| 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 | 34.8 | Very low | 32.3 | Very low | 239 Ų | 239 | 142.8 Ų | 142.8 | 100% | 1.177 | 82% | 0.819 | S | S | * | * | 0 | 133.9 | 0 | -72.6 | -176.3 | 163 | 0 | 0 | 107.1 | |||||
| 2 | D | 32.3 | Very low | 31.9 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | 57.8 | 137.4 | 176.9 | -61.6 | -30.1 | 0 | 0 | 0 | 121.5 | ||||
| 3 | S | 30.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | trans | 143.6 | 96.2 | 143.9 | -65.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | S | 33.9 | Very low | 31.4 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 69% | 0.685 | 82% | 0.816 | S | S | * | * | 61.4 | 127.4 | 84.9 | -169.1 | 0 | 0 | 0 | 0 | 114.5 | H6 | S4-H6 PolarHBondContact OG-ND1 3.31Š| |||
| 5 | C | 25.9 | Very low | 31.2 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 91% | 0.905 | 82% | 0.818 | S | S | * | * | trans | -137.9 | 91.3 | 153.2 | -149.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 6 | H | 33.8 | Very low | 31 | Very low | 152 Ų | 152 | 139 Ų | 139 | 70% | 0.704 | 82% | 0.815 | S | S | * | * | trans | -62.7 | 140.3 | 157.3 | -85.1 | 53.9 | 0 | 0 | 0 | 109.5 | S4 | S4-H6 PolarHBondContact OG-ND1 3.31Š| ||
| 7 | N | 36.3 | Very low | 31.2 | Very low | 155 Ų | 155 | 138.6 Ų | 138.6 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | 79.2 | 127.4 | 69.6 | -150 | 22.5 | 0 | 0 | 0 | 114.1 | |||||
| 8 | A | 31.1 | Very low | 31 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | 178.6 | 137.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 9 | T | 34.4 | Very low | 30.9 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | cis | -169.2 | 157.1 | -3.6 | -13.9 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 10 | T | 30.7 | Very low | 30.6 | Very low | 130 Ų | 130 | 139 Ų | 139 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | -170.2 | 141.4 | 62.2 | -49 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 11 | K | 32 | Very low | 30.6 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | trans | -79.1 | 155.8 | 175.5 | -72.9 | 175.1 | 171.5 | 179.1 | 0 | 112.2 | ||||
| 12 | M | 27.5 | Very low | 30.3 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -144 | 139 | 132.4 | -88.1 | -61.5 | 127 | 0 | 0 | 109.4 | ||||
| 13 | L | 29.9 | Very low | 30.2 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -72.7 | 152.9 | -176.6 | -81.6 | 81.9 | 0 | 0 | 0 | 112.7 | ||||
| 14 | A | 26.1 | Very low | 30.1 | Very low | 87 Ų | 87 | 138 Ų | 138 | 72% | 0.719 | 81% | 0.809 | S | S | * | * | 175.6 | 129.1 | 118.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 15 | T | 29.4 | Very low | 30.1 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | trans | 51.2 | 120.2 | 142.7 | 51.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 16 | A | 27.5 | Very low | 30.3 | Very low | 93 Ų | 93 | 138.5 Ų | 138.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -71.2 | 162.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 17 | P | 33.7 | Very low | 30.3 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | -143.3 | 176 | 90.5 | 35.4 | -17.1 | 0 | 0 | 0 | 115.7 | |||||
| 18 | A | 28.3 | Very low | 30.2 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | -66.6 | 152.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 19 | R | 29.1 | Very low | 30.4 | Very low | 256 Ų | 256 | 142.6 Ų | 142.6 | 97% | 0.966 | 82% | 0.82 | S | S | * | * | 156.8 | 146 | 125.1 | -90 | 177.3 | 171.2 | -179.7 | -1.7 | 111.3 | |||||
| 20 | G | 25.5 | Very low | 30.2 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 123.4 | 79.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 21 | N | 29.7 | Very low | 30.3 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -75.3 | 120 | 166.3 | -160.1 | 24.2 | 0 | 0 | 0 | 109 | ||||
| 22 | M | 28.2 | Very low | 30.4 | Very low | 185 Ų | 185 | 138.6 Ų | 138.6 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -148 | 110.4 | 160.8 | -69.6 | -159.9 | 154.1 | 0 | 0 | 110.9 | ||||
| 23 | M | 30.4 | Very low | 31 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -64.7 | 132.3 | 169.8 | -70.9 | -175.7 | 151 | 0 | 0 | 110.8 | ||||
| 24 | S | 29.5 | Very low | 31.4 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -145.2 | 105.4 | 147 | 60.4 | 0 | 0 | 0 | 0 | 109.4 | S26 | S24-S26 PolarHBondContact O-N 3.37Š| ||
| 25 | T | 32.1 | Very low | 31.9 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -74 | 110.4 | 178.5 | 51.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 26 | S | 31.4 | Very low | 32.3 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -113.6 | 115.4 | 159.1 | 54.8 | 0 | 0 | 0 | 0 | 109.1 | S24 | S24-S26 PolarHBondContact O-N 3.37Š| ||
| 27 | K | 34.2 | Very low | 32.8 | Very low | 196 Ų | 196 | 149 Ų | 149 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | trans | -65.8 | 126.1 | -173.2 | -65.3 | 167.7 | 179.6 | 172.3 | 0 | 110.2 | L29 | K27-L29 PolarHBondContact O-N 3.29Š| ||
| 28 | P | 32.7 | Very low | 32.7 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -79 | 121.9 | 169.1 | 28.7 | -29.6 | 0 | 0 | 0 | 110 | A30 | P28-A30 VanDerWaalsContact C-N 3.32Å; P28-A30 PolarHBondContact O-N 3.28Å | ||
| 29 | L | 35.8 | Very low | 32.9 | Very low | 163 Ų | 163 | 154 Ų | 154 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -63.3 | 90.4 | 170.4 | -74.8 | 166.5 | 0 | 0 | 0 | 109.7 | K27 F31 | K27-L29 PolarHBondContact O-N 3.29Å; L29-F31 PolarHBondContact O-N 2.85Å | ||
| 30 | A | 30.8 | Very low | 33 | Very low | 64 Ų | 64 | 148.5 Ų | 148.5 | 53% | 0.529 | 80% | 0.799 | S | S | . | * | trans | -77.9 | 109.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | P28 S32 | P28-A30 VanDerWaalsContact C-N 3.32Å; P28-A30 PolarHBondContact O-N 3.28Å; A30-S32 VanDerWaalsContact C-N 3.32Å; A30-S32 PolarHBondContact O-N 2.96Å | ||
| 31 | F | 32.3 | Very low | 33.4 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -75.9 | 89.1 | 163.9 | -84.5 | -89.2 | 0 | 0 | 0 | 108.5 | L29 | L29-F31 PolarHBondContact O-N 2.85Š| ||
| 32 | S | 34.7 | Very low | 33.7 | Very low | 88 Ų | 88 | 151.8 Ų | 151.8 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | trans | -70.3 | 135.7 | 167 | -67.2 | 0 | 0 | 0 | 0 | 109.8 | A30 E34 | A30-S32 VanDerWaalsContact C-N 3.32Å; A30-S32 PolarHBondContact O-N 2.96Å; S32-E34 PolarHBondContact O-N 2.78Å | ||
| 33 | I | 40.5 | Very low | 33.9 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -71 | 3.2 | -175.9 | -68.8 | 174.4 | 0 | 0 | 0 | 112.8 | R35 | I33-R35 PolarHBondContact O-N 3.33Š|
| 34 | E | 38.2 | Very low | 34 | Very low | 173 Ų | 173 | 150.6 Ų | 150.6 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -81.8 | -7.3 | 178.6 | -69.1 | -165.6 | 156.9 | 0 | 0 | 115.3 | S32 I36 | S32-E34 PolarHBondContact O-N 2.78Å; E34-I36 PolarHBondContact O-N 3.04Å |
| 35 | R | 36.4 | Very low | 33.9 | Very low | 237 Ų | 237 | 149.4 Ų | 149.4 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | G | 310 helix | trans | -79.7 | 10.7 | 177 | -152.2 | 177.2 | -176.5 | 126.3 | -0.3 | 114.6 | I33 | I33-R35 PolarHBondContact O-N 3.33Š|
| 36 | I | 37.8 | Very low | 33.9 | Very low | 141 Ų | 141 | 151 Ų | 151 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -106.6 | -1.5 | -179.1 | -63.3 | 177.5 | 0 | 0 | 0 | 112.4 | E34 | E34-I36 PolarHBondContact O-N 3.04Š|
| 37 | M | 36.5 | Very low | 33.9 | Very low | 177 Ų | 177 | 151.3 Ų | 151.3 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -128 | 16.2 | -175.1 | -64.9 | -112.6 | 102.8 | 0 | 0 | 116.4 | ||
| 38 | A | 32.9 | Very low | 33.8 | Very low | 84 Ų | 84 | 148.5 Ų | 148.5 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | trans | -146.4 | 138.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 39 | R | 31.8 | Very low | 33.7 | Very low | 244 Ų | 244 | 148.5 Ų | 148.5 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 100.9 | 83.9 | 171.7 | -57.1 | -176.8 | -175.4 | -155.6 | -0.5 | 116.5 | ||||
| 40 | T | 31.2 | Very low | 33.4 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 121 | 136.3 | 41.2 | 0 | 0 | 0 | 0 | 108.2 | ||
| 41 | P | 34.5 | Very low | 33.2 | Very low | 119 Ų | 119 | 154.9 Ų | 154.9 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 136 | 160.2 | 28.7 | -26.9 | 0 | 0 | 0 | 109.4 | ||
| 42 | E | 34.6 | Very low | 33.2 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 139.9 | 173.6 | -64.2 | -150.7 | 141.4 | 0 | 0 | 112.1 | K44 | E42-K44 PolarHBondContact O-N 3.45Š|
| 43 | P | 34.1 | Very low | 32.9 | Very low | 128 Ų | 128 | 157.8 Ų | 157.8 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 116.7 | 169 | 30.2 | -27.9 | 0 | 0 | 0 | 110.5 | ||
| 44 | K | 31.6 | Very low | 32.2 | Very low | 210 Ų | 210 | 154.5 Ų | 154.5 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63 | 138.1 | 162.9 | -72.8 | 179.1 | 177 | -179.5 | 0 | 109.8 | E42 | E42-K44 PolarHBondContact O-N 3.45Š|
| 45 | A | 28.7 | Very low | 31.7 | Very low | 89 Ų | 89 | 151.2 Ų | 151.2 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 165.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 46 | L | 30.1 | Very low | 31.2 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | 118.7 | 147.7 | 158.9 | -63 | 170.6 | 0 | 0 | 0 | 114.6 | ||||
| 47 | P | 32.6 | Very low | 31 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | -119.1 | 157.1 | -58 | 34.6 | -20.4 | 0 | 0 | 0 | 111.3 | |||||
| 48 | V | 32.1 | Very low | 30.5 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 83% | 0.83 | 82% | 0.821 | S | S | * | * | trans | -108.8 | 135.7 | 171.9 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 49 | P | 31 | Very low | 30.1 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 83% | 0.826 | S | S | * | * | trans | -75.5 | 147.4 | 174.4 | 29.8 | -31.1 | 0 | 0 | 0 | 112.1 | ||||
| 50 | H | 28.8 | Very low | 29.8 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.815 | 82% | 0.822 | S | S | * | * | trans | -69.1 | 171.9 | -177.1 | -115.9 | -106.9 | 0 | 0 | 0 | 114.6 | ||||
| 51 | F | 27 | Very low | 30.1 | Very low | 185 Ų | 185 | 142.2 Ų | 142.2 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | 97 | 121.3 | 172.6 | -69.9 | -97.8 | 0 | 0 | 0 | 114.2 | ||||
| 52 | L | 31 | Very low | 29.6 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | cis | -149.7 | 153.8 | 10.8 | -101.2 | 156.5 | 0 | 0 | 0 | 112 | ||||
| 53 | Q | 28.8 | Very low | 29.3 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -61.6 | 148.8 | -178.7 | -154.7 | 84.1 | 16.7 | 0 | 0 | 114.9 | ||||
| 54 | G | 26.3 | Very low | 28.9 | Very low | 74 Ų | 74 | 144.2 Ų | 144.2 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | 177.1 | 77.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 55 | A | 27.2 | Very low | 28.7 | Very low | 104 Ų | 104 | 141.7 Ų | 141.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 52.2 | 118.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 56 | L | 26.4 | Very low | 28.6 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -75 | 160.6 | 157.9 | -107.3 | 157.2 | 0 | 0 | 0 | 111.1 | ||||
| 57 | P | 34 | Very low | 28.5 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | -139.1 | 167.8 | 89.9 | 31.8 | -13.1 | 0 | 0 | 0 | 116.6 | |||||
| 58 | K | 26.3 | Very low | 28.1 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -73.4 | 154.3 | -163.4 | -69.7 | 162.2 | 169.1 | 174.7 | 0 | 115.7 | ||||
| 59 | G | 24.9 | Very low | 28 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -173.5 | 101.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 60 | E | 25.4 | Very low | 28 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -80.3 | 166.5 | 162.4 | -76.9 | -161.9 | 165.1 | 0 | 0 | 110.1 | ||||
| 61 | P | 35.8 | Very low | 28 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | cis | -145.5 | 162.7 | 27.2 | 33.4 | -8.8 | 0 | 0 | 0 | 119.7 | ||||
| 62 | K | 25.9 | Very low | 28 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | trans | 53.1 | 116.7 | 137.5 | -60.9 | 168 | -172 | 178.3 | 0 | 121 | ||||
| 63 | H | 27.2 | Very low | 27.8 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | 165 | 99 | 112.2 | -95.9 | -92.1 | 0 | 0 | 0 | 110.1 | |||||
| 64 | S | 24.7 | Very low | 27.7 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -94.1 | 104.7 | 171.5 | 53.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 65 | L | 28.1 | Very low | 28 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | -93.8 | 116.5 | 166.2 | -73.8 | 173.1 | 0 | 0 | 0 | 109.8 | ||||
| 66 | H | 26 | Very low | 27.9 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | -47.2 | 139.9 | 157 | -90.8 | -117.5 | 0 | 0 | 0 | 110.9 | ||||
| 67 | L | 28.2 | Very low | 27.9 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -163.1 | 85.6 | 148.1 | -101.6 | 158.1 | 0 | 0 | 0 | 110.9 | ||||
| 68 | N | 25.4 | Very low | 27.6 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 89% | 0.893 | 73% | 0.727 | S | S | * | * | trans | -84.3 | 105.6 | 154.1 | -92.7 | -33.4 | 0 | 0 | 0 | 108.1 | ||||
| 69 | S | 29.6 | Very low | 27.7 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 52% | 0.524 | 72% | 0.723 | S | S | . | * | trans | -165.6 | 132.7 | 148.6 | 52.2 | 0 | 0 | 0 | 0 | 110.9 | I71 | S69-I71 PolarHBondContact O-N 2.83Å; S69-I71 VanDerWaalsContact OG-CG1 3.31Å; S69-I71 WeakPolarHBondContact OG-CG1 3.23Å | ||
| 70 | S | 31.4 | Very low | 27.8 | Very low | 99 Ų | 99 | 131.9 Ų | 131.9 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | trans | -73.8 | 82.1 | 165.8 | -70.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 71 | I | 27.3 | Very low | 27.7 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 55% | 0.549 | 72% | 0.718 | S | S | . | * | trans | -73.5 | 121.2 | 172.4 | -60 | 173.3 | 0 | 0 | 0 | 108.1 | S69 C73 K295 | S69-I71 PolarHBondContact O-N 2.83Å; S69-I71 VanDerWaalsContact OG-CG1 3.31Å; S69-I71 WeakPolarHBondContact OG-CG1 3.23Å; I71-C73 PolarHBondContact O-N 3.39Å; I71-K295 PolarHBondContact O-NZ 3.34Å | ||
| 72 | P | 27.9 | Very low | 27.3 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 59% | 0.591 | 72% | 0.723 | S | S | * | * | trans | -61.2 | 127.9 | 165.3 | 26.7 | -30.1 | 0 | 0 | 0 | 107.3 | M74 | P72-M74 VanDerWaalsContact C-N 3.26Å; P72-M74 PolarHBondContact O-N 3.05Å | ||
| 73 | C | 27 | Very low | 27.2 | Very low | 66 Ų | 66 | 132.1 Ų | 132.1 | 45% | 0.446 | 73% | 0.731 | S | S | . | * | trans | -68.8 | 94.1 | 177.6 | 176.5 | 0 | 0 | 0 | 0 | 106.2 | I71 I75 | I71-C73 PolarHBondContact O-N 3.39Å; C73-I75 PolarHBondContact O-N 3.2Å; C73-I75 VanDerWaalsContact SG-CG1 3.58Å | ||
| 74 | M | 26.3 | Very low | 27.3 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | -83.4 | 97.2 | 159.1 | -68.6 | -64.6 | 177 | 0 | 0 | 104.6 | P72 | P72-M74 VanDerWaalsContact C-N 3.26Å; P72-M74 PolarHBondContact O-N 3.05Å | ||
| 75 | I | 33 | Very low | 27.5 | Very low | 83 Ų | 83 | 129 Ų | 129 | 43% | 0.426 | 72% | 0.724 | S | S | . | * | trans | -62.5 | 127.9 | 161.5 | -58.1 | 174.5 | 0 | 0 | 0 | 105.3 | C73 F77 | C73-I75 PolarHBondContact O-N 3.2Å; C73-I75 VanDerWaalsContact SG-CG1 3.58Å; I75-F77 PolarHBondContact O-N 3.45Å; I75-F77 VanDerWaalsContact O-N 3.09Å | ||
| 76 | P | 24.8 | Very low | 27.8 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -60.2 | 116.8 | 172.6 | 23.3 | -30 | 0 | 0 | 0 | 108.4 | V78 | P76-V78 PolarHBondContact O-N 3.37Š| ||
| 77 | F | 26.4 | Very low | 28 | Very low | 208 Ų | 208 | 129.1 Ų | 129.1 | 91% | 0.912 | 73% | 0.728 | S | S | * | * | trans | -66.6 | 102.5 | 167.1 | -98.1 | -96.2 | 0 | 0 | 0 | 107.2 | I75 | I75-F77 PolarHBondContact O-N 3.45Å; I75-F77 VanDerWaalsContact O-N 3.09Å | ||
| 78 | V | 27.1 | Very low | 27.9 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | trans | -66.5 | 129 | 158.4 | -170.2 | 0 | 0 | 0 | 0 | 106.3 | P76 V80 | P76-V78 PolarHBondContact O-N 3.37Å; V78-V80 PolarHBondContact O-N 3.47Å | ||
| 79 | P | 28.5 | Very low | 27.9 | Very low | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -68.8 | 106.1 | 178.1 | -9 | 23.3 | 0 | 0 | 0 | 109 | ||||
| 80 | V | 27.1 | Very low | 27.8 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -81.2 | 118.9 | 160.5 | -177.2 | 0 | 0 | 0 | 0 | 106 | V78 Y82 | V78-V80 PolarHBondContact O-N 3.47Å; V80-Y82 PolarHBondContact O-N 2.98Å | ||
| 81 | A | 24.7 | Very low | 27.6 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -53.6 | 124.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 82 | Y | 25.6 | Very low | 27.4 | Very low | 198 Ų | 198 | 128.1 Ų | 128.1 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -94.8 | 115.6 | 168.3 | 53.8 | -89.3 | 0 | 0 | 0 | 106.9 | V80 T84 | V80-Y82 PolarHBondContact O-N 2.98Å; Y82-T84 HydrophobicContact CD2-CG2 3.92Å; Y82-T84 HydrophobicContact CE2-CG2 3.99Å; Y82-T84 PolarHBondContact O-N 2.73Å | ||
| 83 | D | 25.1 | Very low | 27.3 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -64.9 | 118.9 | 165.4 | -85.1 | -40.2 | 0 | 0 | 0 | 108.9 | ||||
| 84 | T | 29.2 | Very low | 27.3 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -93.4 | 115.4 | 163.7 | 43.2 | 0 | 0 | 0 | 0 | 108.4 | Y82 | Y82-T84 HydrophobicContact CD2-CG2 3.92Å; Y82-T84 HydrophobicContact CE2-CG2 3.99Å; Y82-T84 PolarHBondContact O-N 2.73Å | ||
| 85 | S | 27.9 | Very low | 27.4 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -155.7 | 154.4 | 146.5 | -92.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 86 | P | 35.5 | Very low | 27.3 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -101 | 165 | -149 | 34.7 | -24.8 | 0 | 0 | 0 | 114.1 | ||||
| 87 | K | 29.3 | Very low | 27.4 | Very low | 213 Ų | 213 | 147.7 Ų | 147.7 | 93% | 0.926 | 83% | 0.825 | S | S | * | * | trans | -78.1 | 134.8 | 173.3 | -73.4 | -178.8 | 173.5 | -175.6 | 0 | 111.8 | ||||
| 88 | A | 27.1 | Very low | 27.4 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -173.9 | 147.1 | 130.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 89 | G | 24.9 | Very low | 27.4 | Very low | 82 Ų | 82 | 141.7 Ų | 141.7 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 117.8 | 106.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 90 | V | 27.4 | Very low | 27.3 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 84% | 0.842 | 82% | 0.819 | S | S | * | * | trans | -83.4 | 144 | 172.7 | 174.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 91 | T | 26.6 | Very low | 27.3 | Very low | 146 Ų | 146 | 146 Ų | 146 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | trans | -174 | 165.7 | 134.3 | 27.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 92 | S | 24.2 | Very low | 27.3 | Very low | 103 Ų | 103 | 146.1 Ų | 146.1 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | trans | -86.1 | 162.6 | -148.2 | 175.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 93 | S | 26.3 | Very low | 27.9 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 83% | 0.827 | S | S | * | * | trans | 57.2 | 122.4 | 142.8 | 56 | 0 | 0 | 0 | 0 | 121 | ||||
| 94 | E | 27 | Very low | 27.9 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | -177.8 | 148.1 | 98.8 | -97.7 | -167.7 | 122.9 | 0 | 0 | 112.5 | |||||
| 95 | Q | 28.4 | Very low | 27.7 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | trans | -82.3 | 148.5 | 175.6 | -76.2 | 160.1 | -73.3 | 0 | 0 | 112.1 | ||||
| 96 | R | 30.4 | Very low | 28 | Very low | 245 Ų | 245 | 138.3 Ų | 138.3 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -175.1 | 103.7 | 143 | -96.9 | 164.7 | -155.4 | -140.8 | 9 | 106.8 | ||||
| 97 | K | 26.9 | Very low | 27.6 | Very low | 210 Ų | 210 | 137.3 Ų | 137.3 | 91% | 0.913 | 83% | 0.825 | S | S | * | * | 59 | 130.3 | 83.4 | -96.2 | -172.2 | -179.8 | -178.1 | 0 | 116.7 | |||||
| 98 | A | 26.3 | Very low | 27.3 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 78.8 | 142.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 99 | S | 25.9 | Very low | 27.1 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | cis | -169.2 | 154.1 | -4.2 | -102.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 100 | L | 28 | Very low | 27.6 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | trans | 24.8 | 129.6 | 145.6 | -68 | 129.4 | 0 | 0 | 0 | 120.8 | ||||
| 101 | E | 25.9 | Very low | 27.4 | Very low | 189 Ų | 189 | 132.6 Ų | 132.6 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | -178.2 | 140.9 | 100.6 | -98.4 | 178.3 | 127.8 | 0 | 0 | 112.6 | |||||
| 102 | A | 26.2 | Very low | 27.4 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | -134.3 | 142.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 103 | P | 36.4 | Very low | 27.6 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | -149.4 | 175.8 | 116.7 | 33.4 | -14.1 | 0 | 0 | 0 | 110.7 | |||||
| 104 | A | 25.4 | Very low | 27.4 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | cis | -161.9 | 158.5 | -5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 105 | A | 25.2 | Very low | 27.4 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -88.3 | 169.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 106 | P | 35.6 | Very low | 27.3 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | -154.6 | 165.4 | 85 | 37.6 | -16.9 | 0 | 0 | 0 | 118.9 | |||||
| 107 | A | 25.1 | Very low | 27.2 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 66.9 | 146.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 108 | A | 23.4 | Very low | 27.4 | Very low | 84 Ų | 84 | 115.7 Ų | 115.7 | 69% | 0.694 | 77% | 0.769 | S | S | * | * | cis | -175 | 134.7 | -15.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 109 | V | 23.6 | Very low | 27.7 | Very low | 138 Ų | 138 | 117.2 Ų | 117.2 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 55.8 | 160.5 | 152.6 | -99.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 110 | P | 35.3 | Very low | 28.3 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 69% | 0.688 | 76% | 0.756 | S | S | * | * | cis | -137.9 | 164.7 | -16.8 | 32.8 | -11.4 | 0 | 0 | 0 | 118.5 | ||||
| 111 | S | 24.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 115.3 Ų | 115.3 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | 70.5 | 109.8 | 140.7 | 62.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 112 | A | 24.7 | Very low | 29.1 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 78% | 0.777 | 73% | 0.732 | S | S | * | * | trans | -159.3 | 143.9 | 132.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A114 | A112-A114 PolarHBondContact O-N 2.83Š| ||
| 113 | P | 28.7 | Very low | 29.5 | Very low | 114 Ų | 114 | 109.2 Ų | 109.2 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | trans | -79.9 | 124.1 | -164 | 30.4 | -33 | 0 | 0 | 0 | 113.1 | ||||
| 114 | A | 23.8 | Very low | 29.4 | Very low | 99 Ų | 99 | 105.1 Ų | 105.1 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -73.7 | 121.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110 | A112 S116 | A112-A114 PolarHBondContact O-N 2.83Å; A114-S116 PolarHBondContact O-N 3.43Å | ||
| 115 | F | 27 | Very low | 29.9 | Very low | 203 Ų | 203 | 106.7 Ų | 106.7 | 89% | 0.89 | 68% | 0.68 | S | S | * | * | trans | -72.5 | 113.8 | 171.1 | -78.7 | -87.6 | 0 | 0 | 0 | 110 | ||||
| 116 | S | 25.1 | Very low | 30.2 | Very low | 103 Ų | 103 | 107.6 Ų | 107.6 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | trans | -67.7 | 135.6 | 179.6 | 171.3 | 0 | 0 | 0 | 0 | 112.8 | A114 N118 | A114-S116 PolarHBondContact O-N 3.43Å; S116-N118 PolarHBondContact O-N 3.2Å; S116-N118 VanDerWaalsContact O-N 3.08Å | ||
| 117 | C | 28.2 | Very low | 30.3 | Very low | 98 Ų | 98 | 107.4 Ų | 107.4 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | trans | -80.9 | 76 | -177.1 | -156.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 118 | N | 30.5 | Very low | 30.5 | Very low | 106 Ų | 106 | 111.2 Ų | 111.2 | 57% | 0.567 | 67% | 0.67 | S | S | * | * | trans | -95.4 | -3.6 | -179.5 | -126.2 | 6.9 | 0 | 0 | 0 | 114.5 | S116 | S116-N118 PolarHBondContact O-N 3.2Å; S116-N118 VanDerWaalsContact O-N 3.08Å | ||
| 119 | D | 34.1 | Very low | 30.9 | Very low | 127 Ų | 127 | 110.1 Ų | 110.1 | 68% | 0.679 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -85.8 | -17.9 | -174.6 | -79.2 | -23.5 | 0 | 0 | 0 | 114.6 | ||
| 120 | L | 38.6 | Very low | 31.3 | Very low | 102 Ų | 102 | 111.2 Ų | 111.2 | 53% | 0.534 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -83.9 | -31.6 | 179.9 | -70.9 | 174.4 | 0 | 0 | 0 | 112.5 | N122 C123 A124 | L120-N122 VanDerWaalsContact C-N 3.33Å; L120-N122 PolarHBondContact O-N 3.11Å; L120-C123 PolarHBondContact O-N 3.32Å; L120-A124 PolarHBondContact O-N 3.12Å |
| 121 | L | 36.8 | Very low | 31.2 | Very low | 112 Ų | 112 | 114.8 Ų | 114.8 | 59% | 0.586 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.9 | -35.3 | -177.1 | -162.5 | 62.6 | 0 | 0 | 0 | 111.7 | A124 L125 | L121-A124 PolarHBondContact O-N 2.78Å; L121-L125 WeakPolarHBondContact O-CG 3.43Å; L121-L125 PolarHBondContact O-N 3.1Å |
| 122 | N | 32.6 | Very low | 31.4 | Very low | 112 Ų | 112 | 113.9 Ų | 113.9 | 60% | 0.599 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -74.8 | -25.8 | 176 | -72.4 | -39.1 | 0 | 0 | 0 | 113.7 | L120 | L120-N122 VanDerWaalsContact C-N 3.33Å; L120-N122 PolarHBondContact O-N 3.11Å |
| 123 | C | 35.3 | Very low | 31.6 | Very low | 44 Ų | 44 | 120.9 Ų | 120.9 | 30% | 0.297 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -78.9 | -26.8 | 169.8 | -92.8 | 0 | 0 | 0 | 0 | 112 | L120 C304 | L120-C123 PolarHBondContact O-N 3.32Å; C123-C304 WeakPolarHBondContact CB-SG 3.28Å; C123-C304 WeakPolarHBondContact SG-CB 3.21Å; C123-C304 CovalentContact SG-SG 2.08Å; C123-C304 PolarHBondContact SG-SG 3.32Å |
| 124 | A | 34.4 | Very low | 31.5 | Very low | 38 Ų | 38 | 123 Ų | 123 | 31% | 0.314 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -70.7 | -34.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L120 L121 S126 L127 K128 | L120-A124 PolarHBondContact O-N 3.12Å; L121-A124 PolarHBondContact O-N 2.78Å; A124-S126 VanDerWaalsContact C-N 3.32Å; A124-S126 PolarHBondContact O-N 3.25Å; A124-L127 PolarHBondContact O-N 3.15Å; A124-K128 PolarHBondContact O-N 2.8Å |
| 125 | L | 34.9 | Very low | 31.5 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.9 | -22.2 | 179.4 | -70.1 | 169.1 | 0 | 0 | 0 | 113.8 | L121 | L121-L125 WeakPolarHBondContact O-CG 3.43Å; L121-L125 PolarHBondContact O-N 3.1Å |
| 126 | S | 31.7 | Very low | 31.4 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -7.1 | 173.2 | -82.9 | 0 | 0 | 0 | 0 | 114.7 | A124 | A124-S126 VanDerWaalsContact C-N 3.32Å; A124-S126 PolarHBondContact O-N 3.25Å |
| 127 | L | 38.8 | Very low | 31.7 | Very low | 120 Ų | 120 | 121.5 Ų | 121.5 | 63% | 0.628 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | -9.2 | -177.2 | -73.3 | 166.7 | 0 | 0 | 0 | 113.8 | A124 | A124-L127 PolarHBondContact O-N 3.15Š|
| 128 | K | 29.5 | Very low | 31.6 | Very low | 181 Ų | 181 | 125.1 Ų | 125.1 | 79% | 0.787 | 70% | 0.701 | S | S | * | * | trans | -102.9 | 49.5 | 179 | -74.3 | -173.3 | 175.5 | -176 | 0 | 112.7 | A124 | A124-K128 PolarHBondContact O-N 2.8Š| ||
| 129 | G | 32.3 | Very low | 31.4 | Very low | 60 Ų | 60 | 128.5 Ų | 128.5 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -124.7 | 69.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 130 | D | 30.3 | Very low | 31.2 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 87% | 0.866 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -177.5 | 29.7 | 166.9 | -89.3 | -27.3 | 0 | 0 | 0 | 113.6 | ||
| 131 | L | 34 | Very low | 30.6 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 94% | 0.942 | 74% | 0.736 | S | S | * | * | trans | -144.2 | 76.2 | 173.2 | -74.3 | 175.7 | 0 | 0 | 0 | 111.1 | ||||
| 132 | A | 27.5 | Very low | 30.2 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | trans | -156.7 | 93.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 133 | R | 29.3 | Very low | 29.9 | Very low | 241 Ų | 241 | 142 Ų | 142 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | trans | -165.6 | 84.3 | 153.8 | -107.3 | 171.5 | -178.9 | 170 | 1 | 108.5 | ||||
| 134 | D | 27.9 | Very low | 29.6 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | 31.4 | 125.1 | 145.2 | -52.1 | -41.5 | 0 | 0 | 0 | 120.9 | ||||
| 135 | A | 23.3 | Very low | 29 | Very low | 92 Ų | 92 | 155.3 Ų | 155.3 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -84.9 | 136.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 136 | L | 24.7 | Very low | 28.5 | Very low | 166 Ų | 166 | 154.5 Ų | 154.5 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | 158.8 | 161.1 | 138.7 | -86.1 | 165.7 | 0 | 0 | 0 | 109.9 | ||||
| 137 | P | 31.4 | Very low | 28.2 | Very low | 116 Ų | 116 | 160.4 Ų | 160.4 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | -113.5 | 170.4 | -72.7 | 25.4 | -4.8 | 0 | 0 | 0 | 112.4 | |||||
| 138 | L | 25.5 | Very low | 27.6 | Very low | 175 Ų | 175 | 160.9 Ų | 160.9 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -60.3 | 130 | -177.7 | -71.4 | 162.9 | 0 | 0 | 0 | 114 | ||||
| 139 | Q | 26 | Very low | 27.4 | Very low | 177 Ų | 177 | 157.2 Ų | 157.2 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | -145.9 | 149.5 | 137.1 | -96.1 | -156.2 | -8.6 | 0 | 0 | 111.6 | ||||
| 140 | Q | 31.3 | Very low | 27 | Very low | 190 Ų | 190 | 161.3 Ų | 161.3 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | trans | -71.2 | 128 | -159.8 | -65.3 | 160.4 | -38 | 0 | 0 | 114.2 | ||||
| 141 | Y | 24.6 | Very low | 26.7 | Very low | 207 Ų | 207 | 161 Ų | 161 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | trans | -155.5 | 121.5 | 147.6 | 28.6 | -92 | 0 | 0 | 0 | 110.6 | L143 | Y141-L143 PolarHBondContact O-N 3.33Š| ||
| 142 | K | 29.4 | Very low | 26.2 | Very low | 212 Ų | 212 | 157.2 Ų | 157.2 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | trans | -64.7 | 116.3 | 168.1 | -81 | 175.4 | 175.4 | 174.3 | 0 | 108.3 | ||||
| 143 | L | 25 | Very low | 26.3 | Very low | 128 Ų | 128 | 157.7 Ų | 157.7 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | trans | -139.1 | 114.7 | 158.4 | -125.4 | 101.4 | 0 | 0 | 0 | 109.7 | Y141 R145 | Y141-L143 PolarHBondContact O-N 3.33Å; L143-R145 HydrophobicContact CD2-CG 4.46Å; L143-R145 PolarHBondContact O-N 3.11Å | ||
| 144 | V | 28.8 | Very low | 26 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | -64.1 | 123.2 | 168.1 | 174.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 145 | R | 23.4 | Very low | 26 | Very low | 212 Ų | 212 | 155.9 Ų | 155.9 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | trans | -142.8 | 154.3 | 170.1 | -87.2 | -160 | -175.3 | -173.3 | 3.2 | 112.7 | L143 | L143-R145 HydrophobicContact CD2-CG 4.46Å; L143-R145 PolarHBondContact O-N 3.11Å | ||
| 146 | P | 24.6 | Very low | 26.1 | Very low | 112 Ų | 112 | 155.8 Ų | 155.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -91 | 164 | -141.2 | -5.3 | 24.6 | 0 | 0 | 0 | 114.8 | V148 | P146-V148 PolarHBondContact O-N 2.89Š| ||
| 147 | R | 25.6 | Very low | 26.2 | Very low | 234 Ų | 234 | 156.5 Ų | 156.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -54.5 | 104.2 | 171.8 | -165.9 | 177.2 | -171.2 | 158.6 | -0.2 | 111.6 | V149 | R147-V149 HydrophobicContact CG-CG2 4.43Š| ||
| 148 | V | 24.8 | Very low | 25.9 | Very low | 129 Ų | 129 | 154.6 Ų | 154.6 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -93.8 | 109.4 | 165.3 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | P146 N150 | P146-V148 PolarHBondContact O-N 2.89Å; V148-N150 PolarHBondContact O-N 2.8Å | ||
| 149 | V | 26.1 | Very low | 25.8 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | -77.7 | 116 | 173.5 | 177.6 | 0 | 0 | 0 | 0 | 108 | R147 H151 | R147-V149 HydrophobicContact CG-CG2 4.43Å; V149-H151 PolarHBondContact O-N 3.39Å; V149-H151 VanDerWaalsContact O-N 3.16Å | ||
| 150 | N | 24.1 | Very low | 25.8 | Very low | 145 Ų | 145 | 150.9 Ų | 150.9 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -68.2 | 108.3 | 169.1 | -83.1 | -32.3 | 0 | 0 | 0 | 109.3 | V148 S152 | V148-N150 PolarHBondContact O-N 2.8Å; N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.08Å | ||
| 151 | H | 24.2 | Very low | 25.6 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -64.9 | 104.7 | 166.3 | -111.8 | -90.7 | 0 | 0 | 0 | 109 | V149 F154 | V149-H151 PolarHBondContact O-N 3.39Å; V149-H151 VanDerWaalsContact O-N 3.16Å; H151-F154 AromaticContact CE1-CE2 3.7Å | ||
| 152 | S | 23.2 | Very low | 25.6 | Very low | 100 Ų | 100 | 148.4 Ų | 148.4 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | trans | -125.6 | 131.4 | 157.9 | 66.8 | 0 | 0 | 0 | 0 | 107.3 | N150 | N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.08Å | ||
| 153 | S | 28.3 | Very low | 25.5 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 94.2 | 79.5 | 173.3 | -30.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 154 | F | 24.2 | Very low | 25.5 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -88.9 | 106 | 146.6 | -104.5 | -87.2 | 0 | 0 | 0 | 107.8 | H151 | H151-F154 AromaticContact CE1-CE2 3.7Š| ||
| 155 | H | 28 | Very low | 25.4 | Very low | 175 Ų | 175 | 152.6 Ų | 152.6 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | -90.9 | 124.7 | 159.8 | -119.6 | -101.3 | 0 | 0 | 0 | 106.5 | M157 | H155-M157 PolarHBondContact O-N 3.17Š| ||
| 156 | A | 24.7 | Very low | 25.4 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -63.9 | 125.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 157 | M | 27.3 | Very low | 25.4 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | trans | -149.8 | 118.1 | 159.6 | -79.4 | -68.6 | -84.5 | 0 | 0 | 108.7 | H155 | H155-M157 PolarHBondContact O-N 3.17Š| ||
| 158 | G | 24.4 | Very low | 25.5 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 66.7 | 96.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | L160 | G158-L160 PolarHBondContact O-N 3.29Š| ||
| 159 | A | 24.7 | Very low | 25.9 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -64.8 | 121 | 150.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 160 | L | 25.9 | Very low | 25.9 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 89% | 0.89 | 82% | 0.816 | S | S | * | * | trans | -129 | 119.9 | 153.2 | -79.6 | 177.1 | 0 | 0 | 0 | 107.7 | G158 | G158-L160 PolarHBondContact O-N 3.29Š| ||
| 161 | C | 25.4 | Very low | 26 | Very low | 118 Ų | 118 | 143.7 Ų | 143.7 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | trans | -55.6 | 135 | 172.1 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 162 | Y | 24.9 | Very low | 26.8 | Very low | 227 Ų | 227 | 141.6 Ų | 141.6 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | trans | -140.9 | 117.2 | 148.5 | -106 | -86.4 | 0 | 0 | 0 | 108.7 | ||||
| 163 | L | 27.3 | Very low | 26.9 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -67.1 | 137.9 | 162.7 | -70.2 | 160.5 | 0 | 0 | 0 | 108.2 | ||||
| 164 | N | 26 | Very low | 26.8 | Very low | 168 Ų | 168 | 141 Ų | 141 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -152.2 | 132.1 | 140.6 | -106.2 | -25.2 | 0 | 0 | 0 | 111.6 | ||||
| 165 | R | 25.7 | Very low | 26.8 | Very low | 249 Ų | 249 | 135.7 Ų | 135.7 | 94% | 0.94 | 83% | 0.825 | S | S | * | * | trans | -74.9 | 162.4 | 178.5 | -84.8 | 176.9 | 165.5 | -177.1 | -4.9 | 112 | ||||
| 166 | G | 24.2 | Very low | 26.7 | Very low | 63 Ų | 63 | 134.1 Ų | 134.1 | 65% | 0.649 | 83% | 0.827 | S | S | * | * | trans | 135.2 | 129.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 167 | D | 25.2 | Very low | 26.8 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 91% | 0.914 | 83% | 0.828 | S | S | * | * | cis | -170.5 | 144.3 | -13.6 | -99.7 | -45.8 | 0 | 0 | 0 | 105.3 | ||||
| 168 | G | 26.7 | Very low | 26.7 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | 99.9 | 151.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 169 | P | 33.6 | Very low | 26.7 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | -128.4 | 167.2 | -125.2 | 37 | -20.7 | 0 | 0 | 0 | 115.5 | |||||
| 170 | C | 25.8 | Very low | 27.8 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | trans | -174.1 | 115.3 | 139.4 | -94.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 171 | H | 25.3 | Very low | 27.7 | Very low | 184 Ų | 184 | 139 Ų | 139 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | trans | -96.3 | -177.7 | 165.3 | -103.1 | -69.7 | 0 | 0 | 0 | 108.9 | ||||
| 172 | P | 41.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | cis | -129.2 | 179.5 | -29.8 | 31.4 | -10.1 | 0 | 0 | 0 | 110.7 | ||||
| 173 | A | 24.8 | Very low | 27.9 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | 173.9 | 146.8 | 90.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 174 | A | 26.1 | Very low | 27.8 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 62.6 | 114.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 175 | G | 24.1 | Very low | 27.7 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | 103.3 | 120.7 | 52.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 176 | V | 27 | Very low | 27.6 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | -165.6 | 143.7 | 59.4 | 168.9 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 177 | N | 26.3 | Very low | 27.5 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | trans | -64.2 | 162.1 | 170.2 | -93.1 | -78.2 | 0 | 0 | 0 | 111.3 | ||||
| 178 | I | 24.9 | Very low | 27.6 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 82% | 0.821 | 80% | 0.795 | S | S | * | * | 178.3 | 133.1 | 84.1 | -72.1 | 153.4 | 0 | 0 | 0 | 107.8 | |||||
| 179 | H | 25.2 | Very low | 28.1 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | trans | -76.4 | -162.9 | 169 | -100.8 | -86.4 | 0 | 0 | 0 | 111.3 | ||||
| 180 | P | 48.1 | Very low | 27.7 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | -133.8 | 162.1 | -51.9 | 36.4 | -20.7 | 0 | 0 | 0 | 112.5 | |||||
| 181 | V | 24.5 | Very low | 28.3 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -154.3 | 103.8 | 157.6 | -168.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 182 | A | 24.3 | Very low | 28.4 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | 76.8 | 123.7 | 91.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 183 | S | 29.3 | Very low | 27.9 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | -59.9 | 156.1 | 177.3 | 45.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 184 | Y | 25 | Very low | 28.4 | Very low | 236 Ų | 236 | 135.4 Ų | 135.4 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -156.3 | 156.2 | 132.7 | -83.9 | -64 | 0 | 0 | 0 | 113 | ||||
| 185 | F | 24.1 | Very low | 28.7 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | -96.1 | 176.1 | -156.7 | -106.9 | -99.4 | 0 | 0 | 0 | 115.7 | ||||
| 186 | L | 23 | Very low | 29.4 | Very low | 158 Ų | 158 | 140 Ų | 140 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 135.1 | 134.3 | 141.6 | -71.1 | 160.3 | 0 | 0 | 0 | 110.3 | ||||
| 187 | S | 23.7 | Very low | 29.7 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | cis | -163.8 | 158.3 | 0.5 | -76.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 188 | S | 27.3 | Very low | 30.2 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -64.9 | 178.4 | 172.6 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 189 | P | 36.8 | Very low | 30.6 | Very low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | cis | -151.8 | -174.1 | 24 | 39.7 | -14.3 | 0 | 0 | 0 | 118.9 | ||||
| 190 | L | 24.8 | Very low | 31.3 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | trans | 99.2 | 123.3 | 152.1 | -63.2 | 164.9 | 0 | 0 | 0 | 121.2 | ||||
| 191 | H | 38.5 | Very low | 30.7 | Very low | 187 Ų | 187 | 135 Ų | 135 | 87% | 0.866 | 72% | 0.717 | S | S | * | * | trans | -52.1 | 154 | 156.3 | -92.4 | 135.8 | 0 | 0 | 0 | 112.8 | ||||
| 192 | P | 27.9 | Very low | 31.3 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | trans | -118.4 | 143.3 | 145.6 | 13.4 | 7.2 | 0 | 0 | 0 | 114 | ||||
| 193 | Q | 29.9 | Very low | 32.1 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | trans | -69.7 | 163.3 | 179.2 | -74.3 | -79.6 | 9.1 | 0 | 0 | 113.9 | K195 T196 | Q193-K195 PolarHBondContact O-N 3.23Å; Q193-T196 PolarHBondContact O-OG1 3.11Å | ||
| 194 | P | 34.9 | Very low | 32.6 | Very low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 9.1 | -166.4 | 27.9 | -34.5 | 0 | 0 | 0 | 117 | ||
| 195 | K | 32.6 | Very low | 33.3 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 84% | 0.839 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -16.4 | 177.8 | -68.9 | -176.3 | 179.3 | 179.9 | 0 | 113.6 | Q193 | Q193-K195 PolarHBondContact O-N 3.23Š|
| 196 | T | 39.2 | Very low | 34.1 | Very low | 82 Ų | 82 | 128.7 Ų | 128.7 | 50% | 0.503 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -77.4 | -25.6 | 179.6 | 51 | 0 | 0 | 0 | 0 | 113.4 | Q193 L198 A199 E200 | Q193-T196 PolarHBondContact O-OG1 3.11Å; T196-L198 PolarHBondContact O-N 2.84Å; T196-A199 PolarHBondContact O-N 3.07Å; T196-E200 PolarHBondContact O-N 3.29Å; T196-E200 VanDerWaalsContact O-N 3.11Å |
| 197 | Y | 33.4 | Very low | 34.7 | Very low | 175 Ų | 175 | 126.2 Ų | 126.2 | 69% | 0.686 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.8 | -34.6 | -177.1 | -165.5 | -99.2 | 0 | 0 | 0 | 113.4 | R201 | Y197-R201 WeakPolarHBondContact O-CB 3.16Å; Y197-R201 PolarHBondContact O-N 3.26Å; Y197-R201 VanDerWaalsContact O-N 3.12Å |
| 198 | L | 36.2 | Very low | 35.2 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 55% | 0.55 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -76.9 | -30.3 | 180 | -143.9 | 78.4 | 0 | 0 | 0 | 112.1 | T196 N202 | T196-L198 PolarHBondContact O-N 2.84Å; L198-N202 PolarHBondContact O-N 3.44Å |
| 199 | A | 34.9 | Very low | 35.7 | Very low | 59 Ų | 59 | 125.8 Ų | 125.8 | 49% | 0.488 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -75.5 | -38.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T196 N202 K203 | T196-A199 PolarHBondContact O-N 3.07Å; A199-N202 PolarHBondContact O-N 3.1Å; A199-K203 PolarHBondContact O-N 3.37Å; A199-K203 VanDerWaalsContact O-N 3.12Å |
| 200 | E | 39.3 | Very low | 35.9 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 61% | 0.612 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68.1 | -38 | 171.4 | -91.3 | -163.1 | 137.6 | 0 | 0 | 112.5 | T196 N202 K203 L204 | T196-E200 PolarHBondContact O-N 3.29Å; T196-E200 VanDerWaalsContact O-N 3.11Å; E200-N202 VanDerWaalsContact C-N 3.29Å; E200-N202 PolarHBondContact O-N 2.88Å; E200-K203 PolarHBondContact O-N 2.71Å; E200-L204 PolarHBondContact O-N 3.22Å |
| 201 | R | 35.6 | Very low | 36.7 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 54% | 0.543 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -60.7 | -40 | 174.4 | -165.2 | -175.2 | 78.1 | 151.9 | 5 | 111.8 | Y197 L204 V205 | Y197-R201 WeakPolarHBondContact O-CB 3.16Å; Y197-R201 PolarHBondContact O-N 3.26Å; Y197-R201 VanDerWaalsContact O-N 3.12Å; R201-L204 PolarHBondContact O-N 3.36Å; R201-V205 WeakPolarHBondContact O-CG2 3.35Å; R201-V205 PolarHBondContact O-N 2.97Å |
| 202 | N | 36.5 | Very low | 36.4 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 48% | 0.481 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -76.1 | -22.1 | 178.5 | -71.1 | -7.3 | 0 | 0 | 0 | 113 | L198 A199 E200 V206 | L198-N202 PolarHBondContact O-N 3.44Å; A199-N202 PolarHBondContact O-N 3.1Å; E200-N202 VanDerWaalsContact C-N 3.29Å; E200-N202 PolarHBondContact O-N 2.88Å; N202-V206 WeakPolarHBondContact O-CG2 3.49Å |
| 203 | K | 41.7 | Very low | 36.7 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 75% | 0.752 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76 | -27.1 | 168.8 | -78.6 | -176.7 | 175.9 | -175.8 | 0 | 113.4 | A199 E200 | A199-K203 PolarHBondContact O-N 3.37Å; A199-K203 VanDerWaalsContact O-N 3.12Å; E200-K203 PolarHBondContact O-N 2.71Å |
| 204 | L | 40 | Very low | 37.5 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -80.9 | -11.4 | 176.9 | -77.5 | 165.1 | 0 | 0 | 0 | 114.5 | E200 R201 | E200-L204 PolarHBondContact O-N 3.22Å; R201-L204 PolarHBondContact O-N 3.36Å |
| 205 | V | 39.6 | Very low | 37.9 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 62% | 0.624 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -91.1 | -13.2 | 179.8 | 172.8 | 0 | 0 | 0 | 0 | 112.5 | R201 | R201-V205 WeakPolarHBondContact O-CG2 3.35Å; R201-V205 PolarHBondContact O-N 2.97Å |
| 206 | V | 40.2 | Very low | 38.4 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 64% | 0.642 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -96.7 | -22.1 | -165.7 | -179.2 | 0 | 0 | 0 | 0 | 116.9 | N202 | N202-V206 WeakPolarHBondContact O-CG2 3.49Š|
| 207 | P | 36.1 | Very low | 38.6 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 68% | 0.682 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 30.9 | -179.8 | 37.4 | -30.8 | 0 | 0 | 0 | 114.7 | ||
| 208 | A | 32.8 | Very low | 39.1 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 75% | 0.752 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 1.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 209 | V | 39.2 | Very low | 39.6 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -109.3 | -5.1 | -172.9 | -174 | 0 | 0 | 0 | 0 | 113.4 | ||
| 210 | E | 40.9 | Very low | 40.2 | Very low | 181 Ų | 181 | 131.1 Ų | 131.1 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -105 | 9.9 | -171.7 | -75.7 | -171.5 | 156.7 | 0 | 0 | 116.8 | ||
| 211 | K | 40.8 | Very low | 40.9 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 81% | 0.809 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -127.5 | 104.8 | 163.6 | -93.1 | -177.9 | 176.6 | 178.5 | 0 | 110.2 | ||
| 212 | Y | 32.9 | Very low | 42.4 | Very low | 210 Ų | 210 | 124.3 Ų | 124.3 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | S | Bend | trans | 106.9 | 119.5 | 169.4 | -63.7 | -76.5 | 0 | 0 | 0 | 116 | ||
| 213 | P | 35 | Very low | 43.4 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | trans | -67.6 | 140.5 | -176.4 | 27.8 | -32.6 | 0 | 0 | 0 | 111 | G215 | P213-G215 PolarHBondContact O-N 2.81Š| ||
| 214 | S | 45.7 | Very low | 44.2 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 87% | 0.867 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -46.7 | 116.6 | 159.5 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | ||
| 215 | G | 44.3 | Very low | 45.1 | Very low | 77 Ų | 77 | 120.1 Ų | 120.1 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | 154.2 | 3.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | P213 | P213-G215 PolarHBondContact O-N 2.81Š| ||
| 216 | V | 41.6 | Very low | 45.9 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | trans | -106.9 | 116.7 | 178.6 | -159.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 217 | A | 43.9 | Very low | 46.8 | Very low | 62 Ų | 62 | 119.3 Ų | 119.3 | 51% | 0.512 | 66% | 0.663 | S | S | . | * | trans | -67.9 | 137.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | K219 D220 | A217-K219 PolarHBondContact O-N 2.76Å; A217-D220 PolarHBondContact O-N 3.37Å | ||
| 218 | F | 44.4 | Very low | 48.2 | Very low | 154 Ų | 154 | 120 Ų | 120 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 0.3 | -179.7 | -95.7 | -90.7 | 0 | 0 | 0 | 116 | L226 | F218-L226 HydrophobicContact CD1-CD2 4.45Å; F218-L226 HydrophobicContact CE1-CD2 4.47Å |
| 219 | K | 47.3 | Very low | 49.4 | Very low | 194 Ų | 194 | 122.3 Ų | 122.3 | 84% | 0.843 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -12.6 | -177.6 | -76.4 | -178.1 | 174.7 | -179.6 | 0 | 114.3 | A217 | A217-K219 PolarHBondContact O-N 2.76Š|
| 220 | D | 45.7 | Very low | 50.2 | Low | 132 Ų | 132 | 122.8 Ų | 122.8 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -107.6 | 7.3 | -175 | -57.7 | -39.6 | 0 | 0 | 0 | 114.2 | A217 | A217-D220 PolarHBondContact O-N 3.37Š|
| 221 | L | 55.3 | Low | 51.4 | Low | 70 Ų | 70 | 121.5 Ų | 121.5 | 37% | 0.366 | 64% | 0.635 | S | S | . | * | trans | -89.3 | 126.1 | 175.7 | -71.8 | 103.9 | 0 | 0 | 0 | 111.1 | Q225 L226 | L221-Q225 HydrophobicContact CB-CB 4.38Å; L221-Q225 HydrophobicContact CD2-CB 4.06Å; L221-L226 HydrophobicContact CB-CD1 4.41Å; L221-L226 HydrophobicContact CB-CG 4.37Å | ||
| 222 | S | 65.9 | Low | 52.5 | Low | 62 Ų | 62 | 117.6 Ų | 117.6 | 43% | 0.434 | 62% | 0.619 | S | S | . | * | trans | -60.7 | 152.1 | 172.6 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | A224 Q225 L226 | S222-A224 PolarHBondContact O-N 3.27Å; S222-A224 VanDerWaalsContact O-N 3.07Å; S222-Q225 WeakPolarHBondContact O-CB 3.45Å; S222-Q225 PolarHBondContact O-N 3.04Å; S222-Q225 VanDerWaalsContact OG-CD 3.28Å; S222-Q225 WeakPolarHBondContact OG-CG 3.48Å; S222-Q225 PolarHBondContact OG-OE1 3.1Å; S222-L226 PolarHBondContact O-N 3.12Å | ||
| 223 | Q | 58.3 | Low | 53.5 | Low | 152 Ų | 152 | 110 Ų | 110 | 71% | 0.71 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -56.1 | -29.8 | -178.4 | -170.9 | 167.4 | 4.3 | 0 | 0 | 112.9 | Q227 | Q223-Q227 WeakPolarHBondContact O-CG 3.23Å; Q223-Q227 PolarHBondContact O-N 3.46Å; Q223-Q227 VanDerWaalsContact O-N 3.07Å |
| 224 | A | 59 | Low | 54.4 | Low | 67 Ų | 67 | 107.4 Ų | 107.4 | 55% | 0.554 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68 | -38 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S222 Q227 H228 | S222-A224 PolarHBondContact O-N 3.27Å; S222-A224 VanDerWaalsContact O-N 3.07Å; A224-Q227 PolarHBondContact O-N 3.49Å; A224-H228 PolarHBondContact O-N 3.22Å |
| 225 | Q | 58.9 | Low | 55 | Low | 103 Ų | 103 | 106.7 Ų | 106.7 | 48% | 0.481 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.9 | -36.4 | 178.5 | -69 | 162.6 | -50.5 | 0 | 0 | 111.6 | L221 S222 H228 Y229 | L221-Q225 HydrophobicContact CB-CB 4.38Å; L221-Q225 HydrophobicContact CD2-CB 4.06Å; S222-Q225 WeakPolarHBondContact O-CB 3.45Å; S222-Q225 PolarHBondContact O-N 3.04Å; S222-Q225 VanDerWaalsContact OG-CD 3.28Å; S222-Q225 WeakPolarHBondContact OG-CG 3.48Å; S222-Q225 PolarHBondContact OG-OE1 3.1Å; Q225-H228 PolarHBondContact O-N 3.38Å; Q225-Y229 WeakPolarHBondContact O-CB 3.45Å; Q225-Y229 PolarHBondContact O-N 3.39Å |
| 226 | L | 55.7 | Low | 55.5 | Low | 65 Ų | 65 | 107.5 Ų | 107.5 | 34% | 0.34 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.6 | -39.4 | 172.3 | -89.9 | 154.1 | 0 | 0 | 0 | 112.4 | F218 L221 S222 Y229 M230 | F218-L226 HydrophobicContact CD1-CD2 4.45Å; F218-L226 HydrophobicContact CE1-CD2 4.47Å; L221-L226 HydrophobicContact CB-CD1 4.41Å; L221-L226 HydrophobicContact CB-CG 4.37Å; S222-L226 PolarHBondContact O-N 3.12Å; L226-Y229 PolarHBondContact O-N 3.04Å; L226-M230 WeakPolarHBondContact O-CB 3.37Å; L226-M230 WeakPolarHBondContact O-CG 3.39Å; L226-M230 PolarHBondContact O-N 3.46Å |
| 227 | Q | 58.9 | Low | 56 | Low | 127 Ų | 127 | 107.4 Ų | 107.4 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 174.9 | -76.4 | 177.3 | -10.1 | 0 | 0 | 112.2 | Q223 A224 M230 K231 | Q223-Q227 WeakPolarHBondContact O-CG 3.23Å; Q223-Q227 PolarHBondContact O-N 3.46Å; Q223-Q227 VanDerWaalsContact O-N 3.07Å; A224-Q227 PolarHBondContact O-N 3.49Å; Q227-M230 PolarHBondContact O-N 3.09Å; Q227-K231 WeakPolarHBondContact O-CB 3.47Å; Q227-K231 PolarHBondContact O-N 3.38Å |
| 228 | H | 65.2 | Low | 56.6 | Low | 119 Ų | 119 | 107.6 Ų | 107.6 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.2 | -47.8 | 173.9 | -169.4 | -81 | 0 | 0 | 0 | 111.2 | A224 Q225 M230 K231 E232 | A224-H228 PolarHBondContact O-N 3.22Å; Q225-H228 PolarHBondContact O-N 3.38Å; H228-M230 PolarHBondContact O-N 2.73Å; H228-K231 PolarHBondContact O-N 3.01Å; H228-K231 VanDerWaalsContact O-N 3.16Å; H228-E232 IonicContact CE1-OE2 3.22Å; H228-E232 PolarHBondContact CE1-OE2 2.83Å; H228-E232 IonicContact ND1-OE2 2.88Å; H228-E232 PolarHBondContact ND1-OE2 3.24Å; H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 PolarHBondContact O-N 2.93Å |
| 229 | Y | 58.8 | Low | 57.1 | Low | 139 Ų | 139 | 106 Ų | 106 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 177.9 | -179.7 | -100.8 | 0 | 0 | 0 | 113 | Q225 L226 K231 S233 | Q225-Y229 WeakPolarHBondContact O-CB 3.45Å; Q225-Y229 PolarHBondContact O-N 3.39Å; L226-Y229 PolarHBondContact O-N 3.04Å; Y229-K231 VanDerWaalsContact C-N 3.34Å; Y229-K231 PolarHBondContact O-N 3.04Å; Y229-S233 WeakPolarHBondContact O-CB 3.35Å; Y229-S233 PolarHBondContact O-N 2.8Å; Y229-S233 PolarHBondContact O-OG 3Å |
| 230 | M | 55.9 | Low | 57.5 | Low | 131 Ų | 131 | 103.9 Ų | 103.9 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.3 | -36.7 | 176.6 | -72.2 | -88.8 | -73.6 | 0 | 0 | 112.3 | L226 Q227 H228 S233 A234 | L226-M230 WeakPolarHBondContact O-CB 3.37Å; L226-M230 WeakPolarHBondContact O-CG 3.39Å; L226-M230 PolarHBondContact O-N 3.46Å; Q227-M230 PolarHBondContact O-N 3.09Å; H228-M230 PolarHBondContact O-N 2.73Å; M230-S233 WeakPolarHBondContact CA-OG 3.3Å; M230-S233 PolarHBondContact O-OG 3.47Å; M230-A234 VanDerWaalsContact O-CB 3.23Å; M230-A234 WeakPolarHBondContact O-CB 3.3Å; M230-A234 PolarHBondContact O-N 3.41Å |
| 231 | K | 66.6 | Low | 57.7 | Low | 154 Ų | 154 | 102 Ų | 102 | 67% | 0.67 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.6 | -42.1 | 179.6 | -166 | 175.8 | -179 | -176.1 | 0 | 111.6 | Q227 H228 Y229 A234 Q235 | Q227-K231 WeakPolarHBondContact O-CB 3.47Å; Q227-K231 PolarHBondContact O-N 3.38Å; H228-K231 PolarHBondContact O-N 3.01Å; H228-K231 VanDerWaalsContact O-N 3.16Å; Y229-K231 VanDerWaalsContact C-N 3.34Å; Y229-K231 PolarHBondContact O-N 3.04Å; K231-A234 PolarHBondContact O-N 3.14Å; K231-Q235 WeakPolarHBondContact O-CB 3.48Å; K231-Q235 PolarHBondContact O-N 3.31Å |
| 232 | E | 64.1 | Low | 57.2 | Low | 103 Ų | 103 | 101.5 Ų | 101.5 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -40.5 | 179.6 | -163.3 | 172.6 | -175.1 | 0 | 0 | 111.7 | H228 Q235 L236 | H228-E232 IonicContact CE1-OE2 3.22Å; H228-E232 PolarHBondContact CE1-OE2 2.83Å; H228-E232 IonicContact ND1-OE2 2.88Å; H228-E232 PolarHBondContact ND1-OE2 3.24Å; H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 PolarHBondContact O-N 2.93Å; E232-Q235 PolarHBondContact O-N 2.84Å; E232-L236 WeakPolarHBondContact O-CG 3.43Å; E232-L236 PolarHBondContact O-N 3.11Å |
| 233 | S | 52.2 | Low | 55.9 | Low | 52 Ų | 52 | 106.4 Ų | 106.4 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68 | -35.4 | 173.2 | 54.5 | 0 | 0 | 0 | 0 | 113.2 | Y229 M230 L237 | Y229-S233 WeakPolarHBondContact O-CB 3.35Å; Y229-S233 PolarHBondContact O-N 2.8Å; Y229-S233 PolarHBondContact O-OG 3Å; M230-S233 WeakPolarHBondContact CA-OG 3.3Å; M230-S233 PolarHBondContact O-OG 3.47Å; S233-L237 WeakPolarHBondContact O-CB 3.41Å; S233-L237 PolarHBondContact O-N 3.32Å |
| 234 | A | 55.2 | Low | 55.3 | Low | 56 Ų | 56 | 107.1 Ų | 107.1 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.8 | -36.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M230 K231 L237 S238 | M230-A234 VanDerWaalsContact O-CB 3.23Å; M230-A234 WeakPolarHBondContact O-CB 3.3Å; M230-A234 PolarHBondContact O-N 3.41Å; K231-A234 PolarHBondContact O-N 3.14Å; A234-L237 PolarHBondContact O-N 2.96Å; A234-S238 WeakPolarHBondContact O-CB 3.49Å; A234-S238 PolarHBondContact O-N 2.95Å; A234-S238 PolarHBondContact O-OG 3.14Å |
| 235 | Q | 58 | Low | 54.1 | Low | 108 Ų | 108 | 107.8 Ų | 107.8 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 178.5 | -163 | 163.1 | -5.4 | 0 | 0 | 111.3 | K231 E232 L237 S238 E239 | K231-Q235 WeakPolarHBondContact O-CB 3.48Å; K231-Q235 PolarHBondContact O-N 3.31Å; E232-Q235 PolarHBondContact O-N 2.84Å; Q235-L237 VanDerWaalsContact C-N 3.29Å; Q235-L237 PolarHBondContact O-N 3.46Å; Q235-S238 WeakPolarHBondContact CA-OG 3.4Å; Q235-S238 PolarHBondContact O-N 2.89Å; Q235-S238 VanDerWaalsContact O-N 3.12Å; Q235-S238 PolarHBondContact O-OG 3.4Å; Q235-E239 PolarHBondContact O-N 2.92Å |
| 236 | L | 55.2 | Low | 53.1 | Low | 95 Ų | 95 | 106 Ų | 106 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -33.9 | 173 | -74.6 | 168.3 | 0 | 0 | 0 | 113.1 | E232 K240 | E232-L236 WeakPolarHBondContact O-CG 3.43Å; E232-L236 PolarHBondContact O-N 3.11Å; L236-K240 WeakPolarHBondContact O-CB 3.12Å; L236-K240 PolarHBondContact O-N 2.85Å |
| 237 | L | 51.7 | Low | 52.3 | Low | 111 Ų | 111 | 109.6 Ų | 109.6 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.8 | -38.2 | 174.2 | -165.6 | 68.9 | 0 | 0 | 0 | 111.2 | S233 A234 Q235 K240 I241 | S233-L237 WeakPolarHBondContact O-CB 3.41Å; S233-L237 PolarHBondContact O-N 3.32Å; A234-L237 PolarHBondContact O-N 2.96Å; Q235-L237 VanDerWaalsContact C-N 3.29Å; Q235-L237 PolarHBondContact O-N 3.46Å; L237-K240 PolarHBondContact O-N 3.5Å; L237-I241 HydrophobicContact CG-CD1 3.97Å; L237-I241 WeakPolarHBondContact O-CB 3.46Å; L237-I241 WeakPolarHBondContact O-CD1 3.17Å; L237-I241 WeakPolarHBondContact O-CG1 3.39Å; L237-I241 PolarHBondContact O-N 3.35Å |
| 238 | S | 56.5 | Low | 51.5 | Low | 66 Ų | 66 | 112.3 Ų | 112.3 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.2 | -39.3 | 177.7 | 75.3 | 0 | 0 | 0 | 0 | 113.1 | A234 Q235 I241 A242 | A234-S238 WeakPolarHBondContact O-CB 3.49Å; A234-S238 PolarHBondContact O-N 2.95Å; A234-S238 PolarHBondContact O-OG 3.14Å; Q235-S238 WeakPolarHBondContact CA-OG 3.4Å; Q235-S238 PolarHBondContact O-N 2.89Å; Q235-S238 VanDerWaalsContact O-N 3.12Å; Q235-S238 PolarHBondContact O-OG 3.4Å; S238-I241 PolarHBondContact O-N 3.05Å; S238-A242 WeakPolarHBondContact O-CB 3.39Å; S238-A242 PolarHBondContact O-N 3.49Å |
| 239 | E | 55.6 | Low | 50.6 | Low | 120 Ų | 120 | 111.1 Ų | 111.1 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.2 | -38.1 | 175.2 | -75.7 | 177.8 | 169.5 | 0 | 0 | 111.7 | Q235 A242 F243 | Q235-E239 PolarHBondContact O-N 2.92Å; E239-A242 PolarHBondContact O-N 3.05Å; E239-F243 WeakPolarHBondContact O-CB 3.31Å; E239-F243 PolarHBondContact O-N 3.41Å |
| 240 | K | 55.1 | Low | 49.8 | Very low | 149 Ų | 149 | 115.5 Ų | 115.5 | 65% | 0.648 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71 | -29.5 | 173.7 | -82.8 | 175.5 | 178.4 | 172.1 | 0 | 113.7 | L236 L237 K244 | L236-K240 WeakPolarHBondContact O-CB 3.12Å; L236-K240 PolarHBondContact O-N 2.85Å; L237-K240 PolarHBondContact O-N 3.5Å; K240-K244 PolarHBondContact O-N 3.29Å |
| 241 | I | 50 | Low | 49.1 | Very low | 93 Ų | 93 | 112.9 Ų | 112.9 | 48% | 0.477 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.7 | -41.1 | 171.6 | -69.5 | 164.6 | 0 | 0 | 0 | 109.6 | L237 S238 F243 K244 T245 | L237-I241 HydrophobicContact CG-CD1 3.97Å; L237-I241 WeakPolarHBondContact O-CB 3.46Å; L237-I241 WeakPolarHBondContact O-CD1 3.17Å; L237-I241 WeakPolarHBondContact O-CG1 3.39Å; L237-I241 PolarHBondContact O-N 3.35Å; S238-I241 PolarHBondContact O-N 3.05Å; I241-F243 VanDerWaalsContact C-N 3.35Å; I241-F243 PolarHBondContact O-N 3.28Å; I241-K244 CarbonylContact O-C 3.52Å; I241-K244 PolarHBondContact O-N 2.83Å; I241-K244 VanDerWaalsContact O-N 3.14Å; I241-T245 HydrophobicContact CG2-CG2 4.03Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 3.49Å; I241-T245 PolarHBondContact O-OG1 3.18Å |
| 242 | A | 44.9 | Very low | 48 | Very low | 59 Ų | 59 | 109.3 Ų | 109.3 | 49% | 0.488 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.2 | -38.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S238 E239 K244 T245 S246 | S238-A242 WeakPolarHBondContact O-CB 3.39Å; S238-A242 PolarHBondContact O-N 3.49Å; E239-A242 PolarHBondContact O-N 3.05Å; A242-K244 VanDerWaalsContact C-N 3.29Å; A242-K244 PolarHBondContact O-N 3.3Å; A242-T245 WeakPolarHBondContact CA-OG1 3.23Å; A242-T245 PolarHBondContact O-OG1 2.8Å; A242-S246 PolarHBondContact O-N 2.75Å |
| 243 | F | 38.6 | Very low | 47.5 | Very low | 165 Ų | 165 | 111 Ų | 111 | 72% | 0.724 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -73.4 | -17.5 | 176 | -148.4 | -90.1 | 0 | 0 | 0 | 113.4 | E239 I241 S246 | E239-F243 WeakPolarHBondContact O-CB 3.31Å; E239-F243 PolarHBondContact O-N 3.41Å; I241-F243 VanDerWaalsContact C-N 3.35Å; I241-F243 PolarHBondContact O-N 3.28Å; F243-S246 PolarHBondContact O-OG 3.28Å |
| 244 | K | 44.3 | Very low | 47.6 | Very low | 168 Ų | 168 | 115.9 Ų | 115.9 | 73% | 0.73 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -100.8 | -17.4 | 175.7 | -79.4 | -176.9 | 176 | 179.9 | 0 | 114.1 | K240 I241 A242 | K240-K244 PolarHBondContact O-N 3.29Å; I241-K244 CarbonylContact O-C 3.52Å; I241-K244 PolarHBondContact O-N 2.83Å; I241-K244 VanDerWaalsContact O-N 3.14Å; A242-K244 VanDerWaalsContact C-N 3.29Å; A242-K244 PolarHBondContact O-N 3.3Å |
| 245 | T | 34.1 | Very low | 47.7 | Very low | 81 Ų | 81 | 116.6 Ų | 116.6 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -85.5 | -19.1 | 175.4 | 49 | 0 | 0 | 0 | 0 | 113 | I241 A242 D247 F248 | I241-T245 HydrophobicContact CG2-CG2 4.03Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 3.49Å; I241-T245 PolarHBondContact O-OG1 3.18Å; A242-T245 WeakPolarHBondContact CA-OG1 3.23Å; A242-T245 PolarHBondContact O-OG1 2.8Å; T245-D247 VanDerWaalsContact C-N 3.29Å; T245-D247 PolarHBondContact O-N 3.04Å; T245-F248 PolarHBondContact O-N 3.34Å |
| 246 | S | 38.6 | Very low | 47.8 | Very low | 64 Ų | 64 | 120.7 Ų | 120.7 | 45% | 0.448 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | -29.4 | 172.9 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | A242 F243 | A242-S246 PolarHBondContact O-N 2.75Å; F243-S246 PolarHBondContact O-OG 3.28Å |
| 247 | D | 39 | Very low | 48.4 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -7.6 | -179.4 | -69.9 | -22.3 | 0 | 0 | 0 | 114.1 | T245 | T245-D247 VanDerWaalsContact C-N 3.29Å; T245-D247 PolarHBondContact O-N 3.04Å |
| 248 | F | 43 | Very low | 49.5 | Very low | 185 Ų | 185 | 123.9 Ų | 123.9 | 81% | 0.811 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | -0.4 | -175.8 | -144.7 | -97.4 | 0 | 0 | 0 | 115.2 | T245 | T245-F248 PolarHBondContact O-N 3.34Š|
| 249 | S | 46.1 | Very low | 51 | Low | 94 Ų | 94 | 124.6 Ų | 124.6 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -149.5 | 75.2 | 175.6 | -53.8 | 0 | 0 | 0 | 0 | 112.9 | ||
| 250 | R | 40.8 | Very low | 52.5 | Low | 231 Ų | 231 | 121.1 Ų | 121.1 | 87% | 0.872 | 65% | 0.653 | S | S | * | * | trans | -154.8 | 59.2 | 150.2 | -110.2 | -179.3 | -76.5 | 173.7 | -2.2 | 110.5 | S252 | R250-S252 PolarHBondContact O-N 3.14Š| ||
| 251 | G | 41.2 | Very low | 54 | Low | 75 Ų | 75 | 117.3 Ų | 117.3 | 77% | 0.773 | 64% | 0.642 | S | S | * | * | trans | -64.9 | 119.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 252 | S | 43.8 | Very low | 56 | Low | 80 Ų | 80 | 113 Ų | 113 | 56% | 0.559 | 62% | 0.62 | S | S | * | * | trans | -48.1 | 134.5 | 174.1 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | R250 N254 A255 | R250-S252 PolarHBondContact O-N 3.14Å; S252-N254 PolarHBondContact O-N 2.8Å; S252-A255 PolarHBondContact O-N 3.29Å | ||
| 253 | P | 54.5 | Low | 58.1 | Low | 139 Ų | 139 | 119.6 Ų | 119.6 | 90% | 0.903 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 3.7 | -179.7 | 23.9 | -31.2 | 0 | 0 | 0 | 114.3 | ||
| 254 | N | 54.1 | Low | 60.5 | Low | 154 Ų | 154 | 116.1 Ų | 116.1 | 82% | 0.824 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 12.7 | 179.6 | -118.9 | -19.2 | 0 | 0 | 0 | 115.4 | S252 | S252-N254 PolarHBondContact O-N 2.8Š|
| 255 | A | 56.9 | Low | 62.7 | Low | 71 Ų | 71 | 110.6 Ų | 110.6 | 59% | 0.587 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -83.4 | 117.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | S252 | S252-A255 PolarHBondContact O-N 3.29Š|
| 256 | K | 60.7 | Low | 65.2 | Low | 193 Ų | 193 | 109 Ų | 109 | 84% | 0.839 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 126.6 | 174.1 | -67 | 177.5 | -178.2 | 176.6 | 0 | 109.2 | K258 | K256-K258 PolarHBondContact O-N 3.37Š|
| 257 | P | 66.2 | Low | 67.6 | Low | 110 Ų | 110 | 111.7 Ų | 111.7 | 71% | 0.714 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 117.7 | -179 | 22.8 | -31 | 0 | 0 | 0 | 108.6 | V259 | P257-V259 PolarHBondContact O-N 3.27Š|
| 258 | K | 75.5 | Confident | 70.1 | Confident | 163 Ų | 163 | 109.1 Ų | 109.1 | 71% | 0.709 | 61% | 0.608 | S | S | * | * | trans | -65.8 | 103.5 | 175.6 | -171.1 | 172.4 | -176.5 | 174.3 | 0 | 107.9 | K256 F260 | K256-K258 PolarHBondContact O-N 3.37Å; K258-F260 HydrophobicContact CD-CZ 4.11Å; K258-F260 HydrophobicContact CG-CE2 4.3Å; K258-F260 HydrophobicContact CG-CZ 4.09Å | ||
| 259 | V | 87.3 | Confident | 72.3 | Confident | 81 Ų | 81 | 102.2 Ų | 102.2 | 49% | 0.491 | 58% | 0.578 | S | S | . | * | trans | -93.8 | 146.7 | 178.8 | -69.7 | 0 | 0 | 0 | 0 | 110.5 | P257 V268 F269 | P257-V259 PolarHBondContact O-N 3.27Å; V259-V268 HydrophobicContact CB-CG1 3.48Å; V259-V268 VanDerWaalsContact CB-CG1 3.48Å; V259-V268 HydrophobicContact CG1-CG1 3.78Å; V259-V268 HydrophobicContact CG2-CG1 4.05Å; V259-F269 WeakPolarHBondContact CA-O 3.29Å | ||
| 260 | F | 87.3 | Confident | 74.4 | Confident | 48 Ų | 48 | 103.8 Ų | 103.8 | 21% | 0.211 | 58% | 0.579 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.4 | 112.5 | 179.7 | -61.6 | -89.5 | 0 | 0 | 0 | 108.2 | K258 F269 H272 L275 | K258-F260 HydrophobicContact CD-CZ 4.11Å; K258-F260 HydrophobicContact CG-CE2 4.3Å; K258-F260 HydrophobicContact CG-CZ 4.09Å; F260-F269 HydrophobicContact CB-CB 4.46Å; F260-F269 PolarHBondContact N-O 3.17Å; F260-F269 WeakPolarHBondContact O-CB 3.5Å; F260-F269 WeakPolarHBondContact O-CD2 3.27Å; F260-F269 PolarHBondContact O-N 3.45Å; F260-H272 HydrophobicContact CD1-CB 3.98Å; F260-H272 AromaticContact CD1-CD2 3.86Å; F260-H272 HydrophobicContact CD2-CB 4.45Å; F260-H272 VanDerWaalsContact CD2-N 3.31Å; F260-H272 HydrophobicContact CE1-CB 3.73Å; F260-H272 AromaticContact CE1-CD2 3.94Å; F260-H272 HydrophobicContact CE2-CB 4.23Å; F260-H272 HydrophobicContact CG-CB 4.33Å; F260-H272 HydrophobicContact CZ-CB 3.85Å; F260-L275 HydrophobicContact CB-CB 4.25Å; F260-L275 HydrophobicContact CB-CD2 3.97Å |
| 261 | T | 87.2 | Confident | 76.7 | Confident | 69 Ų | 69 | 93.7 Ų | 93.7 | 42% | 0.423 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.7 | -177.4 | -54.4 | 0 | 0 | 0 | 0 | 110.1 | E263 K267 V268 | T261-E263 PolarHBondContact O-N 3.28Å; T261-K267 CarbonylContact C-O 3.59Å; T261-K267 WeakPolarHBondContact CA-O 3.1Å; T261-V268 HydrophobicContact CG2-CG2 4.28Å |
| 262 | C | 91.4 | Very high | 78.8 | Confident | 1 Ų | 1 | 95.5 Ų | 95.5 | 1% | 0.007 | 53% | 0.532 | C | S | . | . | trans | -75.8 | 120.3 | 169.6 | 178.8 | 0 | 0 | 0 | 0 | 109.8 | V264 G266 K267 F269 L275 H282 | C262-V264 PolarHBondContact O-N 3.06Å; C262-G266 WeakPolarHBondContact O-CA 3.32Å; C262-G266 PolarHBondContact O-N 3.03Å; C262-K267 PolarHBondContact N-O 3.42Å; C262-F269 HydrophobicContact CB-CE2 4.05Å; C262-L275 HydrophobicContact CB-CD1 3.59Å; C262-H282 PolarHBondContact SG-NE2 3.15Å | ||
| 263 | E | 88.7 | Confident | 80.8 | Confident | 198 Ų | 198 | 98.8 Ų | 98.8 | 93% | 0.925 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -26.6 | -179.9 | -64.6 | 172.2 | -176.5 | 0 | 0 | 112.9 | T261 | T261-E263 PolarHBondContact O-N 3.28Š|
| 264 | V | 89.8 | Confident | 82.4 | Confident | 93 Ų | 93 | 93.1 Ų | 93.1 | 56% | 0.564 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -33.7 | -176.1 | -173.1 | 0 | 0 | 0 | 0 | 112.9 | C262 H282 | C262-V264 PolarHBondContact O-N 3.06Å; V264-H282 HydrophobicContact CG1-CB 4.17Å; V264-H282 VanDerWaalsContact CG1-ND1 3.34Å; V264-H282 WeakPolarHBondContact CG1-ND1 3.46Å; V264-H282 HydrophobicContact CG2-CB 4.48Å |
| 265 | C | 90.2 | Very high | 84 | Confident | 51 Ų | 51 | 87 Ų | 87 | 35% | 0.345 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 6.7 | -176.8 | 68.4 | 0 | 0 | 0 | 0 | 115.5 | K267 H278 H282 | C265-K267 PolarHBondContact O-N 3.41Å; C265-K267 VanDerWaalsContact O-N 3.08Å; C265-K267 VanDerWaalsContact SG-CG 3.55Å; C265-H278 PolarHBondContact SG-NE2 3.31Å; C265-H282 PolarHBondContact SG-NE2 2.95Å |
| 266 | G | 87.6 | Confident | 85.4 | Confident | 49 Ų | 49 | 87.1 Ų | 87.1 | 51% | 0.505 | 46% | 0.457 | S | S | . | . | trans | 66.1 | 7.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C262 V268 | C262-G266 WeakPolarHBondContact O-CA 3.32Å; C262-G266 PolarHBondContact O-N 3.03Å; G266-V268 PolarHBondContact O-N 2.86Å | ||
| 267 | K | 88.5 | Confident | 86.7 | Confident | 119 Ų | 119 | 83.5 Ų | 83.5 | 52% | 0.517 | 44% | 0.438 | S | S | . | . | trans | -70.9 | 130.4 | -179.1 | -75.1 | -179 | -174.9 | 177.6 | 0 | 111 | T261 C262 C265 F269 | T261-K267 CarbonylContact C-O 3.59Å; T261-K267 WeakPolarHBondContact CA-O 3.1Å; C262-K267 PolarHBondContact N-O 3.42Å; C265-K267 PolarHBondContact O-N 3.41Å; C265-K267 VanDerWaalsContact O-N 3.08Å; C265-K267 VanDerWaalsContact SG-CG 3.55Å; K267-F269 HydrophobicContact CB-CE2 3.8Å; K267-F269 HydrophobicContact CB-CZ 3.92Å; K267-F269 WeakPolarHBondContact O-CD2 3.35Å; K267-F269 WeakPolarHBondContact O-CE2 3.23Å | ||
| 268 | V | 90.3 | Very high | 87.8 | Confident | 87 Ų | 87 | 79.2 Ų | 79.2 | 53% | 0.527 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.2 | -178.8 | -171.6 | 0 | 0 | 0 | 0 | 110 | V259 T261 G266 | V259-V268 HydrophobicContact CB-CG1 3.48Å; V259-V268 VanDerWaalsContact CB-CG1 3.48Å; V259-V268 HydrophobicContact CG1-CG1 3.78Å; V259-V268 HydrophobicContact CG2-CG1 4.05Å; T261-V268 HydrophobicContact CG2-CG2 4.28Å; G266-V268 PolarHBondContact O-N 2.86Å |
| 269 | F | 90.3 | Very high | 88.3 | Confident | 41 Ų | 41 | 74.9 Ų | 74.9 | 18% | 0.18 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 144.9 | 178.7 | -60.6 | -83 | 0 | 0 | 0 | 110.2 | V259 F260 C262 K267 A271 N274 L275 H278 | V259-F269 WeakPolarHBondContact CA-O 3.29Å; F260-F269 HydrophobicContact CB-CB 4.46Å; F260-F269 PolarHBondContact N-O 3.17Å; F260-F269 WeakPolarHBondContact O-CB 3.5Å; F260-F269 WeakPolarHBondContact O-CD2 3.27Å; F260-F269 PolarHBondContact O-N 3.45Å; C262-F269 HydrophobicContact CB-CE2 4.05Å; K267-F269 HydrophobicContact CB-CE2 3.8Å; K267-F269 HydrophobicContact CB-CZ 3.92Å; K267-F269 WeakPolarHBondContact O-CD2 3.35Å; K267-F269 WeakPolarHBondContact O-CE2 3.23Å; F269-A271 PolarHBondContact O-N 3.49Å; F269-N274 HydrophobicContact CB-CB 4.07Å; F269-N274 HydrophobicContact CD1-CB 3.85Å; F269-N274 HydrophobicContact CG-CB 4.23Å; F269-L275 HydrophobicContact CB-CB 4.46Å; F269-L275 HydrophobicContact CD2-CB 3.95Å; F269-L275 HydrophobicContact CD2-CD1 3.81Å; F269-L275 HydrophobicContact CD2-CG 4.48Å; F269-L275 HydrophobicContact CE2-CD1 3.88Å; F269-L275 HydrophobicContact CG-CB 4.33Å; F269-H278 HydrophobicContact CE1-CB 4.06Å; F269-H278 HydrophobicContact CE2-CB 4.03Å; F269-H278 AromaticContact CE2-CD2 3.57Å; F269-H278 AromaticContact CE2-CG 3.82Å; F269-H278 HydrophobicContact CZ-CB 3.53Å; F269-H278 AromaticContact CZ-CD2 3.48Å; F269-H278 VanDerWaalsContact CZ-CD2 3.48Å; F269-H278 WeakPolarHBondContact CZ-CD2 3.49Å; F269-H278 AromaticContact CZ-CG 3.29Å; F269-H278 AromaticContact CZ-ND1 3.78Å |
| 270 | N | 89.4 | Confident | 88.4 | Confident | 127 Ų | 127 | 72 Ų | 72 | 68% | 0.679 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -80.2 | -3 | 177.1 | 64.5 | -8.7 | 0 | 0 | 0 | 113.8 | N274 | N270-N274 PolarHBondContact OD1-ND2 2.8Š|
| 271 | A | 89.1 | Confident | 88.5 | Confident | 18 Ų | 18 | 72.5 Ų | 72.5 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -155.3 | 145.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F269 Y273 N274 L275 | F269-A271 PolarHBondContact O-N 3.49Å; A271-Y273 VanDerWaalsContact C-N 3.33Å; A271-Y273 HydrophobicContact CB-CD1 3.47Å; A271-Y273 VanDerWaalsContact CB-CD1 3.47Å; A271-Y273 HydrophobicContact CB-CE1 3.23Å; A271-Y273 HydrophobicContact CB-CG 4.44Å; A271-Y273 PolarHBondContact O-N 3.36Å; A271-N274 WeakPolarHBondContact O-CB 3.05Å; A271-N274 PolarHBondContact O-N 3.44Å; A271-N274 VanDerWaalsContact O-N 3.1Å; A271-L275 PolarHBondContact O-N 3.41Å |
| 272 | H | 86.1 | Confident | 88.5 | Confident | 113 Ų | 113 | 72.5 Ų | 72.5 | 52% | 0.523 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -38.1 | -179.9 | -173.3 | -94.8 | 0 | 0 | 0 | 113.1 | F260 N274 L275 T276 | F260-H272 HydrophobicContact CD1-CB 3.98Å; F260-H272 AromaticContact CD1-CD2 3.86Å; F260-H272 HydrophobicContact CD2-CB 4.45Å; F260-H272 VanDerWaalsContact CD2-N 3.31Å; F260-H272 HydrophobicContact CE1-CB 3.73Å; F260-H272 AromaticContact CE1-CD2 3.94Å; F260-H272 HydrophobicContact CE2-CB 4.23Å; F260-H272 HydrophobicContact CG-CB 4.33Å; F260-H272 HydrophobicContact CZ-CB 3.85Å; H272-N274 PolarHBondContact O-N 3.14Å; H272-L275 PolarHBondContact O-N 2.94Å; H272-T276 PolarHBondContact CE1-OG1 3.44Å; H272-T276 PolarHBondContact ND1-OG1 3.01Å; H272-T276 PolarHBondContact O-N 3.46Å; H272-T276 PolarHBondContact O-OG1 3.35Å |
| 273 | Y | 86 | Confident | 88.2 | Confident | 149 Ų | 149 | 77.2 Ų | 77.2 | 58% | 0.584 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.8 | -30.6 | 177.6 | 77 | -95 | 0 | 0 | 0 | 112.2 | A271 R277 | A271-Y273 VanDerWaalsContact C-N 3.33Å; A271-Y273 HydrophobicContact CB-CD1 3.47Å; A271-Y273 VanDerWaalsContact CB-CD1 3.47Å; A271-Y273 HydrophobicContact CB-CE1 3.23Å; A271-Y273 HydrophobicContact CB-CG 4.44Å; A271-Y273 PolarHBondContact O-N 3.36Å; Y273-R277 VanDerWaalsContact O-CB 3.29Å; Y273-R277 WeakPolarHBondContact O-CB 3.37Å; Y273-R277 PolarHBondContact O-N 2.93Å |
| 274 | N | 88.1 | Confident | 88.1 | Confident | 21 Ų | 21 | 69.8 Ų | 69.8 | 11% | 0.112 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.3 | -41.6 | 176.1 | -79 | -39.8 | 0 | 0 | 0 | 111.3 | F269 N270 A271 H272 R277 H278 | F269-N274 HydrophobicContact CB-CB 4.07Å; F269-N274 HydrophobicContact CD1-CB 3.85Å; F269-N274 HydrophobicContact CG-CB 4.23Å; N270-N274 PolarHBondContact OD1-ND2 2.8Å; A271-N274 WeakPolarHBondContact O-CB 3.05Å; A271-N274 PolarHBondContact O-N 3.44Å; A271-N274 VanDerWaalsContact O-N 3.1Å; H272-N274 PolarHBondContact O-N 3.14Å; N274-R277 PolarHBondContact O-N 3.11Å; N274-R277 PolarHBondContact OD1-NH2 2.7Å; N274-H278 WeakPolarHBondContact O-CB 3.41Å; N274-H278 PolarHBondContact O-N 3.41Å |
| 275 | L | 88.2 | Confident | 88 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 13% | 0.131 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 172.2 | 176 | 60.9 | 0 | 0 | 0 | 110.9 | F260 C262 F269 A271 H272 R277 H278 M279 | F260-L275 HydrophobicContact CB-CB 4.25Å; F260-L275 HydrophobicContact CB-CD2 3.97Å; C262-L275 HydrophobicContact CB-CD1 3.59Å; F269-L275 HydrophobicContact CB-CB 4.46Å; F269-L275 HydrophobicContact CD2-CB 3.95Å; F269-L275 HydrophobicContact CD2-CD1 3.81Å; F269-L275 HydrophobicContact CD2-CG 4.48Å; F269-L275 HydrophobicContact CE2-CD1 3.88Å; F269-L275 HydrophobicContact CG-CB 4.33Å; A271-L275 PolarHBondContact O-N 3.41Å; H272-L275 PolarHBondContact O-N 2.94Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3.21Å; L275-H278 CarbonylContact O-C 3.53Å; L275-H278 WeakPolarHBondContact O-CA 3.46Å; L275-H278 VanDerWaalsContact O-CB 3.27Å; L275-H278 WeakPolarHBondContact O-CB 3.28Å; L275-H278 PolarHBondContact O-N 3.47Å; L275-M279 HydrophobicContact CD1-SD 3.94Å; L275-M279 HydrophobicContact CG-SD 4.45Å; L275-M279 WeakPolarHBondContact O-CG 3.17Å; L275-M279 PolarHBondContact O-N 3.32Å |
| 276 | T | 86.1 | Confident | 87.9 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.4 | -44.4 | 177.8 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | H272 H278 M279 P280 | H272-T276 PolarHBondContact CE1-OG1 3.44Å; H272-T276 PolarHBondContact ND1-OG1 3.01Å; H272-T276 PolarHBondContact O-N 3.46Å; H272-T276 PolarHBondContact O-OG1 3.35Å; T276-H278 PolarHBondContact O-N 3.07Å; T276-M279 PolarHBondContact O-N 3.3Å; T276-P280 VanDerWaalsContact O-CD 3.29Å; T276-P280 WeakPolarHBondContact O-CD 3.46Å |
| 277 | R | 87.5 | Confident | 87.8 | Confident | 117 Ų | 117 | 73 Ų | 73 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.5 | -20.9 | 175.8 | -175 | 172 | 66.3 | 174.5 | -4.5 | 113.4 | Y273 N274 L275 Q299 | Y273-R277 VanDerWaalsContact O-CB 3.29Å; Y273-R277 WeakPolarHBondContact O-CB 3.37Å; Y273-R277 PolarHBondContact O-N 2.93Å; N274-R277 PolarHBondContact O-N 3.11Å; N274-R277 PolarHBondContact OD1-NH2 2.7Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3.21Å; R277-Q299 VanDerWaalsContact CD-NE2 3.3Å; R277-Q299 HydrophobicContact CG-CG 3.96Å; R277-Q299 VanDerWaalsContact CG-NE2 3.29Å |
| 278 | H | 88.2 | Confident | 87.9 | Confident | 19 Ų | 19 | 71 Ų | 71 | 9% | 0.088 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -82.6 | -32.9 | 176.4 | 175.4 | 66.2 | 0 | 0 | 0 | 112.5 | C265 F269 N274 L275 T276 P280 V281 H282 | C265-H278 PolarHBondContact SG-NE2 3.31Å; F269-H278 HydrophobicContact CE1-CB 4.06Å; F269-H278 HydrophobicContact CE2-CB 4.03Å; F269-H278 AromaticContact CE2-CD2 3.57Å; F269-H278 AromaticContact CE2-CG 3.82Å; F269-H278 HydrophobicContact CZ-CB 3.53Å; F269-H278 AromaticContact CZ-CD2 3.48Å; F269-H278 VanDerWaalsContact CZ-CD2 3.48Å; F269-H278 WeakPolarHBondContact CZ-CD2 3.49Å; F269-H278 AromaticContact CZ-CG 3.29Å; F269-H278 AromaticContact CZ-ND1 3.78Å; N274-H278 WeakPolarHBondContact O-CB 3.41Å; N274-H278 PolarHBondContact O-N 3.41Å; L275-H278 CarbonylContact O-C 3.53Å; L275-H278 WeakPolarHBondContact O-CA 3.46Å; L275-H278 VanDerWaalsContact O-CB 3.27Å; L275-H278 WeakPolarHBondContact O-CB 3.28Å; L275-H278 PolarHBondContact O-N 3.47Å; T276-H278 PolarHBondContact O-N 3.07Å; H278-P280 VanDerWaalsContact C-N 3.33Å; H278-P280 VanDerWaalsContact O-N 3.16Å; H278-V281 WeakPolarHBondContact O-CB 3.38Å; H278-V281 WeakPolarHBondContact O-CG2 3.31Å; H278-V281 PolarHBondContact O-N 2.82Å; H278-H282 AromaticContact CD2-NE2 3.94Å; H278-H282 AromaticContact CE1-NE2 3.83Å; H278-H282 AromaticContact NE2-CD2 3.86Å; H278-H282 AromaticContact NE2-NE2 3.15Å; H278-H282 PolarHBondContact NE2-NE2 3.11Å; H278-H282 VanDerWaalsContact NE2-NE2 3.15Å |
| 279 | M | 87.2 | Confident | 87.9 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 36% | 0.355 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -38.1 | -178 | -62.5 | -49.5 | -70.2 | 0 | 0 | 115.7 | L275 T276 V281 H282 T283 | L275-M279 HydrophobicContact CD1-SD 3.94Å; L275-M279 HydrophobicContact CG-SD 4.45Å; L275-M279 WeakPolarHBondContact O-CG 3.17Å; L275-M279 PolarHBondContact O-N 3.32Å; T276-M279 PolarHBondContact O-N 3.3Å; M279-V281 PolarHBondContact O-N 3.27Å; M279-H282 PolarHBondContact O-N 3.25Å; M279-T283 PolarHBondContact O-N 3.42Å |
| 280 | P | 90.1 | Very high | 88 | Confident | 20 Ų | 20 | 68.7 Ų | 68.7 | 13% | 0.13 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.9 | -12.5 | 173.6 | -26.2 | 35.5 | 0 | 0 | 0 | 115 | T276 H278 G284 A285 R298 | T276-P280 VanDerWaalsContact O-CD 3.29Å; T276-P280 WeakPolarHBondContact O-CD 3.46Å; H278-P280 VanDerWaalsContact C-N 3.33Å; H278-P280 VanDerWaalsContact O-N 3.16Å; P280-G284 PolarHBondContact O-N 3.22Å; P280-A285 HydrophobicContact CB-CB 4.48Å; P280-A285 WeakPolarHBondContact CB-O 3.27Å; P280-R298 HydrophobicContact CB-CB 4.17Å; P280-R298 HydrophobicContact CB-CG 3.93Å; P280-R298 PolarHBondContact O-NE 2.96Å |
| 281 | V | 88.3 | Confident | 88.1 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 172.6 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | H278 M279 R298 | H278-V281 WeakPolarHBondContact O-CB 3.38Å; H278-V281 WeakPolarHBondContact O-CG2 3.31Å; H278-V281 PolarHBondContact O-N 2.82Å; M279-V281 PolarHBondContact O-N 3.27Å; V281-R298 VanDerWaalsContact CA-CZ 3.46Å; V281-R298 PolarHBondContact O-NH2 3.06Å |
| 282 | H | 87.4 | Confident | 88.1 | Confident | 69 Ų | 69 | 77 Ų | 77 | 32% | 0.319 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -85.3 | -44.2 | -176.8 | -65.7 | -58.6 | 0 | 0 | 0 | 112.4 | C262 V264 C265 H278 M279 G284 | C262-H282 PolarHBondContact SG-NE2 3.15Å; V264-H282 HydrophobicContact CG1-CB 4.17Å; V264-H282 VanDerWaalsContact CG1-ND1 3.34Å; V264-H282 WeakPolarHBondContact CG1-ND1 3.46Å; V264-H282 HydrophobicContact CG2-CB 4.48Å; C265-H282 PolarHBondContact SG-NE2 2.95Å; H278-H282 AromaticContact CD2-NE2 3.94Å; H278-H282 AromaticContact CE1-NE2 3.83Å; H278-H282 AromaticContact NE2-CD2 3.86Å; H278-H282 AromaticContact NE2-NE2 3.15Å; H278-H282 PolarHBondContact NE2-NE2 3.11Å; H278-H282 VanDerWaalsContact NE2-NE2 3.15Å; M279-H282 PolarHBondContact O-N 3.25Å; H282-G284 PolarHBondContact O-N 3.36Å |
| 283 | T | 85.8 | Confident | 88.3 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 62% | 0.62 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -75.5 | -11.5 | -178.8 | 60 | 0 | 0 | 0 | 0 | 113.1 | M279 A285 | M279-T283 PolarHBondContact O-N 3.42Å; T283-A285 PolarHBondContact O-N 3.49Å; T283-A285 VanDerWaalsContact O-N 3.07Å; T283-A285 VanDerWaalsContact OG1-CB 3.28Å; T283-A285 WeakPolarHBondContact OG1-CB 3.44Å; T283-A285 PolarHBondContact OG1-N 3.47Å |
| 284 | G | 85.8 | Confident | 88.4 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 43% | 0.433 | 39% | 0.387 | S | S | . | . | trans | 68 | 1.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P280 H282 R286 | P280-G284 PolarHBondContact O-N 3.22Å; H282-G284 PolarHBondContact O-N 3.36Å; G284-R286 PolarHBondContact O-N 3.33Å | ||
| 285 | A | 87.3 | Confident | 88.5 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 37% | 0.372 | 40% | 0.395 | S | S | . | . | trans | -57.7 | 134.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P280 T283 P287 | P280-A285 HydrophobicContact CB-CB 4.48Å; P280-A285 WeakPolarHBondContact CB-O 3.27Å; T283-A285 PolarHBondContact O-N 3.49Å; T283-A285 VanDerWaalsContact O-N 3.07Å; T283-A285 VanDerWaalsContact OG1-CB 3.28Å; T283-A285 WeakPolarHBondContact OG1-CB 3.44Å; T283-A285 PolarHBondContact OG1-N 3.47Å; A285-P287 VanDerWaalsContact C-CD 3.49Å | ||
| 286 | R | 88.2 | Confident | 88.6 | Confident | 127 Ų | 127 | 70.8 Ų | 70.8 | 48% | 0.479 | 40% | 0.395 | S | S | . | . | trans | -128.5 | 70.9 | 179.9 | -77 | 172.2 | 166.6 | -176.5 | 0.3 | 109.4 | G284 F288 G296 F297 | G284-R286 PolarHBondContact O-N 3.33Å; R286-F288 PolarHBondContact O-N 3.28Å; R286-F288 VanDerWaalsContact O-N 3.11Å; R286-G296 VanDerWaalsContact CD-O 3.29Å; R286-G296 WeakPolarHBondContact CD-O 3.34Å; R286-G296 PolarHBondContact NE-O 3.47Å; R286-F297 CarbonylContact C-O 3.53Å; R286-F297 VanDerWaalsContact C-O 3.27Å; R286-F297 WeakPolarHBondContact CA-O 3.42Å | ||
| 287 | P | 86.1 | Confident | 88.8 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | trans | -63.6 | -19.4 | -172.2 | 22.7 | -31.9 | 0 | 0 | 0 | 113.8 | A285 | A285-P287 VanDerWaalsContact C-CD 3.49Š| ||
| 288 | F | 90.4 | Very high | 88.9 | Confident | 78 Ų | 78 | 68.3 Ų | 68.3 | 34% | 0.342 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 99.4 | -177.4 | -57.1 | -77.1 | 0 | 0 | 0 | 110.7 | R286 G296 F297 Q299 A300 L303 | R286-F288 PolarHBondContact O-N 3.28Å; R286-F288 VanDerWaalsContact O-N 3.11Å; F288-G296 CarbonylContact O-C 3.5Å; F288-F297 HydrophobicContact CB-CB 4.2Å; F288-F297 PolarHBondContact N-O 3.08Å; F288-F297 WeakPolarHBondContact O-CA 3.48Å; F288-F297 WeakPolarHBondContact O-CB 3.44Å; F288-F297 WeakPolarHBondContact O-CD2 3.15Å; F288-F297 PolarHBondContact O-N 3.23Å; F288-Q299 VanDerWaalsContact CD2-CA 3.47Å; F288-A300 HydrophobicContact CD1-CB 3.83Å; F288-A300 VanDerWaalsContact CD2-N 3.3Å; F288-A300 HydrophobicContact CE1-CB 3.62Å; F288-A300 HydrophobicContact CE2-CB 4.45Å; F288-A300 HydrophobicContact CG-CB 4.34Å; F288-A300 HydrophobicContact CZ-CB 3.95Å; F288-L303 HydrophobicContact CB-CB 4.08Å; F288-L303 HydrophobicContact CB-CD2 3.85Å |
| 289 | V | 91.1 | Very high | 88.9 | Confident | 78 Ų | 78 | 70 Ų | 70 | 47% | 0.473 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135 | -177.5 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | K291 G294 | V289-K291 PolarHBondContact O-N 2.99Å; V289-G294 WeakPolarHBondContact CG1-O 3.48Å |
| 290 | C | 92.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.007 | 39% | 0.391 | C | S | . | . | trans | -74.8 | 118.1 | 170.7 | -174.8 | 0 | 0 | 0 | 0 | 109.8 | V292 G294 K295 F297 L303 H310 | C290-V292 PolarHBondContact O-N 2.96Å; C290-G294 WeakPolarHBondContact O-CA 3.42Å; C290-G294 PolarHBondContact O-N 3.14Å; C290-K295 WeakPolarHBondContact CB-O 3.26Å; C290-K295 PolarHBondContact N-O 2.84Å; C290-F297 HydrophobicContact CB-CE2 4.13Å; C290-L303 HydrophobicContact CB-CD1 3.62Å; C290-H310 PolarHBondContact SG-NE2 3.35Å; C290-H310 VanDerWaalsContact SG-NE2 3.41Å | ||
| 291 | K | 90.3 | Very high | 88.7 | Confident | 213 Ų | 213 | 71.7 Ų | 71.7 | 93% | 0.926 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.7 | 178.1 | -63.3 | -173.5 | 178.3 | -177.3 | 0 | 113.5 | V289 | V289-K291 PolarHBondContact O-N 2.99Š|
| 292 | V | 89.4 | Confident | 88.7 | Confident | 108 Ų | 108 | 70.2 Ų | 70.2 | 66% | 0.655 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -39.9 | -176.5 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | C290 H310 | C290-V292 PolarHBondContact O-N 2.96Å; V292-H310 HydrophobicContact CG1-CB 4.34Å |
| 293 | C | 90 | Very high | 88.9 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 30% | 0.297 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 8.8 | -176.3 | 66.3 | 0 | 0 | 0 | 0 | 114.5 | K295 H306 H310 | C293-K295 PolarHBondContact O-N 2.95Å; C293-K295 VanDerWaalsContact SG-CG 3.6Å; C293-H306 PolarHBondContact SG-NE2 3.14Å; C293-H310 PolarHBondContact SG-NE2 2.87Å |
| 294 | G | 88 | Confident | 88.9 | Confident | 55 Ų | 55 | 64.9 Ų | 64.9 | 57% | 0.567 | 37% | 0.373 | S | S | * | . | trans | 66.8 | 3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | V289 C290 G296 | V289-G294 WeakPolarHBondContact CG1-O 3.48Å; C290-G294 WeakPolarHBondContact O-CA 3.42Å; C290-G294 PolarHBondContact O-N 3.14Å; G294-G296 PolarHBondContact O-N 3.21Å | ||
| 295 | K | 89.9 | Confident | 88.9 | Confident | 64 Ų | 64 | 68.4 Ų | 68.4 | 28% | 0.278 | 37% | 0.373 | S | S | . | . | trans | -73.1 | 122.7 | -175.4 | -72.8 | -172.9 | 175.3 | -161.3 | 0 | 112 | I71 C290 C293 F297 | I71-K295 PolarHBondContact O-NZ 3.34Å; C290-K295 WeakPolarHBondContact CB-O 3.26Å; C290-K295 PolarHBondContact N-O 2.84Å; C293-K295 PolarHBondContact O-N 2.95Å; C293-K295 VanDerWaalsContact SG-CG 3.6Å; K295-F297 HydrophobicContact CB-CE2 3.91Å; K295-F297 HydrophobicContact CB-CZ 4.11Å; K295-F297 VanDerWaalsContact O-CD2 3.26Å; K295-F297 WeakPolarHBondContact O-CD2 3.47Å; K295-F297 WeakPolarHBondContact O-CE2 3.33Å | ||
| 296 | G | 90.8 | Very high | 89 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 142 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | R286 F288 G294 | R286-G296 VanDerWaalsContact CD-O 3.29Å; R286-G296 WeakPolarHBondContact CD-O 3.34Å; R286-G296 PolarHBondContact NE-O 3.47Å; F288-G296 CarbonylContact O-C 3.5Å; G294-G296 PolarHBondContact O-N 3.21Å |
| 297 | F | 90.1 | Very high | 88.9 | Confident | 43 Ų | 43 | 65.6 Ų | 65.6 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.4 | 179.3 | -62.6 | -88 | 0 | 0 | 0 | 111 | R286 F288 C290 K295 L303 H306 | R286-F297 CarbonylContact C-O 3.53Å; R286-F297 VanDerWaalsContact C-O 3.27Å; R286-F297 WeakPolarHBondContact CA-O 3.42Å; F288-F297 HydrophobicContact CB-CB 4.2Å; F288-F297 PolarHBondContact N-O 3.08Å; F288-F297 WeakPolarHBondContact O-CA 3.48Å; F288-F297 WeakPolarHBondContact O-CB 3.44Å; F288-F297 WeakPolarHBondContact O-CD2 3.15Å; F288-F297 PolarHBondContact O-N 3.23Å; C290-F297 HydrophobicContact CB-CE2 4.13Å; K295-F297 HydrophobicContact CB-CE2 3.91Å; K295-F297 HydrophobicContact CB-CZ 4.11Å; K295-F297 VanDerWaalsContact O-CD2 3.26Å; K295-F297 WeakPolarHBondContact O-CD2 3.47Å; K295-F297 WeakPolarHBondContact O-CE2 3.33Å; F297-L303 HydrophobicContact CB-CB 4.23Å; F297-L303 HydrophobicContact CD2-CB 3.93Å; F297-L303 HydrophobicContact CD2-CD1 3.62Å; F297-L303 HydrophobicContact CD2-CG 4.35Å; F297-L303 HydrophobicContact CE2-CD1 3.8Å; F297-L303 HydrophobicContact CG-CB 4.18Å; F297-H306 HydrophobicContact CE1-CB 3.85Å; F297-H306 AromaticContact CE1-CG 3.99Å; F297-H306 HydrophobicContact CE2-CB 3.95Å; F297-H306 AromaticContact CE2-CD2 3.34Å; F297-H306 WeakPolarHBondContact CE2-CD2 3.39Å; F297-H306 AromaticContact CE2-CG 3.63Å; F297-H306 AromaticContact CE2-NE2 3.93Å; F297-H306 HydrophobicContact CZ-CB 3.44Å; F297-H306 VanDerWaalsContact CZ-CB 3.44Å; F297-H306 AromaticContact CZ-CD2 3.33Å; F297-H306 WeakPolarHBondContact CZ-CD2 3.47Å; F297-H306 AromaticContact CZ-CE1 3.97Å; F297-H306 AromaticContact CZ-CG 3.14Å; F297-H306 AromaticContact CZ-ND1 3.58Å; F297-H306 AromaticContact CZ-NE2 3.82Å |
| 298 | R | 89.3 | Confident | 88.9 | Confident | 95 Ų | 95 | 63 Ų | 63 | 36% | 0.358 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -80.2 | -20 | 178.4 | -68.1 | 177.6 | 176.3 | 155.7 | -1.6 | 113.3 | P280 V281 | P280-R298 HydrophobicContact CB-CB 4.17Å; P280-R298 HydrophobicContact CB-CG 3.93Å; P280-R298 PolarHBondContact O-NE 2.96Å; V281-R298 VanDerWaalsContact CA-CZ 3.46Å; V281-R298 PolarHBondContact O-NH2 3.06Å |
| 299 | Q | 88.6 | Confident | 88.7 | Confident | 55 Ų | 55 | 62.6 Ų | 62.6 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -137.9 | 141.5 | -175.9 | -60.7 | 176.2 | 9.9 | 0 | 0 | 111.3 | R277 F288 S301 T302 L303 | R277-Q299 VanDerWaalsContact CD-NE2 3.3Å; R277-Q299 HydrophobicContact CG-CG 3.96Å; R277-Q299 VanDerWaalsContact CG-NE2 3.29Å; F288-Q299 VanDerWaalsContact CD2-CA 3.47Å; Q299-S301 VanDerWaalsContact C-N 3.31Å; Q299-S301 PolarHBondContact O-N 3.37Å; Q299-T302 HydrophobicContact CB-CG2 4.1Å; Q299-T302 PolarHBondContact N-OG1 3.13Å; Q299-T302 PolarHBondContact O-N 2.66Å; Q299-T302 VanDerWaalsContact O-N 3.13Å; Q299-T302 PolarHBondContact O-OG1 3.15Å; Q299-L303 PolarHBondContact O-N 3.08Å; Q299-L303 VanDerWaalsContact O-N 3.15Å |
| 300 | A | 86.6 | Confident | 88.5 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 44% | 0.438 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -57.6 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F288 T302 L303 C304 | F288-A300 HydrophobicContact CD1-CB 3.83Å; F288-A300 VanDerWaalsContact CD2-N 3.3Å; F288-A300 HydrophobicContact CE1-CB 3.62Å; F288-A300 HydrophobicContact CE2-CB 4.45Å; F288-A300 HydrophobicContact CG-CB 4.34Å; F288-A300 HydrophobicContact CZ-CB 3.95Å; A300-T302 VanDerWaalsContact C-N 3.27Å; A300-T302 PolarHBondContact O-N 3.49Å; A300-L303 CarbonylContact O-C 3.58Å; A300-L303 WeakPolarHBondContact O-CB 3.29Å; A300-L303 PolarHBondContact O-N 2.84Å; A300-L303 VanDerWaalsContact O-N 3.08Å; A300-C304 PolarHBondContact O-N 3.15Å |
| 301 | S | 87.4 | Confident | 87.9 | Confident | 75 Ų | 75 | 64.7 Ų | 64.7 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.4 | -38.1 | 177.5 | 59.4 | 0 | 0 | 0 | 0 | 112.4 | Q299 R305 | Q299-S301 VanDerWaalsContact C-N 3.31Å; Q299-S301 PolarHBondContact O-N 3.37Å; S301-R305 WeakPolarHBondContact O-CB 3.35Å; S301-R305 PolarHBondContact O-N 3.01Å |
| 302 | T | 88.5 | Confident | 87.4 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 17% | 0.172 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.1 | -33.2 | 176.9 | 60 | 0 | 0 | 0 | 0 | 112.4 | Q299 A300 H306 | Q299-T302 HydrophobicContact CB-CG2 4.1Å; Q299-T302 PolarHBondContact N-OG1 3.13Å; Q299-T302 PolarHBondContact O-N 2.66Å; Q299-T302 VanDerWaalsContact O-N 3.13Å; Q299-T302 PolarHBondContact O-OG1 3.15Å; A300-T302 VanDerWaalsContact C-N 3.27Å; A300-T302 PolarHBondContact O-N 3.49Å; T302-H306 WeakPolarHBondContact O-CB 3.28Å; T302-H306 PolarHBondContact O-N 2.95Å |
| 303 | L | 90.8 | Very high | 86.9 | Confident | 20 Ų | 20 | 60.4 Ų | 60.4 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.1 | -48.4 | 171.9 | 173.4 | 62.4 | 0 | 0 | 0 | 111.6 | F288 C290 F297 Q299 A300 R305 H306 K307 | F288-L303 HydrophobicContact CB-CB 4.08Å; F288-L303 HydrophobicContact CB-CD2 3.85Å; C290-L303 HydrophobicContact CB-CD1 3.62Å; F297-L303 HydrophobicContact CB-CB 4.23Å; F297-L303 HydrophobicContact CD2-CB 3.93Å; F297-L303 HydrophobicContact CD2-CD1 3.62Å; F297-L303 HydrophobicContact CD2-CG 4.35Å; F297-L303 HydrophobicContact CE2-CD1 3.8Å; F297-L303 HydrophobicContact CG-CB 4.18Å; Q299-L303 PolarHBondContact O-N 3.08Å; Q299-L303 VanDerWaalsContact O-N 3.15Å; A300-L303 CarbonylContact O-C 3.58Å; A300-L303 WeakPolarHBondContact O-CB 3.29Å; A300-L303 PolarHBondContact O-N 2.84Å; A300-L303 VanDerWaalsContact O-N 3.08Å; L303-R305 VanDerWaalsContact C-N 3.29Å; L303-R305 PolarHBondContact O-N 2.98Å; L303-H306 WeakPolarHBondContact O-CA 3.5Å; L303-H306 WeakPolarHBondContact O-CB 3.46Å; L303-H306 PolarHBondContact O-N 3.38Å; L303-K307 HydrophobicContact CD1-CG 4.48Å; L303-K307 WeakPolarHBondContact O-CG 3.48Å; L303-K307 PolarHBondContact O-N 2.98Å |
| 304 | C | 86.8 | Confident | 86.5 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 25% | 0.25 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | C123 A300 H306 K307 | C123-C304 WeakPolarHBondContact CB-SG 3.28Å; C123-C304 WeakPolarHBondContact SG-CB 3.21Å; C123-C304 CovalentContact SG-SG 2.08Å; C123-C304 PolarHBondContact SG-SG 3.32Å; A300-C304 PolarHBondContact O-N 3.15Å; C304-H306 VanDerWaalsContact C-N 3.3Å; C304-H306 PolarHBondContact O-N 3.46Å; C304-K307 WeakPolarHBondContact O-CB 3.46Å; C304-K307 PolarHBondContact O-N 2.94Å |
| 305 | R | 85.6 | Confident | 86.2 | Confident | 116 Ų | 116 | 64.7 Ų | 64.7 | 44% | 0.438 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 173.4 | -177.2 | 176.7 | 63.5 | -161.1 | -2.5 | 113.2 | S301 L303 K307 I308 | S301-R305 WeakPolarHBondContact O-CB 3.35Å; S301-R305 PolarHBondContact O-N 3.01Å; L303-R305 VanDerWaalsContact C-N 3.29Å; L303-R305 PolarHBondContact O-N 2.98Å; R305-K307 VanDerWaalsContact C-N 3.34Å; R305-I308 WeakPolarHBondContact O-CB 3.3Å |
| 306 | H | 88.9 | Confident | 86.1 | Confident | 22 Ų | 22 | 64 Ų | 64 | 10% | 0.102 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.1 | -35.8 | 178.1 | 168.1 | 70.5 | 0 | 0 | 0 | 112.3 | C293 F297 T302 L303 C304 I308 I309 H310 | C293-H306 PolarHBondContact SG-NE2 3.14Å; F297-H306 HydrophobicContact CE1-CB 3.85Å; F297-H306 AromaticContact CE1-CG 3.99Å; F297-H306 HydrophobicContact CE2-CB 3.95Å; F297-H306 AromaticContact CE2-CD2 3.34Å; F297-H306 WeakPolarHBondContact CE2-CD2 3.39Å; F297-H306 AromaticContact CE2-CG 3.63Å; F297-H306 AromaticContact CE2-NE2 3.93Å; F297-H306 HydrophobicContact CZ-CB 3.44Å; F297-H306 VanDerWaalsContact CZ-CB 3.44Å; F297-H306 AromaticContact CZ-CD2 3.33Å; F297-H306 WeakPolarHBondContact CZ-CD2 3.47Å; F297-H306 AromaticContact CZ-CE1 3.97Å; F297-H306 AromaticContact CZ-CG 3.14Å; F297-H306 AromaticContact CZ-ND1 3.58Å; F297-H306 AromaticContact CZ-NE2 3.82Å; T302-H306 WeakPolarHBondContact O-CB 3.28Å; T302-H306 PolarHBondContact O-N 2.95Å; L303-H306 WeakPolarHBondContact O-CA 3.5Å; L303-H306 WeakPolarHBondContact O-CB 3.46Å; L303-H306 PolarHBondContact O-N 3.38Å; C304-H306 VanDerWaalsContact C-N 3.3Å; C304-H306 PolarHBondContact O-N 3.46Å; H306-I308 PolarHBondContact O-N 3.44Å; H306-I308 VanDerWaalsContact O-N 3.14Å; H306-I309 VanDerWaalsContact O-CB 3.3Å; H306-I309 WeakPolarHBondContact O-CB 3.43Å; H306-I309 WeakPolarHBondContact O-CG1 3.49Å; H306-I309 PolarHBondContact O-N 3.43Å; H306-H310 AromaticContact CE1-NE2 3.72Å; H306-H310 AromaticContact NE2-CD2 3.97Å; H306-H310 AromaticContact NE2-NE2 3.21Å; H306-H310 PolarHBondContact NE2-NE2 3.18Å |
| 307 | K | 86.7 | Confident | 85.9 | Confident | 91 Ų | 91 | 70.1 Ų | 70.1 | 40% | 0.396 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.2 | -30.7 | 178.4 | -70.2 | -178.8 | 177.9 | -174.7 | 0 | 113 | L303 C304 R305 I309 H310 T311 | L303-K307 HydrophobicContact CD1-CG 4.48Å; L303-K307 WeakPolarHBondContact O-CG 3.48Å; L303-K307 PolarHBondContact O-N 2.98Å; C304-K307 WeakPolarHBondContact O-CB 3.46Å; C304-K307 PolarHBondContact O-N 2.94Å; R305-K307 VanDerWaalsContact C-N 3.34Å; K307-I309 PolarHBondContact O-N 3.46Å; K307-I309 VanDerWaalsContact O-N 3.14Å; K307-H310 WeakPolarHBondContact O-CB 3.2Å; K307-H310 PolarHBondContact O-N 3.27Å; K307-T311 PolarHBondContact O-N 3.39Å |
| 308 | I | 86.1 | Confident | 86 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.8 | -28.2 | 176 | -55.7 | 173.1 | 0 | 0 | 0 | 112 | R305 H306 H310 T311 Q312 E313 N326 | R305-I308 WeakPolarHBondContact O-CB 3.3Å; H306-I308 PolarHBondContact O-N 3.44Å; H306-I308 VanDerWaalsContact O-N 3.14Å; I308-H310 VanDerWaalsContact C-N 3.27Å; I308-H310 PolarHBondContact O-N 3.48Å; I308-T311 PolarHBondContact O-N 3.46Å; I308-T311 PolarHBondContact O-OG1 3.18Å; I308-Q312 PolarHBondContact O-N 3.2Å; I308-Q312 VanDerWaalsContact O-N 3.14Å; I308-E313 WeakPolarHBondContact CG2-O 3.43Å; I308-N326 HydrophobicContact CG2-CB 4.05Å |
| 309 | I | 85.4 | Confident | 85.9 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68 | -31.4 | 177.3 | -58.5 | 173.7 | 0 | 0 | 0 | 111 | H306 K307 Q312 | H306-I309 VanDerWaalsContact O-CB 3.3Å; H306-I309 WeakPolarHBondContact O-CB 3.43Å; H306-I309 WeakPolarHBondContact O-CG1 3.49Å; H306-I309 PolarHBondContact O-N 3.43Å; K307-I309 PolarHBondContact O-N 3.46Å; K307-I309 VanDerWaalsContact O-N 3.14Å; I309-Q312 PolarHBondContact O-NE2 2.94Å |
| 310 | H | 85.7 | Confident | 85.9 | Confident | 54 Ų | 54 | 75.4 Ų | 75.4 | 25% | 0.25 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -77.8 | -34.5 | 178.5 | -65.6 | -58 | 0 | 0 | 0 | 112.3 | C290 V292 C293 H306 K307 I308 Q312 | C290-H310 PolarHBondContact SG-NE2 3.35Å; C290-H310 VanDerWaalsContact SG-NE2 3.41Å; V292-H310 HydrophobicContact CG1-CB 4.34Å; C293-H310 PolarHBondContact SG-NE2 2.87Å; H306-H310 AromaticContact CE1-NE2 3.72Å; H306-H310 AromaticContact NE2-CD2 3.97Å; H306-H310 AromaticContact NE2-NE2 3.21Å; H306-H310 PolarHBondContact NE2-NE2 3.18Å; K307-H310 WeakPolarHBondContact O-CB 3.2Å; K307-H310 PolarHBondContact O-N 3.27Å; I308-H310 VanDerWaalsContact C-N 3.27Å; I308-H310 PolarHBondContact O-N 3.48Å; H310-Q312 VanDerWaalsContact C-N 3.28Å; H310-Q312 PolarHBondContact O-N 2.76Å |
| 311 | T | 81.8 | Confident | 86 | Confident | 68 Ų | 68 | 75.3 Ų | 75.3 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -79.2 | -13.1 | 177.9 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | K307 I308 E313 | K307-T311 PolarHBondContact O-N 3.39Å; I308-T311 PolarHBondContact O-N 3.46Å; I308-T311 PolarHBondContact O-OG1 3.18Å; T311-E313 PolarHBondContact O-N 3.35Å |
| 312 | Q | 78.1 | Confident | 85.9 | Confident | 117 Ų | 117 | 74.4 Ų | 74.4 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | trans | 54.4 | 12.8 | -172.7 | -62.4 | -65.1 | -22 | 0 | 0 | 114 | I308 I309 H310 K314 | I308-Q312 PolarHBondContact O-N 3.2Å; I308-Q312 VanDerWaalsContact O-N 3.14Å; I309-Q312 PolarHBondContact O-NE2 2.94Å; H310-Q312 VanDerWaalsContact C-N 3.28Å; H310-Q312 PolarHBondContact O-N 2.76Å; Q312-K314 PolarHBondContact O-N 3.22Å | ||
| 313 | E | 78.9 | Confident | 85.9 | Confident | 115 Ų | 115 | 79.1 Ų | 79.1 | 54% | 0.537 | 40% | 0.401 | S | S | . | . | trans | -66.8 | 136.1 | 176.6 | -70.3 | 178.1 | 167.4 | 0 | 0 | 109.1 | I308 T311 P315 | I308-E313 WeakPolarHBondContact CG2-O 3.43Å; T311-E313 PolarHBondContact O-N 3.35Å; E313-P315 WeakPolarHBondContact O-CD 3.49Å | ||
| 314 | K | 82.6 | Confident | 85.8 | Confident | 110 Ų | 110 | 79.5 Ų | 79.5 | 48% | 0.478 | 41% | 0.407 | S | S | . | . | trans | -122.9 | 80.5 | 177.6 | -69.9 | 169 | 177 | 179.4 | 0 | 108.1 | Q312 H316 A324 F325 | Q312-K314 PolarHBondContact O-N 3.22Å; K314-H316 PolarHBondContact O-N 2.9Å; K314-H316 VanDerWaalsContact O-N 3.15Å; K314-A324 HydrophobicContact CB-CB 3.38Å; K314-A324 HydrophobicContact CD-CB 3.98Å; K314-A324 WeakPolarHBondContact CD-O 3.45Å; K314-A324 HydrophobicContact CG-CB 4.3Å; K314-F325 CarbonylContact C-O 3.58Å; K314-F325 WeakPolarHBondContact CA-O 3.3Å | ||
| 315 | P | 82.3 | Confident | 85.8 | Confident | 79 Ų | 79 | 79.5 Ų | 79.5 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | trans | -63.9 | -23.8 | -171.7 | -21.6 | 33.5 | 0 | 0 | 0 | 113 | E313 | E313-P315 WeakPolarHBondContact O-CD 3.49Š| ||
| 316 | H | 86.6 | Confident | 85.9 | Confident | 48 Ų | 48 | 77 Ų | 77 | 22% | 0.222 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 95.8 | -171.2 | -56 | -73.5 | 0 | 0 | 0 | 110.9 | K314 A324 F325 S328 L331 | K314-H316 PolarHBondContact O-N 2.9Å; K314-H316 VanDerWaalsContact O-N 3.15Å; H316-A324 CarbonylContact O-C 3.53Å; H316-A324 WeakPolarHBondContact O-CA 3.34Å; H316-F325 HydrophobicContact CB-CB 4.41Å; H316-F325 WeakPolarHBondContact CB-O 3.49Å; H316-F325 PolarHBondContact N-O 3.45Å; H316-F325 PolarHBondContact O-N 3.43Å; H316-S328 PolarHBondContact CD2-N 2.75Å; H316-S328 PolarHBondContact NE2-N 3.24Å; H316-L331 HydrophobicContact CB-CB 4.13Å; H316-L331 HydrophobicContact CB-CD2 3.85Å |
| 317 | K | 88 | Confident | 85.7 | Confident | 144 Ų | 144 | 80.8 Ų | 80.8 | 63% | 0.626 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 141.1 | 178.2 | -61.9 | -176.6 | -178.7 | 178.2 | 0 | 111.4 | A324 L331 | K317-A324 HydrophobicContact CG-CB 3.86Å; K317-L331 WeakPolarHBondContact O-CD2 3.46Å |
| 318 | C | 91 | Very high | 85.8 | Confident | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.02 | 42% | 0.417 | C | S | . | . | trans | -83.3 | 121.1 | 170.6 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | Q320 G322 K323 F325 L331 | C318-Q320 PolarHBondContact O-N 3.03Å; C318-G322 WeakPolarHBondContact O-CA 3.32Å; C318-G322 PolarHBondContact O-N 3.44Å; C318-K323 WeakPolarHBondContact CB-O 3.49Å; C318-K323 PolarHBondContact N-O 3.02Å; C318-F325 HydrophobicContact CB-CE2 4.31Å; C318-L331 HydrophobicContact CB-CD1 3.61Å | ||
| 319 | N | 87.8 | Confident | 85.8 | Confident | 163 Ų | 163 | 80.9 Ų | 80.9 | 87% | 0.872 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.7 | -179.3 | -62.1 | -10.6 | 0 | 0 | 0 | 112.9 | ||
| 320 | Q | 87.8 | Confident | 85.9 | Confident | 137 Ų | 137 | 79.7 Ų | 79.7 | 64% | 0.64 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -32.7 | -175.3 | -60.7 | -171.9 | 21.7 | 0 | 0 | 113.8 | C318 | C318-Q320 PolarHBondContact O-N 3.03Š|
| 321 | C | 89.3 | Confident | 86.2 | Confident | 51 Ų | 51 | 78.6 Ų | 78.6 | 35% | 0.345 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.9 | 6.1 | -178 | 68.3 | 0 | 0 | 0 | 0 | 114.4 | K323 H334 H338 | C321-K323 PolarHBondContact O-N 2.08Å; C321-K323 VanDerWaalsContact SG-CG 3.57Å; C321-H334 PolarHBondContact SG-NE2 3.22Å; C321-H338 PolarHBondContact SG-NE2 3.26Å; C321-H338 VanDerWaalsContact SG-NE2 3.36Å |
| 322 | G | 85.9 | Confident | 86.5 | Confident | 56 Ų | 56 | 79.7 Ų | 79.7 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | trans | 69.1 | -4.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | C318 A324 | C318-G322 WeakPolarHBondContact O-CA 3.32Å; C318-G322 PolarHBondContact O-N 3.44Å; G322-A324 PolarHBondContact O-N 3.07Å | ||
| 323 | K | 88.3 | Confident | 86.9 | Confident | 127 Ų | 127 | 75.5 Ų | 75.5 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | trans | -65.5 | 128.5 | -177.7 | -71.2 | -179.9 | -177.2 | 176.8 | 0 | 111.1 | C318 C321 F325 | C318-K323 WeakPolarHBondContact CB-O 3.49Å; C318-K323 PolarHBondContact N-O 3.02Å; C321-K323 PolarHBondContact O-N 2.08Å; C321-K323 VanDerWaalsContact SG-CG 3.57Å; K323-F325 HydrophobicContact CB-CE2 3.98Å; K323-F325 HydrophobicContact CB-CZ 4.07Å; K323-F325 WeakPolarHBondContact O-CE2 3.45Å | ||
| 324 | A | 88.6 | Confident | 87.5 | Confident | 29 Ų | 29 | 71 Ų | 71 | 24% | 0.24 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 142.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K314 H316 K317 G322 | K314-A324 HydrophobicContact CB-CB 3.38Å; K314-A324 HydrophobicContact CD-CB 3.98Å; K314-A324 WeakPolarHBondContact CD-O 3.45Å; K314-A324 HydrophobicContact CG-CB 4.3Å; H316-A324 CarbonylContact O-C 3.53Å; H316-A324 WeakPolarHBondContact O-CA 3.34Å; K317-A324 HydrophobicContact CG-CB 3.86Å; G322-A324 PolarHBondContact O-N 3.07Å |
| 325 | F | 87.2 | Confident | 87.8 | Confident | 36 Ų | 36 | 68 Ų | 68 | 16% | 0.158 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 149.8 | -178.7 | -58.5 | -86.1 | 0 | 0 | 0 | 110.8 | K314 H316 C318 K323 R327 T330 L331 H334 | K314-F325 CarbonylContact C-O 3.58Å; K314-F325 WeakPolarHBondContact CA-O 3.3Å; H316-F325 HydrophobicContact CB-CB 4.41Å; H316-F325 WeakPolarHBondContact CB-O 3.49Å; H316-F325 PolarHBondContact N-O 3.45Å; H316-F325 PolarHBondContact O-N 3.43Å; C318-F325 HydrophobicContact CB-CE2 4.31Å; K323-F325 HydrophobicContact CB-CE2 3.98Å; K323-F325 HydrophobicContact CB-CZ 4.07Å; K323-F325 WeakPolarHBondContact O-CE2 3.45Å; F325-R327 VanDerWaalsContact C-N 3.25Å; F325-R327 PolarHBondContact O-N 3.17Å; F325-T330 HydrophobicContact CD1-CG2 3.61Å; F325-T330 HydrophobicContact CE1-CG2 4.18Å; F325-T330 HydrophobicContact CG-CG2 4.35Å; F325-L331 HydrophobicContact CB-CB 4.36Å; F325-L331 HydrophobicContact CD2-CB 3.9Å; F325-L331 HydrophobicContact CD2-CD1 3.71Å; F325-L331 HydrophobicContact CD2-CG 4.4Å; F325-L331 HydrophobicContact CE2-CD1 3.86Å; F325-L331 HydrophobicContact CG-CB 4.34Å; F325-H334 HydrophobicContact CE1-CB 4.15Å; F325-H334 HydrophobicContact CE2-CB 3.96Å; F325-H334 AromaticContact CE2-CD2 3.32Å; F325-H334 WeakPolarHBondContact CE2-CD2 3.2Å; F325-H334 AromaticContact CE2-CG 3.63Å; F325-H334 AromaticContact CE2-NE2 3.93Å; F325-H334 HydrophobicContact CZ-CB 3.58Å; F325-H334 AromaticContact CZ-CD2 3.38Å; F325-H334 WeakPolarHBondContact CZ-CD2 3.26Å; F325-H334 AromaticContact CZ-CG 3.24Å; F325-H334 AromaticContact CZ-ND1 3.67Å; F325-H334 AromaticContact CZ-NE2 3.83Å |
| 326 | N | 86.4 | Confident | 88.1 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 35% | 0.348 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -79.1 | -6.7 | 176 | 61.7 | 11 | 0 | 0 | 0 | 113.6 | I308 | I308-N326 HydrophobicContact CG2-CB 4.05Š|
| 327 | R | 86.3 | Confident | 88.2 | Confident | 101 Ų | 101 | 69 Ų | 69 | 38% | 0.381 | 37% | 0.372 | S | S | . | . | trans | -144.1 | 135.5 | -176.6 | -69 | 175.2 | 62.2 | 175.9 | -2.2 | 111.4 | F325 S329 T330 L331 | F325-R327 VanDerWaalsContact C-N 3.25Å; F325-R327 PolarHBondContact O-N 3.17Å; R327-S329 VanDerWaalsContact C-N 3.31Å; R327-S329 PolarHBondContact NE-OG 3.01Å; R327-S329 PolarHBondContact NH2-OG 2.85Å; R327-S329 VanDerWaalsContact NH2-OG 3.12Å; R327-S329 PolarHBondContact O-N 3.15Å; R327-T330 WeakPolarHBondContact O-CB 3.43Å; R327-T330 PolarHBondContact O-N 3.35Å; R327-T330 VanDerWaalsContact O-N 3.12Å; R327-L331 PolarHBondContact O-N 2.74Å; R327-L331 VanDerWaalsContact O-N 3.08Å | ||
| 328 | S | 86.9 | Confident | 88.2 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.6 | -41.7 | 172.6 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | H316 T330 L331 N332 | H316-S328 PolarHBondContact CD2-N 2.75Å; H316-S328 PolarHBondContact NE2-N 3.24Å; S328-T330 PolarHBondContact O-N 3.31Å; S328-L331 WeakPolarHBondContact O-CB 3.21Å; S328-L331 PolarHBondContact O-N 3.4Å; S328-N332 PolarHBondContact O-N 3.16Å |
| 329 | S | 87.2 | Confident | 87.9 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 36% | 0.357 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.5 | -37.5 | 177.1 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | R327 T333 | R327-S329 VanDerWaalsContact C-N 3.31Å; R327-S329 PolarHBondContact NE-OG 3.01Å; R327-S329 PolarHBondContact NH2-OG 2.85Å; R327-S329 VanDerWaalsContact NH2-OG 3.12Å; R327-S329 PolarHBondContact O-N 3.15Å; S329-T333 WeakPolarHBondContact O-CG2 3.44Å; S329-T333 PolarHBondContact O-N 3.3Å; S329-T333 PolarHBondContact O-OG1 3.12Å |
| 330 | T | 88.3 | Confident | 87.8 | Confident | 47 Ų | 47 | 63.6 Ų | 63.6 | 29% | 0.288 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.5 | -42.5 | 179.2 | -51.9 | 0 | 0 | 0 | 0 | 110.4 | F325 R327 S328 N332 T333 H334 | F325-T330 HydrophobicContact CD1-CG2 3.61Å; F325-T330 HydrophobicContact CE1-CG2 4.18Å; F325-T330 HydrophobicContact CG-CG2 4.35Å; R327-T330 WeakPolarHBondContact O-CB 3.43Å; R327-T330 PolarHBondContact O-N 3.35Å; R327-T330 VanDerWaalsContact O-N 3.12Å; S328-T330 PolarHBondContact O-N 3.31Å; T330-N332 VanDerWaalsContact C-N 3.32Å; T330-N332 PolarHBondContact O-N 3.05Å; T330-T333 WeakPolarHBondContact CA-OG1 3.38Å; T330-T333 PolarHBondContact O-N 3.08Å; T330-T333 PolarHBondContact O-OG1 3.27Å; T330-H334 WeakPolarHBondContact O-CB 3.44Å; T330-H334 PolarHBondContact O-N 3.12Å |
| 331 | L | 90.5 | Very high | 87.8 | Confident | 31 Ų | 31 | 63.8 Ų | 63.8 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.4 | -46.8 | 171.5 | 173.8 | 62.3 | 0 | 0 | 0 | 110.9 | H316 K317 C318 F325 R327 S328 T333 H334 T335 | H316-L331 HydrophobicContact CB-CB 4.13Å; H316-L331 HydrophobicContact CB-CD2 3.85Å; K317-L331 WeakPolarHBondContact O-CD2 3.46Å; C318-L331 HydrophobicContact CB-CD1 3.61Å; F325-L331 HydrophobicContact CB-CB 4.36Å; F325-L331 HydrophobicContact CD2-CB 3.9Å; F325-L331 HydrophobicContact CD2-CD1 3.71Å; F325-L331 HydrophobicContact CD2-CG 4.4Å; F325-L331 HydrophobicContact CE2-CD1 3.86Å; F325-L331 HydrophobicContact CG-CB 4.34Å; R327-L331 PolarHBondContact O-N 2.74Å; R327-L331 VanDerWaalsContact O-N 3.08Å; S328-L331 WeakPolarHBondContact O-CB 3.21Å; S328-L331 PolarHBondContact O-N 3.4Å; L331-T333 VanDerWaalsContact C-N 3.34Å; L331-T333 PolarHBondContact O-N 3.36Å; L331-H334 CarbonylContact O-C 3.56Å; L331-H334 WeakPolarHBondContact O-CA 3.38Å; L331-H334 WeakPolarHBondContact O-CB 3.32Å; L331-H334 PolarHBondContact O-N 2.75Å; L331-T335 HydrophobicContact CD1-CG2 4.09Å; L331-T335 HydrophobicContact CG-CG2 4.38Å; L331-T335 WeakPolarHBondContact O-CG2 3.38Å; L331-T335 PolarHBondContact O-N 2.92Å; L331-T335 PolarHBondContact O-OG1 3.36Å |
| 332 | N | 87.9 | Confident | 87.8 | Confident | 91 Ų | 91 | 66.3 Ų | 66.3 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 178.3 | -173 | 35.1 | 0 | 0 | 0 | 112.9 | S328 T330 H334 T335 R336 | S328-N332 PolarHBondContact O-N 3.16Å; T330-N332 VanDerWaalsContact C-N 3.32Å; T330-N332 PolarHBondContact O-N 3.05Å; N332-H334 VanDerWaalsContact C-N 3.27Å; N332-H334 PolarHBondContact O-N 3.41Å; N332-T335 WeakPolarHBondContact CA-OG1 3.42Å; N332-T335 PolarHBondContact O-OG1 3Å; N332-R336 WeakPolarHBondContact O-CG 3.5Å |
| 333 | T | 88.1 | Confident | 87.9 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 17% | 0.172 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.8 | -28.8 | 172 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | S329 T330 L331 Q355 | S329-T333 WeakPolarHBondContact O-CG2 3.44Å; S329-T333 PolarHBondContact O-N 3.3Å; S329-T333 PolarHBondContact O-OG1 3.12Å; T330-T333 WeakPolarHBondContact CA-OG1 3.38Å; T330-T333 PolarHBondContact O-N 3.08Å; T330-T333 PolarHBondContact O-OG1 3.27Å; L331-T333 VanDerWaalsContact C-N 3.34Å; L331-T333 PolarHBondContact O-N 3.36Å; T333-Q355 HydrophobicContact CG2-CG 4.39Å |
| 334 | H | 90.4 | Very high | 88 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 10% | 0.102 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -76 | -40 | 178.2 | 170.4 | 70.9 | 0 | 0 | 0 | 112.1 | C321 F325 T330 L331 N332 R336 I337 H338 | C321-H334 PolarHBondContact SG-NE2 3.22Å; F325-H334 HydrophobicContact CE1-CB 4.15Å; F325-H334 HydrophobicContact CE2-CB 3.96Å; F325-H334 AromaticContact CE2-CD2 3.32Å; F325-H334 WeakPolarHBondContact CE2-CD2 3.2Å; F325-H334 AromaticContact CE2-CG 3.63Å; F325-H334 AromaticContact CE2-NE2 3.93Å; F325-H334 HydrophobicContact CZ-CB 3.58Å; F325-H334 AromaticContact CZ-CD2 3.38Å; F325-H334 WeakPolarHBondContact CZ-CD2 3.26Å; F325-H334 AromaticContact CZ-CG 3.24Å; F325-H334 AromaticContact CZ-ND1 3.67Å; F325-H334 AromaticContact CZ-NE2 3.83Å; T330-H334 WeakPolarHBondContact O-CB 3.44Å; T330-H334 PolarHBondContact O-N 3.12Å; L331-H334 CarbonylContact O-C 3.56Å; L331-H334 WeakPolarHBondContact O-CA 3.38Å; L331-H334 WeakPolarHBondContact O-CB 3.32Å; L331-H334 PolarHBondContact O-N 2.75Å; N332-H334 VanDerWaalsContact C-N 3.27Å; N332-H334 PolarHBondContact O-N 3.41Å; H334-R336 PolarHBondContact O-N 3.33Å; H334-I337 WeakPolarHBondContact O-CB 3.34Å; H334-I337 WeakPolarHBondContact O-CG1 3.45Å; H334-I337 PolarHBondContact O-N 3.19Å; H334-H338 AromaticContact CE1-NE2 3.77Å; H334-H338 AromaticContact NE2-CD2 3.98Å; H334-H338 AromaticContact NE2-NE2 3.3Å; H334-H338 PolarHBondContact NE2-NE2 3.44Å |
| 335 | T | 88.2 | Confident | 88 | Confident | 45 Ų | 45 | 64.8 Ų | 64.8 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -29.1 | 176.9 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | L331 N332 I337 H338 A339 | L331-T335 HydrophobicContact CD1-CG2 4.09Å; L331-T335 HydrophobicContact CG-CG2 4.38Å; L331-T335 WeakPolarHBondContact O-CG2 3.38Å; L331-T335 PolarHBondContact O-N 2.92Å; L331-T335 PolarHBondContact O-OG1 3.36Å; N332-T335 WeakPolarHBondContact CA-OG1 3.42Å; N332-T335 PolarHBondContact O-OG1 3Å; T335-I337 PolarHBondContact O-N 3.26Å; T335-H338 WeakPolarHBondContact O-CB 3.33Å; T335-H338 PolarHBondContact O-N 3.32Å; T335-H338 VanDerWaalsContact O-N 3.1Å; T335-A339 PolarHBondContact O-N 3.34Å; T335-A339 VanDerWaalsContact O-N 3.13Å |
| 336 | R | 90 | Very high | 88.2 | Confident | 55 Ų | 55 | 63.1 Ų | 63.1 | 21% | 0.208 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59 | -29.5 | 172 | -62.8 | 176 | -154.9 | 173.5 | -2.2 | 113.4 | N332 H334 H338 A339 G340 Y341 H354 | N332-R336 WeakPolarHBondContact O-CG 3.5Å; H334-R336 PolarHBondContact O-N 3.33Å; R336-H338 VanDerWaalsContact C-N 3.31Å; R336-A339 PolarHBondContact O-N 3.41Å; R336-G340 PolarHBondContact O-N 2.91Å; R336-Y341 HydrophobicContact CG-CD1 4.25Å; R336-Y341 PolarHBondContact O-N 3.28Å; R336-H354 PolarHBondContact NH1-O 3.01Å |
| 337 | I | 88.3 | Confident | 88.3 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 48% | 0.482 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 177.7 | -58.7 | 173.4 | 0 | 0 | 0 | 109.4 | H334 T335 G340 | H334-I337 WeakPolarHBondContact O-CB 3.34Å; H334-I337 WeakPolarHBondContact O-CG1 3.45Å; H334-I337 PolarHBondContact O-N 3.19Å; T335-I337 PolarHBondContact O-N 3.26Å; I337-G340 PolarHBondContact O-N 3.17Å |
| 338 | H | 87.8 | Confident | 88.2 | Confident | 72 Ų | 72 | 69.7 Ų | 69.7 | 33% | 0.333 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 177.3 | -65.3 | -62.6 | 0 | 0 | 0 | 112.7 | C321 H334 T335 R336 G340 | C321-H338 PolarHBondContact SG-NE2 3.26Å; C321-H338 VanDerWaalsContact SG-NE2 3.36Å; H334-H338 AromaticContact CE1-NE2 3.77Å; H334-H338 AromaticContact NE2-CD2 3.98Å; H334-H338 AromaticContact NE2-NE2 3.3Å; H334-H338 PolarHBondContact NE2-NE2 3.44Å; T335-H338 WeakPolarHBondContact O-CB 3.33Å; T335-H338 PolarHBondContact O-N 3.32Å; T335-H338 VanDerWaalsContact O-N 3.1Å; R336-H338 VanDerWaalsContact C-N 3.31Å; H338-G340 PolarHBondContact O-N 3.19Å |
| 339 | A | 85.8 | Confident | 88.3 | Confident | 79 Ų | 79 | 68.6 Ų | 68.6 | 65% | 0.653 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T335 R336 Y341 | T335-A339 PolarHBondContact O-N 3.34Å; T335-A339 VanDerWaalsContact O-N 3.13Å; R336-A339 PolarHBondContact O-N 3.41Å; A339-Y341 PolarHBondContact O-N 3.48Å |
| 340 | G | 85.6 | Confident | 88.3 | Confident | 45 Ų | 45 | 68.9 Ų | 68.9 | 46% | 0.464 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 11.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R336 I337 H338 K342 | R336-G340 PolarHBondContact O-N 2.91Å; I337-G340 PolarHBondContact O-N 3.17Å; H338-G340 PolarHBondContact O-N 3.19Å; G340-K342 PolarHBondContact O-N 2.79Å |
| 341 | Y | 87.8 | Confident | 88.3 | Confident | 142 Ų | 142 | 72.8 Ų | 72.8 | 56% | 0.557 | 39% | 0.392 | S | S | * | . | trans | -77.9 | 112.8 | -171.3 | -178.7 | -117.5 | 0 | 0 | 0 | 111.3 | R336 A339 P343 H354 | R336-Y341 HydrophobicContact CG-CD1 4.25Å; R336-Y341 PolarHBondContact O-N 3.28Å; A339-Y341 PolarHBondContact O-N 3.48Å; Y341-P343 HydrophobicContact CD1-CG 4.26Å; Y341-P343 HydrophobicContact CE1-CB 3.78Å; Y341-P343 HydrophobicContact CE1-CG 3.87Å; Y341-P343 WeakPolarHBondContact O-CD 3.41Å; Y341-H354 PolarHBondContact O-CD2 3.27Å | ||
| 342 | K | 89.2 | Confident | 88.3 | Confident | 104 Ų | 104 | 72.4 Ų | 72.4 | 45% | 0.452 | 40% | 0.396 | S | S | . | . | trans | -115.6 | 81.7 | -176.4 | -67.8 | 166 | -173.9 | 176.3 | 0 | 110.3 | G340 F344 F353 | G340-K342 PolarHBondContact O-N 2.79Å; K342-F344 PolarHBondContact O-N 2.89Å; K342-F344 VanDerWaalsContact O-N 3.14Å; K342-F353 CarbonylContact C-O 3.58Å | ||
| 343 | P | 87.1 | Confident | 88.3 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 31% | 0.305 | 38% | 0.382 | S | S | . | . | trans | -66.3 | -16.3 | -174.8 | 23.3 | -32.2 | 0 | 0 | 0 | 114.1 | Y341 | Y341-P343 HydrophobicContact CD1-CG 4.26Å; Y341-P343 HydrophobicContact CE1-CB 3.78Å; Y341-P343 HydrophobicContact CE1-CG 3.87Å; Y341-P343 WeakPolarHBondContact O-CD 3.41Å | ||
| 344 | F | 89.9 | Confident | 88.2 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 25% | 0.25 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 99.5 | -176.9 | -52.5 | -72 | 0 | 0 | 0 | 110.1 | K342 G352 F353 Q355 K356 Y359 | K342-F344 PolarHBondContact O-N 2.89Å; K342-F344 VanDerWaalsContact O-N 3.14Å; F344-G352 CarbonylContact O-C 3.52Å; F344-G352 WeakPolarHBondContact O-CA 3.38Å; F344-F353 HydrophobicContact CB-CB 4.31Å; F344-F353 PolarHBondContact N-O 3.34Å; F344-F353 PolarHBondContact O-N 3.37Å; F344-Q355 VanDerWaalsContact CD2-C 3.41Å; F344-K356 HydrophobicContact CD1-CB 4.38Å; F344-K356 HydrophobicContact CD2-CB 4.41Å; F344-K356 HydrophobicContact CE1-CB 3.92Å; F344-K356 HydrophobicContact CE1-CD 4.46Å; F344-K356 HydrophobicContact CE1-CG 4.16Å; F344-K356 HydrophobicContact CE2-CB 3.96Å; F344-K356 VanDerWaalsContact CE2-N 3.26Å; F344-K356 HydrophobicContact CZ-CB 3.7Å; F344-K356 HydrophobicContact CZ-CG 4.42Å; F344-Y359 HydrophobicContact CB-CD1 4.3Å; F344-Y359 HydrophobicContact CB-CD2 4Å; F344-Y359 HydrophobicContact CB-CG 3.73Å |
| 345 | V | 89.9 | Confident | 88.1 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 46% | 0.461 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.3 | -179.9 | -175.7 | 0 | 0 | 0 | 0 | 110 | E347 Y359 | V345-E347 PolarHBondContact O-N 3.18Å; V345-Y359 VanDerWaalsContact O-CE2 3.23Å; V345-Y359 WeakPolarHBondContact O-CE2 3.26Å |
| 346 | C | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 42% | 0.415 | C | S | . | . | trans | -76.4 | 116.9 | 173 | -168.3 | 0 | 0 | 0 | 0 | 110.5 | F348 C349 G350 K351 F353 Y359 H362 H366 | C346-F348 VanDerWaalsContact C-N 3.25Å; C346-F348 PolarHBondContact O-N 2.86Å; C346-C349 PolarHBondContact O-N 3.44Å; C346-C349 VanDerWaalsContact SG-SG 3.7Å; C346-G350 WeakPolarHBondContact O-CA 3.29Å; C346-G350 PolarHBondContact O-N 3.29Å; C346-K351 WeakPolarHBondContact CB-O 3.15Å; C346-K351 PolarHBondContact N-O 3.32Å; C346-F353 HydrophobicContact CB-CE2 4.46Å; C346-Y359 HydrophobicContact CB-CE2 4.41Å; C346-H362 VanDerWaalsContact SG-CD2 3.58Å; C346-H362 PolarHBondContact SG-NE2 3.35Å; C346-H362 VanDerWaalsContact SG-NE2 3.35Å; C346-H366 VanDerWaalsContact SG-CD2 3.51Å; C346-H366 PolarHBondContact SG-NE2 3.11Å; C346-H366 VanDerWaalsContact SG-NE2 3.44Å | ||
| 347 | E | 88.1 | Confident | 87.9 | Confident | 161 Ų | 161 | 78 Ų | 78 | 75% | 0.752 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -32.5 | 177.5 | -68.5 | 159.1 | -170.7 | 0 | 0 | 111.9 | V345 | V345-E347 PolarHBondContact O-N 3.18Š|
| 348 | F | 85.3 | Confident | 87.8 | Confident | 143 Ų | 143 | 77.6 Ų | 77.6 | 63% | 0.627 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -25.2 | -177.7 | -60.6 | -75.3 | 0 | 0 | 0 | 114.5 | C346 | C346-F348 VanDerWaalsContact C-N 3.25Å; C346-F348 PolarHBondContact O-N 2.86Å |
| 349 | C | 88.6 | Confident | 87.8 | Confident | 50 Ų | 50 | 76 Ų | 76 | 34% | 0.338 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.6 | 8.4 | -174.7 | 71.8 | 0 | 0 | 0 | 0 | 115 | C346 K351 H362 H366 | C346-C349 PolarHBondContact O-N 3.44Å; C346-C349 VanDerWaalsContact SG-SG 3.7Å; C349-K351 PolarHBondContact O-N 3.27Å; C349-H362 PolarHBondContact SG-NE2 2.91Å; C349-H366 PolarHBondContact SG-NE2 3.01Å |
| 350 | G | 86.4 | Confident | 87.9 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 59% | 0.588 | 41% | 0.413 | S | S | * | . | trans | 66.9 | -0.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | C346 G352 | C346-G350 WeakPolarHBondContact O-CA 3.29Å; C346-G350 PolarHBondContact O-N 3.29Å; G350-G352 PolarHBondContact O-N 3.43Å | ||
| 351 | K | 89.4 | Confident | 87.8 | Confident | 129 Ų | 129 | 79.5 Ų | 79.5 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | trans | -70.5 | 121.9 | -176.6 | -70.8 | -178.6 | -177.8 | 178.9 | 0 | 111.4 | C346 C349 F353 | C346-K351 WeakPolarHBondContact CB-O 3.15Å; C346-K351 PolarHBondContact N-O 3.32Å; C349-K351 PolarHBondContact O-N 3.27Å; K351-F353 HydrophobicContact CB-CE2 3.93Å; K351-F353 HydrophobicContact CB-CZ 4.13Å; K351-F353 WeakPolarHBondContact O-CD2 3.13Å; K351-F353 VanDerWaalsContact O-CE2 3.22Å; K351-F353 WeakPolarHBondContact O-CE2 3.37Å | ||
| 352 | G | 88.9 | Confident | 87.8 | Confident | 24 Ų | 24 | 74 Ų | 74 | 25% | 0.247 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 141.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F344 G350 | F344-G352 CarbonylContact O-C 3.52Å; F344-G352 WeakPolarHBondContact O-CA 3.38Å; G350-G352 PolarHBondContact O-N 3.43Å |
| 353 | F | 88.2 | Confident | 87.6 | Confident | 42 Ų | 42 | 72.6 Ų | 72.6 | 18% | 0.184 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 145.2 | -179.1 | -59.4 | -91.8 | 0 | 0 | 0 | 111.8 | K342 F344 C346 K351 N358 Y359 H362 | K342-F353 CarbonylContact C-O 3.58Å; F344-F353 HydrophobicContact CB-CB 4.31Å; F344-F353 PolarHBondContact N-O 3.34Å; F344-F353 PolarHBondContact O-N 3.37Å; C346-F353 HydrophobicContact CB-CE2 4.46Å; K351-F353 HydrophobicContact CB-CE2 3.93Å; K351-F353 HydrophobicContact CB-CZ 4.13Å; K351-F353 WeakPolarHBondContact O-CD2 3.13Å; K351-F353 VanDerWaalsContact O-CE2 3.22Å; K351-F353 WeakPolarHBondContact O-CE2 3.37Å; F353-N358 HydrophobicContact CD1-CB 4Å; F353-Y359 HydrophobicContact CD2-CD2 4.07Å; F353-H362 HydrophobicContact CE1-CB 3.91Å; F353-H362 HydrophobicContact CE2-CB 3.83Å; F353-H362 AromaticContact CE2-CD2 3.26Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.27Å; F353-H362 AromaticContact CE2-CG 3.56Å; F353-H362 HydrophobicContact CZ-CB 3.38Å; F353-H362 AromaticContact CZ-CD2 3.38Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.48Å; F353-H362 AromaticContact CZ-CG 3.18Å; F353-H362 AromaticContact CZ-ND1 3.79Å |
| 354 | H | 87.2 | Confident | 87.4 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 21% | 0.208 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -81.2 | -18.8 | 178.5 | -54.4 | 88.6 | 0 | 0 | 0 | 113.1 | R336 Y341 | R336-H354 PolarHBondContact NH1-O 3.01Å; Y341-H354 PolarHBondContact O-CD2 3.27Å |
| 355 | Q | 88.1 | Confident | 87.1 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 39% | 0.393 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -132.2 | 140 | -175.2 | -62.2 | -174.6 | 18.9 | 0 | 0 | 111.9 | T333 F344 G357 N358 Y359 | T333-Q355 HydrophobicContact CG2-CG 4.39Å; F344-Q355 VanDerWaalsContact CD2-C 3.41Å; Q355-G357 PolarHBondContact O-N 3.28Å; Q355-N358 PolarHBondContact O-N 2.83Å; Q355-Y359 PolarHBondContact O-N 3.28Å; Q355-Y359 VanDerWaalsContact O-N 3.17Å |
| 356 | K | 87.5 | Confident | 86.7 | Confident | 148 Ų | 148 | 72.4 Ų | 72.4 | 64% | 0.643 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.5 | -37.9 | -178.9 | -172.2 | 175 | -179.5 | 174.3 | 0 | 113.1 | F344 Y359 K360 | F344-K356 HydrophobicContact CD1-CB 4.38Å; F344-K356 HydrophobicContact CD2-CB 4.41Å; F344-K356 HydrophobicContact CE1-CB 3.92Å; F344-K356 HydrophobicContact CE1-CD 4.46Å; F344-K356 HydrophobicContact CE1-CG 4.16Å; F344-K356 HydrophobicContact CE2-CB 3.96Å; F344-K356 VanDerWaalsContact CE2-N 3.26Å; F344-K356 HydrophobicContact CZ-CB 3.7Å; F344-K356 HydrophobicContact CZ-CG 4.42Å; K356-Y359 WeakPolarHBondContact O-CB 3.22Å; K356-Y359 PolarHBondContact O-N 2.77Å; K356-K360 PolarHBondContact O-N 3.2Å |
| 357 | G | 85.3 | Confident | 86.1 | Confident | 40 Ų | 40 | 75.5 Ų | 75.5 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q355 Y359 K360 N361 | Q355-G357 PolarHBondContact O-N 3.28Å; G357-Y359 VanDerWaalsContact C-N 3.35Å; G357-Y359 PolarHBondContact O-N 3.06Å; G357-K360 PolarHBondContact O-N 3.39Å; G357-N361 PolarHBondContact O-N 3.45Å; G357-N361 PolarHBondContact O-OD1 2.98Å |
| 358 | N | 86.7 | Confident | 85.4 | Confident | 84 Ų | 84 | 70 Ų | 70 | 45% | 0.449 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 177.4 | -64.7 | -1.3 | 0 | 0 | 0 | 111.4 | F353 Q355 N361 H362 | F353-N358 HydrophobicContact CD1-CB 4Å; Q355-N358 PolarHBondContact O-N 2.83Å; N358-N361 PolarHBondContact O-N 2.82Å; N358-H362 VanDerWaalsContact O-CB 3.3Å; N358-H362 WeakPolarHBondContact O-CB 3.5Å; N358-H362 PolarHBondContact O-N 3.13Å |
| 359 | Y | 89.3 | Confident | 84.9 | Confident | 39 Ų | 39 | 68 Ų | 68 | 15% | 0.153 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 173.1 | 167.7 | -104.7 | 0 | 0 | 0 | 112.3 | F344 V345 C346 F353 Q355 K356 G357 N361 H362 K363 | F344-Y359 HydrophobicContact CB-CD1 4.3Å; F344-Y359 HydrophobicContact CB-CD2 4Å; F344-Y359 HydrophobicContact CB-CG 3.73Å; V345-Y359 VanDerWaalsContact O-CE2 3.23Å; V345-Y359 WeakPolarHBondContact O-CE2 3.26Å; C346-Y359 HydrophobicContact CB-CE2 4.41Å; F353-Y359 HydrophobicContact CD2-CD2 4.07Å; Q355-Y359 PolarHBondContact O-N 3.28Å; Q355-Y359 VanDerWaalsContact O-N 3.17Å; K356-Y359 WeakPolarHBondContact O-CB 3.22Å; K356-Y359 PolarHBondContact O-N 2.77Å; G357-Y359 VanDerWaalsContact C-N 3.35Å; G357-Y359 PolarHBondContact O-N 3.06Å; Y359-N361 PolarHBondContact O-N 3.5Å; Y359-H362 WeakPolarHBondContact O-CB 3.22Å; Y359-H362 PolarHBondContact O-N 3.41Å; Y359-K363 HydrophobicContact CE1-CD 3.75Å; Y359-K363 HydrophobicContact CE1-CG 4.31Å; Y359-K363 HydrophobicContact CE2-CD 4.19Å; Y359-K363 HydrophobicContact CE2-CG 4.12Å; Y359-K363 PolarHBondContact O-N 3.43Å |
| 360 | K | 86.3 | Confident | 84.4 | Confident | 146 Ų | 146 | 70.8 Ų | 70.8 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.4 | -46.4 | 177.6 | -172 | -178.9 | 179.4 | -177.2 | 0 | 111.3 | K356 G357 H362 K363 L364 | K356-K360 PolarHBondContact O-N 3.2Å; G357-K360 PolarHBondContact O-N 3.39Å; K360-H362 VanDerWaalsContact C-N 3.26Å; K360-H362 PolarHBondContact O-N 3.1Å; K360-K363 PolarHBondContact O-N 2.89Å; K360-L364 PolarHBondContact O-N 2.88Å |
| 361 | N | 83.9 | Confident | 84 | Confident | 52 Ų | 52 | 73.6 Ų | 73.6 | 28% | 0.278 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.3 | -34.1 | 177.9 | -69.2 | 2.4 | 0 | 0 | 0 | 111.7 | G357 N358 Y359 L364 Q383 | G357-N361 PolarHBondContact O-N 3.45Å; G357-N361 PolarHBondContact O-OD1 2.98Å; N358-N361 PolarHBondContact O-N 2.82Å; Y359-N361 PolarHBondContact O-N 3.5Å; N361-L364 WeakPolarHBondContact O-CB 3.38Å; N361-L364 PolarHBondContact O-N 3.21Å; N361-Q383 PolarHBondContact ND2-OE1 3.44Å |
| 362 | H | 87.3 | Confident | 83.7 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 12% | 0.12 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 173.4 | 172.8 | 61.7 | 0 | 0 | 0 | 112.4 | C346 C349 F353 N358 Y359 K360 L364 T365 H366 | C346-H362 VanDerWaalsContact SG-CD2 3.58Å; C346-H362 PolarHBondContact SG-NE2 3.35Å; C346-H362 VanDerWaalsContact SG-NE2 3.35Å; C349-H362 PolarHBondContact SG-NE2 2.91Å; F353-H362 HydrophobicContact CE1-CB 3.91Å; F353-H362 HydrophobicContact CE2-CB 3.83Å; F353-H362 AromaticContact CE2-CD2 3.26Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.27Å; F353-H362 AromaticContact CE2-CG 3.56Å; F353-H362 HydrophobicContact CZ-CB 3.38Å; F353-H362 AromaticContact CZ-CD2 3.38Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.48Å; F353-H362 AromaticContact CZ-CG 3.18Å; F353-H362 AromaticContact CZ-ND1 3.79Å; N358-H362 VanDerWaalsContact O-CB 3.3Å; N358-H362 WeakPolarHBondContact O-CB 3.5Å; N358-H362 PolarHBondContact O-N 3.13Å; Y359-H362 WeakPolarHBondContact O-CB 3.22Å; Y359-H362 PolarHBondContact O-N 3.41Å; K360-H362 VanDerWaalsContact C-N 3.26Å; K360-H362 PolarHBondContact O-N 3.1Å; H362-L364 PolarHBondContact O-N 3.3Å; H362-T365 WeakPolarHBondContact O-CB 3.38Å; H362-T365 PolarHBondContact O-N 2.97Å; H362-T365 PolarHBondContact O-OG1 3.1Å; H362-H366 AromaticContact CE1-NE2 3.43Å; H362-H366 PolarHBondContact CE1-NE2 3.23Å; H362-H366 AromaticContact NE2-CD2 3.76Å; H362-H366 AromaticContact NE2-NE2 3.18Å; H362-H366 PolarHBondContact NE2-NE2 3.31Å; H362-H366 VanDerWaalsContact NE2-NE2 3.18Å |
| 363 | K | 84.8 | Confident | 83.5 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.3 | -33.9 | 175.6 | -71.5 | -168.1 | 81.5 | 161 | 0 | 112.6 | Y359 K360 T365 H366 S367 | Y359-K363 HydrophobicContact CE1-CD 3.75Å; Y359-K363 HydrophobicContact CE1-CG 4.31Å; Y359-K363 HydrophobicContact CE2-CD 4.19Å; Y359-K363 HydrophobicContact CE2-CG 4.12Å; Y359-K363 PolarHBondContact O-N 3.43Å; K360-K363 PolarHBondContact O-N 2.89Å; K363-T365 PolarHBondContact O-N 3.32Å; K363-H366 PolarHBondContact O-N 3.48Å; K363-S367 PolarHBondContact O-N 2.96Å |
| 364 | L | 84.1 | Confident | 83.5 | Confident | 20 Ų | 20 | 73.2 Ų | 73.2 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.8 | -22.9 | 176.3 | -61.8 | 175 | 0 | 0 | 0 | 113.2 | K360 N361 H362 H366 G368 E369 H382 | K360-L364 PolarHBondContact O-N 2.88Å; N361-L364 WeakPolarHBondContact O-CB 3.38Å; N361-L364 PolarHBondContact O-N 3.21Å; H362-L364 PolarHBondContact O-N 3.3Å; L364-H366 VanDerWaalsContact C-N 3.26Å; L364-H366 PolarHBondContact O-N 3.44Å; L364-G368 PolarHBondContact O-N 2.73Å; L364-E369 HydrophobicContact CD2-CB 4.16Å; L364-H382 PolarHBondContact O-CE1 3.37Å; L364-H382 PolarHBondContact O-ND1 3.47Å |
| 365 | T | 82.6 | Confident | 83.4 | Confident | 74 Ų | 74 | 77.4 Ų | 77.4 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.9 | -25 | 175.1 | 70 | 0 | 0 | 0 | 0 | 112.1 | H362 K363 | H362-T365 WeakPolarHBondContact O-CB 3.38Å; H362-T365 PolarHBondContact O-N 2.97Å; H362-T365 PolarHBondContact O-OG1 3.1Å; K363-T365 PolarHBondContact O-N 3.32Å |
| 366 | H | 82 | Confident | 83.3 | Confident | 81 Ų | 81 | 78 Ų | 78 | 38% | 0.375 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -84.7 | -40.4 | 177 | -66.3 | -56.8 | 0 | 0 | 0 | 112.3 | C346 C349 H362 K363 L364 G368 | C346-H366 VanDerWaalsContact SG-CD2 3.51Å; C346-H366 PolarHBondContact SG-NE2 3.11Å; C346-H366 VanDerWaalsContact SG-NE2 3.44Å; C349-H366 PolarHBondContact SG-NE2 3.01Å; H362-H366 AromaticContact CE1-NE2 3.43Å; H362-H366 PolarHBondContact CE1-NE2 3.23Å; H362-H366 AromaticContact NE2-CD2 3.76Å; H362-H366 AromaticContact NE2-NE2 3.18Å; H362-H366 PolarHBondContact NE2-NE2 3.31Å; H362-H366 VanDerWaalsContact NE2-NE2 3.18Å; K363-H366 PolarHBondContact O-N 3.48Å; L364-H366 VanDerWaalsContact C-N 3.26Å; L364-H366 PolarHBondContact O-N 3.44Å; H366-G368 PolarHBondContact O-N 2.87Å |
| 367 | S | 78.5 | Confident | 83.3 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 46% | 0.462 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -77.4 | -8.3 | 177.7 | 88.5 | 0 | 0 | 0 | 0 | 113.5 | K363 E369 | K363-S367 PolarHBondContact O-N 2.96Å; S367-E369 PolarHBondContact O-N 3.16Å; S367-E369 VanDerWaalsContact O-N 3.11Å; S367-E369 WeakPolarHBondContact OG-CB 3.45Å; S367-E369 WeakPolarHBondContact OG-CG 3.49Å; S367-E369 PolarHBondContact OG-OE1 2.97Å |
| 368 | G | 73.3 | Confident | 83.2 | Confident | 45 Ų | 45 | 77.2 Ų | 77.2 | 46% | 0.464 | 40% | 0.396 | S | S | . | . | trans | 70.6 | 1.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L364 H366 K370 | L364-G368 PolarHBondContact O-N 2.73Å; H366-G368 PolarHBondContact O-N 2.87Å; G368-K370 PolarHBondContact O-N 3.04Å | ||
| 369 | E | 74.4 | Confident | 83.1 | Confident | 101 Ų | 101 | 79.4 Ų | 79.4 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | trans | -64.2 | 101.6 | 179.4 | -78.1 | 169.3 | -125.9 | 0 | 0 | 111.3 | L364 S367 H382 | L364-E369 HydrophobicContact CD2-CB 4.16Å; S367-E369 PolarHBondContact O-N 3.16Å; S367-E369 VanDerWaalsContact O-N 3.11Å; S367-E369 WeakPolarHBondContact OG-CB 3.45Å; S367-E369 WeakPolarHBondContact OG-CG 3.49Å; S367-E369 PolarHBondContact OG-OE1 2.97Å; E369-H382 PolarHBondContact O-ND1 2.78Å | ||
| 370 | K | 78.1 | Confident | 82.8 | Confident | 108 Ų | 108 | 78.9 Ų | 78.9 | 47% | 0.47 | 41% | 0.405 | S | S | . | . | trans | -100.4 | 91.4 | 175 | -70.1 | 164.6 | 169.9 | -173.8 | 0 | 109.2 | G368 F372 A380 F381 H382 | G368-K370 PolarHBondContact O-N 3.04Å; K370-F372 VanDerWaalsContact C-N 3.29Å; K370-F372 PolarHBondContact O-N 3.23Å; K370-A380 HydrophobicContact CB-CB 3.36Å; K370-A380 HydrophobicContact CD-CB 3.91Å; K370-A380 VanDerWaalsContact CD-O 3.27Å; K370-A380 WeakPolarHBondContact CD-O 3.45Å; K370-A380 HydrophobicContact CG-CB 4.2Å; K370-F381 CarbonylContact C-O 3.38Å; K370-F381 WeakPolarHBondContact CA-O 3.48Å; K370-H382 VanDerWaalsContact CG-CE1 3.42Å; K370-H382 WeakPolarHBondContact CG-CE1 3.48Å | ||
| 371 | Q | 78.8 | Confident | 82.7 | Confident | 117 Ų | 117 | 74 Ų | 74 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | trans | -73.4 | -19.6 | -173.8 | -63.1 | -179.6 | -14.1 | 0 | 0 | 113.4 | F381 | Q371-F381 PolarHBondContact N-O 3.03Š| ||
| 372 | F | 82.3 | Confident | 82.5 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 27% | 0.268 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 103.6 | -172.5 | -56.1 | -71.4 | 0 | 0 | 0 | 110.6 | K370 A380 F381 H382 V384 L387 | K370-F372 VanDerWaalsContact C-N 3.29Å; K370-F372 PolarHBondContact O-N 3.23Å; F372-A380 CarbonylContact O-C 3.54Å; F372-A380 WeakPolarHBondContact O-CA 3.49Å; F372-F381 HydrophobicContact CB-CB 4.49Å; F372-F381 PolarHBondContact N-O 3.24Å; F372-F381 PolarHBondContact O-N 3.3Å; F372-H382 WeakPolarHBondContact CE2-O 3.46Å; F372-V384 HydrophobicContact CD1-CG2 3.6Å; F372-V384 HydrophobicContact CD2-CG2 4.27Å; F372-V384 HydrophobicContact CE1-CG2 3.24Å; F372-V384 HydrophobicContact CE2-CG2 3.95Å; F372-V384 HydrophobicContact CG-CG2 4.11Å; F372-V384 HydrophobicContact CZ-CG2 3.43Å; F372-V384 VanDerWaalsContact CZ-CG2 3.43Å; F372-L387 HydrophobicContact CB-CB 4.2Å; F372-L387 HydrophobicContact CB-CD2 3.92Å |
| 373 | K | 85.5 | Confident | 82.2 | Confident | 125 Ų | 125 | 74.5 Ų | 74.5 | 54% | 0.543 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 140.2 | 180 | -60 | -176.3 | -178.2 | -179 | 0 | 111.1 | A380 | K373-A380 HydrophobicContact CG-CB 3.92Å |
| 374 | C | 88.8 | Confident | 82.2 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.007 | 39% | 0.392 | C | S | . | . | trans | -70.5 | 130.3 | 166.3 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | I376 C377 N378 K379 L387 H390 M391 H394 | C374-I376 VanDerWaalsContact C-N 3.33Å; C374-I376 PolarHBondContact SG-N 3.08Å; C374-C377 PolarHBondContact SG-N 2.75Å; C374-C377 VanDerWaalsContact SG-SG 3.66Å; C374-N378 WeakPolarHBondContact O-CA 3.44Å; C374-N378 PolarHBondContact O-N 3.45Å; C374-K379 WeakPolarHBondContact CB-O 3.45Å; C374-K379 PolarHBondContact N-O 2.8Å; C374-L387 HydrophobicContact CB-CD1 3.94Å; C374-H390 PolarHBondContact SG-NE2 3.46Å; C374-M391 HydrophobicContact CB-CE 3.65Å; C374-M391 WeakPolarHBondContact SG-CE 3.47Å; C374-H394 PolarHBondContact SG-NE2 3.41Å; C374-H394 VanDerWaalsContact SG-NE2 3.39Å | ||
| 375 | N | 84.9 | Confident | 82.1 | Confident | 132 Ų | 132 | 79.2 Ų | 79.2 | 71% | 0.706 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -21.6 | 175.5 | 58.2 | -19.1 | 0 | 0 | 0 | 113.6 | ||
| 376 | I | 85.8 | Confident | 82.2 | Confident | 96 Ų | 96 | 78.3 Ų | 78.3 | 49% | 0.492 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -51.2 | -177.5 | -61.5 | 168.5 | 0 | 0 | 0 | 111.2 | C374 H394 | C374-I376 VanDerWaalsContact C-N 3.33Å; C374-I376 PolarHBondContact SG-N 3.08Å; I376-H394 HydrophobicContact CD1-CB 3.46Å; I376-H394 VanDerWaalsContact CD1-CB 3.46Å; I376-H394 HydrophobicContact CG2-CB 4.43Å |
| 377 | C | 86.9 | Confident | 82.4 | Confident | 47 Ų | 47 | 75.6 Ų | 75.6 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 13.4 | -174.7 | 78.6 | 0 | 0 | 0 | 0 | 114.1 | C374 K379 H390 H394 | C374-C377 PolarHBondContact SG-N 2.75Å; C374-C377 VanDerWaalsContact SG-SG 3.66Å; C377-K379 PolarHBondContact O-N 3.14Å; C377-K379 VanDerWaalsContact SG-CG 3.54Å; C377-H390 PolarHBondContact SG-CE1 2.94Å; C377-H390 PolarHBondContact SG-NE2 3.18Å; C377-H394 VanDerWaalsContact SG-CE1 3.57Å; C377-H394 PolarHBondContact SG-NE2 2.68Å; C377-H394 VanDerWaalsContact SG-NE2 3.38Å |
| 378 | N | 83.3 | Confident | 82.8 | Confident | 125 Ų | 125 | 75.7 Ų | 75.7 | 67% | 0.668 | 39% | 0.387 | S | S | * | . | trans | 55.8 | 9.9 | 176.8 | -71 | -50.2 | 0 | 0 | 0 | 116.5 | C374 A380 | C374-N378 WeakPolarHBondContact O-CA 3.44Å; C374-N378 PolarHBondContact O-N 3.45Å; N378-A380 PolarHBondContact O-N 3.3Å | ||
| 379 | K | 84.1 | Confident | 83.1 | Confident | 130 Ų | 130 | 77 Ų | 77 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | trans | -66.9 | 130.6 | 175.5 | -73.5 | -176.6 | -173.9 | -164.6 | 0 | 109.8 | C374 C377 F381 | C374-K379 WeakPolarHBondContact CB-O 3.45Å; C374-K379 PolarHBondContact N-O 2.8Å; C377-K379 PolarHBondContact O-N 3.14Å; C377-K379 VanDerWaalsContact SG-CG 3.54Å; K379-F381 HydrophobicContact CB-CE2 3.92Å; K379-F381 HydrophobicContact CB-CZ 4.07Å; K379-F381 WeakPolarHBondContact O-CD2 3.41Å; K379-F381 VanDerWaalsContact O-CE2 3.31Å; K379-F381 WeakPolarHBondContact O-CE2 3.2Å | ||
| 380 | A | 84.4 | Confident | 83.6 | Confident | 28 Ų | 28 | 73.3 Ų | 73.3 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K370 F372 K373 N378 | K370-A380 HydrophobicContact CB-CB 3.36Å; K370-A380 HydrophobicContact CD-CB 3.91Å; K370-A380 VanDerWaalsContact CD-O 3.27Å; K370-A380 WeakPolarHBondContact CD-O 3.45Å; K370-A380 HydrophobicContact CG-CB 4.2Å; F372-A380 CarbonylContact O-C 3.54Å; F372-A380 WeakPolarHBondContact O-CA 3.49Å; K373-A380 HydrophobicContact CG-CB 3.92Å; N378-A380 PolarHBondContact O-N 3.3Å |
| 381 | F | 82.9 | Confident | 83.9 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 20% | 0.197 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 153.9 | -176.2 | -58.2 | -89.4 | 0 | 0 | 0 | 110.7 | K370 Q371 F372 K379 N386 L387 H390 | K370-F381 CarbonylContact C-O 3.38Å; K370-F381 WeakPolarHBondContact CA-O 3.48Å; Q371-F381 PolarHBondContact N-O 3.03Å; F372-F381 HydrophobicContact CB-CB 4.49Å; F372-F381 PolarHBondContact N-O 3.24Å; F372-F381 PolarHBondContact O-N 3.3Å; K379-F381 HydrophobicContact CB-CE2 3.92Å; K379-F381 HydrophobicContact CB-CZ 4.07Å; K379-F381 WeakPolarHBondContact O-CD2 3.41Å; K379-F381 VanDerWaalsContact O-CE2 3.31Å; K379-F381 WeakPolarHBondContact O-CE2 3.2Å; F381-N386 HydrophobicContact CB-CB 4.13Å; F381-N386 HydrophobicContact CD1-CB 3.84Å; F381-N386 HydrophobicContact CG-CB 4.2Å; F381-L387 HydrophobicContact CD2-CB 4.09Å; F381-L387 HydrophobicContact CD2-CD1 3.91Å; F381-L387 HydrophobicContact CE2-CD1 4.09Å; F381-L387 HydrophobicContact CG-CB 4.5Å; F381-H390 HydrophobicContact CE1-CB 4.08Å; F381-H390 HydrophobicContact CE2-CB 3.87Å; F381-H390 AromaticContact CE2-CD2 3.23Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.47Å; F381-H390 AromaticContact CE2-CG 3.63Å; F381-H390 AromaticContact CE2-NE2 3.99Å; F381-H390 HydrophobicContact CZ-CB 3.46Å; F381-H390 VanDerWaalsContact CZ-CB 3.46Å; F381-H390 AromaticContact CZ-CD2 3.37Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.23Å; F381-H390 AromaticContact CZ-CG 3.28Å; F381-H390 AromaticContact CZ-ND1 3.95Å |
| 382 | H | 80.1 | Confident | 84.1 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 18% | 0.181 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -81.9 | -16.2 | 176.7 | -58 | -73 | 0 | 0 | 0 | 113.5 | L364 E369 K370 F372 | L364-H382 PolarHBondContact O-CE1 3.37Å; L364-H382 PolarHBondContact O-ND1 3.47Å; E369-H382 PolarHBondContact O-ND1 2.78Å; K370-H382 VanDerWaalsContact CG-CE1 3.42Å; K370-H382 WeakPolarHBondContact CG-CE1 3.48Å; F372-H382 WeakPolarHBondContact CE2-O 3.46Å |
| 383 | Q | 81.5 | Confident | 84.1 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -138.7 | 142 | -175.1 | -52.2 | -166 | 57.1 | 0 | 0 | 111.5 | N361 Y385 N386 L387 | N361-Q383 PolarHBondContact ND2-OE1 3.44Å; Q383-Y385 VanDerWaalsContact C-N 3.32Å; Q383-Y385 HydrophobicContact CB-CD1 3.74Å; Q383-Y385 HydrophobicContact CB-CE1 3.63Å; Q383-Y385 HydrophobicContact CG-CE1 4.04Å; Q383-Y385 PolarHBondContact NE2-OH 3.02Å; Q383-Y385 PolarHBondContact O-N 2.93Å; Q383-N386 WeakPolarHBondContact O-CB 3.34Å; Q383-N386 PolarHBondContact O-N 2.8Å; Q383-N386 VanDerWaalsContact O-N 3.17Å; Q383-L387 PolarHBondContact O-N 2.75Å |
| 384 | V | 83.5 | Confident | 83.8 | Confident | 79 Ų | 79 | 63.7 Ų | 63.7 | 48% | 0.479 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.6 | -42.8 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 111.8 | F372 N386 L387 T388 | F372-V384 HydrophobicContact CD1-CG2 3.6Å; F372-V384 HydrophobicContact CD2-CG2 4.27Å; F372-V384 HydrophobicContact CE1-CG2 3.24Å; F372-V384 HydrophobicContact CE2-CG2 3.95Å; F372-V384 HydrophobicContact CG-CG2 4.11Å; F372-V384 HydrophobicContact CZ-CG2 3.43Å; F372-V384 VanDerWaalsContact CZ-CG2 3.43Å; V384-N386 PolarHBondContact O-N 3.41Å; V384-L387 CarbonylContact O-C 3.35Å; V384-L387 WeakPolarHBondContact O-CA 3.39Å; V384-L387 WeakPolarHBondContact O-CB 3.37Å; V384-L387 PolarHBondContact O-N 3.39Å; V384-T388 PolarHBondContact O-N 3.44Å; V384-T388 PolarHBondContact O-OG1 3.12Å; V384-T388 VanDerWaalsContact O-OG1 3.11Å |
| 385 | Y | 82.8 | Confident | 83.3 | Confident | 115 Ų | 115 | 67.7 Ų | 67.7 | 45% | 0.451 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.5 | -34.3 | -178.3 | 77.7 | -102.7 | 0 | 0 | 0 | 112 | Q383 L387 T388 F389 | Q383-Y385 VanDerWaalsContact C-N 3.32Å; Q383-Y385 HydrophobicContact CB-CD1 3.74Å; Q383-Y385 HydrophobicContact CB-CE1 3.63Å; Q383-Y385 HydrophobicContact CG-CE1 4.04Å; Q383-Y385 PolarHBondContact NE2-OH 3.02Å; Q383-Y385 PolarHBondContact O-N 2.93Å; Y385-L387 VanDerWaalsContact C-N 3.35Å; Y385-T388 PolarHBondContact O-N 3.36Å; Y385-F389 AromaticContact CD2-CD2 3.94Å; Y385-F389 HydrophobicContact CD2-CD2 3.94Å; Y385-F389 AromaticContact CD2-CE2 3.94Å; Y385-F389 HydrophobicContact CD2-CE2 3.94Å; Y385-F389 WeakPolarHBondContact O-CD2 3.29Å; Y385-F389 PolarHBondContact O-N 3.12Å |
| 386 | N | 84.4 | Confident | 82.7 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 175.7 | -73.7 | -41.4 | 0 | 0 | 0 | 110.7 | F381 Q383 V384 F389 H390 | F381-N386 HydrophobicContact CB-CB 4.13Å; F381-N386 HydrophobicContact CD1-CB 3.84Å; F381-N386 HydrophobicContact CG-CB 4.2Å; Q383-N386 WeakPolarHBondContact O-CB 3.34Å; Q383-N386 PolarHBondContact O-N 2.8Å; Q383-N386 VanDerWaalsContact O-N 3.17Å; V384-N386 PolarHBondContact O-N 3.41Å; N386-F389 PolarHBondContact O-N 3.38Å; N386-H390 VanDerWaalsContact O-CB 3.28Å; N386-H390 WeakPolarHBondContact O-CB 3.22Å; N386-H390 PolarHBondContact O-N 3.44Å |
| 387 | L | 86.6 | Confident | 82.2 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 173 | 175.3 | 63.6 | 0 | 0 | 0 | 111 | F372 C374 F381 Q383 V384 Y385 F389 H390 M391 | F372-L387 HydrophobicContact CB-CB 4.2Å; F372-L387 HydrophobicContact CB-CD2 3.92Å; C374-L387 HydrophobicContact CB-CD1 3.94Å; F381-L387 HydrophobicContact CD2-CB 4.09Å; F381-L387 HydrophobicContact CD2-CD1 3.91Å; F381-L387 HydrophobicContact CE2-CD1 4.09Å; F381-L387 HydrophobicContact CG-CB 4.5Å; Q383-L387 PolarHBondContact O-N 2.75Å; V384-L387 CarbonylContact O-C 3.35Å; V384-L387 WeakPolarHBondContact O-CA 3.39Å; V384-L387 WeakPolarHBondContact O-CB 3.37Å; V384-L387 PolarHBondContact O-N 3.39Å; Y385-L387 VanDerWaalsContact C-N 3.35Å; L387-F389 PolarHBondContact O-N 3.11Å; L387-H390 CarbonylContact O-C 3.6Å; L387-H390 WeakPolarHBondContact O-CA 3.41Å; L387-H390 WeakPolarHBondContact O-CB 3.43Å; L387-H390 PolarHBondContact O-N 3.37Å; L387-H390 VanDerWaalsContact O-N 3.14Å; L387-M391 HydrophobicContact CD1-CE 3.5Å; L387-M391 VanDerWaalsContact CD1-CE 3.5Å; L387-M391 HydrophobicContact CD1-SD 4.36Å; L387-M391 HydrophobicContact CG-CE 4.45Å; L387-M391 WeakPolarHBondContact O-CG 3.22Å; L387-M391 PolarHBondContact O-N 3.4Å |
| 388 | T | 85.9 | Confident | 82 | Confident | 68 Ų | 68 | 72 Ų | 72 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 177.6 | -52.2 | 0 | 0 | 0 | 0 | 112 | V384 Y385 H390 M391 H392 | V384-T388 PolarHBondContact O-N 3.44Å; V384-T388 PolarHBondContact O-OG1 3.12Å; V384-T388 VanDerWaalsContact O-OG1 3.11Å; Y385-T388 PolarHBondContact O-N 3.36Å; T388-H390 VanDerWaalsContact C-N 3.29Å; T388-H390 PolarHBondContact O-N 3.18Å; T388-M391 WeakPolarHBondContact O-CB 3.49Å; T388-M391 PolarHBondContact O-N 3.4Å; T388-M391 VanDerWaalsContact O-N 3.1Å; T388-H392 PolarHBondContact O-N 2.78Å |
| 389 | F | 81.3 | Confident | 81.9 | Confident | 71 Ų | 71 | 69.5 Ų | 69.5 | 31% | 0.311 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.6 | -34.3 | 175.3 | -73.6 | -58.7 | 0 | 0 | 0 | 112.8 | Y385 N386 L387 M391 H392 F400 C410 R411 | Y385-F389 AromaticContact CD2-CD2 3.94Å; Y385-F389 HydrophobicContact CD2-CD2 3.94Å; Y385-F389 AromaticContact CD2-CE2 3.94Å; Y385-F389 HydrophobicContact CD2-CE2 3.94Å; Y385-F389 WeakPolarHBondContact O-CD2 3.29Å; Y385-F389 PolarHBondContact O-N 3.12Å; N386-F389 PolarHBondContact O-N 3.38Å; L387-F389 PolarHBondContact O-N 3.11Å; F389-M391 VanDerWaalsContact C-N 3.31Å; F389-H392 AromaticContact CD1-ND1 3.86Å; F389-H392 WeakPolarHBondContact O-CB 3.49Å; F389-H392 PolarHBondContact O-N 3.46Å; F389-F400 HydrophobicContact CE1-CE2 4.37Å; F389-C410 WeakPolarHBondContact CD1-O 3.4Å; F389-R411 HydrophobicContact CB-CG 4.26Å; F389-R411 HydrophobicContact CD1-CG 3.9Å; F389-R411 HydrophobicContact CE1-CG 4.45Å; F389-R411 HydrophobicContact CG-CG 4.05Å |
| 390 | H | 84.9 | Confident | 81.9 | Confident | 24 Ų | 24 | 66.2 Ų | 66.2 | 11% | 0.111 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.1 | -33 | 171.9 | 173.2 | 55.6 | 0 | 0 | 0 | 111.9 | C374 C377 F381 N386 L387 T388 H392 T393 H394 | C374-H390 PolarHBondContact SG-NE2 3.46Å; C377-H390 PolarHBondContact SG-CE1 2.94Å; C377-H390 PolarHBondContact SG-NE2 3.18Å; F381-H390 HydrophobicContact CE1-CB 4.08Å; F381-H390 HydrophobicContact CE2-CB 3.87Å; F381-H390 AromaticContact CE2-CD2 3.23Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.47Å; F381-H390 AromaticContact CE2-CG 3.63Å; F381-H390 AromaticContact CE2-NE2 3.99Å; F381-H390 HydrophobicContact CZ-CB 3.46Å; F381-H390 VanDerWaalsContact CZ-CB 3.46Å; F381-H390 AromaticContact CZ-CD2 3.37Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.23Å; F381-H390 AromaticContact CZ-CG 3.28Å; F381-H390 AromaticContact CZ-ND1 3.95Å; N386-H390 VanDerWaalsContact O-CB 3.28Å; N386-H390 WeakPolarHBondContact O-CB 3.22Å; N386-H390 PolarHBondContact O-N 3.44Å; L387-H390 CarbonylContact O-C 3.6Å; L387-H390 WeakPolarHBondContact O-CA 3.41Å; L387-H390 WeakPolarHBondContact O-CB 3.43Å; L387-H390 PolarHBondContact O-N 3.37Å; L387-H390 VanDerWaalsContact O-N 3.14Å; T388-H390 VanDerWaalsContact C-N 3.29Å; T388-H390 PolarHBondContact O-N 3.18Å; H390-H392 PolarHBondContact O-N 3.07Å; H390-T393 PolarHBondContact ND1-OG1 3.08Å; H390-T393 WeakPolarHBondContact O-CB 3.39Å; H390-T393 PolarHBondContact O-N 3.2Å; H390-T393 PolarHBondContact O-OG1 3.04Å; H390-H394 AromaticContact CE1-CE1 3.93Å; H390-H394 AromaticContact CE1-NE2 3.22Å; H390-H394 PolarHBondContact CE1-NE2 3.15Å; H390-H394 AromaticContact NE2-CD2 3.92Å; H390-H394 AromaticContact NE2-NE2 3.12Å; H390-H394 PolarHBondContact NE2-NE2 3.06Å; H390-H394 VanDerWaalsContact NE2-NE2 3.12Å |
| 391 | M | 83.4 | Confident | 82.1 | Confident | 36 Ų | 36 | 69 Ų | 69 | 18% | 0.177 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.2 | -30.4 | 175.9 | -68.9 | -51.4 | 87.5 | 0 | 0 | 112.1 | C374 L387 T388 F389 T393 H394 N395 | C374-M391 HydrophobicContact CB-CE 3.65Å; C374-M391 WeakPolarHBondContact SG-CE 3.47Å; L387-M391 HydrophobicContact CD1-CE 3.5Å; L387-M391 VanDerWaalsContact CD1-CE 3.5Å; L387-M391 HydrophobicContact CD1-SD 4.36Å; L387-M391 HydrophobicContact CG-CE 4.45Å; L387-M391 WeakPolarHBondContact O-CG 3.22Å; L387-M391 PolarHBondContact O-N 3.4Å; T388-M391 WeakPolarHBondContact O-CB 3.49Å; T388-M391 PolarHBondContact O-N 3.4Å; T388-M391 VanDerWaalsContact O-N 3.1Å; F389-M391 VanDerWaalsContact C-N 3.31Å; M391-T393 PolarHBondContact O-N 3.5Å; M391-H394 PolarHBondContact O-N 3.16Å; M391-H394 VanDerWaalsContact O-N 3.11Å; M391-N395 PolarHBondContact O-N 3.49Å; M391-N395 PolarHBondContact O-ND2 3.43Å |
| 392 | H | 83.8 | Confident | 82.4 | Confident | 40 Ų | 40 | 67 Ų | 67 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.2 | 173.3 | -63 | 145.2 | 0 | 0 | 0 | 113.4 | T388 F389 H390 H394 D396 K397 C410 | T388-H392 PolarHBondContact O-N 2.78Å; F389-H392 AromaticContact CD1-ND1 3.86Å; F389-H392 WeakPolarHBondContact O-CB 3.49Å; F389-H392 PolarHBondContact O-N 3.46Å; H390-H392 PolarHBondContact O-N 3.07Å; H392-H394 VanDerWaalsContact C-N 3.33Å; H392-D396 PolarHBondContact O-N 3.14Å; H392-K397 WeakPolarHBondContact CB-O 3.36Å; H392-C410 HydrophobicContact CB-CB 3.97Å |
| 393 | T | 80.5 | Confident | 82.7 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -20.3 | 175.4 | 71.6 | 0 | 0 | 0 | 0 | 113.2 | H390 M391 | H390-T393 PolarHBondContact ND1-OG1 3.08Å; H390-T393 WeakPolarHBondContact O-CB 3.39Å; H390-T393 PolarHBondContact O-N 3.2Å; H390-T393 PolarHBondContact O-OG1 3.04Å; M391-T393 PolarHBondContact O-N 3.5Å |
| 394 | H | 80.8 | Confident | 82.9 | Confident | 62 Ų | 62 | 73 Ų | 73 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -24.7 | 177.3 | -62 | -62 | 0 | 0 | 0 | 113.1 | C374 I376 C377 H390 M391 H392 | C374-H394 PolarHBondContact SG-NE2 3.41Å; C374-H394 VanDerWaalsContact SG-NE2 3.39Å; I376-H394 HydrophobicContact CD1-CB 3.46Å; I376-H394 VanDerWaalsContact CD1-CB 3.46Å; I376-H394 HydrophobicContact CG2-CB 4.43Å; C377-H394 VanDerWaalsContact SG-CE1 3.57Å; C377-H394 PolarHBondContact SG-NE2 2.68Å; C377-H394 VanDerWaalsContact SG-NE2 3.38Å; H390-H394 AromaticContact CE1-CE1 3.93Å; H390-H394 AromaticContact CE1-NE2 3.22Å; H390-H394 PolarHBondContact CE1-NE2 3.15Å; H390-H394 AromaticContact NE2-CD2 3.92Å; H390-H394 AromaticContact NE2-NE2 3.12Å; H390-H394 PolarHBondContact NE2-NE2 3.06Å; H390-H394 VanDerWaalsContact NE2-NE2 3.12Å; M391-H394 PolarHBondContact O-N 3.16Å; M391-H394 VanDerWaalsContact O-N 3.11Å; H392-H394 VanDerWaalsContact C-N 3.33Å |
| 395 | N | 78.6 | Confident | 83.2 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 45% | 0.449 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -96.7 | 1.1 | -177 | -70.1 | -91.5 | 0 | 0 | 0 | 112.7 | M391 K397 | M391-N395 PolarHBondContact O-N 3.49Å; M391-N395 PolarHBondContact O-ND2 3.43Å; N395-K397 HydrophobicContact CB-CB 4.4Å; N395-K397 HydrophobicContact CB-CD 4.13Å; N395-K397 HydrophobicContact CB-CG 4.03Å; N395-K397 PolarHBondContact O-N 2.92Å |
| 396 | D | 71.9 | Confident | 83.2 | Confident | 123 Ų | 123 | 68.6 Ų | 68.6 | 66% | 0.658 | 38% | 0.383 | S | S | * | . | trans | 48.7 | 11.9 | -169.7 | -69.2 | -54.9 | 0 | 0 | 0 | 115.9 | H392 K398 | H392-D396 PolarHBondContact O-N 3.14Å; D396-K398 PolarHBondContact O-N 3.33Å | ||
| 397 | K | 75.1 | Confident | 83.3 | Confident | 135 Ų | 135 | 71.9 Ų | 71.9 | 59% | 0.587 | 39% | 0.394 | S | S | * | . | trans | -69.7 | 103.4 | 175.4 | -70.9 | 179.9 | -175.8 | 179.9 | 0 | 107.3 | H392 N395 P399 | H392-K397 WeakPolarHBondContact CB-O 3.36Å; N395-K397 HydrophobicContact CB-CB 4.4Å; N395-K397 HydrophobicContact CB-CD 4.13Å; N395-K397 HydrophobicContact CB-CG 4.03Å; N395-K397 PolarHBondContact O-N 2.92Å; K397-P399 VanDerWaalsContact O-CD 3.23Å; K397-P399 WeakPolarHBondContact O-CD 3.37Å | ||
| 398 | K | 81.6 | Confident | 83.3 | Confident | 109 Ų | 109 | 71.8 Ų | 71.8 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | trans | -101.6 | 87.8 | 173.4 | -71.4 | 166.4 | -177.5 | -177.3 | 0 | 108.1 | D396 F400 G408 F409 | D396-K398 PolarHBondContact O-N 3.33Å; K398-F400 PolarHBondContact O-N 2.96Å; K398-F400 VanDerWaalsContact O-N 3.15Å; K398-G408 WeakPolarHBondContact CD-O 3.42Å; K398-F409 CarbonylContact C-O 3.44Å | ||
| 399 | P | 81.8 | Confident | 83.2 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 47% | 0.468 | 39% | 0.388 | S | S | . | . | trans | -71.7 | -13.5 | -170.2 | -12.3 | 30.5 | 0 | 0 | 0 | 112.3 | K397 F409 | K397-P399 VanDerWaalsContact O-CD 3.23Å; K397-P399 WeakPolarHBondContact O-CD 3.37Å; P399-F409 WeakPolarHBondContact CD-O 3.41Å | ||
| 400 | F | 84.6 | Confident | 83.2 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 26% | 0.263 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 101 | -175.9 | -55.9 | -73.6 | 0 | 0 | 0 | 109.4 | F389 K398 G408 F409 N412 L415 | F389-F400 HydrophobicContact CE1-CE2 4.37Å; K398-F400 PolarHBondContact O-N 2.96Å; K398-F400 VanDerWaalsContact O-N 3.15Å; F400-G408 CarbonylContact O-C 3.53Å; F400-F409 HydrophobicContact CB-CB 4.4Å; F400-F409 PolarHBondContact N-O 2.88Å; F400-F409 PolarHBondContact O-N 3.17Å; F400-N412 HydrophobicContact CD1-CB 3.95Å; F400-N412 HydrophobicContact CD2-CB 4.44Å; F400-N412 HydrophobicContact CE1-CB 3.82Å; F400-N412 HydrophobicContact CE2-CB 4.32Å; F400-N412 HydrophobicContact CG-CB 4.26Å; F400-N412 HydrophobicContact CZ-CB 4.01Å; F400-L415 HydrophobicContact CB-CB 4.25Å; F400-L415 HydrophobicContact CB-CD2 3.9Å |
| 401 | T | 87.8 | Confident | 83.1 | Confident | 88 Ų | 88 | 72.9 Ų | 72.9 | 54% | 0.54 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 142.1 | 174.9 | 48.6 | 0 | 0 | 0 | 0 | 110.2 | P403 | T401-P403 WeakPolarHBondContact O-CD 3.32Å |
| 402 | C | 90.5 | Very high | 83.2 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | trans | -72.3 | 122.3 | 170.1 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | T404 C405 G406 K407 F409 L415 H418 H423 | C402-T404 PolarHBondContact O-N 3.38Å; C402-C405 VanDerWaalsContact SG-SG 3.66Å; C402-G406 VanDerWaalsContact O-CA 3.23Å; C402-G406 WeakPolarHBondContact O-CA 3.36Å; C402-G406 PolarHBondContact O-N 3.26Å; C402-K407 PolarHBondContact N-O 3.07Å; C402-F409 HydrophobicContact CB-CE2 4.25Å; C402-L415 VanDerWaalsContact CA-CD1 3.49Å; C402-L415 HydrophobicContact CB-CD1 3.67Å; C402-H418 PolarHBondContact SG-NE2 3.41Å; C402-H418 VanDerWaalsContact SG-NE2 3.39Å; C402-H423 PolarHBondContact SG-CD2 3.46Å | ||
| 403 | P | 85.3 | Confident | 83.4 | Confident | 119 Ų | 119 | 78.4 Ų | 78.4 | 77% | 0.773 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -25.8 | 177.7 | 26.1 | -32.6 | 0 | 0 | 0 | 112.2 | T401 | T401-P403 WeakPolarHBondContact O-CD 3.32Š|
| 404 | T | 85.9 | Confident | 83.7 | Confident | 93 Ų | 93 | 77 Ų | 77 | 57% | 0.571 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -33.7 | -175.9 | -43.3 | 0 | 0 | 0 | 0 | 113.5 | C402 H423 | C402-T404 PolarHBondContact O-N 3.38Å; T404-H423 HydrophobicContact CG2-CB 4.37Å; T404-H423 WeakPolarHBondContact CG2-ND1 3.18Å |
| 405 | C | 89.2 | Confident | 84.1 | Confident | 49 Ų | 49 | 75 Ų | 75 | 33% | 0.331 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131 | 7 | -176.4 | 73.2 | 0 | 0 | 0 | 0 | 114.9 | C402 K407 H418 H423 | C402-C405 VanDerWaalsContact SG-SG 3.66Å; C405-K407 PolarHBondContact O-N 3.45Å; C405-H418 PolarHBondContact SG-CE1 3.19Å; C405-H418 PolarHBondContact SG-NE2 3.07Å; C405-H423 PolarHBondContact SG-NE2 2.87Å; C405-H423 VanDerWaalsContact SG-NE2 3.37Å |
| 406 | G | 83.9 | Confident | 84.5 | Confident | 54 Ų | 54 | 77 Ų | 77 | 56% | 0.557 | 41% | 0.409 | S | S | * | . | trans | 69.6 | -6.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | C402 G408 | C402-G406 VanDerWaalsContact O-CA 3.23Å; C402-G406 WeakPolarHBondContact O-CA 3.36Å; C402-G406 PolarHBondContact O-N 3.26Å; G406-G408 PolarHBondContact O-N 2.75Å | ||
| 407 | K | 86.4 | Confident | 85.3 | Confident | 123 Ų | 123 | 75.7 Ų | 75.7 | 54% | 0.535 | 40% | 0.398 | S | S | . | . | trans | -63.2 | 125.6 | -178 | -70.2 | -178.6 | -177.8 | 179 | 0 | 111.3 | C402 C405 F409 | C402-K407 PolarHBondContact N-O 3.07Å; C405-K407 PolarHBondContact O-N 3.45Å; K407-F409 HydrophobicContact CB-CE2 3.9Å; K407-F409 HydrophobicContact CB-CZ 4.05Å; K407-F409 VanDerWaalsContact O-CD2 3.28Å; K407-F409 WeakPolarHBondContact O-CD2 3.4Å; K407-F409 WeakPolarHBondContact O-CE2 3.15Å | ||
| 408 | G | 86.1 | Confident | 86 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 24% | 0.237 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 142.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K398 F400 G406 | K398-G408 WeakPolarHBondContact CD-O 3.42Å; F400-G408 CarbonylContact O-C 3.53Å; G406-G408 PolarHBondContact O-N 2.75Å |
| 409 | F | 83.6 | Confident | 86.4 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 18% | 0.175 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.5 | 178.6 | -59.8 | -87.2 | 0 | 0 | 0 | 111.2 | K398 P399 F400 C402 K407 D414 L415 H418 | K398-F409 CarbonylContact C-O 3.44Å; P399-F409 WeakPolarHBondContact CD-O 3.41Å; F400-F409 HydrophobicContact CB-CB 4.4Å; F400-F409 PolarHBondContact N-O 2.88Å; F400-F409 PolarHBondContact O-N 3.17Å; C402-F409 HydrophobicContact CB-CE2 4.25Å; K407-F409 HydrophobicContact CB-CE2 3.9Å; K407-F409 HydrophobicContact CB-CZ 4.05Å; K407-F409 VanDerWaalsContact O-CD2 3.28Å; K407-F409 WeakPolarHBondContact O-CD2 3.4Å; K407-F409 WeakPolarHBondContact O-CE2 3.15Å; F409-D414 HydrophobicContact CB-CB 4.4Å; F409-D414 HydrophobicContact CD1-CB 3.93Å; F409-D414 HydrophobicContact CG-CB 4.45Å; F409-L415 HydrophobicContact CB-CB 4.24Å; F409-L415 HydrophobicContact CD2-CB 3.85Å; F409-L415 HydrophobicContact CD2-CD1 3.78Å; F409-L415 HydrophobicContact CD2-CG 4.41Å; F409-L415 HydrophobicContact CE2-CD1 3.91Å; F409-L415 HydrophobicContact CG-CB 4.16Å; F409-H418 HydrophobicContact CE1-CB 3.94Å; F409-H418 HydrophobicContact CE2-CB 4.05Å; F409-H418 AromaticContact CE2-CD2 3.61Å; F409-H418 AromaticContact CE2-CG 3.76Å; F409-H418 HydrophobicContact CZ-CB 3.48Å; F409-H418 VanDerWaalsContact CZ-CB 3.48Å; F409-H418 AromaticContact CZ-CD2 3.63Å; F409-H418 AromaticContact CZ-CG 3.27Å; F409-H418 AromaticContact CZ-ND1 3.61Å |
| 410 | C | 82.1 | Confident | 86.7 | Confident | 26 Ų | 26 | 70.7 Ų | 70.7 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -80.3 | -17.9 | 177.3 | -56.1 | 0 | 0 | 0 | 0 | 113 | F389 H392 | F389-C410 WeakPolarHBondContact CD1-O 3.4Å; H392-C410 HydrophobicContact CB-CB 3.97Å |
| 411 | R | 82.4 | Confident | 86.8 | Confident | 120 Ų | 120 | 75 Ų | 75 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -133 | 139.8 | 179.7 | -57.7 | -180 | -64.9 | -173.2 | 1.6 | 111 | F389 F413 D414 L415 | F389-R411 HydrophobicContact CB-CG 4.26Å; F389-R411 HydrophobicContact CD1-CG 3.9Å; F389-R411 HydrophobicContact CE1-CG 4.45Å; F389-R411 HydrophobicContact CG-CG 4.05Å; R411-F413 VanDerWaalsContact C-N 3.26Å; R411-F413 PolarHBondContact O-N 2.99Å; R411-D414 WeakPolarHBondContact CB-OD2 3.44Å; R411-D414 IonicContact CZ-OD1 3.79Å; R411-D414 IonicContact CZ-OD2 2.71Å; R411-D414 IonicContact NE-OD1 3.22Å; R411-D414 IonicContact NE-OD2 2.95Å; R411-D414 PolarHBondContact NE-OD2 2.91Å; R411-D414 VanDerWaalsContact NH2-CG 3.32Å; R411-D414 IonicContact NH2-OD1 3.21Å; R411-D414 PolarHBondContact NH2-OD1 2.98Å; R411-D414 IonicContact NH2-OD2 3.71Å; R411-D414 PolarHBondContact NH2-OD2 3.49Å; R411-D414 PolarHBondContact O-N 3.42Å; R411-D414 VanDerWaalsContact O-N 3.14Å; R411-L415 PolarHBondContact O-N 3.16Å |
| 412 | N | 85.8 | Confident | 86.7 | Confident | 63 Ų | 63 | 76 Ų | 76 | 34% | 0.337 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 175.9 | -170.5 | -70.4 | 0 | 0 | 0 | 112.5 | F400 D414 L415 K416 | F400-N412 HydrophobicContact CD1-CB 3.95Å; F400-N412 HydrophobicContact CD2-CB 4.44Å; F400-N412 HydrophobicContact CE1-CB 3.82Å; F400-N412 HydrophobicContact CE2-CB 4.32Å; F400-N412 HydrophobicContact CG-CB 4.26Å; F400-N412 HydrophobicContact CZ-CB 4.01Å; N412-D414 VanDerWaalsContact C-N 3.31Å; N412-D414 PolarHBondContact O-N 3.07Å; N412-L415 PolarHBondContact O-N 3Å; N412-K416 PolarHBondContact O-N 2.89Å; N412-K416 VanDerWaalsContact OD1-CD 3.32Å; N412-K416 WeakPolarHBondContact OD1-CD 3.4Å; N412-K416 WeakPolarHBondContact OD1-CE 3.47Å; N412-K416 WeakPolarHBondContact OD1-CG 3.37Å |
| 413 | F | 86.8 | Confident | 86.3 | Confident | 130 Ų | 130 | 78.4 Ų | 78.4 | 57% | 0.57 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 175.8 | 177.9 | -96.1 | 0 | 0 | 0 | 112.4 | R411 K416 K417 | R411-F413 VanDerWaalsContact C-N 3.26Å; R411-F413 PolarHBondContact O-N 2.99Å; F413-K416 PolarHBondContact O-N 3Å; F413-K417 HydrophobicContact CE1-CD 4.47Å; F413-K417 WeakPolarHBondContact O-CB 3.34Å; F413-K417 PolarHBondContact O-N 3.32Å |
| 414 | D | 87.2 | Confident | 85.9 | Confident | 41 Ų | 41 | 76.8 Ų | 76.8 | 22% | 0.219 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69 | -41 | 178.7 | -61.3 | -37 | 0 | 0 | 0 | 110.5 | F409 R411 N412 K417 H418 | F409-D414 HydrophobicContact CB-CB 4.4Å; F409-D414 HydrophobicContact CD1-CB 3.93Å; F409-D414 HydrophobicContact CG-CB 4.45Å; R411-D414 WeakPolarHBondContact CB-OD2 3.44Å; R411-D414 IonicContact CZ-OD1 3.79Å; R411-D414 IonicContact CZ-OD2 2.71Å; R411-D414 IonicContact NE-OD1 3.22Å; R411-D414 IonicContact NE-OD2 2.95Å; R411-D414 PolarHBondContact NE-OD2 2.91Å; R411-D414 VanDerWaalsContact NH2-CG 3.32Å; R411-D414 IonicContact NH2-OD1 3.21Å; R411-D414 PolarHBondContact NH2-OD1 2.98Å; R411-D414 IonicContact NH2-OD2 3.71Å; R411-D414 PolarHBondContact NH2-OD2 3.49Å; R411-D414 PolarHBondContact O-N 3.42Å; R411-D414 VanDerWaalsContact O-N 3.14Å; N412-D414 VanDerWaalsContact C-N 3.31Å; N412-D414 PolarHBondContact O-N 3.07Å; D414-K417 PolarHBondContact O-N 3.42Å; D414-H418 VanDerWaalsContact O-CB 3.3Å; D414-H418 WeakPolarHBondContact O-CB 3.45Å; D414-H418 PolarHBondContact O-N 2.94Å |
| 415 | L | 89.1 | Confident | 84.8 | Confident | 22 Ų | 22 | 75.8 Ų | 75.8 | 12% | 0.115 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -57.8 | -50.9 | 171.2 | 171.2 | 62 | 0 | 0 | 0 | 111.3 | F400 C402 F409 R411 N412 K417 H418 V419 | F400-L415 HydrophobicContact CB-CB 4.25Å; F400-L415 HydrophobicContact CB-CD2 3.9Å; C402-L415 VanDerWaalsContact CA-CD1 3.49Å; C402-L415 HydrophobicContact CB-CD1 3.67Å; F409-L415 HydrophobicContact CB-CB 4.24Å; F409-L415 HydrophobicContact CD2-CB 3.85Å; F409-L415 HydrophobicContact CD2-CD1 3.78Å; F409-L415 HydrophobicContact CD2-CG 4.41Å; F409-L415 HydrophobicContact CE2-CD1 3.91Å; F409-L415 HydrophobicContact CG-CB 4.16Å; R411-L415 PolarHBondContact O-N 3.16Å; N412-L415 PolarHBondContact O-N 3Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 3.41Å; L415-H418 WeakPolarHBondContact O-CB 3.32Å; L415-H418 PolarHBondContact O-N 3.46Å; L415-H418 VanDerWaalsContact O-N 3.11Å; L415-V419 HydrophobicContact CD1-CG2 3.79Å; L415-V419 HydrophobicContact CG-CG2 4.33Å; L415-V419 WeakPolarHBondContact O-CG2 3.37Å; L415-V419 PolarHBondContact O-N 2.93Å |
| 416 | K | 88.2 | Confident | 83.3 | Confident | 126 Ų | 126 | 78 Ų | 78 | 55% | 0.548 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -34.6 | 178.5 | -77.2 | -178.2 | 174.3 | 178.9 | 0 | 112.9 | N412 F413 R420 | N412-K416 PolarHBondContact O-N 2.89Å; N412-K416 VanDerWaalsContact OD1-CD 3.32Å; N412-K416 WeakPolarHBondContact OD1-CD 3.4Å; N412-K416 WeakPolarHBondContact OD1-CE 3.47Å; N412-K416 WeakPolarHBondContact OD1-CG 3.37Å; F413-K416 PolarHBondContact O-N 3Å; K416-R420 VanDerWaalsContact O-CB 3.27Å; K416-R420 WeakPolarHBondContact O-CB 3.35Å; K416-R420 VanDerWaalsContact O-CG 3.29Å; K416-R420 WeakPolarHBondContact O-CG 3.44Å; K416-R420 PolarHBondContact O-N 3.46Å; K416-R420 PolarHBondContact O-NE 3Å |
| 417 | K | 88.8 | Confident | 81.9 | Confident | 94 Ų | 94 | 83.2 Ų | 83.2 | 41% | 0.409 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.4 | -40.3 | 174.4 | -175.9 | -179.1 | 178.3 | -176.3 | 0 | 110.7 | F413 D414 L415 K421 | F413-K417 HydrophobicContact CE1-CD 4.47Å; F413-K417 WeakPolarHBondContact O-CB 3.34Å; F413-K417 PolarHBondContact O-N 3.32Å; D414-K417 PolarHBondContact O-N 3.42Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 3.41Å; K417-K421 HydrophobicContact CG-CD 4.22Å; K417-K421 VanDerWaalsContact O-CB 3.3Å; K417-K421 WeakPolarHBondContact O-CB 3.23Å; K417-K421 VanDerWaalsContact O-CG 3.23Å; K417-K421 WeakPolarHBondContact O-CG 3.39Å; K417-K421 PolarHBondContact O-N 2.72Å; K417-K421 VanDerWaalsContact O-N 3.07Å |
| 418 | H | 89.3 | Confident | 80.1 | Confident | 19 Ų | 19 | 80.6 Ų | 80.6 | 9% | 0.088 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.9 | -50.9 | 175.5 | 162.8 | 82.5 | 0 | 0 | 0 | 111.6 | C402 C405 F409 D414 L415 R420 K421 L422 H423 | C402-H418 PolarHBondContact SG-NE2 3.41Å; C402-H418 VanDerWaalsContact SG-NE2 3.39Å; C405-H418 PolarHBondContact SG-CE1 3.19Å; C405-H418 PolarHBondContact SG-NE2 3.07Å; F409-H418 HydrophobicContact CE1-CB 3.94Å; F409-H418 HydrophobicContact CE2-CB 4.05Å; F409-H418 AromaticContact CE2-CD2 3.61Å; F409-H418 AromaticContact CE2-CG 3.76Å; F409-H418 HydrophobicContact CZ-CB 3.48Å; F409-H418 VanDerWaalsContact CZ-CB 3.48Å; F409-H418 AromaticContact CZ-CD2 3.63Å; F409-H418 AromaticContact CZ-CG 3.27Å; F409-H418 AromaticContact CZ-ND1 3.61Å; D414-H418 VanDerWaalsContact O-CB 3.3Å; D414-H418 WeakPolarHBondContact O-CB 3.45Å; D414-H418 PolarHBondContact O-N 2.94Å; L415-H418 WeakPolarHBondContact O-CB 3.32Å; L415-H418 PolarHBondContact O-N 3.46Å; L415-H418 VanDerWaalsContact O-N 3.11Å; H418-R420 PolarHBondContact O-N 3.39Å; H418-K421 PolarHBondContact O-N 3.12Å; H418-K421 VanDerWaalsContact O-N 3.11Å; H418-L422 WeakPolarHBondContact ND1-CD1 3.48Å; H418-L422 WeakPolarHBondContact O-CB 3.49Å; H418-L422 PolarHBondContact O-N 3.5Å; H418-H423 AromaticContact CD2-CD2 4Å; H418-H423 AromaticContact CE1-NE2 3.71Å; H418-H423 AromaticContact NE2-CD2 3.52Å; H418-H423 AromaticContact NE2-NE2 3.2Å; H418-H423 PolarHBondContact NE2-NE2 3.17Å |
| 419 | V | 88.8 | Confident | 78.1 | Confident | 45 Ų | 45 | 86.2 Ų | 86.2 | 27% | 0.273 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | L415 K421 L422 H423 D424 | L415-V419 HydrophobicContact CD1-CG2 3.79Å; L415-V419 HydrophobicContact CG-CG2 4.33Å; L415-V419 WeakPolarHBondContact O-CG2 3.37Å; L415-V419 PolarHBondContact O-N 2.93Å; V419-K421 PolarHBondContact O-N 3.36Å; V419-L422 PolarHBondContact O-N 2.88Å; V419-H423 HydrophobicContact CG1-CB 4.16Å; V419-H423 CarbonylContact O-C 3.27Å; V419-H423 WeakPolarHBondContact O-CA 3.37Å; V419-H423 WeakPolarHBondContact O-CB 3.47Å; V419-H423 PolarHBondContact O-N 3.35Å; V419-D424 PolarHBondContact O-N 3.29Å |
| 420 | R | 88.5 | Confident | 75.9 | Confident | 147 Ų | 147 | 88.6 Ų | 88.6 | 56% | 0.555 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.1 | -29.9 | 176.5 | -78.8 | -173.2 | -63 | 153.7 | -0.7 | 114.9 | K416 H418 | K416-R420 VanDerWaalsContact O-CB 3.27Å; K416-R420 WeakPolarHBondContact O-CB 3.35Å; K416-R420 VanDerWaalsContact O-CG 3.29Å; K416-R420 WeakPolarHBondContact O-CG 3.44Å; K416-R420 PolarHBondContact O-N 3.46Å; K416-R420 PolarHBondContact O-NE 3Å; H418-R420 PolarHBondContact O-N 3.39Å |
| 421 | K | 86.9 | Confident | 74.1 | Confident | 151 Ų | 151 | 98.4 Ų | 98.4 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -88.9 | -32.9 | -177.2 | -78.1 | -175 | 171 | -147 | 0 | 113.5 | K417 H418 V419 | K417-K421 HydrophobicContact CG-CD 4.22Å; K417-K421 VanDerWaalsContact O-CB 3.3Å; K417-K421 WeakPolarHBondContact O-CB 3.23Å; K417-K421 VanDerWaalsContact O-CG 3.23Å; K417-K421 WeakPolarHBondContact O-CG 3.39Å; K417-K421 PolarHBondContact O-N 2.72Å; K417-K421 VanDerWaalsContact O-N 3.07Å; H418-K421 PolarHBondContact O-N 3.12Å; H418-K421 VanDerWaalsContact O-N 3.11Å; V419-K421 PolarHBondContact O-N 3.36Å |
| 422 | L | 85.1 | Confident | 72.3 | Confident | 110 Ų | 110 | 98.4 Ų | 98.4 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -118.8 | -13.8 | -168.6 | -60.1 | -175.8 | 0 | 0 | 0 | 113.7 | H418 V419 | H418-L422 WeakPolarHBondContact ND1-CD1 3.48Å; H418-L422 WeakPolarHBondContact O-CB 3.49Å; H418-L422 PolarHBondContact O-N 3.5Å; V419-L422 PolarHBondContact O-N 2.88Å |
| 423 | H | 82.4 | Confident | 70.4 | Confident | 51 Ų | 51 | 101.4 Ų | 101.4 | 24% | 0.236 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.9 | -7.1 | -172.2 | -57.4 | -50.8 | 0 | 0 | 0 | 114.5 | C402 T404 C405 H418 V419 S425 | C402-H423 PolarHBondContact SG-CD2 3.46Å; T404-H423 HydrophobicContact CG2-CB 4.37Å; T404-H423 WeakPolarHBondContact CG2-ND1 3.18Å; C405-H423 PolarHBondContact SG-NE2 2.87Å; C405-H423 VanDerWaalsContact SG-NE2 3.37Å; H418-H423 AromaticContact CD2-CD2 4Å; H418-H423 AromaticContact CE1-NE2 3.71Å; H418-H423 AromaticContact NE2-CD2 3.52Å; H418-H423 AromaticContact NE2-NE2 3.2Å; H418-H423 PolarHBondContact NE2-NE2 3.17Å; V419-H423 HydrophobicContact CG1-CB 4.16Å; V419-H423 CarbonylContact O-C 3.27Å; V419-H423 WeakPolarHBondContact O-CA 3.37Å; V419-H423 WeakPolarHBondContact O-CB 3.47Å; V419-H423 PolarHBondContact O-N 3.35Å; H423-S425 PolarHBondContact O-N 2.95Å; H423-S425 VanDerWaalsContact O-N 3.12Å |
| 424 | D | 77.3 | Confident | 68 | Low | 86 Ų | 86 | 100.3 Ų | 100.3 | 46% | 0.46 | 56% | 0.555 | S | S | . | * | trans | -85.2 | 85.6 | 174.9 | -166.3 | -3.4 | 0 | 0 | 0 | 108.5 | V419 S426 | V419-D424 PolarHBondContact O-N 3.29Å; D424-S426 PolarHBondContact O-N 3.36Å; D424-S426 PolarHBondContact OD1-OG 2.88Å | ||
| 425 | S | 62.2 | Low | 65.5 | Low | 72 Ų | 72 | 101.7 Ų | 101.7 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | trans | -87.5 | 29.4 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 112.7 | H423 L427 G428 | H423-S425 PolarHBondContact O-N 2.95Å; H423-S425 VanDerWaalsContact O-N 3.12Å; S425-L427 CarbonylContact O-C 3.5Å; S425-L427 PolarHBondContact O-N 3.47Å; S425-G428 PolarHBondContact O-N 3.49Å; S425-G428 VanDerWaalsContact O-N 3.1Å | ||
| 426 | S | 58 | Low | 63 | Low | 95 Ų | 95 | 109.7 Ų | 109.7 | 66% | 0.664 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 0.3 | 168.9 | 46.6 | 0 | 0 | 0 | 0 | 113.6 | D424 | D424-S426 PolarHBondContact O-N 3.36Å; D424-S426 PolarHBondContact OD1-OG 2.88Å |
| 427 | L | 55.2 | Low | 60.8 | Low | 163 Ų | 163 | 109.3 Ų | 109.3 | 85% | 0.853 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | 73.5 | 157 | -65.8 | 174.7 | 0 | 0 | 0 | 110.3 | S425 L429 | S425-L427 CarbonylContact O-C 3.5Å; S425-L427 PolarHBondContact O-N 3.47Å; L427-L429 VanDerWaalsContact C-N 3.29Å; L427-L429 PolarHBondContact O-N 3.33Å |
| 428 | G | 48.7 | Very low | 58.2 | Low | 69 Ų | 69 | 108.4 Ų | 108.4 | 71% | 0.711 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 54.4 | 15 | 132.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | S425 | S425-G428 PolarHBondContact O-N 3.49Å; S425-G428 VanDerWaalsContact O-N 3.1Å |
| 429 | L | 43.3 | Very low | 55.6 | Low | 141 Ų | 141 | 114.4 Ų | 114.4 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | trans | -140.5 | 101.9 | 168.4 | -72.3 | 175.2 | 0 | 0 | 0 | 110.2 | L427 R431 | L427-L429 VanDerWaalsContact C-N 3.29Å; L427-L429 PolarHBondContact O-N 3.33Å; L429-R431 PolarHBondContact O-N 3.34Å | ||
| 430 | A | 38.5 | Very low | 53 | Low | 89 Ų | 89 | 121.1 Ų | 121.1 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | trans | -58.6 | 106.4 | 161 | 0 | 0 | 0 | 0 | 0 | 108.2 | T432 | A430-T432 PolarHBondContact O-N 3.45Š| ||
| 431 | R | 43.2 | Very low | 50.6 | Low | 233 Ų | 233 | 119.6 Ų | 119.6 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | trans | -87.9 | 95.8 | 159.4 | -77 | -171 | 178.9 | -156.7 | -0.6 | 107.3 | L429 | L429-R431 PolarHBondContact O-N 3.34Š| ||
| 432 | T | 46 | Very low | 48.4 | Very low | 119 Ų | 119 | 118 Ų | 118 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 139.2 | 155.5 | 42.4 | 0 | 0 | 0 | 0 | 108.4 | A430 A434 | A430-T432 PolarHBondContact O-N 3.45Å; T432-A434 PolarHBondContact O-N 3.22Å |
| 433 | P | 44.1 | Very low | 46.3 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 121.1 | 165.6 | -9.1 | 24.9 | 0 | 0 | 0 | 107.6 | G435 | P433-G435 PolarHBondContact O-N 3.21Š|
| 434 | A | 38.1 | Very low | 44.1 | Very low | 106 Ų | 106 | 122 Ų | 122 | 88% | 0.876 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 126.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T432 | T432-A434 PolarHBondContact O-N 3.22Š|
| 435 | G | 34.4 | Very low | 42 | Very low | 70 Ų | 70 | 126.2 Ų | 126.2 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -142 | 86.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | P433 | P433-G435 PolarHBondContact O-N 3.21Š| ||
| 436 | E | 35.2 | Very low | 40.7 | Very low | 191 Ų | 191 | 131.7 Ų | 131.7 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | 43.8 | 154.1 | 147.6 | -63.6 | -150.6 | 147.7 | 0 | 0 | 123.2 | ||||
| 437 | P | 41.9 | Very low | 39.9 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -94.4 | 146.9 | -151.3 | 35.8 | -31.2 | 0 | 0 | 0 | 115.1 | ||||
| 438 | G | 35.2 | Very low | 38.9 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | 55 | 99.1 | 141.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 439 | T | 34.4 | Very low | 38.3 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -143.6 | 124 | 142.8 | 12.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 440 | E | 35 | Very low | 38.1 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 152 | -179.3 | -78.6 | -161.6 | 121.9 | 0 | 0 | 112.7 | ||
| 441 | P | 38.1 | Very low | 38.1 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 136.5 | 173.6 | 30 | -32 | 0 | 0 | 0 | 110.7 | ||
| 442 | P | 39.7 | Very low | 37.7 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 150.7 | 174.5 | 30.4 | -32.5 | 0 | 0 | 0 | 111.1 | ||
| 443 | P | 40.7 | Very low | 37.4 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 162.8 | -179.2 | 30.4 | -33.5 | 0 | 0 | 0 | 112.4 | ||
| 444 | P | 35.9 | Very low | 37.3 | Very low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 137.6 | -168 | 21.2 | -20.4 | 0 | 0 | 0 | 113 | Q446 | P444-Q446 PolarHBondContact O-N 2.97Š|
| 445 | L | 34.8 | Very low | 37.7 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -64.7 | 114.6 | -179.2 | -70.9 | 162.9 | 0 | 0 | 0 | 111.8 | ||||
| 446 | Q | 33.7 | Very low | 38 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | trans | -75.8 | 133.7 | 159.4 | -81.4 | -178.4 | -15.2 | 0 | 0 | 109.7 | P444 | P444-Q446 PolarHBondContact O-N 2.97Š| ||
| 447 | Q | 41.9 | Very low | 38.1 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -72.6 | 135.1 | 177.6 | -63 | 172.7 | 21.5 | 0 | 0 | 110.8 | ||||
| 448 | Q | 33.5 | Very low | 38 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | trans | -141 | 156.1 | 162.9 | -81.3 | -156.8 | -4.4 | 0 | 0 | 111.3 | ||||
| 449 | P | 37.5 | Very low | 38.5 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 70% | 0.695 | 83% | 0.834 | S | S | * | * | trans | -95.8 | 179.9 | -144.3 | 41.2 | -37.2 | 0 | 0 | 0 | 113.8 | ||||
| 450 | P | 39 | Very low | 38.8 | Very low | 129 Ų | 129 | 146 Ų | 146 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -83 | 146.3 | -157.6 | 34.6 | -31.9 | 0 | 0 | 0 | 112.8 | ||
| 451 | V | 36.7 | Very low | 39.3 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 86% | 0.861 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -103 | 127.3 | 177.7 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 452 | T | 35.6 | Very low | 39.3 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 146 | 176.8 | 28.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 453 | L | 40.8 | Very low | 39.8 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 155.7 | 173.6 | -70.2 | 166.9 | 0 | 0 | 0 | 113.3 | ||
| 454 | P | 41.5 | Very low | 39.6 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -129.9 | 172.2 | 150 | 30.4 | -11.4 | 0 | 0 | 0 | 114.6 | ||||
| 455 | P | 45.8 | Very low | 40.2 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -112.1 | 179.7 | -140.4 | 41.8 | -34.9 | 0 | 0 | 0 | 118.5 | ||||
| 456 | L | 40.8 | Very low | 40.2 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -60.1 | 151 | -176.9 | -76 | 146.1 | 0 | 0 | 0 | 118.4 | ||||
| 457 | Q | 38.3 | Very low | 40.6 | Very low | 199 Ų | 199 | 139.1 Ų | 139.1 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | 176.2 | 161.2 | 114.8 | -94.6 | 177.5 | 2.5 | 0 | 0 | 115.6 | |||||
| 458 | A | 38.1 | Very low | 41 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | -91.5 | -161.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 459 | P | 47.3 | Very low | 41.1 | Very low | 128 Ų | 128 | 130 Ų | 130 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | cis | -144.6 | -176.6 | 20.6 | 39.4 | -14.6 | 0 | 0 | 0 | 119.1 | ||||
| 460 | L | 40.7 | Very low | 41.1 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -65.5 | 170.8 | 179.7 | -89.4 | 138.1 | 0 | 0 | 0 | 117.3 | ||||
| 461 | P | 45.8 | Very low | 41 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | -139.5 | 154.5 | 120.1 | 36.1 | -21.2 | 0 | 0 | 0 | 116.8 | |||||
| 462 | T | 38.3 | Very low | 41.2 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -100.3 | -167.9 | 170.8 | 50.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 463 | P | 48.3 | Very low | 41.3 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | cis | -143.5 | 163.1 | -0 | 36.9 | -15 | 0 | 0 | 0 | 119.2 | ||||
| 464 | G | 37.3 | Very low | 41.4 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 58.7 | 177.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 465 | P | 49.1 | Very low | 41.7 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | cis | -144 | 168.2 | -13.1 | 44.5 | -26.1 | 0 | 0 | 0 | 117.6 | ||||
| 466 | L | 35.3 | Very low | 41.5 | Very low | 155 Ų | 155 | 138 Ų | 138 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | 57.9 | 146.2 | 145.6 | -60.9 | 159.2 | 0 | 0 | 0 | 121.2 | ||||
| 467 | Q | 41.7 | Very low | 41.5 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | cis | -160.7 | -144.7 | -16.1 | -74.5 | -147.9 | -34.1 | 0 | 0 | 108.9 | ||||
| 468 | P | 49.2 | Very low | 41.7 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -124.7 | 177.3 | -132.8 | 33.6 | -6.5 | 0 | 0 | 0 | 115.5 | ||||
| 469 | G | 36.6 | Very low | 41.9 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 172.8 | 110.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 470 | L | 36.8 | Very low | 41.5 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | 59.7 | 120.7 | 81 | -82 | 168.4 | 0 | 0 | 0 | 116 | |||||
| 471 | H | 37.3 | Very low | 41.6 | Very low | 152 Ų | 152 | 135 Ų | 135 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | trans | 69.6 | 146.2 | 151.5 | -77 | 46.7 | 0 | 0 | 0 | 116.4 | ||||
| 472 | Q | 40.5 | Very low | 41.3 | Very low | 164 Ų | 164 | 135.7 Ų | 135.7 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | cis | -159 | 145.5 | 8.8 | -106.7 | 160.1 | 4.2 | 0 | 0 | 104.1 | ||||
| 473 | G | 38.4 | Very low | 41.5 | Very low | 63 Ų | 63 | 136.8 Ų | 136.8 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | 60.5 | 100.4 | 86.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 474 | H | 42.5 | Very low | 41 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -160.7 | 115 | 151.8 | -105.5 | -77.3 | 0 | 0 | 0 | 112.1 | ||||
| 475 | Q | 46.8 | Very low | 41.3 | Very low | 254 Ų | 254 | 144 Ų | 144 | 100% | 1.187 | 79% | 0.793 | S | S | * | * | trans | 66.2 | 0 | 152.1 | -62.3 | -173.2 | 11.9 | 0 | 0 | 121.2 |
Retrieved 475 of 475 residues in 2127.7 ms
(Link to these results)