; Q779-T781 HydrophobicContact CB-CG2 4.45Å; Q779-T781 PolarHBondContact O-N 2.97Å; T781-Y783 WeakPolarHBondContact CB-O 3.3Å; T781-Y783 PolarHBondContact O-N 3.32Å; T781-Y783 PolarHBondContact OG1-O 3.44Å | ||
| 782 | P | 82.4 | Confident | 74.2 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 76% | 0.76 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -70.4 | -19.2 | 177.1 | 27.5 | -32.7 | 0 | 0 | 0 | 112.7 | Q776 | Q776-P782 PolarHBondContact NE2-O 2.88Š|
| 783 | Y | 78.8 | Confident | 72.6 | Confident | 152 Ų | 152 | 109 Ų | 109 | 60% | 0.596 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -117.4 | 162.9 | 176 | 62 | -92 | 0 | 0 | 0 | 112.1 | T781 V785 | T781-Y783 WeakPolarHBondContact CB-O 3.3Å; T781-Y783 PolarHBondContact O-N 3.32Å; T781-Y783 PolarHBondContact OG1-O 3.44Å; Y783-V785 HydrophobicContact CD2-CG2 3.87Å; Y783-V785 HydrophobicContact CE2-CG2 3.66Å |
| 784 | I | 81 | Confident | 70.8 | Confident | 46 Ų | 46 | 110.4 Ų | 110.4 | 24% | 0.236 | 62% | 0.62 | C | S | . | * | trans | -121.1 | 126.1 | 171 | -51.3 | 170 | 0 | 0 | 0 | 107.5 | L772 Q776 L786 | L772-I784 HydrophobicContact CB-CD1 3.47Å; L772-I784 VanDerWaalsContact CB-CD1 3.47Å; L772-I784 HydrophobicContact CD2-CD1 3.49Å; L772-I784 VanDerWaalsContact CD2-CD1 3.49Å; L772-I784 HydrophobicContact CD2-CG2 4.26Å; L772-I784 HydrophobicContact CG-CD1 4.02Å; L772-I784 VanDerWaalsContact O-CD1 3.25Å; L772-I784 WeakPolarHBondContact O-CD1 3.38Å; Q776-I784 HydrophobicContact CG-CD1 3.7Å; Q776-I784 HydrophobicContact CG-CG1 3.4Å; I784-L786 HydrophobicContact CG2-CD2 4.14Å; I784-L786 PolarHBondContact O-N 3.14Å; I784-L786 VanDerWaalsContact O-N 3.09Å | ||
| 785 | V | 78.9 | Confident | 68.9 | Low | 104 Ų | 104 | 108 Ų | 108 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | trans | -80.9 | 93.4 | 175.1 | -173 | 0 | 0 | 0 | 0 | 109.2 | Y783 S787 | Y783-V785 HydrophobicContact CD2-CG2 3.87Å; Y783-V785 HydrophobicContact CE2-CG2 3.66Å; V785-S787 PolarHBondContact O-N 3.42Å | ||
| 786 | L | 71.6 | Confident | 67.1 | Low | 133 Ų | 133 | 110.7 Ų | 110.7 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | trans | -72.4 | 74.9 | 170.1 | -62.1 | 179.9 | 0 | 0 | 0 | 109.8 | L772 I784 G788 | L772-L786 HydrophobicContact CD2-CD2 4.04Å; I784-L786 HydrophobicContact CG2-CD2 4.14Å; I784-L786 PolarHBondContact O-N 3.14Å; I784-L786 VanDerWaalsContact O-N 3.09Å; L786-G788 PolarHBondContact O-N 3.27Å | ||
| 787 | S | 68.6 | Low | 65.2 | Low | 89 Ų | 89 | 112.8 Ų | 112.8 | 62% | 0.622 | 66% | 0.657 | S | S | * | * | trans | -69 | 98.4 | -173.6 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | V785 S789 | V785-S787 PolarHBondContact O-N 3.42Å; S787-S789 PolarHBondContact O-N 3.45Å | ||
| 788 | G | 55.8 | Low | 63.4 | Low | 85 Ų | 85 | 108.7 Ų | 108.7 | 88% | 0.876 | 64% | 0.641 | S | S | * | * | trans | -68.2 | 36.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | L786 G790 | L786-G788 PolarHBondContact O-N 3.27Å; G788-G790 PolarHBondContact O-N 2.79Å | ||
| 789 | S | 40.3 | Very low | 61.1 | Low | 91 Ų | 91 | 109.6 Ų | 109.6 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | trans | -85.5 | 101.4 | 169.7 | -168.5 | 0 | 0 | 0 | 0 | 109.5 | S787 K791 | S787-S789 PolarHBondContact O-N 3.45Å; S789-K791 PolarHBondContact O-N 3.45Å | ||
| 790 | G | 53.7 | Low | 58.8 | Low | 84 Ų | 84 | 117.5 Ų | 117.5 | 87% | 0.866 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 49.9 | -163 | 0 | 0 | 0 | 0 | 0 | 117.6 | G788 | G788-G790 PolarHBondContact O-N 2.79Š|
| 791 | K | 52.5 | Low | 57.4 | Low | 202 Ų | 202 | 114 Ų | 114 | 88% | 0.878 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.5 | -9.4 | 178.9 | -92 | 169.2 | -175.4 | 168.8 | 0 | 116.5 | S789 | S789-K791 PolarHBondContact O-N 3.45Š|
| 792 | S | 46.2 | Very low | 55.9 | Low | 86 Ų | 86 | 117.7 Ų | 117.7 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | trans | -124.9 | 6.3 | -170 | 54.9 | 0 | 0 | 0 | 0 | 116.9 | N794 | S792-N794 PolarHBondContact O-N 2.88Š| ||
| 793 | M | 47.5 | Very low | 54.5 | Low | 161 Ų | 161 | 117.8 Ų | 117.8 | 79% | 0.793 | 68% | 0.681 | S | S | * | * | trans | -75.5 | 72 | 166.7 | -80.5 | -73.8 | -83 | 0 | 0 | 110.6 | A795 I798 | M793-A795 PolarHBondContact O-N 3.44Å; M793-I798 HydrophobicContact CE-CD1 4.42Å | ||
| 794 | N | 43.3 | Very low | 53 | Low | 117 Ų | 117 | 115.8 Ų | 115.8 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | trans | -70.1 | 116 | 167.6 | -78.1 | -17.5 | 0 | 0 | 0 | 108.8 | S792 N796 T797 | S792-N794 PolarHBondContact O-N 2.88Å; N794-N796 PolarHBondContact O-N 3.26Å; N794-T797 PolarHBondContact O-N 2.87Å; N794-T797 PolarHBondContact O-OG1 2.65Å | ||
| 795 | A | 46.4 | Very low | 51.3 | Low | 74 Ų | 74 | 120.1 Ų | 120.1 | 61% | 0.612 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -59.7 | -15.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | M793 T797 | M793-A795 PolarHBondContact O-N 3.44Å; A795-T797 VanDerWaalsContact C-N 3.29Å; A795-T797 PolarHBondContact O-N 2.73Å |
| 796 | N | 44.5 | Very low | 49.4 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -83 | 7.9 | -174.7 | -55.4 | 22.7 | 0 | 0 | 0 | 114.3 | N794 | N794-N796 PolarHBondContact O-N 3.26Š|
| 797 | T | 48.5 | Very low | 47.9 | Very low | 105 Ų | 105 | 120.4 Ų | 120.4 | 64% | 0.644 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -115.7 | 15.8 | 173.5 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | K775 N794 A795 | K775-T797 PolarHBondContact NZ-O 2.91Å; K775-T797 VanDerWaalsContact NZ-O 3.11Å; N794-T797 PolarHBondContact O-N 2.87Å; N794-T797 PolarHBondContact O-OG1 2.65Å; A795-T797 VanDerWaalsContact C-N 3.29Å; A795-T797 PolarHBondContact O-N 2.73Å |
| 798 | I | 48.3 | Very low | 46.3 | Very low | 64 Ų | 64 | 122.8 Ų | 122.8 | 33% | 0.328 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -136.1 | 48.1 | 169.7 | -38.5 | -175.7 | 0 | 0 | 0 | 108.9 | L771 M793 | L771-I798 HydrophobicContact CB-CG2 3.95Å; L771-I798 HydrophobicContact CD1-CG2 3.82Å; L771-I798 HydrophobicContact CD2-CG2 3.96Å; L771-I798 HydrophobicContact CG-CG2 4.12Å; M793-I798 HydrophobicContact CE-CD1 4.42Å |
| 799 | T | 37.5 | Very low | 45.5 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | trans | -141.3 | 122.3 | 176.8 | 50.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 800 | K | 36.8 | Very low | 45.9 | Very low | 286 Ų | 286 | 129.1 Ų | 129.1 | 100% | 1.243 | 72% | 0.724 | S | S | * | * | trans | -139.1 | 0 | 154.4 | -110.3 | -168.9 | 174.6 | -173.7 | 0 | 107.6 |
Retrieved 800 of 800 residues in 100.6 ms
(Link to these results)