| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.8 | Very low | 52.7 | Low | 251 Ų | 251 | 134.5 Ų | 134.5 | 100% | 1.236 | 77% | 0.765 | S | S | * | * | 0 | 88.3 | 0 | -177.9 | -174.8 | -74.4 | 0 | 0 | 108.9 | |||||
| 2 | A | 46.2 | Very low | 52.5 | Low | 107 Ų | 107 | 139.3 Ų | 139.3 | 88% | 0.884 | 77% | 0.771 | S | S | * | * | trans | -175.5 | 83.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | A | 54.8 | Low | 52.4 | Low | 90 Ų | 90 | 144.6 Ų | 144.6 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -147.7 | 29.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 4 | I | 53.1 | Low | 52.3 | Low | 152 Ų | 152 | 144 Ų | 144 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | trans | -122.8 | 35.7 | -169.8 | -36.2 | -177.8 | 0 | 0 | 0 | 112 | ||||
| 5 | A | 53.3 | Low | 51.8 | Low | 83 Ų | 83 | 140 Ų | 140 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -118.5 | -8.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 6 | S | 54.6 | Low | 51.7 | Low | 101 Ų | 101 | 146.1 Ų | 146.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -92.8 | -19.2 | -171 | -38.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 7 | S | 53.5 | Low | 51.6 | Low | 77 Ų | 77 | 147.1 Ų | 147.1 | 54% | 0.538 | 77% | 0.766 | S | S | . | * | S | Bend | trans | -83.9 | -30.4 | -169.2 | 45.2 | 0 | 0 | 0 | 0 | 114.5 | I9 R10 | S7-I9 PolarHBondContact O-N 3.37Å; S7-R10 PolarHBondContact O-N 3.06Å |
| 8 | L | 55.6 | Low | 51.5 | Low | 129 Ų | 129 | 144.7 Ų | 144.7 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -13.7 | -174.2 | -75.7 | 167.2 | 0 | 0 | 0 | 114.8 | ||
| 9 | I | 55.8 | Low | 51.1 | Low | 142 Ų | 142 | 145.5 Ų | 145.5 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -26 | -177.8 | -61.7 | 176.9 | 0 | 0 | 0 | 112.3 | S7 | S7-I9 PolarHBondContact O-N 3.37Š|
| 10 | R | 56.2 | Low | 50.5 | Low | 211 Ų | 211 | 142.4 Ų | 142.4 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -34.3 | -178.6 | -82.5 | -171.8 | 172.9 | -162.7 | -1.6 | 114.1 | S7 K12 R13 | S7-R10 PolarHBondContact O-N 3.06Å; R10-K12 VanDerWaalsContact C-N 3.28Å; R10-K12 PolarHBondContact O-N 3.44Å; R10-R13 PolarHBondContact O-N 3.46Å |
| 11 | Q | 53.6 | Low | 49.9 | Very low | 136 Ų | 136 | 142 Ų | 142 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -63.2 | -31.5 | -178.6 | -76.3 | -179.4 | -34.2 | 0 | 0 | 113.3 | R13 Q14 | Q11-R13 PolarHBondContact O-N 3.23Å; Q11-Q14 PolarHBondContact O-N 3.02Å |
| 12 | K | 50 | Low | 49.9 | Very low | 193 Ų | 193 | 142.2 Ų | 142.2 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -73.9 | -4.8 | -177.3 | -146.7 | 172.9 | -173.6 | 175.4 | 0 | 114.6 | R10 | R10-K12 VanDerWaalsContact C-N 3.28Å; R10-K12 PolarHBondContact O-N 3.44Å |
| 13 | R | 51.7 | Low | 49.4 | Very low | 208 Ų | 208 | 143.5 Ų | 143.5 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -96.2 | -33.8 | 172.2 | -114.1 | -179.7 | 177.7 | 176.5 | -1.8 | 113.4 | R10 Q11 A15 R16 | R10-R13 PolarHBondContact O-N 3.46Å; Q11-R13 PolarHBondContact O-N 3.23Å; R13-A15 VanDerWaalsContact C-N 3.34Å; R13-A15 PolarHBondContact O-N 3.38Å; R13-R16 PolarHBondContact O-N 3.38Å |
| 14 | Q | 50.8 | Low | 48.5 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -72.6 | -24.8 | -176.5 | -70.9 | 177.3 | -44.4 | 0 | 0 | 113.4 | Q11 R16 E17 | Q11-Q14 PolarHBondContact O-N 3.02Å; Q14-R16 PolarHBondContact O-N 3.44Å; Q14-E17 PolarHBondContact O-N 3.37Å |
| 15 | A | 44.3 | Very low | 48 | Very low | 84 Ų | 84 | 144 Ų | 144 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 5.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | R13 | R13-A15 VanDerWaalsContact C-N 3.34Å; R13-A15 PolarHBondContact O-N 3.38Å |
| 16 | R | 50.9 | Low | 47.1 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.7 | -5.4 | 173.6 | -106 | -171.8 | 179 | -158.1 | -0.6 | 114.6 | R13 Q14 | R13-R16 PolarHBondContact O-N 3.38Å; Q14-R16 PolarHBondContact O-N 3.44Å |
| 17 | E | 49.3 | Very low | 46.2 | Very low | 162 Ų | 162 | 150.1 Ų | 150.1 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | -4.9 | -171.5 | -68.5 | 173.3 | 167.5 | 0 | 0 | 113.1 | Q14 | Q14-E17 PolarHBondContact O-N 3.37Š|
| 18 | S | 50 | Low | 45.6 | Very low | 104 Ų | 104 | 158.4 Ų | 158.4 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -102.7 | 26.1 | -176.3 | 71.9 | 0 | 0 | 0 | 0 | 115 | ||
| 19 | N | 43.6 | Very low | 44.9 | Very low | 161 Ų | 161 | 163.4 Ų | 163.4 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -126.8 | 71.3 | 172.4 | -167.5 | 37.1 | 0 | 0 | 0 | 109.8 | ||||
| 20 | S | 40.6 | Very low | 44.2 | Very low | 83 Ų | 83 | 162.4 Ų | 162.4 | 58% | 0.58 | 79% | 0.793 | S | S | * | * | trans | -86 | 160.7 | 172.4 | 71.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 21 | D | 37.1 | Very low | 43.3 | Very low | 135 Ų | 135 | 157.7 Ų | 157.7 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | 63.3 | 83.2 | 152 | -46.8 | -43.2 | 0 | 0 | 0 | 119.3 | ||||
| 22 | R | 43.3 | Very low | 42.9 | Very low | 255 Ų | 255 | 157.5 Ų | 157.5 | 96% | 0.962 | 80% | 0.803 | S | S | * | * | -126.2 | 127.6 | 128.1 | -81.3 | -162.7 | 172.7 | -177.1 | -1.4 | 112.5 | |||||
| 23 | V | 35.3 | Very low | 42.3 | Very low | 134 Ų | 134 | 153.5 Ų | 153.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -75.2 | 141.1 | -173.6 | 168.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 24 | S | 36.9 | Very low | 41.5 | Very low | 115 Ų | 115 | 152.6 Ų | 152.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | -178.3 | 154.4 | 120.3 | 47.6 | 0 | 0 | 0 | 0 | 113 | |||||
| 25 | T | 41.8 | Very low | 40.7 | Very low | 137 Ų | 137 | 152.4 Ų | 152.4 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -89.2 | 140.2 | -171.8 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 26 | S | 34.7 | Very low | 40.7 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -141.4 | 137.6 | 157.7 | -164.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 27 | K | 35.8 | Very low | 39.8 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -86.6 | 144.3 | -166.6 | -65.5 | 173.8 | 177.9 | 175.2 | 0 | 110.8 | R29 | K27-R29 PolarHBondContact O-N 3.18Š| ||
| 28 | R | 40.9 | Very low | 38.9 | Very low | 251 Ų | 251 | 150.4 Ų | 150.4 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -51.7 | 131.4 | 158.8 | -78.4 | 179.1 | 168.9 | 179.2 | -3.7 | 109.6 | ||||
| 29 | R | 40.6 | Very low | 38.4 | Very low | 234 Ų | 234 | 152.7 Ų | 152.7 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -138.8 | 147.8 | 158.3 | -87.7 | -169 | 168.5 | 179.8 | -4 | 110.9 | K27 | K27-R29 PolarHBondContact O-N 3.18Š| ||
| 30 | P | 40.1 | Very low | 38.1 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -90.3 | 175.2 | -172.2 | 37.7 | -36.9 | 0 | 0 | 0 | 113.2 | ||||
| 31 | S | 38.8 | Very low | 37.8 | Very low | 113 Ų | 113 | 154.7 Ų | 154.7 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -66.9 | 145.8 | 174.3 | 38.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 32 | P | 44.4 | Very low | 38.1 | Very low | 132 Ų | 132 | 159.8 Ų | 159.8 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -95 | 149 | 170.3 | 35.8 | -31.6 | 0 | 0 | 0 | 112.6 | ||||
| 33 | S | 36.3 | Very low | 38.1 | Very low | 108 Ų | 108 | 154.7 Ų | 154.7 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -128.7 | 136.2 | 173.1 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 34 | K | 35.8 | Very low | 38.2 | Very low | 190 Ų | 190 | 158.3 Ų | 158.3 | 83% | 0.826 | 81% | 0.813 | S | S | * | * | trans | 61.2 | 151 | 167.7 | -72.6 | -177.8 | 165.3 | -167.1 | 0 | 115.7 | ||||
| 35 | D | 34 | Very low | 38.5 | Very low | 131 Ų | 131 | 160.2 Ų | 160.2 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | -166.9 | -168.8 | -0.1 | -107.2 | -28.4 | 0 | 0 | 0 | 104.5 | ||||
| 36 | P | 44.1 | Very low | 38.4 | Very low | 94 Ų | 94 | 156.9 Ų | 156.9 | 61% | 0.61 | 81% | 0.806 | S | S | * | * | cis | -133 | 172.2 | -25.8 | 40.5 | -24.9 | 0 | 0 | 0 | 114.6 | ||||
| 37 | R | 32.5 | Very low | 38.7 | Very low | 244 Ų | 244 | 157.1 Ų | 157.1 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | 63.1 | 154 | 165.4 | -54.2 | 169.8 | -152.7 | -154.9 | 6.6 | 114.1 | ||||
| 38 | S | 30.8 | Very low | 38.9 | Very low | 105 Ų | 105 | 158 Ų | 158 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | cis | -150.2 | 178.8 | -4.6 | 85.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 39 | L | 38.2 | Very low | 38.9 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | cis | -155.4 | 128.9 | 5.5 | -128.2 | 173.1 | 0 | 0 | 0 | 106.1 | ||||
| 40 | C | 37.2 | Very low | 39 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 92% | 0.919 | 80% | 0.798 | S | S | * | * | trans | -158.6 | 112.4 | 158.6 | -148.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 41 | E | 35.3 | Very low | 39 | Very low | 151 Ų | 151 | 151 Ų | 151 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -89.5 | 129.1 | -169.9 | 178.6 | 178.9 | -173.6 | 0 | 0 | 111 | ||||
| 42 | R | 43.8 | Very low | 39.3 | Very low | 242 Ų | 242 | 156.3 Ų | 156.3 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -157.8 | 120.3 | 157.2 | -109.6 | 163.4 | -157.1 | -161.5 | 4.4 | 110.7 | ||||
| 43 | H | 42.8 | Very low | 38.9 | Very low | 148 Ų | 148 | 159.8 Ų | 159.8 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | trans | -60 | 137.6 | -179.4 | -84.3 | -135.6 | 0 | 0 | 0 | 113 | ||||
| 44 | F | 38.3 | Very low | 39 | Very low | 209 Ų | 209 | 160.1 Ų | 160.1 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -141 | 91.3 | 151.2 | -95.8 | -80.5 | 0 | 0 | 0 | 110.2 | ||||
| 45 | L | 43 | Very low | 39.2 | Very low | 156 Ų | 156 | 156.7 Ų | 156.7 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | trans | -73.3 | 145.5 | 149.7 | -61.2 | 163 | 0 | 0 | 0 | 106.1 | ||||
| 46 | G | 38.7 | Very low | 39.6 | Very low | 67 Ų | 67 | 154.2 Ų | 154.2 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | cis | 133.8 | 72.2 | 15.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 47 | V | 41.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 160 Ų | 160 | 78% | 0.782 | 83% | 0.829 | S | S | * | * | trans | -136.9 | 112 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 48 | F | 40 | Very low | 39.9 | Very low | 207 Ų | 207 | 158.1 Ų | 158.1 | 91% | 0.908 | 83% | 0.827 | S | S | * | * | trans | -100.3 | 107.1 | 171 | -81.5 | -87.3 | 0 | 0 | 0 | 110.3 | K50 | F48-K50 PolarHBondContact O-N 3.31Š| ||
| 49 | S | 41.2 | Very low | 40.4 | Very low | 109 Ų | 109 | 164.8 Ų | 164.8 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | trans | -78.6 | 88.2 | 176.2 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | V51 | S49-V51 PolarHBondContact O-N 3.29Š| ||
| 50 | K | 41.6 | Very low | 40.5 | Very low | 206 Ų | 206 | 163.6 Ų | 163.6 | 90% | 0.896 | 84% | 0.838 | S | S | * | * | trans | -83.2 | 104.8 | 175.4 | -174.3 | 173 | -173.1 | 166.9 | 0 | 110.4 | F48 | F48-K50 PolarHBondContact O-N 3.31Š| ||
| 51 | V | 41.6 | Very low | 40.6 | Very low | 142 Ų | 142 | 163.3 Ų | 163.3 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -110.5 | 140 | 173.8 | -170.4 | 0 | 0 | 0 | 0 | 110.8 | S49 | S49-V51 PolarHBondContact O-N 3.29Š| ||
| 52 | R | 44.2 | Very low | 40.7 | Very low | 225 Ų | 225 | 166.9 Ų | 166.9 | 85% | 0.849 | 84% | 0.838 | S | S | * | * | trans | -101.9 | 142 | -158 | -158.4 | -178.8 | -147.8 | 140.6 | -0.4 | 111.8 | C54 | R52-C54 PolarHBondContact O-N 3.47Š| ||
| 53 | F | 36.3 | Very low | 40.7 | Very low | 205 Ų | 205 | 166.7 Ų | 166.7 | 90% | 0.899 | 84% | 0.838 | S | S | * | * | trans | -61.6 | 125.7 | 167.5 | -129.3 | -102.9 | 0 | 0 | 0 | 110.3 | ||||
| 54 | C | 37.6 | Very low | 40.4 | Very low | 116 Ų | 116 | 170.1 Ų | 170.1 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | trans | -134.6 | 113.7 | 168 | -79.7 | 0 | 0 | 0 | 0 | 110.1 | R52 | R52-C54 PolarHBondContact O-N 3.47Š| ||
| 55 | S | 39.7 | Very low | 40.7 | Very low | 117 Ų | 117 | 165.1 Ų | 165.1 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -84 | 123.3 | 179.4 | 38.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 56 | G | 42.7 | Very low | 40.5 | Very low | 79 Ų | 79 | 165.6 Ų | 165.6 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | -122.4 | 82.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | K58 | G56-K58 PolarHBondContact O-N 3.2Š| ||
| 57 | K | 42.9 | Very low | 40.6 | Very low | 216 Ų | 216 | 169.6 Ų | 169.6 | 94% | 0.939 | 84% | 0.837 | S | S | * | * | trans | -75.5 | 112.8 | 171.4 | -73.6 | 177.8 | 178 | 172.8 | 0 | 110.3 | ||||
| 58 | K | 39.7 | Very low | 40.8 | Very low | 205 Ų | 205 | 168 Ų | 168 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | trans | -135.5 | 128.9 | 154.5 | -70.1 | -165.6 | 177.7 | -176.7 | 0 | 110.1 | G56 | G56-K58 PolarHBondContact O-N 3.2Š| ||
| 59 | R | 42.3 | Very low | 41.1 | Very low | 244 Ų | 244 | 163.9 Ų | 163.9 | 92% | 0.921 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 131.1 | -179.5 | -66.8 | 173.6 | 171.4 | 170.7 | -4.5 | 109.9 | ||
| 60 | P | 39.9 | Very low | 41.3 | Very low | 126 Ų | 126 | 167 Ų | 167 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 147.2 | 161.7 | -14.5 | 30.7 | 0 | 0 | 0 | 111.1 | ||
| 61 | V | 40.1 | Very low | 41.4 | Very low | 130 Ų | 130 | 166 Ų | 166 | 79% | 0.788 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 139.4 | -179 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | R63 | V61-R63 PolarHBondContact O-N 3.28Š|
| 62 | R | 36.5 | Very low | 41.7 | Very low | 226 Ų | 226 | 164.4 Ų | 164.4 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -67.3 | 112.4 | 175 | -165.1 | -174.1 | -158.9 | -177.5 | 6.6 | 110 | ||||
| 63 | R | 43.2 | Very low | 41.7 | Very low | 238 Ų | 238 | 159.2 Ų | 159.2 | 90% | 0.898 | 82% | 0.822 | S | S | * | * | trans | -115.9 | 141.6 | 161.1 | -70.4 | -172.5 | 177.4 | 177.7 | -1 | 109 | V61 | V61-R63 PolarHBondContact O-N 3.28Š| ||
| 64 | R | 36.9 | Very low | 41.8 | Very low | 221 Ų | 221 | 158 Ų | 158 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -95.9 | 164.5 | 176.8 | -103.2 | -167.4 | -179.3 | -175.8 | 1.4 | 110.1 | ||||
| 65 | P | 45.9 | Very low | 42.2 | Very low | 104 Ų | 104 | 157.7 Ų | 157.7 | 68% | 0.675 | 81% | 0.813 | S | S | * | * | trans | -85.9 | 159.5 | -155.3 | 36.7 | -37.4 | 0 | 0 | 0 | 112.7 | ||||
| 66 | E | 38.8 | Very low | 42.3 | Very low | 165 Ų | 165 | 156.5 Ų | 156.5 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | -151 | 161.4 | 132.8 | -82.4 | -50.9 | 111.8 | 0 | 0 | 106.2 | ||||
| 67 | D | 40.8 | Very low | 42.7 | Very low | 151 Ų | 151 | 160.8 Ų | 160.8 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | 59 | 72.8 | 168.8 | -54.6 | -34 | 0 | 0 | 0 | 118.6 | ||||
| 68 | A | 45.3 | Very low | 43 | Very low | 95 Ų | 95 | 159.1 Ų | 159.1 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -86.2 | 124.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L70 | A68-L70 PolarHBondContact O-N 3.01Š| ||
| 69 | P | 46.6 | Very low | 43.5 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -62.4 | 135.2 | 172.8 | -21.6 | 32.9 | 0 | 0 | 0 | 111.3 | K71 | P69-K71 PolarHBondContact O-N 3.28Š| ||
| 70 | L | 44.4 | Very low | 43.5 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -54.2 | 112.1 | 174.1 | -74.2 | 157.3 | 0 | 0 | 0 | 109.9 | A68 | A68-L70 PolarHBondContact O-N 3.01Š| ||
| 71 | K | 43.1 | Very low | 44.2 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 131.2 | 168.5 | -74 | 179.4 | 177.6 | 175.4 | 0 | 108.1 | P69 | P69-K71 PolarHBondContact O-N 3.28Š|
| 72 | P | 47.8 | Very low | 45.2 | Very low | 109 Ų | 109 | 152.3 Ų | 152.3 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 148.7 | 168.5 | 26 | -33.4 | 0 | 0 | 0 | 109.1 | Q74 | P72-Q74 PolarHBondContact O-N 3.32Š|
| 73 | P | 44.1 | Very low | 46.5 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -56 | 128.5 | -176.9 | 23.2 | -33.3 | 0 | 0 | 0 | 109.1 | V75 | P73-V75 VanDerWaalsContact C-N 3.25Å; P73-V75 PolarHBondContact O-N 2.81Å |
| 74 | Q | 40 | Very low | 47.7 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | trans | -66.3 | 96.9 | 167.7 | -69.5 | -153.5 | -2.5 | 0 | 0 | 107.4 | P72 S76 | P72-Q74 PolarHBondContact O-N 3.32Å; Q74-S76 PolarHBondContact O-N 3.06Å | ||
| 75 | V | 45.6 | Very low | 50 | Low | 109 Ų | 109 | 132.8 Ų | 132.8 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | trans | -55 | 103.6 | 155.9 | 178.3 | 0 | 0 | 0 | 0 | 104.5 | P73 H77 | P73-V75 VanDerWaalsContact C-N 3.25Å; P73-V75 PolarHBondContact O-N 2.81Å; V75-H77 PolarHBondContact O-N 2.98Å | ||
| 76 | S | 41.8 | Very low | 52.2 | Low | 93 Ų | 93 | 129.4 Ų | 129.4 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | trans | -60.4 | 99.5 | 164.5 | -178.2 | 0 | 0 | 0 | 0 | 104.9 | Q74 K78 | Q74-S76 PolarHBondContact O-N 3.06Å; S76-K78 PolarHBondContact O-N 2.98Å | ||
| 77 | H | 50.3 | Low | 54.9 | Low | 169 Ų | 169 | 128.6 Ų | 128.6 | 78% | 0.782 | 70% | 0.697 | S | S | * | * | trans | -60.5 | 80 | 151.9 | -73.9 | -74.4 | 0 | 0 | 0 | 105.6 | V75 G79 | V75-H77 PolarHBondContact O-N 2.98Å; H77-G79 PolarHBondContact O-N 3.09Å | ||
| 78 | K | 49.6 | Very low | 57.6 | Low | 180 Ų | 180 | 121.6 Ų | 121.6 | 78% | 0.783 | 66% | 0.66 | S | S | * | * | trans | -49 | 99.9 | 147.5 | -75.3 | -174.3 | 176.9 | -178.9 | 0 | 103 | S76 C80 | S76-K78 PolarHBondContact O-N 2.98Å; K78-C80 PolarHBondContact O-N 2.88Å; K78-C80 VanDerWaalsContact O-N 3.07Å | ||
| 79 | G | 49.6 | Very low | 60.1 | Low | 62 Ų | 62 | 119.1 Ų | 119.1 | 64% | 0.639 | 63% | 0.634 | S | S | * | * | trans | -51.1 | 126 | -175.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | H77 R81 | H77-G79 PolarHBondContact O-N 3.09Å; G79-R81 PolarHBondContact O-N 3.02Å | ||
| 80 | C | 44.1 | Very low | 62.6 | Low | 123 Ų | 123 | 114 Ų | 114 | 83% | 0.831 | 60% | 0.6 | S | S | * | * | trans | -57.1 | 99.1 | 175.2 | -66.4 | 0 | 0 | 0 | 0 | 105.9 | K78 L82 | K78-C80 PolarHBondContact O-N 2.88Å; K78-C80 VanDerWaalsContact O-N 3.07Å; C80-L82 VanDerWaalsContact C-N 3.29Å; C80-L82 PolarHBondContact O-N 3.1Å | ||
| 81 | R | 52.8 | Low | 65.2 | Low | 216 Ų | 216 | 105.7 Ų | 105.7 | 82% | 0.815 | 56% | 0.556 | S | S | * | * | trans | -57 | 109.3 | 161.8 | -89.9 | -172 | 168.3 | -136.5 | -0.4 | 103.1 | G79 E83 | G79-R81 PolarHBondContact O-N 3.02Å; R81-E83 PolarHBondContact O-N 3.04Å | ||
| 82 | L | 61.2 | Low | 67.8 | Low | 161 Ų | 161 | 99 Ų | 99 | 84% | 0.843 | 53% | 0.526 | S | S | * | . | trans | -58.2 | 98.7 | 158.5 | -63 | 172.4 | 0 | 0 | 0 | 103.6 | C80 | C80-L82 VanDerWaalsContact C-N 3.29Å; C80-L82 PolarHBondContact O-N 3.1Å | ||
| 83 | E | 64.6 | Low | 70.2 | Confident | 81 Ų | 81 | 93.9 Ų | 93.9 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | trans | -48.9 | 136.2 | 175.8 | -76.3 | -76 | 110.5 | 0 | 0 | 107.4 | R81 Q85 R225 | R81-E83 PolarHBondContact O-N 3.04Å; E83-Q85 WeakPolarHBondContact O-CG 3.3Å; E83-Q85 PolarHBondContact O-N 3.03Å; E83-R225 IonicContact OE2-CZ 2.7Å; E83-R225 IonicContact OE2-NE 3.18Å; E83-R225 PolarHBondContact OE2-NE 3.1Å; E83-R225 IonicContact OE2-NH2 3.79Å; E83-R225 PolarHBondContact OE2-NH2 3.27Å | ||
| 84 | P | 67.8 | Low | 72.8 | Confident | 70 Ų | 70 | 91 Ų | 91 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | trans | -54.5 | 106.1 | -179.9 | -26.9 | 35.4 | 0 | 0 | 0 | 110.7 | E226 | P84-E226 PolarHBondContact O-N 2.78Š| ||
| 85 | Q | 85.3 | Confident | 75.6 | Confident | 124 Ų | 124 | 82.4 Ų | 82.4 | 58% | 0.579 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 110 | 178.3 | -65.1 | -168.8 | 0.6 | 0 | 0 | 108.9 | E83 M223 Y224 | E83-Q85 WeakPolarHBondContact O-CG 3.3Å; E83-Q85 PolarHBondContact O-N 3.03Å; Q85-M223 HydrophobicContact CB-CB 4.33Å; Q85-M223 HydrophobicContact CB-CE 3.48Å; Q85-M223 VanDerWaalsContact CB-CE 3.48Å; Q85-M223 WeakPolarHBondContact O-CE 3.04Å; Q85-Y224 CarbonylContact C-O 3.54Å; Q85-Y224 VanDerWaalsContact CA-O 3.31Å; Q85-Y224 WeakPolarHBondContact CA-O 2.97Å |
| 86 | L | 92.7 | Very high | 78.1 | Confident | 33 Ų | 33 | 80.9 Ų | 80.9 | 17% | 0.173 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.2 | 175.4 | -58.4 | 177.3 | 0 | 0 | 0 | 109.2 | G88 I125 P126 V127 Y224 E226 | L86-G88 PolarHBondContact O-N 2.89Å; L86-I125 HydrophobicContact CB-CG2 4.29Å; L86-I125 HydrophobicContact CD1-CG2 3.76Å; L86-P126 HydrophobicContact CB-CG 4.39Å; L86-P126 WeakPolarHBondContact CD1-O 3.34Å; L86-V127 HydrophobicContact CD1-CG1 4.43Å; L86-Y224 PolarHBondContact N-O 3.26Å; L86-Y224 PolarHBondContact O-N 3.47Å; L86-E226 HydrophobicContact CD1-CB 4.1Å; L86-E226 HydrophobicContact CD1-CG 4.24Å; L86-E226 HydrophobicContact CG-CB 4.34Å |
| 87 | K | 96 | Very high | 80.8 | Confident | 149 Ų | 149 | 78.3 Ų | 78.3 | 65% | 0.648 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 95.8 | 175.4 | -175 | 177.1 | -178.4 | 177.5 | 0 | 109.9 | P126 V221 M223 | K87-P126 WeakPolarHBondContact O-CG 3.33Å; K87-V221 HydrophobicContact CD-CG1 4.27Å; K87-V221 HydrophobicContact CG-CG1 3.85Å; K87-M223 HydrophobicContact CB-CE 4.11Å; K87-M223 HydrophobicContact CB-SD 3.9Å; K87-M223 HydrophobicContact CG-SD 4Å |
| 88 | G | 97 | Very high | 83.1 | Confident | 4 Ų | 4 | 72 Ų | 72 | 4% | 0.041 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -165.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L86 L124 C222 | L86-G88 PolarHBondContact O-N 2.89Å; G88-L124 VanDerWaalsContact CA-O 3.32Å; G88-L124 WeakPolarHBondContact CA-O 3.31Å; G88-C222 PolarHBondContact N-O 3.44Å; G88-C222 PolarHBondContact O-N 3.33Å |
| 89 | I | 98 | Very high | 85.5 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 22% | 0.221 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.7 | 176.2 | 59.9 | 174.5 | 0 | 0 | 0 | 111.4 | T91 L124 P218 E220 V221 Y224 | I89-T91 HydrophobicContact CD1-CG2 4.18Å; I89-T91 HydrophobicContact CG1-CG2 4.3Å; I89-L124 HydrophobicContact CD1-CB 4.39Å; I89-L124 HydrophobicContact CD1-CD2 4.39Å; I89-L124 HydrophobicContact CG1-CB 3.72Å; I89-L124 PolarHBondContact N-O 3.04Å; I89-L124 PolarHBondContact O-N 3.19Å; I89-P218 HydrophobicContact CD1-CB 4.18Å; I89-P218 HydrophobicContact CD1-CG 4.11Å; I89-E220 CarbonylContact C-O 3.51Å; I89-E220 VanDerWaalsContact CA-O 3.27Å; I89-E220 WeakPolarHBondContact CA-O 3.33Å; I89-E220 WeakPolarHBondContact CB-O 3.02Å; I89-V221 HydrophobicContact CG2-CG2 4.13Å; I89-Y224 PolarHBondContact O-OH 3.31Å |
| 90 | V | 98.5 | Very high | 87.8 | Confident | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.085 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.3 | 157 | 178.2 | 0 | 0 | 0 | 0 | 107.2 | F122 V137 I219 E220 Y224 | V90-F122 WeakPolarHBondContact CA-O 3.47Å; V90-V137 HydrophobicContact CG1-CG2 4.23Å; V90-I219 HydrophobicContact CG1-CD1 4.4Å; V90-I219 PolarHBondContact O-N 3.02Å; V90-E220 HydrophobicContact CB-CG 3.93Å; V90-E220 HydrophobicContact CG2-CG 4.15Å; V90-E220 PolarHBondContact N-O 3.12Å; V90-E220 PolarHBondContact O-N 3.08Å; V90-Y224 WeakPolarHBondContact CG2-OH 3.45Å |
| 91 | T | 98.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 153.2 | -172.5 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | I89 L93 F122 L124 R217 | I89-T91 HydrophobicContact CD1-CG2 4.18Å; I89-T91 HydrophobicContact CG1-CG2 4.3Å; T91-L93 HydrophobicContact CG2-CD2 4.19Å; T91-F122 PolarHBondContact N-O 3.19Å; T91-F122 PolarHBondContact O-N 2.82Å; T91-L124 HydrophobicContact CG2-CB 4Å; T91-L124 HydrophobicContact CG2-CD1 4.13Å; T91-L124 HydrophobicContact CG2-CD2 4.35Å; T91-L124 HydrophobicContact CG2-CG 4.39Å; T91-R217 WeakPolarHBondContact CA-O 3.37Å; T91-R217 PolarHBondContact OG1-N 2.82Å; T91-R217 PolarHBondContact OG1-O 2.81Å; T91-R217 VanDerWaalsContact OG1-O 3.1Å |
| 92 | R | 98.6 | Very high | 92.6 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 147.1 | 159.8 | -64.1 | -176.7 | 171.3 | 97.4 | -2.5 | 109.5 | Y100 E115 T120 L121 P216 R217 I219 | R92-Y100 HydrophobicContact CB-CD1 3.9Å; R92-Y100 HydrophobicContact CB-CE1 4.15Å; R92-E115 PolarHBondContact NE-O 2.94Å; R92-E115 PolarHBondContact NH2-O 3.23Å; R92-T120 PolarHBondContact NE-OG1 2.86Å; R92-L121 HydrophobicContact CG-CD2 4.12Å; R92-P216 CarbonylContact O-C 3.54Å; R92-P216 WeakPolarHBondContact O-CA 3.35Å; R92-R217 HydrophobicContact CB-CB 4.36Å; R92-R217 PolarHBondContact N-O 3.4Å; R92-R217 PolarHBondContact O-N 2.78Å; R92-I219 HydrophobicContact CG-CD1 4.37Å |
| 93 | L | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 97.5 | 175.4 | -65.6 | 179.4 | 0 | 0 | 0 | 109.8 | T91 L101 L124 I134 Y175 F214 P216 | T91-L93 HydrophobicContact CG2-CD2 4.19Å; L93-L101 HydrophobicContact CB-CB 4.05Å; L93-L101 HydrophobicContact CB-CD2 4.38Å; L93-L101 HydrophobicContact CD1-CD2 3.92Å; L93-L101 PolarHBondContact O-N 2.8Å; L93-L124 HydrophobicContact CD1-CD1 4.26Å; L93-L124 HydrophobicContact CD2-CD1 4.45Å; L93-I134 HydrophobicContact CD1-CD1 4.33Å; L93-I134 HydrophobicContact CD1-CG2 4.12Å; L93-Y175 HydrophobicContact CD1-CE2 4.1Å; L93-Y175 HydrophobicContact CD2-CE2 4.09Å; L93-Y175 WeakPolarHBondContact CD2-OH 3.31Å; L93-F214 HydrophobicContact CB-CD1 4.18Å; L93-P216 HydrophobicContact CD2-CB 4.13Å; L93-P216 HydrophobicContact CD2-CG 4.13Å |
| 94 | F | 98.8 | Very high | 95.9 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 116.3 | 179.6 | -175 | -108.4 | 0 | 0 | 0 | 110.8 | Y100 F214 V215 | F94-Y100 HydrophobicContact CB-CD1 4.05Å; F94-Y100 HydrophobicContact CB-CE1 3.76Å; F94-Y100 AromaticContact CD2-CD1 3.9Å; F94-Y100 HydrophobicContact CD2-CD1 3.9Å; F94-Y100 HydrophobicContact CD2-CD2 4.29Å; F94-Y100 AromaticContact CD2-CE1 3.58Å; F94-Y100 HydrophobicContact CD2-CE1 3.58Å; F94-Y100 AromaticContact CD2-CE2 4Å; F94-Y100 HydrophobicContact CD2-CE2 4Å; F94-Y100 HydrophobicContact CD2-CG 4.22Å; F94-Y100 AromaticContact CD2-CZ 3.61Å; F94-Y100 HydrophobicContact CE2-CE2 4.31Å; F94-Y100 HydrophobicContact CG-CD1 4.48Å; F94-Y100 HydrophobicContact CG-CE1 4.06Å; F94-F214 CarbonylContact O-C 3.46Å; F94-F214 VanDerWaalsContact O-CA 3.31Å; F94-F214 WeakPolarHBondContact O-CA 3.32Å; F94-V215 PolarHBondContact N-O 2.8Å; F94-V215 PolarHBondContact O-N 3.1Å |
| 95 | S | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 143.1 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | Q97 G98 F99 H213 | S95-Q97 PolarHBondContact O-N 2.72Å; S95-Q97 WeakPolarHBondContact OG-CB 3.38Å; S95-Q97 WeakPolarHBondContact OG-CG 3.48Å; S95-Q97 PolarHBondContact OG-N 3.07Å; S95-G98 PolarHBondContact O-N 2.81Å; S95-F99 WeakPolarHBondContact CB-O 3.46Å; S95-F99 PolarHBondContact N-O 2.84Å; S95-H213 WeakPolarHBondContact CA-O 3.43Å |
| 96 | Q | 98.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 37.9 Ų | 37.9 | 36% | 0.36 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -19.6 | 169.9 | -167.3 | -174.2 | -1.7 | 0 | 0 | 112.3 | G98 Y172 P210 H213 | Q96-G98 PolarHBondContact O-N 2.9Å; Q96-Y172 HydrophobicContact CB-CE1 3.93Å; Q96-Y172 VanDerWaalsContact CD-CZ 3.45Å; Q96-Y172 HydrophobicContact CG-CE1 3.92Å; Q96-Y172 PolarHBondContact NE2-OH 3.39Å; Q96-P210 HydrophobicContact CB-CB 4.26Å; Q96-P210 HydrophobicContact CG-CB 4.18Å; Q96-H213 HydrophobicContact CB-CB 3.9Å; Q96-H213 PolarHBondContact N-O 3.15Å; Q96-H213 PolarHBondContact OE1-ND1 2.83Å |
| 97 | Q | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 36.6 Ų | 36.6 | 19% | 0.187 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -9 | 174.3 | -59.8 | -68.3 | 107.2 | 0 | 0 | 114 | S95 F99 T194 K195 | S95-Q97 PolarHBondContact O-N 2.72Å; S95-Q97 WeakPolarHBondContact OG-CB 3.38Å; S95-Q97 WeakPolarHBondContact OG-CG 3.48Å; S95-Q97 PolarHBondContact OG-N 3.07Å; Q97-F99 HydrophobicContact CB-CD2 4.24Å; Q97-F99 WeakPolarHBondContact O-CD2 3.34Å; Q97-F99 WeakPolarHBondContact O-CE2 3.25Å; Q97-T194 WeakPolarHBondContact CB-O 3.38Å; Q97-T194 WeakPolarHBondContact CG-O 3.33Å; Q97-T194 PolarHBondContact NE2-O 2.7Å; Q97-K195 VanDerWaalsContact NE2-CA 3.28Å; Q97-K195 VanDerWaalsContact NE2-N 3.17Å |
| 98 | G | 98.4 | Very high | 98 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 37% | 0.371 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 24.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S95 Q96 | S95-G98 PolarHBondContact O-N 2.81Å; Q96-G98 PolarHBondContact O-N 2.9Å |
| 99 | F | 98.8 | Very high | 98.1 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 10% | 0.101 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 143 | -178.1 | -60.9 | -97.3 | 0 | 0 | 0 | 110.4 | S95 Q97 G111 S112 K113 L193 K195 | S95-F99 WeakPolarHBondContact CB-O 3.46Å; S95-F99 PolarHBondContact N-O 2.84Å; Q97-F99 HydrophobicContact CB-CD2 4.24Å; Q97-F99 WeakPolarHBondContact O-CD2 3.34Å; Q97-F99 WeakPolarHBondContact O-CE2 3.25Å; F99-G111 VanDerWaalsContact CD1-O 3.32Å; F99-G111 WeakPolarHBondContact CD1-O 3.47Å; F99-S112 CarbonylContact C-O 3.57Å; F99-S112 WeakPolarHBondContact CA-O 3.43Å; F99-K113 HydrophobicContact CD1-CG 3.86Å; F99-K113 HydrophobicContact CE1-CD 4.36Å; F99-K113 HydrophobicContact CE1-CG 3.9Å; F99-L193 HydrophobicContact CB-CD1 4.27Å; F99-K195 WeakPolarHBondContact CE2-O 3.44Å |
| 100 | Y | 98.8 | Very high | 98.1 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 133.3 | 159.1 | -67.9 | -73.4 | 0 | 0 | 0 | 109.1 | R92 F94 Q102 G111 S112 E115 T120 R217 | R92-Y100 HydrophobicContact CB-CD1 3.9Å; R92-Y100 HydrophobicContact CB-CE1 4.15Å; F94-Y100 HydrophobicContact CB-CD1 4.05Å; F94-Y100 HydrophobicContact CB-CE1 3.76Å; F94-Y100 AromaticContact CD2-CD1 3.9Å; F94-Y100 HydrophobicContact CD2-CD1 3.9Å; F94-Y100 HydrophobicContact CD2-CD2 4.29Å; F94-Y100 AromaticContact CD2-CE1 3.58Å; F94-Y100 HydrophobicContact CD2-CE1 3.58Å; F94-Y100 AromaticContact CD2-CE2 4Å; F94-Y100 HydrophobicContact CD2-CE2 4Å; F94-Y100 HydrophobicContact CD2-CG 4.22Å; F94-Y100 AromaticContact CD2-CZ 3.61Å; F94-Y100 HydrophobicContact CE2-CE2 4.31Å; F94-Y100 HydrophobicContact CG-CD1 4.48Å; F94-Y100 HydrophobicContact CG-CE1 4.06Å; Y100-Q102 PolarHBondContact O-N 2.83Å; Y100-G111 CarbonylContact O-C 3.53Å; Y100-G111 VanDerWaalsContact O-CA 3.26Å; Y100-G111 WeakPolarHBondContact O-CA 3.47Å; Y100-S112 PolarHBondContact N-O 3.21Å; Y100-S112 PolarHBondContact O-N 3.32Å; Y100-E115 HydrophobicContact CD2-CB 4.19Å; Y100-E115 HydrophobicContact CE1-CG 4.46Å; Y100-E115 HydrophobicContact CE2-CB 3.53Å; Y100-E115 HydrophobicContact CE2-CG 3.74Å; Y100-E115 PolarHBondContact OH-OE1 2.92Å; Y100-E115 PolarHBondContact OH-OE2 2.98Å; Y100-T120 HydrophobicContact CG-CG2 4.43Å; Y100-R217 PolarHBondContact OH-NE 3.45Å; Y100-R217 PolarHBondContact OH-NH1 3.22Å; Y100-R217 PolarHBondContact OH-NH2 2.85Å |
| 101 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 140.4 | 162.5 | -170.2 | 67.9 | 0 | 0 | 0 | 108.3 | L93 I109 T120 F122 I143 L191 L193 F214 | L93-L101 HydrophobicContact CB-CB 4.05Å; L93-L101 HydrophobicContact CB-CD2 4.38Å; L93-L101 HydrophobicContact CD1-CD2 3.92Å; L93-L101 PolarHBondContact O-N 2.8Å; L101-I109 HydrophobicContact CD1-CG2 4.04Å; L101-T120 WeakPolarHBondContact O-CA 3.27Å; L101-F122 HydrophobicContact CB-CE2 4.03Å; L101-F122 HydrophobicContact CB-CZ 4.41Å; L101-F122 HydrophobicContact CD2-CE1 4.5Å; L101-F122 HydrophobicContact CD2-CE2 4.08Å; L101-F122 HydrophobicContact CD2-CZ 3.96Å; L101-F122 HydrophobicContact CG-CE2 4.01Å; L101-F122 HydrophobicContact CG-CZ 3.89Å; L101-F122 WeakPolarHBondContact O-CE2 3.36Å; L101-I143 HydrophobicContact CD2-CD1 3.67Å; L101-L191 HydrophobicContact CD2-CD2 4.15Å; L101-L193 HydrophobicContact CD1-CD1 4.42Å; L101-L193 HydrophobicContact CD1-CD2 4.08Å; L101-F214 HydrophobicContact CB-CE1 4.43Å |
| 102 | Q | 98.3 | Very high | 98 | Very high | 17 Ų | 17 | 33.1 Ų | 33.1 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.2 | -179.8 | -179 | 177.5 | -95.5 | 0 | 0 | 109.7 | Y100 Q104 I109 D110 S112 S117 N119 T120 | Y100-Q102 PolarHBondContact O-N 2.83Å; Q102-Q104 HydrophobicContact CG-CG 4.49Å; Q102-I109 WeakPolarHBondContact O-CA 3.17Å; Q102-D110 WeakPolarHBondContact CB-OD1 3.26Å; Q102-D110 PolarHBondContact N-O 3.37Å; Q102-D110 PolarHBondContact NE2-OD1 3.29Å; Q102-D110 PolarHBondContact O-N 3.19Å; Q102-D110 VanDerWaalsContact O-N 3.1Å; Q102-S112 VanDerWaalsContact OE1-CB 3.32Å; Q102-S117 PolarHBondContact OE1-OG 3.39Å; Q102-N119 WeakPolarHBondContact CA-O 3.42Å; Q102-N119 HydrophobicContact CG-CB 3.5Å; Q102-T120 HydrophobicContact CB-CG2 4.33Å |
| 103 | M | 98.4 | Very high | 98 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 115.8 | 166.8 | -178.8 | 178.9 | -77.6 | 0 | 0 | 108.9 | T108 I109 N119 F122 S139 F141 I143 | M103-T108 WeakPolarHBondContact CA-O 3.33Å; M103-I109 HydrophobicContact CE-CD1 3.95Å; M103-I109 HydrophobicContact CE-CG1 3.88Å; M103-N119 PolarHBondContact N-O 3.29Å; M103-N119 WeakPolarHBondContact O-CB 3.32Å; M103-F122 HydrophobicContact CB-CE1 3.86Å; M103-F122 HydrophobicContact CB-CZ 3.96Å; M103-S139 PolarHBondContact SD-OG 3.12Å; M103-F141 HydrophobicContact CE-CB 4.45Å; M103-F141 HydrophobicContact SD-CB 3.81Å; M103-I143 HydrophobicContact CE-CB 4.47Å; M103-I143 HydrophobicContact CE-CD1 4.38Å; M103-I143 HydrophobicContact CE-CG1 3.42Å; M103-I143 VanDerWaalsContact CE-CG1 3.42Å |
| 104 | Q | 97.6 | Very high | 97.9 | Very high | 63 Ų | 63 | 42.4 Ų | 42.4 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | trans | -77.8 | 161.1 | 178.3 | -66 | -170.5 | 60.6 | 0 | 0 | 111.2 | Q102 D106 G107 T108 D110 | Q102-Q104 HydrophobicContact CG-CG 4.49Å; Q104-D106 WeakPolarHBondContact CB-OD1 3.39Å; Q104-D106 PolarHBondContact O-N 2.77Å; Q104-G107 PolarHBondContact O-N 2.9Å; Q104-T108 PolarHBondContact N-O 2.76Å; Q104-D110 PolarHBondContact NE2-OD2 2.99Å; Q104-D110 VanDerWaalsContact NE2-OD2 3.13Å | ||
| 105 | P | 96.5 | Very high | 97.6 | Very high | 79 Ų | 79 | 43.5 Ų | 43.5 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.9 | -179.1 | -24.6 | 35.6 | 0 | 0 | 0 | 115 | G107 | P105-G107 PolarHBondContact O-N 2.92Š|
| 106 | D | 95.6 | Very high | 97.3 | Very high | 108 Ų | 108 | 49.9 Ų | 49.9 | 58% | 0.578 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.4 | 172.6 | 69.9 | -24.6 | 0 | 0 | 0 | 113.3 | Q104 T108 | Q104-D106 WeakPolarHBondContact CB-OD1 3.39Å; Q104-D106 PolarHBondContact O-N 2.77Å; D106-T108 VanDerWaalsContact OD1-CB 3.3Å; D106-T108 WeakPolarHBondContact OD1-CB 3.17Å; D106-T108 PolarHBondContact OD1-N 3.26Å; D106-T108 PolarHBondContact OD1-OG1 2.77Å; D106-T108 WeakPolarHBondContact OD2-CB 3.38Å; D106-T108 PolarHBondContact OD2-OG1 3.18Å |
| 107 | G | 95.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 47 Ų | 47 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | trans | 87.7 | 1.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q104 P105 I109 S153 | Q104-G107 PolarHBondContact O-N 2.9Å; P105-G107 PolarHBondContact O-N 2.92Å; G107-I109 PolarHBondContact O-N 3.15Å; G107-S153 WeakPolarHBondContact CA-OG 3.28Å; G107-S153 WeakPolarHBondContact O-CB 3.45Å; G107-S153 PolarHBondContact O-OG 2.85Å; G107-S153 VanDerWaalsContact O-OG 3.13Å | ||
| 108 | T | 98 | Very high | 97.1 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | trans | -63.4 | 128.7 | 174.2 | -68.4 | 0 | 0 | 0 | 0 | 110.1 | M103 Q104 D106 | M103-T108 WeakPolarHBondContact CA-O 3.33Å; Q104-T108 PolarHBondContact N-O 2.76Å; D106-T108 VanDerWaalsContact OD1-CB 3.3Å; D106-T108 WeakPolarHBondContact OD1-CB 3.17Å; D106-T108 PolarHBondContact OD1-N 3.26Å; D106-T108 PolarHBondContact OD1-OG1 2.77Å; D106-T108 WeakPolarHBondContact OD2-CB 3.38Å; D106-T108 PolarHBondContact OD2-OG1 3.18Å | ||
| 109 | I | 98.5 | Very high | 97.1 | Very high | 14 Ų | 14 | 48.7 Ų | 48.7 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.4 | 179 | -53.1 | 168.5 | 0 | 0 | 0 | 108.6 | L101 Q102 M103 G107 I143 V199 | L101-I109 HydrophobicContact CD1-CG2 4.04Å; Q102-I109 WeakPolarHBondContact O-CA 3.17Å; M103-I109 HydrophobicContact CE-CD1 3.95Å; M103-I109 HydrophobicContact CE-CG1 3.88Å; G107-I109 PolarHBondContact O-N 3.15Å; I109-I143 HydrophobicContact CD1-CB 4.48Å; I109-I143 HydrophobicContact CD1-CG1 4.05Å; I109-I143 HydrophobicContact CD1-CG2 4.22Å; I109-I143 HydrophobicContact CG2-CD1 4.48Å; I109-V199 HydrophobicContact CB-CG1 4.11Å; I109-V199 HydrophobicContact CG2-CG1 3.74Å; I109-V199 WeakPolarHBondContact O-CG1 3.31Å; I109-V199 WeakPolarHBondContact O-CG2 3.49Å |
| 110 | D | 98.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | -165.9 | -178 | 61.9 | 2.1 | 0 | 0 | 0 | 111.8 | Q102 Q104 G197 | Q102-D110 WeakPolarHBondContact CB-OD1 3.26Å; Q102-D110 PolarHBondContact N-O 3.37Å; Q102-D110 PolarHBondContact NE2-OD1 3.29Å; Q102-D110 PolarHBondContact O-N 3.19Å; Q102-D110 VanDerWaalsContact O-N 3.1Å; Q104-D110 PolarHBondContact NE2-OD2 2.99Å; Q104-D110 VanDerWaalsContact NE2-OD2 3.13Å; D110-G197 CarbonylContact C-O 3.44Å |
| 111 | G | 98.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 48.5 Ų | 48.5 | 12% | 0.124 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F99 Y100 G197 | F99-G111 VanDerWaalsContact CD1-O 3.32Å; F99-G111 WeakPolarHBondContact CD1-O 3.47Å; Y100-G111 CarbonylContact O-C 3.53Å; Y100-G111 VanDerWaalsContact O-CA 3.26Å; Y100-G111 WeakPolarHBondContact O-CA 3.47Å; G111-G197 WeakPolarHBondContact CA-O 3.41Å; G111-G197 PolarHBondContact N-O 3.16Å |
| 112 | S | 97.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 154.2 | 178.4 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | F99 Y100 Q102 D114 | F99-S112 CarbonylContact C-O 3.57Å; F99-S112 WeakPolarHBondContact CA-O 3.43Å; Y100-S112 PolarHBondContact N-O 3.21Å; Y100-S112 PolarHBondContact O-N 3.32Å; Q102-S112 VanDerWaalsContact OE1-CB 3.32Å; S112-D114 PolarHBondContact OG-N 2.8Å; S112-D114 VanDerWaalsContact OG-N 3.16Å |
| 113 | K | 97.4 | Very high | 97.1 | Very high | 161 Ų | 161 | 48.7 Ų | 48.7 | 70% | 0.7 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -95.2 | -11.1 | 170.1 | -67.8 | -176.1 | 178.1 | 178.6 | 0 | 112.9 | F99 E115 | F99-K113 HydrophobicContact CD1-CG 3.86Å; F99-K113 HydrophobicContact CE1-CD 4.36Å; F99-K113 HydrophobicContact CE1-CG 3.9Å; K113-E115 PolarHBondContact O-N 2.86Å |
| 114 | D | 96.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | trans | -80 | 107 | 177.6 | -178.6 | 14.7 | 0 | 0 | 0 | 110.3 | S112 N116 S117 | S112-D114 PolarHBondContact OG-N 2.8Å; S112-D114 VanDerWaalsContact OG-N 3.16Å; D114-N116 VanDerWaalsContact C-N 3.25Å; D114-N116 PolarHBondContact O-N 3.3Å; D114-N116 WeakPolarHBondContact OD1-CB 3.44Å; D114-N116 PolarHBondContact OD1-N 3.02Å; D114-S117 WeakPolarHBondContact OD2-CB 3.31Å; D114-S117 PolarHBondContact OD2-N 2.82Å | ||
| 115 | E | 92 | Very high | 97.1 | Very high | 78 Ų | 78 | 46.4 Ų | 46.4 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -67.9 | -25.8 | 174.6 | -172 | 155.4 | 179.8 | 0 | 0 | 112.1 | R92 Y100 K113 R217 | R92-E115 PolarHBondContact NE-O 2.94Å; R92-E115 PolarHBondContact NH2-O 3.23Å; Y100-E115 HydrophobicContact CD2-CB 4.19Å; Y100-E115 HydrophobicContact CE1-CG 4.46Å; Y100-E115 HydrophobicContact CE2-CB 3.53Å; Y100-E115 HydrophobicContact CE2-CG 3.74Å; Y100-E115 PolarHBondContact OH-OE1 2.92Å; Y100-E115 PolarHBondContact OH-OE2 2.98Å; K113-E115 PolarHBondContact O-N 2.86Å; E115-R217 IonicContact OE1-CZ 3.11Å; E115-R217 IonicContact OE1-NH1 3.74Å; E115-R217 PolarHBondContact OE1-NH1 2.64Å; E115-R217 IonicContact OE2-NH1 3Å; E115-R217 PolarHBondContact OE2-NH1 3.26Å |
| 116 | N | 93.7 | Very high | 97.2 | Very high | 133 Ų | 133 | 44.8 Ų | 44.8 | 71% | 0.711 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -86.2 | -13.4 | -174.4 | -61.6 | -37.6 | 0 | 0 | 0 | 113.1 | D114 D118 | D114-N116 VanDerWaalsContact C-N 3.25Å; D114-N116 PolarHBondContact O-N 3.3Å; D114-N116 WeakPolarHBondContact OD1-CB 3.44Å; D114-N116 PolarHBondContact OD1-N 3.02Å; N116-D118 PolarHBondContact O-N 2.9Å |
| 117 | S | 95.9 | Very high | 97.3 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | trans | -61.6 | 120.8 | 177 | 173.8 | 0 | 0 | 0 | 0 | 112 | Q102 D114 N119 T120 | Q102-S117 PolarHBondContact OE1-OG 3.39Å; D114-S117 WeakPolarHBondContact OD2-CB 3.31Å; D114-S117 PolarHBondContact OD2-N 2.82Å; S117-N119 PolarHBondContact O-N 2.91Å; S117-N119 VanDerWaalsContact O-N 3.1Å; S117-N119 WeakPolarHBondContact OG-CB 3.23Å; S117-N119 PolarHBondContact OG-N 3Å; S117-T120 WeakPolarHBondContact O-CB 3.3Å; S117-T120 PolarHBondContact O-N 2.84Å; S117-T120 PolarHBondContact O-OG1 2.82Å | ||
| 118 | D | 97 | Very high | 97.3 | Very high | 86 Ų | 86 | 41.8 Ų | 41.8 | 46% | 0.46 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -57 | -24.8 | 173.6 | -48.3 | -49.3 | 0 | 0 | 0 | 112.7 | N116 T120 L121 K138 | N116-D118 PolarHBondContact O-N 2.9Å; D118-T120 PolarHBondContact O-N 3.07Å; D118-T120 VanDerWaalsContact O-N 3.12Å; D118-L121 HydrophobicContact CB-CD1 4.27Å; D118-L121 VanDerWaalsContact O-CB 3.31Å; D118-L121 WeakPolarHBondContact O-CB 3.5Å; D118-L121 WeakPolarHBondContact O-CG 3.1Å; D118-L121 PolarHBondContact O-N 2.73Å; D118-L121 VanDerWaalsContact O-N 3.08Å; D118-K138 HydrophobicContact CB-CD 4.01Å; D118-K138 IonicContact OD2-NZ 3.02Å; D118-K138 PolarHBondContact OD2-NZ 3.41Å |
| 119 | N | 97.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 46.7 Ų | 46.7 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -66 | -11.7 | 179.3 | -55 | 1.7 | 0 | 0 | 0 | 111.6 | Q102 M103 S117 K138 | Q102-N119 WeakPolarHBondContact CA-O 3.42Å; Q102-N119 HydrophobicContact CG-CB 3.5Å; M103-N119 PolarHBondContact N-O 3.29Å; M103-N119 WeakPolarHBondContact O-CB 3.32Å; S117-N119 PolarHBondContact O-N 2.91Å; S117-N119 VanDerWaalsContact O-N 3.1Å; S117-N119 WeakPolarHBondContact OG-CB 3.23Å; S117-N119 PolarHBondContact OG-N 3Å; N119-K138 WeakPolarHBondContact OD1-CD 3.36Å; N119-K138 PolarHBondContact OD1-NZ 2.86Å; N119-K138 VanDerWaalsContact OD1-NZ 3.11Å |
| 120 | T | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -90.2 | -4.1 | 175.6 | 66.6 | 0 | 0 | 0 | 0 | 113.9 | R92 Y100 L101 Q102 S117 D118 F122 | R92-T120 PolarHBondContact NE-OG1 2.86Å; Y100-T120 HydrophobicContact CG-CG2 4.43Å; L101-T120 WeakPolarHBondContact O-CA 3.27Å; Q102-T120 HydrophobicContact CB-CG2 4.33Å; S117-T120 WeakPolarHBondContact O-CB 3.3Å; S117-T120 PolarHBondContact O-N 2.84Å; S117-T120 PolarHBondContact O-OG1 2.82Å; D118-T120 PolarHBondContact O-N 3.07Å; D118-T120 VanDerWaalsContact O-N 3.12Å; T120-F122 VanDerWaalsContact O-CD2 3.27Å; T120-F122 WeakPolarHBondContact O-CD2 3.38Å; T120-F122 WeakPolarHBondContact O-CE2 3.44Å |
| 121 | L | 98.5 | Very high | 97.3 | Very high | 28 Ų | 28 | 53 Ų | 53 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 126.4 | -178.7 | -59.2 | 174.4 | 0 | 0 | 0 | 110.9 | R92 D118 V137 I219 | R92-L121 HydrophobicContact CG-CD2 4.12Å; D118-L121 HydrophobicContact CB-CD1 4.27Å; D118-L121 VanDerWaalsContact O-CB 3.31Å; D118-L121 WeakPolarHBondContact O-CB 3.5Å; D118-L121 WeakPolarHBondContact O-CG 3.1Å; D118-L121 PolarHBondContact O-N 2.73Å; D118-L121 VanDerWaalsContact O-N 3.08Å; L121-V137 HydrophobicContact CB-CB 3.9Å; L121-V137 HydrophobicContact CB-CG2 3.76Å; L121-V137 WeakPolarHBondContact O-CG2 3.43Å; L121-V137 PolarHBondContact O-N 2.7Å; L121-I219 HydrophobicContact CD2-CD1 3.29Å |
| 122 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 138.9 | 177.3 | -65 | -86.8 | 0 | 0 | 0 | 112.7 | V90 T91 L101 M103 T120 I134 Q135 I143 | V90-F122 WeakPolarHBondContact CA-O 3.47Å; T91-F122 PolarHBondContact N-O 3.19Å; T91-F122 PolarHBondContact O-N 2.82Å; L101-F122 HydrophobicContact CB-CE2 4.03Å; L101-F122 HydrophobicContact CB-CZ 4.41Å; L101-F122 HydrophobicContact CD2-CE1 4.5Å; L101-F122 HydrophobicContact CD2-CE2 4.08Å; L101-F122 HydrophobicContact CD2-CZ 3.96Å; L101-F122 HydrophobicContact CG-CE2 4.01Å; L101-F122 HydrophobicContact CG-CZ 3.89Å; L101-F122 WeakPolarHBondContact O-CE2 3.36Å; M103-F122 HydrophobicContact CB-CE1 3.86Å; M103-F122 HydrophobicContact CB-CZ 3.96Å; T120-F122 VanDerWaalsContact O-CD2 3.27Å; T120-F122 WeakPolarHBondContact O-CD2 3.38Å; T120-F122 WeakPolarHBondContact O-CE2 3.44Å; F122-I134 HydrophobicContact CB-CG2 4.1Å; F122-I134 HydrophobicContact CD1-CG2 3.68Å; F122-I134 HydrophobicContact CE1-CG2 4.4Å; F122-I134 HydrophobicContact CG-CG2 4.01Å; F122-Q135 CarbonylContact C-O 3.53Å; F122-Q135 VanDerWaalsContact CA-O 3.23Å; F122-Q135 WeakPolarHBondContact CA-O 3.46Å; F122-I143 HydrophobicContact CE1-CD1 3.93Å; F122-I143 HydrophobicContact CE1-CG1 4.43Å; F122-I143 HydrophobicContact CZ-CD1 4.47Å |
| 123 | N | 98.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 11% | 0.112 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 117.6 | 161.3 | -57.4 | -32.6 | 0 | 0 | 0 | 108.1 | I125 Q135 V137 Y224 | N123-I125 HydrophobicContact CB-CD1 4.09Å; N123-I125 HydrophobicContact CB-CG1 3.91Å; N123-Q135 HydrophobicContact CB-CB 4.23Å; N123-Q135 PolarHBondContact N-O 3.42Å; N123-Q135 PolarHBondContact ND2-OE1 3Å; N123-Q135 PolarHBondContact O-N 3.4Å; N123-Q135 VanDerWaalsContact O-N 3.08Å; N123-V137 WeakPolarHBondContact OD1-CG2 3.15Å; N123-Y224 HydrophobicContact CB-CE1 3.67Å; N123-Y224 WeakPolarHBondContact CB-OH 3.37Å; N123-Y224 VanDerWaalsContact CG-CE1 3.47Å; N123-Y224 PolarHBondContact OD1-OH 3.34Å |
| 124 | L | 98.5 | Very high | 97.4 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 97.7 | 170.6 | -135.1 | 75.5 | 0 | 0 | 0 | 108.2 | G88 I89 T91 L93 V132 I134 | G88-L124 VanDerWaalsContact CA-O 3.32Å; G88-L124 WeakPolarHBondContact CA-O 3.31Å; I89-L124 HydrophobicContact CD1-CB 4.39Å; I89-L124 HydrophobicContact CD1-CD2 4.39Å; I89-L124 HydrophobicContact CG1-CB 3.72Å; I89-L124 PolarHBondContact N-O 3.04Å; I89-L124 PolarHBondContact O-N 3.19Å; T91-L124 HydrophobicContact CG2-CB 4Å; T91-L124 HydrophobicContact CG2-CD1 4.13Å; T91-L124 HydrophobicContact CG2-CD2 4.35Å; T91-L124 HydrophobicContact CG2-CG 4.39Å; L93-L124 HydrophobicContact CD1-CD1 4.26Å; L93-L124 HydrophobicContact CD2-CD1 4.45Å; L124-V132 HydrophobicContact CG-CB 4.36Å; L124-V132 HydrophobicContact CG-CG1 4.37Å; L124-V132 HydrophobicContact CG-CG2 4.45Å; L124-I134 HydrophobicContact CD1-CB 4.44Å; L124-I134 HydrophobicContact CD1-CD1 4.43Å; L124-I134 HydrophobicContact CD1-CG1 3.9Å; L124-I134 HydrophobicContact CD1-CG2 4.16Å |
| 125 | I | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.2 | -170 | -51.8 | 177 | 0 | 0 | 0 | 109.1 | L86 N123 V127 V132 A133 Y224 P227 | L86-I125 HydrophobicContact CB-CG2 4.29Å; L86-I125 HydrophobicContact CD1-CG2 3.76Å; N123-I125 HydrophobicContact CB-CD1 4.09Å; N123-I125 HydrophobicContact CB-CG1 3.91Å; I125-V127 HydrophobicContact CG2-CG1 4.23Å; I125-V127 PolarHBondContact O-N 3.41Å; I125-V127 VanDerWaalsContact O-N 3.15Å; I125-V132 CarbonylContact O-C 3.47Å; I125-V132 VanDerWaalsContact O-CA 3.25Å; I125-V132 WeakPolarHBondContact O-CA 3.42Å; I125-A133 HydrophobicContact CB-CB 4.37Å; I125-A133 PolarHBondContact N-O 2.91Å; I125-A133 PolarHBondContact O-N 2.84Å; I125-Y224 HydrophobicContact CD1-CD1 3.8Å; I125-Y224 HydrophobicContact CD1-CE1 4.26Å; I125-Y224 HydrophobicContact CD1-CG 4.01Å; I125-Y224 HydrophobicContact CG1-CD1 3.97Å; I125-Y224 HydrophobicContact CG1-CD2 4.01Å; I125-Y224 HydrophobicContact CG1-CE1 4.22Å; I125-Y224 HydrophobicContact CG1-CE2 4.24Å; I125-Y224 HydrophobicContact CG1-CG 3.86Å; I125-Y224 HydrophobicContact CG2-CD2 4.42Å; I125-Y224 HydrophobicContact CG2-CG 4.27Å; I125-P227 HydrophobicContact CG2-CG 4.48Å |
| 126 | P | 98.1 | Very high | 97.8 | Very high | 46 Ų | 46 | 38.2 Ų | 38.2 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 103.3 | -178.5 | 30 | -33.8 | 0 | 0 | 0 | 111.2 | L86 K87 | L86-P126 HydrophobicContact CB-CG 4.39Å; L86-P126 WeakPolarHBondContact CD1-O 3.34Å; K87-P126 WeakPolarHBondContact O-CG 3.33Å |
| 127 | V | 97.2 | Very high | 98 | Very high | 13 Ų | 13 | 34.9 Ų | 34.9 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 20.8 | -178.8 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | L86 I125 V131 A133 F157 R162 P227 | L86-V127 HydrophobicContact CD1-CG1 4.43Å; I125-V127 HydrophobicContact CG2-CG1 4.23Å; I125-V127 PolarHBondContact O-N 3.41Å; I125-V127 VanDerWaalsContact O-N 3.15Å; V127-V131 HydrophobicContact CG2-CB 4.46Å; V127-V131 HydrophobicContact CG2-CG1 3.86Å; V127-V131 PolarHBondContact N-O 2.89Å; V127-A133 HydrophobicContact CG1-CB 3.98Å; V127-A133 HydrophobicContact CG2-CB 4.44Å; V127-F157 HydrophobicContact CB-CZ 4.12Å; V127-F157 HydrophobicContact CG1-CE2 4.42Å; V127-F157 HydrophobicContact CG1-CZ 3.92Å; V127-F157 HydrophobicContact CG2-CZ 4.05Å; V127-R162 HydrophobicContact CG2-CG 4.26Å; V127-R162 PolarHBondContact O-NH2 3.03Å; V127-P227 HydrophobicContact CG1-CG 4.38Å |
| 128 | G | 96.5 | Very high | 98 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.7 | 174.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R130 V131 | G128-R130 PolarHBondContact O-N 3.22Å; G128-V131 PolarHBondContact N-O 3.19Å; G128-V131 PolarHBondContact O-N 2.92Å |
| 129 | L | 96.9 | Very high | 98 | Very high | 164 Ų | 164 | 36.3 Ų | 36.3 | 86% | 0.859 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 108.8 | 177.6 | 177.5 | 63.1 | 0 | 0 | 0 | 110.7 | V131 | L129-V131 PolarHBondContact O-N 2.85Š|
| 130 | R | 97.6 | Very high | 98 | Very high | 152 Ų | 152 | 36.6 Ų | 36.6 | 57% | 0.574 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 30.8 | -174.1 | -57.6 | -62.2 | -171 | 172.7 | 0.6 | 113 | G128 K164 E165 | G128-R130 PolarHBondContact O-N 3.22Å; R130-K164 CarbonylContact O-C 3.6Å; R130-K164 VanDerWaalsContact O-CA 3.3Å; R130-K164 WeakPolarHBondContact O-CA 3.23Å; R130-E165 HydrophobicContact CB-CG 4.08Å; R130-E165 WeakPolarHBondContact CD-OE1 3.34Å; R130-E165 IonicContact CZ-OE1 3.7Å; R130-E165 IonicContact NE-OE1 3.95Å; R130-E165 IonicContact NH1-OE1 2.81Å; R130-E165 PolarHBondContact NH1-OE1 3.13Å; R130-E165 WeakPolarHBondContact O-CG 3.28Å; R130-E165 PolarHBondContact O-N 3.45Å |
| 131 | V | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.4 | 174.1 | -174 | 0 | 0 | 0 | 0 | 109 | V127 G128 L129 R162 F163 T178 | V127-V131 HydrophobicContact CG2-CB 4.46Å; V127-V131 HydrophobicContact CG2-CG1 3.86Å; V127-V131 PolarHBondContact N-O 2.89Å; G128-V131 PolarHBondContact N-O 3.19Å; G128-V131 PolarHBondContact O-N 2.92Å; L129-V131 PolarHBondContact O-N 2.85Å; V131-R162 HydrophobicContact CG1-CB 3.87Å; V131-F163 CarbonylContact C-O 3.57Å; V131-F163 WeakPolarHBondContact CA-O 3.41Å; V131-T178 HydrophobicContact CG1-CG2 3.92Å; V131-T178 HydrophobicContact CG2-CG2 4.16Å |
| 132 | V | 98.8 | Very high | 98 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149.1 | 179.3 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | L124 I125 I134 F163 E165 Y175 | L124-V132 HydrophobicContact CG-CB 4.36Å; L124-V132 HydrophobicContact CG-CG1 4.37Å; L124-V132 HydrophobicContact CG-CG2 4.45Å; I125-V132 CarbonylContact O-C 3.47Å; I125-V132 VanDerWaalsContact O-CA 3.25Å; I125-V132 WeakPolarHBondContact O-CA 3.42Å; V132-I134 HydrophobicContact CG2-CG1 4.13Å; V132-F163 HydrophobicContact CG2-CB 4.37Å; V132-F163 PolarHBondContact N-O 3.02Å; V132-F163 PolarHBondContact O-N 2.86Å; V132-E165 HydrophobicContact CG1-CG 4.42Å; V132-Y175 HydrophobicContact CG2-CD1 3.91Å; V132-Y175 HydrophobicContact CG2-CE1 3.85Å |
| 133 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 144.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | I125 V127 Y142 F157 | I125-A133 HydrophobicContact CB-CB 4.37Å; I125-A133 PolarHBondContact N-O 2.91Å; I125-A133 PolarHBondContact O-N 2.84Å; V127-A133 HydrophobicContact CG1-CB 3.98Å; V127-A133 HydrophobicContact CG2-CB 4.44Å; A133-Y142 HydrophobicContact CB-CD1 4.04Å; A133-Y142 HydrophobicContact CB-CE1 4.1Å; A133-F157 HydrophobicContact CB-CD2 4.23Å; A133-F157 HydrophobicContact CB-CE2 3.65Å; A133-F157 HydrophobicContact CB-CZ 4.47Å |
| 134 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 111.6 | 178.2 | -49.6 | 179.7 | 0 | 0 | 0 | 106.5 | L93 F122 L124 V132 Y142 I143 F163 Y175 L191 | L93-I134 HydrophobicContact CD1-CD1 4.33Å; L93-I134 HydrophobicContact CD1-CG2 4.12Å; F122-I134 HydrophobicContact CB-CG2 4.1Å; F122-I134 HydrophobicContact CD1-CG2 3.68Å; F122-I134 HydrophobicContact CE1-CG2 4.4Å; F122-I134 HydrophobicContact CG-CG2 4.01Å; L124-I134 HydrophobicContact CD1-CB 4.44Å; L124-I134 HydrophobicContact CD1-CD1 4.43Å; L124-I134 HydrophobicContact CD1-CG1 3.9Å; L124-I134 HydrophobicContact CD1-CG2 4.16Å; V132-I134 HydrophobicContact CG2-CG1 4.13Å; I134-Y142 CarbonylContact O-C 3.57Å; I134-Y142 WeakPolarHBondContact O-CA 3.43Å; I134-I143 HydrophobicContact CB-CB 4.43Å; I134-I143 HydrophobicContact CB-CD1 4.4Å; I134-I143 HydrophobicContact CG2-CD1 3.9Å; I134-I143 HydrophobicContact CG2-CG1 4.39Å; I134-I143 PolarHBondContact O-N 3.1Å; I134-F163 HydrophobicContact CD1-CD2 4.25Å; I134-F163 HydrophobicContact CD1-CG 4.46Å; I134-F163 HydrophobicContact CG1-CD2 4.38Å; I134-Y175 HydrophobicContact CD1-CD1 4.06Å; I134-Y175 HydrophobicContact CD1-CD2 4.34Å; I134-Y175 HydrophobicContact CD1-CE1 4.38Å; I134-Y175 HydrophobicContact CD1-CG 4.04Å; I134-L191 HydrophobicContact CD1-CD2 4.08Å |
| 135 | Q | 98.7 | Very high | 98 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.6 | -175.6 | -172.6 | -165.2 | 29 | 0 | 0 | 109.9 | F122 N123 V137 G140 F141 Y142 | F122-Q135 CarbonylContact C-O 3.53Å; F122-Q135 VanDerWaalsContact CA-O 3.23Å; F122-Q135 WeakPolarHBondContact CA-O 3.46Å; N123-Q135 HydrophobicContact CB-CB 4.23Å; N123-Q135 PolarHBondContact N-O 3.42Å; N123-Q135 PolarHBondContact ND2-OE1 3Å; N123-Q135 PolarHBondContact O-N 3.4Å; N123-Q135 VanDerWaalsContact O-N 3.08Å; Q135-V137 PolarHBondContact O-N 3.45Å; Q135-G140 VanDerWaalsContact CG-O 3.32Å; Q135-G140 WeakPolarHBondContact CG-O 3.43Å; Q135-G140 PolarHBondContact NE2-O 3.49Å; Q135-F141 CarbonylContact C-O 3.5Å; Q135-F141 VanDerWaalsContact CA-O 3.3Å; Q135-F141 WeakPolarHBondContact CA-O 3.26Å; Q135-F141 WeakPolarHBondContact CG-O 3.48Å; Q135-Y142 HydrophobicContact CB-CD1 3.76Å; Q135-Y142 HydrophobicContact CB-CE1 3.85Å; Q135-Y142 HydrophobicContact CB-CG 4.49Å; Q135-Y142 HydrophobicContact CG-CD1 4.07Å; Q135-Y142 HydrophobicContact CG-CE1 4.01Å; Q135-Y142 HydrophobicContact CG-CG 4.43Å |
| 136 | G | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 127.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | K138 G140 F141 | G136-K138 VanDerWaalsContact C-N 3.31Å; G136-K138 PolarHBondContact O-N 3.38Å; G136-G140 WeakPolarHBondContact O-CA 3.31Å; G136-G140 PolarHBondContact O-N 3.49Å; G136-F141 PolarHBondContact N-O 3.11Å |
| 137 | V | 97.8 | Very high | 98 | Very high | 63 Ų | 63 | 38.4 Ų | 38.4 | 38% | 0.382 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -42.1 | -177.4 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | V90 L121 N123 Q135 | V90-V137 HydrophobicContact CG1-CG2 4.23Å; L121-V137 HydrophobicContact CB-CB 3.9Å; L121-V137 HydrophobicContact CB-CG2 3.76Å; L121-V137 WeakPolarHBondContact O-CG2 3.43Å; L121-V137 PolarHBondContact O-N 2.7Å; N123-V137 WeakPolarHBondContact OD1-CG2 3.15Å; Q135-V137 PolarHBondContact O-N 3.45Å |
| 138 | K | 96.6 | Very high | 98 | Very high | 109 Ų | 109 | 43.6 Ų | 43.6 | 47% | 0.474 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -36.8 | -172.8 | -163.4 | -176.9 | -164.1 | 153 | 0 | 114.1 | D118 N119 G136 | D118-K138 HydrophobicContact CB-CD 4.01Å; D118-K138 IonicContact OD2-NZ 3.02Å; D118-K138 PolarHBondContact OD2-NZ 3.41Å; N119-K138 WeakPolarHBondContact OD1-CD 3.36Å; N119-K138 PolarHBondContact OD1-NZ 2.86Å; N119-K138 VanDerWaalsContact OD1-NZ 3.11Å; G136-K138 VanDerWaalsContact C-N 3.31Å; G136-K138 PolarHBondContact O-N 3.38Å |
| 139 | S | 97 | Very high | 98 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -25.7 | -179.9 | 56.5 | 0 | 0 | 0 | 0 | 113 | M103 F141 | M103-S139 PolarHBondContact SD-OG 3.12Å; S139-F141 PolarHBondContact O-N 3Å; S139-F141 PolarHBondContact OG-N 2.82Å |
| 140 | G | 97.4 | Very high | 98.1 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 31% | 0.309 | 20% | 0.198 | S | C | . | . | trans | 74.1 | -4.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q135 G136 | Q135-G140 VanDerWaalsContact CG-O 3.32Å; Q135-G140 WeakPolarHBondContact CG-O 3.43Å; Q135-G140 PolarHBondContact NE2-O 3.49Å; G136-G140 WeakPolarHBondContact O-CA 3.31Å; G136-G140 PolarHBondContact O-N 3.49Å | ||
| 141 | F | 98.6 | Very high | 98.1 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -79.9 | 144 | -179.5 | -53.4 | -32.4 | 0 | 0 | 0 | 112.3 | M103 Q135 G136 S139 E155 | M103-F141 HydrophobicContact CE-CB 4.45Å; M103-F141 HydrophobicContact SD-CB 3.81Å; Q135-F141 CarbonylContact C-O 3.5Å; Q135-F141 VanDerWaalsContact CA-O 3.3Å; Q135-F141 WeakPolarHBondContact CA-O 3.26Å; Q135-F141 WeakPolarHBondContact CG-O 3.48Å; G136-F141 PolarHBondContact N-O 3.11Å; S139-F141 PolarHBondContact O-N 3Å; S139-F141 PolarHBondContact OG-N 2.82Å; F141-E155 HydrophobicContact CD1-CB 4.29Å; F141-E155 HydrophobicContact CD1-CG 3.84Å; F141-E155 HydrophobicContact CE1-CB 4.44Å; F141-E155 HydrophobicContact CE1-CG 3.63Å |
| 142 | Y | 98.8 | Very high | 98.1 | Very high | 25 Ų | 25 | 34 Ų | 34 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 141.9 | 167.9 | -61.4 | -82.3 | 0 | 0 | 0 | 110.5 | A133 I134 Q135 S153 S154 F157 C161 | A133-Y142 HydrophobicContact CB-CD1 4.04Å; A133-Y142 HydrophobicContact CB-CE1 4.1Å; I134-Y142 CarbonylContact O-C 3.57Å; I134-Y142 WeakPolarHBondContact O-CA 3.43Å; Q135-Y142 HydrophobicContact CB-CD1 3.76Å; Q135-Y142 HydrophobicContact CB-CE1 3.85Å; Q135-Y142 HydrophobicContact CB-CG 4.49Å; Q135-Y142 HydrophobicContact CG-CD1 4.07Å; Q135-Y142 HydrophobicContact CG-CE1 4.01Å; Q135-Y142 HydrophobicContact CG-CG 4.43Å; Y142-S153 CarbonylContact O-C 3.52Å; Y142-S153 WeakPolarHBondContact O-CA 2.89Å; Y142-S154 PolarHBondContact N-O 3.3Å; Y142-S154 PolarHBondContact O-N 2.89Å; Y142-F157 HydrophobicContact CD1-CD2 4.14Å; Y142-F157 HydrophobicContact CD2-CB 4.32Å; Y142-F157 HydrophobicContact CE1-CD2 4.11Å; Y142-F157 HydrophobicContact CE2-CB 3.94Å; Y142-F157 HydrophobicContact CG-CD2 4.43Å; Y142-C161 HydrophobicContact CG-CB 4.48Å |
| 143 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 135.3 | 158.7 | -59.7 | -177.1 | 0 | 0 | 0 | 107.4 | L101 M103 I109 F122 I134 L151 C161 F163 | L101-I143 HydrophobicContact CD2-CD1 3.67Å; M103-I143 HydrophobicContact CE-CB 4.47Å; M103-I143 HydrophobicContact CE-CD1 4.38Å; M103-I143 HydrophobicContact CE-CG1 3.42Å; M103-I143 VanDerWaalsContact CE-CG1 3.42Å; I109-I143 HydrophobicContact CD1-CB 4.48Å; I109-I143 HydrophobicContact CD1-CG1 4.05Å; I109-I143 HydrophobicContact CD1-CG2 4.22Å; I109-I143 HydrophobicContact CG2-CD1 4.48Å; F122-I143 HydrophobicContact CE1-CD1 3.93Å; F122-I143 HydrophobicContact CE1-CG1 4.43Å; F122-I143 HydrophobicContact CZ-CD1 4.47Å; I134-I143 HydrophobicContact CB-CB 4.43Å; I134-I143 HydrophobicContact CB-CD1 4.4Å; I134-I143 HydrophobicContact CG2-CD1 3.9Å; I134-I143 HydrophobicContact CG2-CG1 4.39Å; I134-I143 PolarHBondContact O-N 3.1Å; I143-L151 HydrophobicContact CG2-CD2 4.03Å; I143-C161 WeakPolarHBondContact O-CA 3.42Å; I143-F163 HydrophobicContact CB-CE2 4.34Å; I143-F163 HydrophobicContact CG2-CE2 3.98Å; I143-F163 HydrophobicContact CG2-CZ 3.93Å; I143-F163 WeakPolarHBondContact O-CE2 3.21Å |
| 144 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 159.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L151 Y152 E160 | A144-L151 WeakPolarHBondContact O-CA 3.38Å; A144-Y152 HydrophobicContact CB-CD1 3.91Å; A144-Y152 HydrophobicContact CB-CD2 4.38Å; A144-Y152 HydrophobicContact CB-CE1 3.36Å; A144-Y152 HydrophobicContact CB-CE2 3.9Å; A144-Y152 HydrophobicContact CB-CG 4.37Å; A144-Y152 PolarHBondContact N-O 3.06Å; A144-Y152 PolarHBondContact O-N 2.55Å; A144-E160 WeakPolarHBondContact CA-O 3.23Å; A144-E160 HydrophobicContact CB-CB 4.13Å |
| 145 | M | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 119.3 | 175.1 | -176.5 | -178.5 | -68.6 | 0 | 0 | 111.3 | M150 L151 E160 F163 Y180 W189 | M145-M150 WeakPolarHBondContact CA-O 3.34Å; M145-L151 HydrophobicContact CB-CD2 4.12Å; M145-L151 HydrophobicContact CE-CD2 3.67Å; M145-L151 HydrophobicContact CE-CG 4.25Å; M145-L151 HydrophobicContact CG-CD2 4.5Å; M145-E160 PolarHBondContact N-O 2.99Å; M145-E160 WeakPolarHBondContact O-CB 3.44Å; M145-F163 HydrophobicContact CB-CE1 4.28Å; M145-F163 HydrophobicContact CB-CZ 4.15Å; M145-F163 HydrophobicContact CE-CE1 4.31Å; M145-Y180 VanDerWaalsContact O-CD2 3.28Å; M145-Y180 WeakPolarHBondContact O-CD2 3.4Å; M145-Y180 VanDerWaalsContact O-CE2 3.23Å; M145-Y180 WeakPolarHBondContact O-CE2 3.49Å; M145-W189 HydrophobicContact SD-CB 3.79Å; M145-W189 HydrophobicContact SD-CE3 4.26Å |
| 146 | N | 98 | Very high | 97.9 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 24% | 0.241 | 24% | 0.243 | C | C | . | . | trans | -82.4 | 174.5 | -177 | 80.6 | 5.2 | 0 | 0 | 0 | 114 | E148 G149 M150 Y152 E160 Y180 | N146-E148 PolarHBondContact O-N 2.76Å; N146-E148 VanDerWaalsContact O-N 3.11Å; N146-E148 WeakPolarHBondContact OD1-CA 3.48Å; N146-E148 WeakPolarHBondContact OD1-CB 3.35Å; N146-E148 PolarHBondContact OD1-N 2.85Å; N146-G149 WeakPolarHBondContact O-CA 3.47Å; N146-G149 PolarHBondContact O-N 2.92Å; N146-G149 PolarHBondContact OD1-N 3.11Å; N146-M150 PolarHBondContact N-O 3.01Å; N146-M150 PolarHBondContact OD1-N 3.05Å; N146-Y152 HydrophobicContact CB-CD1 4.2Å; N146-Y152 HydrophobicContact CB-CE1 3.92Å; N146-E160 VanDerWaalsContact CA-OE2 3.23Å; N146-E160 WeakPolarHBondContact CA-OE2 3.3Å; N146-Y180 WeakPolarHBondContact O-CD2 3.43Å | ||
| 147 | G | 97.5 | Very high | 97.9 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | W189 | G147-W189 WeakPolarHBondContact O-CH2 3.46Å; G147-W189 WeakPolarHBondContact O-CZ3 3.47Å |
| 148 | E | 97.3 | Very high | 97.9 | Very high | 122 Ų | 122 | 42.9 Ų | 42.9 | 57% | 0.57 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -5.5 | 170.5 | -57 | -171.5 | -176.3 | 0 | 0 | 113.1 | N146 M150 K201 | N146-E148 PolarHBondContact O-N 2.76Å; N146-E148 VanDerWaalsContact O-N 3.11Å; N146-E148 WeakPolarHBondContact OD1-CA 3.48Å; N146-E148 WeakPolarHBondContact OD1-CB 3.35Å; N146-E148 PolarHBondContact OD1-N 2.85Å; E148-M150 VanDerWaalsContact C-N 3.33Å; E148-K201 IonicContact OE2-NZ 3.77Å |
| 149 | G | 97.3 | Very high | 98 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | 79.9 | 12.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N146 K201 G202 | N146-G149 WeakPolarHBondContact O-CA 3.47Å; N146-G149 PolarHBondContact O-N 2.92Å; N146-G149 PolarHBondContact OD1-N 3.11Å; G149-K201 CarbonylContact O-C 3.57Å; G149-K201 VanDerWaalsContact O-CA 3.26Å; G149-K201 WeakPolarHBondContact O-CA 3.32Å; G149-G202 PolarHBondContact O-N 2.92Å | ||
| 150 | M | 98.2 | Very high | 98.1 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 40% | 0.404 | 21% | 0.214 | S | C | . | . | trans | -72.2 | 136 | 170.3 | -71.8 | -66.9 | -72.1 | 0 | 0 | 109.6 | M145 N146 E148 K201 | M145-M150 WeakPolarHBondContact CA-O 3.34Å; N146-M150 PolarHBondContact N-O 3.01Å; N146-M150 PolarHBondContact OD1-N 3.05Å; E148-M150 VanDerWaalsContact C-N 3.33Å; M150-K201 HydrophobicContact CG-CG 4.4Å; M150-K201 HydrophobicContact SD-CD 4.01Å; M150-K201 WeakPolarHBondContact SD-CE 3.5Å; M150-K201 HydrophobicContact SD-CG 3.54Å; M150-K201 VanDerWaalsContact SD-CG 3.54Å | ||
| 151 | L | 98.4 | Very high | 98.1 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 10% | 0.099 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 140.4 | 166.6 | -68.2 | 164.4 | 0 | 0 | 0 | 108.8 | I143 A144 M145 F163 L191 V199 | I143-L151 HydrophobicContact CG2-CD2 4.03Å; A144-L151 WeakPolarHBondContact O-CA 3.38Å; M145-L151 HydrophobicContact CB-CD2 4.12Å; M145-L151 HydrophobicContact CE-CD2 3.67Å; M145-L151 HydrophobicContact CE-CG 4.25Å; M145-L151 HydrophobicContact CG-CD2 4.5Å; L151-F163 HydrophobicContact CD2-CE1 4.47Å; L151-F163 HydrophobicContact CD2-CZ 4.21Å; L151-L191 HydrophobicContact CD1-CD1 3.47Å; L151-L191 VanDerWaalsContact CD1-CD1 3.47Å; L151-L191 HydrophobicContact CD2-CD1 4.05Å; L151-L191 HydrophobicContact CG-CD1 4.42Å; L151-V199 HydrophobicContact CD1-CB 4.23Å; L151-V199 HydrophobicContact CD1-CG1 4.19Å |
| 152 | Y | 98.4 | Very high | 98.1 | Very high | 74 Ų | 74 | 39.4 Ų | 39.4 | 29% | 0.29 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 163.7 | 177.9 | 73 | -78.6 | 0 | 0 | 0 | 110.5 | A144 N146 E160 | A144-Y152 HydrophobicContact CB-CD1 3.91Å; A144-Y152 HydrophobicContact CB-CD2 4.38Å; A144-Y152 HydrophobicContact CB-CE1 3.36Å; A144-Y152 HydrophobicContact CB-CE2 3.9Å; A144-Y152 HydrophobicContact CB-CG 4.37Å; A144-Y152 PolarHBondContact N-O 3.06Å; A144-Y152 PolarHBondContact O-N 2.55Å; N146-Y152 HydrophobicContact CB-CD1 4.2Å; N146-Y152 HydrophobicContact CB-CE1 3.92Å; Y152-E160 VanDerWaalsContact CE1-OE2 3.29Å; Y152-E160 WeakPolarHBondContact CE1-OE2 3.4Å; Y152-E160 PolarHBondContact OH-OE2 3.14Å |
| 153 | S | 98.3 | Very high | 98.1 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 26% | 0.259 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 137.5 | 173.2 | 50 | 0 | 0 | 0 | 0 | 111 | G107 Y142 | G107-S153 WeakPolarHBondContact CA-OG 3.28Å; G107-S153 WeakPolarHBondContact O-CB 3.45Å; G107-S153 PolarHBondContact O-OG 2.85Å; G107-S153 VanDerWaalsContact O-OG 3.13Å; Y142-S153 CarbonylContact O-C 3.52Å; Y142-S153 WeakPolarHBondContact O-CA 2.89Å |
| 154 | S | 98.2 | Very high | 98.1 | Very high | 19 Ų | 19 | 42.7 Ų | 42.7 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 130.9 | 177.8 | -158.4 | 0 | 0 | 0 | 0 | 111.4 | Y142 V156 | Y142-S154 PolarHBondContact N-O 3.3Å; Y142-S154 PolarHBondContact O-N 2.89Å; S154-V156 VanDerWaalsContact C-N 3.28Å; S154-V156 PolarHBondContact OG-O 3.06Å |
| 155 | E | 96.9 | Very high | 98.1 | Very high | 149 Ų | 149 | 44.5 Ų | 44.5 | 70% | 0.696 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -70.6 | -30.3 | 174.4 | -39.9 | -166.1 | 151.1 | 0 | 0 | 111.7 | F141 | F141-E155 HydrophobicContact CD1-CB 4.29Å; F141-E155 HydrophobicContact CD1-CG 3.84Å; F141-E155 HydrophobicContact CE1-CB 4.44Å; F141-E155 HydrophobicContact CE1-CG 3.63Å |
| 156 | V | 97 | Very high | 98.1 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 38% | 0.376 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -103.1 | 132.9 | -172.3 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | S154 T158 H230 | S154-V156 VanDerWaalsContact C-N 3.28Å; S154-V156 PolarHBondContact OG-O 3.06Å; V156-T158 HydrophobicContact CG1-CG2 4.43Å; V156-T158 PolarHBondContact O-N 3.14Å; V156-H230 HydrophobicContact CG1-CB 3.55Å; V156-H230 VanDerWaalsContact CG1-ND1 3.34Å; V156-H230 WeakPolarHBondContact CG1-ND1 3.05Å |
| 157 | F | 97.9 | Very high | 98.1 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | trans | -75.3 | 111.6 | 177.3 | -178.4 | -111.2 | 0 | 0 | 0 | 111.5 | V127 A133 Y142 C161 R162 P227 L229 H230 | V127-F157 HydrophobicContact CB-CZ 4.12Å; V127-F157 HydrophobicContact CG1-CE2 4.42Å; V127-F157 HydrophobicContact CG1-CZ 3.92Å; V127-F157 HydrophobicContact CG2-CZ 4.05Å; A133-F157 HydrophobicContact CB-CD2 4.23Å; A133-F157 HydrophobicContact CB-CE2 3.65Å; A133-F157 HydrophobicContact CB-CZ 4.47Å; Y142-F157 HydrophobicContact CD1-CD2 4.14Å; Y142-F157 HydrophobicContact CD2-CB 4.32Å; Y142-F157 HydrophobicContact CE1-CD2 4.11Å; Y142-F157 HydrophobicContact CE2-CB 3.94Å; Y142-F157 HydrophobicContact CG-CD2 4.43Å; F157-C161 HydrophobicContact CD2-CB 3.59Å; F157-C161 HydrophobicContact CE2-CB 3.71Å; F157-R162 HydrophobicContact CE2-CG 4.09Å; F157-R162 HydrophobicContact CZ-CG 3.69Å; F157-P227 HydrophobicContact CB-CB 3.81Å; F157-P227 HydrophobicContact CD1-CB 3.57Å; F157-P227 HydrophobicContact CD2-CB 4.23Å; F157-P227 HydrophobicContact CE1-CB 4.15Å; F157-P227 HydrophobicContact CG-CB 3.6Å; F157-L229 HydrophobicContact CD1-CB 4.32Å; F157-L229 HydrophobicContact CD1-CD1 3.93Å; F157-L229 HydrophobicContact CE1-CB 4.41Å; F157-L229 HydrophobicContact CE1-CD1 3.73Å; F157-H230 PolarHBondContact O-N 3.13Å | ||
| 158 | T | 98.1 | Very high | 98.1 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | trans | -118.4 | 169.2 | -179.5 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | V156 E160 C161 | V156-T158 HydrophobicContact CG1-CG2 4.43Å; V156-T158 PolarHBondContact O-N 3.14Å; T158-E160 PolarHBondContact O-N 3.09Å; T158-E160 VanDerWaalsContact O-N 3.11Å; T158-E160 PolarHBondContact OG1-N 3.19Å; T158-C161 PolarHBondContact N-SG 3.47Å; T158-C161 VanDerWaalsContact N-SG 3.45Å; T158-C161 VanDerWaalsContact O-CB 3.3Å; T158-C161 WeakPolarHBondContact O-CB 3.44Å; T158-C161 PolarHBondContact O-N 3Å; T158-C161 PolarHBondContact OG1-SG 2.94Å; T158-C161 VanDerWaalsContact OG1-SG 3.39Å | ||
| 159 | P | 98.1 | Very high | 98 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 23% | 0.234 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -54.2 | -25 | 169.8 | -28.2 | 35 | 0 | 0 | 0 | 114.8 | C161 R162 V179 L229 H230 I232 | P159-C161 VanDerWaalsContact C-N 3.28Å; P159-C161 PolarHBondContact O-N 3.31Å; P159-R162 PolarHBondContact O-N 2.8Å; P159-V179 HydrophobicContact CB-CG2 4.07Å; P159-L229 HydrophobicContact CG-CD1 4.1Å; P159-H230 VanDerWaalsContact CD-O 3.23Å; P159-H230 WeakPolarHBondContact CD-O 3.39Å; P159-I232 HydrophobicContact CB-CD1 4.41Å |
| 160 | E | 98.4 | Very high | 97.9 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -74 | -19.3 | 177.3 | -54.5 | -156 | 151.7 | 0 | 0 | 113.1 | A144 M145 N146 Y152 T158 R162 Y180 I232 | A144-E160 WeakPolarHBondContact CA-O 3.23Å; A144-E160 HydrophobicContact CB-CB 4.13Å; M145-E160 PolarHBondContact N-O 2.99Å; M145-E160 WeakPolarHBondContact O-CB 3.44Å; N146-E160 VanDerWaalsContact CA-OE2 3.23Å; N146-E160 WeakPolarHBondContact CA-OE2 3.3Å; Y152-E160 VanDerWaalsContact CE1-OE2 3.29Å; Y152-E160 WeakPolarHBondContact CE1-OE2 3.4Å; Y152-E160 PolarHBondContact OH-OE2 3.14Å; T158-E160 PolarHBondContact O-N 3.09Å; T158-E160 VanDerWaalsContact O-N 3.11Å; T158-E160 PolarHBondContact OG1-N 3.19Å; E160-R162 PolarHBondContact O-N 3.26Å; E160-Y180 HydrophobicContact CG-CE2 4.07Å; E160-Y180 WeakPolarHBondContact OE1-CE2 3.25Å; E160-Y180 VanDerWaalsContact OE1-CZ 3.24Å; E160-Y180 PolarHBondContact OE1-OH 3.47Å; E160-I232 HydrophobicContact CG-CD1 3.51Å; E160-I232 HydrophobicContact CG-CG1 4.25Å |
| 161 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -79.5 | -4.1 | 175.6 | -55.6 | 0 | 0 | 0 | 0 | 113.1 | Y142 I143 F157 T158 P159 | Y142-C161 HydrophobicContact CG-CB 4.48Å; I143-C161 WeakPolarHBondContact O-CA 3.42Å; F157-C161 HydrophobicContact CD2-CB 3.59Å; F157-C161 HydrophobicContact CE2-CB 3.71Å; T158-C161 PolarHBondContact N-SG 3.47Å; T158-C161 VanDerWaalsContact N-SG 3.45Å; T158-C161 VanDerWaalsContact O-CB 3.3Å; T158-C161 WeakPolarHBondContact O-CB 3.44Å; T158-C161 PolarHBondContact O-N 3Å; T158-C161 PolarHBondContact OG1-SG 2.94Å; T158-C161 VanDerWaalsContact OG1-SG 3.39Å; P159-C161 VanDerWaalsContact C-N 3.28Å; P159-C161 PolarHBondContact O-N 3.31Å |
| 162 | R | 98.6 | Very high | 97.8 | Very high | 80 Ų | 80 | 60 Ų | 60 | 30% | 0.302 | 29% | 0.294 | S | S | . | . | trans | -94 | 114.2 | -174.6 | -61.8 | -178.2 | 91.7 | 174 | 8.7 | 110.7 | V127 V131 F157 P159 E160 T178 | V127-R162 HydrophobicContact CG2-CG 4.26Å; V127-R162 PolarHBondContact O-NH2 3.03Å; V131-R162 HydrophobicContact CG1-CB 3.87Å; F157-R162 HydrophobicContact CE2-CG 4.09Å; F157-R162 HydrophobicContact CZ-CG 3.69Å; P159-R162 PolarHBondContact O-N 2.8Å; E160-R162 PolarHBondContact O-N 3.26Å; R162-T178 HydrophobicContact CB-CG2 4.19Å; R162-T178 WeakPolarHBondContact CB-OG1 3.47Å; R162-T178 PolarHBondContact O-N 3.01Å; R162-T178 PolarHBondContact O-OG1 2.98Å | ||
| 163 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.8 | 176 | -68.7 | -86.8 | 0 | 0 | 0 | 111 | V131 V132 I134 I143 M145 L151 E165 Y175 S176 L191 | V131-F163 CarbonylContact C-O 3.57Å; V131-F163 WeakPolarHBondContact CA-O 3.41Å; V132-F163 HydrophobicContact CG2-CB 4.37Å; V132-F163 PolarHBondContact N-O 3.02Å; V132-F163 PolarHBondContact O-N 2.86Å; I134-F163 HydrophobicContact CD1-CD2 4.25Å; I134-F163 HydrophobicContact CD1-CG 4.46Å; I134-F163 HydrophobicContact CG1-CD2 4.38Å; I143-F163 HydrophobicContact CB-CE2 4.34Å; I143-F163 HydrophobicContact CG2-CE2 3.98Å; I143-F163 HydrophobicContact CG2-CZ 3.93Å; I143-F163 WeakPolarHBondContact O-CE2 3.21Å; M145-F163 HydrophobicContact CB-CE1 4.28Å; M145-F163 HydrophobicContact CB-CZ 4.15Å; M145-F163 HydrophobicContact CE-CE1 4.31Å; L151-F163 HydrophobicContact CD2-CE1 4.47Å; L151-F163 HydrophobicContact CD2-CZ 4.21Å; F163-E165 PolarHBondContact O-N 2.86Å; F163-Y175 HydrophobicContact CB-CD1 4.44Å; F163-S176 CarbonylContact C-O 3.59Å; F163-S176 WeakPolarHBondContact CA-O 3.27Å; F163-L191 HydrophobicContact CE1-CB 4.49Å |
| 164 | K | 98.8 | Very high | 97.9 | Very high | 94 Ų | 94 | 56 Ų | 56 | 41% | 0.409 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 112.6 | 164.9 | 174.9 | 169.1 | -177.9 | 168.2 | 0 | 108.8 | R130 S176 T178 | R130-K164 CarbonylContact O-C 3.6Å; R130-K164 VanDerWaalsContact O-CA 3.3Å; R130-K164 WeakPolarHBondContact O-CA 3.23Å; K164-S176 PolarHBondContact N-O 3.48Å; K164-S176 PolarHBondContact O-N 3.11Å; K164-S176 PolarHBondContact O-OG 3.01Å; K164-T178 HydrophobicContact CB-CG2 4.13Å |
| 165 | E | 98.1 | Very high | 97.9 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 146.9 | 167 | 55.1 | 157.4 | -136.5 | 0 | 0 | 110.2 | R130 V132 F163 V173 I174 Y175 | R130-E165 HydrophobicContact CB-CG 4.08Å; R130-E165 WeakPolarHBondContact CD-OE1 3.34Å; R130-E165 IonicContact CZ-OE1 3.7Å; R130-E165 IonicContact NE-OE1 3.95Å; R130-E165 IonicContact NH1-OE1 2.81Å; R130-E165 PolarHBondContact NH1-OE1 3.13Å; R130-E165 WeakPolarHBondContact O-CG 3.28Å; R130-E165 PolarHBondContact O-N 3.45Å; V132-E165 HydrophobicContact CG1-CG 4.42Å; F163-E165 PolarHBondContact O-N 2.86Å; E165-V173 HydrophobicContact CB-CG1 4.23Å; E165-I174 CarbonylContact C-O 3.46Å; E165-I174 WeakPolarHBondContact CA-O 3.38Å; E165-Y175 HydrophobicContact CB-CD1 4.06Å; E165-Y175 HydrophobicContact CB-CE1 3.96Å |
| 166 | S | 98.4 | Very high | 98 | Very high | 36 Ų | 36 | 48.3 Ų | 48.3 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 150.1 | 173.1 | -71.5 | 0 | 0 | 0 | 0 | 109.6 | V173 I174 | S166-V173 WeakPolarHBondContact O-CA 3.23Å; S166-I174 PolarHBondContact N-O 2.82Å; S166-I174 PolarHBondContact O-N 2.81Å |
| 167 | V | 98.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 45.3 Ų | 45.3 | 47% | 0.467 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 143.6 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 110 | Y172 | V167-Y172 CarbonylContact C-O 3.5Å; V167-Y172 WeakPolarHBondContact CA-O 3.29Å |
| 168 | F | 98.1 | Very high | 98.1 | Very high | 27 Ų | 27 | 47.3 Ų | 47.3 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 132.4 | 171.3 | -175.7 | -105.7 | 0 | 0 | 0 | 109.7 | N170 Y171 Y172 I174 K207 T208 H213 | F168-N170 PolarHBondContact O-N 3.45Å; F168-Y171 PolarHBondContact O-N 3.08Å; F168-Y171 VanDerWaalsContact O-N 3.09Å; F168-Y172 HydrophobicContact CD1-CD2 4.42Å; F168-Y172 PolarHBondContact N-O 2.91Å; F168-Y172 PolarHBondContact O-N 2.91Å; F168-I174 HydrophobicContact CB-CG2 4.02Å; F168-K207 HydrophobicContact CD2-CD 4.45Å; F168-K207 HydrophobicContact CD2-CG 3.94Å; F168-K207 HydrophobicContact CE2-CG 4.26Å; F168-T208 HydrophobicContact CE2-CG2 3.99Å; F168-T208 HydrophobicContact CZ-CG2 4.04Å; F168-H213 AromaticContact CD1-CD2 3.98Å; F168-H213 AromaticContact CD1-CE1 3.44Å; F168-H213 VanDerWaalsContact CD1-CE1 3.44Å; F168-H213 WeakPolarHBondContact CD1-CE1 3.2Å; F168-H213 AromaticContact CD1-NE2 3.26Å; F168-H213 VanDerWaalsContact CD1-NE2 3.26Å; F168-H213 WeakPolarHBondContact CD1-NE2 3.36Å; F168-H213 AromaticContact CE1-CE1 3.43Å; F168-H213 VanDerWaalsContact CE1-CE1 3.43Å; F168-H213 WeakPolarHBondContact CE1-CE1 3.44Å; F168-H213 AromaticContact CE1-NE2 3.49Å; F168-H213 WeakPolarHBondContact CE1-NE2 3.32Å |
| 169 | E | 95.9 | Very high | 98.1 | Very high | 144 Ų | 144 | 49.8 Ų | 49.8 | 67% | 0.673 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 31.9 | -178.2 | -69.5 | 173.3 | 177.3 | 0 | 0 | 114.3 | Y171 | E169-Y171 PolarHBondContact O-N 2.83Å; E169-Y171 VanDerWaalsContact O-N 3.1Å |
| 170 | N | 94.5 | Very high | 98.1 | Very high | 160 Ų | 160 | 49.6 Ų | 49.6 | 86% | 0.856 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 18 | -177.6 | -63.8 | -16.1 | 0 | 0 | 0 | 115.8 | F168 | F168-N170 PolarHBondContact O-N 3.45Š|
| 171 | Y | 96.3 | Very high | 98 | Very high | 150 Ų | 150 | 53.4 Ų | 53.4 | 59% | 0.588 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.9 | -50.2 | -176.7 | -179.7 | -108.6 | 0 | 0 | 0 | 113.2 | F168 E169 V215 | F168-Y171 PolarHBondContact O-N 3.08Å; F168-Y171 VanDerWaalsContact O-N 3.09Å; E169-Y171 PolarHBondContact O-N 2.83Å; E169-Y171 VanDerWaalsContact O-N 3.1Å; Y171-V215 HydrophobicContact CE1-CG2 3.98Å |
| 172 | Y | 98.6 | Very high | 98 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 15% | 0.153 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 144.3 | -178.3 | -61.6 | -69.9 | 0 | 0 | 0 | 111.9 | Q96 V167 F168 H213 V215 | Q96-Y172 HydrophobicContact CB-CE1 3.93Å; Q96-Y172 VanDerWaalsContact CD-CZ 3.45Å; Q96-Y172 HydrophobicContact CG-CE1 3.92Å; Q96-Y172 PolarHBondContact NE2-OH 3.39Å; V167-Y172 CarbonylContact C-O 3.5Å; V167-Y172 WeakPolarHBondContact CA-O 3.29Å; F168-Y172 HydrophobicContact CD1-CD2 4.42Å; F168-Y172 PolarHBondContact N-O 2.91Å; F168-Y172 PolarHBondContact O-N 2.91Å; Y172-H213 HydrophobicContact CD1-CB 3.65Å; Y172-H213 HydrophobicContact CD2-CB 4.17Å; Y172-H213 AromaticContact CD2-CG 3.94Å; Y172-H213 AromaticContact CD2-ND1 3.6Å; Y172-H213 HydrophobicContact CE1-CB 4.19Å; Y172-H213 AromaticContact CE2-ND1 3.85Å; Y172-H213 HydrophobicContact CG-CB 3.63Å; Y172-H213 AromaticContact CG-CG 3.84Å; Y172-H213 AromaticContact CG-ND1 3.99Å; Y172-V215 HydrophobicContact CD1-CG2 3.87Å; Y172-V215 HydrophobicContact CE1-CG2 4.05Å |
| 173 | V | 98.8 | Very high | 97.7 | Very high | 25 Ų | 25 | 61.3 Ų | 61.3 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.8 | 164.9 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | E165 S166 Y175 F214 P216 | E165-V173 HydrophobicContact CB-CG1 4.23Å; S166-V173 WeakPolarHBondContact O-CA 3.23Å; V173-Y175 HydrophobicContact CG1-CD1 4.42Å; V173-Y175 HydrophobicContact CG1-CE1 3.78Å; V173-Y175 HydrophobicContact CG1-CE2 4.03Å; V173-F214 PolarHBondContact N-O 2.96Å; V173-F214 PolarHBondContact O-N 2.97Å; V173-P216 HydrophobicContact CB-CG 4.25Å; V173-P216 HydrophobicContact CG2-CG 3.85Å |
| 174 | I | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.9 | 174.2 | 72.9 | -173.8 | 0 | 0 | 0 | 108.9 | E165 S166 F168 F190 K207 S212 | E165-I174 CarbonylContact C-O 3.46Å; E165-I174 WeakPolarHBondContact CA-O 3.38Å; S166-I174 PolarHBondContact N-O 2.82Å; S166-I174 PolarHBondContact O-N 2.81Å; F168-I174 HydrophobicContact CB-CG2 4.02Å; I174-F190 HydrophobicContact CB-CD1 4.25Å; I174-F190 HydrophobicContact CB-CE1 4.42Å; I174-F190 HydrophobicContact CD1-CD1 4.21Å; I174-F190 HydrophobicContact CD1-CE1 3.55Å; I174-F190 HydrophobicContact CD1-CZ 4.31Å; I174-F190 HydrophobicContact CG1-CD1 4.21Å; I174-F190 HydrophobicContact CG1-CE1 3.92Å; I174-K207 HydrophobicContact CD1-CB 4.16Å; I174-K207 HydrophobicContact CD1-CD 3.65Å; I174-K207 HydrophobicContact CD1-CG 3.54Å; I174-S212 WeakPolarHBondContact CG2-O 3.26Å |
| 175 | Y | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 69.8 Ų | 69.8 | 0% | 0.004 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.2 | -179.4 | -59 | -76.6 | 0 | 0 | 0 | 109.4 | L93 V132 I134 F163 E165 V173 F190 L191 F214 | L93-Y175 HydrophobicContact CD1-CE2 4.1Å; L93-Y175 HydrophobicContact CD2-CE2 4.09Å; L93-Y175 WeakPolarHBondContact CD2-OH 3.31Å; V132-Y175 HydrophobicContact CG2-CD1 3.91Å; V132-Y175 HydrophobicContact CG2-CE1 3.85Å; I134-Y175 HydrophobicContact CD1-CD1 4.06Å; I134-Y175 HydrophobicContact CD1-CD2 4.34Å; I134-Y175 HydrophobicContact CD1-CE1 4.38Å; I134-Y175 HydrophobicContact CD1-CG 4.04Å; F163-Y175 HydrophobicContact CB-CD1 4.44Å; E165-Y175 HydrophobicContact CB-CD1 4.06Å; E165-Y175 HydrophobicContact CB-CE1 3.96Å; V173-Y175 HydrophobicContact CG1-CD1 4.42Å; V173-Y175 HydrophobicContact CG1-CE1 3.78Å; V173-Y175 HydrophobicContact CG1-CE2 4.03Å; Y175-F190 CarbonylContact O-C 3.57Å; Y175-F190 VanDerWaalsContact O-CA 3.26Å; Y175-F190 WeakPolarHBondContact O-CA 3.43Å; Y175-L191 HydrophobicContact CD2-CD2 4.05Å; Y175-L191 HydrophobicContact CG-CD2 4.46Å; Y175-L191 PolarHBondContact O-N 3.3Å; Y175-F214 HydrophobicContact CD2-CD2 4.2Å; Y175-F214 HydrophobicContact CE2-CB 4.2Å; Y175-F214 HydrophobicContact CE2-CD2 4.49Å; Y175-F214 HydrophobicContact CE2-CG 4.46Å |
| 176 | S | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 70.2 Ų | 70.2 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.9 | -177.4 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | F163 K164 T178 W189 | F163-S176 CarbonylContact C-O 3.59Å; F163-S176 WeakPolarHBondContact CA-O 3.27Å; K164-S176 PolarHBondContact N-O 3.48Å; K164-S176 PolarHBondContact O-N 3.11Å; K164-S176 PolarHBondContact O-OG 3.01Å; S176-T178 PolarHBondContact O-N 2.86Å; S176-W189 CarbonylContact C-O 3.58Å; S176-W189 WeakPolarHBondContact CA-O 3.48Å; S176-W189 WeakPolarHBondContact CB-O 3.39Å |
| 177 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 133.8 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | V179 Y180 R181 W189 | S177-V179 VanDerWaalsContact C-N 3.3Å; S177-V179 PolarHBondContact OG-N 3.05Å; S177-Y180 PolarHBondContact OG-N 3.39Å; S177-R181 PolarHBondContact O-NH2 2.85Å; S177-W189 PolarHBondContact N-O 3Å |
| 178 | T | 98.3 | Very high | 97.3 | Very high | 52 Ų | 52 | 69 Ų | 69 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | -29.7 | 170.3 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | V131 R162 K164 S176 | V131-T178 HydrophobicContact CG1-CG2 3.92Å; V131-T178 HydrophobicContact CG2-CG2 4.16Å; R162-T178 HydrophobicContact CB-CG2 4.19Å; R162-T178 WeakPolarHBondContact CB-OG1 3.47Å; R162-T178 PolarHBondContact O-N 3.01Å; R162-T178 PolarHBondContact O-OG1 2.98Å; K164-T178 HydrophobicContact CB-CG2 4.13Å; S176-T178 PolarHBondContact O-N 2.86Å |
| 179 | V | 97.3 | Very high | 97.3 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 40% | 0.4 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -46.3 | -173.8 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | P159 S177 | P159-V179 HydrophobicContact CB-CG2 4.07Å; S177-V179 VanDerWaalsContact C-N 3.3Å; S177-V179 PolarHBondContact OG-N 3.05Å |
| 180 | Y | 98.2 | Very high | 97.4 | Very high | 31 Ų | 31 | 62.6 Ų | 62.6 | 12% | 0.122 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 131.5 | -166 | -58.2 | -59.8 | 0 | 0 | 0 | 114.7 | M145 N146 E160 S177 W189 | M145-Y180 VanDerWaalsContact O-CD2 3.28Å; M145-Y180 WeakPolarHBondContact O-CD2 3.4Å; M145-Y180 VanDerWaalsContact O-CE2 3.23Å; M145-Y180 WeakPolarHBondContact O-CE2 3.49Å; N146-Y180 WeakPolarHBondContact O-CD2 3.43Å; E160-Y180 HydrophobicContact CG-CE2 4.07Å; E160-Y180 WeakPolarHBondContact OE1-CE2 3.25Å; E160-Y180 VanDerWaalsContact OE1-CZ 3.24Å; E160-Y180 PolarHBondContact OE1-OH 3.47Å; S177-Y180 PolarHBondContact OG-N 3.39Å; Y180-W189 HydrophobicContact CG-CE3 4.45Å; Y180-W189 HydrophobicContact CG-CZ3 4.3Å |
| 181 | R | 97.9 | Very high | 97.6 | Very high | 93 Ų | 93 | 55 Ų | 55 | 35% | 0.351 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 160.3 | -175.6 | -53.9 | -172.9 | 174.2 | -99 | -30.5 | 109.6 | S177 Q183 | S177-R181 PolarHBondContact O-NH2 2.85Å; R181-Q183 PolarHBondContact O-N 2.91Å |
| 182 | Q | 97.3 | Very high | 97.7 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | trans | -64.7 | 120.8 | 170.1 | -166.6 | 73.9 | 41.7 | 0 | 0 | 109.5 | E184 G186 R187 | Q182-E184 PolarHBondContact O-N 3.43Å; Q182-G186 VanDerWaalsContact O-CA 3.31Å; Q182-G186 WeakPolarHBondContact O-CA 3.35Å; Q182-G186 PolarHBondContact O-N 2.89Å; Q182-R187 HydrophobicContact CB-CB 4.05Å; Q182-R187 PolarHBondContact N-O 3.24Å | ||
| 183 | Q | 93.3 | Very high | 97.8 | Very high | 181 Ų | 181 | 46 Ų | 46 | 85% | 0.846 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -51.7 | -174.2 | -65.3 | -65.5 | -12.8 | 0 | 0 | 112.9 | R181 | R181-Q183 PolarHBondContact O-N 2.91Š|
| 184 | E | 94.1 | Very high | 97.7 | Very high | 187 Ų | 187 | 46.3 Ų | 46.3 | 87% | 0.874 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -41.2 | -176.1 | -62.4 | 165.1 | 176.1 | 0 | 0 | 113.5 | Q182 | Q182-E184 PolarHBondContact O-N 3.43Š|
| 185 | S | 96.3 | Very high | 97.7 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 60% | 0.601 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -11.4 | -170.2 | 164.3 | 0 | 0 | 0 | 0 | 113.7 | R187 | S185-R187 PolarHBondContact O-N 2.77Š|
| 186 | G | 96.6 | Very high | 97.7 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | trans | 64.9 | 0.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q182 A188 | Q182-G186 VanDerWaalsContact O-CA 3.31Å; Q182-G186 WeakPolarHBondContact O-CA 3.35Å; Q182-G186 PolarHBondContact O-N 2.89Å; G186-A188 PolarHBondContact O-N 2.98Å | ||
| 187 | R | 97.6 | Very high | 97.6 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 29% | 0.287 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 121.4 | -176.4 | -179.7 | 179.7 | 64.5 | 88.7 | -1.6 | 110.6 | Q182 S185 N203 V205 | Q182-R187 HydrophobicContact CB-CB 4.05Å; Q182-R187 PolarHBondContact N-O 3.24Å; S185-R187 PolarHBondContact O-N 2.77Å; R187-N203 VanDerWaalsContact CZ-O 3.3Å; R187-N203 PolarHBondContact NH1-O 2.97Å; R187-N203 PolarHBondContact NH2-O 2.96Å; R187-V205 PolarHBondContact NH1-O 2.79Å |
| 188 | A | 98.3 | Very high | 97.6 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 10% | 0.099 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 154.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | G186 F190 | G186-A188 PolarHBondContact O-N 2.98Å; A188-F190 HydrophobicContact CB-CE1 4.4Å; A188-F190 HydrophobicContact CB-CE2 3.85Å; A188-F190 HydrophobicContact CB-CZ 3.72Å; A188-F190 WeakPolarHBondContact O-CD2 2.99Å; A188-F190 WeakPolarHBondContact O-CE2 3.37Å |
| 189 | W | 98.7 | Very high | 97.6 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 10% | 0.095 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 143 | 169.4 | -63.7 | -1 | 0 | 0 | 0 | 109.6 | M145 G147 S176 S177 Y180 G202 N203 | M145-W189 HydrophobicContact SD-CB 3.79Å; M145-W189 HydrophobicContact SD-CE3 4.26Å; G147-W189 WeakPolarHBondContact O-CH2 3.46Å; G147-W189 WeakPolarHBondContact O-CZ3 3.47Å; S176-W189 CarbonylContact C-O 3.58Å; S176-W189 WeakPolarHBondContact CA-O 3.48Å; S176-W189 WeakPolarHBondContact CB-O 3.39Å; S177-W189 PolarHBondContact N-O 3Å; Y180-W189 HydrophobicContact CG-CE3 4.45Å; Y180-W189 HydrophobicContact CG-CZ3 4.3Å; W189-G202 VanDerWaalsContact CA-O 3.28Å; W189-G202 WeakPolarHBondContact CA-O 3.49Å; W189-G202 WeakPolarHBondContact CB-O 3.35Å; W189-N203 HydrophobicContact CD2-CB 3.84Å; W189-N203 VanDerWaalsContact CE2-CB 3.47Å; W189-N203 HydrophobicContact CG-CB 4.09Å; W189-N203 HydrophobicContact CZ2-CB 3.87Å |
| 190 | F | 98.9 | Very high | 97.7 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.6 | -167.8 | -62.6 | -90.2 | 0 | 0 | 0 | 112.4 | I174 Y175 A188 G202 V205 K207 | I174-F190 HydrophobicContact CB-CD1 4.25Å; I174-F190 HydrophobicContact CB-CE1 4.42Å; I174-F190 HydrophobicContact CD1-CD1 4.21Å; I174-F190 HydrophobicContact CD1-CE1 3.55Å; I174-F190 HydrophobicContact CD1-CZ 4.31Å; I174-F190 HydrophobicContact CG1-CD1 4.21Å; I174-F190 HydrophobicContact CG1-CE1 3.92Å; Y175-F190 CarbonylContact O-C 3.57Å; Y175-F190 VanDerWaalsContact O-CA 3.26Å; Y175-F190 WeakPolarHBondContact O-CA 3.43Å; A188-F190 HydrophobicContact CB-CE1 4.4Å; A188-F190 HydrophobicContact CB-CE2 3.85Å; A188-F190 HydrophobicContact CB-CZ 3.72Å; A188-F190 WeakPolarHBondContact O-CD2 2.99Å; A188-F190 WeakPolarHBondContact O-CE2 3.37Å; F190-G202 PolarHBondContact N-O 3.1Å; F190-G202 VanDerWaalsContact N-O 3.14Å; F190-G202 WeakPolarHBondContact O-CA 3.45Å; F190-V205 HydrophobicContact CB-CB 3.99Å; F190-V205 HydrophobicContact CB-CG1 3.6Å; F190-K207 HydrophobicContact CE1-CB 4.26Å; F190-K207 HydrophobicContact CE2-CB 3.97Å; F190-K207 HydrophobicContact CZ-CB 3.66Å |
| 191 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -58.2 | 139.6 | 159.9 | 173.2 | 59.2 | 0 | 0 | 0 | 108.7 | L101 I134 L151 F163 Y175 F214 | L101-L191 HydrophobicContact CD2-CD2 4.15Å; I134-L191 HydrophobicContact CD1-CD2 4.08Å; L151-L191 HydrophobicContact CD1-CD1 3.47Å; L151-L191 VanDerWaalsContact CD1-CD1 3.47Å; L151-L191 HydrophobicContact CD2-CD1 4.05Å; L151-L191 HydrophobicContact CG-CD1 4.42Å; F163-L191 HydrophobicContact CE1-CB 4.49Å; Y175-L191 HydrophobicContact CD2-CD2 4.05Å; Y175-L191 HydrophobicContact CG-CD2 4.46Å; Y175-L191 PolarHBondContact O-N 3.3Å; L191-F214 HydrophobicContact CD2-CE2 4.36Å; L191-F214 HydrophobicContact CD2-CZ 4.37Å; L191-F214 HydrophobicContact CG-CE2 3.96Å; L191-F214 HydrophobicContact CG-CZ 3.96Å | ||
| 192 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -176.6 | 159.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M200 S211 | G192-M200 PolarHBondContact O-N 2.97Å; G192-S211 CarbonylContact C-O 3.5Å; G192-S211 WeakPolarHBondContact CA-O 3.26Å | ||
| 193 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -116.1 | 153.2 | -178.8 | -59 | -178.7 | 0 | 0 | 0 | 111.7 | F99 L101 Q198 V199 S211 F214 | F99-L193 HydrophobicContact CB-CD1 4.27Å; L101-L193 HydrophobicContact CD1-CD1 4.42Å; L101-L193 HydrophobicContact CD1-CD2 4.08Å; L193-Q198 CarbonylContact C-O 3.49Å; L193-Q198 VanDerWaalsContact CA-O 3.25Å; L193-Q198 WeakPolarHBondContact CA-O 3.24Å; L193-V199 HydrophobicContact CD2-CG1 3.82Å; L193-S211 PolarHBondContact N-O 2.86Å; L193-S211 WeakPolarHBondContact O-CA 3.41Å; L193-S211 WeakPolarHBondContact O-CB 3.4Å; L193-F214 HydrophobicContact CG-CZ 4.43Å |
| 194 | T | 98.6 | Very high | 98 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | trans | -76.4 | -174.5 | 170.9 | 73.6 | 0 | 0 | 0 | 0 | 111.4 | Q97 E196 Q198 M200 | Q97-T194 WeakPolarHBondContact CB-O 3.38Å; Q97-T194 WeakPolarHBondContact CG-O 3.33Å; Q97-T194 PolarHBondContact NE2-O 2.7Å; T194-E196 WeakPolarHBondContact CB-OE2 3.42Å; T194-E196 PolarHBondContact O-N 3.24Å; T194-E196 PolarHBondContact OG1-N 3.38Å; T194-E196 PolarHBondContact OG1-OE2 2.85Å; T194-Q198 HydrophobicContact CG2-CB 4.24Å; T194-Q198 PolarHBondContact N-O 2.93Å; T194-Q198 PolarHBondContact OG1-N 3.21Å; T194-M200 HydrophobicContact CG2-CG 3.48Å; T194-M200 VanDerWaalsContact CG2-CG 3.48Å; T194-M200 HydrophobicContact CG2-SD 4.04Å | ||
| 195 | K | 98.1 | Very high | 98.2 | Very high | 166 Ų | 166 | 51.3 Ų | 51.3 | 72% | 0.722 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -12.7 | 174.8 | -69.7 | -179.1 | 175.3 | -173.8 | 0 | 112.3 | Q97 F99 | Q97-K195 VanDerWaalsContact NE2-CA 3.28Å; Q97-K195 VanDerWaalsContact NE2-N 3.17Å; F99-K195 WeakPolarHBondContact CE2-O 3.44Å |
| 196 | E | 98.2 | Very high | 98.3 | Very high | 126 Ų | 126 | 52.4 Ų | 52.4 | 59% | 0.589 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102 | 9.8 | -177.7 | -51.2 | 70.9 | -151.9 | 0 | 0 | 111.4 | T194 Q198 | T194-E196 WeakPolarHBondContact CB-OE2 3.42Å; T194-E196 PolarHBondContact O-N 3.24Å; T194-E196 PolarHBondContact OG1-N 3.38Å; T194-E196 PolarHBondContact OG1-OE2 2.85Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 2.87Å |
| 197 | G | 97.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 78.2 | 2.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D110 G111 | D110-G197 CarbonylContact C-O 3.44Å; G111-G197 WeakPolarHBondContact CA-O 3.41Å; G111-G197 PolarHBondContact N-O 3.16Å |
| 198 | Q | 98.5 | Very high | 98.4 | Very high | 106 Ų | 106 | 55.4 Ų | 55.4 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | trans | -82.9 | 146.1 | -175.2 | -62.7 | -60.2 | -47.4 | 0 | 0 | 112.4 | L193 T194 E196 | L193-Q198 CarbonylContact C-O 3.49Å; L193-Q198 VanDerWaalsContact CA-O 3.25Å; L193-Q198 WeakPolarHBondContact CA-O 3.24Å; T194-Q198 HydrophobicContact CG2-CB 4.24Å; T194-Q198 PolarHBondContact N-O 2.93Å; T194-Q198 PolarHBondContact OG1-N 3.21Å; E196-Q198 VanDerWaalsContact C-N 3.29Å; E196-Q198 PolarHBondContact O-N 2.87Å | ||
| 199 | V | 98.3 | Very high | 98.4 | Very high | 53 Ų | 53 | 60.3 Ų | 60.3 | 32% | 0.321 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 141.6 | 176.6 | -76.8 | 0 | 0 | 0 | 0 | 112.7 | I109 L151 L193 | I109-V199 HydrophobicContact CB-CG1 4.11Å; I109-V199 HydrophobicContact CG2-CG1 3.74Å; I109-V199 WeakPolarHBondContact O-CG1 3.31Å; I109-V199 WeakPolarHBondContact O-CG2 3.49Å; L151-V199 HydrophobicContact CD1-CB 4.23Å; L151-V199 HydrophobicContact CD1-CG1 4.19Å; L193-V199 HydrophobicContact CD2-CG1 3.82Å |
| 200 | M | 98.4 | Very high | 98.4 | Very high | 34 Ų | 34 | 61.3 Ų | 61.3 | 17% | 0.167 | 29% | 0.288 | C | S | . | . | trans | -107.2 | 143.3 | 179.3 | -65.6 | -170.6 | 73.9 | 0 | 0 | 112.3 | G192 T194 G202 R204 V205 | G192-M200 PolarHBondContact O-N 2.97Å; T194-M200 HydrophobicContact CG2-CG 3.48Å; T194-M200 VanDerWaalsContact CG2-CG 3.48Å; T194-M200 HydrophobicContact CG2-SD 4.04Å; M200-G202 PolarHBondContact O-N 3.43Å; M200-R204 HydrophobicContact CE-CB 4.22Å; M200-V205 HydrophobicContact CB-CG2 3.44Å; M200-V205 VanDerWaalsContact CB-CG2 3.44Å; M200-V205 HydrophobicContact CG-CG2 4.34Å; M200-V205 HydrophobicContact SD-CG2 4.18Å | ||
| 201 | K | 98.4 | Very high | 98.4 | Very high | 75 Ų | 75 | 61.5 Ų | 61.5 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | trans | -55.2 | 125.8 | 164.4 | -76.6 | -165.6 | 171.2 | -162.7 | 0 | 109.8 | E148 G149 M150 N203 R204 V205 | E148-K201 IonicContact OE2-NZ 3.77Å; G149-K201 CarbonylContact O-C 3.57Å; G149-K201 VanDerWaalsContact O-CA 3.26Å; G149-K201 WeakPolarHBondContact O-CA 3.32Å; M150-K201 HydrophobicContact CG-CG 4.4Å; M150-K201 HydrophobicContact SD-CD 4.01Å; M150-K201 WeakPolarHBondContact SD-CE 3.5Å; M150-K201 HydrophobicContact SD-CG 3.54Å; M150-K201 VanDerWaalsContact SD-CG 3.54Å; K201-N203 WeakPolarHBondContact CB-OD1 3.46Å; K201-N203 PolarHBondContact O-N 2.89Å; K201-N203 VanDerWaalsContact O-N 3.09Å; K201-R204 HydrophobicContact CB-CG 4.28Å; K201-R204 WeakPolarHBondContact O-CA 3.39Å; K201-R204 WeakPolarHBondContact O-CB 3.36Å; K201-R204 PolarHBondContact O-N 2.65Å; K201-V205 PolarHBondContact O-N 2.94Å | ||
| 202 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G149 W189 F190 M200 R204 V205 | G149-G202 PolarHBondContact O-N 2.92Å; W189-G202 VanDerWaalsContact CA-O 3.28Å; W189-G202 WeakPolarHBondContact CA-O 3.49Å; W189-G202 WeakPolarHBondContact CB-O 3.35Å; F190-G202 PolarHBondContact N-O 3.1Å; F190-G202 VanDerWaalsContact N-O 3.14Å; F190-G202 WeakPolarHBondContact O-CA 3.45Å; M200-G202 PolarHBondContact O-N 3.43Å; G202-R204 VanDerWaalsContact C-N 3.33Å; G202-V205 PolarHBondContact O-N 3.4Å |
| 203 | N | 98 | Very high | 98.4 | Very high | 51 Ų | 51 | 61.8 Ų | 61.8 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -25 | 172.2 | 70.2 | -15 | 0 | 0 | 0 | 113.4 | R187 W189 K201 | R187-N203 VanDerWaalsContact CZ-O 3.3Å; R187-N203 PolarHBondContact NH1-O 2.97Å; R187-N203 PolarHBondContact NH2-O 2.96Å; W189-N203 HydrophobicContact CD2-CB 3.84Å; W189-N203 VanDerWaalsContact CE2-CB 3.47Å; W189-N203 HydrophobicContact CG-CB 4.09Å; W189-N203 HydrophobicContact CZ2-CB 3.87Å; K201-N203 WeakPolarHBondContact CB-OD1 3.46Å; K201-N203 PolarHBondContact O-N 2.89Å; K201-N203 VanDerWaalsContact O-N 3.09Å |
| 204 | R | 98.3 | Very high | 98.4 | Very high | 177 Ų | 177 | 61.8 Ų | 61.8 | 67% | 0.668 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -27.6 | 175.2 | -61.1 | 174.5 | 72 | -177.8 | 1.6 | 112.1 | M200 K201 G202 | M200-R204 HydrophobicContact CE-CB 4.22Å; K201-R204 HydrophobicContact CB-CG 4.28Å; K201-R204 WeakPolarHBondContact O-CA 3.39Å; K201-R204 WeakPolarHBondContact O-CB 3.36Å; K201-R204 PolarHBondContact O-N 2.65Å; G202-R204 VanDerWaalsContact C-N 3.33Å |
| 205 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -70.7 | 141 | 176 | -172 | 0 | 0 | 0 | 0 | 110 | R187 F190 M200 K201 G202 S212 | R187-V205 PolarHBondContact NH1-O 2.79Å; F190-V205 HydrophobicContact CB-CB 3.99Å; F190-V205 HydrophobicContact CB-CG1 3.6Å; M200-V205 HydrophobicContact CB-CG2 3.44Å; M200-V205 VanDerWaalsContact CB-CG2 3.44Å; M200-V205 HydrophobicContact CG-CG2 4.34Å; M200-V205 HydrophobicContact SD-CG2 4.18Å; K201-V205 PolarHBondContact O-N 2.94Å; G202-V205 PolarHBondContact O-N 3.4Å; V205-S212 VanDerWaalsContact CG1-CB 3.45Å | ||
| 206 | K | 98.3 | Very high | 98.4 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 47% | 0.47 | 27% | 0.269 | S | S | . | . | trans | -130.5 | 134.4 | -176.1 | -67.8 | -179.8 | -179.7 | -178 | 0 | 110.1 | T208 K209 S212 | K206-T208 PolarHBondContact O-N 2.8Å; K206-K209 HydrophobicContact CB-CB 4.27Å; K206-K209 HydrophobicContact CB-CG 3.91Å; K206-K209 HydrophobicContact CD-CG 4.47Å; K206-K209 PolarHBondContact O-N 2.83Å; K206-S212 PolarHBondContact O-OG 3.02Å | ||
| 207 | K | 98.2 | Very high | 98.4 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 41% | 0.413 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | -32.1 | 177.9 | 171.5 | 162.5 | -176.7 | 175.9 | 0 | 115.5 | F168 I174 F190 H213 | F168-K207 HydrophobicContact CD2-CD 4.45Å; F168-K207 HydrophobicContact CD2-CG 3.94Å; F168-K207 HydrophobicContact CE2-CG 4.26Å; I174-K207 HydrophobicContact CD1-CB 4.16Å; I174-K207 HydrophobicContact CD1-CD 3.65Å; I174-K207 HydrophobicContact CD1-CG 3.54Å; F190-K207 HydrophobicContact CE1-CB 4.26Å; F190-K207 HydrophobicContact CE2-CB 3.97Å; F190-K207 HydrophobicContact CZ-CB 3.66Å; K207-H213 PolarHBondContact O-NE2 3.48Å; K207-H213 VanDerWaalsContact O-NE2 3.07Å |
| 208 | T | 98 | Very high | 98.4 | Very high | 92 Ų | 92 | 58.5 Ų | 58.5 | 56% | 0.564 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 16.3 | -176.7 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | F168 K206 | F168-T208 HydrophobicContact CE2-CG2 3.99Å; F168-T208 HydrophobicContact CZ-CG2 4.04Å; K206-T208 PolarHBondContact O-N 2.8Å |
| 209 | K | 98.5 | Very high | 98.3 | Very high | 114 Ų | 114 | 57.7 Ų | 57.7 | 50% | 0.496 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -119.6 | 136.6 | -179.3 | -67.1 | -61.3 | -178.1 | -171.3 | 0 | 110.5 | K206 S211 S212 H213 | K206-K209 HydrophobicContact CB-CB 4.27Å; K206-K209 HydrophobicContact CB-CG 3.91Å; K206-K209 HydrophobicContact CD-CG 4.47Å; K206-K209 PolarHBondContact O-N 2.83Å; K209-S211 PolarHBondContact O-N 2.92Å; K209-S212 PolarHBondContact O-N 3.03Å; K209-S212 PolarHBondContact O-OG 2.87Å; K209-H213 PolarHBondContact O-CD2 3.35Å; K209-H213 PolarHBondContact O-NE2 2.86Å |
| 210 | P | 98.6 | Very high | 98.3 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 31% | 0.305 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -48.9 | -28.5 | 177.9 | -35 | 39.7 | 0 | 0 | 0 | 115.9 | Q96 S212 H213 | Q96-P210 HydrophobicContact CB-CB 4.26Å; Q96-P210 HydrophobicContact CG-CB 4.18Å; P210-S212 PolarHBondContact O-N 2.67Å; P210-S212 VanDerWaalsContact O-N 3.14Å; P210-H213 PolarHBondContact O-N 2.61Å |
| 211 | S | 98.6 | Very high | 98.2 | Very high | 16 Ų | 16 | 63.4 Ų | 63.4 | 11% | 0.112 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -57.5 | -25.9 | 173.8 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | G192 L193 K209 | G192-S211 CarbonylContact C-O 3.5Å; G192-S211 WeakPolarHBondContact CA-O 3.26Å; L193-S211 PolarHBondContact N-O 2.86Å; L193-S211 WeakPolarHBondContact O-CA 3.41Å; L193-S211 WeakPolarHBondContact O-CB 3.4Å; K209-S211 PolarHBondContact O-N 2.92Å |
| 212 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -92.6 | -8.3 | 178.2 | 72.6 | 0 | 0 | 0 | 0 | 114.5 | I174 V205 K206 K209 P210 F214 | I174-S212 WeakPolarHBondContact CG2-O 3.26Å; V205-S212 VanDerWaalsContact CG1-CB 3.45Å; K206-S212 PolarHBondContact O-OG 3.02Å; K209-S212 PolarHBondContact O-N 3.03Å; K209-S212 PolarHBondContact O-OG 2.87Å; P210-S212 PolarHBondContact O-N 2.67Å; P210-S212 VanDerWaalsContact O-N 3.14Å; S212-F214 WeakPolarHBondContact O-CD2 3.24Å |
| 213 | H | 98.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | trans | -95.3 | 122.3 | -167 | -64 | 174.1 | 0 | 0 | 0 | 111 | S95 Q96 F168 Y172 K207 K209 P210 | S95-H213 WeakPolarHBondContact CA-O 3.43Å; Q96-H213 HydrophobicContact CB-CB 3.9Å; Q96-H213 PolarHBondContact N-O 3.15Å; Q96-H213 PolarHBondContact OE1-ND1 2.83Å; F168-H213 AromaticContact CD1-CD2 3.98Å; F168-H213 AromaticContact CD1-CE1 3.44Å; F168-H213 VanDerWaalsContact CD1-CE1 3.44Å; F168-H213 WeakPolarHBondContact CD1-CE1 3.2Å; F168-H213 AromaticContact CD1-NE2 3.26Å; F168-H213 VanDerWaalsContact CD1-NE2 3.26Å; F168-H213 WeakPolarHBondContact CD1-NE2 3.36Å; F168-H213 AromaticContact CE1-CE1 3.43Å; F168-H213 VanDerWaalsContact CE1-CE1 3.43Å; F168-H213 WeakPolarHBondContact CE1-CE1 3.44Å; F168-H213 AromaticContact CE1-NE2 3.49Å; F168-H213 WeakPolarHBondContact CE1-NE2 3.32Å; Y172-H213 HydrophobicContact CD1-CB 3.65Å; Y172-H213 HydrophobicContact CD2-CB 4.17Å; Y172-H213 AromaticContact CD2-CG 3.94Å; Y172-H213 AromaticContact CD2-ND1 3.6Å; Y172-H213 HydrophobicContact CE1-CB 4.19Å; Y172-H213 AromaticContact CE2-ND1 3.85Å; Y172-H213 HydrophobicContact CG-CB 3.63Å; Y172-H213 AromaticContact CG-CG 3.84Å; Y172-H213 AromaticContact CG-ND1 3.99Å; K207-H213 PolarHBondContact O-NE2 3.48Å; K207-H213 VanDerWaalsContact O-NE2 3.07Å; K209-H213 PolarHBondContact O-CD2 3.35Å; K209-H213 PolarHBondContact O-NE2 2.86Å; P210-H213 PolarHBondContact O-N 2.61Å | ||
| 214 | F | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.4 | 175.9 | -63.3 | -93.7 | 0 | 0 | 0 | 111 | L93 F94 L101 V173 Y175 L191 L193 S212 | L93-F214 HydrophobicContact CB-CD1 4.18Å; F94-F214 CarbonylContact O-C 3.46Å; F94-F214 VanDerWaalsContact O-CA 3.31Å; F94-F214 WeakPolarHBondContact O-CA 3.32Å; L101-F214 HydrophobicContact CB-CE1 4.43Å; V173-F214 PolarHBondContact N-O 2.96Å; V173-F214 PolarHBondContact O-N 2.97Å; Y175-F214 HydrophobicContact CD2-CD2 4.2Å; Y175-F214 HydrophobicContact CE2-CB 4.2Å; Y175-F214 HydrophobicContact CE2-CD2 4.49Å; Y175-F214 HydrophobicContact CE2-CG 4.46Å; L191-F214 HydrophobicContact CD2-CE2 4.36Å; L191-F214 HydrophobicContact CD2-CZ 4.37Å; L191-F214 HydrophobicContact CG-CE2 3.96Å; L191-F214 HydrophobicContact CG-CZ 3.96Å; L193-F214 HydrophobicContact CG-CZ 4.43Å; S212-F214 WeakPolarHBondContact O-CD2 3.24Å |
| 215 | V | 98.7 | Very high | 97.5 | Very high | 32 Ų | 32 | 65 Ų | 65 | 19% | 0.194 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 109.1 | 169.7 | -178.5 | 0 | 0 | 0 | 0 | 106.7 | F94 Y171 Y172 R217 | F94-V215 PolarHBondContact N-O 2.8Å; F94-V215 PolarHBondContact O-N 3.1Å; Y171-V215 HydrophobicContact CE1-CG2 3.98Å; Y172-V215 HydrophobicContact CD1-CG2 3.87Å; Y172-V215 HydrophobicContact CE1-CG2 4.05Å; V215-R217 PolarHBondContact O-N 3.25Å |
| 216 | P | 98.3 | Very high | 97.1 | Very high | 35 Ų | 35 | 70.2 Ų | 70.2 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 135.5 | 170.2 | -20.7 | 33.1 | 0 | 0 | 0 | 110.2 | R92 L93 V173 P218 | R92-P216 CarbonylContact O-C 3.54Å; R92-P216 WeakPolarHBondContact O-CA 3.35Å; L93-P216 HydrophobicContact CD2-CB 4.13Å; L93-P216 HydrophobicContact CD2-CG 4.13Å; V173-P216 HydrophobicContact CB-CG 4.25Å; V173-P216 HydrophobicContact CG2-CG 3.85Å; P216-P218 WeakPolarHBondContact O-CD 3.44Å |
| 217 | R | 98 | Very high | 96.8 | Very high | 100 Ų | 100 | 65.9 Ų | 65.9 | 38% | 0.377 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 88.2 | 168.2 | -63.8 | -167.5 | -176.7 | -164.1 | 1.6 | 107.9 | T91 R92 Y100 E115 V215 | T91-R217 WeakPolarHBondContact CA-O 3.37Å; T91-R217 PolarHBondContact OG1-N 2.82Å; T91-R217 PolarHBondContact OG1-O 2.81Å; T91-R217 VanDerWaalsContact OG1-O 3.1Å; R92-R217 HydrophobicContact CB-CB 4.36Å; R92-R217 PolarHBondContact N-O 3.4Å; R92-R217 PolarHBondContact O-N 2.78Å; Y100-R217 PolarHBondContact OH-NE 3.45Å; Y100-R217 PolarHBondContact OH-NH1 3.22Å; Y100-R217 PolarHBondContact OH-NH2 2.85Å; E115-R217 IonicContact OE1-CZ 3.11Å; E115-R217 IonicContact OE1-NH1 3.74Å; E115-R217 PolarHBondContact OE1-NH1 2.64Å; E115-R217 IonicContact OE2-NH1 3Å; E115-R217 PolarHBondContact OE2-NH1 3.26Å; V215-R217 PolarHBondContact O-N 3.25Å |
| 218 | P | 97.8 | Very high | 96.4 | Very high | 88 Ų | 88 | 65.4 Ų | 65.4 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62 | 145 | 179.8 | -20.5 | 33.2 | 0 | 0 | 0 | 111.1 | I89 P216 | I89-P218 HydrophobicContact CD1-CB 4.18Å; I89-P218 HydrophobicContact CD1-CG 4.11Å; P216-P218 WeakPolarHBondContact O-CD 3.44Å |
| 219 | I | 97.4 | Very high | 96 | Very high | 89 Ų | 89 | 65.5 Ų | 65.5 | 46% | 0.456 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -56.3 | 176.1 | -62.4 | 170.3 | 0 | 0 | 0 | 108.4 | V90 R92 L121 | V90-I219 HydrophobicContact CG1-CD1 4.4Å; V90-I219 PolarHBondContact O-N 3.02Å; R92-I219 HydrophobicContact CG-CD1 4.37Å; L121-I219 HydrophobicContact CD2-CD1 3.29Å |
| 220 | E | 96.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 64.3 Ų | 64.3 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 168.1 | -179.9 | 58.3 | 172.1 | -166.9 | 0 | 0 | 112.5 | I89 V90 | I89-E220 CarbonylContact C-O 3.51Å; I89-E220 VanDerWaalsContact CA-O 3.27Å; I89-E220 WeakPolarHBondContact CA-O 3.33Å; I89-E220 WeakPolarHBondContact CB-O 3.02Å; V90-E220 HydrophobicContact CB-CG 3.93Å; V90-E220 HydrophobicContact CG2-CG 4.15Å; V90-E220 PolarHBondContact N-O 3.12Å; V90-E220 PolarHBondContact O-N 3.08Å |
| 221 | V | 97.3 | Very high | 95 | Very high | 91 Ų | 91 | 71 Ų | 71 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 125.2 | -179.1 | 176.1 | 0 | 0 | 0 | 0 | 108.2 | K87 I89 | K87-V221 HydrophobicContact CD-CG1 4.27Å; K87-V221 HydrophobicContact CG-CG1 3.85Å; I89-V221 HydrophobicContact CG2-CG2 4.13Å |
| 222 | C | 95.4 | Very high | 94 | Very high | 27 Ų | 27 | 73.3 Ų | 73.3 | 18% | 0.182 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.4 | -172.7 | -54 | 0 | 0 | 0 | 0 | 111.4 | G88 Y224 | G88-C222 PolarHBondContact N-O 3.44Å; G88-C222 PolarHBondContact O-N 3.33Å; C222-Y224 HydrophobicContact CB-CD2 4.44Å; C222-Y224 HydrophobicContact CB-CE1 4.44Å; C222-Y224 HydrophobicContact CB-CE2 3.7Å |
| 223 | M | 95.5 | Very high | 92.5 | Very high | 102 Ų | 102 | 79.8 Ų | 79.8 | 50% | 0.502 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.1 | 173.5 | -58.9 | -53.9 | -60.6 | 0 | 0 | 109.1 | Q85 K87 | Q85-M223 HydrophobicContact CB-CB 4.33Å; Q85-M223 HydrophobicContact CB-CE 3.48Å; Q85-M223 VanDerWaalsContact CB-CE 3.48Å; Q85-M223 WeakPolarHBondContact O-CE 3.04Å; K87-M223 HydrophobicContact CB-CE 4.11Å; K87-M223 HydrophobicContact CB-SD 3.9Å; K87-M223 HydrophobicContact CG-SD 4Å |
| 224 | Y | 94 | Very high | 90.4 | Very high | 28 Ų | 28 | 83.7 Ų | 83.7 | 11% | 0.11 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 146.3 | 179.3 | -60.5 | -84.1 | 0 | 0 | 0 | 110.3 | Q85 L86 I89 V90 N123 I125 C222 | Q85-Y224 CarbonylContact C-O 3.54Å; Q85-Y224 VanDerWaalsContact CA-O 3.31Å; Q85-Y224 WeakPolarHBondContact CA-O 2.97Å; L86-Y224 PolarHBondContact N-O 3.26Å; L86-Y224 PolarHBondContact O-N 3.47Å; I89-Y224 PolarHBondContact O-OH 3.31Å; V90-Y224 WeakPolarHBondContact CG2-OH 3.45Å; N123-Y224 HydrophobicContact CB-CE1 3.67Å; N123-Y224 WeakPolarHBondContact CB-OH 3.37Å; N123-Y224 VanDerWaalsContact CG-CE1 3.47Å; N123-Y224 PolarHBondContact OD1-OH 3.34Å; I125-Y224 HydrophobicContact CD1-CD1 3.8Å; I125-Y224 HydrophobicContact CD1-CE1 4.26Å; I125-Y224 HydrophobicContact CD1-CG 4.01Å; I125-Y224 HydrophobicContact CG1-CD1 3.97Å; I125-Y224 HydrophobicContact CG1-CD2 4.01Å; I125-Y224 HydrophobicContact CG1-CE1 4.22Å; I125-Y224 HydrophobicContact CG1-CE2 4.24Å; I125-Y224 HydrophobicContact CG1-CG 3.86Å; I125-Y224 HydrophobicContact CG2-CD2 4.42Å; I125-Y224 HydrophobicContact CG2-CG 4.27Å; C222-Y224 HydrophobicContact CB-CD2 4.44Å; C222-Y224 HydrophobicContact CB-CE1 4.44Å; C222-Y224 HydrophobicContact CB-CE2 3.7Å |
| 225 | R | 92.8 | Very high | 88 | Confident | 179 Ų | 179 | 91.1 Ų | 91.1 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 144.7 | 163.7 | -167.7 | 178 | -171.8 | -164.3 | -0.2 | 109.1 | E83 P227 | E83-R225 IonicContact OE2-CZ 2.7Å; E83-R225 IonicContact OE2-NE 3.18Å; E83-R225 PolarHBondContact OE2-NE 3.1Å; E83-R225 IonicContact OE2-NH2 3.79Å; E83-R225 PolarHBondContact OE2-NH2 3.27Å; R225-P227 VanDerWaalsContact O-CD 3.31Å; R225-P227 WeakPolarHBondContact O-CD 3.39Å |
| 226 | E | 90.8 | Very high | 85.7 | Confident | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.514 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 122 | 170.8 | -174.9 | 165.3 | -160.7 | 0 | 0 | 111 | P84 L86 | P84-E226 PolarHBondContact O-N 2.78Å; L86-E226 HydrophobicContact CD1-CB 4.1Å; L86-E226 HydrophobicContact CD1-CG 4.24Å; L86-E226 HydrophobicContact CG-CB 4.34Å |
| 227 | P | 91.8 | Very high | 83.4 | Confident | 17 Ų | 17 | 104 Ų | 104 | 11% | 0.11 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 134.1 | 179.2 | -23.6 | 35.3 | 0 | 0 | 0 | 112 | I125 V127 F157 R225 L229 | I125-P227 HydrophobicContact CG2-CG 4.48Å; V127-P227 HydrophobicContact CG1-CG 4.38Å; F157-P227 HydrophobicContact CB-CB 3.81Å; F157-P227 HydrophobicContact CD1-CB 3.57Å; F157-P227 HydrophobicContact CD2-CB 4.23Å; F157-P227 HydrophobicContact CE1-CB 4.15Å; F157-P227 HydrophobicContact CG-CB 3.6Å; R225-P227 VanDerWaalsContact O-CD 3.31Å; R225-P227 WeakPolarHBondContact O-CD 3.39Å; P227-L229 PolarHBondContact O-N 3.36Å |
| 228 | S | 89.3 | Confident | 80.9 | Confident | 85 Ų | 85 | 104.6 Ų | 104.6 | 59% | 0.594 | 52% | 0.52 | S | S | * | . | trans | -67.2 | 113.4 | 176.1 | 41.2 | 0 | 0 | 0 | 0 | 110.8 | H230 | S228-H230 PolarHBondContact O-CE1 3.38Å; S228-H230 PolarHBondContact O-N 2.88Å; S228-H230 PolarHBondContact O-ND1 2.67Å; S228-H230 PolarHBondContact OG-CE1 2.9Å | ||
| 229 | L | 91.3 | Very high | 78.6 | Confident | 94 Ų | 94 | 112 Ų | 112 | 49% | 0.492 | 54% | 0.537 | S | S | . | . | trans | -73.2 | 121.1 | 178.5 | -173.9 | 69.8 | 0 | 0 | 0 | 110.6 | F157 P159 P227 | F157-L229 HydrophobicContact CD1-CB 4.32Å; F157-L229 HydrophobicContact CD1-CD1 3.93Å; F157-L229 HydrophobicContact CE1-CB 4.41Å; F157-L229 HydrophobicContact CE1-CD1 3.73Å; P159-L229 HydrophobicContact CG-CD1 4.1Å; P227-L229 PolarHBondContact O-N 3.36Å | ||
| 230 | H | 87.8 | Confident | 76.3 | Confident | 89 Ų | 89 | 116.9 Ų | 116.9 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | trans | -105.7 | 143.9 | 173.6 | -63.6 | 69.9 | 0 | 0 | 0 | 110.6 | V156 F157 P159 S228 | V156-H230 HydrophobicContact CG1-CB 3.55Å; V156-H230 VanDerWaalsContact CG1-ND1 3.34Å; V156-H230 WeakPolarHBondContact CG1-ND1 3.05Å; F157-H230 PolarHBondContact O-N 3.13Å; P159-H230 VanDerWaalsContact CD-O 3.23Å; P159-H230 WeakPolarHBondContact CD-O 3.39Å; S228-H230 PolarHBondContact O-CE1 3.38Å; S228-H230 PolarHBondContact O-N 2.88Å; S228-H230 PolarHBondContact O-ND1 2.67Å; S228-H230 PolarHBondContact OG-CE1 2.9Å | ||
| 231 | E | 86.7 | Confident | 73.9 | Confident | 187 Ų | 187 | 117.4 Ų | 117.4 | 87% | 0.874 | 57% | 0.571 | S | S | * | * | trans | -72.5 | 152 | 173.6 | -62.4 | -170.3 | 162 | 0 | 0 | 111.1 | ||||
| 232 | I | 78.7 | Confident | 71.4 | Confident | 65 Ų | 65 | 119 Ų | 119 | 33% | 0.333 | 59% | 0.586 | S | S | . | * | trans | -82.9 | 118.2 | 177.6 | -54.4 | 159.5 | 0 | 0 | 0 | 107.1 | P159 E160 D234 | P159-I232 HydrophobicContact CB-CD1 4.41Å; E160-I232 HydrophobicContact CG-CD1 3.51Å; E160-I232 HydrophobicContact CG-CG1 4.25Å; I232-D234 PolarHBondContact O-N 2.96Å; I232-D234 VanDerWaalsContact O-N 3.13Å | ||
| 233 | E | 67.3 | Low | 68.8 | Low | 137 Ų | 137 | 120.9 Ų | 120.9 | 64% | 0.64 | 61% | 0.61 | S | S | * | * | trans | -65.2 | 113.8 | 172.7 | -71 | -167.3 | -176 | 0 | 0 | 110.5 | K235 | E233-K235 PolarHBondContact O-N 3.32Å; E233-K235 WeakPolarHBondContact OE2-CD 3.37Å; E233-K235 VanDerWaalsContact OE2-CE 3.24Å; E233-K235 WeakPolarHBondContact OE2-CE 3.43Å; E233-K235 IonicContact OE2-NZ 3.12Å; E233-K235 PolarHBondContact OE2-NZ 3.16Å | ||
| 234 | D | 54 | Low | 66.4 | Low | 87 Ų | 87 | 122.3 Ų | 122.3 | 47% | 0.465 | 63% | 0.625 | S | S | . | * | trans | -72.4 | 24.1 | -172.9 | -111.2 | -11.3 | 0 | 0 | 0 | 114.7 | I232 H236 R237 | I232-D234 PolarHBondContact O-N 2.96Å; I232-D234 VanDerWaalsContact O-N 3.13Å; D234-H236 PolarHBondContact O-N 3.13Å; D234-R237 VanDerWaalsContact CG-NH1 3.35Å; D234-R237 PolarHBondContact O-N 2.89Å; D234-R237 VanDerWaalsContact O-N 3.11Å; D234-R237 WeakPolarHBondContact OD1-CD 3.39Å; D234-R237 WeakPolarHBondContact OD1-CG 3.43Å; D234-R237 IonicContact OD1-CZ 2.91Å; D234-R237 IonicContact OD1-NE 3.99Å; D234-R237 PolarHBondContact OD1-NE 3.48Å; D234-R237 VanDerWaalsContact OD1-NE 3.12Å; D234-R237 IonicContact OD1-NH1 2.86Å; D234-R237 PolarHBondContact OD1-NH1 2.95Å; D234-R237 IonicContact OD1-NH2 2.65Å; D234-R237 IonicContact OD2-CZ 3.39Å; D234-R237 IonicContact OD2-NH1 2.82Å; D234-R237 PolarHBondContact OD2-NH1 3.11Å | ||
| 235 | K | 47.8 | Very low | 64 | Low | 157 Ų | 157 | 126.8 Ų | 126.8 | 68% | 0.683 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -17 | -176.9 | -83.1 | 174.9 | 178.2 | 152.8 | 0 | 114.8 | E233 | E233-K235 PolarHBondContact O-N 3.32Å; E233-K235 WeakPolarHBondContact OE2-CD 3.37Å; E233-K235 VanDerWaalsContact OE2-CE 3.24Å; E233-K235 WeakPolarHBondContact OE2-CE 3.43Å; E233-K235 IonicContact OE2-NZ 3.12Å; E233-K235 PolarHBondContact OE2-NZ 3.16Å |
| 236 | H | 51.3 | Low | 61.7 | Low | 185 Ų | 185 | 124 Ų | 124 | 86% | 0.856 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -2 | 179.5 | -83 | -95.8 | 0 | 0 | 0 | 115.7 | D234 S238 | D234-H236 PolarHBondContact O-N 3.13Å; H236-S238 VanDerWaalsContact C-N 3.35Å |
| 237 | R | 49.1 | Very low | 59.6 | Low | 151 Ų | 151 | 127.1 Ų | 127.1 | 57% | 0.57 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -82.2 | -10.8 | 175.9 | -67.5 | -167.5 | 179.5 | 147.5 | -1.5 | 114.2 | D234 R239 | D234-R237 VanDerWaalsContact CG-NH1 3.35Å; D234-R237 PolarHBondContact O-N 2.89Å; D234-R237 VanDerWaalsContact O-N 3.11Å; D234-R237 WeakPolarHBondContact OD1-CD 3.39Å; D234-R237 WeakPolarHBondContact OD1-CG 3.43Å; D234-R237 IonicContact OD1-CZ 2.91Å; D234-R237 IonicContact OD1-NE 3.99Å; D234-R237 PolarHBondContact OD1-NE 3.48Å; D234-R237 VanDerWaalsContact OD1-NE 3.12Å; D234-R237 IonicContact OD1-NH1 2.86Å; D234-R237 PolarHBondContact OD1-NH1 2.95Å; D234-R237 IonicContact OD1-NH2 2.65Å; D234-R237 IonicContact OD2-CZ 3.39Å; D234-R237 IonicContact OD2-NH1 2.82Å; D234-R237 PolarHBondContact OD2-NH1 3.11Å; R237-R239 PolarHBondContact O-N 3.24Å |
| 238 | S | 46.2 | Very low | 57.3 | Low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -81.3 | 36.2 | -178.8 | -157.9 | 0 | 0 | 0 | 0 | 114.9 | H236 | H236-S238 VanDerWaalsContact C-N 3.35Š| ||
| 239 | R | 50.4 | Low | 54.7 | Low | 243 Ų | 243 | 133.8 Ų | 133.8 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -126.1 | 57 | 166.1 | -79.9 | -171.1 | 171.9 | 173 | -1.7 | 111 | R237 | R237-R239 PolarHBondContact O-N 3.24Š| ||
| 240 | K | 47.7 | Very low | 52.1 | Low | 192 Ų | 192 | 133.1 Ų | 133.1 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | -113.3 | 125.8 | 161.7 | -82.7 | -172.5 | 174.6 | -178.1 | 0 | 110.3 | ||||
| 241 | S | 47 | Very low | 49.9 | Very low | 126 Ų | 126 | 139 Ų | 139 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | 53.8 | 77.5 | 140.3 | -175.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 242 | S | 44.2 | Very low | 47.8 | Very low | 125 Ų | 125 | 135 Ų | 135 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -142.7 | 130.6 | 149 | 58.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 243 | G | 41.1 | Very low | 46.3 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | cis | -166 | 146.6 | -14.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | P245 | G243-P245 WeakPolarHBondContact O-CD 3.3Š| ||
| 244 | T | 45.4 | Very low | 45 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -65.6 | 122.6 | 179.1 | -38.3 | 0 | 0 | 0 | 0 | 109.7 | T246 | T244-T246 PolarHBondContact O-N 3.46Å; T244-T246 VanDerWaalsContact O-N 3.16Å | ||
| 245 | P | 44.2 | Very low | 44.6 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -80.7 | 100.3 | 177.6 | 31.1 | -31.5 | 0 | 0 | 0 | 109.8 | G243 | G243-P245 WeakPolarHBondContact O-CD 3.3Š| ||
| 246 | T | 43.1 | Very low | 44.3 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | -87.7 | 108.2 | 165.8 | -49.3 | 0 | 0 | 0 | 0 | 108.6 | T244 | T244-T246 PolarHBondContact O-N 3.46Å; T244-T246 VanDerWaalsContact O-N 3.16Å | ||
| 247 | M | 46.8 | Very low | 43.8 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | trans | -130.4 | 102.4 | 167.1 | -73.6 | -63.7 | -74.8 | 0 | 0 | 109.5 | ||||
| 248 | N | 43.8 | Very low | 43.6 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 88% | 0.882 | 84% | 0.837 | S | S | * | * | trans | -96.5 | 128.9 | 162.1 | -102 | -15.9 | 0 | 0 | 0 | 107.5 | ||||
| 249 | G | 35.9 | Very low | 43.5 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | -175.8 | 99 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 250 | G | 36.5 | Very low | 43.1 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | 63.4 | 115.6 | 138.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 251 | K | 41.4 | Very low | 42.9 | Very low | 213 Ų | 213 | 133.4 Ų | 133.4 | 93% | 0.926 | 84% | 0.835 | S | S | * | * | trans | -59.1 | 143.3 | 157 | -71.2 | 175.2 | 171.5 | 179.2 | 0 | 111 | ||||
| 252 | A | 41.6 | Very low | 42.6 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -139.2 | 122.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 253 | V | 47.2 | Very low | 42.5 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -81.6 | 138.4 | 168.4 | 170.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 254 | N | 40.4 | Very low | 42.6 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 88% | 0.882 | 84% | 0.839 | S | S | * | * | trans | -132.3 | 122.3 | 158.4 | -116.8 | 5.5 | 0 | 0 | 0 | 109.5 | ||||
| 255 | Q | 45 | Very low | 42.4 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 72% | 0.724 | 84% | 0.841 | S | S | * | * | trans | -86.2 | 139 | 157.4 | -65.1 | 168.6 | -20.1 | 0 | 0 | 106 | ||||
| 256 | D | 41.4 | Very low | 42.3 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 76% | 0.759 | 85% | 0.845 | S | S | * | * | 168.5 | 136.2 | 111.1 | -102.3 | -46.8 | 0 | 0 | 0 | 114.1 | |||||
| 257 | S | 41.9 | Very low | 42.2 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 69% | 0.685 | 85% | 0.854 | S | S | * | * | trans | 44.2 | 107 | 135.9 | -55.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 258 | T | 44.7 | Very low | 41.8 | Very low | 216 Ų | 216 | 139.5 Ų | 139.5 | 100% | 1.325 | 85% | 0.853 | S | S | * | * | -159.3 | 0 | 101.9 | -61.2 | 0 | 0 | 0 | 0 | 109.2 |
Retrieved 258 of 258 residues in 127 ms
(Link to these results)