| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 41 | Very low | 239 Ų | 239 | 162.5 Ų | 162.5 | 100% | 1.177 | 81% | 0.805 | S | S | * | * | 0 | 95.6 | 0 | -173.5 | 172.8 | -78.6 | 0 | 0 | 105.8 | |||||
| 2 | V | 35.9 | Very low | 40.8 | Very low | 140 Ų | 140 | 163.9 Ų | 163.9 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -90.2 | 125.4 | -175.4 | -68.6 | 0 | 0 | 0 | 0 | 108.3 | L4 | V2-L4 PolarHBondContact O-N 3.1Š| ||
| 3 | E | 40.6 | Very low | 40.8 | Very low | 170 Ų | 170 | 162.5 Ų | 162.5 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -70.7 | 126.3 | -177.5 | -70 | -162.2 | 144.1 | 0 | 0 | 111 | F5 | E3-F5 PolarHBondContact O-N 3.48Š| ||
| 4 | L | 44.3 | Very low | 40.6 | Very low | 150 Ų | 150 | 160.9 Ų | 160.9 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -74.5 | 99.2 | 175.9 | -137.6 | 77.1 | 0 | 0 | 0 | 108 | V2 E6 | V2-L4 PolarHBondContact O-N 3.1Å; L4-E6 PolarHBondContact O-N 3.1Å | ||
| 5 | F | 34 | Very low | 40.7 | Very low | 172 Ų | 172 | 160.1 Ų | 160.1 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -70.7 | 95.2 | 164.3 | -75 | -91 | 0 | 0 | 0 | 108.4 | E3 T7 | E3-F5 PolarHBondContact O-N 3.48Å; F5-T7 PolarHBondContact O-N 3.4Å | ||
| 6 | E | 42.3 | Very low | 41 | Very low | 179 Ų | 179 | 164 Ų | 164 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -70.8 | 79.3 | 164.9 | -84.6 | 179 | 152.4 | 0 | 0 | 109.3 | L4 N8 | L4-E6 PolarHBondContact O-N 3.1Å; E6-N8 PolarHBondContact O-N 2.79Å; E6-N8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | T | 42.6 | Very low | 41 | Very low | 112 Ų | 112 | 166.9 Ų | 166.9 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -68.3 | 105.9 | 166.2 | 52 | 0 | 0 | 0 | 0 | 108.5 | F5 T9 | F5-T7 PolarHBondContact O-N 3.4Å; T7-T9 PolarHBondContact O-N 3.34Å | ||
| 8 | N | 35.1 | Very low | 41.1 | Very low | 117 Ų | 117 | 166.8 Ų | 166.8 | 63% | 0.626 | 81% | 0.805 | S | S | * | * | trans | -36.4 | 100.2 | 170.2 | -159.8 | -32.7 | 0 | 0 | 0 | 112.5 | E6 Y10 | E6-N8 PolarHBondContact O-N 2.79Å; E6-N8 VanDerWaalsContact O-N 3.08Å; N8-Y10 PolarHBondContact O-N 3.48Å; N8-Y10 VanDerWaalsContact O-N 3.14Å; N8-Y10 WeakPolarHBondContact OD1-CD2 3.17Å | ||
| 9 | T | 44 | Very low | 41.3 | Very low | 122 Ų | 122 | 167.8 Ų | 167.8 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | G | 310 helix | trans | -71.8 | 2.5 | -177 | 42.4 | 0 | 0 | 0 | 0 | 114.2 | T7 F11 | T7-T9 PolarHBondContact O-N 3.34Å; T9-F11 VanDerWaalsContact C-N 3.34Å; T9-F11 PolarHBondContact O-N 3.44Å |
| 10 | Y | 43.3 | Very low | 41.3 | Very low | 202 Ų | 202 | 163.3 Ų | 163.3 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | G | 310 helix | trans | -84.1 | -0.6 | -176.7 | -71 | -83.5 | 0 | 0 | 0 | 115 | N8 | N8-Y10 PolarHBondContact O-N 3.48Å; N8-Y10 VanDerWaalsContact O-N 3.14Å; N8-Y10 WeakPolarHBondContact OD1-CD2 3.17Å |
| 11 | F | 46.1 | Very low | 41.1 | Very low | 184 Ų | 184 | 162.1 Ų | 162.1 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -92.2 | -12.6 | -178.8 | -104.3 | -86.7 | 0 | 0 | 0 | 115.3 | T9 | T9-F11 VanDerWaalsContact C-N 3.34Å; T9-F11 PolarHBondContact O-N 3.44Å |
| 12 | F | 39.6 | Very low | 41 | Very low | 180 Ų | 180 | 160.5 Ų | 160.5 | 79% | 0.789 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -100.4 | -7.6 | -171.3 | -102.2 | -84.6 | 0 | 0 | 0 | 115.9 | D14 | F12-D14 VanDerWaalsContact C-N 3.34Å; F12-D14 PolarHBondContact O-N 3.02Å |
| 13 | N | 40.8 | Very low | 40.9 | Very low | 145 Ų | 145 | 156.8 Ų | 156.8 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -9.1 | -173.3 | -126.4 | 9.5 | 0 | 0 | 0 | 114.4 | ||
| 14 | D | 37.8 | Very low | 41.6 | Very low | 141 Ų | 141 | 154.3 Ų | 154.3 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -6.3 | -172.4 | -127.8 | -2.7 | 0 | 0 | 0 | 113.9 | F12 | F12-D14 VanDerWaalsContact C-N 3.34Å; F12-D14 PolarHBondContact O-N 3.02Å |
| 15 | L | 41.7 | Very low | 41.1 | Very low | 149 Ų | 149 | 154.1 Ų | 154.1 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -94.5 | -11.7 | 177.4 | -105.2 | 93.8 | 0 | 0 | 0 | 114.5 | ||
| 16 | R | 44.8 | Very low | 41.3 | Very low | 222 Ų | 222 | 153.1 Ų | 153.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 1.8 | -177 | -72.1 | -91 | -84.8 | 153 | -3.1 | 113.8 | ||
| 17 | Y | 41.1 | Very low | 41.2 | Very low | 213 Ų | 213 | 152.5 Ų | 152.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 2.4 | -177 | -155 | -98.3 | 0 | 0 | 0 | 114.3 | ||
| 18 | L | 44 | Very low | 40.7 | Very low | 165 Ų | 165 | 154.3 Ų | 154.3 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -118.6 | 3.7 | -177.5 | -97.2 | 155.1 | 0 | 0 | 0 | 114.6 | ||
| 19 | E | 45 | Very low | 41 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | trans | -124.7 | 90.5 | 178.7 | -163.8 | 162.9 | -143.6 | 0 | 0 | 109.3 | ||||
| 20 | G | 39.8 | Very low | 40.7 | Very low | 77 Ų | 77 | 157.5 Ų | 157.5 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 178.2 | 57 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 21 | D | 37.2 | Very low | 40.7 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -158.5 | 78.2 | 151.9 | -160 | 21.7 | 0 | 0 | 0 | 112.3 | ||||
| 22 | H | 40.9 | Very low | 40.1 | Very low | 204 Ų | 204 | 147.3 Ų | 147.3 | 94% | 0.944 | 79% | 0.789 | S | S | * | * | trans | -152.8 | 92.8 | 154.1 | -69.3 | -49 | 0 | 0 | 0 | 109.1 | ||||
| 23 | G | 34.1 | Very low | 40 | Very low | 62 Ų | 62 | 145.2 Ų | 145.2 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | -177.5 | 122.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 24 | P | 54.8 | Low | 39.6 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -72 | 155.3 | -178 | 34.1 | -32.8 | 0 | 0 | 0 | 108.3 | ||||
| 25 | L | 34.6 | Very low | 40 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | 167 | 138.9 | 135.2 | -88.9 | 174.6 | 0 | 0 | 0 | 112.8 | ||||
| 26 | Q | 37.7 | Very low | 39.8 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | 79.8 | 94.1 | 140.8 | -67.2 | 170.1 | 79.1 | 0 | 0 | 119.1 | L28 | Q26-L28 PolarHBondContact O-N 3.01Š| ||
| 27 | H | 39.3 | Very low | 39.5 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | 19.3 | 102.6 | 113.3 | -179.2 | -83 | 0 | 0 | 0 | 115.2 | |||||
| 28 | L | 33.8 | Very low | 39.4 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -149.9 | 101.2 | 155.3 | -130.4 | 77.8 | 0 | 0 | 0 | 109.3 | Q26 | Q26-L28 PolarHBondContact O-N 3.01Š| ||
| 29 | D | 41 | Very low | 38.9 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -56.3 | 129.2 | 156.1 | -93.6 | -48.6 | 0 | 0 | 0 | 109.1 | ||||
| 30 | M | 38.1 | Very low | 38.6 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 80% | 0.803 | 78% | 0.781 | S | S | * | * | trans | -149.6 | 106.1 | 156.1 | -159.9 | 66 | 69.3 | 0 | 0 | 110.6 | G32 | M30-G32 PolarHBondContact O-N 3.46Š| ||
| 31 | A | 41.9 | Very low | 38.7 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -55 | 125.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 32 | G | 34.7 | Very low | 38.9 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -139.7 | 88.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | M30 | M30-G32 PolarHBondContact O-N 3.46Š| ||
| 33 | V | 36.4 | Very low | 39.4 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -55.6 | 131.3 | 174.7 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 34 | S | 33.3 | Very low | 39.4 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -144.4 | 129.8 | 149.2 | -88.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 35 | P | 45.6 | Very low | 38.6 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | trans | -90.9 | 162.8 | -173 | 37.4 | -33.9 | 0 | 0 | 0 | 111.7 | ||||
| 36 | L | 37.7 | Very low | 39.1 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | 122 | 77.5 | 159.6 | -66 | 165.5 | 0 | 0 | 0 | 114.8 | ||||
| 37 | Y | 38.7 | Very low | 38.8 | Very low | 234 Ų | 234 | 134 Ų | 134 | 92% | 0.918 | 80% | 0.8 | S | S | * | * | -158.1 | 121.8 | 108.7 | -130.6 | -98.8 | 0 | 0 | 0 | 108.9 | |||||
| 38 | H | 38.6 | Very low | 38.6 | Very low | 181 Ų | 181 | 130 Ų | 130 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -95 | 121.9 | 174 | -150.1 | 46.1 | 0 | 0 | 0 | 106.8 | ||||
| 39 | G | 33.2 | Very low | 38.7 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | -160.2 | 73.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 40 | N | 39.1 | Very low | 39.2 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -96.8 | 128.2 | 167.4 | -79.5 | 14.2 | 0 | 0 | 0 | 108.4 | ||||
| 41 | D | 41.8 | Very low | 39.5 | Very low | 170 Ų | 170 | 126.3 Ų | 126.3 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -157.4 | 113.7 | 133.7 | -87.5 | -46 | 0 | 0 | 0 | 110 | ||||
| 42 | S | 41.6 | Very low | 39.6 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -44.9 | 177.7 | 175.6 | -69 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 43 | P | 50.5 | Low | 40 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | cis | -146.6 | 156 | 23.7 | 38 | -14.8 | 0 | 0 | 0 | 121.2 | ||||
| 44 | L | 34.2 | Very low | 40.2 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 38.7 | 121 | 135.5 | -63.8 | 159.5 | 0 | 0 | 0 | 122.4 | ||||
| 45 | S | 38.3 | Very low | 40.3 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | -173.5 | 158.3 | 120.3 | -93.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 46 | P | 46 | Very low | 40 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -118.5 | 164.3 | -137.6 | 40.4 | -30.4 | 0 | 0 | 0 | 116.4 | ||||
| 47 | G | 31.8 | Very low | 40.5 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 134.9 | 125.2 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 48 | G | 34.1 | Very low | 41.1 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 132.3 | 95.8 | 153 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 49 | D | 36.4 | Very low | 41.4 | Very low | 167 Ų | 167 | 118.9 Ų | 118.9 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -75.3 | 176.2 | 175.7 | -101.9 | -19.3 | 0 | 0 | 0 | 114 | ||||
| 50 | P | 51.4 | Low | 41.7 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 63% | 0.63 | 80% | 0.796 | S | S | * | * | trans | -95.9 | 166.6 | -144.9 | 39.5 | -37.8 | 0 | 0 | 0 | 115.2 | ||||
| 51 | S | 43.3 | Very low | 42.1 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -148.4 | 112 | 159.5 | -93.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 52 | E | 45.2 | Very low | 42.2 | Very low | 167 Ų | 167 | 123.8 Ų | 123.8 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | trans | -52.8 | 127.9 | 154.5 | -33.2 | -62.6 | 137.5 | 0 | 0 | 110 | ||||
| 53 | T | 43.1 | Very low | 43 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -150.9 | 109.1 | 153.4 | -36 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 54 | G | 40.5 | Very low | 43.4 | Very low | 76 Ų | 76 | 126.5 Ų | 126.5 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | -60.1 | 141.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 55 | C | 34.8 | Very low | 44.1 | Very low | 113 Ų | 113 | 122 Ų | 122 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -138.5 | 87.9 | 166.8 | -168.8 | 0 | 0 | 0 | 0 | 107.7 | S57 | C55-S57 VanDerWaalsContact C-N 3.32Å; C55-S57 PolarHBondContact O-N 3.47Å | ||
| 56 | D | 40.1 | Very low | 44.7 | Very low | 173 Ų | 173 | 121 Ų | 121 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -57.7 | 97.3 | 154 | -92.1 | -74.1 | 0 | 0 | 0 | 107.9 | ||||
| 57 | S | 48.6 | Very low | 45 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -100.2 | 85.8 | 166.9 | -163.5 | 0 | 0 | 0 | 0 | 109.2 | C55 | C55-S57 VanDerWaalsContact C-N 3.32Å; C55-S57 PolarHBondContact O-N 3.47Å | ||
| 58 | S | 49.6 | Very low | 45.8 | Very low | 120 Ų | 120 | 121 Ų | 121 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | trans | -48.8 | 134.2 | 155.5 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 59 | G | 44.9 | Very low | 46.6 | Very low | 66 Ų | 66 | 123.5 Ų | 123.5 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | 115.7 | 52.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E61 | G59-E61 PolarHBondContact O-N 3.08Š| ||
| 60 | E | 40.3 | Very low | 47.7 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -72.8 | 86.7 | 160.2 | -167.5 | 175.3 | -179.3 | 0 | 0 | 108.4 | H62 | E60-H62 VanDerWaalsContact C-N 3.3Å; E60-H62 PolarHBondContact O-N 3.18Å; E60-H62 IonicContact OE1-CD2 2.81Å; E60-H62 IonicContact OE1-NE2 3.67Å; E60-H62 IonicContact OE2-NE2 3.12Å | ||
| 61 | E | 47.2 | Very low | 48 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -60.5 | 97.3 | 160 | -177.3 | 179.1 | -171.1 | 0 | 0 | 106.9 | G59 V63 | G59-E61 PolarHBondContact O-N 3.08Å; E61-V63 PolarHBondContact O-N 3.37Å | ||
| 62 | H | 45.3 | Very low | 49.1 | Very low | 143 Ų | 143 | 121.2 Ų | 121.2 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | trans | -61.9 | 90.2 | 167.9 | -65.5 | 148.9 | 0 | 0 | 0 | 107.8 | E60 L64 | E60-H62 VanDerWaalsContact C-N 3.3Å; E60-H62 PolarHBondContact O-N 3.18Å; E60-H62 IonicContact OE1-CD2 2.81Å; E60-H62 IonicContact OE1-NE2 3.67Å; E60-H62 IonicContact OE2-NE2 3.12Å; H62-L64 VanDerWaalsContact C-N 3.33Å; H62-L64 PolarHBondContact O-N 3.07Å | ||
| 63 | V | 56.8 | Low | 49.9 | Very low | 119 Ų | 119 | 115.7 Ų | 115.7 | 72% | 0.721 | 71% | 0.709 | S | S | * | * | trans | -57.5 | 104.8 | 165.6 | -179.9 | 0 | 0 | 0 | 0 | 105.6 | E61 A65 | E61-V63 PolarHBondContact O-N 3.37Å; V63-A65 PolarHBondContact O-N 3.27Å; V63-A65 VanDerWaalsContact O-N 3.16Å | ||
| 64 | L | 60.6 | Low | 51 | Low | 156 Ų | 156 | 117.7 Ų | 117.7 | 82% | 0.817 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 125.9 | 173.6 | -69.2 | 171.2 | 0 | 0 | 0 | 107.5 | H62 | H62-L64 VanDerWaalsContact C-N 3.33Å; H62-L64 PolarHBondContact O-N 3.07Å |
| 65 | A | 47.5 | Very low | 52.3 | Low | 72 Ų | 72 | 117.3 Ų | 117.3 | 60% | 0.595 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 135.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V63 | V63-A65 PolarHBondContact O-N 3.27Å; V63-A65 VanDerWaalsContact O-N 3.16Å |
| 66 | P | 51.1 | Low | 54.3 | Low | 99 Ų | 99 | 118.7 Ų | 118.7 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 135.7 | -177.5 | -29.1 | 33.1 | 0 | 0 | 0 | 111.8 | G68 | P66-G68 PolarHBondContact O-N 3.38Š|
| 67 | P | 51.5 | Low | 56.6 | Low | 144 Ų | 144 | 112 Ų | 112 | 94% | 0.935 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 84.7 | 176.4 | -17.8 | 29.9 | 0 | 0 | 0 | 110.6 | ||
| 68 | G | 50.3 | Low | 58.2 | Low | 63 Ų | 63 | 112 Ų | 112 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.5 | -15.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P66 Q70 | P66-G68 PolarHBondContact O-N 3.38Å; G68-Q70 PolarHBondContact O-N 3.41Å |
| 69 | L | 50.7 | Low | 59.7 | Low | 136 Ų | 136 | 111.1 Ų | 111.1 | 71% | 0.712 | 64% | 0.643 | S | S | * | * | trans | -92.2 | 44.2 | 166.1 | -64.3 | 174 | 0 | 0 | 0 | 111.1 | ||||
| 70 | Q | 58.5 | Low | 61.4 | Low | 160 Ų | 160 | 116.2 Ų | 116.2 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -55.7 | 130.8 | 164.1 | -78 | -87.6 | -45 | 0 | 0 | 107.8 | G68 H72 | G68-Q70 PolarHBondContact O-N 3.41Å; Q70-H72 VanDerWaalsContact C-N 3.32Å; Q70-H72 PolarHBondContact O-N 2.93Å | ||
| 71 | P | 59 | Low | 63.5 | Low | 99 Ų | 99 | 111.4 Ų | 111.4 | 64% | 0.643 | 63% | 0.63 | S | S | * | * | trans | -56.6 | 99.1 | 171.8 | -21.1 | 31.8 | 0 | 0 | 0 | 108.1 | C73 | P71-C73 PolarHBondContact O-N 3.45Š| ||
| 72 | H | 65.9 | Low | 65.3 | Low | 73 Ų | 73 | 104.7 Ų | 104.7 | 34% | 0.338 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -63.2 | 105.9 | 179 | 171.7 | -65.8 | 0 | 0 | 0 | 107.8 | Q70 C82 V84 C85 | Q70-H72 VanDerWaalsContact C-N 3.32Å; Q70-H72 PolarHBondContact O-N 2.93Å; H72-C82 PolarHBondContact CE1-SG 3.39Å; H72-V84 HydrophobicContact CB-CG1 4.02Å; H72-C85 PolarHBondContact ND1-SG 3Å |
| 73 | C | 62.7 | Low | 67 | Low | 51 Ų | 51 | 105.6 Ų | 105.6 | 35% | 0.345 | 60% | 0.603 | S | S | . | * | trans | 66.8 | 113.6 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 115.4 | P71 G75 C77 | P71-C73 PolarHBondContact O-N 3.45Å; C73-G75 PolarHBondContact O-N 2.98Å; C73-C77 HydrophobicContact CB-CB 4.09Å; C73-C77 VanDerWaalsContact CB-SG 3.58Å | ||
| 74 | E | 65.9 | Low | 68.2 | Low | 173 Ų | 173 | 102.8 Ų | 102.8 | 81% | 0.808 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -71.9 | 48.2 | 163.5 | -60.4 | 175.1 | 169.4 | 0 | 0 | 110.7 | ||
| 75 | G | 66.5 | Low | 69.2 | Low | 69 Ų | 69 | 96.1 Ų | 96.1 | 71% | 0.711 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 87.1 | 0.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | C73 C77 | C73-G75 PolarHBondContact O-N 2.98Å; G75-C77 VanDerWaalsContact C-N 3.28Å; G75-C77 PolarHBondContact O-N 3.32Å |
| 76 | Q | 78.4 | Confident | 70.8 | Confident | 142 Ų | 142 | 98 Ų | 98 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | trans | -75.3 | -9.3 | -179.1 | -60.3 | 88.1 | 2.5 | 0 | 0 | 114.9 | ||||
| 77 | C | 87.7 | Confident | 71.8 | Confident | 31 Ų | 31 | 101.6 Ų | 101.6 | 21% | 0.209 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -114.2 | 143.1 | -179 | 78.2 | 0 | 0 | 0 | 0 | 112.4 | C73 G75 I79 C82 C85 | C73-C77 HydrophobicContact CB-CB 4.09Å; C73-C77 VanDerWaalsContact CB-SG 3.58Å; G75-C77 VanDerWaalsContact C-N 3.28Å; G75-C77 PolarHBondContact O-N 3.32Å; C77-I79 PolarHBondContact O-N 3.26Å; C77-C82 HydrophobicContact CB-CB 4.07Å; C77-C85 PolarHBondContact SG-SG 3.4Å |
| 78 | L | 82.9 | Confident | 72.8 | Confident | 108 Ų | 108 | 101.6 Ų | 101.6 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | trans | -72 | 114.8 | 171 | -63.3 | 175.8 | 0 | 0 | 0 | 110 | W80 A81 C82 | L78-W80 HydrophobicContact CB-CZ2 4.47Å; L78-W80 HydrophobicContact CD1-CZ2 3.56Å; L78-W80 PolarHBondContact O-N 3.08Å; L78-W80 VanDerWaalsContact O-N 3.09Å; L78-A81 HydrophobicContact CB-CB 4.16Å; L78-A81 PolarHBondContact O-N 3.05Å; L78-C82 PolarHBondContact O-N 3.08Å | ||
| 79 | I | 79.1 | Confident | 73.9 | Confident | 101 Ų | 101 | 100.1 Ų | 100.1 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30 | -176.3 | -61.3 | 173.8 | 0 | 0 | 0 | 112.3 | C77 C85 K86 | C77-I79 PolarHBondContact O-N 3.26Å; I79-C85 HydrophobicContact CG1-CB 4.47Å; I79-C85 HydrophobicContact CG2-CB 4.44Å; I79-K86 WeakPolarHBondContact O-CB 3.35Å |
| 80 | W | 81.5 | Confident | 75.2 | Confident | 173 Ų | 173 | 96 Ų | 96 | 66% | 0.655 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -24.9 | 178.7 | 62.7 | -98.8 | 0 | 0 | 0 | 113.7 | L78 | L78-W80 HydrophobicContact CB-CZ2 4.47Å; L78-W80 HydrophobicContact CD1-CZ2 3.56Å; L78-W80 PolarHBondContact O-N 3.08Å; L78-W80 VanDerWaalsContact O-N 3.09Å |
| 81 | A | 83.6 | Confident | 76.2 | Confident | 62 Ų | 62 | 92.7 Ų | 92.7 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -34.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L78 K83 | L78-A81 HydrophobicContact CB-CB 4.16Å; L78-A81 PolarHBondContact O-N 3.05Å; A81-K83 PolarHBondContact O-N 2.84Å |
| 82 | C | 86.1 | Confident | 77.2 | Confident | 24 Ų | 24 | 92.4 Ų | 92.4 | 16% | 0.162 | 49% | 0.487 | C | S | . | . | trans | -76.4 | 123.2 | -178.7 | 176 | 0 | 0 | 0 | 0 | 112.4 | H72 C77 L78 V84 C85 K86 | H72-C82 PolarHBondContact CE1-SG 3.39Å; C77-C82 HydrophobicContact CB-CB 4.07Å; L78-C82 PolarHBondContact O-N 3.08Å; C82-V84 VanDerWaalsContact C-N 3.27Å; C82-V84 PolarHBondContact O-N 3.03Å; C82-V84 PolarHBondContact SG-N 2.76Å; C82-C85 HydrophobicContact CB-CB 4.14Å; C82-C85 PolarHBondContact O-N 3.1Å; C82-K86 WeakPolarHBondContact O-CB 3.37Å; C82-K86 PolarHBondContact O-N 3.47Å | ||
| 83 | K | 80.4 | Confident | 78.2 | Confident | 162 Ų | 162 | 93.8 Ų | 93.8 | 70% | 0.704 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -20.9 | -177 | -162.7 | 168.3 | -176.2 | 179.5 | 0 | 114.4 | A81 R87 | A81-K83 PolarHBondContact O-N 2.84Å; K83-R87 PolarHBondContact O-NE 2.93Å; K83-R87 PolarHBondContact O-NH2 3.21Å |
| 84 | V | 82.6 | Confident | 79.3 | Confident | 60 Ų | 60 | 97.5 Ų | 97.5 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -52.4 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | H72 C82 K86 R87 K88 | H72-V84 HydrophobicContact CB-CG1 4.02Å; C82-V84 VanDerWaalsContact C-N 3.27Å; C82-V84 PolarHBondContact O-N 3.03Å; C82-V84 PolarHBondContact SG-N 2.76Å; V84-K86 PolarHBondContact O-N 3.37Å; V84-R87 PolarHBondContact O-N 3.37Å; V84-K88 PolarHBondContact O-N 3.46Å |
| 85 | C | 82.1 | Confident | 80.6 | Confident | 17 Ų | 17 | 98.5 Ų | 98.5 | 12% | 0.115 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -66.4 | -35.4 | 178.7 | -66.3 | 0 | 0 | 0 | 0 | 113.5 | H72 C77 I79 C82 R87 K88 S89 | H72-C85 PolarHBondContact ND1-SG 3Å; C77-C85 PolarHBondContact SG-SG 3.4Å; I79-C85 HydrophobicContact CG1-CB 4.47Å; I79-C85 HydrophobicContact CG2-CB 4.44Å; C82-C85 HydrophobicContact CB-CB 4.14Å; C82-C85 PolarHBondContact O-N 3.1Å; C85-R87 VanDerWaalsContact C-N 3.26Å; C85-R87 PolarHBondContact O-N 3.15Å; C85-K88 PolarHBondContact O-N 2.92Å; C85-S89 PolarHBondContact O-N 3Å |
| 86 | K | 79.4 | Confident | 81.9 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 48% | 0.478 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -31.3 | 175.7 | -173.6 | 175.7 | -179.3 | 175.7 | 0 | 113 | I79 C82 V84 S89 | I79-K86 WeakPolarHBondContact O-CB 3.35Å; C82-K86 WeakPolarHBondContact O-CB 3.37Å; C82-K86 PolarHBondContact O-N 3.47Å; V84-K86 PolarHBondContact O-N 3.37Å; K86-S89 PolarHBondContact O-OG 3.42Å |
| 87 | R | 72.4 | Confident | 82.7 | Confident | 176 Ų | 176 | 97.1 Ų | 97.1 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -78.5 | -34.7 | 175.9 | -93.2 | -178.3 | -75.2 | 160.1 | -4.3 | 112.3 | K83 V84 C85 | K83-R87 PolarHBondContact O-NE 2.93Å; K83-R87 PolarHBondContact O-NH2 3.21Å; V84-R87 PolarHBondContact O-N 3.37Å; C85-R87 VanDerWaalsContact C-N 3.26Å; C85-R87 PolarHBondContact O-N 3.15Å |
| 88 | K | 72.7 | Confident | 83.1 | Confident | 144 Ų | 144 | 97.8 Ų | 97.8 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.4 | -31.5 | 175.2 | -99 | 170.8 | 170.2 | -174.4 | 0 | 112.9 | V84 C85 A90 | V84-K88 PolarHBondContact O-N 3.46Å; C85-K88 PolarHBondContact O-N 2.92Å; K88-A90 PolarHBondContact O-N 3.45Å |
| 89 | S | 73.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 96.5 Ų | 96.5 | 22% | 0.217 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -62.4 | 118 | 171 | 71.8 | 0 | 0 | 0 | 0 | 109.5 | C85 K86 P91 | C85-S89 PolarHBondContact O-N 3Å; K86-S89 PolarHBondContact O-OG 3.42Å; S89-P91 WeakPolarHBondContact O-CD 3.38Å |
| 90 | A | 78.3 | Confident | 84.7 | Confident | 50 Ų | 50 | 95.4 Ų | 95.4 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | trans | -52.9 | 108.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | K88 T92 D93 R94 | K88-A90 PolarHBondContact O-N 3.45Å; A90-T92 PolarHBondContact O-N 2.94Å; A90-T92 VanDerWaalsContact O-N 3.14Å; A90-D93 HydrophobicContact CB-CB 3.98Å; A90-D93 PolarHBondContact O-N 3.27Å; A90-R94 PolarHBondContact O-N 3.43Å | ||
| 91 | P | 79.2 | Confident | 85.5 | Confident | 91 Ų | 91 | 94.6 Ų | 94.6 | 59% | 0.591 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.1 | -28.8 | -176.8 | -25 | 35.8 | 0 | 0 | 0 | 112.4 | S89 R95 | S89-P91 WeakPolarHBondContact O-CD 3.38Å; P91-R95 WeakPolarHBondContact O-CB 3.09Å; P91-R95 PolarHBondContact O-N 3.23Å; P91-R95 VanDerWaalsContact O-N 3.13Å |
| 92 | T | 80.9 | Confident | 86.2 | Confident | 93 Ų | 93 | 95.4 Ų | 95.4 | 57% | 0.571 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | 175.2 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | A90 R95 K96 | A90-T92 PolarHBondContact O-N 2.94Å; A90-T92 VanDerWaalsContact O-N 3.14Å; T92-R95 PolarHBondContact O-N 3.03Å; T92-K96 VanDerWaalsContact O-CG 3.3Å; T92-K96 WeakPolarHBondContact O-CG 3.4Å; T92-K96 PolarHBondContact O-N 3.43Å |
| 93 | D | 85.6 | Confident | 86.8 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 178.4 | -176.6 | 45.3 | 0 | 0 | 0 | 111.6 | A90 R95 K96 A97 | A90-D93 HydrophobicContact CB-CB 3.98Å; A90-D93 PolarHBondContact O-N 3.27Å; D93-R95 VanDerWaalsContact C-N 3.26Å; D93-R95 PolarHBondContact O-N 3.18Å; D93-K96 PolarHBondContact O-N 3.34Å; D93-K96 VanDerWaalsContact O-N 3.14Å; D93-A97 WeakPolarHBondContact O-CB 3.22Å; D93-A97 PolarHBondContact O-N 3.39Å |
| 94 | R | 87.1 | Confident | 87.6 | Confident | 129 Ų | 129 | 102.1 Ų | 102.1 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57 | -40.8 | 173.4 | -65.8 | -175.6 | 68.2 | 173.1 | 3.6 | 112.3 | A90 A98 | A90-R94 PolarHBondContact O-N 3.43Å; R94-A98 WeakPolarHBondContact O-CB 3.18Å; R94-A98 PolarHBondContact O-N 2.73Å |
| 95 | R | 92.8 | Very high | 88.4 | Confident | 194 Ų | 194 | 105.2 Ų | 105.2 | 73% | 0.732 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.3 | -46.4 | 176.9 | -170 | -179 | -70.3 | -170.1 | -2.1 | 111 | P91 T92 D93 A97 A98 T99 | P91-R95 WeakPolarHBondContact O-CB 3.09Å; P91-R95 PolarHBondContact O-N 3.23Å; P91-R95 VanDerWaalsContact O-N 3.13Å; T92-R95 PolarHBondContact O-N 3.03Å; D93-R95 VanDerWaalsContact C-N 3.26Å; D93-R95 PolarHBondContact O-N 3.18Å; R95-A97 PolarHBondContact O-N 2.77Å; R95-A98 PolarHBondContact O-N 3.5Å; R95-T99 PolarHBondContact O-N 2.97Å; R95-T99 PolarHBondContact O-OG1 3.23Å; R95-T99 VanDerWaalsContact O-OG1 3.13Å |
| 96 | K | 94.3 | Very high | 89.2 | Confident | 148 Ų | 148 | 107.8 Ų | 107.8 | 64% | 0.643 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.2 | -46.2 | 175.8 | -73.2 | 174.4 | -179.5 | -176.9 | 0 | 111.6 | T92 D93 A98 T99 L100 | T92-K96 VanDerWaalsContact O-CG 3.3Å; T92-K96 WeakPolarHBondContact O-CG 3.4Å; T92-K96 PolarHBondContact O-N 3.43Å; D93-K96 PolarHBondContact O-N 3.34Å; D93-K96 VanDerWaalsContact O-N 3.14Å; K96-A98 PolarHBondContact O-N 2.91Å; K96-T99 PolarHBondContact O-N 3.29Å; K96-L100 PolarHBondContact O-N 2.82Å |
| 97 | A | 93.9 | Very high | 90.1 | Very high | 33 Ų | 33 | 109 Ų | 109 | 27% | 0.273 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | D93 R95 L100 R101 | D93-A97 WeakPolarHBondContact O-CB 3.22Å; D93-A97 PolarHBondContact O-N 3.39Å; R95-A97 PolarHBondContact O-N 2.77Å; A97-L100 PolarHBondContact O-N 3.37Å; A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 2.85Å |
| 98 | A | 95.8 | Very high | 91.4 | Very high | 46 Ų | 46 | 107.8 Ų | 107.8 | 38% | 0.38 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R94 R95 K96 L100 R101 E102 | R94-A98 WeakPolarHBondContact O-CB 3.18Å; R94-A98 PolarHBondContact O-N 2.73Å; R95-A98 PolarHBondContact O-N 3.5Å; K96-A98 PolarHBondContact O-N 2.91Å; A98-L100 VanDerWaalsContact C-N 3.31Å; A98-L100 PolarHBondContact O-N 3.32Å; A98-R101 PolarHBondContact O-N 3.13Å; A98-E102 PolarHBondContact O-N 3.37Å |
| 99 | T | 97.4 | Very high | 92.6 | Very high | 80 Ų | 80 | 103.5 Ų | 103.5 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.4 | -40.8 | 176 | -59.9 | 0 | 0 | 0 | 0 | 112 | R95 K96 E102 R103 | R95-T99 PolarHBondContact O-N 2.97Å; R95-T99 PolarHBondContact O-OG1 3.23Å; R95-T99 VanDerWaalsContact O-OG1 3.13Å; K96-T99 PolarHBondContact O-N 3.29Å; T99-E102 PolarHBondContact O-N 3.12Å; T99-R103 WeakPolarHBondContact O-CB 3.49Å; T99-R103 PolarHBondContact O-N 2.91Å |
| 100 | L | 98.1 | Very high | 93.8 | Very high | 79 Ų | 79 | 105.1 Ų | 105.1 | 41% | 0.414 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 178.2 | -174.2 | 62.6 | 0 | 0 | 0 | 111.9 | K96 A97 A98 R103 R104 | K96-L100 PolarHBondContact O-N 2.82Å; A97-L100 PolarHBondContact O-N 3.37Å; A98-L100 VanDerWaalsContact C-N 3.31Å; A98-L100 PolarHBondContact O-N 3.32Å; L100-R103 PolarHBondContact O-N 3.07Å; L100-R104 WeakPolarHBondContact O-CG 3.43Å; L100-R104 PolarHBondContact O-N 3.22Å |
| 101 | R | 98.6 | Very high | 94.7 | Very high | 156 Ų | 156 | 107.5 Ų | 107.5 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.2 | -45.2 | 173.9 | -75.4 | -173.4 | -72.5 | -102.5 | -0 | 111.6 | A97 A98 R104 R105 | A97-R101 WeakPolarHBondContact O-CG 3.43Å; A97-R101 PolarHBondContact O-N 2.85Å; A98-R101 PolarHBondContact O-N 3.13Å; R101-R104 WeakPolarHBondContact O-CB 3.49Å; R101-R104 PolarHBondContact O-N 2.71Å; R101-R105 PolarHBondContact O-N 3.29Å |
| 102 | E | 98.6 | Very high | 95.6 | Very high | 79 Ų | 79 | 106 Ų | 106 | 37% | 0.369 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 179.4 | -177.5 | 55 | -161.9 | 0 | 0 | 112.1 | A98 T99 R104 R105 L106 | A98-E102 PolarHBondContact O-N 3.37Å; T99-E102 PolarHBondContact O-N 3.12Å; E102-R104 VanDerWaalsContact C-N 3.31Å; E102-R104 PolarHBondContact O-N 3.09Å; E102-R105 VanDerWaalsContact CD-NE 3.35Å; E102-R105 WeakPolarHBondContact O-CB 3.5Å; E102-R105 PolarHBondContact O-N 3.38Å; E102-R105 IonicContact OE1-CZ 3.92Å; E102-R105 VanDerWaalsContact OE1-CZ 3.32Å; E102-R105 IonicContact OE1-NE 2.69Å; E102-R105 PolarHBondContact OE1-NE 3.48Å; E102-R105 VanDerWaalsContact OE1-NE 3.12Å; E102-R105 IonicContact OE1-NH2 3.32Å; E102-R105 PolarHBondContact OE1-NH2 3.1Å; E102-R105 WeakPolarHBondContact OE2-CD 3.43Å; E102-R105 IonicContact OE2-CZ 2.79Å; E102-R105 IonicContact OE2-NE 3.84Å; E102-R105 PolarHBondContact OE2-NE 3.48Å; E102-R105 IonicContact OE2-NH2 3.74Å; E102-L106 HydrophobicContact CG-CD1 4.24Å; E102-L106 WeakPolarHBondContact O-CG 3.25Å; E102-L106 PolarHBondContact O-N 3.25Å |
| 103 | R | 98.7 | Very high | 96.5 | Very high | 173 Ų | 173 | 103.5 Ų | 103.5 | 65% | 0.653 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -56.7 | -45.3 | 171.7 | -178.3 | -174.7 | -65.5 | -85.3 | 1.5 | 111.5 | T99 L100 L106 K107 | T99-R103 WeakPolarHBondContact O-CB 3.49Å; T99-R103 PolarHBondContact O-N 2.91Å; L100-R103 PolarHBondContact O-N 3.07Å; R103-L106 PolarHBondContact O-N 3.28Å; R103-K107 WeakPolarHBondContact O-CB 3.43Å; R103-K107 PolarHBondContact O-N 3.02Å |
| 104 | R | 98.7 | Very high | 97 | Very high | 154 Ų | 154 | 102.4 Ų | 102.4 | 58% | 0.581 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.4 | -40.6 | 177.2 | -70.9 | 171.8 | -178.1 | 178.9 | 0.3 | 111.6 | L100 R101 E102 K107 K108 | L100-R104 WeakPolarHBondContact O-CG 3.43Å; L100-R104 PolarHBondContact O-N 3.22Å; R101-R104 WeakPolarHBondContact O-CB 3.49Å; R101-R104 PolarHBondContact O-N 2.71Å; E102-R104 VanDerWaalsContact C-N 3.31Å; E102-R104 PolarHBondContact O-N 3.09Å; R104-K107 PolarHBondContact O-N 3.06Å; R104-K108 PolarHBondContact O-N 3.25Å |
| 105 | R | 98.8 | Very high | 97.6 | Very high | 125 Ų | 125 | 98.6 Ų | 98.6 | 47% | 0.472 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 175.8 | -167.3 | -168.4 | 73 | 89.9 | 5.2 | 111.5 | R101 E102 K107 K108 I109 | R101-R105 PolarHBondContact O-N 3.29Å; E102-R105 VanDerWaalsContact CD-NE 3.35Å; E102-R105 WeakPolarHBondContact O-CB 3.5Å; E102-R105 PolarHBondContact O-N 3.38Å; E102-R105 IonicContact OE1-CZ 3.92Å; E102-R105 VanDerWaalsContact OE1-CZ 3.32Å; E102-R105 IonicContact OE1-NE 2.69Å; E102-R105 PolarHBondContact OE1-NE 3.48Å; E102-R105 VanDerWaalsContact OE1-NE 3.12Å; E102-R105 IonicContact OE1-NH2 3.32Å; E102-R105 PolarHBondContact OE1-NH2 3.1Å; E102-R105 WeakPolarHBondContact OE2-CD 3.43Å; E102-R105 IonicContact OE2-CZ 2.79Å; E102-R105 IonicContact OE2-NE 3.84Å; E102-R105 PolarHBondContact OE2-NE 3.48Å; E102-R105 IonicContact OE2-NH2 3.74Å; R105-K107 VanDerWaalsContact C-N 3.32Å; R105-K107 PolarHBondContact O-N 3.4Å; R105-K108 PolarHBondContact O-N 3.13Å; R105-I109 HydrophobicContact CG-CD1 4.32Å; R105-I109 WeakPolarHBondContact O-CG1 3.36Å; R105-I109 PolarHBondContact O-N 3.22Å; R105-I109 VanDerWaalsContact O-N 3.13Å |
| 106 | L | 98.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 92 Ų | 92 | 37% | 0.366 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 178.8 | -71.4 | 173.6 | 0 | 0 | 0 | 112.6 | E102 R103 I109 N110 | E102-L106 HydrophobicContact CG-CD1 4.24Å; E102-L106 WeakPolarHBondContact O-CG 3.25Å; E102-L106 PolarHBondContact O-N 3.25Å; R103-L106 PolarHBondContact O-N 3.28Å; L106-I109 HydrophobicContact CD2-CD1 4.48Å; L106-I109 PolarHBondContact O-N 2.86Å; L106-N110 WeakPolarHBondContact O-CB 3.33Å; L106-N110 PolarHBondContact O-N 3.41Å; L106-N110 PolarHBondContact O-ND2 2.97Å |
| 107 | K | 98.6 | Very high | 98 | Very high | 135 Ų | 135 | 86.3 Ų | 86.3 | 59% | 0.587 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -57.4 | -50.3 | 173.5 | -171.8 | -178.3 | 178.4 | -173 | 0 | 111.1 | R103 R104 R105 I109 N110 E111 | R103-K107 WeakPolarHBondContact O-CB 3.43Å; R103-K107 PolarHBondContact O-N 3.02Å; R104-K107 PolarHBondContact O-N 3.06Å; R105-K107 VanDerWaalsContact C-N 3.32Å; R105-K107 PolarHBondContact O-N 3.4Å; K107-I109 VanDerWaalsContact C-N 3.33Å; K107-I109 PolarHBondContact O-N 3.13Å; K107-N110 PolarHBondContact O-N 2.93Å; K107-E111 WeakPolarHBondContact CE-OE1 3.36Å; K107-E111 WeakPolarHBondContact O-CG 3.28Å; K107-E111 PolarHBondContact O-N 2.96Å |
| 108 | K | 98.6 | Very high | 98.2 | Very high | 151 Ų | 151 | 91.9 Ų | 91.9 | 66% | 0.657 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.7 | -40.5 | 177.5 | -66.3 | -178.7 | 178.4 | -172.8 | 0 | 112.6 | R104 R105 N110 E111 A112 | R104-K108 PolarHBondContact O-N 3.25Å; R105-K108 PolarHBondContact O-N 3.13Å; K108-N110 VanDerWaalsContact C-N 3.35Å; K108-E111 PolarHBondContact O-N 3.06Å; K108-A112 PolarHBondContact O-N 3.42Å |
| 109 | I | 98.5 | Very high | 98.2 | Very high | 54 Ų | 54 | 97.1 Ų | 97.1 | 28% | 0.277 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.6 | -69.8 | 167.9 | 0 | 0 | 0 | 110.7 | R105 L106 K107 A112 F113 | R105-I109 HydrophobicContact CG-CD1 4.32Å; R105-I109 WeakPolarHBondContact O-CG1 3.36Å; R105-I109 PolarHBondContact O-N 3.22Å; R105-I109 VanDerWaalsContact O-N 3.13Å; L106-I109 HydrophobicContact CD2-CD1 4.48Å; L106-I109 PolarHBondContact O-N 2.86Å; K107-I109 VanDerWaalsContact C-N 3.33Å; K107-I109 PolarHBondContact O-N 3.13Å; I109-A112 PolarHBondContact O-N 3.06Å; I109-F113 HydrophobicContact CG2-CD2 3.93Å; I109-F113 HydrophobicContact CG2-CE2 4.14Å; I109-F113 WeakPolarHBondContact O-CD2 3.4Å; I109-F113 PolarHBondContact O-N 3.27Å |
| 110 | N | 98.2 | Very high | 98.2 | Very high | 66 Ų | 66 | 94.1 Ų | 94.1 | 35% | 0.353 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 178.7 | -68.6 | -19.6 | 0 | 0 | 0 | 111.5 | L106 K107 K108 A112 F113 D114 K130 | L106-N110 WeakPolarHBondContact O-CB 3.33Å; L106-N110 PolarHBondContact O-N 3.41Å; L106-N110 PolarHBondContact O-ND2 2.97Å; K107-N110 PolarHBondContact O-N 2.93Å; K108-N110 VanDerWaalsContact C-N 3.35Å; N110-A112 VanDerWaalsContact C-N 3.31Å; N110-A112 PolarHBondContact O-N 3.24Å; N110-F113 WeakPolarHBondContact O-CB 3.38Å; N110-F113 PolarHBondContact O-N 3.03Å; N110-F113 VanDerWaalsContact O-N 3.13Å; N110-D114 PolarHBondContact O-N 3.29Å; N110-K130 WeakPolarHBondContact OD1-CE 3.42Å; N110-K130 PolarHBondContact OD1-NZ 3.45Å |
| 111 | E | 98.4 | Very high | 98.1 | Very high | 99 Ų | 99 | 91 Ų | 91 | 46% | 0.463 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 173 | -72.7 | 166.8 | -176.3 | 0 | 0 | 111.9 | K107 K108 D114 A115 | K107-E111 WeakPolarHBondContact CE-OE1 3.36Å; K107-E111 WeakPolarHBondContact O-CG 3.28Å; K107-E111 PolarHBondContact O-N 2.96Å; K108-E111 PolarHBondContact O-N 3.06Å; E111-D114 PolarHBondContact O-N 3.42Å; E111-A115 PolarHBondContact O-N 3.11Å |
| 112 | A | 98.4 | Very high | 97.8 | Very high | 61 Ų | 61 | 89.9 Ų | 89.9 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K108 I109 N110 A115 L116 | K108-A112 PolarHBondContact O-N 3.42Å; I109-A112 PolarHBondContact O-N 3.06Å; N110-A112 VanDerWaalsContact C-N 3.31Å; N110-A112 PolarHBondContact O-N 3.24Å; A112-A115 PolarHBondContact O-N 3.47Å; A112-L116 WeakPolarHBondContact O-CB 3.27Å; A112-L116 PolarHBondContact O-N 3.19Å |
| 113 | F | 98.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 89.9 Ų | 89.9 | 18% | 0.175 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 174 | -100 | -82.8 | 0 | 0 | 0 | 112.3 | I109 N110 L116 K117 K130 I133 L134 | I109-F113 HydrophobicContact CG2-CD2 3.93Å; I109-F113 HydrophobicContact CG2-CE2 4.14Å; I109-F113 WeakPolarHBondContact O-CD2 3.4Å; I109-F113 PolarHBondContact O-N 3.27Å; N110-F113 WeakPolarHBondContact O-CB 3.38Å; N110-F113 PolarHBondContact O-N 3.03Å; N110-F113 VanDerWaalsContact O-N 3.13Å; F113-L116 PolarHBondContact O-N 3Å; F113-K117 WeakPolarHBondContact O-CB 3.46Å; F113-K117 PolarHBondContact O-N 3.44Å; F113-K130 HydrophobicContact CD1-CB 4.27Å; F113-K130 HydrophobicContact CD1-CG 4.09Å; F113-K130 HydrophobicContact CD2-CD 4.36Å; F113-K130 HydrophobicContact CE1-CB 3.7Å; F113-K130 HydrophobicContact CE1-CD 4.35Å; F113-K130 HydrophobicContact CE1-CG 3.95Å; F113-K130 HydrophobicContact CE2-CD 4.14Å; F113-K130 HydrophobicContact CG-CG 4.47Å; F113-K130 HydrophobicContact CZ-CB 4.01Å; F113-K130 HydrophobicContact CZ-CD 4.13Å; F113-K130 HydrophobicContact CZ-CG 4.23Å; F113-I133 HydrophobicContact CD1-CB 4.35Å; F113-I133 HydrophobicContact CD1-CD1 4.21Å; F113-I133 HydrophobicContact CD1-CG2 4.17Å; F113-L134 HydrophobicContact CE1-CD1 4.47Å; F113-L134 HydrophobicContact CE1-CD2 3.92Å; F113-L134 HydrophobicContact CE1-CG 3.95Å; F113-L134 HydrophobicContact CZ-CD1 4.27Å; F113-L134 HydrophobicContact CZ-CD2 3.98Å; F113-L134 HydrophobicContact CZ-CG 4.15Å |
| 114 | D | 97.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 83.6 Ų | 83.6 | 42% | 0.422 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 176.7 | -72.8 | -34.4 | 0 | 0 | 0 | 111.6 | N110 E111 K117 K118 | N110-D114 PolarHBondContact O-N 3.29Å; E111-D114 PolarHBondContact O-N 3.42Å; D114-K117 PolarHBondContact O-N 3.43Å; D114-K118 WeakPolarHBondContact O-CG 3.32Å; D114-K118 PolarHBondContact O-N 3.48Å |
| 115 | A | 97.9 | Very high | 96.9 | Very high | 48 Ų | 48 | 83.4 Ų | 83.4 | 40% | 0.397 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E111 A112 K118 K119 | E111-A115 PolarHBondContact O-N 3.11Å; A112-A115 PolarHBondContact O-N 3.47Å; A115-K118 PolarHBondContact O-N 3.4Å; A115-K119 PolarHBondContact O-N 3.09Å |
| 116 | L | 98.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 82.5 Ų | 82.5 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 175.2 | -178.7 | 62.5 | 0 | 0 | 0 | 111.2 | A112 F113 K118 K119 T120 I133 L134 A137 | A112-L116 WeakPolarHBondContact O-CB 3.27Å; A112-L116 PolarHBondContact O-N 3.19Å; F113-L116 PolarHBondContact O-N 3Å; L116-K118 VanDerWaalsContact C-N 3.3Å; L116-K118 PolarHBondContact O-N 3.28Å; L116-K119 PolarHBondContact O-N 3.11Å; L116-T120 HydrophobicContact CD1-CG2 3.73Å; L116-T120 HydrophobicContact CG-CG2 4.4Å; L116-T120 PolarHBondContact O-N 3.3Å; L116-T120 VanDerWaalsContact O-N 3.07Å; L116-T120 PolarHBondContact O-OG1 3.3Å; L116-I133 HydrophobicContact CB-CG2 4.43Å; L116-I133 HydrophobicContact CD2-CG2 4.04Å; L116-I133 HydrophobicContact CG-CG2 4.08Å; L116-L134 HydrophobicContact CD2-CD2 4.22Å; L116-A137 HydrophobicContact CD1-CB 3.85Å; L116-A137 HydrophobicContact CD2-CB 4.07Å; L116-A137 HydrophobicContact CG-CB 4.16Å |
| 117 | K | 98.1 | Very high | 96.4 | Very high | 27 Ų | 27 | 90.5 Ų | 90.5 | 12% | 0.117 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -56.6 | -44.6 | 177.9 | -171.7 | 179.1 | 66.5 | 162.6 | 0 | 111.4 | F113 D114 K119 T120 V121 P124 Q126 I133 | F113-K117 WeakPolarHBondContact O-CB 3.46Å; F113-K117 PolarHBondContact O-N 3.44Å; D114-K117 PolarHBondContact O-N 3.43Å; K117-K119 PolarHBondContact O-N 3.15Å; K117-T120 PolarHBondContact O-N 3.19Å; K117-V121 HydrophobicContact CG-CB 4.06Å; K117-V121 HydrophobicContact CG-CG2 3.87Å; K117-V121 WeakPolarHBondContact O-CB 3.36Å; K117-V121 PolarHBondContact O-N 2.85Å; K117-P124 WeakPolarHBondContact CE-O 3.31Å; K117-P124 PolarHBondContact NZ-O 3.15Å; K117-Q126 PolarHBondContact NZ-O 3.39Å; K117-Q126 VanDerWaalsContact NZ-O 3.12Å; K117-I133 HydrophobicContact CB-CD1 4.15Å; K117-I133 HydrophobicContact CB-CG1 4.35Å; K117-I133 HydrophobicContact CB-CG2 4.08Å; K117-I133 HydrophobicContact CD-CD1 3.93Å; K117-I133 HydrophobicContact CD-CG1 4.29Å; K117-I133 HydrophobicContact CG-CD1 4.2Å; K117-I133 HydrophobicContact CG-CG1 4.2Å |
| 118 | K | 97.7 | Very high | 96.2 | Very high | 150 Ų | 150 | 85.8 Ų | 85.8 | 65% | 0.652 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.5 | -28.8 | 177.2 | -73.9 | 173 | -176.9 | -179.2 | 0 | 114.3 | D114 A115 L116 P124 | D114-K118 WeakPolarHBondContact O-CG 3.32Å; D114-K118 PolarHBondContact O-N 3.48Å; A115-K118 PolarHBondContact O-N 3.4Å; L116-K118 VanDerWaalsContact C-N 3.3Å; L116-K118 PolarHBondContact O-N 3.28Å; K118-P124 HydrophobicContact CB-CB 4.49Å; K118-P124 HydrophobicContact CG-CB 4.02Å |
| 119 | K | 96.8 | Very high | 96.1 | Very high | 157 Ų | 157 | 81.5 Ų | 81.5 | 68% | 0.683 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -92.5 | -29.7 | -177 | -66.5 | -177.3 | 179.4 | -173 | 0 | 113.6 | A115 L116 K117 | A115-K119 PolarHBondContact O-N 3.09Å; L116-K119 PolarHBondContact O-N 3.11Å; K117-K119 PolarHBondContact O-N 3.15Å |
| 120 | T | 97.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 83.5 Ų | 83.5 | 10% | 0.098 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -113.8 | -19.1 | -164.9 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | L116 K117 A137 Y140 | L116-T120 HydrophobicContact CD1-CG2 3.73Å; L116-T120 HydrophobicContact CG-CG2 4.4Å; L116-T120 PolarHBondContact O-N 3.3Å; L116-T120 VanDerWaalsContact O-N 3.07Å; L116-T120 PolarHBondContact O-OG1 3.3Å; K117-T120 PolarHBondContact O-N 3.19Å; T120-A137 HydrophobicContact CG2-CB 3.78Å; T120-Y140 HydrophobicContact CG2-CD1 4Å; T120-Y140 HydrophobicContact CG2-CG 4.38Å |
| 121 | V | 96.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 83.7 Ų | 83.7 | 8% | 0.079 | 43% | 0.432 | C | S | . | . | trans | -105.7 | 131.1 | -179.3 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | K117 N123 L128 | K117-V121 HydrophobicContact CG-CB 4.06Å; K117-V121 HydrophobicContact CG-CG2 3.87Å; K117-V121 WeakPolarHBondContact O-CB 3.36Å; K117-V121 PolarHBondContact O-N 2.85Å; V121-N123 VanDerWaalsContact C-N 3.31Å; V121-N123 PolarHBondContact O-N 3Å; V121-L128 HydrophobicContact CB-CD1 4.3Å; V121-L128 HydrophobicContact CG1-CD1 3.49Å; V121-L128 VanDerWaalsContact CG1-CD1 3.49Å; V121-L128 HydrophobicContact CG2-CD1 3.87Å | ||
| 122 | P | 91.8 | Very high | 96.1 | Very high | 133 Ų | 133 | 82.9 Ų | 82.9 | 86% | 0.864 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -57.8 | -38.8 | 179.6 | -26.5 | 34.3 | 0 | 0 | 0 | 114.2 | ||
| 123 | N | 93.1 | Very high | 96.1 | Very high | 80 Ų | 80 | 80.3 Ų | 80.3 | 43% | 0.428 | 41% | 0.406 | S | S | . | . | trans | -116.2 | 95.2 | 175.6 | -171.7 | -15.2 | 0 | 0 | 0 | 111.2 | V121 N125 Q126 | V121-N123 VanDerWaalsContact C-N 3.31Å; V121-N123 PolarHBondContact O-N 3Å; N123-N125 PolarHBondContact O-N 2.96Å; N123-N125 PolarHBondContact OD1-N 3.36Å; N123-N125 VanDerWaalsContact OD1-N 3.11Å; N123-Q126 PolarHBondContact O-N 3.02Å | ||
| 124 | P | 91 | Very high | 96.1 | Very high | 41 Ų | 41 | 82.3 Ų | 82.3 | 27% | 0.266 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -11.2 | -177.8 | 31 | -36.5 | 0 | 0 | 0 | 114.1 | K117 K118 Q126 | K117-P124 WeakPolarHBondContact CE-O 3.31Å; K117-P124 PolarHBondContact NZ-O 3.15Å; K118-P124 HydrophobicContact CB-CB 4.49Å; K118-P124 HydrophobicContact CG-CB 4.02Å; P124-Q126 VanDerWaalsContact C-N 3.31Å |
| 125 | N | 91.7 | Very high | 96.1 | Very high | 150 Ų | 150 | 85.8 Ų | 85.8 | 80% | 0.802 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17.4 | 176.9 | -63.2 | -40.6 | 0 | 0 | 0 | 112 | N123 | N123-N125 PolarHBondContact O-N 2.96Å; N123-N125 PolarHBondContact OD1-N 3.36Å; N123-N125 VanDerWaalsContact OD1-N 3.11Å |
| 126 | Q | 93.1 | Very high | 96.1 | Very high | 105 Ų | 105 | 85.2 Ų | 85.2 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -66 | 137.2 | 173.5 | -171.2 | 173.5 | -11.8 | 0 | 0 | 110.6 | K117 N123 P124 L128 | K117-Q126 PolarHBondContact NZ-O 3.39Å; K117-Q126 VanDerWaalsContact NZ-O 3.12Å; N123-Q126 PolarHBondContact O-N 3.02Å; P124-Q126 VanDerWaalsContact C-N 3.31Å; Q126-L128 HydrophobicContact CB-CG 4.47Å; Q126-L128 HydrophobicContact CG-CD2 3.95Å; Q126-L128 HydrophobicContact CG-CG 4.2Å; Q126-L128 PolarHBondContact O-N 3.26Å |
| 127 | R | 94.6 | Very high | 96.1 | Very high | 238 Ų | 238 | 83 Ų | 83 | 90% | 0.898 | 41% | 0.408 | S | S | * | . | trans | -76.1 | 119.3 | 167.6 | -70.9 | -175 | 77.4 | 172 | 3.2 | 107.9 | ||||
| 128 | L | 94.3 | Very high | 96.2 | Very high | 36 Ų | 36 | 86.4 Ų | 86.4 | 19% | 0.188 | 43% | 0.426 | C | S | . | . | trans | -124.1 | 146.3 | 178 | -66.1 | 176.1 | 0 | 0 | 0 | 109.8 | V121 Q126 I133 | V121-L128 HydrophobicContact CB-CD1 4.3Å; V121-L128 HydrophobicContact CG1-CD1 3.49Å; V121-L128 VanDerWaalsContact CG1-CD1 3.49Å; V121-L128 HydrophobicContact CG2-CD1 3.87Å; Q126-L128 HydrophobicContact CB-CG 4.47Å; Q126-L128 HydrophobicContact CG-CD2 3.95Å; Q126-L128 HydrophobicContact CG-CG 4.2Å; Q126-L128 PolarHBondContact O-N 3.26Å; L128-I133 HydrophobicContact CB-CD1 4.43Å; L128-I133 HydrophobicContact CB-CG1 4Å | ||
| 129 | P | 97.5 | Very high | 96.2 | Very high | 62 Ų | 62 | 83.2 Ų | 83.2 | 40% | 0.403 | 42% | 0.416 | S | S | . | . | trans | -67.2 | 150.5 | 171.5 | 30.2 | -34.1 | 0 | 0 | 0 | 110.5 | V131 E132 I133 | P129-V131 HydrophobicContact CB-CG1 4.33Å; P129-V131 HydrophobicContact CG-CG1 4.38Å; P129-V131 PolarHBondContact O-N 3.01Å; P129-V131 VanDerWaalsContact O-N 3.15Å; P129-E132 VanDerWaalsContact CD-OE2 3.3Å; P129-E132 WeakPolarHBondContact CD-OE2 3.3Å; P129-E132 HydrophobicContact CG-CB 3.86Å; P129-E132 HydrophobicContact CG-CG 3.6Å; P129-E132 WeakPolarHBondContact CG-OE1 3.17Å; P129-E132 PolarHBondContact O-N 3.37Å; P129-I133 PolarHBondContact O-N 3Å | ||
| 130 | K | 97.8 | Very high | 96.3 | Very high | 95 Ų | 95 | 80.3 Ų | 80.3 | 41% | 0.413 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.9 | -37.7 | -178 | -70.7 | -173.5 | 175.1 | -173 | 0 | 112.6 | N110 F113 E132 I133 L134 | N110-K130 WeakPolarHBondContact OD1-CE 3.42Å; N110-K130 PolarHBondContact OD1-NZ 3.45Å; F113-K130 HydrophobicContact CD1-CB 4.27Å; F113-K130 HydrophobicContact CD1-CG 4.09Å; F113-K130 HydrophobicContact CD2-CD 4.36Å; F113-K130 HydrophobicContact CE1-CB 3.7Å; F113-K130 HydrophobicContact CE1-CD 4.35Å; F113-K130 HydrophobicContact CE1-CG 3.95Å; F113-K130 HydrophobicContact CE2-CD 4.14Å; F113-K130 HydrophobicContact CG-CG 4.47Å; F113-K130 HydrophobicContact CZ-CB 4.01Å; F113-K130 HydrophobicContact CZ-CD 4.13Å; F113-K130 HydrophobicContact CZ-CG 4.23Å; K130-E132 VanDerWaalsContact C-N 3.33Å; K130-E132 PolarHBondContact O-N 2.88Å; K130-I133 PolarHBondContact O-N 3.4Å; K130-L134 WeakPolarHBondContact O-CG 3.04Å; K130-L134 PolarHBondContact O-N 3.36Å; K130-L134 VanDerWaalsContact O-N 3.15Å |
| 131 | V | 98.3 | Very high | 96.3 | Very high | 70 Ų | 70 | 83.8 Ų | 83.8 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | 179.4 | 70 | 0 | 0 | 0 | 0 | 112.6 | P129 L134 R135 | P129-V131 HydrophobicContact CB-CG1 4.33Å; P129-V131 HydrophobicContact CG-CG1 4.38Å; P129-V131 PolarHBondContact O-N 3.01Å; P129-V131 VanDerWaalsContact O-N 3.15Å; V131-L134 PolarHBondContact O-N 3.06Å; V131-R135 WeakPolarHBondContact O-CG 3.45Å; V131-R135 PolarHBondContact O-N 2.96Å; V131-R135 VanDerWaalsContact O-N 3.09Å |
| 132 | E | 97.9 | Very high | 96.4 | Very high | 83 Ų | 83 | 87.8 Ų | 87.8 | 39% | 0.388 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -72.6 | -39.9 | 178.1 | -75.8 | 174.1 | -157.6 | 0 | 0 | 111.5 | P129 K130 L134 R135 S136 | P129-E132 VanDerWaalsContact CD-OE2 3.3Å; P129-E132 WeakPolarHBondContact CD-OE2 3.3Å; P129-E132 HydrophobicContact CG-CB 3.86Å; P129-E132 HydrophobicContact CG-CG 3.6Å; P129-E132 WeakPolarHBondContact CG-OE1 3.17Å; P129-E132 PolarHBondContact O-N 3.37Å; K130-E132 VanDerWaalsContact C-N 3.33Å; K130-E132 PolarHBondContact O-N 2.88Å; E132-L134 PolarHBondContact O-N 3.07Å; E132-R135 PolarHBondContact O-N 3.37Å; E132-R135 VanDerWaalsContact O-N 3.11Å; E132-S136 PolarHBondContact O-N 2.74Å; E132-S136 PolarHBondContact O-OG 3.21Å |
| 133 | I | 98 | Very high | 96.7 | Very high | 7 Ų | 7 | 86.4 Ų | 86.4 | 4% | 0.036 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -57.1 | -41.2 | 173.8 | -60.5 | 168.1 | 0 | 0 | 0 | 110.5 | F113 L116 K117 L128 P129 K130 S136 A137 | F113-I133 HydrophobicContact CD1-CB 4.35Å; F113-I133 HydrophobicContact CD1-CD1 4.21Å; F113-I133 HydrophobicContact CD1-CG2 4.17Å; L116-I133 HydrophobicContact CB-CG2 4.43Å; L116-I133 HydrophobicContact CD2-CG2 4.04Å; L116-I133 HydrophobicContact CG-CG2 4.08Å; K117-I133 HydrophobicContact CB-CD1 4.15Å; K117-I133 HydrophobicContact CB-CG1 4.35Å; K117-I133 HydrophobicContact CB-CG2 4.08Å; K117-I133 HydrophobicContact CD-CD1 3.93Å; K117-I133 HydrophobicContact CD-CG1 4.29Å; K117-I133 HydrophobicContact CG-CD1 4.2Å; K117-I133 HydrophobicContact CG-CG1 4.2Å; L128-I133 HydrophobicContact CB-CD1 4.43Å; L128-I133 HydrophobicContact CB-CG1 4Å; P129-I133 PolarHBondContact O-N 3Å; K130-I133 PolarHBondContact O-N 3.4Å; I133-S136 PolarHBondContact O-N 3.36Å; I133-A137 WeakPolarHBondContact O-CB 3.43Å; I133-A137 PolarHBondContact O-N 3.41Å |
| 134 | L | 98.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 86 Ų | 86 | 43% | 0.429 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.4 | -65.6 | 175 | 0 | 0 | 0 | 112.3 | F113 L116 K130 V131 E132 A137 I138 | F113-L134 HydrophobicContact CE1-CD1 4.47Å; F113-L134 HydrophobicContact CE1-CD2 3.92Å; F113-L134 HydrophobicContact CE1-CG 3.95Å; F113-L134 HydrophobicContact CZ-CD1 4.27Å; F113-L134 HydrophobicContact CZ-CD2 3.98Å; F113-L134 HydrophobicContact CZ-CG 4.15Å; L116-L134 HydrophobicContact CD2-CD2 4.22Å; K130-L134 WeakPolarHBondContact O-CG 3.04Å; K130-L134 PolarHBondContact O-N 3.36Å; K130-L134 VanDerWaalsContact O-N 3.15Å; V131-L134 PolarHBondContact O-N 3.06Å; E132-L134 PolarHBondContact O-N 3.07Å; L134-A137 WeakPolarHBondContact O-CB 3.41Å; L134-A137 PolarHBondContact O-N 2.69Å; L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 3.13Å; L134-I138 VanDerWaalsContact O-N 3.11Å |
| 135 | R | 98.4 | Very high | 97.3 | Very high | 152 Ų | 152 | 88.8 Ų | 88.8 | 57% | 0.574 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 175.9 | -70.1 | 179.7 | -170.8 | 130.4 | -1.9 | 111.9 | V131 E132 A137 I138 N139 | V131-R135 WeakPolarHBondContact O-CG 3.45Å; V131-R135 PolarHBondContact O-N 2.96Å; V131-R135 VanDerWaalsContact O-N 3.09Å; E132-R135 PolarHBondContact O-N 3.37Å; E132-R135 VanDerWaalsContact O-N 3.11Å; R135-A137 VanDerWaalsContact C-N 3.27Å; R135-A137 PolarHBondContact O-N 2.9Å; R135-I138 PolarHBondContact O-N 3.46Å; R135-N139 PolarHBondContact O-N 3.35Å; R135-N139 VanDerWaalsContact O-N 3.1Å |
| 136 | S | 98.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 86.7 Ų | 86.7 | 25% | 0.245 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.6 | -38.3 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | E132 I133 Y140 | E132-S136 PolarHBondContact O-N 2.74Å; E132-S136 PolarHBondContact O-OG 3.21Å; I133-S136 PolarHBondContact O-N 3.36Å; S136-Y140 VanDerWaalsContact O-CB 3.28Å; S136-Y140 WeakPolarHBondContact O-CB 3.28Å; S136-Y140 PolarHBondContact O-N 3.3Å |
| 137 | A | 98.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 86.2 Ų | 86.2 | 9% | 0.091 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L116 T120 I133 L134 R135 Y140 I141 | L116-A137 HydrophobicContact CD1-CB 3.85Å; L116-A137 HydrophobicContact CD2-CB 4.07Å; L116-A137 HydrophobicContact CG-CB 4.16Å; T120-A137 HydrophobicContact CG2-CB 3.78Å; I133-A137 WeakPolarHBondContact O-CB 3.43Å; I133-A137 PolarHBondContact O-N 3.41Å; L134-A137 WeakPolarHBondContact O-CB 3.41Å; L134-A137 PolarHBondContact O-N 2.69Å; R135-A137 VanDerWaalsContact C-N 3.27Å; R135-A137 PolarHBondContact O-N 2.9Å; A137-Y140 PolarHBondContact O-N 3.39Å; A137-I141 WeakPolarHBondContact O-CG1 3.3Å; A137-I141 PolarHBondContact O-N 3.43Å; A137-I141 VanDerWaalsContact O-N 3.13Å |
| 138 | I | 98.5 | Very high | 97.8 | Very high | 98 Ų | 98 | 78.8 Ų | 78.8 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.2 | -53.5 | 176.8 | -66.1 | 164 | 0 | 0 | 0 | 109.9 | L134 R135 Y140 I141 E142 | L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 3.13Å; L134-I138 VanDerWaalsContact O-N 3.11Å; R135-I138 PolarHBondContact O-N 3.46Å; I138-Y140 VanDerWaalsContact C-N 3.26Å; I138-Y140 PolarHBondContact O-N 3.12Å; I138-I141 PolarHBondContact O-N 3.11Å; I138-E142 WeakPolarHBondContact O-CG 3.43Å; I138-E142 PolarHBondContact O-N 3.3Å |
| 139 | N | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 82.9 Ų | 82.9 | 44% | 0.444 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.5 | -34.2 | -179.9 | 179 | 56.1 | 0 | 0 | 0 | 112.8 | R135 Q143 | R135-N139 PolarHBondContact O-N 3.35Å; R135-N139 VanDerWaalsContact O-N 3.1Å; N139-Q143 VanDerWaalsContact CG-NE2 3.29Å; N139-Q143 PolarHBondContact ND2-NE2 2.89Å; N139-Q143 WeakPolarHBondContact O-CG 3.36Å; N139-Q143 PolarHBondContact O-N 3.39Å; N139-Q143 PolarHBondContact O-NE2 3.18Å; N139-Q143 PolarHBondContact OD1-NE2 3.28Å |
| 140 | Y | 98.3 | Very high | 97.7 | Very high | 96 Ų | 96 | 84 Ų | 84 | 38% | 0.376 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 175.7 | -176.8 | -111 | 0 | 0 | 0 | 112.1 | T120 S136 A137 I138 L144 | T120-Y140 HydrophobicContact CG2-CD1 4Å; T120-Y140 HydrophobicContact CG2-CG 4.38Å; S136-Y140 VanDerWaalsContact O-CB 3.28Å; S136-Y140 WeakPolarHBondContact O-CB 3.28Å; S136-Y140 PolarHBondContact O-N 3.3Å; A137-Y140 PolarHBondContact O-N 3.39Å; I138-Y140 VanDerWaalsContact C-N 3.26Å; I138-Y140 PolarHBondContact O-N 3.12Å; Y140-L144 HydrophobicContact CD1-CD1 3.92Å; Y140-L144 HydrophobicContact CE1-CD1 3.44Å; Y140-L144 VanDerWaalsContact CE1-CD1 3.44Å; Y140-L144 HydrophobicContact CE1-CG 4.29Å; Y140-L144 HydrophobicContact CE2-CD1 4.37Å; Y140-L144 HydrophobicContact CE2-CG 4.4Å; Y140-L144 VanDerWaalsContact O-CG 3.31Å; Y140-L144 WeakPolarHBondContact O-CG 3.36Å; Y140-L144 PolarHBondContact O-N 3.29Å; Y140-L144 VanDerWaalsContact O-N 3.13Å |
| 141 | I | 98.4 | Very high | 97.6 | Very high | 90 Ų | 90 | 83.3 Ų | 83.3 | 46% | 0.462 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 175.8 | -66.8 | 165.4 | 0 | 0 | 0 | 110.3 | A137 I138 Q143 L144 Q145 | A137-I141 WeakPolarHBondContact O-CG1 3.3Å; A137-I141 PolarHBondContact O-N 3.43Å; A137-I141 VanDerWaalsContact O-N 3.13Å; I138-I141 PolarHBondContact O-N 3.11Å; I141-Q143 PolarHBondContact O-N 2.8Å; I141-L144 PolarHBondContact O-N 2.76Å; I141-Q145 HydrophobicContact CG2-CG 4.35Å; I141-Q145 WeakPolarHBondContact O-CG 3.36Å; I141-Q145 PolarHBondContact O-N 3.06Å |
| 142 | E | 98.4 | Very high | 97.2 | Very high | 96 Ų | 96 | 82.9 Ų | 82.9 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.1 | -47.1 | 178.4 | -69.7 | 169.9 | 162.8 | 0 | 0 | 111.4 | I138 L144 Q145 D146 | I138-E142 WeakPolarHBondContact O-CG 3.43Å; I138-E142 PolarHBondContact O-N 3.3Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-L144 PolarHBondContact O-N 3.43Å; E142-Q145 WeakPolarHBondContact O-CB 3.32Å; E142-Q145 PolarHBondContact O-N 2.81Å; E142-Q145 VanDerWaalsContact O-N 3.15Å; E142-D146 PolarHBondContact O-N 3.12Å |
| 143 | Q | 98 | Very high | 96.8 | Very high | 104 Ų | 104 | 84.1 Ų | 84.1 | 49% | 0.486 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 176.5 | -75.1 | 172.9 | 48.5 | 0 | 0 | 113.4 | N139 I141 Q145 L147 | N139-Q143 VanDerWaalsContact CG-NE2 3.29Å; N139-Q143 PolarHBondContact ND2-NE2 2.89Å; N139-Q143 WeakPolarHBondContact O-CG 3.36Å; N139-Q143 PolarHBondContact O-N 3.39Å; N139-Q143 PolarHBondContact O-NE2 3.18Å; N139-Q143 PolarHBondContact OD1-NE2 3.28Å; I141-Q143 PolarHBondContact O-N 2.8Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q143-L147 WeakPolarHBondContact O-CB 3.49Å; Q143-L147 PolarHBondContact O-N 3.13Å |
| 144 | L | 98.1 | Very high | 95.9 | Very high | 72 Ų | 72 | 87.8 Ų | 87.8 | 38% | 0.377 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.7 | -37.2 | 176.4 | -72 | 177.7 | 0 | 0 | 0 | 111.5 | Y140 I141 E142 L148 | Y140-L144 HydrophobicContact CD1-CD1 3.92Å; Y140-L144 HydrophobicContact CE1-CD1 3.44Å; Y140-L144 VanDerWaalsContact CE1-CD1 3.44Å; Y140-L144 HydrophobicContact CE1-CG 4.29Å; Y140-L144 HydrophobicContact CE2-CD1 4.37Å; Y140-L144 HydrophobicContact CE2-CG 4.4Å; Y140-L144 VanDerWaalsContact O-CG 3.31Å; Y140-L144 WeakPolarHBondContact O-CG 3.36Å; Y140-L144 PolarHBondContact O-N 3.29Å; Y140-L144 VanDerWaalsContact O-N 3.13Å; I141-L144 PolarHBondContact O-N 2.76Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-L144 PolarHBondContact O-N 3.43Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 2.92Å |
| 145 | Q | 98 | Very high | 94.9 | Very high | 100 Ų | 100 | 91.2 Ų | 91.2 | 47% | 0.467 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 174.7 | -72.5 | 171.1 | -22.2 | 0 | 0 | 110.9 | I141 E142 Q143 L147 L148 H149 | I141-Q145 HydrophobicContact CG2-CG 4.35Å; I141-Q145 WeakPolarHBondContact O-CG 3.36Å; I141-Q145 PolarHBondContact O-N 3.06Å; E142-Q145 WeakPolarHBondContact O-CB 3.32Å; E142-Q145 PolarHBondContact O-N 2.81Å; E142-Q145 VanDerWaalsContact O-N 3.15Å; Q143-Q145 VanDerWaalsContact C-N 3.34Å; Q145-L147 VanDerWaalsContact C-N 3.34Å; Q145-L147 PolarHBondContact O-N 3.42Å; Q145-L148 PolarHBondContact O-N 3.17Å; Q145-H149 PolarHBondContact O-CD2 3.4Å; Q145-H149 PolarHBondContact O-N 3.03Å |
| 146 | D | 97.1 | Very high | 93.6 | Very high | 105 Ų | 105 | 90.7 Ų | 90.7 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59 | -45.1 | 177.1 | -71.6 | -17.2 | 0 | 0 | 0 | 111.6 | E142 L148 H149 T150 | E142-D146 PolarHBondContact O-N 3.12Å; D146-L148 PolarHBondContact O-N 2.89Å; D146-H149 PolarHBondContact O-N 3.31Å; D146-T150 WeakPolarHBondContact O-CG2 3.43Å; D146-T150 PolarHBondContact O-N 3.43Å; D146-T150 PolarHBondContact O-OG1 3.42Å |
| 147 | L | 97.5 | Very high | 91.7 | Very high | 95 Ų | 95 | 93.7 Ų | 93.7 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 176.6 | 179.8 | 62.9 | 0 | 0 | 0 | 111.5 | Q143 Q145 H149 T150 L151 | Q143-L147 WeakPolarHBondContact O-CB 3.49Å; Q143-L147 PolarHBondContact O-N 3.13Å; Q145-L147 VanDerWaalsContact C-N 3.34Å; Q145-L147 PolarHBondContact O-N 3.42Å; L147-H149 VanDerWaalsContact C-N 3.34Å; L147-H149 PolarHBondContact O-N 2.98Å; L147-T150 PolarHBondContact O-N 2.95Å; L147-T150 PolarHBondContact O-OG1 3.46Å; L147-L151 HydrophobicContact CD1-CD1 4.43Å; L147-L151 HydrophobicContact CG-CD1 4.26Å; L147-L151 WeakPolarHBondContact O-CG 2.94Å; L147-L151 PolarHBondContact O-N 2.93Å; L147-L151 VanDerWaalsContact O-N 3.08Å |
| 148 | L | 96.8 | Very high | 89.7 | Confident | 83 Ų | 83 | 98.9 Ų | 98.9 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 178.3 | -70.6 | 173.3 | 0 | 0 | 0 | 112.1 | L144 Q145 D146 L151 D152 | L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 2.92Å; Q145-L148 PolarHBondContact O-N 3.17Å; D146-L148 PolarHBondContact O-N 2.89Å; L148-L151 PolarHBondContact O-N 3.32Å; L148-D152 PolarHBondContact O-N 3.4Å |
| 149 | H | 94.9 | Very high | 87.4 | Confident | 121 Ų | 121 | 102.6 Ų | 102.6 | 56% | 0.56 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 175 | -78.2 | -60.4 | 0 | 0 | 0 | 112.1 | Q145 D146 L147 L151 D152 E153 | Q145-H149 PolarHBondContact O-CD2 3.4Å; Q145-H149 PolarHBondContact O-N 3.03Å; D146-H149 PolarHBondContact O-N 3.31Å; L147-H149 VanDerWaalsContact C-N 3.34Å; L147-H149 PolarHBondContact O-N 2.98Å; H149-L151 VanDerWaalsContact C-N 3.31Å; H149-L151 PolarHBondContact O-N 3.34Å; H149-D152 PolarHBondContact O-N 2.88Å; H149-E153 WeakPolarHBondContact O-CG 3.49Å; H149-E153 PolarHBondContact O-N 3.37Å |
| 150 | T | 94.8 | Very high | 85.1 | Confident | 85 Ų | 85 | 106.2 Ų | 106.2 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 177.7 | 59.4 | 0 | 0 | 0 | 0 | 113 | D146 L147 Q154 | D146-T150 WeakPolarHBondContact O-CG2 3.43Å; D146-T150 PolarHBondContact O-N 3.43Å; D146-T150 PolarHBondContact O-OG1 3.42Å; L147-T150 PolarHBondContact O-N 2.95Å; L147-T150 PolarHBondContact O-OG1 3.46Å; T150-Q154 WeakPolarHBondContact O-CB 3.41Å; T150-Q154 PolarHBondContact O-N 3.34Å; T150-Q154 VanDerWaalsContact O-N 3.08Å |
| 151 | L | 93.7 | Very high | 82.5 | Confident | 82 Ų | 82 | 103.8 Ų | 103.8 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.9 | -43.3 | 177 | -67.8 | 172.8 | 0 | 0 | 0 | 111.9 | L147 L148 H149 E153 Q154 E155 | L147-L151 HydrophobicContact CD1-CD1 4.43Å; L147-L151 HydrophobicContact CG-CD1 4.26Å; L147-L151 WeakPolarHBondContact O-CG 2.94Å; L147-L151 PolarHBondContact O-N 2.93Å; L147-L151 VanDerWaalsContact O-N 3.08Å; L148-L151 PolarHBondContact O-N 3.32Å; H149-L151 VanDerWaalsContact C-N 3.31Å; H149-L151 PolarHBondContact O-N 3.34Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 3.47Å; L151-Q154 PolarHBondContact O-N 3.25Å; L151-E155 PolarHBondContact O-N 2.94Å |
| 152 | D | 91.6 | Very high | 80.2 | Confident | 60 Ų | 60 | 105.3 Ų | 105.3 | 32% | 0.321 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.2 | -35.8 | 176.9 | -82.9 | -2.8 | 0 | 0 | 0 | 111.8 | L148 H149 K156 K180 | L148-D152 PolarHBondContact O-N 3.4Å; H149-D152 PolarHBondContact O-N 2.88Å; D152-K156 WeakPolarHBondContact O-CG 3.46Å; D152-K156 PolarHBondContact O-N 3.09Å; D152-K180 IonicContact OD1-NZ 3.82Å |
| 153 | E | 88 | Confident | 77.8 | Confident | 109 Ų | 109 | 106.4 Ų | 106.4 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.1 | -35.8 | 175.1 | -68.5 | -58.5 | 114.7 | 0 | 0 | 112.3 | H149 L151 E155 K156 T157 | H149-E153 WeakPolarHBondContact O-CG 3.49Å; H149-E153 PolarHBondContact O-N 3.37Å; L151-E153 VanDerWaalsContact C-N 3.32Å; L151-E153 PolarHBondContact O-N 3.47Å; E153-E155 VanDerWaalsContact C-N 3.34Å; E153-K156 PolarHBondContact O-N 3.24Å; E153-K156 IonicContact OE1-NZ 3.95Å; E153-K156 PolarHBondContact OE1-NZ 2.95Å; E153-T157 PolarHBondContact O-N 3.13Å |
| 154 | Q | 80.4 | Confident | 75.5 | Confident | 84 Ų | 84 | 108.8 Ų | 108.8 | 39% | 0.393 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66 | -35.1 | 175.1 | -172.8 | -178.6 | 87.7 | 0 | 0 | 112.3 | T150 L151 T157 Y163 | T150-Q154 WeakPolarHBondContact O-CB 3.41Å; T150-Q154 PolarHBondContact O-N 3.34Å; T150-Q154 VanDerWaalsContact O-N 3.08Å; L151-Q154 PolarHBondContact O-N 3.25Å; Q154-T157 PolarHBondContact O-N 2.92Å; Q154-T157 PolarHBondContact O-OG1 3.27Å; Q154-Y163 WeakPolarHBondContact CG-OH 3.45Å; Q154-Y163 VanDerWaalsContact NE2-CZ 3.33Å; Q154-Y163 PolarHBondContact NE2-OH 3.13Å; Q154-Y163 PolarHBondContact OE1-OH 3.39Å |
| 155 | E | 77.2 | Confident | 73.2 | Confident | 155 Ų | 155 | 113.9 Ų | 113.9 | 72% | 0.724 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.9 | -32.3 | 176.6 | -166.1 | -177.3 | 167.5 | 0 | 0 | 112.4 | L151 E153 T157 | L151-E155 PolarHBondContact O-N 2.94Å; E153-E155 VanDerWaalsContact C-N 3.34Å; E155-T157 VanDerWaalsContact C-N 3.32Å; E155-T157 PolarHBondContact O-N 3.43Å |
| 156 | K | 71.9 | Confident | 70.5 | Confident | 141 Ų | 141 | 116.2 Ų | 116.2 | 61% | 0.613 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.3 | -12.9 | 179 | -69.4 | 170.6 | -163.1 | 163 | 0 | 114 | D152 E153 P158 | D152-K156 WeakPolarHBondContact O-CG 3.46Å; D152-K156 PolarHBondContact O-N 3.09Å; E153-K156 PolarHBondContact O-N 3.24Å; E153-K156 IonicContact OE1-NZ 3.95Å; E153-K156 PolarHBondContact OE1-NZ 2.95Å; K156-P158 WeakPolarHBondContact O-CD 3.45Å |
| 157 | T | 56.4 | Low | 68 | Low | 97 Ų | 97 | 116.7 Ų | 116.7 | 60% | 0.595 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -96.4 | 99.4 | 174.1 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | E153 Q154 E155 Q159 | E153-T157 PolarHBondContact O-N 3.13Å; Q154-T157 PolarHBondContact O-N 2.92Å; Q154-T157 PolarHBondContact O-OG1 3.27Å; E155-T157 VanDerWaalsContact C-N 3.32Å; E155-T157 PolarHBondContact O-N 3.43Å; T157-Q159 PolarHBondContact O-N 3.24Å; T157-Q159 VanDerWaalsContact O-N 3.08Å |
| 158 | P | 57.4 | Low | 65.3 | Low | 120 Ų | 120 | 121.3 Ų | 121.3 | 78% | 0.779 | 63% | 0.628 | S | S | * | * | trans | -80.2 | 94.5 | 171.1 | 32.6 | -30 | 0 | 0 | 0 | 108 | K156 | K156-P158 WeakPolarHBondContact O-CD 3.45Š| ||
| 159 | Q | 51.1 | Low | 62.5 | Low | 176 Ų | 176 | 125.5 Ų | 125.5 | 82% | 0.822 | 65% | 0.646 | S | S | * | * | 164.7 | 131 | 129.2 | -92.2 | -162.6 | 23.4 | 0 | 0 | 114.2 | T157 | T157-Q159 PolarHBondContact O-N 3.24Å; T157-Q159 VanDerWaalsContact O-N 3.08Å | |||
| 160 | N | 48.6 | Very low | 59.9 | Low | 159 Ų | 159 | 128.7 Ų | 128.7 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | trans | 73.9 | 93.6 | 136.7 | -149.1 | 19.5 | 0 | 0 | 0 | 118.1 | ||||
| 161 | G | 43.8 | Very low | 57.4 | Low | 46 Ų | 46 | 133.4 Ų | 133.4 | 47% | 0.474 | 68% | 0.676 | S | S | . | * | trans | 173.3 | 98 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y163 | G161-Y163 WeakPolarHBondContact O-CD1 3.38Å; G161-Y163 WeakPolarHBondContact O-CE1 3.33Å; G161-Y163 PolarHBondContact O-N 2.99Å | ||
| 162 | S | 51.5 | Low | 54.7 | Low | 122 Ų | 122 | 134 Ų | 134 | 85% | 0.853 | 69% | 0.694 | S | S | * | * | trans | -55.7 | 106.1 | 166.9 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 163 | Y | 47.3 | Very low | 52.2 | Low | 119 Ų | 119 | 135.9 Ų | 135.9 | 47% | 0.467 | 71% | 0.711 | S | S | . | * | trans | -117.1 | 107.3 | 160.5 | 37 | -96.4 | 0 | 0 | 0 | 108.8 | Q154 G161 Y165 | Q154-Y163 WeakPolarHBondContact CG-OH 3.45Å; Q154-Y163 VanDerWaalsContact NE2-CZ 3.33Å; Q154-Y163 PolarHBondContact NE2-OH 3.13Å; Q154-Y163 PolarHBondContact OE1-OH 3.39Å; G161-Y163 WeakPolarHBondContact O-CD1 3.38Å; G161-Y163 WeakPolarHBondContact O-CE1 3.33Å; G161-Y163 PolarHBondContact O-N 2.99Å; Y163-Y165 AromaticContact CD2-CD2 3.64Å; Y163-Y165 HydrophobicContact CD2-CD2 3.64Å; Y163-Y165 AromaticContact CD2-CE2 3.16Å; Y163-Y165 HydrophobicContact CD2-CE2 3.16Å; Y163-Y165 HydrophobicContact CE2-CD2 4.34Å; Y163-Y165 AromaticContact CE2-CE2 3.8Å; Y163-Y165 HydrophobicContact CE2-CE2 3.8Å; Y163-Y165 AromaticContact CG-CE2 3.96Å; Y163-Y165 HydrophobicContact CG-CE2 3.96Å; Y163-Y165 PolarHBondContact O-N 3.22Å | ||
| 164 | N | 50.2 | Low | 49.9 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | trans | -67.1 | 104.6 | 169.9 | -113.3 | -52.5 | 0 | 0 | 0 | 108.8 | ||||
| 165 | Y | 48.5 | Very low | 48.1 | Very low | 178 Ų | 178 | 141 Ų | 141 | 70% | 0.698 | 74% | 0.738 | S | S | * | * | trans | -94.7 | 105.4 | 160 | -68 | -72.3 | 0 | 0 | 0 | 108.2 | Y163 V167 | Y163-Y165 AromaticContact CD2-CD2 3.64Å; Y163-Y165 HydrophobicContact CD2-CD2 3.64Å; Y163-Y165 AromaticContact CD2-CE2 3.16Å; Y163-Y165 HydrophobicContact CD2-CE2 3.16Å; Y163-Y165 HydrophobicContact CE2-CD2 4.34Å; Y163-Y165 AromaticContact CE2-CE2 3.8Å; Y163-Y165 HydrophobicContact CE2-CE2 3.8Å; Y163-Y165 AromaticContact CG-CE2 3.96Å; Y163-Y165 HydrophobicContact CG-CE2 3.96Å; Y163-Y165 PolarHBondContact O-N 3.22Å; Y165-V167 VanDerWaalsContact C-N 3.32Å; Y165-V167 PolarHBondContact O-N 3Å | ||
| 166 | N | 42.7 | Very low | 46.3 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -72.6 | 87.5 | 172.9 | -174.4 | -15.1 | 0 | 0 | 0 | 109.1 | ||||
| 167 | V | 43.3 | Very low | 44.8 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | trans | -85.5 | 109 | 162.7 | 174.6 | 0 | 0 | 0 | 0 | 106.6 | Y165 E169 | Y165-V167 VanDerWaalsContact C-N 3.32Å; Y165-V167 PolarHBondContact O-N 3Å; V167-E169 PolarHBondContact O-N 2.9Å | ||
| 168 | K | 41.1 | Very low | 44 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | trans | -61.3 | 103.2 | 172.1 | -133.4 | 175.1 | -176.1 | 178.3 | 0 | 108.1 | H170 | K168-H170 PolarHBondContact O-N 3.41Š| ||
| 169 | E | 38.2 | Very low | 43.4 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 80% | 0.799 | 74% | 0.739 | S | S | * | * | trans | -63.6 | 122 | -178.6 | -63.6 | -155.9 | 150.9 | 0 | 0 | 111.6 | V167 | V167-E169 PolarHBondContact O-N 2.9Š| ||
| 170 | H | 40.5 | Very low | 43.2 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 87% | 0.87 | 73% | 0.73 | S | S | * | * | trans | -103.9 | 105 | 149.3 | -85.5 | -85 | 0 | 0 | 0 | 107.2 | K168 A172 | K168-H170 PolarHBondContact O-N 3.41Å; H170-A172 PolarHBondContact O-N 3.36Å | ||
| 171 | H | 42.4 | Very low | 42.9 | Very low | 184 Ų | 184 | 146 Ų | 146 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | trans | -17.8 | 116.2 | 165 | -103.8 | -101.4 | 0 | 0 | 0 | 115.4 | ||||
| 172 | A | 37.5 | Very low | 42.6 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 79% | 0.793 | 73% | 0.729 | S | S | * | * | trans | -158 | 100.4 | 149 | 0 | 0 | 0 | 0 | 0 | 111.1 | H170 | H170-A172 PolarHBondContact O-N 3.36Š| ||
| 173 | S | 38.2 | Very low | 42.2 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | trans | 16.6 | 105.1 | 150.9 | -164.3 | 0 | 0 | 0 | 0 | 116.9 | K175 | S173-K175 PolarHBondContact O-N 2.95Š| ||
| 174 | N | 38.9 | Very low | 41.9 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | trans | -51 | 105 | 164.8 | -168.5 | 4 | 0 | 0 | 0 | 110.5 | ||||
| 175 | K | 44.3 | Very low | 41.4 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 62% | 0.617 | 72% | 0.721 | S | S | * | * | trans | -122 | 111.5 | 160.6 | -72.7 | -170.3 | -179.4 | -176.4 | 0 | 107 | S173 Y177 | S173-K175 PolarHBondContact O-N 2.95Å; K175-Y177 HydrophobicContact CB-CD2 4.4Å; K175-Y177 HydrophobicContact CB-CE2 3.82Å; K175-Y177 WeakPolarHBondContact O-CD2 3.48Å; K175-Y177 PolarHBondContact O-N 3.42Å | ||
| 176 | E | 38 | Very low | 41.1 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -56 | 97 | 172.5 | -174.2 | 179.9 | 175.3 | 0 | 0 | 110 | H178 | E176-H178 PolarHBondContact O-N 3.36Š| ||
| 177 | Y | 40.6 | Very low | 41.2 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 73% | 0.725 | 72% | 0.724 | S | S | * | * | trans | -87.4 | 100.1 | 173.2 | -72 | -77.5 | 0 | 0 | 0 | 109.2 | K175 W179 | K175-Y177 HydrophobicContact CB-CD2 4.4Å; K175-Y177 HydrophobicContact CB-CE2 3.82Å; K175-Y177 WeakPolarHBondContact O-CD2 3.48Å; K175-Y177 PolarHBondContact O-N 3.42Å; Y177-W179 PolarHBondContact O-N 2.99Å | ||
| 178 | H | 39.5 | Very low | 41.4 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 58% | 0.583 | 72% | 0.722 | S | S | * | * | trans | -65.9 | 66.7 | 171.7 | 178.3 | -79.2 | 0 | 0 | 0 | 111.4 | E176 K181 | E176-H178 PolarHBondContact O-N 3.36Å; H178-K181 VanDerWaalsContact CE1-CD 3.49Å; H178-K181 WeakPolarHBondContact CE1-CD 3.49Å; H178-K181 WeakPolarHBondContact NE2-CD 3.41Å; H178-K181 WeakPolarHBondContact NE2-CE 3.5Å; H178-K181 PolarHBondContact NE2-NZ 2.91Å | ||
| 179 | W | 46.2 | Very low | 41.5 | Very low | 151 Ų | 151 | 145.9 Ų | 145.9 | 57% | 0.572 | 72% | 0.719 | S | S | * | * | trans | -86.2 | -20.1 | 177 | 74.4 | -86.8 | 0 | 0 | 0 | 112.8 | Y177 K181 N182 | Y177-W179 PolarHBondContact O-N 2.99Å; W179-K181 PolarHBondContact O-N 3.24Å; W179-N182 PolarHBondContact O-N 3.33Å | ||
| 180 | K | 45 | Very low | 41.8 | Very low | 148 Ų | 148 | 142 Ų | 142 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -2.4 | -174.4 | -71.6 | -168.3 | 173.9 | -169.5 | 0 | 115.7 | D152 | D152-K180 IonicContact OD1-NZ 3.82Š|
| 181 | K | 42.8 | Very low | 41.9 | Very low | 162 Ų | 162 | 141.2 Ų | 141.2 | 70% | 0.704 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -3.1 | 180 | -65.4 | -163.1 | -170 | 151.2 | 0 | 116.8 | H178 W179 | H178-K181 VanDerWaalsContact CE1-CD 3.49Å; H178-K181 WeakPolarHBondContact CE1-CD 3.49Å; H178-K181 WeakPolarHBondContact NE2-CD 3.41Å; H178-K181 WeakPolarHBondContact NE2-CE 3.5Å; H178-K181 PolarHBondContact NE2-NZ 2.91Å; W179-K181 PolarHBondContact O-N 3.24Å |
| 182 | N | 38.1 | Very low | 42.2 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 60% | 0.604 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -107.3 | -1.5 | -172.4 | -155.4 | 47.9 | 0 | 0 | 0 | 115.6 | W179 | W179-N182 PolarHBondContact O-N 3.33Š|
| 183 | C | 42.1 | Very low | 42.5 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 54% | 0.541 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -82.7 | -16.3 | -178.9 | -64.6 | 0 | 0 | 0 | 0 | 114 | ||
| 184 | Q | 41.4 | Very low | 42.6 | Very low | 169 Ų | 169 | 144.3 Ų | 144.3 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -81.8 | -11.9 | -176.5 | -132.9 | 71.2 | 23 | 0 | 0 | 114.6 | ||
| 185 | N | 39.4 | Very low | 42.7 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 63% | 0.631 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -96.8 | 0.9 | -169.1 | -155.8 | 78.9 | 0 | 0 | 0 | 114.7 | ||
| 186 | W | 42.5 | Very low | 42.6 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -90.5 | -3.6 | 179.9 | -72.5 | 85.1 | 0 | 0 | 0 | 113.7 | ||
| 187 | Q | 46.1 | Very low | 42.6 | Very low | 160 Ų | 160 | 139 Ų | 139 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -87.1 | -0.9 | 179 | -100 | 75.8 | 28.6 | 0 | 0 | 115.2 | ||
| 188 | T | 45.6 | Very low | 42.5 | Very low | 109 Ų | 109 | 136 Ų | 136 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -137.1 | 74.8 | -173.6 | 43.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 189 | S | 43.9 | Very low | 42.6 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -174.2 | 66.7 | 152.9 | 40.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 190 | A | 44.7 | Very low | 42 | Very low | 90 Ų | 90 | 139 Ų | 139 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -131 | 45.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 191 | D | 43.8 | Very low | 42 | Very low | 170 Ų | 170 | 142.9 Ų | 142.9 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | trans | -98.8 | 76.8 | 169.6 | -73.1 | -38.6 | 0 | 0 | 0 | 109.5 | ||||
| 192 | H | 48.3 | Very low | 41.8 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -145.6 | 119.8 | 150.9 | 57.6 | -83.5 | 0 | 0 | 0 | 110.2 | ||||
| 193 | S | 43.8 | Very low | 42 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 95.8 | 67.3 | 167.8 | -45.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 194 | N | 40.3 | Very low | 41.8 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | -112.5 | 91.6 | 140.8 | -84.9 | -52.2 | 0 | 0 | 0 | 108 | ||||
| 195 | A | 40.6 | Very low | 42.2 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | trans | -82.8 | 123.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | M197 | A195-M197 PolarHBondContact O-N 3.04Š| ||
| 196 | P | 42.3 | Very low | 42.8 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -72.1 | 125.2 | 176.5 | 27.3 | -30 | 0 | 0 | 0 | 110 | T198 | P196-T198 PolarHBondContact O-N 3.07Å; P196-T198 VanDerWaalsContact O-N 3.1Å | ||
| 197 | M | 36.8 | Very low | 43.5 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -69 | 100.4 | 171.5 | -69.8 | -73.2 | 135.5 | 0 | 0 | 109.4 | A195 N199 | A195-M197 PolarHBondContact O-N 3.04Å; M197-N199 PolarHBondContact O-N 2.87Å | ||
| 198 | T | 39.5 | Very low | 43.8 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -81.9 | 109.2 | 165.1 | 62.7 | 0 | 0 | 0 | 0 | 108.4 | P196 Q200 | P196-T198 PolarHBondContact O-N 3.07Å; P196-T198 VanDerWaalsContact O-N 3.1Å; T198-Q200 PolarHBondContact O-N 3.45Å; T198-Q200 VanDerWaalsContact O-N 3.1Å | ||
| 199 | N | 41.2 | Very low | 44.1 | Very low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -64.9 | 104.2 | 164.3 | -90.1 | -32.9 | 0 | 0 | 0 | 108.8 | M197 | M197-N199 PolarHBondContact O-N 2.87Š| ||
| 200 | Q | 34.9 | Very low | 44.9 | Very low | 176 Ų | 176 | 132.2 Ų | 132.2 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -125.7 | 112 | 156.8 | -73.1 | -91.2 | 48.6 | 0 | 0 | 106.7 | T198 | T198-Q200 PolarHBondContact O-N 3.45Å; T198-Q200 VanDerWaalsContact O-N 3.1Å | ||
| 201 | R | 44.3 | Very low | 46.2 | Very low | 228 Ų | 228 | 131.2 Ų | 131.2 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -72.7 | 124.5 | 171.8 | -173.4 | -178.3 | -140.2 | -117.6 | 2.9 | 106.9 | ||||
| 202 | E | 37.5 | Very low | 47.8 | Very low | 183 Ų | 183 | 126 Ų | 126 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | trans | 155.3 | 124.8 | 141.8 | -86 | 168.7 | -170.7 | 0 | 0 | 111.9 | ||||
| 203 | G | 43.3 | Very low | 49.3 | Very low | 77 Ų | 77 | 123.3 Ų | 123.3 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | trans | 75 | 127.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 204 | F | 38.6 | Very low | 50.8 | Low | 168 Ų | 168 | 124 Ų | 124 | 74% | 0.737 | 70% | 0.698 | S | S | * | * | trans | 96.4 | 104.9 | 150.2 | -140.9 | -104.1 | 0 | 0 | 0 | 118.2 | E206 | F204-E206 HydrophobicContact CD1-CB 3.99Å; F204-E206 HydrophobicContact CD1-CG 4.15Å; F204-E206 HydrophobicContact CE1-CB 3.83Å; F204-E206 HydrophobicContact CE1-CG 3.63Å; F204-E206 HydrophobicContact CZ-CG 4.34Å; F204-E206 PolarHBondContact O-N 3.31Å | ||
| 205 | T | 49.2 | Very low | 52.9 | Low | 144 Ų | 144 | 124.7 Ų | 124.7 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | -81.3 | 66.7 | 177.1 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 206 | E | 52.6 | Low | 55 | Low | 132 Ų | 132 | 125.7 Ų | 125.7 | 62% | 0.617 | 68% | 0.682 | S | S | * | * | trans | -151.5 | 88 | 169 | -68.5 | -167.2 | 176.4 | 0 | 0 | 110.3 | F204 | F204-E206 HydrophobicContact CD1-CB 3.99Å; F204-E206 HydrophobicContact CD1-CG 4.15Å; F204-E206 HydrophobicContact CE1-CB 3.83Å; F204-E206 HydrophobicContact CE1-CG 3.63Å; F204-E206 HydrophobicContact CZ-CG 4.34Å; F204-E206 PolarHBondContact O-N 3.31Å | ||
| 207 | S | 57.2 | Low | 56.8 | Low | 82 Ų | 82 | 123.2 Ų | 123.2 | 57% | 0.573 | 67% | 0.668 | S | S | * | * | trans | -144.6 | -35.6 | 179.4 | -166.1 | 0 | 0 | 0 | 0 | 115.4 | T211 | S207-T211 WeakPolarHBondContact O-CB 3.43Å; S207-T211 PolarHBondContact O-N 3.1Å; S207-T211 VanDerWaalsContact O-N 3.1Å; S207-T211 PolarHBondContact O-OG1 3.14Å | ||
| 208 | S | 52.3 | Low | 58.7 | Low | 109 Ų | 109 | 118.2 Ų | 118.2 | 76% | 0.762 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.1 | -38.9 | -177.5 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | S212 | S208-S212 PolarHBondContact O-N 3.46Å; S208-S212 PolarHBondContact O-OG 3.23Å |
| 209 | A | 52.2 | Low | 61 | Low | 65 Ų | 65 | 116.9 Ų | 116.9 | 54% | 0.537 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69.7 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | T211 S212 L213 | A209-T211 PolarHBondContact O-N 3.5Å; A209-S212 PolarHBondContact O-N 3.26Å; A209-S212 PolarHBondContact O-OG 3.17Å; A209-L213 WeakPolarHBondContact O-CG 3.08Å; A209-L213 PolarHBondContact O-N 3.18Å |
| 210 | S | 60 | Low | 63.2 | Low | 52 Ų | 52 | 112.9 Ų | 112.9 | 36% | 0.364 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.7 | -43.3 | 180 | -36.9 | 0 | 0 | 0 | 0 | 112.1 | S212 L213 L214 | S210-S212 PolarHBondContact O-N 3.27Å; S210-L213 PolarHBondContact O-N 3.31Å; S210-L214 VanDerWaalsContact O-CG 3.25Å; S210-L214 WeakPolarHBondContact O-CG 3.33Å; S210-L214 PolarHBondContact O-N 3.14Å |
| 211 | T | 71 | Confident | 65.2 | Low | 69 Ų | 69 | 109.7 Ų | 109.7 | 42% | 0.423 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.3 | -38.4 | 178.1 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | S207 A209 R215 | S207-T211 WeakPolarHBondContact O-CB 3.43Å; S207-T211 PolarHBondContact O-N 3.1Å; S207-T211 VanDerWaalsContact O-N 3.1Å; S207-T211 PolarHBondContact O-OG1 3.14Å; A209-T211 PolarHBondContact O-N 3.5Å; T211-R215 WeakPolarHBondContact O-CG 3.06Å; T211-R215 PolarHBondContact O-N 2.92Å |
| 212 | S | 77.7 | Confident | 66.7 | Low | 61 Ų | 61 | 102.4 Ų | 102.4 | 43% | 0.427 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.5 | -38.4 | 178.1 | 72.6 | 0 | 0 | 0 | 0 | 112.3 | S208 A209 S210 R215 L216 | S208-S212 PolarHBondContact O-N 3.46Å; S208-S212 PolarHBondContact O-OG 3.23Å; A209-S212 PolarHBondContact O-N 3.26Å; A209-S212 PolarHBondContact O-OG 3.17Å; S210-S212 PolarHBondContact O-N 3.27Å; S212-R215 PolarHBondContact O-N 3.44Å; S212-L216 WeakPolarHBondContact O-CG 3.44Å; S212-L216 PolarHBondContact O-N 3.22Å; S212-L216 VanDerWaalsContact O-N 3.13Å |
| 213 | L | 80.3 | Confident | 68.4 | Low | 105 Ų | 105 | 99.4 Ų | 99.4 | 55% | 0.55 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.2 | -39.3 | 177 | -72.2 | 171.3 | 0 | 0 | 0 | 111.7 | A209 S210 R215 L216 S217 | A209-L213 WeakPolarHBondContact O-CG 3.08Å; A209-L213 PolarHBondContact O-N 3.18Å; S210-L213 PolarHBondContact O-N 3.31Å; L213-R215 VanDerWaalsContact C-N 3.3Å; L213-R215 PolarHBondContact O-N 2.91Å; L213-L216 PolarHBondContact O-N 2.85Å; L213-L216 VanDerWaalsContact O-N 3.12Å; L213-S217 PolarHBondContact O-N 2.87Å; L213-S217 PolarHBondContact O-OG 3.2Å |
| 214 | L | 75.7 | Confident | 69.9 | Low | 124 Ų | 124 | 100 Ų | 100 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.1 | -37.7 | 174.9 | -72.9 | 170.1 | 0 | 0 | 0 | 112.5 | S210 S218 | S210-L214 VanDerWaalsContact O-CG 3.25Å; S210-L214 WeakPolarHBondContact O-CG 3.33Å; S210-L214 PolarHBondContact O-N 3.14Å; L214-S218 PolarHBondContact O-N 3.3Å; L214-S218 VanDerWaalsContact O-N 3.09Å |
| 215 | R | 82.9 | Confident | 71 | Confident | 185 Ų | 185 | 96.8 Ų | 96.8 | 70% | 0.698 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.7 | -36.7 | 174.3 | -64.1 | -149.1 | -167.1 | -172.9 | 4.4 | 112.4 | T211 S212 L213 I219 | T211-R215 WeakPolarHBondContact O-CG 3.06Å; T211-R215 PolarHBondContact O-N 2.92Å; S212-R215 PolarHBondContact O-N 3.44Å; L213-R215 VanDerWaalsContact C-N 3.3Å; L213-R215 PolarHBondContact O-N 2.91Å; R215-I219 WeakPolarHBondContact O-CD1 3.18Å; R215-I219 VanDerWaalsContact O-CG1 3.27Å; R215-I219 WeakPolarHBondContact O-CG1 3.49Å; R215-I219 PolarHBondContact O-N 3.04Å |
| 216 | L | 85.6 | Confident | 71.5 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.8 | -39.7 | 176.7 | -68 | 172.8 | 0 | 0 | 0 | 111.9 | S212 L213 I219 V220 | S212-L216 WeakPolarHBondContact O-CG 3.44Å; S212-L216 PolarHBondContact O-N 3.22Å; S212-L216 VanDerWaalsContact O-N 3.13Å; L213-L216 PolarHBondContact O-N 2.85Å; L213-L216 VanDerWaalsContact O-N 3.12Å; L216-I219 PolarHBondContact O-N 2.85Å; L216-V220 WeakPolarHBondContact O-CG2 3.3Å; L216-V220 PolarHBondContact O-N 2.77Å |
| 217 | S | 79.2 | Confident | 71.9 | Confident | 63 Ų | 63 | 100.4 Ų | 100.4 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.6 | -45.4 | 173.7 | -68.2 | 0 | 0 | 0 | 0 | 112 | L213 I219 V220 D221 | L213-S217 PolarHBondContact O-N 2.87Å; L213-S217 PolarHBondContact O-OG 3.2Å; S217-I219 PolarHBondContact O-N 3.08Å; S217-V220 PolarHBondContact O-N 2.89Å; S217-D221 PolarHBondContact O-N 3.04Å |
| 218 | S | 78.1 | Confident | 71.5 | Confident | 71 Ų | 71 | 105.5 Ų | 105.5 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -58.2 | -33.7 | 175.5 | 175 | 0 | 0 | 0 | 0 | 113.1 | L214 S222 | L214-S218 PolarHBondContact O-N 3.3Å; L214-S218 VanDerWaalsContact O-N 3.09Å; S218-S222 PolarHBondContact O-N 3.46Å; S218-S222 PolarHBondContact O-OG 2.75Å |
| 219 | I | 88.1 | Confident | 71.2 | Confident | 93 Ų | 93 | 106.2 Ų | 106.2 | 48% | 0.477 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.7 | -46.2 | 175.4 | -68.1 | 163.4 | 0 | 0 | 0 | 110 | R215 L216 S217 D221 S222 I223 | R215-I219 WeakPolarHBondContact O-CD1 3.18Å; R215-I219 VanDerWaalsContact O-CG1 3.27Å; R215-I219 WeakPolarHBondContact O-CG1 3.49Å; R215-I219 PolarHBondContact O-N 3.04Å; L216-I219 PolarHBondContact O-N 2.85Å; S217-I219 PolarHBondContact O-N 3.08Å; I219-D221 PolarHBondContact O-N 3.14Å; I219-S222 PolarHBondContact O-N 3.37Å; I219-I223 HydrophobicContact CG2-CD1 3.79Å; I219-I223 VanDerWaalsContact O-CD1 3.3Å; I219-I223 WeakPolarHBondContact O-CD1 3.47Å; I219-I223 WeakPolarHBondContact O-CG1 3.35Å; I219-I223 PolarHBondContact O-N 2.7Å |
| 220 | V | 86.5 | Confident | 70.6 | Confident | 82 Ų | 82 | 108.4 Ų | 108.4 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.9 | -40.3 | 179.6 | 174 | 0 | 0 | 0 | 0 | 112.6 | L216 S217 S222 I223 S224 | L216-V220 WeakPolarHBondContact O-CG2 3.3Å; L216-V220 PolarHBondContact O-N 2.77Å; S217-V220 PolarHBondContact O-N 2.89Å; V220-S222 VanDerWaalsContact C-N 3.32Å; V220-S222 PolarHBondContact O-N 2.86Å; V220-I223 PolarHBondContact O-N 3.43Å; V220-S224 PolarHBondContact O-N 2.96Å; V220-S224 PolarHBondContact O-OG 3.4Å |
| 221 | D | 77 | Confident | 69.5 | Low | 109 Ų | 109 | 112 Ų | 112 | 58% | 0.583 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66 | -36.5 | 177.8 | -68.1 | -28.6 | 0 | 0 | 0 | 111.6 | S217 I219 I223 S224 S225 | S217-D221 PolarHBondContact O-N 3.04Å; I219-D221 PolarHBondContact O-N 3.14Å; D221-I223 VanDerWaalsContact C-N 3.32Å; D221-I223 PolarHBondContact O-N 3Å; D221-S224 PolarHBondContact O-N 3.43Å; D221-S225 PolarHBondContact O-N 3.16Å |
| 222 | S | 76.8 | Confident | 68 | Low | 75 Ų | 75 | 115.6 Ų | 115.6 | 52% | 0.524 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.3 | -34.4 | 177.1 | -56.1 | 0 | 0 | 0 | 0 | 112 | S218 I219 V220 | S218-S222 PolarHBondContact O-N 3.46Å; S218-S222 PolarHBondContact O-OG 2.75Å; I219-S222 PolarHBondContact O-N 3.37Å; V220-S222 VanDerWaalsContact C-N 3.32Å; V220-S222 PolarHBondContact O-N 2.86Å |
| 223 | I | 72.9 | Confident | 66.5 | Low | 120 Ų | 120 | 121.6 Ų | 121.6 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -77.2 | -34.1 | 178.5 | -53.4 | 155.2 | 0 | 0 | 0 | 110.8 | I219 V220 D221 S225 | I219-I223 HydrophobicContact CG2-CD1 3.79Å; I219-I223 VanDerWaalsContact O-CD1 3.3Å; I219-I223 WeakPolarHBondContact O-CD1 3.47Å; I219-I223 WeakPolarHBondContact O-CG1 3.35Å; I219-I223 PolarHBondContact O-N 2.7Å; V220-I223 PolarHBondContact O-N 3.43Å; D221-I223 VanDerWaalsContact C-N 3.32Å; D221-I223 PolarHBondContact O-N 3Å; I223-S225 VanDerWaalsContact C-N 3.28Å; I223-S225 PolarHBondContact O-N 2.97Å |
| 224 | S | 74.8 | Confident | 64.8 | Low | 89 Ų | 89 | 125.9 Ų | 125.9 | 62% | 0.622 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74 | -18 | 178.8 | -59.2 | 0 | 0 | 0 | 0 | 113.3 | V220 D221 | V220-S224 PolarHBondContact O-N 2.96Å; V220-S224 PolarHBondContact O-OG 3.4Å; D221-S224 PolarHBondContact O-N 3.43Å |
| 225 | S | 60.7 | Low | 63.3 | Low | 101 Ų | 101 | 126.5 Ų | 126.5 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -6.4 | 179.9 | -169.5 | 0 | 0 | 0 | 0 | 114 | D221 I223 E227 | D221-S225 PolarHBondContact O-N 3.16Å; I223-S225 VanDerWaalsContact C-N 3.28Å; I223-S225 PolarHBondContact O-N 2.97Å; S225-E227 PolarHBondContact O-N 3.05Å |
| 226 | E | 60.7 | Low | 61.7 | Low | 172 Ų | 172 | 122.9 Ų | 122.9 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | -97.8 | 60.9 | 178.5 | -64.8 | -152.9 | 140.6 | 0 | 0 | 112.5 | ||||
| 227 | E | 59.5 | Low | 59.8 | Low | 180 Ų | 180 | 126.7 Ų | 126.7 | 84% | 0.841 | 70% | 0.704 | S | S | * | * | trans | -129.8 | 80.4 | 160.2 | -73.4 | -162.9 | 154.4 | 0 | 0 | 110.7 | S225 | S225-E227 PolarHBondContact O-N 3.05Š| ||
| 228 | K | 49 | Very low | 58 | Low | 189 Ų | 189 | 137.2 Ų | 137.2 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | trans | -169.8 | 106.1 | 146.9 | -116 | 176.6 | -178.8 | 178.8 | 0 | 112.1 | ||||
| 229 | P | 45.8 | Very low | 57 | Low | 124 Ų | 124 | 140.6 Ų | 140.6 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | trans | -83.6 | 110 | 158.2 | 30.7 | -24.7 | 0 | 0 | 0 | 108.5 | C231 | P229-C231 PolarHBondContact O-N 3.46Š| ||
| 230 | T | 39.5 | Very low | 55.3 | Low | 112 Ų | 112 | 143.1 Ų | 143.1 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | trans | -78.2 | 103.4 | 165.1 | 40.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 231 | C | 38 | Very low | 53.6 | Low | 126 Ų | 126 | 146.4 Ų | 146.4 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -71.3 | 117.7 | 158.3 | -78.9 | 0 | 0 | 0 | 0 | 108.4 | P229 | P229-C231 PolarHBondContact O-N 3.46Š| ||
| 232 | N | 38.6 | Very low | 52.2 | Low | 146 Ų | 146 | 148.6 Ų | 148.6 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -94.9 | 111.8 | 165.9 | -69.4 | -26 | 0 | 0 | 0 | 108.3 | ||||
| 233 | E | 46.6 | Very low | 50.7 | Low | 187 Ų | 187 | 153.3 Ų | 153.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -69.4 | 124.7 | 157.8 | -98.2 | 177 | 139.4 | 0 | 0 | 108.5 | ||||
| 234 | E | 44.5 | Very low | 49.2 | Very low | 195 Ų | 195 | 155.5 Ų | 155.5 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | trans | -114.5 | 108.7 | 156.4 | -78 | -148.6 | 147.7 | 0 | 0 | 109.1 | ||||
| 235 | V | 45.3 | Very low | 47.4 | Very low | 137 Ų | 137 | 160.2 Ų | 160.2 | 83% | 0.83 | 84% | 0.84 | S | S | * | * | trans | -110.6 | 117.7 | 156.2 | 165.1 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 236 | S | 49.5 | Very low | 46.4 | Very low | 108 Ų | 108 | 164.8 Ų | 164.8 | 76% | 0.755 | 85% | 0.85 | S | S | * | * | trans | -156.1 | 110.9 | 154.4 | -151.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 237 | E | 45.7 | Very low | 45.2 | Very low | 182 Ų | 182 | 164.2 Ų | 164.2 | 85% | 0.85 | 85% | 0.854 | S | S | * | * | trans | 23 | 121.3 | 148.7 | -77.3 | 169.3 | 112.3 | 0 | 0 | 120.7 | ||||
| 238 | K | 40.1 | Very low | 43.9 | Very low | 284 Ų | 284 | 162.7 Ų | 162.7 | 100% | 1.235 | 86% | 0.855 | S | S | * | * | -155.5 | 0 | 112.8 | -147.5 | 168.6 | -177.1 | 177.9 | 0 | 112.5 |
Retrieved 238 of 238 residues in 725.2 ms
(Link to these results)