| 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 | 37 | Very low | 29.7 | Very low | 243 Ų | 243 | 154.9 Ų | 154.9 | 100% | 1.197 | 78% | 0.781 | S | S | * | * | 0 | 129.3 | 0 | -76.3 | 160.6 | 158.9 | 0 | 0 | 106.9 | |||||
| 2 | E | 27.2 | Very low | 29.3 | Very low | 196 Ų | 196 | 158.3 Ų | 158.3 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | trans | -137.7 | 131.4 | 169.1 | -77.5 | -175.3 | 99.4 | 0 | 0 | 108.4 | S4 | E2-S4 PolarHBondContact O-N 3.48Š| ||
| 3 | E | 28 | Very low | 29.4 | Very low | 165 Ų | 165 | 161.2 Ų | 161.2 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | trans | -87.7 | 97.6 | -171.1 | -64.2 | -172.5 | 100.6 | 0 | 0 | 110.6 | H5 | E3-H5 PolarHBondContact O-CD2 3.27Å; E3-H5 PolarHBondContact O-N 3.2Å | ||
| 4 | S | 28.3 | Very low | 29.2 | Very low | 109 Ų | 109 | 157.3 Ų | 157.3 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -70.4 | 82 | 171.5 | 68.6 | 0 | 0 | 0 | 0 | 110.2 | E2 F6 | E2-S4 PolarHBondContact O-N 3.48Å; S4-F6 PolarHBondContact O-N 3.08Å | ||
| 5 | H | 31.5 | Very low | 29.1 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -63.2 | 77.5 | 174 | -79.9 | -93.1 | 0 | 0 | 0 | 111.2 | E3 | E3-H5 PolarHBondContact O-CD2 3.27Å; E3-H5 PolarHBondContact O-N 3.2Å | ||
| 6 | F | 26.4 | Very low | 29.1 | Very low | 178 Ų | 178 | 153.8 Ų | 153.8 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | -90.5 | 105.3 | 169.2 | -152.2 | -87.6 | 0 | 0 | 0 | 109.7 | S4 S8 | S4-F6 PolarHBondContact O-N 3.08Å; F6-S8 PolarHBondContact O-N 3.44Å; F6-S8 VanDerWaalsContact O-N 3.1Å; F6-S8 PolarHBondContact O-OG 3.39Å | ||
| 7 | N | 25.8 | Very low | 29.1 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 67% | 0.674 | 77% | 0.773 | S | S | * | * | trans | -49.5 | 117.7 | -179.5 | -172.2 | -16.3 | 0 | 0 | 0 | 110.1 | N9 | N7-N9 WeakPolarHBondContact OD1-CB 3.47Å; N7-N9 PolarHBondContact OD1-N 3.09Å; N7-N9 VanDerWaalsContact OD1-N 3.12Å | ||
| 8 | S | 29.6 | Very low | 29.3 | Very low | 87 Ų | 87 | 150.3 Ų | 150.3 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | trans | -113.6 | 24.9 | -173 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | F6 | F6-S8 PolarHBondContact O-N 3.44Å; F6-S8 VanDerWaalsContact O-N 3.1Å; F6-S8 PolarHBondContact O-OG 3.39Å | ||
| 9 | N | 26.6 | Very low | 29.2 | Very low | 130 Ų | 130 | 149.3 Ų | 149.3 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | trans | -66.1 | 124.2 | -177.3 | -147.8 | 13.7 | 0 | 0 | 0 | 110.3 | N7 | N7-N9 WeakPolarHBondContact OD1-CB 3.47Å; N7-N9 PolarHBondContact OD1-N 3.09Å; N7-N9 VanDerWaalsContact OD1-N 3.12Å | ||
| 10 | P | 35.4 | Very low | 29.4 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 57% | 0.565 | 78% | 0.78 | S | S | * | * | trans | -67.2 | 142.8 | 173.3 | 29.1 | -34.5 | 0 | 0 | 0 | 109.9 | F12 | P10-F12 PolarHBondContact O-N 3.43Š| ||
| 11 | Y | 30.7 | Very low | 29.4 | Very low | 220 Ų | 220 | 144.1 Ų | 144.1 | 86% | 0.863 | 78% | 0.777 | S | S | * | * | trans | -64.3 | 96.6 | 176.1 | -72 | -85.6 | 0 | 0 | 0 | 110.8 | ||||
| 12 | F | 25.6 | Very low | 29.4 | Very low | 196 Ų | 196 | 142 Ų | 142 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 124.3 | 164.5 | -157.4 | -91.4 | 0 | 0 | 0 | 107.8 | P10 | P10-F12 PolarHBondContact O-N 3.43Š|
| 13 | W | 30 | Very low | 29.8 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 120.4 | 176.8 | -72.8 | 65.6 | 0 | 0 | 0 | 108.2 | ||
| 14 | P | 27.1 | Very low | 30 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.2 | 161.8 | -15.4 | 30.3 | 0 | 0 | 0 | 109.2 | I16 | P14-I16 PolarHBondContact O-N 2.94Š|
| 15 | S | 26.8 | Very low | 30.2 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 132.4 | 173.4 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 16 | I | 29.6 | Very low | 30.6 | Very low | 139 Ų | 139 | 141 Ų | 141 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 128.2 | 171.2 | -58.6 | 174.1 | 0 | 0 | 0 | 107.2 | P14 T18 | P14-I16 PolarHBondContact O-N 2.94Å; I16-T18 PolarHBondContact O-N 3.23Å |
| 17 | P | 28.9 | Very low | 31.2 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 126.8 | 173.1 | 28 | -33.1 | 0 | 0 | 0 | 109.9 | V19 | P17-V19 PolarHBondContact O-N 3.43Š|
| 18 | T | 32.4 | Very low | 31.6 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 120.7 | 179.9 | -46.6 | 0 | 0 | 0 | 0 | 110.7 | I16 | I16-T18 PolarHBondContact O-N 3.23Š|
| 19 | V | 28.4 | Very low | 32.1 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | -120.4 | 115.4 | 167 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | P17 | P17-V19 PolarHBondContact O-N 3.43Š| ||
| 20 | S | 33.2 | Very low | 32.4 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -71.2 | 129.3 | 172 | -65.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 21 | G | 29.2 | Very low | 32.4 | Very low | 71 Ų | 71 | 154.8 Ų | 154.8 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | -174.4 | 119.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 22 | Q | 35.8 | Very low | 32.6 | Very low | 199 Ų | 199 | 153.4 Ų | 153.4 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -75.7 | 127 | 174.9 | -66.9 | 170.3 | -90.3 | 0 | 0 | 109.6 | ||||
| 23 | I | 35.8 | Very low | 33.1 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -134.8 | 129.1 | 161.5 | -57.7 | -178.1 | 0 | 0 | 0 | 107.3 | ||||
| 24 | E | 33.5 | Very low | 33.1 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | trans | -79.4 | 147.4 | -168.9 | -58.9 | -179.9 | 124 | 0 | 0 | 112.5 | ||||
| 25 | N | 31.1 | Very low | 33.5 | Very low | 159 Ų | 159 | 155.8 Ų | 155.8 | 85% | 0.85 | 83% | 0.831 | S | S | * | * | trans | -108.8 | 44.8 | -169.5 | -135.1 | -33.1 | 0 | 0 | 0 | 112.5 | M27 | N25-M27 PolarHBondContact O-N 2.98Š| ||
| 26 | T | 41 | Very low | 33.7 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | trans | -94.8 | 33.4 | -166.3 | 43.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 27 | M | 37.9 | Very low | 33.7 | Very low | 185 Ų | 185 | 159 Ų | 159 | 91% | 0.911 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -136.3 | 27.7 | -175 | -118 | -173.1 | -163.4 | 0 | 0 | 117 | N25 | N25-M27 PolarHBondContact O-N 2.98Š|
| 28 | F | 35.4 | Very low | 34.4 | Very low | 197 Ų | 197 | 158.8 Ų | 158.8 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -132.9 | 10.5 | -180 | -141.3 | -97.8 | 0 | 0 | 0 | 117.5 | ||
| 29 | I | 39.5 | Very low | 34.3 | Very low | 154 Ų | 154 | 159.9 Ų | 159.9 | 79% | 0.79 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -103.1 | -34.9 | 179.9 | -64.1 | -62.8 | 0 | 0 | 0 | 113.2 | K31 | I29-K31 PolarHBondContact O-N 3.32Å; I29-K31 VanDerWaalsContact O-N 3.13Å |
| 30 | N | 33.6 | Very low | 34.4 | Very low | 164 Ų | 164 | 163 Ų | 163 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -92.5 | 54.4 | -170.1 | -67 | -10 | 0 | 0 | 0 | 114 | ||
| 31 | K | 36.1 | Very low | 34.1 | Very low | 198 Ų | 198 | 160.9 Ų | 160.9 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -147.2 | 40.8 | 171.5 | -153.3 | 166.2 | -177.5 | 167.5 | 0 | 115.8 | I29 | I29-K31 PolarHBondContact O-N 3.32Å; I29-K31 VanDerWaalsContact O-N 3.13Å |
| 32 | M | 33.7 | Very low | 34 | Very low | 190 Ų | 190 | 164.4 Ų | 164.4 | 94% | 0.936 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -140.1 | 38.8 | 164 | -71.1 | -154.4 | -55.1 | 0 | 0 | 112.9 | ||
| 33 | K | 35.5 | Very low | 33.5 | Very low | 193 Ų | 193 | 158.8 Ų | 158.8 | 84% | 0.839 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -146.6 | 63.4 | 173.1 | -164.5 | -167.2 | 174.3 | -172.3 | 0 | 111.9 | ||
| 34 | D | 31.5 | Very low | 33.1 | Very low | 162 Ų | 162 | 159.3 Ų | 159.3 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | -170.1 | 93 | 157.5 | -97 | -33.9 | 0 | 0 | 0 | 110.6 | ||||
| 35 | Q | 34.2 | Very low | 32.7 | Very low | 193 Ų | 193 | 155.9 Ų | 155.9 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | trans | -162.7 | 73.2 | 158.1 | -78.4 | -150.2 | 6.9 | 0 | 0 | 110 | ||||
| 36 | L | 30.7 | Very low | 33.2 | Very low | 165 Ų | 165 | 153.9 Ų | 153.9 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -145.8 | 66.2 | 169 | -77.8 | -177.3 | 0 | 0 | 0 | 112.8 | ||||
| 37 | L | 30.2 | Very low | 33.2 | Very low | 161 Ų | 161 | 153 Ų | 153 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | trans | 61.6 | 165.5 | 148.7 | -60.3 | 166.9 | 0 | 0 | 0 | 118.9 | ||||
| 38 | P | 42.9 | Very low | 32.7 | Very low | 104 Ų | 104 | 152.9 Ų | 152.9 | 68% | 0.675 | 83% | 0.832 | S | S | * | * | cis | -136.7 | 162 | -48.7 | 39.1 | -24.7 | 0 | 0 | 0 | 114.6 | ||||
| 39 | E | 32.1 | Very low | 32.4 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 74% | 0.743 | 83% | 0.831 | S | S | * | * | trans | 58.3 | 136.4 | 143.2 | -82.1 | -67.3 | 104 | 0 | 0 | 124.2 | ||||
| 40 | K | 30.4 | Very low | 32.6 | Very low | 196 Ų | 196 | 152 Ų | 152 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | trans | 75.8 | 138.9 | 158.1 | -63.8 | 171 | -175.9 | 178.2 | 0 | 120.9 | ||||
| 41 | G | 26.9 | Very low | 32.5 | Very low | 76 Ų | 76 | 149.1 Ų | 149.1 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 144.1 | 121.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 42 | C | 25.8 | Very low | 32.2 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 97% | 0.973 | 82% | 0.815 | S | S | * | * | trans | -113.9 | 145.2 | 174.5 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 43 | G | 25.2 | Very low | 31.9 | Very low | 81 Ų | 81 | 144.5 Ų | 144.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -177.4 | 116.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 44 | L | 27.1 | Very low | 31.5 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -54.3 | 146.2 | -179.2 | -61.3 | 159.8 | 0 | 0 | 0 | 118 | ||||
| 45 | A | 25.2 | Very low | 31.2 | Very low | 93 Ų | 93 | 138.6 Ų | 138.6 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 60.9 | 147.2 | 137.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 46 | P | 42.3 | Very low | 32.2 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -92.7 | 179.2 | 176.3 | 41.2 | -38.1 | 0 | 0 | 0 | 113 | ||||
| 47 | P | 41.8 | Very low | 32 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | -158.6 | 178 | 100.7 | 43.8 | -25.8 | 0 | 0 | 0 | 118.7 | |||||
| 48 | H | 26.2 | Very low | 32.3 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | 74.8 | 130.1 | 151.9 | -64.7 | -52.7 | 0 | 0 | 0 | 124.7 | ||||
| 49 | Y | 29 | Very low | 31.5 | Very low | 211 Ų | 211 | 130.1 Ų | 130.1 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -85.4 | 161.3 | 156.4 | -104.6 | -98.7 | 0 | 0 | 0 | 109.9 | ||||
| 50 | P | 45.1 | Very low | 31.4 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | -145.1 | -169.6 | 71.6 | 24 | 1.6 | 0 | 0 | 0 | 114.8 | |||||
| 51 | T | 31.1 | Very low | 31.3 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | cis | 179.1 | 175.6 | -36.6 | -71.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 52 | L | 30.3 | Very low | 32.4 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 86.7 | 159.8 | 174.3 | -50.2 | 178.1 | 0 | 0 | 0 | 114.4 | ||||
| 53 | L | 26.2 | Very low | 32.7 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | cis | -174.2 | 166.2 | -18.6 | -96.9 | 172.6 | 0 | 0 | 0 | 105.3 | ||||
| 54 | T | 27.2 | Very low | 32.9 | Very low | 107 Ų | 107 | 125 Ų | 125 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | cis | -165.6 | 143.4 | -20.6 | -117.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 55 | V | 25.8 | Very low | 33.1 | Very low | 124 Ų | 124 | 125 Ų | 125 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | cis | 81.9 | 143.5 | 45.1 | 175.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 56 | P | 54.8 | Low | 33.1 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | cis | -132.8 | -177.3 | -15.4 | 41 | -24.2 | 0 | 0 | 0 | 116 | ||||
| 57 | A | 27.3 | Very low | 32.6 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | -169.9 | 107.5 | 130.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 58 | S | 34.9 | Very low | 31.8 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | 59.1 | 112.2 | 76.3 | 70.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 59 | V | 27.7 | Very low | 32.1 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | -178.8 | 149.2 | 84.9 | 146.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 60 | S | 28.7 | Very low | 32 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | cis | -160 | -133.4 | -17.1 | -80.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 61 | L | 29.4 | Very low | 31.3 | Very low | 156 Ų | 156 | 123.6 Ų | 123.6 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -156.1 | -170.3 | -168.6 | -104.5 | 173.8 | 0 | 0 | 0 | 110 | ||||
| 62 | P | 48.8 | Very low | 31.2 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -117.6 | -166.5 | 16.4 | 39.9 | -20.6 | 0 | 0 | 0 | 113.8 | ||||
| 63 | S | 32.7 | Very low | 31.1 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | cis | -135.4 | -156.4 | 12.2 | -48.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 64 | G | 29.2 | Very low | 31.2 | Very low | 68 Ų | 68 | 124.2 Ų | 124.2 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | 107.7 | 139.7 | 13.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 65 | I | 31.1 | Very low | 31.2 | Very low | 176 Ų | 176 | 127 Ų | 127 | 90% | 0.903 | 75% | 0.753 | S | S | * | * | cis | -145.7 | 171.6 | 7.5 | 43.9 | 171 | 0 | 0 | 0 | 112.6 | ||||
| 66 | S | 26.3 | Very low | 31.2 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | -32.5 | 143.8 | 179.2 | -81 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 67 | M | 31.1 | Very low | 29.9 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | 61.2 | 132.7 | 93.7 | -56.8 | -174.5 | 162.9 | 0 | 0 | 114.6 | |||||
| 68 | D | 25.6 | Very low | 30.9 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | -164.7 | -161.6 | 72.4 | -118.6 | -67.5 | 0 | 0 | 0 | 115.4 | |||||
| 69 | T | 31.2 | Very low | 30.5 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | -105.6 | 179.6 | -164.8 | 56.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 70 | E | 26.8 | Very low | 30.7 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | 72.4 | 171.9 | 163.8 | -65.5 | -138.3 | 75.3 | 0 | 0 | 118.3 | ||||
| 71 | S | 31 | Very low | 30.7 | Very low | 87 Ų | 87 | 135 Ų | 135 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | cis | -164.2 | 128.6 | -45.4 | -89.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 72 | K | 29.4 | Very low | 30.8 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | trans | 61.1 | 138.4 | 145.8 | -176.7 | 177.5 | 174.3 | -167.5 | 0 | 122.6 | ||||
| 73 | S | 27.4 | Very low | 29.8 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 56% | 0.559 | 75% | 0.754 | S | S | * | * | trans | 84.2 | 112.8 | 150.8 | -83.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 74 | D | 28.9 | Very low | 29.5 | Very low | 134 Ų | 134 | 132.3 Ų | 132.3 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | 75.3 | 134.4 | 119.1 | -64.6 | -64.8 | 0 | 0 | 0 | 125.6 | |||||
| 75 | Q | 26.8 | Very low | 29.4 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 75% | 0.749 | S | S | * | * | trans | 95.2 | 140 | 142.6 | -133.9 | 78 | 70.9 | 0 | 0 | 121.9 | ||||
| 76 | L | 26 | Very low | 29.4 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | 82.8 | 95.1 | 161.2 | -55.7 | -175.4 | 0 | 0 | 0 | 121.2 | ||||
| 77 | T | 27.8 | Very low | 29.6 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -65.9 | -178.4 | 148.5 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 78 | P | 48.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | cis | -134.1 | -174 | -39.3 | 36.3 | -19.5 | 0 | 0 | 0 | 112 | ||||
| 79 | H | 27.2 | Very low | 29.3 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | trans | -153 | 144.4 | 146.5 | -116.5 | -81.2 | 0 | 0 | 0 | 114 | ||||
| 80 | S | 30.7 | Very low | 29.1 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | 5.1 | 144.6 | 155.9 | 40.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 81 | Q | 29.3 | Very low | 29.1 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 84% | 0.841 | 74% | 0.744 | S | S | * | * | cis | -153.7 | 137.1 | 20.1 | -118.7 | 163.6 | -10.4 | 0 | 0 | 108.8 | ||||
| 82 | A | 30.6 | Very low | 29.3 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 69% | 0.694 | 75% | 0.753 | S | S | * | * | 72.6 | 149.1 | 92.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 83 | S | 27.9 | Very low | 29.3 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | cis | -179.4 | 171.9 | -6.6 | -101.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 84 | V | 26.8 | Very low | 29.7 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | cis | -154.3 | 167.9 | -2.9 | 103.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 85 | T | 27.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 61% | 0.613 | 76% | 0.762 | S | S | * | * | trans | -104.6 | 156.6 | 173.4 | 58 | 0 | 0 | 0 | 0 | 113.6 | N87 | T85-N87 WeakPolarHBondContact CB-OD1 3.38Å; T85-N87 PolarHBondContact O-OD1 3.35Å; T85-N87 PolarHBondContact OG1-OD1 3.03Å | ||
| 86 | Q | 32.2 | Very low | 29.9 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -129.8 | 118.3 | 149.7 | -63.9 | -175.2 | 1.9 | 0 | 0 | 106.5 | ||||
| 87 | N | 28.8 | Very low | 29.9 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | cis | 79.1 | 96.6 | 40.3 | -55.6 | 31.5 | 0 | 0 | 0 | 112.2 | T85 | T85-N87 WeakPolarHBondContact CB-OD1 3.38Å; T85-N87 PolarHBondContact O-OD1 3.35Å; T85-N87 PolarHBondContact OG1-OD1 3.03Å | ||
| 88 | I | 26.6 | Very low | 30 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -124.8 | 130.6 | 161.8 | -65 | 179.9 | 0 | 0 | 0 | 107.8 | ||||
| 89 | T | 24.6 | Very low | 29.1 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | trans | -108.8 | 146.6 | -178.3 | -48 | 0 | 0 | 0 | 0 | 109.5 | V91 | T89-V91 HydrophobicContact CG2-CG2 4.2Š| ||
| 90 | V | 27.2 | Very low | 29.1 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -126 | 131.2 | 168 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 91 | V | 26.1 | Very low | 28.9 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | trans | -121.4 | 139.3 | -176.2 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | T89 | T89-V91 HydrophobicContact CG2-CG2 4.2Š| ||
| 92 | P | 35.9 | Very low | 28.7 | Very low | 123 Ų | 123 | 124 Ų | 124 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -80.2 | 146.1 | -178.6 | 32.1 | -35.7 | 0 | 0 | 0 | 113.2 | ||||
| 93 | V | 28.2 | Very low | 28.6 | Very low | 134 Ų | 134 | 127 Ų | 127 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -141.2 | 141.3 | 172.9 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 94 | P | 35.5 | Very low | 28.6 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | trans | -109.2 | 161.9 | -166.4 | 40.7 | -36.4 | 0 | 0 | 0 | 117.2 | ||||
| 95 | S | 28.8 | Very low | 28.5 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 59.7 | 111.8 | 144.4 | -62.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 96 | T | 32.2 | Very low | 28.6 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 95% | 0.945 | 79% | 0.788 | S | S | * | * | -173.4 | 153.9 | 124 | 19.2 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 97 | G | 26.4 | Very low | 28.4 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | cis | 144.3 | 82.3 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 98 | L | 28.4 | Very low | 28.3 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -147.5 | 144.8 | 169.9 | -112.3 | 170.2 | 0 | 0 | 0 | 111.7 | ||||
| 99 | M | 29.6 | Very low | 28.2 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -92.9 | 173.8 | -170.3 | -46.2 | -62.9 | 178.9 | 0 | 0 | 111.2 | ||||
| 100 | T | 27.8 | Very low | 28.2 | Very low | 130 Ų | 130 | 136.3 Ų | 136.3 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | -175.1 | 138.5 | 74.4 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 101 | A | 26.4 | Very low | 28.2 | Very low | 98 Ų | 98 | 139.7 Ų | 139.7 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 59.3 | 145.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 102 | G | 25.4 | Very low | 28.2 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | cis | 106.4 | 130.6 | 20.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 103 | V | 29 | Very low | 27.7 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | cis | -138.7 | 154.7 | 31.5 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 104 | S | 27.5 | Very low | 27.8 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -106.2 | 146.1 | 169.4 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 105 | C | 25.2 | Very low | 27.5 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -145.6 | 135.9 | 166.2 | -165.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 106 | S | 28.8 | Very low | 27.5 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -128.6 | 129.5 | -178.9 | -72.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 107 | Q | 27.7 | Very low | 27.5 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -176.2 | 129 | 163 | -100 | 146.3 | 101.2 | 0 | 0 | 106.6 | ||||
| 108 | R | 27.2 | Very low | 27.5 | Very low | 208 Ų | 208 | 146.5 Ų | 146.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | cis | 102.7 | 100.2 | 10.5 | -144.5 | -154.3 | -176.7 | -157 | 2 | 114.8 | ||||
| 109 | W | 23.6 | Very low | 28.4 | Very low | 201 Ų | 201 | 145 Ų | 145 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | 73.5 | 155.4 | 177.9 | -51.7 | 90.4 | 0 | 0 | 0 | 115.7 | ||||
| 110 | R | 24.5 | Very low | 28.3 | Very low | 222 Ų | 222 | 140.2 Ų | 140.2 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | cis | -146.8 | 150.8 | 10 | -160.7 | -156.5 | -71.8 | -150.6 | -0.1 | 113.4 | ||||
| 111 | R | 28.6 | Very low | 28.4 | Very low | 210 Ų | 210 | 142.1 Ų | 142.1 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -9 | 155.8 | 159.5 | -152.5 | -171.7 | -72.9 | -167.4 | -4.2 | 122.1 | ||||
| 112 | E | 26.1 | Very low | 28.4 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | 81.5 | 146 | 168 | -51.8 | -163.1 | 115.3 | 0 | 0 | 116.3 | ||||
| 113 | G | 25 | Very low | 28.5 | Very low | 69 Ų | 69 | 146 Ų | 146 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | cis | -176.8 | 164.3 | -6.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 114 | S | 29.8 | Very low | 28.5 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 41.2 | 128.2 | 155.7 | -63.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 115 | Q | 30.4 | Very low | 28.7 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 70.9 | 109.7 | 138.5 | -66.5 | -173.2 | 22.5 | 0 | 0 | 123.8 | ||||
| 116 | S | 28.6 | Very low | 29.6 | Very low | 96 Ų | 96 | 145.7 Ų | 145.7 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | 92.5 | 147 | 117 | 85.7 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 117 | R | 31 | Very low | 30.1 | Very low | 243 Ų | 243 | 147.2 Ų | 147.2 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | 65.9 | 141.8 | 159.6 | -60.8 | -177.9 | -174.3 | -143.3 | 0.4 | 120.1 | ||||
| 118 | G | 27.3 | Very low | 30.1 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -88.3 | -156.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 119 | P | 47.4 | Very low | 30.2 | Very low | 138 Ų | 138 | 138 Ų | 138 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | cis | -125.5 | -167.6 | 26.5 | 39 | -21 | 0 | 0 | 0 | 112.8 | ||||
| 120 | G | 26.9 | Very low | 30.4 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | cis | 156.8 | -169 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 121 | L | 30.1 | Very low | 30.6 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | 72 | 150.9 | 170.6 | -51.1 | 168 | 0 | 0 | 0 | 115.4 | ||||
| 122 | V | 27.3 | Very low | 30.5 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 66% | 0.655 | 79% | 0.794 | S | S | * | * | cis | -154.6 | 141.8 | -2 | 106.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 123 | I | 27.3 | Very low | 30.6 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 72% | 0.723 | 79% | 0.792 | S | S | * | * | trans | 24 | 134.1 | 134.7 | -47.1 | 172.9 | 0 | 0 | 0 | 117.9 | ||||
| 124 | T | 28 | Very low | 30.7 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | -165.4 | 168.1 | 56.7 | -24.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 125 | S | 32.8 | Very low | 30.5 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -114.6 | 165.2 | 153 | -51.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 126 | P | 44.3 | Very low | 30.5 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | -148.2 | -178.9 | 105.9 | 38.6 | -22 | 0 | 0 | 0 | 115.2 | |||||
| 127 | S | 38.5 | Very low | 30.5 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -93.3 | 165.7 | -173.7 | -46.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 128 | G | 27.4 | Very low | 30.5 | Very low | 80 Ų | 80 | 120.7 Ų | 120.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -156 | 150.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 129 | S | 29 | Very low | 30.5 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -148.8 | 143.3 | -174.9 | -174 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 130 | L | 27.9 | Very low | 29.6 | Very low | 176 Ų | 176 | 126 Ų | 126 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -150 | 165.5 | 169.9 | -93.6 | -179.6 | 0 | 0 | 0 | 111.3 | ||||
| 131 | V | 29.1 | Very low | 30.6 | Very low | 116 Ų | 116 | 128 Ų | 128 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | -138.3 | 155.9 | -166.4 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 132 | T | 27.3 | Very low | 30.5 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 66.1 | 160.7 | 177.6 | 22.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 133 | T | 27.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 127.8 Ų | 127.8 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | cis | -126.1 | -173.6 | 15 | 49.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 134 | A | 27.8 | Very low | 30.6 | Very low | 89 Ų | 89 | 125 Ų | 125 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -102.6 | 156.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 135 | S | 25.6 | Very low | 31.3 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | trans | -172.8 | 162.7 | 132.7 | -90.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 136 | S | 29.2 | Very low | 31 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -47.5 | 147.6 | -176.4 | 53.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 137 | A | 28.3 | Very low | 30.4 | Very low | 88 Ų | 88 | 130 Ų | 130 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 61.9 | 126.7 | 133.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 138 | Q | 30.7 | Very low | 29.9 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | -158.6 | 148.4 | 116.6 | -109.6 | 161.4 | 72.9 | 0 | 0 | 111.8 | |||||
| 139 | T | 27.7 | Very low | 30 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -128.3 | 129.1 | 177.1 | -66.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 140 | F | 28.7 | Very low | 29.9 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -151.2 | 155.3 | 151.8 | -83.9 | -60.9 | 0 | 0 | 0 | 111 | ||||
| 141 | P | 47.4 | Very low | 30.1 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -107.1 | 166.7 | -166 | 40.6 | -35.8 | 0 | 0 | 0 | 114.4 | ||||
| 142 | I | 27.8 | Very low | 30.6 | Very low | 164 Ų | 164 | 129.1 Ų | 129.1 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | -128.6 | 122.5 | 149.2 | -73.8 | 92.2 | 0 | 0 | 0 | 110.4 | ||||
| 143 | S | 28 | Very low | 31.5 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 1.4 | 139.2 | 152.5 | -44.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 144 | A | 28.9 | Very low | 31.5 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | -72.8 | 178 | 151.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 145 | P | 42.6 | Very low | 31.5 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | -123.3 | 158.7 | 115.8 | 35.9 | -34.2 | 0 | 0 | 0 | 113.1 | |||||
| 146 | M | 27.7 | Very low | 31.8 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | -94.8 | 154.2 | 176.5 | -56.7 | -145.4 | -59.2 | 0 | 0 | 111.8 | V148 | M146-V148 HydrophobicContact CE-CG2 4.36Š| ||
| 147 | I | 30.5 | Very low | 31.6 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -125.3 | 138.4 | 158.3 | -63.3 | -179.6 | 0 | 0 | 0 | 107.2 | ||||
| 148 | V | 28.7 | Very low | 31.6 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 64% | 0.642 | 80% | 0.799 | S | S | * | * | trans | -118.2 | 130.8 | -163.9 | 166.2 | 0 | 0 | 0 | 0 | 111.8 | M146 | M146-V148 HydrophobicContact CE-CG2 4.36Š| ||
| 149 | S | 29.3 | Very low | 31.5 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 47.2 | 123.8 | 154.5 | -59.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 150 | A | 27.9 | Very low | 31.4 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -145.9 | 123.3 | 135.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 151 | L | 31 | Very low | 31.5 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | trans | -139.2 | 168.5 | 165.5 | -114.2 | 86.4 | 0 | 0 | 0 | 105.4 | ||||
| 152 | P | 40.3 | Very low | 30.7 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | cis | -139.6 | -139 | 23.3 | 42.1 | -19.6 | 0 | 0 | 0 | 111.2 | ||||
| 153 | P | 45.2 | Very low | 30.6 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | cis | -117 | 171 | -48.2 | 26.6 | -8.5 | 0 | 0 | 0 | 113.3 | ||||
| 154 | G | 27.4 | Very low | 30.8 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -168.8 | 100.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 155 | S | 28.9 | Very low | 30.9 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -80 | 158.5 | -178.2 | -16.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 156 | Q | 31 | Very low | 30.6 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | cis | -142.8 | 171.3 | 0.7 | -59.4 | -177.9 | 7.4 | 0 | 0 | 109.7 | ||||
| 157 | A | 26.1 | Very low | 30.9 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -140 | 128.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 158 | L | 27.8 | Very low | 30.7 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -81.7 | 130.2 | 178.4 | -71.4 | 165.5 | 0 | 0 | 0 | 111 | ||||
| 159 | Q | 27.6 | Very low | 30.7 | Very low | 177 Ų | 177 | 135.4 Ų | 135.4 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | trans | -110.9 | 132.3 | 163.5 | -68 | -170.9 | 8.5 | 0 | 0 | 109.6 | ||||
| 160 | V | 26.8 | Very low | 30.6 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -107.1 | 117.8 | 169.9 | 177.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 161 | V | 29.9 | Very low | 30.6 | Very low | 114 Ų | 114 | 137 Ų | 137 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | -105.4 | 128.4 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | D163 | V161-D163 PolarHBondContact O-N 2.97Š| ||
| 162 | P | 32.1 | Very low | 30.4 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -75.9 | 115.3 | 163.6 | -13.2 | 29.9 | 0 | 0 | 0 | 110 | ||||
| 163 | D | 25.5 | Very low | 29.9 | Very low | 130 Ų | 130 | 136 Ų | 136 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 148.3 | 173.4 | 172.4 | 37.6 | 0 | 0 | 0 | 112 | V161 S165 | V161-D163 PolarHBondContact O-N 2.97Å; D163-S165 PolarHBondContact OD1-N 3.23Å; D163-S165 VanDerWaalsContact OD1-N 3.16Å | ||
| 164 | L | 31.2 | Very low | 29.3 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -152.9 | 86.7 | 157.3 | -166.8 | 70.2 | 0 | 0 | 0 | 110.9 | ||||
| 165 | S | 31.6 | Very low | 29.5 | Very low | 98 Ų | 98 | 142.3 Ų | 142.3 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | -139.3 | 91.2 | 176.6 | -83.7 | 0 | 0 | 0 | 0 | 115.7 | D163 | D163-S165 PolarHBondContact OD1-N 3.23Å; D163-S165 VanDerWaalsContact OD1-N 3.16Å | ||
| 166 | K | 35.9 | Very low | 29.7 | Very low | 209 Ų | 209 | 140.5 Ų | 140.5 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -143.8 | 98 | 153 | -62.8 | -173.7 | -177.2 | 177.7 | 0 | 107.1 | ||||
| 167 | K | 33.7 | Very low | 29.7 | Very low | 195 Ų | 195 | 136.1 Ų | 136.1 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | 67.4 | 108.3 | 56.7 | -168.6 | -174.1 | 177.8 | -179 | 0 | 113.9 | |||||
| 168 | V | 26.9 | Very low | 29.8 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | -143.6 | 155 | 129.7 | 150.9 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 169 | A | 28.2 | Very low | 29.9 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -114.6 | 166.3 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 170 | S | 28.3 | Very low | 30.1 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -102.5 | 146.7 | -176.1 | -39.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 171 | T | 27.7 | Very low | 30.2 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -145.4 | 156.4 | 145.3 | 58.9 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 172 | L | 26.6 | Very low | 30.2 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | cis | -140.6 | 153.5 | 17.1 | -74.2 | 164.5 | 0 | 0 | 0 | 112.2 | ||||
| 173 | T | 29.1 | Very low | 30 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 69% | 0.687 | 82% | 0.82 | S | S | * | * | trans | 39.3 | 124.5 | 140.2 | 62.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 174 | E | 32.5 | Very low | 30.1 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 73% | 0.729 | 83% | 0.828 | S | S | * | * | 79.9 | 130.9 | 121.3 | -63.3 | -60.6 | 80.3 | 0 | 0 | 124.3 | |||||
| 175 | E | 32.8 | Very low | 30 | Very low | 178 Ų | 178 | 116.4 Ų | 116.4 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | 61.6 | 152.3 | 143.1 | -58.8 | -66.1 | 72.6 | 0 | 0 | 121.7 | ||||
| 176 | G | 32 | Very low | 30 | Very low | 78 Ų | 78 | 118.9 Ų | 118.9 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -167.7 | 151.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 177 | G | 30.7 | Very low | 29.8 | Very low | 87 Ų | 87 | 113.1 Ų | 113.1 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | 106.6 | 123.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 178 | G | 29.9 | Very low | 30.3 | Very low | 81 Ų | 81 | 108.8 Ų | 108.8 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 147.8 | 91.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 179 | G | 29.6 | Very low | 30.5 | Very low | 85 Ų | 85 | 111 Ų | 111 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | 75.6 | 135 | 137.7 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 180 | G | 30.1 | Very low | 31.5 | Very low | 82 Ų | 82 | 112.3 Ų | 112.3 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | 110.2 | 82.2 | 124.6 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 181 | G | 29.4 | Very low | 32.3 | Very low | 86 Ų | 86 | 111.7 Ų | 111.7 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | 78.7 | 170.4 | 137 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 182 | G | 29.6 | Very low | 32.6 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | 108.5 | 122.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 183 | G | 28.4 | Very low | 32.7 | Very low | 87 Ų | 87 | 114 Ų | 114 | 90% | 0.897 | 82% | 0.816 | S | S | * | * | trans | -107.5 | 157.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 184 | G | 28.8 | Very low | 33 | Very low | 84 Ų | 84 | 120.8 Ų | 120.8 | 87% | 0.866 | 83% | 0.829 | S | S | * | * | trans | -175.8 | 116 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 185 | S | 28.5 | Very low | 33.1 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | trans | -96 | 140.8 | -175.6 | 46.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 186 | V | 30.7 | Very low | 33.1 | Very low | 150 Ų | 150 | 125 Ų | 125 | 91% | 0.909 | 84% | 0.842 | S | S | * | * | -174.2 | 158.4 | 126.7 | -92.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 187 | A | 32.6 | Very low | 33.2 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -127.2 | -174.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 188 | P | 43.6 | Very low | 33.1 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 68% | 0.682 | 84% | 0.842 | S | S | * | * | cis | -148.5 | -171.4 | 7.3 | 46.3 | -26.9 | 0 | 0 | 0 | 117.7 | ||||
| 189 | K | 32.2 | Very low | 33.2 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | trans | 85.2 | 146.4 | 148.8 | -79.2 | 169.9 | -176.6 | 172.7 | 0 | 122 | ||||
| 190 | P | 49.2 | Very low | 33.4 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 74% | 0.74 | 83% | 0.831 | S | S | * | * | trans | -102 | -174.4 | 176.8 | 43.9 | -37.7 | 0 | 0 | 0 | 112.5 | ||||
| 191 | P | 44 | Very low | 33.4 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 69% | 0.688 | 83% | 0.826 | S | S | * | * | -158.2 | -174.8 | 95.7 | 39.8 | -19.3 | 0 | 0 | 0 | 117.3 | |||||
| 192 | R | 34.5 | Very low | 33.5 | Very low | 245 Ų | 245 | 148.4 Ų | 148.4 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | 76.1 | 129.9 | 166.4 | -55.9 | 170.1 | 178.9 | -178.4 | -1 | 116.7 | ||||
| 193 | G | 28.2 | Very low | 33.8 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | cis | 126.1 | 109.9 | -15.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 194 | R | 35.7 | Very low | 33.8 | Very low | 256 Ų | 256 | 151.4 Ų | 151.4 | 97% | 0.966 | 81% | 0.814 | S | S | * | * | trans | -154.8 | 111.8 | 160.3 | -120.6 | 174.5 | -175 | 172.9 | 2.6 | 111.7 | ||||
| 195 | K | 34.4 | Very low | 33.9 | Very low | 204 Ų | 204 | 153 Ų | 153 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -82.5 | 145.2 | 165.2 | -73.2 | 175.5 | 175.9 | 172.7 | 0 | 109.4 | ||||
| 196 | K | 33.7 | Very low | 34.4 | Very low | 217 Ų | 217 | 156 Ų | 156 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -131 | 123.1 | 140.1 | -91.9 | -170.9 | 173.8 | -178.8 | 0 | 108 | ||||
| 197 | K | 34.5 | Very low | 34.5 | Very low | 174 Ų | 174 | 157.4 Ų | 157.4 | 76% | 0.757 | 81% | 0.81 | S | S | * | * | trans | -113.2 | 137.8 | 175.1 | -157.9 | -171.2 | -167.7 | -163.6 | 0 | 106.2 | M199 | K197-M199 HydrophobicContact CD-CG 4.49Å; K197-M199 HydrophobicContact CD-SD 4.01Å; K197-M199 WeakPolarHBondContact CE-SD 3.35Å; K197-M199 HydrophobicContact CG-CG 4.48Å; K197-M199 PolarHBondContact NZ-SD 2.87Å | ||
| 198 | R | 28.3 | Very low | 34.5 | Very low | 251 Ų | 251 | 159.4 Ų | 159.4 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | trans | -133.5 | 132.9 | 161.6 | -151.9 | 176.9 | -158.5 | -169.1 | 4.8 | 107.4 | ||||
| 199 | M | 31.2 | Very low | 34.2 | Very low | 123 Ų | 123 | 159.6 Ų | 159.6 | 61% | 0.606 | 80% | 0.804 | S | S | * | * | trans | -133.9 | 139.8 | 176.9 | -69.2 | 171.3 | 64.4 | 0 | 0 | 107 | K197 | K197-M199 HydrophobicContact CD-CG 4.49Å; K197-M199 HydrophobicContact CD-SD 4.01Å; K197-M199 WeakPolarHBondContact CE-SD 3.35Å; K197-M199 HydrophobicContact CG-CG 4.48Å; K197-M199 PolarHBondContact NZ-SD 2.87Å | ||
| 200 | L | 33.1 | Very low | 34.7 | Very low | 165 Ų | 165 | 155.7 Ų | 155.7 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 168.6 | 150.2 | 140 | -109.1 | 67.7 | 0 | 0 | 0 | 104.1 | ||||
| 201 | E | 30.4 | Very low | 34.7 | Very low | 159 Ų | 159 | 160 Ų | 160 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | cis | 161 | 109.9 | -15.3 | -179.9 | 69.8 | -151.1 | 0 | 0 | 102.1 | ||||
| 202 | S | 31.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 160.5 Ų | 160.5 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -159.6 | 87.4 | 176.5 | 60.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 203 | G | 36.5 | Very low | 34.6 | Very low | 70 Ų | 70 | 156 Ų | 156 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -76.7 | 132.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 204 | L | 27.9 | Very low | 34.7 | Very low | 167 Ų | 167 | 156 Ų | 156 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -148.7 | 160.8 | 152.3 | -125.6 | 78.6 | 0 | 0 | 0 | 106.3 | ||||
| 205 | P | 31.9 | Very low | 35.8 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -69.2 | 143.2 | -158.6 | 26.7 | -34.3 | 0 | 0 | 0 | 114.3 | M207 | P205-M207 PolarHBondContact O-N 3.29Š| ||
| 206 | E | 38.8 | Very low | 36 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | trans | -73.1 | 91.6 | -177 | -170.3 | -177.8 | 137.7 | 0 | 0 | 111.8 | N208 | E206-N208 PolarHBondContact O-N 3.48Š| ||
| 207 | M | 31.5 | Very low | 36.4 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 89% | 0.892 | 77% | 0.766 | S | S | * | * | trans | -73.5 | 114.6 | 166.7 | 70.6 | -178.8 | -168.5 | 0 | 0 | 109.5 | P205 D209 | P205-M207 PolarHBondContact O-N 3.29Å; M207-D209 PolarHBondContact O-N 3Å | ||
| 208 | N | 33.1 | Very low | 36.5 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -63.2 | 124 | 179.8 | -105.2 | -115 | 0 | 0 | 0 | 111 | E206 P210 | E206-N208 PolarHBondContact O-N 3.48Å; N208-P210 VanDerWaalsContact O-CD 3.27Å; N208-P210 WeakPolarHBondContact O-CD 3.37Å | ||
| 209 | D | 37.3 | Very low | 37.5 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 58% | 0.583 | 77% | 0.77 | S | S | * | * | trans | -74.9 | 113.2 | 170.9 | -173.4 | -19.8 | 0 | 0 | 0 | 109 | M207 Y211 V212 | M207-D209 PolarHBondContact O-N 3Å; D209-Y211 PolarHBondContact O-N 3.28Å; D209-Y211 PolarHBondContact OD1-N 2.76Å; D209-V212 PolarHBondContact O-N 3.1Å | ||
| 210 | P | 43.5 | Very low | 38.3 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 9.5 | -169.4 | -21.7 | 35 | 0 | 0 | 0 | 116.2 | N208 | N208-P210 VanDerWaalsContact O-CD 3.27Å; N208-P210 WeakPolarHBondContact O-CD 3.37Å |
| 211 | Y | 48 | Very low | 38.9 | Very low | 204 Ų | 204 | 140.9 Ų | 140.9 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.9 | 11.7 | -174.4 | -78.8 | -71.8 | 0 | 0 | 0 | 115.7 | D209 | D209-Y211 PolarHBondContact O-N 3.28Å; D209-Y211 PolarHBondContact OD1-N 2.76Å |
| 212 | V | 38.4 | Very low | 39.5 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 121.9 | 160 | -177.1 | 0 | 0 | 0 | 0 | 108.6 | D209 | D209-V212 PolarHBondContact O-N 3.1Š|
| 213 | L | 38.1 | Very low | 40.3 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 123.8 | 170.6 | -71.4 | 167.3 | 0 | 0 | 0 | 108.9 | ||
| 214 | S | 30.3 | Very low | 40.8 | Very low | 78 Ų | 78 | 147.5 Ų | 147.5 | 55% | 0.545 | 77% | 0.769 | S | S | . | * | P | Polyproline II helix | trans | -56 | 139.2 | 157 | -64 | 0 | 0 | 0 | 0 | 110.1 | E216 | S214-E216 VanDerWaalsContact C-N 3.34Å; S214-E216 WeakPolarHBondContact CB-OE1 3.47Å; S214-E216 PolarHBondContact O-N 2.99Å; S214-E216 PolarHBondContact OG-OE1 3.06Å |
| 215 | P | 58.3 | Low | 42.2 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | trans | -85 | 80.7 | 161.7 | 34.1 | -29.1 | 0 | 0 | 0 | 108.7 | ||||
| 216 | E | 38.9 | Very low | 43.6 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -127.1 | 143.9 | 168.9 | 57.8 | -159.5 | 114.6 | 0 | 0 | 110.3 | S214 | S214-E216 VanDerWaalsContact C-N 3.34Å; S214-E216 WeakPolarHBondContact CB-OE1 3.47Å; S214-E216 PolarHBondContact O-N 2.99Å; S214-E216 PolarHBondContact OG-OE1 3.06Å | ||
| 217 | D | 42.7 | Very low | 45.1 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -69.5 | 139.9 | -148.2 | -54.5 | -101 | 0 | 0 | 0 | 116.6 | ||||
| 218 | D | 36.2 | Very low | 47.2 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 91% | 0.914 | 71% | 0.714 | S | S | * | * | trans | -155.1 | 91.7 | 153.6 | -117.1 | -30.1 | 0 | 0 | 0 | 107.6 | ||||
| 219 | D | 48.6 | Very low | 49.2 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | trans | -103.7 | 89.2 | -178.8 | -163.1 | -46.9 | 0 | 0 | 0 | 110.7 | ||||
| 220 | D | 49.5 | Very low | 51.1 | Low | 129 Ų | 129 | 132.2 Ų | 132.2 | 69% | 0.69 | 68% | 0.684 | S | S | * | * | trans | -162.8 | 177.7 | 148.3 | -145.8 | -45.5 | 0 | 0 | 0 | 109.9 | ||||
| 221 | H | 45.1 | Very low | 52.4 | Low | 166 Ų | 166 | 138.5 Ų | 138.5 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | trans | 79.8 | 70.2 | 175.4 | -56.2 | 86.5 | 0 | 0 | 0 | 117.3 | ||||
| 222 | Q | 43.5 | Very low | 53.3 | Low | 157 Ų | 157 | 135.4 Ų | 135.4 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | 85 | 143.9 | 124 | -152.5 | 60.9 | 18.8 | 0 | 0 | 119.6 | D224 | Q222-D224 VanDerWaalsContact C-N 3.27Å; Q222-D224 PolarHBondContact O-N 3.28Å | |||
| 223 | K | 48.1 | Very low | 55 | Low | 204 Ų | 204 | 132.1 Ų | 132.1 | 89% | 0.887 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -86 | 41.7 | -164.7 | -161.1 | 177.9 | -179.4 | 175.8 | 0 | 113.8 | ||
| 224 | D | 46.6 | Very low | 56.7 | Low | 125 Ų | 125 | 128 Ų | 128 | 67% | 0.668 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -111.5 | 159.2 | -174.6 | -77.1 | -74.8 | 0 | 0 | 0 | 113.4 | Q222 K226 | Q222-D224 VanDerWaalsContact C-N 3.27Å; Q222-D224 PolarHBondContact O-N 3.28Å; D224-K226 PolarHBondContact O-N 2.94Å; D224-K226 VanDerWaalsContact O-N 3.13Å |
| 225 | G | 57.3 | Low | 58.8 | Low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 65% | 0.651 | S | S | * | * | trans | -58.6 | 115.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T227 | G225-T227 WeakPolarHBondContact O-CG2 3.41Å; G225-T227 PolarHBondContact O-N 2.73Å | ||
| 226 | K | 61.1 | Low | 59.8 | Low | 172 Ų | 172 | 125.7 Ų | 125.7 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | trans | -57.5 | 97.2 | -174.8 | -59 | -171.8 | -178.6 | -168.1 | 0 | 112.1 | D224 Y228 | D224-K226 PolarHBondContact O-N 2.94Å; D224-K226 VanDerWaalsContact O-N 3.13Å; K226-Y228 HydrophobicContact CB-CE2 4.48Å; K226-Y228 WeakPolarHBondContact O-CD2 3.37Å; K226-Y228 WeakPolarHBondContact O-CE2 3.45Å | ||
| 227 | T | 70.8 | Confident | 61.7 | Low | 74 Ų | 74 | 120.4 Ų | 120.4 | 45% | 0.454 | 60% | 0.604 | S | S | . | * | trans | -97.8 | 148.7 | 175.1 | 60.1 | 0 | 0 | 0 | 0 | 111.9 | G225 T236 F237 Y238 | G225-T227 WeakPolarHBondContact O-CG2 3.41Å; G225-T227 PolarHBondContact O-N 2.73Å; T227-T236 VanDerWaalsContact CB-CG2 3.45Å; T227-T236 HydrophobicContact CG2-CG2 4.13Å; T227-T236 WeakPolarHBondContact OG1-CG2 3.41Å; T227-F237 CarbonylContact C-O 3.57Å; T227-F237 WeakPolarHBondContact CA-O 3.34Å; T227-F237 WeakPolarHBondContact CB-O 3.42Å; T227-Y238 HydrophobicContact CG2-CD1 3.75Å; T227-Y238 HydrophobicContact CG2-CE1 3.88Å | ||
| 228 | Y | 74.9 | Confident | 63.4 | Low | 76 Ų | 76 | 122.5 Ų | 122.5 | 30% | 0.298 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.8 | -170.4 | -61.1 | -89.9 | 0 | 0 | 0 | 109.7 | K226 F237 K240 | K226-Y228 HydrophobicContact CB-CE2 4.48Å; K226-Y228 WeakPolarHBondContact O-CD2 3.37Å; K226-Y228 WeakPolarHBondContact O-CE2 3.45Å; Y228-F237 PolarHBondContact N-O 2.91Å; Y228-F237 PolarHBondContact O-N 3.42Å; Y228-K240 HydrophobicContact CD1-CB 3.77Å; Y228-K240 HydrophobicContact CD1-CD 4.47Å; Y228-K240 HydrophobicContact CD1-CG 3.91Å; Y228-K240 HydrophobicContact CD2-CB 4.32Å; Y228-K240 HydrophobicContact CE1-CB 3.58Å; Y228-K240 HydrophobicContact CE1-CD 4.01Å; Y228-K240 HydrophobicContact CE1-CG 3.85Å; Y228-K240 HydrophobicContact CE2-CB 4.15Å; Y228-K240 HydrophobicContact CG-CB 4.14Å |
| 229 | R | 75.1 | Confident | 65.4 | Low | 164 Ų | 164 | 116.2 Ų | 116.2 | 62% | 0.619 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.4 | -175.1 | -172.7 | 173.3 | 172.5 | -173.7 | -4.5 | 111.8 | R231 S234 L235 | R229-R231 PolarHBondContact O-N 3.38Å; R229-S234 PolarHBondContact NH2-OG 2.91Å; R229-L235 WeakPolarHBondContact CA-O 3.42Å |
| 230 | C | 78 | Confident | 66.7 | Low | 5 Ų | 5 | 114.5 Ų | 114.5 | 3% | 0.034 | 56% | 0.556 | C | S | . | * | trans | -72.8 | 117 | 175.3 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | M232 C233 S234 L235 F237 | C230-M232 PolarHBondContact O-N 2.94Å; C230-C233 PolarHBondContact O-N 3.39Å; C230-S234 VanDerWaalsContact O-CA 3.26Å; C230-S234 WeakPolarHBondContact O-CA 3.41Å; C230-S234 PolarHBondContact O-N 2.92Å; C230-L235 PolarHBondContact N-O 3.5Å; C230-F237 HydrophobicContact CB-CE2 4.28Å | ||
| 231 | R | 70.8 | Confident | 67.8 | Low | 245 Ų | 245 | 111.4 Ų | 111.4 | 93% | 0.925 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.5 | 180 | -157 | 83.5 | 170.2 | -165.9 | -1.9 | 113 | R229 | R229-R231 PolarHBondContact O-N 3.38Š|
| 232 | M | 67.3 | Low | 69.1 | Low | 138 Ų | 138 | 108.1 Ų | 108.1 | 68% | 0.68 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -25.1 | -173.1 | -59.6 | -55 | -67.9 | 0 | 0 | 115.1 | C230 H250 | C230-M232 PolarHBondContact O-N 2.94Å; M232-H250 HydrophobicContact CB-CB 4.39Å; M232-H250 HydrophobicContact CG-CB 4.41Å |
| 233 | C | 74.1 | Confident | 70.7 | Confident | 49 Ų | 49 | 102.6 Ų | 102.6 | 33% | 0.331 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.2 | 6.4 | -174.9 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | C230 L235 H246 H250 | C230-C233 PolarHBondContact O-N 3.39Å; C233-L235 PolarHBondContact O-N 3.42Å; C233-H246 PolarHBondContact SG-NE2 2.95Å; C233-H250 PolarHBondContact SG-NE2 2.93Å; C233-H250 VanDerWaalsContact SG-NE2 3.41Å |
| 234 | S | 73.4 | Confident | 71.8 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 43% | 0.434 | 49% | 0.485 | S | S | . | . | trans | 59.3 | 5.8 | -176.9 | -73 | 0 | 0 | 0 | 0 | 117.6 | R229 C230 | R229-S234 PolarHBondContact NH2-OG 2.91Å; C230-S234 VanDerWaalsContact O-CA 3.26Å; C230-S234 WeakPolarHBondContact O-CA 3.41Å; C230-S234 PolarHBondContact O-N 2.92Å | ||
| 235 | L | 74.3 | Confident | 73 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | trans | -66.5 | 136.3 | 175.4 | -69.4 | 177.2 | 0 | 0 | 0 | 111.8 | R229 C230 C233 F237 | R229-L235 WeakPolarHBondContact CA-O 3.42Å; C230-L235 PolarHBondContact N-O 3.5Å; C233-L235 PolarHBondContact O-N 3.42Å; L235-F237 HydrophobicContact CB-CE2 3.7Å; L235-F237 HydrophobicContact CB-CZ 3.91Å; L235-F237 HydrophobicContact CD1-CZ 4.46Å; L235-F237 WeakPolarHBondContact O-CE2 3.35Å | ||
| 236 | T | 79.1 | Confident | 73.8 | Confident | 73 Ų | 73 | 92.8 Ų | 92.8 | 45% | 0.448 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.4 | -177.2 | -60 | 0 | 0 | 0 | 0 | 110.9 | T227 | T227-T236 VanDerWaalsContact CB-CG2 3.45Å; T227-T236 HydrophobicContact CG2-CG2 4.13Å; T227-T236 WeakPolarHBondContact OG1-CG2 3.41Å |
| 237 | F | 80.2 | Confident | 74.2 | Confident | 40 Ų | 40 | 86.4 Ų | 86.4 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 155.6 | -176.5 | -60.1 | -91.4 | 0 | 0 | 0 | 111 | T227 Y228 C230 L235 E242 M243 H246 | T227-F237 CarbonylContact C-O 3.57Å; T227-F237 WeakPolarHBondContact CA-O 3.34Å; T227-F237 WeakPolarHBondContact CB-O 3.42Å; Y228-F237 PolarHBondContact N-O 2.91Å; Y228-F237 PolarHBondContact O-N 3.42Å; C230-F237 HydrophobicContact CB-CE2 4.28Å; L235-F237 HydrophobicContact CB-CE2 3.7Å; L235-F237 HydrophobicContact CB-CZ 3.91Å; L235-F237 HydrophobicContact CD1-CZ 4.46Å; L235-F237 WeakPolarHBondContact O-CE2 3.35Å; F237-E242 HydrophobicContact CB-CB 4.18Å; F237-E242 HydrophobicContact CD1-CB 4.05Å; F237-E242 HydrophobicContact CG-CB 4.39Å; F237-M243 HydrophobicContact CB-CB 4.1Å; F237-M243 HydrophobicContact CD2-CB 3.89Å; F237-M243 HydrophobicContact CD2-CG 4.1Å; F237-M243 HydrophobicContact CG-CB 4.16Å; F237-H246 HydrophobicContact CE1-CB 3.93Å; F237-H246 HydrophobicContact CE2-CB 3.95Å; F237-H246 AromaticContact CE2-CD2 3.4Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.43Å; F237-H246 AromaticContact CE2-CG 3.69Å; F237-H246 HydrophobicContact CZ-CB 3.51Å; F237-H246 AromaticContact CZ-CD2 3.39Å; F237-H246 WeakPolarHBondContact CZ-CD2 3.49Å; F237-H246 AromaticContact CZ-CG 3.23Å; F237-H246 AromaticContact CZ-ND1 3.85Å |
| 238 | Y | 77.8 | Confident | 74.1 | Confident | 197 Ų | 197 | 87.2 Ų | 87.2 | 77% | 0.773 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -87.6 | -10.2 | 179.4 | -62.7 | -79.7 | 0 | 0 | 0 | 113.2 | T227 | T227-Y238 HydrophobicContact CG2-CD1 3.75Å; T227-Y238 HydrophobicContact CG2-CE1 3.88Å |
| 239 | S | 78.1 | Confident | 73.7 | Confident | 39 Ų | 39 | 86.4 Ų | 86.4 | 27% | 0.273 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -129.9 | 142.8 | 174.7 | 173.7 | 0 | 0 | 0 | 0 | 113 | S241 E242 M243 | S239-S241 PolarHBondContact O-N 3.26Å; S239-S241 PolarHBondContact OG-N 3.45Å; S239-S241 VanDerWaalsContact OG-N 3.13Å; S239-S241 PolarHBondContact OG-OG 2.93Å; S239-E242 PolarHBondContact N-OE2 3.49Å; S239-E242 PolarHBondContact O-N 3.34Å; S239-M243 PolarHBondContact O-N 2.94Å |
| 240 | K | 75.6 | Confident | 73.2 | Confident | 128 Ų | 128 | 82.3 Ų | 82.3 | 56% | 0.557 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.1 | -36.9 | 171.4 | -164 | 171.9 | -178.3 | 174.6 | 0 | 111.4 | Y228 Q244 | Y228-K240 HydrophobicContact CD1-CB 3.77Å; Y228-K240 HydrophobicContact CD1-CD 4.47Å; Y228-K240 HydrophobicContact CD1-CG 3.91Å; Y228-K240 HydrophobicContact CD2-CB 4.32Å; Y228-K240 HydrophobicContact CE1-CB 3.58Å; Y228-K240 HydrophobicContact CE1-CD 4.01Å; Y228-K240 HydrophobicContact CE1-CG 3.85Å; Y228-K240 HydrophobicContact CE2-CB 4.15Å; Y228-K240 HydrophobicContact CG-CB 4.14Å; K240-Q244 VanDerWaalsContact O-CB 3.27Å; K240-Q244 WeakPolarHBondContact O-CB 3.35Å; K240-Q244 PolarHBondContact O-N 3.42Å |
| 241 | S | 71.8 | Confident | 72.4 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71.2 | -36.3 | 179 | 63 | 0 | 0 | 0 | 0 | 112.3 | S239 Q244 I245 | S239-S241 PolarHBondContact O-N 3.26Å; S239-S241 PolarHBondContact OG-N 3.45Å; S239-S241 VanDerWaalsContact OG-N 3.13Å; S239-S241 PolarHBondContact OG-OG 2.93Å; S241-Q244 PolarHBondContact O-N 3.31Å; S241-I245 WeakPolarHBondContact O-CB 3.43Å; S241-I245 WeakPolarHBondContact O-CD1 3.36Å; S241-I245 WeakPolarHBondContact O-CG1 3.44Å; S241-I245 PolarHBondContact O-N 3.46Å |
| 242 | E | 73.2 | Confident | 71.8 | Confident | 96 Ų | 96 | 82.5 Ų | 82.5 | 45% | 0.449 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 173.9 | -68.2 | 177.8 | 145.8 | 0 | 0 | 111.2 | F237 S239 Q244 I245 H246 | F237-E242 HydrophobicContact CB-CB 4.18Å; F237-E242 HydrophobicContact CD1-CB 4.05Å; F237-E242 HydrophobicContact CG-CB 4.39Å; S239-E242 PolarHBondContact N-OE2 3.49Å; S239-E242 PolarHBondContact O-N 3.34Å; E242-Q244 VanDerWaalsContact C-N 3.25Å; E242-Q244 PolarHBondContact O-N 2.96Å; E242-I245 PolarHBondContact O-N 2.94Å; E242-H246 WeakPolarHBondContact O-CB 3.42Å; E242-H246 PolarHBondContact O-N 3.34Å |
| 243 | M | 78.3 | Confident | 71.2 | Confident | 41 Ų | 41 | 81.1 Ų | 81.1 | 20% | 0.202 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.6 | -38.5 | 173.6 | -176 | -128.2 | 62.3 | 0 | 0 | 111.7 | F237 S239 H246 S247 | F237-M243 HydrophobicContact CB-CB 4.1Å; F237-M243 HydrophobicContact CD2-CB 3.89Å; F237-M243 HydrophobicContact CD2-CG 4.1Å; F237-M243 HydrophobicContact CG-CB 4.16Å; S239-M243 PolarHBondContact O-N 2.94Å; M243-H246 PolarHBondContact O-N 3.49Å; M243-S247 PolarHBondContact O-N 2.94Å |
| 244 | Q | 71.1 | Confident | 70.7 | Confident | 105 Ų | 105 | 82.8 Ų | 82.8 | 49% | 0.491 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -78.2 | -30.1 | 179.6 | -162.8 | -177.2 | 25 | 0 | 0 | 113.3 | K240 S241 E242 H246 S247 K248 | K240-Q244 VanDerWaalsContact O-CB 3.27Å; K240-Q244 WeakPolarHBondContact O-CB 3.35Å; K240-Q244 PolarHBondContact O-N 3.42Å; S241-Q244 PolarHBondContact O-N 3.31Å; E242-Q244 VanDerWaalsContact C-N 3.25Å; E242-Q244 PolarHBondContact O-N 2.96Å; Q244-H246 VanDerWaalsContact C-N 3.32Å; Q244-S247 WeakPolarHBondContact CA-OG 3.34Å; Q244-S247 PolarHBondContact O-OG 3.49Å; Q244-S247 VanDerWaalsContact O-OG 3.08Å; Q244-K248 VanDerWaalsContact O-CG 3.3Å; Q244-K248 WeakPolarHBondContact O-CG 3.34Å; Q244-K248 PolarHBondContact O-N 3.41Å |
| 245 | I | 69.9 | Low | 70.5 | Confident | 52 Ų | 52 | 83.9 Ų | 83.9 | 27% | 0.267 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.6 | -37.1 | 168.6 | -71.6 | 160.2 | 0 | 0 | 0 | 109.9 | S241 E242 N267 Y270 | S241-I245 WeakPolarHBondContact O-CB 3.43Å; S241-I245 WeakPolarHBondContact O-CD1 3.36Å; S241-I245 WeakPolarHBondContact O-CG1 3.44Å; S241-I245 PolarHBondContact O-N 3.46Å; E242-I245 PolarHBondContact O-N 2.94Å; I245-N267 WeakPolarHBondContact CD1-ND2 3.43Å; I245-N267 HydrophobicContact CG2-CB 4.28Å; I245-Y270 HydrophobicContact CG2-CE2 4.05Å |
| 246 | H | 74.4 | Confident | 70.3 | Confident | 33 Ų | 33 | 82.5 Ų | 82.5 | 15% | 0.153 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -72.3 | -39 | 175.7 | 174.3 | 66.3 | 0 | 0 | 0 | 113 | C233 F237 E242 M243 Q244 K248 S249 H250 | C233-H246 PolarHBondContact SG-NE2 2.95Å; F237-H246 HydrophobicContact CE1-CB 3.93Å; F237-H246 HydrophobicContact CE2-CB 3.95Å; F237-H246 AromaticContact CE2-CD2 3.4Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.43Å; F237-H246 AromaticContact CE2-CG 3.69Å; F237-H246 HydrophobicContact CZ-CB 3.51Å; F237-H246 AromaticContact CZ-CD2 3.39Å; F237-H246 WeakPolarHBondContact CZ-CD2 3.49Å; F237-H246 AromaticContact CZ-CG 3.23Å; F237-H246 AromaticContact CZ-ND1 3.85Å; E242-H246 WeakPolarHBondContact O-CB 3.42Å; E242-H246 PolarHBondContact O-N 3.34Å; M243-H246 PolarHBondContact O-N 3.49Å; Q244-H246 VanDerWaalsContact C-N 3.32Å; H246-K248 PolarHBondContact O-N 3.33Å; H246-S249 PolarHBondContact ND1-OG 2.93Å; H246-S249 VanDerWaalsContact O-CB 3.29Å; H246-S249 WeakPolarHBondContact O-CB 3.44Å; H246-S249 PolarHBondContact O-N 2.94Å; H246-S249 PolarHBondContact O-OG 3.5Å; H246-H250 AromaticContact CD2-NE2 3.84Å; H246-H250 AromaticContact CE1-CE1 4Å; H246-H250 AromaticContact CE1-NE2 3.45Å; H246-H250 PolarHBondContact CE1-NE2 2.96Å; H246-H250 AromaticContact NE2-CD2 3.92Å; H246-H250 AromaticContact NE2-CE1 3.84Å; H246-H250 AromaticContact NE2-NE2 2.97Å; H246-H250 PolarHBondContact NE2-NE2 3.46Å |
| 247 | S | 69.4 | Low | 70 | Confident | 38 Ų | 38 | 86.4 Ų | 86.4 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 177.5 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | M243 Q244 S249 H250 | M243-S247 PolarHBondContact O-N 2.94Å; Q244-S247 WeakPolarHBondContact CA-OG 3.34Å; Q244-S247 PolarHBondContact O-OG 3.49Å; Q244-S247 VanDerWaalsContact O-OG 3.08Å; S247-S249 PolarHBondContact O-N 3.33Å; S247-H250 PolarHBondContact O-N 3.49Å |
| 248 | K | 69.6 | Low | 69.9 | Low | 90 Ų | 90 | 85 Ų | 85 | 39% | 0.391 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -0.3 | 170.1 | -66.5 | 172.8 | -176.5 | -175.9 | 0 | 115.1 | Q244 H246 T251 A266 | Q244-K248 VanDerWaalsContact O-CG 3.3Å; Q244-K248 WeakPolarHBondContact O-CG 3.34Å; Q244-K248 PolarHBondContact O-N 3.41Å; H246-K248 PolarHBondContact O-N 3.33Å; K248-T251 WeakPolarHBondContact CA-OG1 3.34Å; K248-T251 PolarHBondContact O-OG1 2.95Å; K248-A266 HydrophobicContact CB-CB 3.94Å; K248-A266 VanDerWaalsContact O-CB 3.31Å; K248-A266 WeakPolarHBondContact O-CB 3.43Å |
| 249 | S | 66.2 | Low | 69.7 | Low | 59 Ų | 59 | 80.4 Ų | 80.4 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -17.7 | 169.6 | 74.5 | 0 | 0 | 0 | 0 | 113.8 | H246 S247 | H246-S249 PolarHBondContact ND1-OG 2.93Å; H246-S249 VanDerWaalsContact O-CB 3.29Å; H246-S249 WeakPolarHBondContact O-CB 3.44Å; H246-S249 PolarHBondContact O-N 2.94Å; H246-S249 PolarHBondContact O-OG 3.5Å; S247-S249 PolarHBondContact O-N 3.33Å |
| 250 | H | 64 | Low | 69.4 | Low | 78 Ų | 78 | 84.2 Ų | 84.2 | 36% | 0.361 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -24.4 | 172.5 | -58.6 | -64.7 | 0 | 0 | 0 | 112.6 | M232 C233 H246 S247 | M232-H250 HydrophobicContact CB-CB 4.39Å; M232-H250 HydrophobicContact CG-CB 4.41Å; C233-H250 PolarHBondContact SG-NE2 2.93Å; C233-H250 VanDerWaalsContact SG-NE2 3.41Å; H246-H250 AromaticContact CD2-NE2 3.84Å; H246-H250 AromaticContact CE1-CE1 4Å; H246-H250 AromaticContact CE1-NE2 3.45Å; H246-H250 PolarHBondContact CE1-NE2 2.96Å; H246-H250 AromaticContact NE2-CD2 3.92Å; H246-H250 AromaticContact NE2-CE1 3.84Å; H246-H250 AromaticContact NE2-NE2 2.97Å; H246-H250 PolarHBondContact NE2-NE2 3.46Å; S247-H250 PolarHBondContact O-N 3.49Å |
| 251 | T | 61.7 | Low | 69.6 | Low | 65 Ų | 65 | 80.1 Ų | 80.1 | 40% | 0.399 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -84 | 129.2 | 172.3 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | K248 T253 | K248-T251 WeakPolarHBondContact CA-OG1 3.34Å; K248-T251 PolarHBondContact O-OG1 2.95Å; T251-T253 WeakPolarHBondContact CB-OG1 3.37Å; T251-T253 PolarHBondContact O-N 3.41Å |
| 252 | E | 57.5 | Low | 69.8 | Low | 189 Ų | 189 | 83 Ų | 83 | 88% | 0.883 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -67.4 | -17.3 | 179.6 | -58.3 | -158.6 | 127.7 | 0 | 0 | 113.8 | K254 | E252-K254 PolarHBondContact O-N 3.32Š|
| 253 | T | 55.2 | Low | 69.8 | Low | 109 Ų | 109 | 84.4 Ų | 84.4 | 67% | 0.669 | 45% | 0.446 | S | S | * | . | trans | -68.9 | 55.2 | 178.1 | 49 | 0 | 0 | 0 | 0 | 113.7 | T251 P255 | T251-T253 WeakPolarHBondContact CB-OG1 3.37Å; T251-T253 PolarHBondContact O-N 3.41Å; T253-P255 WeakPolarHBondContact O-CD 3.42Å; T253-P255 WeakPolarHBondContact O-CG 3.5Å; T253-P255 VanDerWaalsContact O-N 3.14Å | ||
| 254 | K | 64.9 | Low | 69.6 | Low | 84 Ų | 84 | 84.9 Ų | 84.9 | 37% | 0.365 | 45% | 0.451 | S | S | . | . | trans | -66.9 | 101.2 | 174.4 | -70.5 | 165.5 | -173.4 | 160.2 | 0 | 110 | E252 H256 T264 F265 | E252-K254 PolarHBondContact O-N 3.32Å; K254-H256 PolarHBondContact O-N 3.34Å; K254-T264 WeakPolarHBondContact CB-OG1 3.36Å; K254-T264 WeakPolarHBondContact CD-OG1 3.43Å; K254-F265 CarbonylContact C-O 3.6Å | ||
| 255 | P | 68.1 | Low | 69.8 | Low | 85 Ų | 85 | 82 Ų | 82 | 55% | 0.552 | 44% | 0.437 | S | S | * | . | trans | -73.7 | -29.2 | -162.7 | -16.9 | 32.2 | 0 | 0 | 0 | 112.9 | T253 K257 F265 | T253-P255 WeakPolarHBondContact O-CD 3.42Å; T253-P255 WeakPolarHBondContact O-CG 3.5Å; T253-P255 VanDerWaalsContact O-N 3.14Å; P255-K257 PolarHBondContact O-N 3.48Å; P255-F265 WeakPolarHBondContact CD-O 3.49Å | ||
| 256 | H | 69.9 | Low | 69.8 | Low | 67 Ų | 67 | 80.3 Ų | 80.3 | 31% | 0.31 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 85.8 | -168.8 | -56 | -70.9 | 0 | 0 | 0 | 110.1 | K254 F265 N267 S268 L271 | K254-H256 PolarHBondContact O-N 3.34Å; H256-F265 HydrophobicContact CB-CB 4.37Å; H256-F265 WeakPolarHBondContact CB-O 3.37Å; H256-F265 PolarHBondContact N-O 2.94Å; H256-F265 VanDerWaalsContact N-O 3.12Å; H256-F265 PolarHBondContact O-N 3.42Å; H256-N267 VanDerWaalsContact CD2-C 3.41Å; H256-S268 PolarHBondContact CD2-N 2.94Å; H256-S268 PolarHBondContact NE2-N 2.97Å; H256-L271 HydrophobicContact CB-CB 3.99Å; H256-L271 HydrophobicContact CB-CD2 3.76Å; H256-L271 HydrophobicContact CB-CG 4.48Å |
| 257 | K | 73.4 | Confident | 69.8 | Low | 156 Ų | 156 | 80.2 Ų | 80.2 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 145.3 | 174.6 | -49.7 | -158.8 | 178.2 | -179.9 | 0 | 111 | P255 T264 L271 | P255-K257 PolarHBondContact O-N 3.48Å; K257-T264 HydrophobicContact CB-CG2 4.15Å; K257-T264 HydrophobicContact CD-CG2 4.07Å; K257-T264 HydrophobicContact CG-CG2 3.7Å; K257-L271 WeakPolarHBondContact O-CD2 3.43Å |
| 258 | C | 78.1 | Confident | 70 | Confident | 11 Ų | 11 | 81.3 Ų | 81.3 | 7% | 0.074 | 44% | 0.44 | C | S | . | . | trans | -81.5 | 133.3 | 173.6 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | H260 K263 F265 L271 H274 H278 | C258-H260 PolarHBondContact O-N 3.47Å; C258-K263 WeakPolarHBondContact CB-O 3.36Å; C258-K263 PolarHBondContact N-O 3.31Å; C258-F265 HydrophobicContact CB-CE2 4.43Å; C258-L271 HydrophobicContact CB-CD1 3.8Å; C258-H274 VanDerWaalsContact SG-CD2 3.57Å; C258-H278 VanDerWaalsContact SG-CD2 3.58Å; C258-H278 PolarHBondContact SG-NE2 2.96Å; C258-H278 VanDerWaalsContact SG-NE2 3.41Å | ||
| 259 | P | 72.4 | Confident | 70.3 | Confident | 99 Ų | 99 | 80.7 Ų | 80.7 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -12.9 | 176.8 | 28.2 | -35.5 | 0 | 0 | 0 | 113.8 | ||
| 260 | H | 73.4 | Confident | 70.8 | Confident | 119 Ų | 119 | 84 Ų | 84 | 55% | 0.551 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -3.7 | -176 | -53.1 | -58.5 | 0 | 0 | 0 | 114.2 | C258 H278 | C258-H260 PolarHBondContact O-N 3.47Å; H260-H278 HydrophobicContact CB-CB 4.1Å; H260-H278 AromaticContact CD2-CG 3.98Å |
| 261 | C | 80.1 | Confident | 71.5 | Confident | 43 Ų | 43 | 81.3 Ų | 81.3 | 29% | 0.291 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -163.2 | 164.5 | 172.7 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | K263 H274 H278 | C261-K263 PolarHBondContact O-N 2.94Å; C261-H274 PolarHBondContact SG-NE2 2.96Å; C261-H278 PolarHBondContact SG-NE2 2.95Å |
| 262 | S | 75.9 | Confident | 72.2 | Confident | 123 Ų | 123 | 81 Ų | 81 | 86% | 0.86 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -65.1 | 9.2 | 179.7 | 52.9 | 0 | 0 | 0 | 0 | 116.1 | ||
| 263 | K | 72.4 | Confident | 73.2 | Confident | 127 Ų | 127 | 75 Ų | 75 | 55% | 0.552 | 42% | 0.415 | S | S | * | . | trans | -84.1 | 130.3 | -179.2 | -63.1 | -171.1 | 178.6 | -171.4 | 0 | 111.6 | C258 C261 F265 | C258-K263 WeakPolarHBondContact CB-O 3.36Å; C258-K263 PolarHBondContact N-O 3.31Å; C261-K263 PolarHBondContact O-N 2.94Å; K263-F265 HydrophobicContact CB-CE2 3.82Å; K263-F265 HydrophobicContact CB-CZ 3.94Å | ||
| 264 | T | 74.3 | Confident | 74.5 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 146.1 | 179.3 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | K254 K257 | K254-T264 WeakPolarHBondContact CB-OG1 3.36Å; K254-T264 WeakPolarHBondContact CD-OG1 3.43Å; K257-T264 HydrophobicContact CB-CG2 4.15Å; K257-T264 HydrophobicContact CD-CG2 4.07Å; K257-T264 HydrophobicContact CG-CG2 3.7Å |
| 265 | F | 75.6 | Confident | 75.2 | Confident | 43 Ų | 43 | 69.2 Ų | 69.2 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.4 | -172.9 | -61 | -89.6 | 0 | 0 | 0 | 111.5 | K254 P255 H256 C258 K263 N267 L271 H274 | K254-F265 CarbonylContact C-O 3.6Å; P255-F265 WeakPolarHBondContact CD-O 3.49Å; H256-F265 HydrophobicContact CB-CB 4.37Å; H256-F265 WeakPolarHBondContact CB-O 3.37Å; H256-F265 PolarHBondContact N-O 2.94Å; H256-F265 VanDerWaalsContact N-O 3.12Å; H256-F265 PolarHBondContact O-N 3.42Å; C258-F265 HydrophobicContact CB-CE2 4.43Å; K263-F265 HydrophobicContact CB-CE2 3.82Å; K263-F265 HydrophobicContact CB-CZ 3.94Å; F265-N267 PolarHBondContact O-N 2.95Å; F265-L271 HydrophobicContact CB-CB 4.25Å; F265-L271 HydrophobicContact CD2-CB 4.1Å; F265-L271 HydrophobicContact CD2-CD1 3.9Å; F265-L271 HydrophobicContact CE2-CD1 4.19Å; F265-L271 HydrophobicContact CG-CB 4.32Å; F265-H274 HydrophobicContact CE1-CB 4Å; F265-H274 HydrophobicContact CE2-CB 3.87Å; F265-H274 AromaticContact CE2-CD2 3.38Å; F265-H274 WeakPolarHBondContact CE2-CD2 3.45Å; F265-H274 AromaticContact CE2-CG 3.64Å; F265-H274 HydrophobicContact CZ-CB 3.51Å; F265-H274 AromaticContact CZ-CD2 3.44Å; F265-H274 VanDerWaalsContact CZ-CD2 3.44Å; F265-H274 WeakPolarHBondContact CZ-CD2 3.42Å; F265-H274 AromaticContact CZ-CG 3.25Å; F265-H274 AromaticContact CZ-ND1 3.79Å |
| 266 | A | 70.1 | Confident | 75.8 | Confident | 18 Ų | 18 | 68 Ų | 68 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -74 | -11.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | K248 | K248-A266 HydrophobicContact CB-CB 3.94Å; K248-A266 VanDerWaalsContact O-CB 3.31Å; K248-A266 WeakPolarHBondContact O-CB 3.43Å |
| 267 | N | 73.6 | Confident | 76.1 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 16% | 0.16 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -147.8 | 138.5 | -177.2 | -174.4 | -4.7 | 0 | 0 | 0 | 110.7 | I245 H256 F265 S269 Y270 L271 | I245-N267 WeakPolarHBondContact CD1-ND2 3.43Å; I245-N267 HydrophobicContact CG2-CB 4.28Å; H256-N267 VanDerWaalsContact CD2-C 3.41Å; F265-N267 PolarHBondContact O-N 2.95Å; N267-S269 VanDerWaalsContact C-N 3.28Å; N267-S269 PolarHBondContact O-N 3.47Å; N267-S269 PolarHBondContact OD1-N 2.93Å; N267-Y270 HydrophobicContact CB-CD2 3.86Å; N267-Y270 HydrophobicContact CB-CE2 4.45Å; N267-Y270 PolarHBondContact O-N 3.46Å; N267-L271 PolarHBondContact O-N 3.31Å; N267-L271 VanDerWaalsContact O-N 3.15Å |
| 268 | S | 74.3 | Confident | 76.2 | Confident | 62 Ų | 62 | 64.9 Ų | 64.9 | 43% | 0.434 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.8 | -36.5 | 176.3 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | H256 Y270 L271 A272 | H256-S268 PolarHBondContact CD2-N 2.94Å; H256-S268 PolarHBondContact NE2-N 2.97Å; S268-Y270 VanDerWaalsContact C-N 3.32Å; S268-Y270 PolarHBondContact O-N 3.35Å; S268-L271 CarbonylContact O-C 3.45Å; S268-L271 PolarHBondContact O-N 3.48Å; S268-L271 VanDerWaalsContact O-N 3.14Å; S268-A272 WeakPolarHBondContact O-CB 3.5Å; S268-A272 PolarHBondContact O-N 3.44Å |
| 269 | S | 75.3 | Confident | 76.1 | Confident | 77 Ų | 77 | 68 Ų | 68 | 54% | 0.538 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 177.2 | -59.7 | 0 | 0 | 0 | 0 | 113 | N267 Q273 | N267-S269 VanDerWaalsContact C-N 3.28Å; N267-S269 PolarHBondContact O-N 3.47Å; N267-S269 PolarHBondContact OD1-N 2.93Å; S269-Q273 WeakPolarHBondContact O-CB 3.34Å; S269-Q273 PolarHBondContact O-N 3.37Å |
| 270 | Y | 76.3 | Confident | 76.1 | Confident | 127 Ų | 127 | 65 Ų | 65 | 50% | 0.498 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -75.1 | -35.4 | 173.6 | -67.7 | -49.4 | 0 | 0 | 0 | 111.9 | I245 N267 S268 Q273 H274 | I245-Y270 HydrophobicContact CG2-CE2 4.05Å; N267-Y270 HydrophobicContact CB-CD2 3.86Å; N267-Y270 HydrophobicContact CB-CE2 4.45Å; N267-Y270 PolarHBondContact O-N 3.46Å; S268-Y270 VanDerWaalsContact C-N 3.32Å; S268-Y270 PolarHBondContact O-N 3.35Å; Y270-Q273 PolarHBondContact O-N 2.96Å; Y270-H274 WeakPolarHBondContact O-CB 3.44Å; Y270-H274 PolarHBondContact O-N 3.44Å |
| 271 | L | 78.9 | Confident | 76.1 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 170.9 | 172.7 | 60.5 | 0 | 0 | 0 | 111.3 | H256 K257 C258 F265 N267 S268 Q273 H274 I275 | H256-L271 HydrophobicContact CB-CB 3.99Å; H256-L271 HydrophobicContact CB-CD2 3.76Å; H256-L271 HydrophobicContact CB-CG 4.48Å; K257-L271 WeakPolarHBondContact O-CD2 3.43Å; C258-L271 HydrophobicContact CB-CD1 3.8Å; F265-L271 HydrophobicContact CB-CB 4.25Å; F265-L271 HydrophobicContact CD2-CB 4.1Å; F265-L271 HydrophobicContact CD2-CD1 3.9Å; F265-L271 HydrophobicContact CE2-CD1 4.19Å; F265-L271 HydrophobicContact CG-CB 4.32Å; N267-L271 PolarHBondContact O-N 3.31Å; N267-L271 VanDerWaalsContact O-N 3.15Å; S268-L271 CarbonylContact O-C 3.45Å; S268-L271 PolarHBondContact O-N 3.48Å; S268-L271 VanDerWaalsContact O-N 3.14Å; L271-Q273 VanDerWaalsContact C-N 3.31Å; L271-Q273 PolarHBondContact O-N 2.95Å; L271-H274 CarbonylContact O-C 3.58Å; L271-H274 WeakPolarHBondContact O-CA 3.47Å; L271-H274 WeakPolarHBondContact O-CB 3.34Å; L271-H274 PolarHBondContact O-N 2.95Å; L271-I275 HydrophobicContact CD1-CD1 3.86Å; L271-I275 HydrophobicContact CD1-CG1 3.88Å; L271-I275 HydrophobicContact CD2-CD1 4.37Å; L271-I275 HydrophobicContact CG-CD1 3.8Å; L271-I275 HydrophobicContact CG-CG1 4.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.37Å; L271-I275 PolarHBondContact O-N 2.9Å |
| 272 | A | 77.3 | Confident | 76.1 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 47% | 0.471 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S268 H274 | S268-A272 WeakPolarHBondContact O-CB 3.5Å; S268-A272 PolarHBondContact O-N 3.44Å; A272-H274 VanDerWaalsContact C-N 3.33Å |
| 273 | Q | 78.8 | Confident | 76.3 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -35.1 | 170.4 | -168.5 | -176.9 | 89.2 | 0 | 0 | 112.5 | S269 Y270 L271 Q295 | S269-Q273 WeakPolarHBondContact O-CB 3.34Å; S269-Q273 PolarHBondContact O-N 3.37Å; Y270-Q273 PolarHBondContact O-N 2.96Å; L271-Q273 VanDerWaalsContact C-N 3.31Å; L271-Q273 PolarHBondContact O-N 2.95Å; Q273-Q295 HydrophobicContact CG-CG 4.32Å |
| 274 | H | 80.8 | Confident | 76.6 | Confident | 20 Ų | 20 | 60.3 Ų | 60.3 | 9% | 0.093 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74 | -36.2 | 176.2 | -179.7 | 61.6 | 0 | 0 | 0 | 113.5 | C258 C261 F265 Y270 L271 A272 R276 I277 H278 | C258-H274 VanDerWaalsContact SG-CD2 3.57Å; C261-H274 PolarHBondContact SG-NE2 2.96Å; F265-H274 HydrophobicContact CE1-CB 4Å; F265-H274 HydrophobicContact CE2-CB 3.87Å; F265-H274 AromaticContact CE2-CD2 3.38Å; F265-H274 WeakPolarHBondContact CE2-CD2 3.45Å; F265-H274 AromaticContact CE2-CG 3.64Å; F265-H274 HydrophobicContact CZ-CB 3.51Å; F265-H274 AromaticContact CZ-CD2 3.44Å; F265-H274 VanDerWaalsContact CZ-CD2 3.44Å; F265-H274 WeakPolarHBondContact CZ-CD2 3.42Å; F265-H274 AromaticContact CZ-CG 3.25Å; F265-H274 AromaticContact CZ-ND1 3.79Å; Y270-H274 WeakPolarHBondContact O-CB 3.44Å; Y270-H274 PolarHBondContact O-N 3.44Å; L271-H274 CarbonylContact O-C 3.58Å; L271-H274 WeakPolarHBondContact O-CA 3.47Å; L271-H274 WeakPolarHBondContact O-CB 3.34Å; L271-H274 PolarHBondContact O-N 2.95Å; A272-H274 VanDerWaalsContact C-N 3.33Å; H274-R276 PolarHBondContact O-N 3.37Å; H274-I277 WeakPolarHBondContact O-CA 3.5Å; H274-I277 WeakPolarHBondContact O-CB 3.34Å; H274-I277 WeakPolarHBondContact O-CG1 3.35Å; H274-I277 PolarHBondContact O-N 3.37Å; H274-H278 AromaticContact CD2-NE2 3.8Å; H274-H278 AromaticContact CE1-NE2 3.72Å; H274-H278 AromaticContact NE2-CD2 3.86Å; H274-H278 AromaticContact NE2-NE2 3.07Å; H274-H278 PolarHBondContact NE2-NE2 3.43Å |
| 275 | I | 79.6 | Confident | 76.9 | Confident | 52 Ų | 52 | 61 Ų | 61 | 27% | 0.267 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 178.2 | -71.6 | 166.7 | 0 | 0 | 0 | 111.2 | L271 I277 H278 S279 | L271-I275 HydrophobicContact CD1-CD1 3.86Å; L271-I275 HydrophobicContact CD1-CG1 3.88Å; L271-I275 HydrophobicContact CD2-CD1 4.37Å; L271-I275 HydrophobicContact CG-CD1 3.8Å; L271-I275 HydrophobicContact CG-CG1 4.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.37Å; L271-I275 PolarHBondContact O-N 2.9Å; I275-I277 PolarHBondContact O-N 3.26Å; I275-H278 PolarHBondContact O-N 2.96Å; I275-S279 PolarHBondContact O-N 3.42Å; I275-S279 PolarHBondContact O-OG 3.44Å |
| 276 | R | 81.2 | Confident | 77.1 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.3 | -12.3 | 169.5 | -70.3 | -174.4 | -79.9 | -167.3 | -7.6 | 114.4 | H274 A281 R294 | H274-R276 PolarHBondContact O-N 3.37Å; R276-A281 HydrophobicContact CG-CB 4.29Å; R276-R294 PolarHBondContact NH1-O 2.87Å; R276-R294 WeakPolarHBondContact O-CD 3.43Å; R276-R294 PolarHBondContact O-NE 2.95Å |
| 277 | I | 77.3 | Confident | 77.4 | Confident | 83 Ų | 83 | 65.7 Ų | 65.7 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.7 | -45 | 169.7 | -56.6 | -172.8 | 0 | 0 | 0 | 110.8 | H274 I275 R294 | H274-I277 WeakPolarHBondContact O-CA 3.5Å; H274-I277 WeakPolarHBondContact O-CB 3.34Å; H274-I277 WeakPolarHBondContact O-CG1 3.35Å; H274-I277 PolarHBondContact O-N 3.37Å; I275-I277 PolarHBondContact O-N 3.26Å; I277-R294 PolarHBondContact O-NH2 3.45Å |
| 278 | H | 75.1 | Confident | 77.4 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -75.4 | -47 | -178.1 | -59.6 | -69.8 | 0 | 0 | 0 | 112.4 | C258 H260 C261 H274 I275 G280 | C258-H278 VanDerWaalsContact SG-CD2 3.58Å; C258-H278 PolarHBondContact SG-NE2 2.96Å; C258-H278 VanDerWaalsContact SG-NE2 3.41Å; H260-H278 HydrophobicContact CB-CB 4.1Å; H260-H278 AromaticContact CD2-CG 3.98Å; C261-H278 PolarHBondContact SG-NE2 2.95Å; H274-H278 AromaticContact CD2-NE2 3.8Å; H274-H278 AromaticContact CE1-NE2 3.72Å; H274-H278 AromaticContact NE2-CD2 3.86Å; H274-H278 AromaticContact NE2-NE2 3.07Å; H274-H278 PolarHBondContact NE2-NE2 3.43Å; I275-H278 PolarHBondContact O-N 2.96Å; H278-G280 PolarHBondContact O-N 2.95Å; H278-G280 VanDerWaalsContact O-N 3.08Å |
| 279 | S | 75.8 | Confident | 77.5 | Confident | 78 Ų | 78 | 70.2 Ų | 70.2 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 2.8 | 179 | 65 | 0 | 0 | 0 | 0 | 114.4 | I275 A281 | I275-S279 PolarHBondContact O-N 3.42Å; I275-S279 PolarHBondContact O-OG 3.44Å; S279-A281 PolarHBondContact O-N 3.33Å |
| 280 | G | 72.6 | Confident | 77.7 | Confident | 36 Ų | 36 | 76 Ų | 76 | 37% | 0.371 | 40% | 0.403 | S | S | . | . | trans | 66.9 | -14.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | H278 K282 | H278-G280 PolarHBondContact O-N 2.95Å; H278-G280 VanDerWaalsContact O-N 3.08Å; G280-K282 WeakPolarHBondContact O-CG 3.42Å; G280-K282 PolarHBondContact O-N 3.39Å | ||
| 281 | A | 73.8 | Confident | 77.8 | Confident | 39 Ų | 39 | 75.6 Ų | 75.6 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | trans | -55.2 | 123.2 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R276 S279 | R276-A281 HydrophobicContact CG-CB 4.29Å; S279-A281 PolarHBondContact O-N 3.33Å | ||
| 282 | K | 79.3 | Confident | 78 | Confident | 119 Ų | 119 | 76.4 Ų | 76.4 | 52% | 0.517 | 41% | 0.412 | S | S | . | . | trans | -122.8 | 79.9 | -179.2 | -71.5 | 153.4 | 168.5 | -178.3 | 0 | 109.8 | G280 Y284 S292 F293 R294 | G280-K282 WeakPolarHBondContact O-CG 3.42Å; G280-K282 PolarHBondContact O-N 3.39Å; K282-Y284 PolarHBondContact O-N 2.98Å; K282-Y284 VanDerWaalsContact O-N 3.07Å; K282-S292 VanDerWaalsContact CD-O 3.26Å; K282-S292 WeakPolarHBondContact CD-O 3.5Å; K282-S292 WeakPolarHBondContact CG-O 3.27Å; K282-F293 CarbonylContact C-O 3.28Å; K282-F293 VanDerWaalsContact CA-O 3.26Å; K282-F293 WeakPolarHBondContact CA-O 3.49Å; K282-R294 HydrophobicContact CG-CG 4.17Å | ||
| 283 | P | 79.8 | Confident | 78.2 | Confident | 76 Ų | 76 | 76 Ų | 76 | 49% | 0.494 | 40% | 0.399 | S | S | . | . | trans | -68.6 | -8.7 | -170.8 | -20.7 | 34.5 | 0 | 0 | 0 | 115.1 | ||||
| 284 | Y | 78.6 | Confident | 78.3 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 31% | 0.306 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 82.1 | -173.3 | -51.8 | -74.8 | 0 | 0 | 0 | 109.5 | K282 S292 F293 L296 | K282-Y284 PolarHBondContact O-N 2.98Å; K282-Y284 VanDerWaalsContact O-N 3.07Å; Y284-S292 WeakPolarHBondContact O-CA 3.49Å; Y284-F293 PolarHBondContact N-O 3.36Å; Y284-F293 PolarHBondContact O-N 2.82Å; Y284-L296 HydrophobicContact CD1-CB 4.04Å; Y284-L296 HydrophobicContact CD1-CD1 4Å; Y284-L296 HydrophobicContact CE1-CB 3.91Å; Y284-L296 HydrophobicContact CE1-CD1 4.4Å; Y284-L296 HydrophobicContact CE2-CB 4.48Å; Y284-L296 HydrophobicContact CG-CB 4.39Å |
| 285 | S | 80.4 | Confident | 78.3 | Confident | 67 Ų | 67 | 78.5 Ų | 78.5 | 47% | 0.469 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 156.3 | 171.1 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | S292 L299 | S285-S292 WeakPolarHBondContact CA-OG 2.88Å; S285-S292 WeakPolarHBondContact CB-OG 3.27Å; S285-L299 WeakPolarHBondContact O-CD1 3.35Å; S285-L299 WeakPolarHBondContact O-CD2 3.36Å |
| 286 | C | 81.2 | Confident | 78.3 | Confident | 10 Ų | 10 | 80 Ų | 80 | 7% | 0.068 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 130.3 | 169.4 | -165.1 | 0 | 0 | 0 | 0 | 110.1 | F288 C289 K291 L299 H306 | C286-F288 PolarHBondContact O-N 3.28Å; C286-C289 WeakPolarHBondContact CB-O 3.37Å; C286-K291 WeakPolarHBondContact CB-O 3.42Å; C286-K291 PolarHBondContact N-O 2.89Å; C286-L299 HydrophobicContact CB-CD1 3.71Å; C286-H306 PolarHBondContact SG-CD2 2.93Å |
| 287 | N | 76.8 | Confident | 78.1 | Confident | 149 Ų | 149 | 79.9 Ų | 79.9 | 80% | 0.797 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -8.4 | -179.8 | -59.5 | 13.1 | 0 | 0 | 0 | 112.9 | ||
| 288 | F | 71.9 | Confident | 78.3 | Confident | 145 Ų | 145 | 79.8 Ų | 79.8 | 64% | 0.636 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -8.9 | -176.9 | -55.8 | -72.8 | 0 | 0 | 0 | 113.7 | C286 H306 | C286-F288 PolarHBondContact O-N 3.28Å; F288-H306 HydrophobicContact CB-CB 3.88Å; F288-H306 VanDerWaalsContact CB-CG 3.49Å; F288-H306 HydrophobicContact CD2-CB 4.03Å; F288-H306 HydrophobicContact CG-CB 4Å |
| 289 | C | 78.1 | Confident | 78.6 | Confident | 41 Ų | 41 | 77.3 Ų | 77.3 | 28% | 0.277 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 165.1 | 165.5 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | C286 K291 H302 H306 | C286-C289 WeakPolarHBondContact CB-O 3.37Å; C289-K291 PolarHBondContact O-N 3.32Å; C289-H302 PolarHBondContact SG-NE2 3.46Å; C289-H302 VanDerWaalsContact SG-NE2 3.4Å; C289-H306 PolarHBondContact SG-CE1 3.32Å; C289-H306 PolarHBondContact SG-NE2 3.29Å |
| 290 | E | 79.4 | Confident | 78.8 | Confident | 199 Ų | 199 | 78.6 Ų | 78.6 | 93% | 0.93 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 6.1 | -177.6 | -58.8 | 168.3 | -174.6 | 0 | 0 | 116.5 | S292 | E290-S292 PolarHBondContact O-N 3.4Å |
| 291 | K | 77.1 | Confident | 78.9 | Confident | 119 Ų | 119 | 80.3 Ų | 80.3 | 52% | 0.517 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 104.8 | -177.7 | -66.8 | 176.2 | -175.9 | 169.9 | 0 | 110.5 | C286 C289 F293 | C286-K291 WeakPolarHBondContact CB-O 3.42Å; C286-K291 PolarHBondContact N-O 2.89Å; C289-K291 PolarHBondContact O-N 3.32Å; K291-F293 HydrophobicContact CB-CE2 3.92Å; K291-F293 HydrophobicContact CB-CZ 4.11Å; K291-F293 WeakPolarHBondContact O-CD2 3.34Å; K291-F293 WeakPolarHBondContact O-CE2 3.24Å |
| 292 | S | 83.2 | Confident | 79.2 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 143.1 | 173.6 | -49.7 | 0 | 0 | 0 | 0 | 113 | K282 Y284 S285 E290 | K282-S292 VanDerWaalsContact CD-O 3.26Å; K282-S292 WeakPolarHBondContact CD-O 3.5Å; K282-S292 WeakPolarHBondContact CG-O 3.27Å; Y284-S292 WeakPolarHBondContact O-CA 3.49Å; S285-S292 WeakPolarHBondContact CA-OG 2.88Å; S285-S292 WeakPolarHBondContact CB-OG 3.27Å; E290-S292 PolarHBondContact O-N 3.4Å |
| 293 | F | 82.3 | Confident | 78.8 | Confident | 49 Ų | 49 | 75.8 Ų | 75.8 | 22% | 0.215 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 154.6 | -170.6 | -63.5 | -92.3 | 0 | 0 | 0 | 112.8 | K282 Y284 K291 H298 L299 H302 | K282-F293 CarbonylContact C-O 3.28Å; K282-F293 VanDerWaalsContact CA-O 3.26Å; K282-F293 WeakPolarHBondContact CA-O 3.49Å; Y284-F293 PolarHBondContact N-O 3.36Å; Y284-F293 PolarHBondContact O-N 2.82Å; K291-F293 HydrophobicContact CB-CE2 3.92Å; K291-F293 HydrophobicContact CB-CZ 4.11Å; K291-F293 WeakPolarHBondContact O-CD2 3.34Å; K291-F293 WeakPolarHBondContact O-CE2 3.24Å; F293-H298 HydrophobicContact CB-CB 4.38Å; F293-H298 HydrophobicContact CD1-CB 3.89Å; F293-H298 HydrophobicContact CG-CB 4.39Å; F293-L299 HydrophobicContact CB-CB 4.38Å; F293-L299 HydrophobicContact CD2-CB 4.2Å; F293-L299 HydrophobicContact CD2-CD1 3.97Å; F293-L299 HydrophobicContact CE2-CD1 4.31Å; F293-L299 HydrophobicContact CG-CB 4.45Å; F293-H302 HydrophobicContact CE1-CB 4.11Å; F293-H302 HydrophobicContact CE2-CB 3.71Å; F293-H302 AromaticContact CE2-CD2 3.26Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.44Å; F293-H302 AromaticContact CE2-CG 3.54Å; F293-H302 HydrophobicContact CZ-CB 3.46Å; F293-H302 VanDerWaalsContact CZ-CB 3.46Å; F293-H302 AromaticContact CZ-CD2 3.47Å; F293-H302 VanDerWaalsContact CZ-CD2 3.47Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.23Å; F293-H302 AromaticContact CZ-CG 3.3Å; F293-H302 AromaticContact CZ-ND1 3.92Å |
| 294 | R | 80.9 | Confident | 78.4 | Confident | 89 Ų | 89 | 77.9 Ų | 77.9 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -83.7 | -10.9 | 178 | -63.2 | -178.5 | 168.4 | 135.1 | -6.3 | 114 | R276 I277 K282 | R276-R294 PolarHBondContact NH1-O 2.87Å; R276-R294 WeakPolarHBondContact O-CD 3.43Å; R276-R294 PolarHBondContact O-NE 2.95Å; I277-R294 PolarHBondContact O-NH2 3.45Å; K282-R294 HydrophobicContact CG-CG 4.17Å |
| 295 | Q | 80.7 | Confident | 77.8 | Confident | 47 Ų | 47 | 79.1 Ų | 79.1 | 22% | 0.22 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -143.9 | 142.2 | -177.7 | -55.9 | -178.2 | 13.6 | 0 | 0 | 110.4 | Q273 S297 H298 L299 | Q273-Q295 HydrophobicContact CG-CG 4.32Å; Q295-S297 PolarHBondContact O-N 2.96Å; Q295-S297 PolarHBondContact OE1-OG 3.47Å; Q295-H298 VanDerWaalsContact CD-CE1 3.45Å; Q295-H298 PolarHBondContact O-N 3Å; Q295-H298 PolarHBondContact OE1-CE1 2.95Å; Q295-H298 VanDerWaalsContact OE1-CE1 3.26Å; Q295-L299 PolarHBondContact O-N 3.4Å |
| 296 | L | 79.1 | Confident | 77 | Confident | 82 Ų | 82 | 77.8 Ų | 77.8 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 178.8 | -178.2 | 59.7 | 0 | 0 | 0 | 112.6 | Y284 H298 L299 Q300 | Y284-L296 HydrophobicContact CD1-CB 4.04Å; Y284-L296 HydrophobicContact CD1-CD1 4Å; Y284-L296 HydrophobicContact CE1-CB 3.91Å; Y284-L296 HydrophobicContact CE1-CD1 4.4Å; Y284-L296 HydrophobicContact CE2-CB 4.48Å; Y284-L296 HydrophobicContact CG-CB 4.39Å; L296-H298 VanDerWaalsContact C-N 3.3Å; L296-H298 PolarHBondContact O-N 2.96Å; L296-L299 HydrophobicContact CD1-CD2 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.33Å; L296-L299 PolarHBondContact O-N 3.33Å; L296-L299 VanDerWaalsContact O-N 3.12Å; L296-Q300 HydrophobicContact CD1-CG 4.4Å; L296-Q300 HydrophobicContact CG-CG 4.39Å; L296-Q300 WeakPolarHBondContact O-CG 3.26Å; L296-Q300 PolarHBondContact O-N 3.11Å |
| 297 | S | 77.8 | Confident | 75.8 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55.8 | -41.6 | 174.3 | 50 | 0 | 0 | 0 | 0 | 112.9 | Q295 Q300 Q301 | Q295-S297 PolarHBondContact O-N 2.96Å; Q295-S297 PolarHBondContact OE1-OG 3.47Å; S297-Q300 PolarHBondContact O-N 3.35Å; S297-Q301 PolarHBondContact O-N 3.17Å |
| 298 | H | 81 | Confident | 74.6 | Confident | 81 Ų | 81 | 79 Ų | 79 | 38% | 0.375 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 176.3 | -63.6 | 147.7 | 0 | 0 | 0 | 112.2 | F293 Q295 L296 Q301 H302 | F293-H298 HydrophobicContact CB-CB 4.38Å; F293-H298 HydrophobicContact CD1-CB 3.89Å; F293-H298 HydrophobicContact CG-CB 4.39Å; Q295-H298 VanDerWaalsContact CD-CE1 3.45Å; Q295-H298 PolarHBondContact O-N 3Å; Q295-H298 PolarHBondContact OE1-CE1 2.95Å; Q295-H298 VanDerWaalsContact OE1-CE1 3.26Å; L296-H298 VanDerWaalsContact C-N 3.3Å; L296-H298 PolarHBondContact O-N 2.96Å; H298-Q301 PolarHBondContact O-N 3.05Å; H298-H302 WeakPolarHBondContact O-CB 3.49Å; H298-H302 PolarHBondContact O-N 3.32Å |
| 299 | L | 81.6 | Confident | 73.5 | Confident | 23 Ų | 23 | 79.4 Ų | 79.4 | 12% | 0.12 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63 | -46.7 | 170.2 | 175.3 | 62.7 | 0 | 0 | 0 | 111 | S285 C286 F293 Q295 L296 Q301 H302 T303 | S285-L299 WeakPolarHBondContact O-CD1 3.35Å; S285-L299 WeakPolarHBondContact O-CD2 3.36Å; C286-L299 HydrophobicContact CB-CD1 3.71Å; F293-L299 HydrophobicContact CB-CB 4.38Å; F293-L299 HydrophobicContact CD2-CB 4.2Å; F293-L299 HydrophobicContact CD2-CD1 3.97Å; F293-L299 HydrophobicContact CE2-CD1 4.31Å; F293-L299 HydrophobicContact CG-CB 4.45Å; Q295-L299 PolarHBondContact O-N 3.4Å; L296-L299 HydrophobicContact CD1-CD2 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.33Å; L296-L299 PolarHBondContact O-N 3.33Å; L296-L299 VanDerWaalsContact O-N 3.12Å; L299-Q301 PolarHBondContact O-N 2.99Å; L299-H302 CarbonylContact O-C 3.53Å; L299-H302 WeakPolarHBondContact O-CA 3.34Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 3.5Å; L299-T303 HydrophobicContact CD1-CG2 3.94Å; L299-T303 HydrophobicContact CG-CG2 4.26Å; L299-T303 PolarHBondContact O-N 3.08Å; L299-T303 PolarHBondContact O-OG1 3.29Å |
| 300 | Q | 78.8 | Confident | 72.1 | Confident | 104 Ų | 104 | 85.6 Ų | 85.6 | 49% | 0.486 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.2 | -24.4 | 176.1 | -70.9 | 170.9 | -25.2 | 0 | 0 | 113.3 | L296 S297 T303 R304 | L296-Q300 HydrophobicContact CD1-CG 4.4Å; L296-Q300 HydrophobicContact CG-CG 4.39Å; L296-Q300 WeakPolarHBondContact O-CG 3.26Å; L296-Q300 PolarHBondContact O-N 3.11Å; S297-Q300 PolarHBondContact O-N 3.35Å; Q300-T303 PolarHBondContact O-OG1 2.81Å; Q300-R304 PolarHBondContact O-NE 3.44Å; Q300-R304 PolarHBondContact O-NH2 2.83Å |
| 301 | Q | 75.1 | Confident | 70.4 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 34% | 0.341 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -76.7 | -34.4 | 168.1 | -171.5 | 178.6 | 3.8 | 0 | 0 | 111.9 | S297 H298 L299 | S297-Q301 PolarHBondContact O-N 3.17Å; H298-Q301 PolarHBondContact O-N 3.05Å; L299-Q301 PolarHBondContact O-N 2.99Å |
| 302 | H | 79.4 | Confident | 69.2 | Low | 19 Ų | 19 | 84.5 Ų | 84.5 | 9% | 0.088 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -77.6 | -38.6 | 179.9 | -179 | 55.3 | 0 | 0 | 0 | 113.9 | C289 F293 H298 L299 R304 I305 H306 | C289-H302 PolarHBondContact SG-NE2 3.46Å; C289-H302 VanDerWaalsContact SG-NE2 3.4Å; F293-H302 HydrophobicContact CE1-CB 4.11Å; F293-H302 HydrophobicContact CE2-CB 3.71Å; F293-H302 AromaticContact CE2-CD2 3.26Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.44Å; F293-H302 AromaticContact CE2-CG 3.54Å; F293-H302 HydrophobicContact CZ-CB 3.46Å; F293-H302 VanDerWaalsContact CZ-CB 3.46Å; F293-H302 AromaticContact CZ-CD2 3.47Å; F293-H302 VanDerWaalsContact CZ-CD2 3.47Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.23Å; F293-H302 AromaticContact CZ-CG 3.3Å; F293-H302 AromaticContact CZ-ND1 3.92Å; H298-H302 WeakPolarHBondContact O-CB 3.49Å; H298-H302 PolarHBondContact O-N 3.32Å; L299-H302 CarbonylContact O-C 3.53Å; L299-H302 WeakPolarHBondContact O-CA 3.34Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 3.5Å; H302-R304 PolarHBondContact O-N 3.06Å; H302-I305 WeakPolarHBondContact O-CA 3.48Å; H302-I305 WeakPolarHBondContact O-CB 3.37Å; H302-I305 WeakPolarHBondContact O-CG1 3.24Å; H302-I305 PolarHBondContact O-N 3.24Å; H302-H306 AromaticContact CD2-NE2 3.73Å; H302-H306 AromaticContact CE1-NE2 3.48Å; H302-H306 PolarHBondContact CE1-NE2 3.49Å; H302-H306 AromaticContact NE2-CD2 3.7Å; H302-H306 AromaticContact NE2-CE1 3.99Å; H302-H306 AromaticContact NE2-NE2 2.98Å; H302-H306 PolarHBondContact NE2-NE2 2.76Å |
| 303 | T | 72.4 | Confident | 67.8 | Low | 44 Ų | 44 | 86.8 Ų | 86.8 | 27% | 0.27 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -30.8 | 176.7 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | L299 Q300 I305 H306 S307 | L299-T303 HydrophobicContact CD1-CG2 3.94Å; L299-T303 HydrophobicContact CG-CG2 4.26Å; L299-T303 PolarHBondContact O-N 3.08Å; L299-T303 PolarHBondContact O-OG1 3.29Å; Q300-T303 PolarHBondContact O-OG1 2.81Å; T303-I305 PolarHBondContact O-N 3.46Å; T303-I305 VanDerWaalsContact O-N 3.12Å; T303-H306 PolarHBondContact O-N 3.4Å; T303-S307 PolarHBondContact O-N 3.46Å |
| 304 | R | 70.6 | Confident | 66.4 | Low | 120 Ų | 120 | 92.2 Ų | 92.2 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.7 | -5.9 | 169.2 | -74.4 | -178.7 | -75.9 | 164.6 | -9.3 | 115 | Q300 H302 S307 A327 | Q300-R304 PolarHBondContact O-NE 3.44Å; Q300-R304 PolarHBondContact O-NH2 2.83Å; H302-R304 PolarHBondContact O-N 3.06Å; R304-S307 WeakPolarHBondContact CA-OG 3.23Å; R304-A327 PolarHBondContact NH1-O 3.18Å |
| 305 | I | 66.8 | Low | 65.4 | Low | 103 Ų | 103 | 91.5 Ų | 91.5 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -90.7 | -33.3 | 169.5 | -51.1 | -179.7 | 0 | 0 | 0 | 110.3 | H302 T303 K308 | H302-I305 WeakPolarHBondContact O-CA 3.48Å; H302-I305 WeakPolarHBondContact O-CB 3.37Å; H302-I305 WeakPolarHBondContact O-CG1 3.24Å; H302-I305 PolarHBondContact O-N 3.24Å; T303-I305 PolarHBondContact O-N 3.46Å; T303-I305 VanDerWaalsContact O-N 3.12Å; I305-K308 WeakPolarHBondContact O-CB 3.43Å; I305-K308 PolarHBondContact O-N 2.97Å |
| 306 | H | 62.3 | Low | 64.7 | Low | 40 Ų | 40 | 93.4 Ų | 93.4 | 19% | 0.185 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -76.4 | -38.5 | 176.7 | -66.4 | -66.4 | 0 | 0 | 0 | 112.4 | C286 F288 C289 H302 T303 K308 M309 | C286-H306 PolarHBondContact SG-CD2 2.93Å; F288-H306 HydrophobicContact CB-CB 3.88Å; F288-H306 VanDerWaalsContact CB-CG 3.49Å; F288-H306 HydrophobicContact CD2-CB 4.03Å; F288-H306 HydrophobicContact CG-CB 4Å; C289-H306 PolarHBondContact SG-CE1 3.32Å; C289-H306 PolarHBondContact SG-NE2 3.29Å; H302-H306 AromaticContact CD2-NE2 3.73Å; H302-H306 AromaticContact CE1-NE2 3.48Å; H302-H306 PolarHBondContact CE1-NE2 3.49Å; H302-H306 AromaticContact NE2-CD2 3.7Å; H302-H306 AromaticContact NE2-CE1 3.99Å; H302-H306 AromaticContact NE2-NE2 2.98Å; H302-H306 PolarHBondContact NE2-NE2 2.76Å; T303-H306 PolarHBondContact O-N 3.4Å; H306-K308 PolarHBondContact O-N 3.36Å; H306-M309 PolarHBondContact O-N 2.74Å |
| 307 | S | 56.3 | Low | 64.3 | Low | 62 Ų | 62 | 92 Ų | 92 | 43% | 0.434 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -3.8 | 170.4 | 72.7 | 0 | 0 | 0 | 0 | 113.7 | T303 R304 M309 | T303-S307 PolarHBondContact O-N 3.46Å; R304-S307 WeakPolarHBondContact CA-OG 3.23Å; S307-M309 VanDerWaalsContact C-N 3.35Å |
| 308 | K | 52.5 | Low | 64.4 | Low | 121 Ų | 121 | 96 Ų | 96 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.8 | 174.8 | -160.9 | -131.4 | 168.7 | -156.9 | 0 | 112.9 | I305 H306 | I305-K308 WeakPolarHBondContact O-CB 3.43Å; I305-K308 PolarHBondContact O-N 2.97Å; H306-K308 PolarHBondContact O-N 3.36Å |
| 309 | M | 49 | Very low | 64.6 | Low | 154 Ų | 154 | 92.2 Ų | 92.2 | 76% | 0.759 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -17.4 | 177.3 | -73.3 | -168.1 | 64.1 | 0 | 0 | 115 | H306 S307 | H306-M309 PolarHBondContact O-N 2.74Å; S307-M309 VanDerWaalsContact C-N 3.35Å |
| 310 | H | 48.3 | Very low | 64.5 | Low | 171 Ų | 171 | 95.8 Ų | 95.8 | 79% | 0.792 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125 | -9.7 | -173.5 | -71.4 | -69.9 | 0 | 0 | 0 | 116.1 | ||
| 311 | T | 44.2 | Very low | 64.6 | Low | 106 Ų | 106 | 96.9 Ų | 96.9 | 65% | 0.65 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -142.1 | 150.1 | 171.2 | 51.3 | 0 | 0 | 0 | 0 | 112 | T313 | T311-T313 PolarHBondContact O-N 3.47Š|
| 312 | E | 50.5 | Low | 65 | Low | 189 Ų | 189 | 95 Ų | 95 | 88% | 0.883 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -73.2 | 83.6 | -175.8 | -70.3 | -113.2 | 122.8 | 0 | 0 | 112.6 | ||
| 313 | T | 53.8 | Low | 65.1 | Low | 88 Ų | 88 | 99.2 Ų | 99.2 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | trans | 51.4 | 72.3 | 150.4 | 55 | 0 | 0 | 0 | 0 | 119.1 | T311 K315 | T311-T313 PolarHBondContact O-N 3.47Å; T313-K315 PolarHBondContact O-N 3.45Å | ||
| 314 | I | 53.7 | Low | 65.3 | Low | 162 Ų | 162 | 102.4 Ų | 102.4 | 83% | 0.831 | 53% | 0.525 | S | S | * | . | trans | -80.1 | 75.9 | 145 | -53.8 | 179.8 | 0 | 0 | 0 | 109 | P316 | I314-P316 WeakPolarHBondContact O-CD 3.49Š| ||
| 315 | K | 59.7 | Low | 65.7 | Low | 74 Ų | 74 | 98.8 Ų | 98.8 | 32% | 0.322 | 52% | 0.517 | S | S | . | . | trans | -99.5 | 92.7 | 158.8 | -75.7 | 174 | 166.3 | -167.7 | 0 | 107.1 | T313 H317 T325 | T313-K315 PolarHBondContact O-N 3.45Å; K315-H317 PolarHBondContact O-N 3.23Å; K315-T325 WeakPolarHBondContact CD-O 3.35Å; K315-T325 WeakPolarHBondContact CD-OG1 3.4Å; K315-T325 PolarHBondContact NZ-O 3.27Å; K315-T325 PolarHBondContact NZ-OG1 3.15Å; K315-T325 VanDerWaalsContact NZ-OG1 3.15Å | ||
| 316 | P | 65.3 | Low | 66.2 | Low | 87 Ų | 87 | 95.9 Ų | 95.9 | 57% | 0.565 | 50% | 0.5 | S | S | * | . | trans | -68 | -8.5 | -162.1 | 24.4 | -33.5 | 0 | 0 | 0 | 115.1 | I314 | I314-P316 WeakPolarHBondContact O-CD 3.49Š| ||
| 317 | H | 71.8 | Confident | 66.8 | Low | 52 Ų | 52 | 96 Ų | 96 | 24% | 0.241 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 83 | -174.7 | -52.9 | -56.7 | 0 | 0 | 0 | 111.1 | K315 F326 N328 T329 L332 | K315-H317 PolarHBondContact O-N 3.23Å; H317-F326 HydrophobicContact CB-CB 4.43Å; H317-F326 PolarHBondContact O-N 3.45Å; H317-N328 WeakPolarHBondContact CD2-CA 3.35Å; H317-T329 PolarHBondContact CD2-N 3.13Å; H317-T329 VanDerWaalsContact CE1-CG2 3.41Å; H317-T329 WeakPolarHBondContact CE1-CG2 3.31Å; H317-L332 HydrophobicContact CB-CB 4.16Å; H317-L332 HydrophobicContact CB-CD2 3.82Å |
| 318 | K | 80.1 | Confident | 67.7 | Low | 143 Ų | 143 | 94.9 Ų | 94.9 | 62% | 0.622 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 143.4 | 170.7 | -170.4 | -171.3 | 172.8 | -174.5 | 0 | 110.5 | T325 L332 | K318-T325 HydrophobicContact CB-CG2 3.96Å; K318-T325 HydrophobicContact CG-CG2 3.95Å; K318-L332 WeakPolarHBondContact O-CD2 3.49Å |
| 319 | C | 84.9 | Confident | 69 | Low | 1 Ų | 1 | 93.2 Ų | 93.2 | 1% | 0.007 | 50% | 0.497 | C | S | . | . | trans | -75.6 | 133.6 | 166.6 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | H321 C322 K324 F326 L332 H335 H339 | C319-H321 VanDerWaalsContact C-N 3.3Å; C319-H321 PolarHBondContact O-N 3.04Å; C319-H321 PolarHBondContact SG-N 3.13Å; C319-C322 WeakPolarHBondContact CB-O 3.3Å; C319-K324 WeakPolarHBondContact CB-O 3.48Å; C319-K324 PolarHBondContact N-O 2.86Å; C319-F326 HydrophobicContact CB-CE2 4.36Å; C319-L332 HydrophobicContact CB-CD1 3.99Å; C319-H335 VanDerWaalsContact SG-CD2 3.58Å; C319-H335 PolarHBondContact SG-NE2 3.23Å; C319-H339 PolarHBondContact SG-NE2 3.01Å | ||
| 320 | P | 78.4 | Confident | 70.5 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 64% | 0.643 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -32.1 | 173.4 | 26 | -33.5 | 0 | 0 | 0 | 112.4 | L336 | P320-L336 HydrophobicContact CG-CD2 4.1Š|
| 321 | H | 80.6 | Confident | 72.1 | Confident | 126 Ų | 126 | 86.8 Ų | 86.8 | 58% | 0.583 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -4.1 | -173.9 | -52.2 | -63.2 | 0 | 0 | 0 | 114.9 | C319 H339 | C319-H321 VanDerWaalsContact C-N 3.3Å; C319-H321 PolarHBondContact O-N 3.04Å; C319-H321 PolarHBondContact SG-N 3.13Å; H321-H339 HydrophobicContact CB-CB 4.23Å; H321-H339 AromaticContact CD2-CG 3.89Å; H321-H339 PolarHBondContact O-CE1 3.43Å |
| 322 | C | 84.5 | Confident | 74 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 22% | 0.223 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -162.3 | 166.4 | 173.3 | 68.8 | 0 | 0 | 0 | 0 | 112.7 | C319 K324 H335 H339 | C319-C322 WeakPolarHBondContact CB-O 3.3Å; C322-K324 PolarHBondContact O-N 3.36Å; C322-H335 PolarHBondContact SG-NE2 3.19Å; C322-H339 WeakPolarHBondContact CB-CE1 3.17Å; C322-H339 PolarHBondContact SG-CE1 3.3Å; C322-H339 PolarHBondContact SG-NE2 2.97Å |
| 323 | S | 80.9 | Confident | 75.5 | Confident | 109 Ų | 109 | 76.6 Ų | 76.6 | 76% | 0.762 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -64.4 | 0 | 179.5 | 53.8 | 0 | 0 | 0 | 0 | 115.8 | T325 | S323-T325 PolarHBondContact O-N 2.87Š|
| 324 | K | 77.4 | Confident | 76.9 | Confident | 110 Ų | 110 | 75.2 Ų | 75.2 | 48% | 0.478 | 41% | 0.413 | S | S | . | . | trans | -77.3 | 123.9 | -176.3 | -61.6 | -170.1 | 179.2 | -171.7 | 0 | 111.6 | C319 C322 F326 | C319-K324 WeakPolarHBondContact CB-O 3.48Å; C319-K324 PolarHBondContact N-O 2.86Å; C322-K324 PolarHBondContact O-N 3.36Å; K324-F326 HydrophobicContact CB-CE2 3.84Å; K324-F326 HydrophobicContact CB-CZ 3.91Å; K324-F326 WeakPolarHBondContact O-CE2 3.02Å | ||
| 325 | T | 77.9 | Confident | 78.5 | Confident | 45 Ų | 45 | 68.4 Ų | 68.4 | 28% | 0.276 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.9 | 178.8 | 44.8 | 0 | 0 | 0 | 0 | 111.7 | K315 K318 S323 | K315-T325 WeakPolarHBondContact CD-O 3.35Å; K315-T325 WeakPolarHBondContact CD-OG1 3.4Å; K315-T325 PolarHBondContact NZ-O 3.27Å; K315-T325 PolarHBondContact NZ-OG1 3.15Å; K315-T325 VanDerWaalsContact NZ-OG1 3.15Å; K318-T325 HydrophobicContact CB-CG2 3.96Å; K318-T325 HydrophobicContact CG-CG2 3.95Å; S323-T325 PolarHBondContact O-N 2.87Å |
| 326 | F | 78.7 | Confident | 79.7 | Confident | 42 Ų | 42 | 67.5 Ų | 67.5 | 18% | 0.184 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.5 | -170.9 | -61.5 | -88.8 | 0 | 0 | 0 | 112.5 | H317 C319 K324 L332 H335 | H317-F326 HydrophobicContact CB-CB 4.43Å; H317-F326 PolarHBondContact O-N 3.45Å; C319-F326 HydrophobicContact CB-CE2 4.36Å; K324-F326 HydrophobicContact CB-CE2 3.84Å; K324-F326 HydrophobicContact CB-CZ 3.91Å; K324-F326 WeakPolarHBondContact O-CE2 3.02Å; F326-L332 HydrophobicContact CB-CB 4.25Å; F326-L332 HydrophobicContact CD2-CB 4.16Å; F326-L332 HydrophobicContact CD2-CD1 3.92Å; F326-L332 HydrophobicContact CE2-CD1 4.21Å; F326-L332 HydrophobicContact CG-CB 4.32Å; F326-H335 HydrophobicContact CE1-CB 3.92Å; F326-H335 HydrophobicContact CE2-CB 3.97Å; F326-H335 AromaticContact CE2-CD2 3.37Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.4Å; F326-H335 AromaticContact CE2-CG 3.64Å; F326-H335 HydrophobicContact CZ-CB 3.52Å; F326-H335 AromaticContact CZ-CD2 3.45Å; F326-H335 VanDerWaalsContact CZ-CD2 3.45Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.34Å; F326-H335 AromaticContact CZ-CG 3.24Å; F326-H335 AromaticContact CZ-ND1 3.7Å |
| 327 | A | 75.1 | Confident | 80.7 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -84.8 | -11.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R304 | R304-A327 PolarHBondContact NH1-O 3.18Š|
| 328 | N | 75.4 | Confident | 81.2 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 20% | 0.198 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -151.5 | 165.3 | 174.3 | 65.4 | 13.1 | 0 | 0 | 0 | 110.7 | H317 S330 Y331 L332 | H317-N328 WeakPolarHBondContact CD2-CA 3.35Å; N328-S330 VanDerWaalsContact C-N 3.32Å; N328-S330 PolarHBondContact O-N 2.95Å; N328-S330 PolarHBondContact OD1-N 3.15Å; N328-Y331 WeakPolarHBondContact ND2-CD2 3.43Å; N328-Y331 VanDerWaalsContact OD1-CB 3.24Å; N328-Y331 WeakPolarHBondContact OD1-CB 3.27Å; N328-Y331 WeakPolarHBondContact OD1-CD2 3.29Å; N328-Y331 VanDerWaalsContact OD1-CG 3.24Å; N328-Y331 PolarHBondContact OD1-N 2.93Å; N328-L332 PolarHBondContact O-N 3.2Å |
| 329 | T | 79.1 | Confident | 81.3 | Confident | 87 Ų | 87 | 64.7 Ų | 64.7 | 53% | 0.534 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.7 | -36.9 | 175.4 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | H317 Y331 L332 A333 | H317-T329 PolarHBondContact CD2-N 3.13Å; H317-T329 VanDerWaalsContact CE1-CG2 3.41Å; H317-T329 WeakPolarHBondContact CE1-CG2 3.31Å; T329-Y331 PolarHBondContact O-N 3.48Å; T329-L332 PolarHBondContact O-N 2.84Å; T329-A333 WeakPolarHBondContact O-CB 3.39Å; T329-A333 PolarHBondContact O-N 2.72Å |
| 330 | S | 79.9 | Confident | 81.2 | Confident | 77 Ų | 77 | 68.7 Ų | 68.7 | 54% | 0.538 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.4 | -41.4 | -175.4 | -41.3 | 0 | 0 | 0 | 0 | 113.4 | N328 Q334 | N328-S330 VanDerWaalsContact C-N 3.32Å; N328-S330 PolarHBondContact O-N 2.95Å; N328-S330 PolarHBondContact OD1-N 3.15Å; S330-Q334 WeakPolarHBondContact O-CB 3.4Å; S330-Q334 PolarHBondContact O-N 2.64Å |
| 331 | Y | 81.8 | Confident | 81.4 | Confident | 112 Ų | 112 | 65.5 Ų | 65.5 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.3 | -33.1 | 174.6 | -65.1 | -47.5 | 0 | 0 | 0 | 111.8 | N328 T329 Q334 H335 | N328-Y331 WeakPolarHBondContact ND2-CD2 3.43Å; N328-Y331 VanDerWaalsContact OD1-CB 3.24Å; N328-Y331 WeakPolarHBondContact OD1-CB 3.27Å; N328-Y331 WeakPolarHBondContact OD1-CD2 3.29Å; N328-Y331 VanDerWaalsContact OD1-CG 3.24Å; N328-Y331 PolarHBondContact OD1-N 2.93Å; T329-Y331 PolarHBondContact O-N 3.48Å; Y331-Q334 PolarHBondContact O-N 3.41Å; Y331-H335 VanDerWaalsContact O-CB 3.28Å; Y331-H335 WeakPolarHBondContact O-CB 3.47Å; Y331-H335 PolarHBondContact O-N 3.29Å |
| 332 | L | 83.8 | Confident | 81.5 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 170.4 | 173.8 | 59.2 | 0 | 0 | 0 | 110.9 | H317 K318 C319 F326 N328 T329 Q334 H335 L336 | H317-L332 HydrophobicContact CB-CB 4.16Å; H317-L332 HydrophobicContact CB-CD2 3.82Å; K318-L332 WeakPolarHBondContact O-CD2 3.49Å; C319-L332 HydrophobicContact CB-CD1 3.99Å; F326-L332 HydrophobicContact CB-CB 4.25Å; F326-L332 HydrophobicContact CD2-CB 4.16Å; F326-L332 HydrophobicContact CD2-CD1 3.92Å; F326-L332 HydrophobicContact CE2-CD1 4.21Å; F326-L332 HydrophobicContact CG-CB 4.32Å; N328-L332 PolarHBondContact O-N 3.2Å; T329-L332 PolarHBondContact O-N 2.84Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.93Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 WeakPolarHBondContact O-CA 3.49Å; L332-H335 WeakPolarHBondContact O-CB 3.35Å; L332-H335 PolarHBondContact O-N 2.86Å; L332-L336 HydrophobicContact CD1-CD1 4.4Å; L332-L336 HydrophobicContact CD1-CD2 4.44Å; L332-L336 HydrophobicContact CD1-CG 4.07Å; L332-L336 HydrophobicContact CG-CD1 4.23Å; L332-L336 HydrophobicContact CG-CG 4.37Å; L332-L336 WeakPolarHBondContact O-CG 3.13Å; L332-L336 PolarHBondContact O-N 3.46Å |
| 333 | A | 82.6 | Confident | 81.6 | Confident | 56 Ų | 56 | 65.1 Ų | 65.1 | 46% | 0.463 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | T329 H335 L336 | T329-A333 WeakPolarHBondContact O-CB 3.39Å; T329-A333 PolarHBondContact O-N 2.72Å; A333-H335 VanDerWaalsContact C-N 3.32Å; A333-H335 PolarHBondContact O-N 2.24Å; A333-L336 PolarHBondContact O-N 3.35Å |
| 334 | Q | 83.9 | Confident | 81.8 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 28% | 0.28 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.5 | -35.4 | 172.1 | 178.2 | 175 | 65.6 | 0 | 0 | 112.7 | S330 Y331 L332 Q356 | S330-Q334 WeakPolarHBondContact O-CB 3.4Å; S330-Q334 PolarHBondContact O-N 2.64Å; Y331-Q334 PolarHBondContact O-N 3.41Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.93Å; Q334-Q356 HydrophobicContact CG-CG 4.43Å |
| 335 | H | 86 | Confident | 82.3 | Confident | 19 Ų | 19 | 62 Ų | 62 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.1 | -35.7 | 176.5 | 172.8 | 66.8 | 0 | 0 | 0 | 113.3 | C319 C322 F326 Y331 L332 A333 R337 I338 H339 | C319-H335 VanDerWaalsContact SG-CD2 3.58Å; C319-H335 PolarHBondContact SG-NE2 3.23Å; C322-H335 PolarHBondContact SG-NE2 3.19Å; F326-H335 HydrophobicContact CE1-CB 3.92Å; F326-H335 HydrophobicContact CE2-CB 3.97Å; F326-H335 AromaticContact CE2-CD2 3.37Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.4Å; F326-H335 AromaticContact CE2-CG 3.64Å; F326-H335 HydrophobicContact CZ-CB 3.52Å; F326-H335 AromaticContact CZ-CD2 3.45Å; F326-H335 VanDerWaalsContact CZ-CD2 3.45Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.34Å; F326-H335 AromaticContact CZ-CG 3.24Å; F326-H335 AromaticContact CZ-ND1 3.7Å; Y331-H335 VanDerWaalsContact O-CB 3.28Å; Y331-H335 WeakPolarHBondContact O-CB 3.47Å; Y331-H335 PolarHBondContact O-N 3.29Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 WeakPolarHBondContact O-CA 3.49Å; L332-H335 WeakPolarHBondContact O-CB 3.35Å; L332-H335 PolarHBondContact O-N 2.86Å; A333-H335 VanDerWaalsContact C-N 3.32Å; A333-H335 PolarHBondContact O-N 2.24Å; H335-R337 PolarHBondContact O-N 3.07Å; H335-I338 WeakPolarHBondContact O-CA 3.49Å; H335-I338 WeakPolarHBondContact O-CB 3.3Å; H335-I338 WeakPolarHBondContact O-CG1 3.47Å; H335-I338 PolarHBondContact O-N 2.8Å; H335-H339 AromaticContact CD2-NE2 3.17Å; H335-H339 PolarHBondContact CD2-NE2 2.78Å; H335-H339 AromaticContact CE1-NE2 2.77Å; H335-H339 PolarHBondContact CE1-NE2 3.45Å; H335-H339 AromaticContact ND1-NE2 3.88Å; H335-H339 AromaticContact NE2-CD2 3.67Å; H335-H339 AromaticContact NE2-NE2 2.13Å; H335-H339 PolarHBondContact NE2-NE2 3.41Å |
| 336 | L | 84.9 | Confident | 82.8 | Confident | 55 Ų | 55 | 64.7 Ų | 64.7 | 29% | 0.288 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.3 | -31.9 | 177.7 | -76.1 | 171.9 | 0 | 0 | 0 | 112.4 | P320 L332 A333 I338 H339 S340 | P320-L336 HydrophobicContact CG-CD2 4.1Å; L332-L336 HydrophobicContact CD1-CD1 4.4Å; L332-L336 HydrophobicContact CD1-CD2 4.44Å; L332-L336 HydrophobicContact CD1-CG 4.07Å; L332-L336 HydrophobicContact CG-CD1 4.23Å; L332-L336 HydrophobicContact CG-CG 4.37Å; L332-L336 WeakPolarHBondContact O-CG 3.13Å; L332-L336 PolarHBondContact O-N 3.46Å; A333-L336 PolarHBondContact O-N 3.35Å; L336-I338 PolarHBondContact O-N 3.02Å; L336-I338 VanDerWaalsContact O-N 3.09Å; L336-H339 PolarHBondContact O-N 2.88Å; L336-S340 PolarHBondContact O-N 2.62Å; L336-S340 PolarHBondContact O-OG 3.45Å |
| 337 | R | 86.1 | Confident | 83.3 | Confident | 58 Ų | 58 | 63 Ų | 63 | 22% | 0.219 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -13.5 | 170.4 | -67.4 | -170.8 | -71.8 | -144.4 | -5.8 | 114.7 | H335 G341 A342 R355 | H335-R337 PolarHBondContact O-N 3.07Å; R337-G341 CarbonylContact O-C 3.51Å; R337-A342 HydrophobicContact CG-CB 4.27Å; R337-A342 PolarHBondContact O-N 3.18Å; R337-R355 VanDerWaalsContact CZ-O 3.29Å; R337-R355 PolarHBondContact NE-O 2.85Å; R337-R355 WeakPolarHBondContact O-CD 3.28Å; R337-R355 PolarHBondContact O-NE 3.24Å |
| 338 | I | 83.5 | Confident | 83.8 | Confident | 78 Ų | 78 | 66 Ų | 66 | 40% | 0.4 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.3 | -53.6 | 169 | -57.8 | -176.1 | 0 | 0 | 0 | 109.3 | H335 L336 G341 R355 | H335-I338 WeakPolarHBondContact O-CA 3.49Å; H335-I338 WeakPolarHBondContact O-CB 3.3Å; H335-I338 WeakPolarHBondContact O-CG1 3.47Å; H335-I338 PolarHBondContact O-N 2.8Å; L336-I338 PolarHBondContact O-N 3.02Å; L336-I338 VanDerWaalsContact O-N 3.09Å; I338-G341 PolarHBondContact O-N 3.48Å; I338-R355 PolarHBondContact O-NH2 3.27Å |
| 339 | H | 82.9 | Confident | 84.2 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 40% | 0.398 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.8 | -47 | -177.9 | -60.5 | -72 | 0 | 0 | 0 | 112.9 | C319 H321 C322 H335 L336 G341 | C319-H339 PolarHBondContact SG-NE2 3.01Å; H321-H339 HydrophobicContact CB-CB 4.23Å; H321-H339 AromaticContact CD2-CG 3.89Å; H321-H339 PolarHBondContact O-CE1 3.43Å; C322-H339 WeakPolarHBondContact CB-CE1 3.17Å; C322-H339 PolarHBondContact SG-CE1 3.3Å; C322-H339 PolarHBondContact SG-NE2 2.97Å; H335-H339 AromaticContact CD2-NE2 3.17Å; H335-H339 PolarHBondContact CD2-NE2 2.78Å; H335-H339 AromaticContact CE1-NE2 2.77Å; H335-H339 PolarHBondContact CE1-NE2 3.45Å; H335-H339 AromaticContact ND1-NE2 3.88Å; H335-H339 AromaticContact NE2-CD2 3.67Å; H335-H339 AromaticContact NE2-NE2 2.13Å; H335-H339 PolarHBondContact NE2-NE2 3.41Å; L336-H339 PolarHBondContact O-N 2.88Å; H339-G341 PolarHBondContact O-N 3.18Å |
| 340 | S | 82.4 | Confident | 84.5 | Confident | 86 Ų | 86 | 68 Ų | 68 | 60% | 0.601 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | 0.8 | 177.8 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | L336 A342 | L336-S340 PolarHBondContact O-N 2.62Å; L336-S340 PolarHBondContact O-OG 3.45Å; S340-A342 PolarHBondContact O-N 2.8Å; S340-A342 WeakPolarHBondContact OG-CB 3.5Å |
| 341 | G | 82.4 | Confident | 84.7 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 33% | 0.33 | 39% | 0.39 | S | S | . | . | trans | 66.1 | -9.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R337 I338 H339 K343 | R337-G341 CarbonylContact O-C 3.51Å; I338-G341 PolarHBondContact O-N 3.48Å; H339-G341 PolarHBondContact O-N 3.18Å; G341-K343 WeakPolarHBondContact O-CG 3.34Å; G341-K343 PolarHBondContact O-N 3.09Å | ||
| 342 | A | 82.1 | Confident | 84.9 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 35% | 0.347 | 40% | 0.396 | S | S | . | . | trans | -58.2 | 117.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R337 S340 P344 | R337-A342 HydrophobicContact CG-CB 4.27Å; R337-A342 PolarHBondContact O-N 3.18Å; S340-A342 PolarHBondContact O-N 2.8Å; S340-A342 WeakPolarHBondContact OG-CB 3.5Å; A342-P344 VanDerWaalsContact O-CD 3.32Å; A342-P344 WeakPolarHBondContact O-CD 3.42Å | ||
| 343 | K | 86.4 | Confident | 85.2 | Confident | 109 Ų | 109 | 74.6 Ų | 74.6 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | trans | -118.3 | 77.9 | -178.9 | -71.4 | 152.9 | 173.8 | 179.1 | 0 | 110.3 | G341 Y345 N346 A353 F354 R355 | G341-K343 WeakPolarHBondContact O-CG 3.34Å; G341-K343 PolarHBondContact O-N 3.09Å; K343-Y345 PolarHBondContact O-N 2.81Å; K343-N346 PolarHBondContact O-OD1 2.84Å; K343-A353 HydrophobicContact CB-CB 3.59Å; K343-A353 HydrophobicContact CD-CB 4.12Å; K343-A353 WeakPolarHBondContact CD-O 3.5Å; K343-A353 HydrophobicContact CG-CB 4.38Å; K343-A353 WeakPolarHBondContact CG-O 3.3Å; K343-F354 CarbonylContact C-O 3.58Å; K343-F354 VanDerWaalsContact C-O 3.28Å; K343-F354 VanDerWaalsContact CA-O 3.28Å; K343-F354 WeakPolarHBondContact CA-O 3.37Å; K343-R355 HydrophobicContact CG-CG 3.9Å | ||
| 344 | P | 85.4 | Confident | 85.4 | Confident | 78 Ų | 78 | 74 Ų | 74 | 51% | 0.506 | 39% | 0.39 | S | S | . | . | trans | -76.5 | 3.3 | -173.4 | 31.2 | -36.1 | 0 | 0 | 0 | 114.8 | A342 | A342-P344 VanDerWaalsContact O-CD 3.32Å; A342-P344 WeakPolarHBondContact O-CD 3.42Å | ||
| 345 | Y | 87.3 | Confident | 85.5 | Confident | 76 Ų | 76 | 75.4 Ų | 75.4 | 30% | 0.298 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 92.1 | -177.1 | -60.4 | -73.6 | 0 | 0 | 0 | 110.7 | K343 F354 Q356 L357 | K343-Y345 PolarHBondContact O-N 2.81Å; Y345-F354 PolarHBondContact N-O 3.2Å; Y345-F354 PolarHBondContact O-N 3.17Å; Y345-Q356 VanDerWaalsContact CD2-C 3.41Å; Y345-L357 HydrophobicContact CD1-CB 3.91Å; Y345-L357 HydrophobicContact CD1-CD1 3.88Å; Y345-L357 HydrophobicContact CD1-CG 4.45Å; Y345-L357 HydrophobicContact CE1-CB 3.7Å; Y345-L357 HydrophobicContact CE1-CD1 4.15Å; Y345-L357 HydrophobicContact CE1-CG 4.34Å; Y345-L357 HydrophobicContact CE2-CB 4.34Å; Y345-L357 HydrophobicContact CG-CB 4.32Å |
| 346 | N | 88.6 | Confident | 85.5 | Confident | 101 Ų | 101 | 76.7 Ų | 76.7 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 145.5 | 179 | -65.2 | 1.4 | 0 | 0 | 0 | 111.1 | K343 A353 L360 | K343-N346 PolarHBondContact O-OD1 2.84Å; N346-A353 WeakPolarHBondContact OD1-CB 3.38Å; N346-L360 VanDerWaalsContact O-CD2 3.27Å; N346-L360 WeakPolarHBondContact O-CD2 3.27Å |
| 347 | C | 89 | Confident | 85.6 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | trans | -82.6 | 137.2 | 169.8 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | C350 K352 F354 L360 H363 H367 | C347-C350 CarbonylContact C-O 3.53Å; C347-C350 WeakPolarHBondContact CB-O 3.47Å; C347-K352 PolarHBondContact N-O 2.8Å; C347-K352 VanDerWaalsContact N-O 3.07Å; C347-F354 HydrophobicContact CB-CE2 4.38Å; C347-L360 HydrophobicContact CB-CD1 3.63Å; C347-H363 VanDerWaalsContact SG-CD2 3.56Å; C347-H367 PolarHBondContact SG-NE2 3.33Å; C347-H367 VanDerWaalsContact SG-NE2 3.41Å | ||
| 348 | S | 86.3 | Confident | 85.5 | Confident | 105 Ų | 105 | 77.8 Ų | 77.8 | 73% | 0.734 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -72.6 | -30.3 | 175.6 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | ||
| 349 | Y | 84.3 | Confident | 85.7 | Confident | 139 Ų | 139 | 78 Ų | 78 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -87.4 | -14.7 | -176.3 | -58.2 | -79.2 | 0 | 0 | 0 | 113.9 | T364 H367 T368 | Y349-T364 HydrophobicContact CD2-CG2 4.41Å; Y349-H367 VanDerWaalsContact CB-CG 3.44Å; Y349-H367 HydrophobicContact CD1-CB 4.33Å; Y349-H367 HydrophobicContact CD2-CB 3.92Å; Y349-H367 HydrophobicContact CG-CB 3.78Å; Y349-H367 AromaticContact CG-CG 3.93Å; Y349-T368 HydrophobicContact CE2-CG2 4.5Å |
| 350 | C | 84.9 | Confident | 86.1 | Confident | 29 Ų | 29 | 75 Ų | 75 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -161.3 | 156 | 170.9 | 70.2 | 0 | 0 | 0 | 0 | 111.3 | C347 K352 H363 H367 | C347-C350 CarbonylContact C-O 3.53Å; C347-C350 WeakPolarHBondContact CB-O 3.47Å; C350-K352 PolarHBondContact O-N 3.02Å; C350-H363 PolarHBondContact SG-NE2 3.01Å; C350-H363 VanDerWaalsContact SG-NE2 3.36Å; C350-H367 WeakPolarHBondContact CB-CE1 3.32Å; C350-H367 PolarHBondContact SG-CE1 2.85Å; C350-H367 PolarHBondContact SG-NE2 3.37Å |
| 351 | Q | 85.3 | Confident | 86.2 | Confident | 188 Ų | 188 | 75.9 Ų | 75.9 | 88% | 0.879 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -71.4 | 31.5 | -175.5 | -54 | -64.7 | 7.6 | 0 | 0 | 114.9 | ||
| 352 | K | 85.3 | Confident | 86.4 | Confident | 129 Ų | 129 | 77.8 Ų | 77.8 | 56% | 0.561 | 40% | 0.395 | S | S | * | . | trans | -90.6 | 120.4 | 174.1 | -66.2 | -174.3 | -171 | -62.1 | 0 | 110.2 | C347 C350 F354 | C347-K352 PolarHBondContact N-O 2.8Å; C347-K352 VanDerWaalsContact N-O 3.07Å; C350-K352 PolarHBondContact O-N 3.02Å; K352-F354 HydrophobicContact CB-CE2 3.89Å; K352-F354 HydrophobicContact CB-CZ 4.14Å; K352-F354 WeakPolarHBondContact O-CD2 3.5Å; K352-F354 VanDerWaalsContact O-CE2 3.3Å; K352-F354 WeakPolarHBondContact O-CE2 3.3Å | ||
| 353 | A | 88.8 | Confident | 86.7 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 28% | 0.281 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 139.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K343 N346 | K343-A353 HydrophobicContact CB-CB 3.59Å; K343-A353 HydrophobicContact CD-CB 4.12Å; K343-A353 WeakPolarHBondContact CD-O 3.5Å; K343-A353 HydrophobicContact CG-CB 4.38Å; K343-A353 WeakPolarHBondContact CG-O 3.3Å; N346-A353 WeakPolarHBondContact OD1-CB 3.38Å |
| 354 | F | 87.5 | Confident | 86.8 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 19% | 0.193 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 148.5 | -173 | -63.6 | -92.2 | 0 | 0 | 0 | 112.7 | K343 Y345 C347 K352 Q356 H359 L360 H363 | K343-F354 CarbonylContact C-O 3.58Å; K343-F354 VanDerWaalsContact C-O 3.28Å; K343-F354 VanDerWaalsContact CA-O 3.28Å; K343-F354 WeakPolarHBondContact CA-O 3.37Å; Y345-F354 PolarHBondContact N-O 3.2Å; Y345-F354 PolarHBondContact O-N 3.17Å; C347-F354 HydrophobicContact CB-CE2 4.38Å; K352-F354 HydrophobicContact CB-CE2 3.89Å; K352-F354 HydrophobicContact CB-CZ 4.14Å; K352-F354 WeakPolarHBondContact O-CD2 3.5Å; K352-F354 VanDerWaalsContact O-CE2 3.3Å; K352-F354 WeakPolarHBondContact O-CE2 3.3Å; F354-Q356 VanDerWaalsContact C-N 3.31Å; F354-Q356 PolarHBondContact O-N 3.45Å; F354-H359 HydrophobicContact CB-CB 4.46Å; F354-H359 HydrophobicContact CD1-CB 3.96Å; F354-L360 HydrophobicContact CB-CB 4.38Å; F354-L360 HydrophobicContact CD2-CB 4.21Å; F354-L360 HydrophobicContact CD2-CD1 4.06Å; F354-L360 HydrophobicContact CE2-CD1 4.32Å; F354-L360 HydrophobicContact CG-CB 4.4Å; F354-H363 HydrophobicContact CE1-CB 4.02Å; F354-H363 HydrophobicContact CE2-CB 4.05Å; F354-H363 AromaticContact CE2-CD2 3.35Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.48Å; F354-H363 AromaticContact CE2-CG 3.75Å; F354-H363 HydrophobicContact CZ-CB 3.56Å; F354-H363 AromaticContact CZ-CD2 3.4Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.5Å; F354-H363 AromaticContact CZ-CG 3.31Å; F354-H363 AromaticContact CZ-ND1 3.94Å |
| 355 | R | 86.6 | Confident | 86.9 | Confident | 89 Ų | 89 | 72.7 Ų | 72.7 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -77.8 | -11.4 | 176.7 | -65.1 | 178.8 | 170 | 128.9 | -13.1 | 113.8 | R337 I338 K343 | R337-R355 VanDerWaalsContact CZ-O 3.29Å; R337-R355 PolarHBondContact NE-O 2.85Å; R337-R355 WeakPolarHBondContact O-CD 3.28Å; R337-R355 PolarHBondContact O-NE 3.24Å; I338-R355 PolarHBondContact O-NH2 3.27Å; K343-R355 HydrophobicContact CG-CG 3.9Å |
| 356 | Q | 85.8 | Confident | 86.8 | Confident | 46 Ų | 46 | 74.6 Ų | 74.6 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -146.5 | 140 | -175.8 | -52 | -171.1 | 19.1 | 0 | 0 | 111.4 | Q334 Y345 F354 S358 H359 L360 | Q334-Q356 HydrophobicContact CG-CG 4.43Å; Y345-Q356 VanDerWaalsContact CD2-C 3.41Å; F354-Q356 VanDerWaalsContact C-N 3.31Å; F354-Q356 PolarHBondContact O-N 3.45Å; Q356-S358 VanDerWaalsContact C-N 3.31Å; Q356-S358 WeakPolarHBondContact CB-OG 3.32Å; Q356-S358 PolarHBondContact O-N 3Å; Q356-S358 PolarHBondContact OE1-OG 3.24Å; Q356-H359 HydrophobicContact CB-CB 4.46Å; Q356-H359 PolarHBondContact O-N 3.35Å; Q356-H359 VanDerWaalsContact O-N 3.17Å; Q356-L360 PolarHBondContact O-N 3.12Å |
| 357 | L | 86.5 | Confident | 86.6 | Confident | 78 Ų | 78 | 74 Ų | 74 | 41% | 0.408 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 177.3 | -177.3 | 59 | 0 | 0 | 0 | 112.6 | Y345 H359 L360 Q361 | Y345-L357 HydrophobicContact CD1-CB 3.91Å; Y345-L357 HydrophobicContact CD1-CD1 3.88Å; Y345-L357 HydrophobicContact CD1-CG 4.45Å; Y345-L357 HydrophobicContact CE1-CB 3.7Å; Y345-L357 HydrophobicContact CE1-CD1 4.15Å; Y345-L357 HydrophobicContact CE1-CG 4.34Å; Y345-L357 HydrophobicContact CE2-CB 4.34Å; Y345-L357 HydrophobicContact CG-CB 4.32Å; L357-H359 VanDerWaalsContact C-N 3.29Å; L357-H359 PolarHBondContact O-N 3.07Å; L357-L360 HydrophobicContact CD1-CD2 4.3Å; L357-L360 WeakPolarHBondContact O-CB 3.41Å; L357-L360 PolarHBondContact O-N 2.92Å; L357-Q361 HydrophobicContact CD1-CG 4.34Å; L357-Q361 HydrophobicContact CG-CG 4.36Å; L357-Q361 WeakPolarHBondContact O-CB 3.33Å; L357-Q361 WeakPolarHBondContact O-CG 3.38Å; L357-Q361 PolarHBondContact O-N 3.02Å |
| 358 | S | 85.1 | Confident | 86.3 | Confident | 59 Ų | 59 | 77.5 Ų | 77.5 | 41% | 0.413 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.7 | -39.8 | 174.2 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | Q356 Q362 | Q356-S358 VanDerWaalsContact C-N 3.31Å; Q356-S358 WeakPolarHBondContact CB-OG 3.32Å; Q356-S358 PolarHBondContact O-N 3Å; Q356-S358 PolarHBondContact OE1-OG 3.24Å; S358-Q362 WeakPolarHBondContact O-CB 3.48Å; S358-Q362 PolarHBondContact O-N 3.37Å |
| 359 | H | 87.7 | Confident | 86.2 | Confident | 82 Ų | 82 | 74.8 Ų | 74.8 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -74.3 | -35.7 | 178 | -61.8 | 174.9 | 0 | 0 | 0 | 111.4 | F354 Q356 L357 Q362 H363 | F354-H359 HydrophobicContact CB-CB 4.46Å; F354-H359 HydrophobicContact CD1-CB 3.96Å; Q356-H359 HydrophobicContact CB-CB 4.46Å; Q356-H359 PolarHBondContact O-N 3.35Å; Q356-H359 VanDerWaalsContact O-N 3.17Å; L357-H359 VanDerWaalsContact C-N 3.29Å; L357-H359 PolarHBondContact O-N 3.07Å; H359-Q362 PolarHBondContact O-N 2.84Å; H359-H363 VanDerWaalsContact O-CB 3.3Å; H359-H363 WeakPolarHBondContact O-CB 3.49Å; H359-H363 PolarHBondContact O-N 3.19Å |
| 360 | L | 89.8 | Confident | 86.2 | Confident | 22 Ų | 22 | 71.6 Ų | 71.6 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 170.4 | 173.1 | 59.3 | 0 | 0 | 0 | 111.2 | N346 C347 F354 Q356 L357 Q362 H363 T364 | N346-L360 VanDerWaalsContact O-CD2 3.27Å; N346-L360 WeakPolarHBondContact O-CD2 3.27Å; C347-L360 HydrophobicContact CB-CD1 3.63Å; F354-L360 HydrophobicContact CB-CB 4.38Å; F354-L360 HydrophobicContact CD2-CB 4.21Å; F354-L360 HydrophobicContact CD2-CD1 4.06Å; F354-L360 HydrophobicContact CE2-CD1 4.32Å; F354-L360 HydrophobicContact CG-CB 4.4Å; Q356-L360 PolarHBondContact O-N 3.12Å; L357-L360 HydrophobicContact CD1-CD2 4.3Å; L357-L360 WeakPolarHBondContact O-CB 3.41Å; L357-L360 PolarHBondContact O-N 2.92Å; L360-Q362 PolarHBondContact O-N 2.87Å; L360-H363 CarbonylContact O-C 3.48Å; L360-H363 WeakPolarHBondContact O-CA 3.15Å; L360-H363 PolarHBondContact O-N 3.36Å; L360-T364 HydrophobicContact CD1-CG2 3.88Å; L360-T364 HydrophobicContact CG-CG2 4.4Å; L360-T364 PolarHBondContact O-N 3.2Å; L360-T364 PolarHBondContact O-OG1 3.17Å |
| 361 | Q | 86.1 | Confident | 86.2 | Confident | 106 Ų | 106 | 76.6 Ų | 76.6 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.1 | -20.7 | 176.9 | -72.6 | 177 | -18.2 | 0 | 0 | 114.3 | L357 T364 R365 | L357-Q361 HydrophobicContact CD1-CG 4.34Å; L357-Q361 HydrophobicContact CG-CG 4.36Å; L357-Q361 WeakPolarHBondContact O-CB 3.33Å; L357-Q361 WeakPolarHBondContact O-CG 3.38Å; L357-Q361 PolarHBondContact O-N 3.02Å; Q361-T364 PolarHBondContact O-OG1 3.39Å; Q361-R365 PolarHBondContact O-NE 3.5Å; Q361-R365 VanDerWaalsContact O-NE 3.07Å |
| 362 | Q | 86.1 | Confident | 86.2 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -83.9 | -34.3 | 171.1 | -177.4 | -178.4 | 80.3 | 0 | 0 | 111.4 | S358 H359 L360 Q386 | S358-Q362 WeakPolarHBondContact O-CB 3.48Å; S358-Q362 PolarHBondContact O-N 3.37Å; H359-Q362 PolarHBondContact O-N 2.84Å; L360-Q362 PolarHBondContact O-N 2.87Å; Q362-Q386 VanDerWaalsContact CD-CD 3.45Å; Q362-Q386 HydrophobicContact CG-CG 4.02Å; Q362-Q386 VanDerWaalsContact NE2-CD 3.26Å |
| 363 | H | 89 | Confident | 86.2 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 11% | 0.111 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.7 | -38.6 | 178.1 | 170.8 | 60.9 | 0 | 0 | 0 | 113.1 | C347 C350 F354 H359 L360 R365 I366 H367 | C347-H363 VanDerWaalsContact SG-CD2 3.56Å; C350-H363 PolarHBondContact SG-NE2 3.01Å; C350-H363 VanDerWaalsContact SG-NE2 3.36Å; F354-H363 HydrophobicContact CE1-CB 4.02Å; F354-H363 HydrophobicContact CE2-CB 4.05Å; F354-H363 AromaticContact CE2-CD2 3.35Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.48Å; F354-H363 AromaticContact CE2-CG 3.75Å; F354-H363 HydrophobicContact CZ-CB 3.56Å; F354-H363 AromaticContact CZ-CD2 3.4Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.5Å; F354-H363 AromaticContact CZ-CG 3.31Å; F354-H363 AromaticContact CZ-ND1 3.94Å; H359-H363 VanDerWaalsContact O-CB 3.3Å; H359-H363 WeakPolarHBondContact O-CB 3.49Å; H359-H363 PolarHBondContact O-N 3.19Å; L360-H363 CarbonylContact O-C 3.48Å; L360-H363 WeakPolarHBondContact O-CA 3.15Å; L360-H363 PolarHBondContact O-N 3.36Å; H363-R365 PolarHBondContact O-N 3.41Å; H363-I366 VanDerWaalsContact O-CB 3.24Å; H363-I366 WeakPolarHBondContact O-CB 3.45Å; H363-I366 WeakPolarHBondContact O-CG1 3.33Å; H363-I366 PolarHBondContact O-N 3.25Å; H363-H367 AromaticContact CD2-NE2 3.35Å; H363-H367 PolarHBondContact CD2-NE2 2.94Å; H363-H367 VanDerWaalsContact CD2-NE2 3.35Å; H363-H367 AromaticContact CE1-CD2 3.94Å; H363-H367 AromaticContact CE1-NE2 2.72Å; H363-H367 PolarHBondContact CE1-NE2 3.01Å; H363-H367 AromaticContact ND1-NE2 3.86Å; H363-H367 AromaticContact NE2-CD2 3.67Å; H363-H367 AromaticContact NE2-NE2 2.24Å; H363-H367 PolarHBondContact NE2-NE2 2.89Å |
| 364 | T | 87.3 | Confident | 86.1 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 22% | 0.221 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60 | -29.4 | 178.8 | 48.1 | 0 | 0 | 0 | 0 | 112.9 | Y349 L360 Q361 I366 H367 T368 | Y349-T364 HydrophobicContact CD2-CG2 4.41Å; L360-T364 HydrophobicContact CD1-CG2 3.88Å; L360-T364 HydrophobicContact CG-CG2 4.4Å; L360-T364 PolarHBondContact O-N 3.2Å; L360-T364 PolarHBondContact O-OG1 3.17Å; Q361-T364 PolarHBondContact O-OG1 3.39Å; T364-I366 PolarHBondContact O-N 3.42Å; T364-I366 VanDerWaalsContact O-N 3.15Å; T364-H367 WeakPolarHBondContact O-CB 3.41Å; T364-H367 PolarHBondContact O-N 2.84Å; T364-T368 PolarHBondContact O-N 3.42Å; T364-T368 PolarHBondContact O-OG1 2.88Å |
| 365 | R | 88.1 | Confident | 86.1 | Confident | 62 Ų | 62 | 73.1 Ų | 73.1 | 23% | 0.234 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.6 | -21.7 | 171.5 | -61.3 | 178.4 | -156.2 | -160.4 | -12 | 114.4 | Q361 H363 T368 G369 D370 T385 | Q361-R365 PolarHBondContact O-NE 3.5Å; Q361-R365 VanDerWaalsContact O-NE 3.07Å; H363-R365 PolarHBondContact O-N 3.41Å; R365-T368 WeakPolarHBondContact CA-OG1 3.28Å; R365-G369 CarbonylContact O-C 3.54Å; R365-G369 WeakPolarHBondContact O-CA 3.48Å; R365-G369 PolarHBondContact O-N 2.8Å; R365-G369 VanDerWaalsContact O-N 3.13Å; R365-D370 HydrophobicContact CB-CB 4.32Å; R365-D370 HydrophobicContact CG-CB 4.26Å; R365-D370 PolarHBondContact O-N 3.13Å; R365-T385 HydrophobicContact CB-CG2 4.09Å; R365-T385 PolarHBondContact NH1-O 3.08Å |
| 366 | I | 84.6 | Confident | 85.9 | Confident | 117 Ų | 117 | 73.8 Ų | 73.8 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -73.8 | -34.8 | 174.9 | -54.4 | 176.8 | 0 | 0 | 0 | 110 | H363 T364 | H363-I366 VanDerWaalsContact O-CB 3.24Å; H363-I366 WeakPolarHBondContact O-CB 3.45Å; H363-I366 WeakPolarHBondContact O-CG1 3.33Å; H363-I366 PolarHBondContact O-N 3.25Å; T364-I366 PolarHBondContact O-N 3.42Å; T364-I366 VanDerWaalsContact O-N 3.15Å |
| 367 | H | 85 | Confident | 85.5 | Confident | 88 Ų | 88 | 75.6 Ų | 75.6 | 41% | 0.407 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -81.5 | -39.3 | 177.7 | -63.4 | -78.3 | 0 | 0 | 0 | 112.5 | C347 Y349 C350 H363 T364 G369 | C347-H367 PolarHBondContact SG-NE2 3.33Å; C347-H367 VanDerWaalsContact SG-NE2 3.41Å; Y349-H367 VanDerWaalsContact CB-CG 3.44Å; Y349-H367 HydrophobicContact CD1-CB 4.33Å; Y349-H367 HydrophobicContact CD2-CB 3.92Å; Y349-H367 HydrophobicContact CG-CB 3.78Å; Y349-H367 AromaticContact CG-CG 3.93Å; C350-H367 WeakPolarHBondContact CB-CE1 3.32Å; C350-H367 PolarHBondContact SG-CE1 2.85Å; C350-H367 PolarHBondContact SG-NE2 3.37Å; H363-H367 AromaticContact CD2-NE2 3.35Å; H363-H367 PolarHBondContact CD2-NE2 2.94Å; H363-H367 VanDerWaalsContact CD2-NE2 3.35Å; H363-H367 AromaticContact CE1-CD2 3.94Å; H363-H367 AromaticContact CE1-NE2 2.72Å; H363-H367 PolarHBondContact CE1-NE2 3.01Å; H363-H367 AromaticContact ND1-NE2 3.86Å; H363-H367 AromaticContact NE2-CD2 3.67Å; H363-H367 AromaticContact NE2-NE2 2.24Å; H363-H367 PolarHBondContact NE2-NE2 2.89Å; T364-H367 WeakPolarHBondContact O-CB 3.41Å; T364-H367 PolarHBondContact O-N 2.84Å; H367-G369 VanDerWaalsContact C-N 3.3Å; H367-G369 PolarHBondContact O-N 3.25Å |
| 368 | T | 83.3 | Confident | 84.8 | Confident | 80 Ų | 80 | 77.2 Ų | 77.2 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -81.9 | -6 | 177.4 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | Y349 T364 R365 D370 | Y349-T368 HydrophobicContact CE2-CG2 4.5Å; T364-T368 PolarHBondContact O-N 3.42Å; T364-T368 PolarHBondContact O-OG1 2.88Å; R365-T368 WeakPolarHBondContact CA-OG1 3.28Å; T368-D370 PolarHBondContact O-N 3.34Å; T368-D370 WeakPolarHBondContact OG1-CB 3.48Å |
| 369 | G | 83.1 | Confident | 84.3 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 49% | 0.485 | 44% | 0.439 | S | S | . | . | trans | 68 | 4.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R365 H367 R371 | R365-G369 CarbonylContact O-C 3.54Å; R365-G369 WeakPolarHBondContact O-CA 3.48Å; R365-G369 PolarHBondContact O-N 2.8Å; R365-G369 VanDerWaalsContact O-N 3.13Å; H367-G369 VanDerWaalsContact C-N 3.3Å; H367-G369 PolarHBondContact O-N 3.25Å; G369-R371 WeakPolarHBondContact O-CG 3.47Å; G369-R371 PolarHBondContact O-N 2.88Å; G369-R371 VanDerWaalsContact O-N 3.15Å | ||
| 370 | D | 84.5 | Confident | 84.1 | Confident | 73 Ų | 73 | 75.5 Ų | 75.5 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | trans | -63.7 | 111.6 | -174.3 | 174 | 37.2 | 0 | 0 | 0 | 112.5 | R365 T368 P372 T385 | R365-D370 HydrophobicContact CB-CB 4.32Å; R365-D370 HydrophobicContact CG-CB 4.26Å; R365-D370 PolarHBondContact O-N 3.13Å; T368-D370 PolarHBondContact O-N 3.34Å; T368-D370 WeakPolarHBondContact OG1-CB 3.48Å; D370-P372 VanDerWaalsContact C-CD 3.48Å; D370-P372 WeakPolarHBondContact O-CD 3.48Å; D370-P372 WeakPolarHBondContact OD1-CD 3.3Å; D370-T385 WeakPolarHBondContact O-CG2 3.43Å | ||
| 371 | R | 85.3 | Confident | 83.7 | Confident | 134 Ų | 134 | 83.5 Ų | 83.5 | 51% | 0.506 | 46% | 0.462 | S | S | . | . | trans | -123.5 | 69.7 | -175.9 | -69.5 | 162.8 | 82.4 | 159.6 | 3.8 | 109.6 | G369 Y373 A383 F384 T385 | G369-R371 WeakPolarHBondContact O-CG 3.47Å; G369-R371 PolarHBondContact O-N 2.88Å; G369-R371 VanDerWaalsContact O-N 3.15Å; R371-Y373 PolarHBondContact O-N 3.05Å; R371-Y373 VanDerWaalsContact O-N 3.17Å; R371-A383 HydrophobicContact CB-CB 3.71Å; R371-A383 VanDerWaalsContact CZ-O 3.24Å; R371-A383 PolarHBondContact NE-O 2.76Å; R371-A383 PolarHBondContact NH2-O 3.2Å; R371-F384 CarbonylContact C-O 3.49Å; R371-F384 VanDerWaalsContact C-O 3.31Å; R371-F384 WeakPolarHBondContact CA-O 3.26Å; R371-T385 HydrophobicContact CG-CG2 3.86Å | ||
| 372 | P | 85 | Confident | 83.6 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | trans | -71 | -14.5 | -169.5 | 29.5 | -34.8 | 0 | 0 | 0 | 113.1 | D370 K374 | D370-P372 VanDerWaalsContact C-CD 3.48Å; D370-P372 WeakPolarHBondContact O-CD 3.48Å; D370-P372 WeakPolarHBondContact OD1-CD 3.3Å; P372-K374 PolarHBondContact O-N 2.94Å | ||
| 373 | Y | 85.8 | Confident | 83.6 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 31% | 0.31 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 80.5 | 179 | -52.5 | -70.4 | 0 | 0 | 0 | 110.3 | R371 F384 L387 | R371-Y373 PolarHBondContact O-N 3.05Å; R371-Y373 VanDerWaalsContact O-N 3.17Å; Y373-F384 WeakPolarHBondContact CB-O 3.39Å; Y373-F384 WeakPolarHBondContact CD2-O 3.31Å; Y373-F384 PolarHBondContact N-O 3.36Å; Y373-F384 VanDerWaalsContact N-O 3.17Å; Y373-F384 PolarHBondContact O-N 3.07Å; Y373-L387 HydrophobicContact CD1-CB 4.06Å; Y373-L387 HydrophobicContact CD1-CD1 4.01Å; Y373-L387 HydrophobicContact CD2-CB 4.49Å; Y373-L387 VanDerWaalsContact CD2-N 3.35Å; Y373-L387 HydrophobicContact CE1-CB 3.92Å; Y373-L387 HydrophobicContact CE1-CD1 4.37Å; Y373-L387 HydrophobicContact CE2-CB 4.33Å; Y373-L387 HydrophobicContact CG-CB 4.35Å |
| 374 | K | 85.9 | Confident | 83.5 | Confident | 161 Ų | 161 | 82.2 Ų | 82.2 | 70% | 0.7 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 145.9 | 172.5 | -60.9 | -169.2 | 178.3 | -174.4 | 0 | 111.2 | P372 A383 L390 | P372-K374 PolarHBondContact O-N 2.94Å; K374-A383 HydrophobicContact CG-CB 3.98Å; K374-L390 WeakPolarHBondContact O-CD2 3.39Å |
| 375 | C | 87.5 | Confident | 83.4 | Confident | 16 Ų | 16 | 81.9 Ų | 81.9 | 11% | 0.108 | 45% | 0.454 | C | S | . | . | trans | -75.3 | 145.3 | 166.7 | -148.4 | 0 | 0 | 0 | 0 | 109.9 | K382 L390 H393 | C375-K382 VanDerWaalsContact CB-O 3.32Å; C375-K382 WeakPolarHBondContact CB-O 3.32Å; C375-K382 PolarHBondContact N-O 3.17Å; C375-L390 HydrophobicContact CB-CD1 3.85Å; C375-H393 VanDerWaalsContact SG-CD2 3.57Å | ||
| 376 | A | 82.5 | Confident | 83.2 | Confident | 103 Ų | 103 | 81.3 Ų | 81.3 | 85% | 0.851 | 46% | 0.455 | S | S | * | . | trans | -116.6 | 23.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 377 | H | 77.5 | Confident | 83.1 | Confident | 83 Ų | 83 | 79.8 Ų | 79.8 | 38% | 0.384 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -89.5 | 133.1 | 174 | -169.2 | 74.7 | 0 | 0 | 0 | 108.8 | G379 C380 H397 | H377-G379 PolarHBondContact O-N 3.27Å; H377-C380 HydrophobicContact CB-CB 4.45Å; H377-C380 PolarHBondContact O-N 3.29Å; H377-H397 AromaticContact CD2-CD2 3.94Å; H377-H397 AromaticContact CD2-CE1 3.22Å; H377-H397 PolarHBondContact CD2-CE1 3.43Å; H377-H397 AromaticContact CD2-CG 3.44Å; H377-H397 VanDerWaalsContact CD2-CG 3.44Å; H377-H397 AromaticContact CD2-ND1 3.25Å; H377-H397 PolarHBondContact CD2-ND1 2.84Å; H377-H397 AromaticContact CG-CD2 3.76Å; H377-H397 AromaticContact CG-CG 3.58Å; H377-H397 AromaticContact CG-ND1 3.86Å; H377-H397 AromaticContact NE2-CE1 3.42Å; H377-H397 PolarHBondContact NE2-CE1 2.86Å; H377-H397 AromaticContact NE2-CG 3.88Å; H377-H397 AromaticContact NE2-ND1 3.75Å |
| 378 | P | 71.8 | Confident | 82.9 | Confident | 112 Ų | 112 | 78.1 Ų | 78.1 | 73% | 0.727 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 140.3 | 178.7 | 23.1 | -33.9 | 0 | 0 | 0 | 111 | C380 | P378-C380 VanDerWaalsContact C-N 3.27Å; P378-C380 PolarHBondContact O-N 2.87Å |
| 379 | G | 75.7 | Confident | 83 | Confident | 92 Ų | 92 | 77.7 Ų | 77.7 | 95% | 0.948 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 12.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | H377 | H377-G379 PolarHBondContact O-N 3.27Š|
| 380 | C | 81.4 | Confident | 83 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 9% | 0.088 | 42% | 0.421 | C | S | . | . | trans | -133.1 | 96.9 | 177.3 | -153.4 | 0 | 0 | 0 | 0 | 115.6 | H377 P378 K382 H397 | H377-C380 HydrophobicContact CB-CB 4.45Å; H377-C380 PolarHBondContact O-N 3.29Å; P378-C380 VanDerWaalsContact C-N 3.27Å; P378-C380 PolarHBondContact O-N 2.87Å; C380-K382 PolarHBondContact O-N 3.26Å; C380-H397 WeakPolarHBondContact CB-NE2 3.4Å; C380-H397 PolarHBondContact SG-NE2 3.5Å | ||
| 381 | E | 82.2 | Confident | 82.7 | Confident | 191 Ų | 191 | 78 Ų | 78 | 89% | 0.893 | 43% | 0.427 | S | S | * | . | trans | -79.2 | 7.8 | -179.7 | -54.3 | -176.9 | 155 | 0 | 0 | 114.2 | A383 | E381-A383 PolarHBondContact O-N 2.96Š| ||
| 382 | K | 83.8 | Confident | 82.4 | Confident | 119 Ų | 119 | 74 Ų | 74 | 52% | 0.517 | 42% | 0.42 | S | S | . | . | trans | -68.5 | 117.7 | -171.8 | -71.3 | 177.3 | -178.1 | 170.5 | 0 | 111.5 | C375 C380 F384 | C375-K382 VanDerWaalsContact CB-O 3.32Å; C375-K382 WeakPolarHBondContact CB-O 3.32Å; C375-K382 PolarHBondContact N-O 3.17Å; C380-K382 PolarHBondContact O-N 3.26Å; K382-F384 HydrophobicContact CB-CE2 3.83Å; K382-F384 HydrophobicContact CB-CZ 3.94Å; K382-F384 VanDerWaalsContact O-CE2 3.28Å; K382-F384 WeakPolarHBondContact O-CE2 3.37Å | ||
| 383 | A | 87 | Confident | 82.3 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 13% | 0.132 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 152.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R371 K374 E381 | R371-A383 HydrophobicContact CB-CB 3.71Å; R371-A383 VanDerWaalsContact CZ-O 3.24Å; R371-A383 PolarHBondContact NE-O 2.76Å; R371-A383 PolarHBondContact NH2-O 3.2Å; K374-A383 HydrophobicContact CG-CB 3.98Å; E381-A383 PolarHBondContact O-N 2.96Å |
| 384 | F | 85.4 | Confident | 81.8 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 17% | 0.171 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.3 | -173.8 | -59.4 | -91.1 | 0 | 0 | 0 | 112.6 | R371 Y373 K382 Q386 N389 L390 H393 | R371-F384 CarbonylContact C-O 3.49Å; R371-F384 VanDerWaalsContact C-O 3.31Å; R371-F384 WeakPolarHBondContact CA-O 3.26Å; Y373-F384 WeakPolarHBondContact CB-O 3.39Å; Y373-F384 WeakPolarHBondContact CD2-O 3.31Å; Y373-F384 PolarHBondContact N-O 3.36Å; Y373-F384 VanDerWaalsContact N-O 3.17Å; Y373-F384 PolarHBondContact O-N 3.07Å; K382-F384 HydrophobicContact CB-CE2 3.83Å; K382-F384 HydrophobicContact CB-CZ 3.94Å; K382-F384 VanDerWaalsContact O-CE2 3.28Å; K382-F384 WeakPolarHBondContact O-CE2 3.37Å; F384-Q386 VanDerWaalsContact C-N 3.28Å; F384-N389 HydrophobicContact CB-CB 4.26Å; F384-N389 HydrophobicContact CD1-CB 3.77Å; F384-N389 HydrophobicContact CG-CB 4.26Å; F384-L390 HydrophobicContact CB-CB 4.35Å; F384-L390 HydrophobicContact CD2-CB 3.95Å; F384-L390 HydrophobicContact CD2-CD1 3.97Å; F384-L390 HydrophobicContact CE2-CD1 4.18Å; F384-L390 HydrophobicContact CG-CB 4.31Å; F384-H393 HydrophobicContact CE1-CB 4.12Å; F384-H393 HydrophobicContact CE2-CB 3.92Å; F384-H393 AromaticContact CE2-CD2 3.24Å; F384-H393 WeakPolarHBondContact CE2-CD2 3.47Å; F384-H393 AromaticContact CE2-CG 3.71Å; F384-H393 HydrophobicContact CZ-CB 3.51Å; F384-H393 AromaticContact CZ-CD2 3.41Å; F384-H393 VanDerWaalsContact CZ-CD2 3.41Å; F384-H393 WeakPolarHBondContact CZ-CD2 3.49Å; F384-H393 AromaticContact CZ-CG 3.39Å |
| 385 | T | 85.6 | Confident | 81.2 | Confident | 28 Ų | 28 | 71.1 Ų | 71.1 | 17% | 0.172 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -74.5 | -18 | 174.1 | 56 | 0 | 0 | 0 | 0 | 112.9 | R365 D370 R371 | R365-T385 HydrophobicContact CB-CG2 4.09Å; R365-T385 PolarHBondContact NH1-O 3.08Å; D370-T385 WeakPolarHBondContact O-CG2 3.43Å; R371-T385 HydrophobicContact CG-CG2 3.86Å |
| 386 | Q | 84.7 | Confident | 80.4 | Confident | 51 Ų | 51 | 76.3 Ų | 76.3 | 24% | 0.238 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -134.4 | 141.8 | -176.1 | -48.5 | -173.9 | 19.2 | 0 | 0 | 112.5 | Q362 F384 S388 N389 L390 | Q362-Q386 VanDerWaalsContact CD-CD 3.45Å; Q362-Q386 HydrophobicContact CG-CG 4.02Å; Q362-Q386 VanDerWaalsContact NE2-CD 3.26Å; F384-Q386 VanDerWaalsContact C-N 3.28Å; Q386-S388 WeakPolarHBondContact CB-OG 3.48Å; Q386-S388 PolarHBondContact OE1-OG 2.35Å; Q386-N389 HydrophobicContact CB-CB 4.38Å; Q386-N389 PolarHBondContact O-N 3.29Å; Q386-L390 PolarHBondContact O-N 3.31Å |
| 387 | L | 83 | Confident | 79.9 | Confident | 85 Ų | 85 | 74.3 Ų | 74.3 | 45% | 0.445 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.1 | -36.8 | 178.1 | -179 | 60.4 | 0 | 0 | 0 | 112.9 | Y373 N389 L390 Q391 | Y373-L387 HydrophobicContact CD1-CB 4.06Å; Y373-L387 HydrophobicContact CD1-CD1 4.01Å; Y373-L387 HydrophobicContact CD2-CB 4.49Å; Y373-L387 VanDerWaalsContact CD2-N 3.35Å; Y373-L387 HydrophobicContact CE1-CB 3.92Å; Y373-L387 HydrophobicContact CE1-CD1 4.37Å; Y373-L387 HydrophobicContact CE2-CB 4.33Å; Y373-L387 HydrophobicContact CG-CB 4.35Å; L387-N389 VanDerWaalsContact C-N 3.28Å; L387-N389 PolarHBondContact O-N 2.6Å; L387-L390 HydrophobicContact CD1-CD2 4.4Å; L387-L390 PolarHBondContact O-N 3.26Å; L387-Q391 HydrophobicContact CD1-CG 4.48Å; L387-Q391 HydrophobicContact CG-CG 4.46Å; L387-Q391 WeakPolarHBondContact O-CG 3.17Å; L387-Q391 PolarHBondContact O-N 3.27Å |
| 388 | S | 80.8 | Confident | 79.3 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -55 | -42.2 | 173.2 | 43.7 | 0 | 0 | 0 | 0 | 112.4 | Q386 Q391 S392 | Q386-S388 WeakPolarHBondContact CB-OG 3.48Å; Q386-S388 PolarHBondContact OE1-OG 2.35Å; S388-Q391 PolarHBondContact O-N 3.07Å; S388-S392 PolarHBondContact O-N 3.48Å; S388-S392 PolarHBondContact O-OG 2.96Å |
| 389 | N | 83.8 | Confident | 78.7 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -72 | -40 | 179.7 | -64.2 | -6.3 | 0 | 0 | 0 | 110.9 | F384 Q386 L387 S392 H393 | F384-N389 HydrophobicContact CB-CB 4.26Å; F384-N389 HydrophobicContact CD1-CB 3.77Å; F384-N389 HydrophobicContact CG-CB 4.26Å; Q386-N389 HydrophobicContact CB-CB 4.38Å; Q386-N389 PolarHBondContact O-N 3.29Å; L387-N389 VanDerWaalsContact C-N 3.28Å; L387-N389 PolarHBondContact O-N 2.6Å; N389-S392 PolarHBondContact O-N 2.45Å; N389-H393 VanDerWaalsContact O-CB 3.3Å; N389-H393 WeakPolarHBondContact O-CB 3.15Å; N389-H393 PolarHBondContact O-N 3.02Å |
| 390 | L | 83.6 | Confident | 77.9 | Confident | 17 Ų | 17 | 80.7 Ų | 80.7 | 9% | 0.089 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62 | -42.7 | 170.9 | 173.9 | 61.1 | 0 | 0 | 0 | 111.7 | K374 C375 F384 Q386 L387 H393 R394 | K374-L390 WeakPolarHBondContact O-CD2 3.39Å; C375-L390 HydrophobicContact CB-CD1 3.85Å; F384-L390 HydrophobicContact CB-CB 4.35Å; F384-L390 HydrophobicContact CD2-CB 3.95Å; F384-L390 HydrophobicContact CD2-CD1 3.97Å; F384-L390 HydrophobicContact CE2-CD1 4.18Å; F384-L390 HydrophobicContact CG-CB 4.31Å; Q386-L390 PolarHBondContact O-N 3.31Å; L387-L390 HydrophobicContact CD1-CD2 4.4Å; L387-L390 PolarHBondContact O-N 3.26Å; L390-H393 PolarHBondContact O-N 2.94Å; L390-R394 HydrophobicContact CD1-CG 4.02Å; L390-R394 HydrophobicContact CG-CG 4.43Å; L390-R394 WeakPolarHBondContact O-CB 3.45Å; L390-R394 WeakPolarHBondContact O-CG 3.2Å; L390-R394 PolarHBondContact O-N 3.3Å |
| 391 | Q | 79.4 | Confident | 77 | Confident | 110 Ų | 110 | 84.3 Ų | 84.3 | 51% | 0.514 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 177.3 | -76.2 | 173.4 | -32.4 | 0 | 0 | 111.7 | L387 S388 H393 R394 R395 | L387-Q391 HydrophobicContact CD1-CG 4.48Å; L387-Q391 HydrophobicContact CG-CG 4.46Å; L387-Q391 WeakPolarHBondContact O-CG 3.17Å; L387-Q391 PolarHBondContact O-N 3.27Å; S388-Q391 PolarHBondContact O-N 3.07Å; Q391-H393 VanDerWaalsContact C-N 3.33Å; Q391-H393 PolarHBondContact O-N 3.39Å; Q391-R394 PolarHBondContact O-N 2.8Å; Q391-R395 PolarHBondContact O-N 2.86Å |
| 392 | S | 77.8 | Confident | 76.3 | Confident | 49 Ų | 49 | 79.5 Ų | 79.5 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 176.1 | -64.7 | 0 | 0 | 0 | 0 | 112.8 | S388 N389 R395 | S388-S392 PolarHBondContact O-N 3.48Å; S388-S392 PolarHBondContact O-OG 2.96Å; N389-S392 PolarHBondContact O-N 2.45Å; S392-R395 PolarHBondContact O-N 3.49Å; S392-R395 PolarHBondContact OG-NH1 3.18Å; S392-R395 PolarHBondContact OG-NH2 3.36Å; S392-R395 VanDerWaalsContact OG-NH2 3.11Å |
| 393 | H | 82.4 | Confident | 75.6 | Confident | 8 Ų | 8 | 77.5 Ų | 77.5 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -69 | -39.3 | 171.8 | 170.1 | 51.7 | 0 | 0 | 0 | 112.9 | C375 F384 N389 L390 Q391 R395 Q396 H397 | C375-H393 VanDerWaalsContact SG-CD2 3.57Å; F384-H393 HydrophobicContact CE1-CB 4.12Å; F384-H393 HydrophobicContact CE2-CB 3.92Å; F384-H393 AromaticContact CE2-CD2 3.24Å; F384-H393 WeakPolarHBondContact CE2-CD2 3.47Å; F384-H393 AromaticContact CE2-CG 3.71Å; F384-H393 HydrophobicContact CZ-CB 3.51Å; F384-H393 AromaticContact CZ-CD2 3.41Å; F384-H393 VanDerWaalsContact CZ-CD2 3.41Å; F384-H393 WeakPolarHBondContact CZ-CD2 3.49Å; F384-H393 AromaticContact CZ-CG 3.39Å; N389-H393 VanDerWaalsContact O-CB 3.3Å; N389-H393 WeakPolarHBondContact O-CB 3.15Å; N389-H393 PolarHBondContact O-N 3.02Å; L390-H393 PolarHBondContact O-N 2.94Å; Q391-H393 VanDerWaalsContact C-N 3.33Å; Q391-H393 PolarHBondContact O-N 3.39Å; H393-R395 PolarHBondContact O-N 3.24Å; H393-Q396 PolarHBondContact ND1-OE1 3.22Å; H393-Q396 WeakPolarHBondContact O-CA 3.36Å; H393-Q396 WeakPolarHBondContact O-CB 3.37Å; H393-Q396 PolarHBondContact O-N 3.26Å; H393-H397 AromaticContact CE1-CD2 3.99Å; H393-H397 AromaticContact CE1-NE2 3.88Å; H393-H397 AromaticContact NE2-CD2 3.93Å |
| 394 | R | 76.6 | Confident | 74.8 | Confident | 150 Ų | 150 | 83.9 Ų | 83.9 | 57% | 0.566 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.9 | -26.2 | 174.9 | -77.2 | -177 | 68.5 | -164.4 | -0.6 | 113 | L390 Q391 Q396 H397 N398 | L390-R394 HydrophobicContact CD1-CG 4.02Å; L390-R394 HydrophobicContact CG-CG 4.43Å; L390-R394 WeakPolarHBondContact O-CB 3.45Å; L390-R394 WeakPolarHBondContact O-CG 3.2Å; L390-R394 PolarHBondContact O-N 3.3Å; Q391-R394 PolarHBondContact O-N 2.8Å; R394-Q396 PolarHBondContact O-N 2.75Å; R394-H397 PolarHBondContact O-N 3.49Å; R394-N398 PolarHBondContact O-ND2 3.29Å |
| 395 | R | 73.1 | Confident | 74.3 | Confident | 87 Ų | 87 | 82.1 Ų | 82.1 | 33% | 0.328 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.8 | -13.9 | 169.7 | -62 | -162.8 | -59.6 | -77 | -2.3 | 113.7 | Q391 S392 H393 N398 T413 D414 | Q391-R395 PolarHBondContact O-N 2.86Å; S392-R395 PolarHBondContact O-N 3.49Å; S392-R395 PolarHBondContact OG-NH1 3.18Å; S392-R395 PolarHBondContact OG-NH2 3.36Å; S392-R395 VanDerWaalsContact OG-NH2 3.11Å; H393-R395 PolarHBondContact O-N 3.24Å; R395-N398 VanDerWaalsContact O-O 3.09Å; R395-T413 HydrophobicContact CB-CG2 4.15Å; R395-T413 WeakPolarHBondContact CD-O 3.42Å; R395-T413 PolarHBondContact NE-O 3.22Å; R395-T413 VanDerWaalsContact O-CG2 3.22Å; R395-T413 WeakPolarHBondContact O-CG2 3.16Å; R395-D414 IonicContact CZ-OD1 3.61Å; R395-D414 IonicContact NE-OD1 3.41Å; R395-D414 PolarHBondContact NE-OD1 2.91Å; R395-D414 IonicContact NH2-OD1 2.93Å; R395-D414 PolarHBondContact NH2-OD1 3.41Å |
| 396 | Q | 70.8 | Confident | 73.6 | Confident | 125 Ų | 125 | 88.4 Ų | 88.4 | 58% | 0.584 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -83.3 | -25.2 | 175.4 | -56.2 | 168.9 | -15 | 0 | 0 | 112.7 | H393 R394 | H393-Q396 PolarHBondContact ND1-OE1 3.22Å; H393-Q396 WeakPolarHBondContact O-CA 3.36Å; H393-Q396 WeakPolarHBondContact O-CB 3.37Å; H393-Q396 PolarHBondContact O-N 3.26Å; R394-Q396 PolarHBondContact O-N 2.75Å |
| 397 | H | 71.5 | Confident | 72.8 | Confident | 61 Ų | 61 | 90.7 Ų | 90.7 | 28% | 0.282 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -78.4 | -32 | 175 | -68.1 | -52 | 0 | 0 | 0 | 112.8 | H377 C380 H393 R394 K399 | H377-H397 AromaticContact CD2-CD2 3.94Å; H377-H397 AromaticContact CD2-CE1 3.22Å; H377-H397 PolarHBondContact CD2-CE1 3.43Å; H377-H397 AromaticContact CD2-CG 3.44Å; H377-H397 VanDerWaalsContact CD2-CG 3.44Å; H377-H397 AromaticContact CD2-ND1 3.25Å; H377-H397 PolarHBondContact CD2-ND1 2.84Å; H377-H397 AromaticContact CG-CD2 3.76Å; H377-H397 AromaticContact CG-CG 3.58Å; H377-H397 AromaticContact CG-ND1 3.86Å; H377-H397 AromaticContact NE2-CE1 3.42Å; H377-H397 PolarHBondContact NE2-CE1 2.86Å; H377-H397 AromaticContact NE2-CG 3.88Å; H377-H397 AromaticContact NE2-ND1 3.75Å; C380-H397 WeakPolarHBondContact CB-NE2 3.4Å; C380-H397 PolarHBondContact SG-NE2 3.5Å; H393-H397 AromaticContact CE1-CD2 3.99Å; H393-H397 AromaticContact CE1-NE2 3.88Å; H393-H397 AromaticContact NE2-CD2 3.93Å; R394-H397 PolarHBondContact O-N 3.49Å; H397-K399 PolarHBondContact O-N 2.81Å; H397-K399 VanDerWaalsContact O-N 3.14Å |
| 398 | N | 64.9 | Low | 72.3 | Confident | 100 Ų | 100 | 89 Ų | 89 | 54% | 0.535 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -72.4 | 105.2 | 167 | -67.3 | -87 | 0 | 0 | 0 | 106.9 | R394 R395 D400 | R394-N398 PolarHBondContact O-ND2 3.29Å; R395-N398 VanDerWaalsContact O-O 3.09Å; N398-D400 PolarHBondContact O-N 3.21Å |
| 399 | K | 59.1 | Low | 71.6 | Confident | 196 Ų | 196 | 93.8 Ų | 93.8 | 85% | 0.852 | 45% | 0.451 | S | S | * | . | trans | -63 | -18.8 | 174.8 | -69.9 | -178.9 | 179.7 | 176.1 | 0 | 112.2 | H397 K401 | H397-K399 PolarHBondContact O-N 2.81Å; H397-K399 VanDerWaalsContact O-N 3.14Å; K399-K401 WeakPolarHBondContact O-CG 3.46Å; K399-K401 PolarHBondContact O-N 3.22Å | ||
| 400 | D | 58.8 | Low | 70.9 | Confident | 125 Ų | 125 | 98.1 Ų | 98.1 | 67% | 0.668 | 46% | 0.462 | S | S | * | . | trans | -64.9 | 127.6 | 174.2 | -155.8 | -16.4 | 0 | 0 | 0 | 111.1 | N398 | N398-D400 PolarHBondContact O-N 3.21Š| ||
| 401 | K | 63.3 | Low | 70.3 | Confident | 90 Ų | 90 | 98.6 Ų | 98.6 | 39% | 0.391 | 47% | 0.468 | S | S | . | . | trans | -137.9 | 81.5 | -168.3 | -77.4 | 165.6 | 153 | -143.4 | 0 | 107.5 | K399 F403 A411 Y412 T413 | K399-K401 WeakPolarHBondContact O-CG 3.46Å; K399-K401 PolarHBondContact O-N 3.22Å; K401-F403 PolarHBondContact O-N 3.49Å; K401-A411 HydrophobicContact CB-CB 3.61Å; K401-A411 HydrophobicContact CD-CB 4.02Å; K401-A411 WeakPolarHBondContact CD-O 3.37Å; K401-A411 WeakPolarHBondContact CE-O 3.34Å; K401-A411 HydrophobicContact CG-CB 4.45Å; K401-A411 PolarHBondContact NZ-O 3.4Å; K401-Y412 CarbonylContact C-O 3.46Å; K401-Y412 WeakPolarHBondContact CA-O 3.5Å; K401-T413 HydrophobicContact CG-CG2 4.33Å | ||
| 402 | P | 66.4 | Low | 70 | Confident | 89 Ų | 89 | 95.4 Ų | 95.4 | 58% | 0.578 | 45% | 0.452 | S | S | * | . | trans | -62 | -31 | -171.2 | -24.3 | 34.7 | 0 | 0 | 0 | 112.6 | K404 | P402-K404 PolarHBondContact O-N 3.49Š| ||
| 403 | F | 68.9 | Low | 69.6 | Low | 78 Ų | 78 | 94.7 Ų | 94.7 | 34% | 0.342 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 78.6 | -172.3 | -56.4 | -78.1 | 0 | 0 | 0 | 110.5 | K401 Y412 D414 A415 L418 | K401-F403 PolarHBondContact O-N 3.49Å; F403-Y412 PolarHBondContact N-O 3.37Å; F403-Y412 WeakPolarHBondContact O-CB 3.39Å; F403-Y412 PolarHBondContact O-N 3.48Å; F403-D414 VanDerWaalsContact CD2-CA 3.44Å; F403-A415 HydrophobicContact CD1-CB 3.98Å; F403-A415 HydrophobicContact CE1-CB 3.75Å; F403-A415 HydrophobicContact CZ-CB 4.25Å; F403-L418 HydrophobicContact CB-CB 3.92Å; F403-L418 HydrophobicContact CB-CD2 3.78Å; F403-L418 HydrophobicContact CB-CG 4.43Å |
| 404 | K | 70 | Confident | 69.1 | Low | 150 Ų | 150 | 95.8 Ų | 95.8 | 65% | 0.652 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.6 | 175.8 | -60.4 | 179.7 | -177.6 | 173.1 | 0 | 110.6 | P402 A411 | P402-K404 PolarHBondContact O-N 3.49Å; K404-A411 HydrophobicContact CG-CB 3.95Å |
| 405 | C | 76.2 | Confident | 68.9 | Low | 1 Ų | 1 | 91.3 Ų | 91.3 | 1% | 0.007 | 45% | 0.446 | C | S | . | . | trans | -73.4 | 126 | 169.8 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | N407 H409 R410 L418 H425 | C405-N407 VanDerWaalsContact C-N 3.34Å; C405-N407 PolarHBondContact O-N 3.36Å; C405-H409 WeakPolarHBondContact O-CA 2.88Å; C405-H409 PolarHBondContact O-N 3.17Å; C405-R410 WeakPolarHBondContact CB-O 3.41Å; C405-R410 PolarHBondContact N-O 2.83Å; C405-L418 HydrophobicContact CB-CD1 3.82Å; C405-H425 PolarHBondContact SG-NE2 2.81Å | ||
| 406 | H | 71.3 | Confident | 69.2 | Low | 161 Ų | 161 | 89.9 Ų | 89.9 | 75% | 0.745 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -40.3 | 176.2 | -172.2 | 77 | 0 | 0 | 0 | 111.9 | C408 | H406-C408 PolarHBondContact O-N 3.33Š|
| 407 | N | 66.9 | Low | 69.4 | Low | 99 Ų | 99 | 86.3 Ų | 86.3 | 53% | 0.529 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.7 | -170.1 | -60.7 | 24.5 | 0 | 0 | 0 | 115 | C405 H425 | C405-N407 VanDerWaalsContact C-N 3.34Å; C405-N407 PolarHBondContact O-N 3.36Å; N407-H425 WeakPolarHBondContact CB-ND1 3.35Å |
| 408 | C | 72.1 | Confident | 69.8 | Low | 50 Ų | 50 | 84.5 Ų | 84.5 | 34% | 0.338 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -155.1 | 18 | 177.8 | 72.7 | 0 | 0 | 0 | 0 | 114.5 | H406 R410 H421 H425 | H406-C408 PolarHBondContact O-N 3.33Å; C408-R410 PolarHBondContact O-N 3.09Å; C408-H421 PolarHBondContact SG-NE2 2.99Å; C408-H425 PolarHBondContact SG-NE2 3.02Å; C408-H425 VanDerWaalsContact SG-NE2 3.45Å |
| 409 | H | 66.3 | Low | 70.3 | Confident | 153 Ų | 153 | 85.8 Ų | 85.8 | 71% | 0.708 | 44% | 0.437 | S | S | * | . | trans | 54.9 | 2.5 | 176.1 | -52.4 | -69.6 | 0 | 0 | 0 | 117.8 | C405 A411 | C405-H409 WeakPolarHBondContact O-CA 2.88Å; C405-H409 PolarHBondContact O-N 3.17Å; H409-A411 PolarHBondContact O-N 3.13Å | ||
| 410 | R | 69.8 | Low | 71.2 | Confident | 161 Ų | 161 | 81.3 Ų | 81.3 | 61% | 0.608 | 43% | 0.426 | S | S | * | . | trans | -60.6 | 130 | 174.4 | -67.5 | 176 | 79.9 | 104.1 | -1 | 109.6 | C405 C408 Y412 | C405-R410 WeakPolarHBondContact CB-O 3.41Å; C405-R410 PolarHBondContact N-O 2.83Å; C408-R410 PolarHBondContact O-N 3.09Å; R410-Y412 HydrophobicContact CB-CE2 3.64Å; R410-Y412 PolarHBondContact NE-OH 2.85Å; R410-Y412 WeakPolarHBondContact O-CD2 3.24Å; R410-Y412 VanDerWaalsContact O-CE2 3.26Å; R410-Y412 WeakPolarHBondContact O-CE2 3.3Å | ||
| 411 | A | 71.8 | Confident | 72 | Confident | 27 Ų | 27 | 76.5 Ų | 76.5 | 22% | 0.223 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K401 K404 H409 | K401-A411 HydrophobicContact CB-CB 3.61Å; K401-A411 HydrophobicContact CD-CB 4.02Å; K401-A411 WeakPolarHBondContact CD-O 3.37Å; K401-A411 WeakPolarHBondContact CE-O 3.34Å; K401-A411 HydrophobicContact CG-CB 4.45Å; K401-A411 PolarHBondContact NZ-O 3.4Å; K404-A411 HydrophobicContact CG-CB 3.95Å; H409-A411 PolarHBondContact O-N 3.13Å |
| 412 | Y | 73 | Confident | 72.5 | Confident | 44 Ų | 44 | 75.3 Ų | 75.3 | 17% | 0.173 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 155.9 | -169.8 | -63.6 | -94.3 | 0 | 0 | 0 | 112.2 | K401 F403 R410 L418 H421 | K401-Y412 CarbonylContact C-O 3.46Å; K401-Y412 WeakPolarHBondContact CA-O 3.5Å; F403-Y412 PolarHBondContact N-O 3.37Å; F403-Y412 WeakPolarHBondContact O-CB 3.39Å; F403-Y412 PolarHBondContact O-N 3.48Å; R410-Y412 HydrophobicContact CB-CE2 3.64Å; R410-Y412 PolarHBondContact NE-OH 2.85Å; R410-Y412 WeakPolarHBondContact O-CD2 3.24Å; R410-Y412 VanDerWaalsContact O-CE2 3.26Å; R410-Y412 WeakPolarHBondContact O-CE2 3.3Å; Y412-L418 HydrophobicContact CD2-CB 4.42Å; Y412-L418 HydrophobicContact CD2-CD1 4Å; Y412-L418 HydrophobicContact CE2-CD1 4.43Å; Y412-L418 HydrophobicContact CG-CB 4.42Å; Y412-H421 HydrophobicContact CE1-CB 4.11Å; Y412-H421 HydrophobicContact CE2-CB 4.15Å; Y412-H421 AromaticContact CE2-CD2 3.27Å; Y412-H421 WeakPolarHBondContact CE2-CD2 3.37Å; Y412-H421 AromaticContact CE2-CG 3.84Å; Y412-H421 AromaticContact CZ-CD2 3.44Å; Y412-H421 VanDerWaalsContact CZ-CD2 3.44Å; Y412-H421 AromaticContact CZ-CG 3.54Å; Y412-H421 PolarHBondContact OH-CD2 3.13Å; Y412-H421 PolarHBondContact OH-ND1 3.25Å |
| 413 | T | 69.3 | Low | 72.7 | Confident | 34 Ų | 34 | 74.5 Ų | 74.5 | 21% | 0.209 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -85.1 | -10.1 | -175.5 | 46.8 | 0 | 0 | 0 | 0 | 114.5 | R395 K401 | R395-T413 HydrophobicContact CB-CG2 4.15Å; R395-T413 WeakPolarHBondContact CD-O 3.42Å; R395-T413 PolarHBondContact NE-O 3.22Å; R395-T413 VanDerWaalsContact O-CG2 3.22Å; R395-T413 WeakPolarHBondContact O-CG2 3.16Å; K401-T413 HydrophobicContact CG-CG2 4.33Å |
| 414 | D | 70.6 | Confident | 72.7 | Confident | 31 Ų | 31 | 75 Ų | 75 | 17% | 0.166 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -162.5 | 150.7 | -175.1 | 41.8 | -95.1 | 0 | 0 | 0 | 111 | R395 F403 A416 S417 L418 | R395-D414 IonicContact CZ-OD1 3.61Å; R395-D414 IonicContact NE-OD1 3.41Å; R395-D414 PolarHBondContact NE-OD1 2.91Å; R395-D414 IonicContact NH2-OD1 2.93Å; R395-D414 PolarHBondContact NH2-OD1 3.41Å; F403-D414 VanDerWaalsContact CD2-CA 3.44Å; D414-A416 VanDerWaalsContact C-N 3.31Å; D414-A416 PolarHBondContact O-N 3.32Å; D414-S417 PolarHBondContact O-N 3.46Å; D414-S417 WeakPolarHBondContact OD2-CB 3.46Å; D414-S417 PolarHBondContact OD2-N 2.9Å; D414-S417 VanDerWaalsContact OD2-N 3.12Å; D414-S417 PolarHBondContact OD2-OG 3.38Å; D414-L418 PolarHBondContact O-N 3.26Å |
| 415 | A | 73.9 | Confident | 72.4 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.1 | -37.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | F403 S417 L418 E419 | F403-A415 HydrophobicContact CD1-CB 3.98Å; F403-A415 HydrophobicContact CE1-CB 3.75Å; F403-A415 HydrophobicContact CZ-CB 4.25Å; A415-S417 PolarHBondContact O-N 3.48Å; A415-L418 CarbonylContact O-C 3.31Å; A415-L418 WeakPolarHBondContact O-CB 3.35Å; A415-L418 PolarHBondContact O-N 3.24Å; A415-L418 VanDerWaalsContact O-N 3.17Å; A415-E419 WeakPolarHBondContact O-CB 3.44Å; A415-E419 PolarHBondContact O-N 2.83Å |
| 416 | A | 78.1 | Confident | 71.8 | Confident | 58 Ų | 58 | 75 Ų | 75 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D414 L418 E419 V420 | D414-A416 VanDerWaalsContact C-N 3.31Å; D414-A416 PolarHBondContact O-N 3.32Å; A416-L418 VanDerWaalsContact C-N 3.32Å; A416-E419 PolarHBondContact O-N 3.24Å; A416-V420 WeakPolarHBondContact O-CG2 3.38Å; A416-V420 PolarHBondContact O-N 3.23Å |
| 417 | S | 76.4 | Confident | 71.2 | Confident | 50 Ų | 50 | 72.4 Ų | 72.4 | 35% | 0.35 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.5 | -31.2 | 173.3 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | D414 A415 H421 | D414-S417 PolarHBondContact O-N 3.46Å; D414-S417 WeakPolarHBondContact OD2-CB 3.46Å; D414-S417 PolarHBondContact OD2-N 2.9Å; D414-S417 VanDerWaalsContact OD2-N 3.12Å; D414-S417 PolarHBondContact OD2-OG 3.38Å; A415-S417 PolarHBondContact O-N 3.48Å; S417-H421 WeakPolarHBondContact O-CB 3.45Å; S417-H421 PolarHBondContact O-N 3.28Å |
| 418 | L | 78.5 | Confident | 70.6 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.12 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -70.4 | -42.1 | 170.6 | 175.4 | 62.4 | 0 | 0 | 0 | 111.5 | F403 C405 Y412 D414 A415 A416 H421 L422 | F403-L418 HydrophobicContact CB-CB 3.92Å; F403-L418 HydrophobicContact CB-CD2 3.78Å; F403-L418 HydrophobicContact CB-CG 4.43Å; C405-L418 HydrophobicContact CB-CD1 3.82Å; Y412-L418 HydrophobicContact CD2-CB 4.42Å; Y412-L418 HydrophobicContact CD2-CD1 4Å; Y412-L418 HydrophobicContact CE2-CD1 4.43Å; Y412-L418 HydrophobicContact CG-CB 4.42Å; D414-L418 PolarHBondContact O-N 3.26Å; A415-L418 CarbonylContact O-C 3.31Å; A415-L418 WeakPolarHBondContact O-CB 3.35Å; A415-L418 PolarHBondContact O-N 3.24Å; A415-L418 VanDerWaalsContact O-N 3.17Å; A416-L418 VanDerWaalsContact C-N 3.32Å; L418-H421 CarbonylContact O-C 3.54Å; L418-H421 WeakPolarHBondContact O-CA 3.47Å; L418-H421 WeakPolarHBondContact O-CB 3.4Å; L418-H421 PolarHBondContact O-N 2.98Å; L418-L422 HydrophobicContact CD1-CD1 4.18Å; L418-L422 HydrophobicContact CD1-CD2 4.4Å; L418-L422 HydrophobicContact CD1-CG 3.96Å; L418-L422 HydrophobicContact CD2-CD1 4.35Å; L418-L422 HydrophobicContact CG-CD1 3.87Å; L418-L422 HydrophobicContact CG-CG 4.13Å; L418-L422 WeakPolarHBondContact O-CG 3.49Å; L418-L422 PolarHBondContact O-N 3.41Å |
| 419 | E | 76.7 | Confident | 69.6 | Low | 127 Ų | 127 | 83 Ų | 83 | 59% | 0.593 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.3 | -49.1 | 178.9 | -175.7 | -178.2 | -173.7 | 0 | 0 | 111.5 | A415 A416 H421 L422 S423 | A415-E419 WeakPolarHBondContact O-CB 3.44Å; A415-E419 PolarHBondContact O-N 2.83Å; A416-E419 PolarHBondContact O-N 3.24Å; E419-H421 PolarHBondContact O-N 3.17Å; E419-L422 PolarHBondContact O-N 2.95Å; E419-L422 VanDerWaalsContact O-N 3.12Å; E419-S423 PolarHBondContact O-N 3.4Å |
| 420 | V | 76.3 | Confident | 69.2 | Low | 102 Ų | 102 | 78 Ų | 78 | 62% | 0.618 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.3 | -23.7 | 173.2 | 172.2 | 0 | 0 | 0 | 0 | 112.4 | A416 S423 | A416-V420 WeakPolarHBondContact O-CG2 3.38Å; A416-V420 PolarHBondContact O-N 3.23Å; V420-S423 PolarHBondContact O-OG 2.84Å |
| 421 | H | 77.1 | Confident | 68.7 | Low | 23 Ų | 23 | 78 Ų | 78 | 11% | 0.106 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -84.9 | -37.4 | 171.8 | 175.3 | 48.3 | 0 | 0 | 0 | 112.8 | C408 Y412 S417 L418 E419 S423 T424 H425 | C408-H421 PolarHBondContact SG-NE2 2.99Å; Y412-H421 HydrophobicContact CE1-CB 4.11Å; Y412-H421 HydrophobicContact CE2-CB 4.15Å; Y412-H421 AromaticContact CE2-CD2 3.27Å; Y412-H421 WeakPolarHBondContact CE2-CD2 3.37Å; Y412-H421 AromaticContact CE2-CG 3.84Å; Y412-H421 AromaticContact CZ-CD2 3.44Å; Y412-H421 VanDerWaalsContact CZ-CD2 3.44Å; Y412-H421 AromaticContact CZ-CG 3.54Å; Y412-H421 PolarHBondContact OH-CD2 3.13Å; Y412-H421 PolarHBondContact OH-ND1 3.25Å; S417-H421 WeakPolarHBondContact O-CB 3.45Å; S417-H421 PolarHBondContact O-N 3.28Å; L418-H421 CarbonylContact O-C 3.54Å; L418-H421 WeakPolarHBondContact O-CA 3.47Å; L418-H421 WeakPolarHBondContact O-CB 3.4Å; L418-H421 PolarHBondContact O-N 2.98Å; E419-H421 PolarHBondContact O-N 3.17Å; H421-S423 PolarHBondContact O-N 2.85Å; H421-T424 PolarHBondContact ND1-OG1 3.14Å; H421-T424 VanDerWaalsContact ND1-OG1 3.15Å; H421-T424 WeakPolarHBondContact O-CA 3.41Å; H421-T424 WeakPolarHBondContact O-CB 3.35Å; H421-T424 PolarHBondContact O-N 2.8Å; H421-T424 PolarHBondContact O-OG1 3.39Å; H421-H425 AromaticContact CE1-CD2 3.77Å; H421-H425 AromaticContact CE1-NE2 3.15Å; H421-H425 PolarHBondContact CE1-NE2 3.22Å; H421-H425 AromaticContact NE2-CD2 3.82Å; H421-H425 AromaticContact NE2-NE2 3.13Å; H421-H425 PolarHBondContact NE2-NE2 2.99Å; H421-H425 VanDerWaalsContact NE2-NE2 3.13Å; H421-H425 PolarHBondContact O-CD2 3.05Å |
| 422 | L | 73.4 | Confident | 68.7 | Low | 65 Ų | 65 | 81.2 Ų | 81.2 | 34% | 0.34 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.5 | -33.1 | 173.7 | -71.2 | 170.8 | 0 | 0 | 0 | 110.8 | L418 E419 T424 H425 T426 | L418-L422 HydrophobicContact CD1-CD1 4.18Å; L418-L422 HydrophobicContact CD1-CD2 4.4Å; L418-L422 HydrophobicContact CD1-CG 3.96Å; L418-L422 HydrophobicContact CD2-CD1 4.35Å; L418-L422 HydrophobicContact CG-CD1 3.87Å; L418-L422 HydrophobicContact CG-CG 4.13Å; L418-L422 WeakPolarHBondContact O-CG 3.49Å; L418-L422 PolarHBondContact O-N 3.41Å; E419-L422 PolarHBondContact O-N 2.95Å; E419-L422 VanDerWaalsContact O-N 3.12Å; L422-T424 PolarHBondContact O-N 2.79Å; L422-T424 VanDerWaalsContact O-N 3.15Å; L422-H425 WeakPolarHBondContact O-CA 3.41Å; L422-H425 WeakPolarHBondContact O-CB 3.35Å; L422-H425 PolarHBondContact O-N 3.18Å; L422-T426 PolarHBondContact O-N 3.38Å; L422-T426 PolarHBondContact O-OG1 2.89Å |
| 423 | S | 70.8 | Confident | 68.8 | Low | 73 Ų | 73 | 82.6 Ų | 82.6 | 51% | 0.51 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.5 | -14.4 | 170.6 | 72.1 | 0 | 0 | 0 | 0 | 114.3 | E419 V420 H421 T426 | E419-S423 PolarHBondContact O-N 3.4Å; V420-S423 PolarHBondContact O-OG 2.84Å; H421-S423 PolarHBondContact O-N 2.85Å; S423-T426 WeakPolarHBondContact CA-OG1 3.2Å |
| 424 | T | 67.7 | Low | 69.2 | Low | 87 Ų | 87 | 84.9 Ų | 84.9 | 53% | 0.534 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -83.9 | -16.4 | 169.4 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | H421 L422 | H421-T424 PolarHBondContact ND1-OG1 3.14Å; H421-T424 VanDerWaalsContact ND1-OG1 3.15Å; H421-T424 WeakPolarHBondContact O-CA 3.41Å; H421-T424 WeakPolarHBondContact O-CB 3.35Å; H421-T424 PolarHBondContact O-N 2.8Å; H421-T424 PolarHBondContact O-OG1 3.39Å; L422-T424 PolarHBondContact O-N 2.79Å; L422-T424 VanDerWaalsContact O-N 3.15Å |
| 425 | H | 65 | Low | 69.8 | Low | 58 Ų | 58 | 83.5 Ų | 83.5 | 27% | 0.269 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -91.9 | -33.4 | 172.7 | -68.2 | -80.5 | 0 | 0 | 0 | 112.4 | C405 N407 C408 H421 L422 V427 | C405-H425 PolarHBondContact SG-NE2 2.81Å; N407-H425 WeakPolarHBondContact CB-ND1 3.35Å; C408-H425 PolarHBondContact SG-NE2 3.02Å; C408-H425 VanDerWaalsContact SG-NE2 3.45Å; H421-H425 AromaticContact CE1-CD2 3.77Å; H421-H425 AromaticContact CE1-NE2 3.15Å; H421-H425 PolarHBondContact CE1-NE2 3.22Å; H421-H425 AromaticContact NE2-CD2 3.82Å; H421-H425 AromaticContact NE2-NE2 3.13Å; H421-H425 PolarHBondContact NE2-NE2 2.99Å; H421-H425 VanDerWaalsContact NE2-NE2 3.13Å; H421-H425 PolarHBondContact O-CD2 3.05Å; L422-H425 WeakPolarHBondContact O-CA 3.41Å; L422-H425 WeakPolarHBondContact O-CB 3.35Å; L422-H425 PolarHBondContact O-N 3.18Å; H425-V427 PolarHBondContact O-N 3.38Å |
| 426 | T | 63.6 | Low | 70.2 | Confident | 95 Ų | 95 | 87 Ų | 87 | 58% | 0.583 | 48% | 0.479 | S | S | * | . | trans | -79.9 | 60.5 | -179.9 | 61.2 | 0 | 0 | 0 | 0 | 112.4 | L422 S423 K428 | L422-T426 PolarHBondContact O-N 3.38Å; L422-T426 PolarHBondContact O-OG1 2.89Å; S423-T426 WeakPolarHBondContact CA-OG1 3.2Å; T426-K428 PolarHBondContact O-N 3.15Å | ||
| 427 | V | 58.9 | Low | 70.2 | Confident | 105 Ų | 105 | 89.4 Ų | 89.4 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 76.4 | 174.9 | -171.7 | 0 | 0 | 0 | 0 | 109.9 | H425 | H425-V427 PolarHBondContact O-N 3.38Š|
| 428 | K | 53.6 | Low | 70.6 | Confident | 185 Ų | 185 | 88.8 Ų | 88.8 | 80% | 0.804 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -32.3 | 169.7 | -72 | -165.3 | 171.7 | -173.3 | 0 | 114.1 | T426 | T426-K428 PolarHBondContact O-N 3.15Š|
| 429 | H | 50.1 | Low | 70.7 | Confident | 188 Ų | 188 | 92.6 Ų | 92.6 | 87% | 0.87 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -137.9 | 38.4 | 172.8 | -59.9 | -64.8 | 0 | 0 | 0 | 113.1 | K431 | H429-K431 PolarHBondContact O-N 3.14Å; H429-K431 VanDerWaalsContact O-N 3.11Å |
| 430 | A | 59.2 | Low | 70.8 | Confident | 46 Ų | 46 | 94 Ų | 94 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | trans | -66.1 | 110.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | V432 | A430-V432 PolarHBondContact O-N 2.86Š| ||
| 431 | K | 58.1 | Low | 71 | Confident | 162 Ų | 162 | 92.3 Ų | 92.3 | 70% | 0.704 | 50% | 0.503 | S | S | * | . | trans | -56.3 | 116.4 | 169.1 | -74.4 | -174.7 | 177.7 | -179.3 | 0 | 107.9 | H429 Y433 | H429-K431 PolarHBondContact O-N 3.14Å; H429-K431 VanDerWaalsContact O-N 3.11Å; K431-Y433 HydrophobicContact CB-CE2 4.03Å; K431-Y433 WeakPolarHBondContact O-CD2 3.28Å; K431-Y433 WeakPolarHBondContact O-CE2 3.45Å; K431-Y433 PolarHBondContact O-N 3.5Å | ||
| 432 | V | 71.9 | Confident | 71 | Confident | 94 Ų | 94 | 93.7 Ų | 93.7 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | trans | -78.9 | 104 | 179.7 | -177.6 | 0 | 0 | 0 | 0 | 108 | A430 T434 A441 | A430-V432 PolarHBondContact O-N 2.86Å; V432-T434 HydrophobicContact CG1-CG2 4.21Å; V432-T434 PolarHBondContact O-N 3.37Å; V432-T434 VanDerWaalsContact O-N 3.11Å; V432-A441 HydrophobicContact CG1-CB 3.46Å; V432-A441 VanDerWaalsContact CG1-CB 3.46Å | ||
| 433 | Y | 75.2 | Confident | 71.2 | Confident | 73 Ų | 73 | 96.2 Ų | 96.2 | 29% | 0.286 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 94.6 | 178.4 | -69.5 | -88.5 | 0 | 0 | 0 | 108.8 | K431 Y442 E445 L448 | K431-Y433 HydrophobicContact CB-CE2 4.03Å; K431-Y433 WeakPolarHBondContact O-CD2 3.28Å; K431-Y433 WeakPolarHBondContact O-CE2 3.45Å; K431-Y433 PolarHBondContact O-N 3.5Å; Y433-Y442 PolarHBondContact N-O 3.49Å; Y433-Y442 WeakPolarHBondContact O-CB 3.43Å; Y433-Y442 PolarHBondContact O-N 3.11Å; Y433-E445 HydrophobicContact CD1-CB 3.84Å; Y433-E445 HydrophobicContact CD1-CG 3.87Å; Y433-E445 HydrophobicContact CD2-CB 4.36Å; Y433-E445 VanDerWaalsContact CD2-N 3.34Å; Y433-E445 HydrophobicContact CE1-CB 3.56Å; Y433-E445 HydrophobicContact CE1-CG 3.64Å; Y433-E445 HydrophobicContact CE2-CB 4.11Å; Y433-E445 HydrophobicContact CG-CB 4.24Å; Y433-E445 PolarHBondContact OH-OE2 2.95Å; Y433-L448 HydrophobicContact CD1-CD2 4.48Å |
| 434 | T | 78.7 | Confident | 71.4 | Confident | 83 Ų | 83 | 94.7 Ų | 94.7 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 140.4 | 177 | 46.9 | 0 | 0 | 0 | 0 | 111.5 | V432 R440 | V432-T434 HydrophobicContact CG1-CG2 4.21Å; V432-T434 PolarHBondContact O-N 3.37Å; V432-T434 VanDerWaalsContact O-N 3.11Å; T434-R440 CarbonylContact C-O 3.48Å; T434-R440 WeakPolarHBondContact CA-O 3.41Å |
| 435 | C | 82.3 | Confident | 71.9 | Confident | 2 Ų | 2 | 94.8 Ų | 94.8 | 1% | 0.014 | 51% | 0.51 | C | S | . | . | trans | -76 | 123.7 | 169.5 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | I437 S439 R440 Y442 L448 H451 M452 H455 | C435-I437 PolarHBondContact O-N 2.77Å; C435-I437 PolarHBondContact SG-N 3.35Å; C435-S439 WeakPolarHBondContact O-CA 3.37Å; C435-S439 PolarHBondContact O-N 3.2Å; C435-R440 HydrophobicContact CB-CB 4.46Å; C435-R440 PolarHBondContact N-O 3.25Å; C435-Y442 HydrophobicContact CB-CE2 4.37Å; C435-L448 HydrophobicContact CB-CD1 3.83Å; C435-H451 PolarHBondContact SG-NE2 3.42Å; C435-M452 VanDerWaalsContact SG-CE 3.53Å; C435-H455 VanDerWaalsContact SG-CD2 3.55Å; C435-H455 PolarHBondContact SG-NE2 3.28Å | ||
| 436 | T | 82.3 | Confident | 72.5 | Confident | 127 Ų | 127 | 96 Ų | 96 | 78% | 0.779 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -18.2 | 178.5 | 48.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 437 | I | 79.2 | Confident | 73.3 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 56% | 0.559 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -28.6 | -174.2 | -59.4 | 175.6 | 0 | 0 | 0 | 112.4 | C435 M452 H455 | C435-I437 PolarHBondContact O-N 2.77Å; C435-I437 PolarHBondContact SG-N 3.35Å; I437-M452 HydrophobicContact CB-CE 4.49Å; I437-M452 HydrophobicContact CD1-CE 3.72Å; I437-M452 HydrophobicContact CG1-CE 4.09Å; I437-H455 HydrophobicContact CD1-CB 3.68Å; I437-H455 HydrophobicContact CG2-CB 4.31Å |
| 438 | C | 84.9 | Confident | 74.5 | Confident | 38 Ų | 38 | 93.7 Ų | 93.7 | 26% | 0.257 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.2 | 21.7 | 179.2 | 81.6 | 0 | 0 | 0 | 0 | 114.6 | R440 H451 H455 | C438-R440 PolarHBondContact O-N 2.8Å; C438-H451 PolarHBondContact SG-NE2 3.23Å; C438-H455 WeakPolarHBondContact CB-CE1 3.36Å; C438-H455 VanDerWaalsContact CB-NE2 3.32Å; C438-H455 WeakPolarHBondContact CB-NE2 3.35Å; C438-H455 PolarHBondContact SG-CE1 3.36Å; C438-H455 PolarHBondContact SG-NE2 2.8Å |
| 439 | S | 79.3 | Confident | 75.8 | Confident | 102 Ų | 102 | 89.8 Ų | 89.8 | 71% | 0.713 | 48% | 0.478 | S | S | * | . | trans | 55 | 5 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 117.4 | C435 A441 | C435-S439 WeakPolarHBondContact O-CA 3.37Å; C435-S439 PolarHBondContact O-N 3.2Å; S439-A441 PolarHBondContact O-N 3.49Å | ||
| 440 | R | 80.3 | Confident | 77.3 | Confident | 158 Ų | 158 | 86 Ų | 86 | 60% | 0.596 | 46% | 0.459 | S | S | * | . | trans | -65.1 | 129.1 | -179.2 | -85 | -174.9 | 156.9 | 108.7 | -3.2 | 111.4 | T434 C435 C438 Y442 | T434-R440 CarbonylContact C-O 3.48Å; T434-R440 WeakPolarHBondContact CA-O 3.41Å; C435-R440 HydrophobicContact CB-CB 4.46Å; C435-R440 PolarHBondContact N-O 3.25Å; C438-R440 PolarHBondContact O-N 2.8Å; R440-Y442 HydrophobicContact CB-CE2 3.7Å; R440-Y442 WeakPolarHBondContact O-CD2 3.41Å; R440-Y442 WeakPolarHBondContact O-CE2 3.33Å | ||
| 441 | A | 78.7 | Confident | 78.4 | Confident | 66 Ų | 66 | 84.9 Ų | 84.9 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 137.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V432 S439 | V432-A441 HydrophobicContact CG1-CB 3.46Å; V432-A441 VanDerWaalsContact CG1-CB 3.46Å; S439-A441 PolarHBondContact O-N 3.49Å |
| 442 | Y | 78.1 | Confident | 79.3 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 20% | 0.204 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 139.7 | 174.8 | -64.3 | -83.8 | 0 | 0 | 0 | 111.5 | Y433 C435 R440 S444 L448 H451 | Y433-Y442 PolarHBondContact N-O 3.49Å; Y433-Y442 WeakPolarHBondContact O-CB 3.43Å; Y433-Y442 PolarHBondContact O-N 3.11Å; C435-Y442 HydrophobicContact CB-CE2 4.37Å; R440-Y442 HydrophobicContact CB-CE2 3.7Å; R440-Y442 WeakPolarHBondContact O-CD2 3.41Å; R440-Y442 WeakPolarHBondContact O-CE2 3.33Å; Y442-S444 PolarHBondContact O-N 3.43Å; Y442-L448 HydrophobicContact CD2-CB 4.12Å; Y442-L448 HydrophobicContact CD2-CD1 3.91Å; Y442-L448 HydrophobicContact CE2-CD1 4.25Å; Y442-L448 HydrophobicContact CG-CB 4.29Å; Y442-H451 HydrophobicContact CE1-CB 4.22Å; Y442-H451 HydrophobicContact CE2-CB 4.08Å; Y442-H451 AromaticContact CE2-CD2 3.3Å; Y442-H451 WeakPolarHBondContact CE2-CD2 3.07Å; Y442-H451 AromaticContact CE2-CG 3.8Å; Y442-H451 AromaticContact CZ-CD2 3.55Å; Y442-H451 AromaticContact CZ-CG 3.56Å; Y442-H451 PolarHBondContact OH-CD2 3.45Å; Y442-H451 VanDerWaalsContact OH-CD2 3.29Å; Y442-H451 PolarHBondContact OH-ND1 3.14Å |
| 443 | T | 76.4 | Confident | 79.7 | Confident | 118 Ų | 118 | 83 Ų | 83 | 72% | 0.724 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -78.6 | -3.4 | 178 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 444 | S | 76.3 | Confident | 79.7 | Confident | 40 Ų | 40 | 87.8 Ų | 87.8 | 28% | 0.28 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -155.1 | 135.7 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | Y442 T446 Y447 L448 | Y442-S444 PolarHBondContact O-N 3.43Å; S444-T446 PolarHBondContact O-N 3.36Å; S444-T446 PolarHBondContact OG-N 2.82Å; S444-T446 PolarHBondContact OG-OG1 3.23Å; S444-Y447 PolarHBondContact O-N 3.42Å; S444-L448 PolarHBondContact O-N 3.17Å; S444-L448 VanDerWaalsContact O-N 3.14Å |
| 445 | E | 77 | Confident | 79.5 | Confident | 90 Ų | 90 | 87.1 Ų | 87.1 | 42% | 0.421 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -50.9 | -37.8 | 173.9 | -158.9 | 176.8 | 152.1 | 0 | 0 | 112.8 | Y433 Y447 L448 M449 | Y433-E445 HydrophobicContact CD1-CB 3.84Å; Y433-E445 HydrophobicContact CD1-CG 3.87Å; Y433-E445 HydrophobicContact CD2-CB 4.36Å; Y433-E445 VanDerWaalsContact CD2-N 3.34Å; Y433-E445 HydrophobicContact CE1-CB 3.56Å; Y433-E445 HydrophobicContact CE1-CG 3.64Å; Y433-E445 HydrophobicContact CE2-CB 4.11Å; Y433-E445 HydrophobicContact CG-CB 4.24Å; Y433-E445 PolarHBondContact OH-OE2 2.95Å; E445-Y447 PolarHBondContact O-N 2.87Å; E445-L448 PolarHBondContact O-N 3Å; E445-M449 HydrophobicContact CG-CE 4.32Å; E445-M449 HydrophobicContact CG-CG 4.45Å; E445-M449 WeakPolarHBondContact O-CB 3.4Å; E445-M449 VanDerWaalsContact O-CG 3.31Å; E445-M449 WeakPolarHBondContact O-CG 3.49Å; E445-M449 PolarHBondContact O-N 2.77Å |
| 446 | T | 79 | Confident | 79 | Confident | 82 Ų | 82 | 90.5 Ų | 90.5 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65 | -24.5 | 179.1 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | S444 K450 | S444-T446 PolarHBondContact O-N 3.36Å; S444-T446 PolarHBondContact OG-N 2.82Å; S444-T446 PolarHBondContact OG-OG1 3.23Å; T446-K450 WeakPolarHBondContact O-CD 3.48Å; T446-K450 VanDerWaalsContact O-CG 3.26Å; T446-K450 WeakPolarHBondContact O-CG 3.2Å; T446-K450 PolarHBondContact O-N 2.13Å |
| 447 | Y | 80.3 | Confident | 78 | Confident | 136 Ų | 136 | 86.7 Ų | 86.7 | 53% | 0.533 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -87.7 | -36.5 | 173.2 | -77.8 | -93.9 | 0 | 0 | 0 | 111.6 | S444 E445 M449 K450 H451 | S444-Y447 PolarHBondContact O-N 3.42Å; E445-Y447 PolarHBondContact O-N 2.87Å; Y447-M449 PolarHBondContact O-N 3.48Å; Y447-K450 HydrophobicContact CD1-CD 4.49Å; Y447-K450 PolarHBondContact O-N 2.82Å; Y447-H451 WeakPolarHBondContact O-CB 3.41Å; Y447-H451 PolarHBondContact O-N 2.8Å |
| 448 | L | 83.3 | Confident | 77.1 | Confident | 16 Ų | 16 | 86.5 Ų | 86.5 | 8% | 0.084 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57 | -49 | 167.9 | 174.6 | 59.8 | 0 | 0 | 0 | 110.6 | Y433 C435 Y442 S444 E445 K450 H451 M452 | Y433-L448 HydrophobicContact CD1-CD2 4.48Å; C435-L448 HydrophobicContact CB-CD1 3.83Å; Y442-L448 HydrophobicContact CD2-CB 4.12Å; Y442-L448 HydrophobicContact CD2-CD1 3.91Å; Y442-L448 HydrophobicContact CE2-CD1 4.25Å; Y442-L448 HydrophobicContact CG-CB 4.29Å; S444-L448 PolarHBondContact O-N 3.17Å; S444-L448 VanDerWaalsContact O-N 3.14Å; E445-L448 PolarHBondContact O-N 3Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 2.84Å; L448-H451 CarbonylContact O-C 3.2Å; L448-H451 WeakPolarHBondContact O-CA 3.46Å; L448-H451 WeakPolarHBondContact O-CB 3.38Å; L448-H451 PolarHBondContact O-N 3.05Å; L448-M452 HydrophobicContact CD1-CG 3.75Å; L448-M452 HydrophobicContact CD1-SD 4.09Å; L448-M452 HydrophobicContact CG-CG 3.94Å; L448-M452 HydrophobicContact CG-SD 4.5Å; L448-M452 WeakPolarHBondContact O-CG 3.48Å; L448-M452 PolarHBondContact O-N 3.44Å |
| 449 | M | 80.6 | Confident | 76.1 | Confident | 104 Ų | 104 | 90.5 Ų | 90.5 | 51% | 0.512 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.7 | -27.2 | 179.4 | -65.9 | -63.6 | 177.7 | 0 | 0 | 113.6 | E445 Y447 | E445-M449 HydrophobicContact CG-CE 4.32Å; E445-M449 HydrophobicContact CG-CG 4.45Å; E445-M449 WeakPolarHBondContact O-CB 3.4Å; E445-M449 VanDerWaalsContact O-CG 3.31Å; E445-M449 WeakPolarHBondContact O-CG 3.49Å; E445-M449 PolarHBondContact O-N 2.77Å; Y447-M449 PolarHBondContact O-N 3.48Å |
| 450 | K | 82.6 | Confident | 75.4 | Confident | 107 Ų | 107 | 89.6 Ų | 89.6 | 47% | 0.465 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.7 | -36.4 | 168.3 | -76.2 | 168.3 | -175.1 | 173.2 | 0 | 111.9 | T446 Y447 L448 | T446-K450 WeakPolarHBondContact O-CD 3.48Å; T446-K450 VanDerWaalsContact O-CG 3.26Å; T446-K450 WeakPolarHBondContact O-CG 3.2Å; T446-K450 PolarHBondContact O-N 2.13Å; Y447-K450 HydrophobicContact CD1-CD 4.49Å; Y447-K450 PolarHBondContact O-N 2.82Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 2.84Å |
| 451 | H | 81.6 | Confident | 75 | Confident | 23 Ų | 23 | 86 Ų | 86 | 11% | 0.106 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -75.4 | -36.7 | 177 | 168.7 | 59.5 | 0 | 0 | 0 | 112.9 | C435 C438 Y442 Y447 L448 R453 K454 H455 | C435-H451 PolarHBondContact SG-NE2 3.42Å; C438-H451 PolarHBondContact SG-NE2 3.23Å; Y442-H451 HydrophobicContact CE1-CB 4.22Å; Y442-H451 HydrophobicContact CE2-CB 4.08Å; Y442-H451 AromaticContact CE2-CD2 3.3Å; Y442-H451 WeakPolarHBondContact CE2-CD2 3.07Å; Y442-H451 AromaticContact CE2-CG 3.8Å; Y442-H451 AromaticContact CZ-CD2 3.55Å; Y442-H451 AromaticContact CZ-CG 3.56Å; Y442-H451 PolarHBondContact OH-CD2 3.45Å; Y442-H451 VanDerWaalsContact OH-CD2 3.29Å; Y442-H451 PolarHBondContact OH-ND1 3.14Å; Y447-H451 WeakPolarHBondContact O-CB 3.41Å; Y447-H451 PolarHBondContact O-N 2.8Å; L448-H451 CarbonylContact O-C 3.2Å; L448-H451 WeakPolarHBondContact O-CA 3.46Å; L448-H451 WeakPolarHBondContact O-CB 3.38Å; L448-H451 PolarHBondContact O-N 3.05Å; H451-R453 PolarHBondContact O-N 3.45Å; H451-K454 WeakPolarHBondContact O-CA 2.96Å; H451-K454 VanDerWaalsContact O-CB 3.3Å; H451-K454 WeakPolarHBondContact O-CB 3.24Å; H451-K454 PolarHBondContact O-N 3.23Å; H451-H455 AromaticContact CD2-NE2 3.55Å; H451-H455 AromaticContact CE1-CD2 3.61Å; H451-H455 AromaticContact CE1-NE2 2.6Å; H451-H455 PolarHBondContact CE1-NE2 2.85Å; H451-H455 AromaticContact ND1-NE2 3.78Å; H451-H455 AromaticContact NE2-CD2 3.5Å; H451-H455 AromaticContact NE2-NE2 2.35Å; H451-H455 PolarHBondContact NE2-NE2 3.38Å |
| 452 | M | 77.9 | Confident | 74.7 | Confident | 43 Ų | 43 | 89.4 Ų | 89.4 | 21% | 0.212 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.6 | -32.8 | 176.8 | -64.6 | -97.5 | 60.1 | 0 | 0 | 111.5 | C435 I437 L448 K454 H455 N456 | C435-M452 VanDerWaalsContact SG-CE 3.53Å; I437-M452 HydrophobicContact CB-CE 4.49Å; I437-M452 HydrophobicContact CD1-CE 3.72Å; I437-M452 HydrophobicContact CG1-CE 4.09Å; L448-M452 HydrophobicContact CD1-CG 3.75Å; L448-M452 HydrophobicContact CD1-SD 4.09Å; L448-M452 HydrophobicContact CG-CG 3.94Å; L448-M452 HydrophobicContact CG-SD 4.5Å; L448-M452 WeakPolarHBondContact O-CG 3.48Å; L448-M452 PolarHBondContact O-N 3.44Å; M452-K454 PolarHBondContact O-N 2.92Å; M452-H455 HydrophobicContact CE-CB 4.38Å; M452-H455 PolarHBondContact O-N 3.39Å; M452-N456 PolarHBondContact O-N 2.98Å |
| 453 | R | 80.8 | Confident | 74.5 | Confident | 175 Ų | 175 | 92.6 Ų | 92.6 | 66% | 0.66 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -71.4 | -1.2 | 170.6 | -69 | -171.9 | -65.3 | 138.7 | -2 | 115.3 | H451 | H451-R453 PolarHBondContact O-N 3.45Å |
| 454 | K | 75 | Confident | 74.7 | Confident | 172 Ų | 172 | 91 Ų | 91 | 75% | 0.748 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -91.7 | -24.5 | 163.4 | -63.3 | -164.6 | 171.5 | -162.6 | 0 | 112.5 | H451 M452 | H451-K454 WeakPolarHBondContact O-CA 2.96Å; H451-K454 VanDerWaalsContact O-CB 3.3Å; H451-K454 WeakPolarHBondContact O-CB 3.24Å; H451-K454 PolarHBondContact O-N 3.23Å; M452-K454 PolarHBondContact O-N 2.92Å |
| 455 | H | 74.3 | Confident | 74.9 | Confident | 69 Ų | 69 | 94.6 Ų | 94.6 | 32% | 0.319 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -87.7 | -33.3 | 175.2 | -71.1 | -60.9 | 0 | 0 | 0 | 112.5 | C435 I437 C438 H451 M452 P457 | C435-H455 VanDerWaalsContact SG-CD2 3.55Å; C435-H455 PolarHBondContact SG-NE2 3.28Å; I437-H455 HydrophobicContact CD1-CB 3.68Å; I437-H455 HydrophobicContact CG2-CB 4.31Å; C438-H455 WeakPolarHBondContact CB-CE1 3.36Å; C438-H455 VanDerWaalsContact CB-NE2 3.32Å; C438-H455 WeakPolarHBondContact CB-NE2 3.35Å; C438-H455 PolarHBondContact SG-CE1 3.36Å; C438-H455 PolarHBondContact SG-NE2 2.8Å; H451-H455 AromaticContact CD2-NE2 3.55Å; H451-H455 AromaticContact CE1-CD2 3.61Å; H451-H455 AromaticContact CE1-NE2 2.6Å; H451-H455 PolarHBondContact CE1-NE2 2.85Å; H451-H455 AromaticContact ND1-NE2 3.78Å; H451-H455 AromaticContact NE2-CD2 3.5Å; H451-H455 AromaticContact NE2-NE2 2.35Å; H451-H455 PolarHBondContact NE2-NE2 3.38Å; M452-H455 HydrophobicContact CE-CB 4.38Å; M452-H455 PolarHBondContact O-N 3.39Å; H455-P457 VanDerWaalsContact O-CD 3.23Å; H455-P457 WeakPolarHBondContact O-CD 3.36Å |
| 456 | N | 70.6 | Confident | 75.1 | Confident | 73 Ų | 73 | 93.1 Ų | 93.1 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -108.5 | 80.8 | 162.7 | -169.8 | -12.5 | 0 | 0 | 0 | 108.8 | M452 Q461 | M452-N456 PolarHBondContact O-N 2.98Å; N456-Q461 PolarHBondContact ND2-OE1 3.08Å |
| 457 | P | 62.9 | Low | 75.4 | Confident | 48 Ų | 48 | 92 Ų | 92 | 31% | 0.312 | 46% | 0.463 | S | S | . | . | trans | -66 | 142.2 | 165.2 | 30.6 | -33.1 | 0 | 0 | 0 | 108.5 | H455 D459 L460 Q461 | H455-P457 VanDerWaalsContact O-CD 3.23Å; H455-P457 WeakPolarHBondContact O-CD 3.36Å; P457-D459 PolarHBondContact O-N 3.38Å; P457-D459 VanDerWaalsContact O-N 3.08Å; P457-L460 HydrophobicContact CG-CB 3.86Å; P457-L460 PolarHBondContact O-N 2.91Å; P457-Q461 PolarHBondContact O-N 3.11Å | ||
| 458 | P | 59.2 | Low | 75.8 | Confident | 105 Ų | 105 | 88.4 Ų | 88.4 | 68% | 0.682 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -58.6 | -29.4 | -175.9 | 24.6 | -34.4 | 0 | 0 | 0 | 112.6 | Q461 Q462 | P458-Q461 PolarHBondContact O-N 2.81Å; P458-Q462 WeakPolarHBondContact O-CB 3.36Å; P458-Q462 PolarHBondContact O-N 2.88Å |
| 459 | D | 62.9 | Low | 76.2 | Confident | 122 Ų | 122 | 90.4 Ų | 90.4 | 65% | 0.652 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.2 | -48 | 175.3 | -155.4 | -109.7 | 0 | 0 | 0 | 112.5 | P457 Q461 Q462 Q463 | P457-D459 PolarHBondContact O-N 3.38Å; P457-D459 VanDerWaalsContact O-N 3.08Å; D459-Q461 PolarHBondContact O-N 3.06Å; D459-Q462 CarbonylContact O-C 3.6Å; D459-Q462 PolarHBondContact O-N 2.95Å; D459-Q463 VanDerWaalsContact O-CB 3.27Å; D459-Q463 WeakPolarHBondContact O-CB 3.5Å; D459-Q463 PolarHBondContact O-N 3.03Å |
| 460 | L | 66.4 | Low | 76.6 | Confident | 83 Ų | 83 | 88.4 Ų | 88.4 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 179.8 | -175.3 | 67.6 | 0 | 0 | 0 | 111.8 | P457 Q462 Q463 V464 | P457-L460 HydrophobicContact CG-CB 3.86Å; P457-L460 PolarHBondContact O-N 2.91Å; L460-Q462 VanDerWaalsContact C-N 3.3Å; L460-Q462 PolarHBondContact O-N 3.19Å; L460-Q463 PolarHBondContact O-N 3.38Å; L460-V464 WeakPolarHBondContact O-CB 3.5Å; L460-V464 WeakPolarHBondContact O-CG2 3.49Å; L460-V464 PolarHBondContact O-N 3.26Å |
| 461 | Q | 70.1 | Confident | 77.1 | Confident | 83 Ų | 83 | 85.7 Ų | 85.7 | 39% | 0.388 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 175.1 | -169 | 66.8 | 75.7 | 0 | 0 | 111.3 | N456 P457 P458 D459 Q465 | N456-Q461 PolarHBondContact ND2-OE1 3.08Å; P457-Q461 PolarHBondContact O-N 3.11Å; P458-Q461 PolarHBondContact O-N 2.81Å; D459-Q461 PolarHBondContact O-N 3.06Å; Q461-Q465 WeakPolarHBondContact O-CB 3.22Å; Q461-Q465 VanDerWaalsContact O-CG 3.24Å; Q461-Q465 WeakPolarHBondContact O-CG 3.41Å; Q461-Q465 PolarHBondContact O-N 3.38Å; Q461-Q465 VanDerWaalsContact O-N 3.11Å |
| 462 | Q | 72.9 | Confident | 77.7 | Confident | 136 Ų | 136 | 87.1 Ų | 87.1 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -74.1 | -34.7 | 179.1 | -172.3 | 145.1 | 8.3 | 0 | 0 | 112.3 | P458 D459 L460 Q465 A466 | P458-Q462 WeakPolarHBondContact O-CB 3.36Å; P458-Q462 PolarHBondContact O-N 2.88Å; D459-Q462 CarbonylContact O-C 3.6Å; D459-Q462 PolarHBondContact O-N 2.95Å; L460-Q462 VanDerWaalsContact C-N 3.3Å; L460-Q462 PolarHBondContact O-N 3.19Å; Q462-Q465 PolarHBondContact O-N 3.07Å; Q462-A466 WeakPolarHBondContact O-CB 3.41Å; Q462-A466 PolarHBondContact O-N 2.88Å |
| 463 | Q | 74.3 | Confident | 78.5 | Confident | 119 Ų | 119 | 89 Ų | 89 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 174 | -169.1 | 180 | 27.7 | 0 | 0 | 111.5 | D459 L460 Q465 A466 A467 | D459-Q463 VanDerWaalsContact O-CB 3.27Å; D459-Q463 WeakPolarHBondContact O-CB 3.5Å; D459-Q463 PolarHBondContact O-N 3.03Å; L460-Q463 PolarHBondContact O-N 3.38Å; Q463-Q465 VanDerWaalsContact C-N 3.34Å; Q463-A466 PolarHBondContact O-N 3.1Å; Q463-A467 WeakPolarHBondContact O-CB 3.27Å; Q463-A467 PolarHBondContact O-N 3.32Å |
| 464 | V | 80.3 | Confident | 79.1 | Confident | 84 Ų | 84 | 83.2 Ų | 83.2 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 173 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | L460 A468 | L460-V464 WeakPolarHBondContact O-CB 3.5Å; L460-V464 WeakPolarHBondContact O-CG2 3.49Å; L460-V464 PolarHBondContact O-N 3.26Å; V464-A468 WeakPolarHBondContact O-CB 3.18Å; V464-A468 PolarHBondContact O-N 3.49Å |
| 465 | Q | 81.3 | Confident | 80 | Confident | 117 Ų | 117 | 81.2 Ų | 81.2 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -39.4 | 175.8 | -74.5 | 167.6 | -16.9 | 0 | 0 | 112.5 | Q461 Q462 Q463 A468 A469 | Q461-Q465 WeakPolarHBondContact O-CB 3.22Å; Q461-Q465 VanDerWaalsContact O-CG 3.24Å; Q461-Q465 WeakPolarHBondContact O-CG 3.41Å; Q461-Q465 PolarHBondContact O-N 3.38Å; Q461-Q465 VanDerWaalsContact O-N 3.11Å; Q462-Q465 PolarHBondContact O-N 3.07Å; Q463-Q465 VanDerWaalsContact C-N 3.34Å; Q465-A468 PolarHBondContact O-N 3.26Å; Q465-A469 WeakPolarHBondContact O-CB 3.42Å; Q465-A469 PolarHBondContact O-N 3.48Å |
| 466 | A | 81.6 | Confident | 80.9 | Confident | 58 Ų | 58 | 80.5 Ų | 80.5 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q462 Q463 A469 A470 | Q462-A466 WeakPolarHBondContact O-CB 3.41Å; Q462-A466 PolarHBondContact O-N 2.88Å; Q463-A466 PolarHBondContact O-N 3.1Å; A466-A469 PolarHBondContact O-N 3.37Å; A466-A470 WeakPolarHBondContact O-CB 3.49Å; A466-A470 PolarHBondContact O-N 2.97Å |
| 467 | A | 83.9 | Confident | 82.1 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q463 A470 A471 | Q463-A467 WeakPolarHBondContact O-CB 3.27Å; Q463-A467 PolarHBondContact O-N 3.32Å; A467-A470 PolarHBondContact O-N 3.47Å; A467-A471 WeakPolarHBondContact O-CB 3.42Å; A467-A471 PolarHBondContact O-N 3.41Å |
| 468 | A | 89 | Confident | 83.6 | Confident | 61 Ų | 61 | 83 Ų | 83 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V464 Q465 A471 A472 | V464-A468 WeakPolarHBondContact O-CB 3.18Å; V464-A468 PolarHBondContact O-N 3.49Å; Q465-A468 PolarHBondContact O-N 3.26Å; A468-A471 PolarHBondContact O-N 3.41Å; A468-A472 WeakPolarHBondContact O-CB 3.37Å; A468-A472 PolarHBondContact O-N 3.47Å |
| 469 | A | 90.9 | Very high | 85.3 | Confident | 57 Ų | 57 | 84 Ų | 84 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q465 A466 A472 V473 | Q465-A469 WeakPolarHBondContact O-CB 3.42Å; Q465-A469 PolarHBondContact O-N 3.48Å; A466-A469 PolarHBondContact O-N 3.37Å; A469-A472 PolarHBondContact O-N 3.38Å; A469-V473 WeakPolarHBondContact O-CG2 3.39Å; A469-V473 PolarHBondContact O-N 3.22Å |
| 470 | A | 90.8 | Very high | 86.9 | Confident | 62 Ų | 62 | 80.9 Ų | 80.9 | 51% | 0.512 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A466 A467 V473 A474 | A466-A470 WeakPolarHBondContact O-CB 3.49Å; A466-A470 PolarHBondContact O-N 2.97Å; A467-A470 PolarHBondContact O-N 3.47Å; A470-V473 PolarHBondContact O-N 2.86Å; A470-A474 PolarHBondContact O-N 2.93Å |
| 471 | A | 92.4 | Very high | 88.2 | Confident | 51 Ų | 51 | 83.1 Ų | 83.1 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A467 A468 A474 Q475 | A467-A471 WeakPolarHBondContact O-CB 3.42Å; A467-A471 PolarHBondContact O-N 3.41Å; A468-A471 PolarHBondContact O-N 3.41Å; A471-A474 PolarHBondContact O-N 3.34Å; A471-Q475 WeakPolarHBondContact O-CG 3.26Å; A471-Q475 PolarHBondContact O-N 3.21Å |
| 472 | A | 93.9 | Very high | 89.4 | Confident | 53 Ų | 53 | 81.8 Ų | 81.8 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A468 A469 Q475 A476 | A468-A472 WeakPolarHBondContact O-CB 3.37Å; A468-A472 PolarHBondContact O-N 3.47Å; A469-A472 PolarHBondContact O-N 3.38Å; A472-Q475 PolarHBondContact O-N 3.48Å; A472-A476 WeakPolarHBondContact O-CB 3.26Å; A472-A476 PolarHBondContact O-N 3.19Å |
| 473 | V | 94.2 | Very high | 90.5 | Very high | 81 Ų | 81 | 81.3 Ų | 81.3 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 173.6 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | A469 A470 Q475 A476 Q477 | A469-V473 WeakPolarHBondContact O-CG2 3.39Å; A469-V473 PolarHBondContact O-N 3.22Å; A470-V473 PolarHBondContact O-N 2.86Å; V473-Q475 VanDerWaalsContact C-N 3.34Å; V473-Q475 PolarHBondContact O-N 3.15Å; V473-A476 PolarHBondContact O-N 3.17Å; V473-Q477 HydrophobicContact CG1-CG 4.44Å; V473-Q477 WeakPolarHBondContact O-CB 3.34Å; V473-Q477 WeakPolarHBondContact O-CG 3.36Å; V473-Q477 PolarHBondContact O-N 3.27Å |
| 474 | A | 93.8 | Very high | 91.5 | Very high | 55 Ų | 55 | 78.2 Ų | 78.2 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A470 A471 Q477 A478 | A470-A474 PolarHBondContact O-N 2.93Å; A471-A474 PolarHBondContact O-N 3.34Å; A474-Q477 PolarHBondContact O-N 3.5Å; A474-A478 WeakPolarHBondContact O-CB 3.42Å; A474-A478 PolarHBondContact O-N 3.34Å |
| 475 | Q | 94.4 | Very high | 92.2 | Very high | 129 Ų | 129 | 80.4 Ų | 80.4 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -43.4 | 173.8 | -75.2 | 177.6 | -8.9 | 0 | 0 | 112.2 | A471 A472 V473 A478 Q479 | A471-Q475 WeakPolarHBondContact O-CG 3.26Å; A471-Q475 PolarHBondContact O-N 3.21Å; A472-Q475 PolarHBondContact O-N 3.48Å; V473-Q475 VanDerWaalsContact C-N 3.34Å; V473-Q475 PolarHBondContact O-N 3.15Å; Q475-A478 PolarHBondContact O-N 3.27Å; Q475-Q479 WeakPolarHBondContact O-CB 3.46Å; Q475-Q479 WeakPolarHBondContact O-CG 3.45Å; Q475-Q479 PolarHBondContact O-N 3.15Å |
| 476 | A | 93.9 | Very high | 92.9 | Very high | 54 Ų | 54 | 77.5 Ų | 77.5 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A472 V473 Q479 A480 | A472-A476 WeakPolarHBondContact O-CB 3.26Å; A472-A476 PolarHBondContact O-N 3.19Å; V473-A476 PolarHBondContact O-N 3.17Å; A476-Q479 PolarHBondContact O-N 2.59Å; A476-A480 WeakPolarHBondContact O-CB 3.47Å; A476-A480 PolarHBondContact O-N 3.12Å |
| 477 | Q | 94.8 | Very high | 93.5 | Very high | 118 Ų | 118 | 80.7 Ų | 80.7 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 174.5 | -74.7 | 174.6 | -22.7 | 0 | 0 | 112 | V473 A474 Q479 A480 Q481 | V473-Q477 HydrophobicContact CG1-CG 4.44Å; V473-Q477 WeakPolarHBondContact O-CB 3.34Å; V473-Q477 WeakPolarHBondContact O-CG 3.36Å; V473-Q477 PolarHBondContact O-N 3.27Å; A474-Q477 PolarHBondContact O-N 3.5Å; Q477-Q479 VanDerWaalsContact C-N 3.35Å; Q477-Q479 PolarHBondContact O-N 3.36Å; Q477-A480 PolarHBondContact O-N 3.01Å; Q477-Q481 WeakPolarHBondContact O-CG 3.37Å; Q477-Q481 PolarHBondContact O-N 3.22Å |
| 478 | A | 94.8 | Very high | 94 | Very high | 55 Ų | 55 | 80.5 Ų | 80.5 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A474 Q475 Q481 A482 | A474-A478 WeakPolarHBondContact O-CB 3.42Å; A474-A478 PolarHBondContact O-N 3.34Å; Q475-A478 PolarHBondContact O-N 3.27Å; A478-Q481 PolarHBondContact O-N 2.6Å; A478-A482 WeakPolarHBondContact O-CB 3.09Å; A478-A482 PolarHBondContact O-N 3.15Å |
| 479 | Q | 95.2 | Very high | 94.3 | Very high | 128 Ų | 128 | 83.8 Ų | 83.8 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.2 | -43.6 | 174.3 | -74.6 | 175.8 | -5.2 | 0 | 0 | 112.2 | Q475 A476 Q477 A482 Q483 | Q475-Q479 WeakPolarHBondContact O-CB 3.46Å; Q475-Q479 WeakPolarHBondContact O-CG 3.45Å; Q475-Q479 PolarHBondContact O-N 3.15Å; A476-Q479 PolarHBondContact O-N 2.59Å; Q477-Q479 VanDerWaalsContact C-N 3.35Å; Q477-Q479 PolarHBondContact O-N 3.36Å; Q479-A482 PolarHBondContact O-N 3.05Å; Q479-Q483 WeakPolarHBondContact O-CB 3.4Å; Q479-Q483 WeakPolarHBondContact O-CG 3.4Å; Q479-Q483 PolarHBondContact O-N 2.94Å |
| 480 | A | 95.1 | Very high | 94.5 | Very high | 55 Ų | 55 | 83.7 Ų | 83.7 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A476 Q477 Q483 A484 | A476-A480 WeakPolarHBondContact O-CB 3.47Å; A476-A480 PolarHBondContact O-N 3.12Å; Q477-A480 PolarHBondContact O-N 3.01Å; A480-Q483 PolarHBondContact O-N 2.85Å; A480-A484 WeakPolarHBondContact O-CB 3.45Å; A480-A484 PolarHBondContact O-N 2.8Å |
| 481 | Q | 95.3 | Very high | 94.7 | Very high | 130 Ų | 130 | 86.8 Ų | 86.8 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -44.8 | 174.6 | -74.7 | 175.4 | -12.5 | 0 | 0 | 112 | Q477 A478 Q483 A484 Q485 | Q477-Q481 WeakPolarHBondContact O-CG 3.37Å; Q477-Q481 PolarHBondContact O-N 3.22Å; A478-Q481 PolarHBondContact O-N 2.6Å; Q481-Q483 VanDerWaalsContact C-N 3.35Å; Q481-Q483 PolarHBondContact O-N 3.35Å; Q481-A484 PolarHBondContact O-N 3.12Å; Q481-Q485 WeakPolarHBondContact O-CG 3.49Å; Q481-Q485 PolarHBondContact O-N 3.12Å |
| 482 | A | 95.6 | Very high | 94.8 | Very high | 55 Ų | 55 | 87 Ų | 87 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A478 Q479 Q485 A486 | A478-A482 WeakPolarHBondContact O-CB 3.09Å; A478-A482 PolarHBondContact O-N 3.15Å; Q479-A482 PolarHBondContact O-N 3.05Å; A482-Q485 PolarHBondContact O-N 3.28Å; A482-A486 WeakPolarHBondContact O-CB 3.48Å; A482-A486 PolarHBondContact O-N 2.9Å |
| 483 | Q | 95.5 | Very high | 94.8 | Very high | 126 Ų | 126 | 90.5 Ų | 90.5 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 174.5 | -74.6 | 176 | -3.8 | 0 | 0 | 112.1 | Q479 A480 Q481 A486 Q487 | Q479-Q483 WeakPolarHBondContact O-CB 3.4Å; Q479-Q483 WeakPolarHBondContact O-CG 3.4Å; Q479-Q483 PolarHBondContact O-N 2.94Å; A480-Q483 PolarHBondContact O-N 2.85Å; Q481-Q483 VanDerWaalsContact C-N 3.35Å; Q481-Q483 PolarHBondContact O-N 3.35Å; Q483-A486 PolarHBondContact O-N 3.19Å; Q483-Q487 WeakPolarHBondContact O-CB 3.37Å; Q483-Q487 WeakPolarHBondContact O-CG 3.36Å; Q483-Q487 PolarHBondContact O-N 3.48Å |
| 484 | A | 95.1 | Very high | 94.8 | Very high | 55 Ų | 55 | 89.2 Ų | 89.2 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A480 Q481 Q487 A488 | A480-A484 WeakPolarHBondContact O-CB 3.45Å; A480-A484 PolarHBondContact O-N 2.8Å; Q481-A484 PolarHBondContact O-N 3.12Å; A484-Q487 PolarHBondContact O-N 3.11Å; A484-A488 WeakPolarHBondContact O-CB 3.26Å; A484-A488 PolarHBondContact O-N 3.22Å |
| 485 | Q | 95.2 | Very high | 94.8 | Very high | 130 Ų | 130 | 92.6 Ų | 92.6 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 174.5 | -74.3 | 176.2 | -9.9 | 0 | 0 | 112.1 | Q481 A482 Q487 A488 Q489 | Q481-Q485 WeakPolarHBondContact O-CG 3.49Å; Q481-Q485 PolarHBondContact O-N 3.12Å; A482-Q485 PolarHBondContact O-N 3.28Å; Q485-Q487 PolarHBondContact O-N 2.94Å; Q485-A488 PolarHBondContact O-N 2.83Å; Q485-Q489 WeakPolarHBondContact O-CG 3.36Å; Q485-Q489 PolarHBondContact O-N 3.45Å |
| 486 | A | 95.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 89.1 Ų | 89.1 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A482 Q483 Q489 A490 | A482-A486 WeakPolarHBondContact O-CB 3.48Å; A482-A486 PolarHBondContact O-N 2.9Å; Q483-A486 PolarHBondContact O-N 3.19Å; A486-Q489 PolarHBondContact O-N 3.36Å; A486-A490 WeakPolarHBondContact O-CB 3.5Å; A486-A490 PolarHBondContact O-N 2.94Å |
| 487 | Q | 95.3 | Very high | 94.7 | Very high | 126 Ų | 126 | 92.6 Ų | 92.6 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 174.5 | -74.2 | 175.9 | -3.6 | 0 | 0 | 112.2 | Q483 A484 Q485 A490 Q491 | Q483-Q487 WeakPolarHBondContact O-CB 3.37Å; Q483-Q487 WeakPolarHBondContact O-CG 3.36Å; Q483-Q487 PolarHBondContact O-N 3.48Å; A484-Q487 PolarHBondContact O-N 3.11Å; Q485-Q487 PolarHBondContact O-N 2.94Å; Q487-A490 PolarHBondContact O-N 3.33Å; Q487-Q491 WeakPolarHBondContact O-CG 3.46Å; Q487-Q491 PolarHBondContact O-N 3.29Å |
| 488 | A | 94.8 | Very high | 94.6 | Very high | 55 Ų | 55 | 89.5 Ų | 89.5 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A484 Q485 Q491 A492 | A484-A488 WeakPolarHBondContact O-CB 3.26Å; A484-A488 PolarHBondContact O-N 3.22Å; Q485-A488 PolarHBondContact O-N 2.83Å; A488-Q491 PolarHBondContact O-N 3.49Å; A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 3.15Å |
| 489 | Q | 94.6 | Very high | 94.5 | Very high | 130 Ų | 130 | 92.7 Ų | 92.7 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -44 | 174.4 | -74 | 176.5 | -7.4 | 0 | 0 | 112.1 | Q485 A486 Q491 A492 Q493 | Q485-Q489 WeakPolarHBondContact O-CG 3.36Å; Q485-Q489 PolarHBondContact O-N 3.45Å; A486-Q489 PolarHBondContact O-N 3.36Å; Q489-Q491 PolarHBondContact O-N 3.5Å; Q489-A492 PolarHBondContact O-N 2.88Å; Q489-Q493 WeakPolarHBondContact O-CB 3.46Å; Q489-Q493 WeakPolarHBondContact O-CG 3.49Å; Q489-Q493 PolarHBondContact O-N 2.94Å |
| 490 | A | 95.1 | Very high | 94.4 | Very high | 54 Ų | 54 | 89.2 Ų | 89.2 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A486 Q487 Q493 A494 | A486-A490 WeakPolarHBondContact O-CB 3.5Å; A486-A490 PolarHBondContact O-N 2.94Å; Q487-A490 PolarHBondContact O-N 3.33Å; A490-Q493 PolarHBondContact O-N 2.95Å; A490-A494 WeakPolarHBondContact O-CB 3.36Å; A490-A494 PolarHBondContact O-N 2.86Å |
| 491 | Q | 94.6 | Very high | 94.2 | Very high | 128 Ų | 128 | 92.9 Ų | 92.9 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -43.8 | 174.5 | -74 | 176.8 | -1.8 | 0 | 0 | 112.1 | Q487 A488 Q489 Q493 A494 Q495 | Q487-Q491 WeakPolarHBondContact O-CG 3.46Å; Q487-Q491 PolarHBondContact O-N 3.29Å; A488-Q491 PolarHBondContact O-N 3.49Å; Q489-Q491 PolarHBondContact O-N 3.5Å; Q491-Q493 PolarHBondContact O-N 2.84Å; Q491-A494 PolarHBondContact O-N 2.9Å; Q491-Q495 WeakPolarHBondContact O-CG 3.08Å; Q491-Q495 PolarHBondContact O-N 2.85Å |
| 492 | A | 94.2 | Very high | 94 | Very high | 54 Ų | 54 | 88.9 Ų | 88.9 | 45% | 0.446 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A488 Q489 Q495 A496 | A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 3.15Å; Q489-A492 PolarHBondContact O-N 2.88Å; A492-Q495 PolarHBondContact O-N 3.45Å; A492-A496 WeakPolarHBondContact O-CB 3.39Å; A492-A496 PolarHBondContact O-N 2.95Å |
| 493 | Q | 94.1 | Very high | 93.7 | Very high | 127 Ų | 127 | 92.4 Ų | 92.4 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 174.4 | -74.1 | 176 | -3 | 0 | 0 | 112.1 | Q489 A490 Q491 Q495 A496 Q497 | Q489-Q493 WeakPolarHBondContact O-CB 3.46Å; Q489-Q493 WeakPolarHBondContact O-CG 3.49Å; Q489-Q493 PolarHBondContact O-N 2.94Å; A490-Q493 PolarHBondContact O-N 2.95Å; Q491-Q493 PolarHBondContact O-N 2.84Å; Q493-Q495 PolarHBondContact O-N 3.2Å; Q493-A496 PolarHBondContact O-N 3.38Å; Q493-Q497 WeakPolarHBondContact O-CG 3.47Å; Q493-Q497 PolarHBondContact O-N 2.78Å |
| 494 | A | 94.3 | Very high | 93.4 | Very high | 55 Ų | 55 | 89.4 Ų | 89.4 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A490 Q491 Q497 A498 | A490-A494 WeakPolarHBondContact O-CB 3.36Å; A490-A494 PolarHBondContact O-N 2.86Å; Q491-A494 PolarHBondContact O-N 2.9Å; A494-Q497 PolarHBondContact O-N 3.45Å; A494-A498 WeakPolarHBondContact O-CB 3.18Å; A494-A498 PolarHBondContact O-N 3.05Å |
| 495 | Q | 93.9 | Very high | 93.1 | Very high | 126 Ų | 126 | 89.8 Ų | 89.8 | 59% | 0.589 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 174.4 | -73.7 | 176.4 | 1.1 | 0 | 0 | 112 | Q491 A492 Q493 Q497 A498 Q499 | Q491-Q495 WeakPolarHBondContact O-CG 3.08Å; Q491-Q495 PolarHBondContact O-N 2.85Å; A492-Q495 PolarHBondContact O-N 3.45Å; Q493-Q495 PolarHBondContact O-N 3.2Å; Q495-Q497 PolarHBondContact O-N 3.23Å; Q495-A498 PolarHBondContact O-N 3.13Å; Q495-Q499 WeakPolarHBondContact O-CG 3.38Å; Q495-Q499 PolarHBondContact O-N 3.35Å |
| 496 | A | 93.4 | Very high | 92.7 | Very high | 55 Ų | 55 | 89.2 Ų | 89.2 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A492 Q493 Q499 A500 | A492-A496 WeakPolarHBondContact O-CB 3.39Å; A492-A496 PolarHBondContact O-N 2.95Å; Q493-A496 PolarHBondContact O-N 3.38Å; A496-Q499 PolarHBondContact O-N 3.42Å; A496-A500 WeakPolarHBondContact O-CB 3.37Å; A496-A500 PolarHBondContact O-N 2.86Å |
| 497 | Q | 93.3 | Very high | 92.1 | Very high | 127 Ų | 127 | 89.2 Ų | 89.2 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 174.3 | -73.7 | 175.4 | -0.8 | 0 | 0 | 112 | Q493 A494 Q495 Q499 A500 Q501 | Q493-Q497 WeakPolarHBondContact O-CG 3.47Å; Q493-Q497 PolarHBondContact O-N 2.78Å; A494-Q497 PolarHBondContact O-N 3.45Å; Q495-Q497 PolarHBondContact O-N 3.23Å; Q497-Q499 PolarHBondContact O-N 2.77Å; Q497-A500 PolarHBondContact O-N 3.41Å; Q497-Q501 WeakPolarHBondContact O-CG 3.47Å; Q497-Q501 PolarHBondContact O-N 3.49Å |
| 498 | A | 93.1 | Very high | 91.6 | Very high | 54 Ų | 54 | 86.2 Ų | 86.2 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A494 Q495 Q501 A502 | A494-A498 WeakPolarHBondContact O-CB 3.18Å; A494-A498 PolarHBondContact O-N 3.05Å; Q495-A498 PolarHBondContact O-N 3.13Å; A498-Q501 PolarHBondContact O-N 3.02Å; A498-A502 WeakPolarHBondContact O-CB 3.42Å; A498-A502 PolarHBondContact O-N 3.3Å |
| 499 | Q | 92.7 | Very high | 91 | Very high | 122 Ų | 122 | 89.6 Ų | 89.6 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 174.3 | -73.7 | 175.4 | 2.9 | 0 | 0 | 112 | Q495 A496 Q497 Q501 A502 Q503 | Q495-Q499 WeakPolarHBondContact O-CG 3.38Å; Q495-Q499 PolarHBondContact O-N 3.35Å; A496-Q499 PolarHBondContact O-N 3.42Å; Q497-Q499 PolarHBondContact O-N 2.77Å; Q499-Q501 PolarHBondContact O-N 2.73Å; Q499-A502 PolarHBondContact O-N 3.35Å; Q499-Q503 WeakPolarHBondContact O-CG 3.46Å; Q499-Q503 PolarHBondContact O-N 2.94Å |
| 500 | A | 91.7 | Very high | 90.3 | Very high | 54 Ų | 54 | 89.2 Ų | 89.2 | 45% | 0.446 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A496 Q497 Q503 A504 | A496-A500 WeakPolarHBondContact O-CB 3.37Å; A496-A500 PolarHBondContact O-N 2.86Å; Q497-A500 PolarHBondContact O-N 3.41Å; A500-Q503 PolarHBondContact O-N 3.07Å; A500-A504 WeakPolarHBondContact O-CB 3.47Å; A500-A504 PolarHBondContact O-N 2.75Å |
| 501 | Q | 91.1 | Very high | 89.4 | Confident | 133 Ų | 133 | 92.8 Ų | 92.8 | 62% | 0.621 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 173.6 | -73.5 | 175.6 | -2.2 | 0 | 0 | 111.8 | Q497 A498 Q499 A504 S505 | Q497-Q501 WeakPolarHBondContact O-CG 3.47Å; Q497-Q501 PolarHBondContact O-N 3.49Å; A498-Q501 PolarHBondContact O-N 3.02Å; Q499-Q501 PolarHBondContact O-N 2.73Å; Q501-A504 PolarHBondContact O-N 2.91Å; Q501-S505 WeakPolarHBondContact O-CB 3.26Å; Q501-S505 PolarHBondContact O-N 3.12Å; Q501-S505 PolarHBondContact O-OG 2.89Å |
| 502 | A | 90.8 | Very high | 88.4 | Confident | 46 Ų | 46 | 92.9 Ų | 92.9 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A498 Q499 S505 Q506 | A498-A502 WeakPolarHBondContact O-CB 3.42Å; A498-A502 PolarHBondContact O-N 3.3Å; Q499-A502 PolarHBondContact O-N 3.35Å; A502-S505 WeakPolarHBondContact O-CB 3.44Å; A502-S505 PolarHBondContact O-N 2.86Å; A502-Q506 WeakPolarHBondContact O-CG 3.46Å; A502-Q506 PolarHBondContact O-N 3.48Å |
| 503 | Q | 90.1 | Very high | 87.3 | Confident | 129 Ų | 129 | 96.2 Ų | 96.2 | 60% | 0.603 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 175.1 | -73 | 173.9 | -3.9 | 0 | 0 | 112 | Q499 A500 S505 Q506 A507 | Q499-Q503 WeakPolarHBondContact O-CG 3.46Å; Q499-Q503 PolarHBondContact O-N 2.94Å; A500-Q503 PolarHBondContact O-N 3.07Å; Q503-S505 VanDerWaalsContact C-N 3.29Å; Q503-S505 PolarHBondContact O-N 3.26Å; Q503-Q506 PolarHBondContact O-N 2.86Å; Q503-A507 WeakPolarHBondContact O-CB 3.21Å; Q503-A507 PolarHBondContact O-N 3Å |
| 504 | A | 88.8 | Confident | 86 | Confident | 62 Ų | 62 | 96.3 Ų | 96.3 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A500 Q501 S508 | A500-A504 WeakPolarHBondContact O-CB 3.47Å; A500-A504 PolarHBondContact O-N 2.75Å; Q501-A504 PolarHBondContact O-N 2.91Å; A504-S508 WeakPolarHBondContact O-CB 3.4Å; A504-S508 PolarHBondContact O-N 3.12Å; A504-S508 PolarHBondContact O-OG 3.37Å |
| 505 | S | 88.8 | Confident | 84.5 | Confident | 64 Ų | 64 | 101 Ų | 101 | 45% | 0.448 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.3 | -39 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 112 | Q501 A502 Q503 S508 Q509 | Q501-S505 WeakPolarHBondContact O-CB 3.26Å; Q501-S505 PolarHBondContact O-N 3.12Å; Q501-S505 PolarHBondContact O-OG 2.89Å; A502-S505 WeakPolarHBondContact O-CB 3.44Å; A502-S505 PolarHBondContact O-N 2.86Å; Q503-S505 VanDerWaalsContact C-N 3.29Å; Q503-S505 PolarHBondContact O-N 3.26Å; S505-S508 PolarHBondContact O-OG 2.85Å; S505-S508 VanDerWaalsContact O-OG 3.1Å; S505-Q509 WeakPolarHBondContact O-CG 3.47Å; S505-Q509 PolarHBondContact O-N 2.98Å |
| 506 | Q | 87.1 | Confident | 82.9 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.9 | -42.8 | 175.3 | -71.1 | 173.9 | 7 | 0 | 0 | 112.1 | A502 Q503 S508 Q509 Q510 | A502-Q506 WeakPolarHBondContact O-CG 3.46Å; A502-Q506 PolarHBondContact O-N 3.48Å; Q503-Q506 PolarHBondContact O-N 2.86Å; Q506-S508 PolarHBondContact O-N 3.27Å; Q506-Q509 PolarHBondContact O-N 3.29Å; Q506-Q510 WeakPolarHBondContact O-CG 3.37Å; Q506-Q510 PolarHBondContact O-N 2.8Å |
| 507 | A | 83.6 | Confident | 81.3 | Confident | 54 Ų | 54 | 107.7 Ų | 107.7 | 45% | 0.446 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.3 | -43 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q503 Q510 Q511 | Q503-A507 WeakPolarHBondContact O-CB 3.21Å; Q503-A507 PolarHBondContact O-N 3Å; A507-Q510 PolarHBondContact O-N 2.9Å; A507-Q511 WeakPolarHBondContact O-CB 3.18Å; A507-Q511 PolarHBondContact O-N 3.31Å |
| 508 | S | 83.9 | Confident | 79.3 | Confident | 64 Ų | 64 | 109.5 Ų | 109.5 | 45% | 0.448 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -37.4 | 176.5 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | A504 S505 Q506 Q511 Q512 | A504-S508 WeakPolarHBondContact O-CB 3.4Å; A504-S508 PolarHBondContact O-N 3.12Å; A504-S508 PolarHBondContact O-OG 3.37Å; S505-S508 PolarHBondContact O-OG 2.85Å; S505-S508 VanDerWaalsContact O-OG 3.1Å; Q506-S508 PolarHBondContact O-N 3.27Å; S508-Q511 PolarHBondContact O-N 3.43Å; S508-Q512 WeakPolarHBondContact O-CB 3.14Å; S508-Q512 PolarHBondContact O-N 3.02Å |
| 509 | Q | 81.3 | Confident | 77.5 | Confident | 125 Ų | 125 | 112.2 Ų | 112.2 | 58% | 0.584 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.5 | -43.2 | 171.8 | -73.6 | 177.1 | 13.4 | 0 | 0 | 112.6 | S505 Q506 Q512 Q513 | S505-Q509 WeakPolarHBondContact O-CG 3.47Å; S505-Q509 PolarHBondContact O-N 2.98Å; Q506-Q509 PolarHBondContact O-N 3.29Å; Q509-Q512 PolarHBondContact O-N 3.05Å; Q509-Q513 PolarHBondContact O-N 3.5Å |
| 510 | Q | 79.6 | Confident | 75.2 | Confident | 122 Ų | 122 | 112 Ų | 112 | 57% | 0.57 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.2 | -42.4 | 175.8 | -71.2 | 179.2 | 9.4 | 0 | 0 | 112 | Q506 A507 Q512 Q513 Q514 | Q506-Q510 WeakPolarHBondContact O-CG 3.37Å; Q506-Q510 PolarHBondContact O-N 2.8Å; A507-Q510 PolarHBondContact O-N 2.9Å; Q510-Q512 VanDerWaalsContact C-N 3.3Å; Q510-Q512 PolarHBondContact O-N 3.4Å; Q510-Q513 PolarHBondContact O-N 3.44Å; Q510-Q514 PolarHBondContact O-N 3.4Å |
| 511 | Q | 76.8 | Confident | 73.3 | Confident | 130 Ų | 130 | 115.5 Ų | 115.5 | 61% | 0.607 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.7 | -36.2 | 178.4 | -161.2 | 169.6 | 39.2 | 0 | 0 | 111.8 | A507 S508 Q514 Q515 | A507-Q511 WeakPolarHBondContact O-CB 3.18Å; A507-Q511 PolarHBondContact O-N 3.31Å; S508-Q511 PolarHBondContact O-N 3.43Å; Q511-Q514 PolarHBondContact O-N 3.47Å; Q511-Q515 PolarHBondContact O-N 3.05Å; Q511-Q515 VanDerWaalsContact O-N 3.09Å |
| 512 | Q | 74.2 | Confident | 71 | Confident | 129 Ų | 129 | 118.7 Ų | 118.7 | 60% | 0.603 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70.8 | -32.4 | 175.2 | -164 | 167.1 | 54.8 | 0 | 0 | 112.8 | S508 Q509 Q510 | S508-Q512 WeakPolarHBondContact O-CB 3.14Å; S508-Q512 PolarHBondContact O-N 3.02Å; Q509-Q512 PolarHBondContact O-N 3.05Å; Q510-Q512 VanDerWaalsContact C-N 3.3Å; Q510-Q512 PolarHBondContact O-N 3.4Å |
| 513 | Q | 71.8 | Confident | 68.5 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 58% | 0.584 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.8 | -40.3 | 169.9 | -73.3 | -178.4 | -3.5 | 0 | 0 | 112.3 | Q509 Q510 Q515 Q516 | Q509-Q513 PolarHBondContact O-N 3.5Å; Q510-Q513 PolarHBondContact O-N 3.44Å; Q513-Q515 PolarHBondContact O-N 3.19Å; Q513-Q516 PolarHBondContact O-N 2.94Å |
| 514 | Q | 66.3 | Low | 66 | Low | 129 Ų | 129 | 128.7 Ų | 128.7 | 60% | 0.603 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -65.4 | -36.1 | 177.2 | -73.2 | -177.2 | 0 | 0 | 0 | 112.7 | Q510 Q511 Q516 Q517 | Q510-Q514 PolarHBondContact O-N 3.4Å; Q511-Q514 PolarHBondContact O-N 3.47Å; Q514-Q516 PolarHBondContact O-N 2.9Å; Q514-Q517 PolarHBondContact O-N 3.34Å; Q514-Q517 VanDerWaalsContact O-N 3.08Å |
| 515 | Q | 62.3 | Low | 63.4 | Low | 154 Ų | 154 | 130.6 Ų | 130.6 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -64.6 | -21.5 | 174.8 | -81 | -173.5 | -13.4 | 0 | 0 | 113.9 | Q511 Q513 Q517 | Q511-Q515 PolarHBondContact O-N 3.05Å; Q511-Q515 VanDerWaalsContact O-N 3.09Å; Q513-Q515 PolarHBondContact O-N 3.19Å; Q515-Q517 VanDerWaalsContact C-N 3.25Å; Q515-Q517 PolarHBondContact O-N 3.4Å |
| 516 | Q | 60.6 | Low | 61.6 | Low | 165 Ų | 165 | 133.8 Ų | 133.8 | 77% | 0.771 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -0.2 | 174.3 | -66.2 | -179.4 | 5.8 | 0 | 0 | 113.5 | Q513 Q514 | Q513-Q516 PolarHBondContact O-N 2.94Å; Q514-Q516 PolarHBondContact O-N 2.9Å |
| 517 | Q | 59.2 | Low | 58.9 | Low | 156 Ų | 156 | 131.6 Ų | 131.6 | 73% | 0.729 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | 4.7 | -173.8 | -62.4 | -176.9 | 9.6 | 0 | 0 | 114.5 | Q514 Q515 | Q514-Q517 PolarHBondContact O-N 3.34Å; Q514-Q517 VanDerWaalsContact O-N 3.08Å; Q515-Q517 VanDerWaalsContact C-N 3.25Å; Q515-Q517 PolarHBondContact O-N 3.4Å |
| 518 | Q | 51 | Low | 56.5 | Low | 165 Ų | 165 | 134.2 Ų | 134.2 | 77% | 0.771 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 128.2 | -179.6 | -66.7 | -156.8 | -19.8 | 0 | 0 | 113.5 | ||
| 519 | P | 55.1 | Low | 54.3 | Low | 110 Ų | 110 | 135.5 Ų | 135.5 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 160.1 | 164.5 | -18 | 32.2 | 0 | 0 | 0 | 112.1 | ||
| 520 | P | 45.9 | Very low | 52.8 | Low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 143.6 | -179.1 | 28 | -35 | 0 | 0 | 0 | 112.5 | ||
| 521 | P | 51.3 | Low | 50.7 | Low | 127 Ų | 127 | 138.1 Ų | 138.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 142.1 | -173.9 | 30.9 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 522 | H | 42.7 | Very low | 48.7 | Very low | 200 Ų | 200 | 135.8 Ų | 135.8 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 151.9 | 168.3 | -95.6 | -98.9 | 0 | 0 | 0 | 112.3 | ||
| 523 | F | 38.8 | Very low | 46.8 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 130.5 | -170.6 | -156.8 | -84 | 0 | 0 | 0 | 111.5 | ||
| 524 | Q | 37.6 | Very low | 45 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -158.2 | 166.7 | 161.3 | -122.6 | 165.3 | 64.6 | 0 | 0 | 113.8 | ||||
| 525 | S | 33 | Very low | 43.5 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | -113.4 | 167.7 | -156.6 | -103.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 526 | P | 50.7 | Low | 42.2 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | trans | -87.6 | 162.7 | -163.2 | 35.2 | -37.9 | 0 | 0 | 0 | 115.2 | ||||
| 527 | G | 31.7 | Very low | 40.9 | Very low | 73 Ų | 73 | 125.3 Ų | 125.3 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | -162.6 | 129.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 528 | A | 32.2 | Very low | 40 | Very low | 109 Ų | 109 | 123.2 Ų | 123.2 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | 64.5 | 140 | 156.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 529 | A | 37.3 | Very low | 39.4 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | trans | -110.3 | -157.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 530 | P | 50.8 | Low | 39.1 | Very low | 106 Ų | 106 | 123 Ų | 123 | 69% | 0.688 | 82% | 0.819 | S | S | * | * | cis | -145.3 | -165.1 | 4.4 | 44.4 | -23.2 | 0 | 0 | 0 | 116.7 | ||||
| 531 | Q | 36.3 | Very low | 38.7 | Very low | 197 Ų | 197 | 124.6 Ų | 124.6 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | 73.1 | 149.6 | 156.8 | -69.6 | 179.8 | 28.6 | 0 | 0 | 120.8 | ||||
| 532 | G | 34 | Very low | 38.8 | Very low | 81 Ų | 81 | 123.3 Ų | 123.3 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 147.3 | 75 | 168 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 533 | G | 33.9 | Very low | 39.3 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -83.3 | -176.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 534 | G | 34.1 | Very low | 40.1 | Very low | 82 Ų | 82 | 116.5 Ų | 116.5 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 121.2 | 97 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 535 | G | 36 | Very low | 39.9 | Very low | 87 Ų | 87 | 115.6 Ų | 115.6 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | 75.8 | 151.6 | 129.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 536 | G | 35.1 | Very low | 39.9 | Very low | 68 Ų | 68 | 116.6 Ų | 116.6 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 107.7 | 78.1 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 537 | D | 32.4 | Very low | 39 | Very low | 157 Ų | 157 | 115.8 Ų | 115.8 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | 25.6 | 154.2 | 139.7 | -62.3 | -72.7 | 0 | 0 | 0 | 125.8 | ||||
| 538 | S | 40.9 | Very low | 39.1 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 81.9 | 83.8 | 152 | -57.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 539 | N | 36.9 | Very low | 39.1 | Very low | 158 Ų | 158 | 123.2 Ų | 123.2 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | 20 | 153.8 | 115.1 | -141.8 | 24.3 | 0 | 0 | 0 | 120.6 | |||||
| 540 | P | 50.5 | Low | 39.1 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | -122.3 | 165.5 | -71.9 | 38.3 | -24 | 0 | 0 | 0 | 113.2 | |||||
| 541 | N | 37.5 | Very low | 38.6 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -113.8 | 132.6 | -171.3 | -171.5 | 31.6 | 0 | 0 | 0 | 114.1 | ||||
| 542 | P | 51.8 | Low | 39.1 | Very low | 99 Ų | 99 | 123 Ų | 123 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86 | 153.1 | 167.9 | 34.5 | -34.4 | 0 | 0 | 0 | 113.1 | ||
| 543 | P | 54.6 | Low | 39 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 155.7 | 179.6 | 32.6 | -35.3 | 0 | 0 | 0 | 113.7 | ||
| 544 | P | 55.7 | Low | 39.1 | Very low | 123 Ų | 123 | 135.3 Ų | 135.3 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 161.4 | -167.5 | 35.9 | -37.5 | 0 | 0 | 0 | 115.7 | ||
| 545 | Q | 31.7 | Very low | 39.1 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 146 | 162 | -77.6 | -79.5 | -10.1 | 0 | 0 | 110.9 | ||
| 546 | C | 33.3 | Very low | 39 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -143.4 | 133 | 161.5 | -93.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 547 | S | 33.3 | Very low | 39 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -91.9 | 151.5 | -171.3 | -40.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 548 | F | 32.4 | Very low | 39.1 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -143.6 | 137.7 | 153.3 | -125.1 | -88.2 | 0 | 0 | 0 | 109.7 | ||||
| 549 | D | 32.5 | Very low | 38.8 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -129.3 | 141.6 | -175.2 | -170.1 | -5.2 | 0 | 0 | 0 | 108.8 | ||||
| 550 | L | 38.3 | Very low | 38.9 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -158.4 | 114.4 | 179.7 | -107 | 159.8 | 0 | 0 | 0 | 109.7 | ||||
| 551 | T | 38.5 | Very low | 38.2 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 145.3 | -169.8 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 552 | P | 47.8 | Very low | 38.2 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 142.4 | 169.1 | 33.9 | -32.5 | 0 | 0 | 0 | 112.3 | ||
| 553 | Y | 32.8 | Very low | 37.2 | Very low | 232 Ų | 232 | 146.5 Ų | 146.5 | 91% | 0.91 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 160.9 | 173.2 | -111.8 | -97.7 | 0 | 0 | 0 | 112.6 | ||
| 554 | K | 35.6 | Very low | 36.3 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 141.3 | -171.7 | -73 | 174.7 | 171.3 | 176 | 0 | 115.3 | ||
| 555 | T | 33.3 | Very low | 35.4 | Very low | 135 Ų | 135 | 148.7 Ų | 148.7 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | -160.9 | 126.3 | 124.3 | 34.1 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 556 | A | 33.9 | Very low | 35.5 | Very low | 85 Ų | 85 | 146.5 Ų | 146.5 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | cis | 79.2 | 99 | 42.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 557 | E | 36 | Very low | 35.5 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | 167.1 | 141.9 | 115.4 | -81.3 | -95.9 | 82.6 | 0 | 0 | 114.2 | |||||
| 558 | H | 34.2 | Very low | 35.7 | Very low | 137 Ų | 137 | 147 Ų | 147 | 63% | 0.634 | 78% | 0.778 | S | S | * | * | trans | 62.2 | 103.5 | 148.1 | -90.5 | -112.9 | 0 | 0 | 0 | 125.9 | ||||
| 559 | H | 35.2 | Very low | 35.8 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 63% | 0.625 | 77% | 0.772 | S | S | * | * | 70.6 | 106.1 | 116.4 | -90.5 | -94.5 | 0 | 0 | 0 | 123.1 | |||||
| 560 | K | 37 | Very low | 36 | Very low | 194 Ų | 194 | 142 Ų | 142 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | 179.1 | 147.7 | 91.7 | -100.9 | 162.7 | -174.7 | 174.1 | 0 | 114.1 | |||||
| 561 | D | 36.8 | Very low | 35.9 | Very low | 134 Ų | 134 | 142 Ų | 142 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | -83 | 159.4 | -177.5 | -45.8 | -100 | 0 | 0 | 0 | 114.4 | ||||
| 562 | I | 36.6 | Very low | 35.6 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | -157.9 | 119.9 | 122.4 | -94 | 148 | 0 | 0 | 0 | 107.3 | |||||
| 563 | C | 32.7 | Very low | 35 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | trans | -108.3 | 132.3 | 174.9 | -72 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 564 | L | 35.2 | Very low | 35.4 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -110.4 | 106.4 | 168.8 | -86.8 | 165.2 | 0 | 0 | 0 | 109.3 | ||||
| 565 | T | 35.5 | Very low | 35.5 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -79 | 123.3 | 178.5 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 566 | V | 33.7 | Very low | 35.8 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | -98.5 | 108.6 | 169.5 | 178.3 | 0 | 0 | 0 | 0 | 109 | T568 | V566-T568 PolarHBondContact O-N 3.47Š| ||
| 567 | T | 34.6 | Very low | 36.4 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -79.4 | 112.4 | 176.9 | 49.6 | 0 | 0 | 0 | 0 | 111.1 | S569 | T567-S569 PolarHBondContact O-N 3.16Š| ||
| 568 | T | 36.1 | Very low | 36.8 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -83.5 | 97.3 | 174.1 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | V566 T570 | V566-T568 PolarHBondContact O-N 3.47Å; T568-T570 PolarHBondContact O-N 3.43Å | ||
| 569 | S | 35.9 | Very low | 37.3 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -74.5 | 109.6 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | T567 I571 | T567-S569 PolarHBondContact O-N 3.16Å; S569-I571 PolarHBondContact O-N 2.78Å | ||
| 570 | T | 36.8 | Very low | 37.5 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -75.1 | 112.9 | 171.2 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | T568 | T568-T570 PolarHBondContact O-N 3.43Š| ||
| 571 | I | 35.5 | Very low | 37.5 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | trans | -88.3 | 117.6 | 170.6 | -62.1 | 178.3 | 0 | 0 | 0 | 108.5 | S569 | S569-I571 PolarHBondContact O-N 2.78Š| ||
| 572 | Q | 33.1 | Very low | 37.5 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | trans | -75.7 | 144.2 | 173.3 | -68.5 | 171.2 | -28.2 | 0 | 0 | 110.2 | ||||
| 573 | V | 34.7 | Very low | 37.6 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -99.8 | 105.6 | 172 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 574 | E | 41.1 | Very low | 37.9 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -71 | 136.5 | 174.9 | -71.2 | -168 | 116.3 | 0 | 0 | 111.6 | ||||
| 575 | H | 36.8 | Very low | 38.1 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 86% | 0.856 | 83% | 0.827 | S | S | * | * | trans | -99.7 | 99.5 | -179.2 | -140.4 | -91.9 | 0 | 0 | 0 | 108.7 | ||||
| 576 | L | 40.3 | Very low | 38.2 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | trans | -96.3 | 124.7 | 175.9 | -88.1 | 165.4 | 0 | 0 | 0 | 111.3 | ||||
| 577 | A | 45.6 | Very low | 38.6 | Very low | 76 Ų | 76 | 143.1 Ų | 143.1 | 63% | 0.628 | 83% | 0.833 | S | S | * | * | trans | -145.7 | 157.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 578 | S | 46.2 | Very low | 38.9 | Very low | 120 Ų | 120 | 145 Ų | 145 | 84% | 0.839 | 84% | 0.841 | S | S | * | * | trans | 73.3 | 144.1 | -166.2 | -40.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 579 | S | 44.8 | Very low | 39.2 | Very low | 195 Ų | 195 | 146.5 Ų | 146.5 | 100% | 1.364 | 85% | 0.847 | S | S | * | * | cis | -126.6 | 0 | 4.9 | -62.3 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 579 of 579 residues in 74.9 ms
(Link to these results)