| 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 | 39.8 | Very low | 37.2 | Very low | 249 Ų | 249 | 164.2 Ų | 164.2 | 100% | 1.227 | 86% | 0.864 | S | S | * | * | 0 | 151 | 0 | -77.6 | 175.1 | 166.3 | 0 | 0 | 108.2 | |||||
| 2 | S | 39.6 | Very low | 38.1 | Very low | 124 Ų | 124 | 161.8 Ų | 161.8 | 87% | 0.867 | 87% | 0.865 | S | S | * | * | trans | -85.3 | 158.9 | -163.3 | -52.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3 | E | 37.3 | Very low | 37.4 | Very low | 175 Ų | 175 | 165.9 Ų | 165.9 | 82% | 0.818 | 87% | 0.87 | S | S | * | * | trans | -71 | 154.1 | 179.1 | -53.3 | 159.1 | 105 | 0 | 0 | 112.7 | ||||
| 4 | V | 39.8 | Very low | 36.8 | Very low | 151 Ų | 151 | 159.1 Ų | 159.1 | 92% | 0.915 | 86% | 0.861 | S | S | * | * | trans | -132.2 | 108.8 | 157.7 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 5 | K | 41.5 | Very low | 36.5 | Very low | 180 Ų | 180 | 155.3 Ų | 155.3 | 78% | 0.783 | 86% | 0.859 | S | S | * | * | trans | -138.4 | 102.6 | -175.8 | -173.2 | 175.2 | 179.9 | 176.5 | 0 | 112.6 | ||||
| 6 | S | 43.1 | Very low | 37.1 | Very low | 107 Ų | 107 | 152.9 Ų | 152.9 | 75% | 0.748 | 85% | 0.853 | S | S | * | * | trans | 54.4 | 133.6 | 155.4 | 69.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 7 | R | 37.6 | Very low | 36.8 | Very low | 254 Ų | 254 | 149.8 Ų | 149.8 | 96% | 0.958 | 85% | 0.851 | S | S | * | * | -156.6 | 151.4 | 125.6 | -142.9 | 166.9 | -179 | 166.2 | -0 | 113.2 | |||||
| 8 | K | 36.5 | Very low | 36.4 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | trans | -142.9 | 129.6 | 177.9 | 174.5 | -179.3 | -179.3 | 176.5 | 0 | 108.5 | ||||
| 9 | K | 32.7 | Very low | 36.2 | Very low | 199 Ų | 199 | 148.9 Ų | 148.9 | 87% | 0.865 | 85% | 0.848 | S | S | * | * | trans | 161.2 | 161 | 163.5 | -97.8 | -171.2 | 176.6 | -173.3 | 0 | 110.5 | ||||
| 10 | S | 32.1 | Very low | 37 | Very low | 93 Ų | 93 | 147.6 Ų | 147.6 | 65% | 0.65 | 85% | 0.845 | S | S | * | * | cis | -179.4 | 109.1 | -39 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 11 | G | 29.7 | Very low | 36.7 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | 58.4 | -168 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 12 | P | 47.3 | Very low | 36.6 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | cis | -131.8 | 174.6 | -34.2 | 40.1 | -26.3 | 0 | 0 | 0 | 113.2 | ||||
| 13 | K | 29.8 | Very low | 36.2 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 94% | 0.939 | 83% | 0.834 | S | S | * | * | trans | -157.8 | 152.3 | 169 | -159.6 | 172.8 | -174.9 | 178.8 | 0 | 109.8 | ||||
| 14 | G | 28.9 | Very low | 36.1 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | -175.7 | 173.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 15 | A | 31.4 | Very low | 35.9 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | 65.8 | 165.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 16 | P | 46.7 | Very low | 35.2 | Very low | 118 Ų | 118 | 141 Ų | 141 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | cis | -135.6 | 178.1 | -1.8 | 42.4 | -26.1 | 0 | 0 | 0 | 117.4 | ||||
| 17 | A | 31.6 | Very low | 34.6 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | 68.3 | 153.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 18 | A | 30.8 | Very low | 34.5 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | cis | -169.1 | 152 | -20.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 19 | E | 31.5 | Very low | 34.5 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | 61.5 | 161.9 | 147.5 | -69.7 | -152.1 | 113.3 | 0 | 0 | 126.9 | ||||
| 20 | P | 52.1 | Low | 36 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | trans | -132.7 | 179.2 | -166.2 | 43.7 | -25.9 | 0 | 0 | 0 | 117.8 | ||||
| 21 | G | 31.1 | Very low | 36.2 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | 176.1 | 155.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 22 | K | 38 | Very low | 36.4 | Very low | 215 Ų | 215 | 135.4 Ų | 135.4 | 94% | 0.935 | 81% | 0.81 | S | S | * | * | trans | -104.4 | 172.1 | -174.9 | -56.9 | 171.6 | 176 | 176.7 | 0 | 114.7 | ||||
| 23 | R | 30.8 | Very low | 35.9 | Very low | 241 Ų | 241 | 139.3 Ų | 139.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | 146.9 | 171 | 123.1 | -158.7 | 162.4 | -168.2 | 165.5 | 2.9 | 117.3 | |||||
| 24 | S | 34.3 | Very low | 36.1 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 59% | 0.594 | 80% | 0.802 | S | S | * | * | trans | -123.3 | -166.3 | -166.3 | 32.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 25 | E | 37.3 | Very low | 36.5 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | cis | -179.6 | 159.8 | 39.8 | -136.9 | 133 | 60.9 | 0 | 0 | 114.2 | ||||
| 26 | G | 26.3 | Very low | 36.7 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | 96.2 | 169 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 27 | G | 30.1 | Very low | 36.2 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | cis | 156.2 | 137.3 | -20.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 28 | K | 36.3 | Very low | 36.7 | Very low | 206 Ų | 206 | 131.3 Ų | 131.3 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | 76.1 | 161.4 | 159 | -71.6 | -172.8 | 176.5 | -177.4 | 0 | 123.3 | ||||
| 29 | T | 35.6 | Very low | 37.3 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | -150.1 | -101.8 | -51.4 | 22.4 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 30 | P | 64.7 | Low | 37.5 | Very low | 105 Ų | 105 | 133.6 Ų | 133.6 | 68% | 0.682 | 83% | 0.831 | S | S | * | * | trans | -142.2 | -174.2 | -138.2 | 46.5 | -26.4 | 0 | 0 | 0 | 122.6 | ||||
| 31 | E | 36.1 | Very low | 36.5 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 80.5 | 157.5 | 161.2 | -59.9 | -172.6 | 114.7 | 0 | 0 | 121.6 | ||||
| 32 | D | 34.5 | Very low | 36.7 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 60% | 0.604 | 83% | 0.828 | S | S | * | * | cis | -150.6 | -175.7 | 11.1 | -161.6 | 12.7 | 0 | 0 | 0 | 115.9 | ||||
| 33 | R | 35.6 | Very low | 37.3 | Very low | 218 Ų | 218 | 130.2 Ų | 130.2 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | trans | -35.7 | 175.8 | 177.9 | -69.3 | 153.1 | -177.5 | 127.3 | -8 | 122.9 | ||||
| 34 | G | 35 | Very low | 37.7 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | cis | 153.5 | 148.6 | -10 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 35 | G | 36.1 | Very low | 38.5 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 94% | 0.938 | 83% | 0.831 | S | S | * | * | trans | 103.1 | 162 | 164.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 36 | G | 36.8 | Very low | 38.7 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | cis | 162.1 | 111.1 | -21.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 37 | G | 36.6 | Very low | 39.9 | Very low | 89 Ų | 89 | 131.9 Ų | 131.9 | 92% | 0.918 | 82% | 0.822 | S | S | * | * | trans | 88.7 | 164.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 38 | G | 41.4 | Very low | 40.9 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 92% | 0.918 | 82% | 0.823 | S | S | * | * | cis | 151.9 | 121.4 | -24 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 39 | G | 42.6 | Very low | 41.5 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | 162.7 | 134.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 40 | W | 35.6 | Very low | 42.4 | Very low | 260 Ų | 260 | 132.2 Ų | 132.2 | 99% | 0.985 | 82% | 0.819 | S | S | * | * | trans | 32 | 139.2 | 161 | -58.5 | 83.5 | 0 | 0 | 0 | 121.8 | ||||
| 41 | A | 32.5 | Very low | 41.8 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | cis | -158.5 | -177.5 | 5.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 42 | D | 34.9 | Very low | 42.6 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | 74.7 | 141.3 | 173.6 | -146.8 | 53.6 | 0 | 0 | 0 | 118.2 | ||||
| 43 | P | 50.5 | Low | 43.8 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | -113.2 | 137.9 | -164.6 | 38.8 | -28.5 | 0 | 0 | 0 | 116 | ||||
| 44 | R | 39.5 | Very low | 45 | Very low | 249 Ų | 249 | 120.7 Ų | 120.7 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | -152.6 | 91.5 | 147.7 | -112 | 163.8 | -160.6 | -148.4 | 2.6 | 113 | ||||
| 45 | T | 51 | Low | 46.1 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | 22.1 | 112 | 144.2 | -46.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 46 | G | 42 | Very low | 47.2 | Very low | 67 Ų | 67 | 122.9 Ų | 122.9 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -177.1 | -66.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 47 | L | 50.9 | Low | 48.4 | Very low | 159 Ų | 159 | 120.9 Ų | 120.9 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -117.2 | 11.7 | -151.9 | -140.2 | 67.8 | 0 | 0 | 0 | 117 | L49 | L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 3.25Å |
| 48 | S | 50.8 | Low | 49.5 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 4.9 | -176.9 | -48 | 0 | 0 | 0 | 0 | 115.6 | ||
| 49 | L | 49.8 | Very low | 50.6 | Low | 156 Ų | 156 | 121.6 Ų | 121.6 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -20.9 | -174.3 | -74.3 | 169.7 | 0 | 0 | 0 | 114.8 | L47 S51 | L47-L49 VanDerWaalsContact C-N 3.28Å; L47-L49 PolarHBondContact O-N 3.25Å; L49-S51 PolarHBondContact O-N 3.34Å |
| 50 | L | 52.5 | Low | 51.3 | Low | 147 Ų | 147 | 127.6 Ų | 127.6 | 77% | 0.77 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -72.7 | -28.1 | -174.5 | -158 | 74.1 | 0 | 0 | 0 | 113.1 | ||
| 51 | S | 52.7 | Low | 52.8 | Low | 103 Ų | 103 | 121 Ų | 121 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -80 | -16.9 | -171.5 | -168.6 | 0 | 0 | 0 | 0 | 115.1 | L49 T54 | L49-S51 PolarHBondContact O-N 3.34Å; S51-T54 PolarHBondContact O-OG1 3.27Å |
| 52 | L | 53.9 | Low | 54.4 | Low | 123 Ų | 123 | 121.4 Ų | 121.4 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -93.4 | -33.8 | -174.5 | -159.9 | 71.5 | 0 | 0 | 0 | 112.6 | T54 C55 | L52-T54 PolarHBondContact O-N 2.99Å; L52-C55 PolarHBondContact O-N 3.26Å |
| 53 | G | 59.2 | Low | 55.6 | Low | 52 Ų | 52 | 121.8 Ų | 121.8 | 54% | 0.536 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -66.6 | -33.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | G57 | G53-G57 PolarHBondContact O-N 2.97Å |
| 54 | T | 61.3 | Low | 56.1 | Low | 97 Ų | 97 | 121.4 Ų | 121.4 | 60% | 0.595 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -67.9 | -33.9 | 179.4 | 48 | 0 | 0 | 0 | 0 | 113 | S51 L52 | S51-T54 PolarHBondContact O-OG1 3.27Å; L52-T54 PolarHBondContact O-N 2.99Å |
| 55 | C | 57.7 | Low | 57.2 | Low | 92 Ų | 92 | 114.9 Ų | 114.9 | 62% | 0.622 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.4 | -38 | -178.2 | -160 | 0 | 0 | 0 | 0 | 112.2 | L52 | L52-C55 PolarHBondContact O-N 3.26Å |
| 56 | L | 60 | Low | 57.7 | Low | 124 Ų | 124 | 110.8 Ų | 110.8 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71 | -35.6 | 177.7 | -76.7 | 164.5 | 0 | 0 | 0 | 113.2 | L58 A59 | L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 PolarHBondContact O-N 3.46Å; L56-A59 PolarHBondContact O-N 3.38Å |
| 57 | G | 61 | Low | 58.8 | Low | 46 Ų | 46 | 115 Ų | 115 | 47% | 0.474 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -62.6 | -35.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | G53 F61 | G53-G57 PolarHBondContact O-N 2.97Å; G57-F61 PolarHBondContact O-N 3.18Å |
| 58 | L | 60.3 | Low | 59.3 | Low | 124 Ų | 124 | 113.7 Ų | 113.7 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.9 | -38 | 179.7 | -70.1 | 170.6 | 0 | 0 | 0 | 112.6 | L56 W60 F61 V62 | L56-L58 VanDerWaalsContact C-N 3.32Å; L56-L58 PolarHBondContact O-N 3.46Å; L58-W60 PolarHBondContact O-N 3.47Å; L58-F61 PolarHBondContact O-N 3.03Å; L58-V62 WeakPolarHBondContact O-CG2 3.46Å; L58-V62 PolarHBondContact O-N 3.21Å |
| 59 | A | 63.4 | Low | 59.8 | Low | 68 Ų | 68 | 115.1 Ų | 115.1 | 56% | 0.562 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.2 | -42 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L56 F63 | L56-A59 PolarHBondContact O-N 3.38Å; A59-F63 PolarHBondContact O-N 3.34Å |
| 60 | W | 57.3 | Low | 60.5 | Low | 198 Ų | 198 | 110.4 Ų | 110.4 | 75% | 0.75 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.5 | -41.4 | 178.3 | -173.2 | -93.1 | 0 | 0 | 0 | 112.4 | L58 V62 F63 Q64 | L58-W60 PolarHBondContact O-N 3.47Å; W60-V62 PolarHBondContact O-N 3.47Å; W60-F63 PolarHBondContact O-N 3.19Å; W60-Q64 PolarHBondContact O-N 3.25Å; W60-Q64 VanDerWaalsContact O-N 3.13Å |
| 61 | F | 67.9 | Low | 61.2 | Low | 122 Ų | 122 | 110.7 Ų | 110.7 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.5 | -38.7 | -179.5 | -172.5 | -102.7 | 0 | 0 | 0 | 112.8 | G57 L58 Q64 Q65 | G57-F61 PolarHBondContact O-N 3.18Å; L58-F61 PolarHBondContact O-N 3.03Å; F61-Q64 PolarHBondContact O-N 3.41Å; F61-Q65 VanDerWaalsContact CE1-NE2 3.33Å; F61-Q65 PolarHBondContact O-N 3.11Å |
| 62 | V | 65.6 | Low | 62.1 | Low | 97 Ų | 97 | 110 Ų | 110 | 59% | 0.588 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.1 | -44.3 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | L58 W60 Q64 Q65 S66 | L58-V62 WeakPolarHBondContact O-CG2 3.46Å; L58-V62 PolarHBondContact O-N 3.21Å; W60-V62 PolarHBondContact O-N 3.47Å; V62-Q64 VanDerWaalsContact C-N 3.25Å; V62-Q64 PolarHBondContact O-N 3.45Å; V62-Q65 WeakPolarHBondContact O-CB 3.08Å; V62-Q65 PolarHBondContact O-N 3.34Å; V62-S66 PolarHBondContact O-N 3.43Å; V62-S66 PolarHBondContact O-OG 3.28Å |
| 63 | F | 61 | Low | 62.9 | Low | 168 Ų | 168 | 109.3 Ų | 109.3 | 74% | 0.737 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62 | -35.3 | 178.3 | -156.2 | -95.8 | 0 | 0 | 0 | 112.1 | A59 W60 Q65 S66 | A59-F63 PolarHBondContact O-N 3.34Å; W60-F63 PolarHBondContact O-N 3.19Å; F63-Q65 VanDerWaalsContact C-N 3.29Å; F63-Q65 PolarHBondContact O-N 3.08Å; F63-S66 WeakPolarHBondContact CA-OG 3.48Å; F63-S66 PolarHBondContact O-N 3.35Å; F63-S66 PolarHBondContact O-OG 3.4Å |
| 64 | Q | 60.8 | Low | 63.5 | Low | 92 Ų | 92 | 112.6 Ų | 112.6 | 43% | 0.43 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -73.1 | -13.8 | 175 | -151.9 | -175 | 30.3 | 0 | 0 | 114.1 | W60 F61 V62 | W60-Q64 PolarHBondContact O-N 3.25Å; W60-Q64 VanDerWaalsContact O-N 3.13Å; F61-Q64 PolarHBondContact O-N 3.41Å; V62-Q64 VanDerWaalsContact C-N 3.25Å; V62-Q64 PolarHBondContact O-N 3.45Å |
| 65 | Q | 61.6 | Low | 64 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 52% | 0.523 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -80.9 | -40.9 | 169.6 | -73.4 | -164.6 | 0 | 0 | 0 | 112.3 | F61 V62 F63 E67 K68 F69 | F61-Q65 VanDerWaalsContact CE1-NE2 3.33Å; F61-Q65 PolarHBondContact O-N 3.11Å; V62-Q65 WeakPolarHBondContact O-CB 3.08Å; V62-Q65 PolarHBondContact O-N 3.34Å; F63-Q65 VanDerWaalsContact C-N 3.29Å; F63-Q65 PolarHBondContact O-N 3.08Å; Q65-E67 VanDerWaalsContact C-N 3.35Å; Q65-E67 PolarHBondContact O-N 3.19Å; Q65-K68 PolarHBondContact O-N 3.42Å; Q65-K68 VanDerWaalsContact O-N 3.09Å; Q65-F69 PolarHBondContact O-N 3.43Å |
| 66 | S | 61.4 | Low | 64.7 | Low | 64 Ų | 64 | 117.7 Ų | 117.7 | 45% | 0.448 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -55.6 | -44.9 | -176.8 | 17.7 | 0 | 0 | 0 | 0 | 113.4 | V62 F63 K68 F69 A70 | V62-S66 PolarHBondContact O-N 3.43Å; V62-S66 PolarHBondContact O-OG 3.28Å; F63-S66 WeakPolarHBondContact CA-OG 3.48Å; F63-S66 PolarHBondContact O-N 3.35Å; F63-S66 PolarHBondContact O-OG 3.4Å; S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 PolarHBondContact O-N 3.22Å; S66-F69 PolarHBondContact O-N 3.45Å; S66-A70 PolarHBondContact O-N 3.45Å |
| 67 | E | 64.8 | Low | 65.3 | Low | 154 Ų | 154 | 116.6 Ų | 116.6 | 72% | 0.72 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.8 | -33.7 | 179.2 | -169.2 | 177.7 | -143.6 | 0 | 0 | 112.6 | Q65 K71 | Q65-E67 VanDerWaalsContact C-N 3.35Å; Q65-E67 PolarHBondContact O-N 3.19Å; E67-K71 PolarHBondContact O-N 3.36Å |
| 68 | K | 61.8 | Low | 66 | Low | 133 Ų | 133 | 119.9 Ų | 119.9 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -71.8 | -35.3 | 175.6 | -69.4 | 178.9 | -178.5 | 174.2 | 0 | 112 | Q65 S66 K71 V72 | Q65-K68 PolarHBondContact O-N 3.42Å; Q65-K68 VanDerWaalsContact O-N 3.09Å; S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 PolarHBondContact O-N 3.22Å; K68-K71 PolarHBondContact O-N 3Å; K68-V72 PolarHBondContact O-N 3Å |
| 69 | F | 62.8 | Low | 66.6 | Low | 146 Ų | 146 | 118.8 Ų | 118.8 | 64% | 0.64 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.1 | -43.8 | 177.9 | -153.9 | -88.2 | 0 | 0 | 0 | 111.6 | Q65 S66 K71 V72 E73 | Q65-F69 PolarHBondContact O-N 3.43Å; S66-F69 PolarHBondContact O-N 3.45Å; F69-K71 VanDerWaalsContact C-N 3.26Å; F69-K71 PolarHBondContact O-N 3.35Å; F69-V72 PolarHBondContact O-N 3.28Å; F69-E73 PolarHBondContact O-N 3.37Å |
| 70 | A | 62.7 | Low | 67.1 | Low | 57 Ų | 57 | 121.3 Ų | 121.3 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58 | -36 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S66 N74 | S66-A70 PolarHBondContact O-N 3.45Å; A70-N74 WeakPolarHBondContact O-CB 3.46Å; A70-N74 PolarHBondContact O-N 3.09Å |
| 71 | K | 68.3 | Low | 68.1 | Low | 153 Ų | 153 | 116.8 Ų | 116.8 | 67% | 0.665 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.6 | -37.1 | 175.6 | -170.9 | 169.9 | -177.6 | 173.8 | 0 | 112.8 | E67 K68 F69 Q75 | E67-K71 PolarHBondContact O-N 3.36Å; K68-K71 PolarHBondContact O-N 3Å; F69-K71 VanDerWaalsContact C-N 3.26Å; F69-K71 PolarHBondContact O-N 3.35Å; K71-Q75 PolarHBondContact O-N 3.07Å |
| 72 | V | 71.1 | Confident | 68.5 | Low | 88 Ų | 88 | 115 Ų | 115 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.4 | -43.2 | 176.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | K68 F69 N74 Q75 Y76 | K68-V72 PolarHBondContact O-N 3Å; F69-V72 PolarHBondContact O-N 3.28Å; V72-N74 VanDerWaalsContact C-N 3.34Å; V72-N74 PolarHBondContact O-N 3Å; V72-Q75 PolarHBondContact O-N 2.91Å; V72-Y76 PolarHBondContact O-N 3.26Å |
| 73 | E | 71.9 | Confident | 69 | Low | 108 Ų | 108 | 114 Ų | 114 | 51% | 0.505 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.7 | -42.7 | 178.4 | -177.1 | 168.6 | -163.2 | 0 | 0 | 111.9 | F69 Q75 Y76 Q77 | F69-E73 PolarHBondContact O-N 3.37Å; E73-Q75 PolarHBondContact O-N 3.35Å; E73-Y76 PolarHBondContact O-N 3.27Å; E73-Y76 VanDerWaalsContact O-N 3.13Å; E73-Q77 WeakPolarHBondContact O-CG 3.42Å; E73-Q77 PolarHBondContact O-N 3.1Å |
| 74 | N | 70.6 | Confident | 69.7 | Low | 122 Ų | 122 | 110.3 Ų | 110.3 | 65% | 0.652 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.4 | -38 | 178.4 | -145.1 | -23.4 | 0 | 0 | 0 | 112 | A70 V72 Y76 Q77 L78 | A70-N74 WeakPolarHBondContact O-CB 3.46Å; A70-N74 PolarHBondContact O-N 3.09Å; V72-N74 VanDerWaalsContact C-N 3.34Å; V72-N74 PolarHBondContact O-N 3Å; N74-Y76 VanDerWaalsContact C-N 3.35Å; N74-Q77 PolarHBondContact O-N 3.17Å; N74-L78 PolarHBondContact O-N 3.44Å |
| 75 | Q | 72.5 | Confident | 70.5 | Confident | 128 Ų | 128 | 112 Ų | 112 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66 | -34.8 | 170.8 | -73 | -168.6 | -55.1 | 0 | 0 | 112.7 | K71 V72 E73 L78 L79 | K71-Q75 PolarHBondContact O-N 3.07Å; V72-Q75 PolarHBondContact O-N 2.91Å; E73-Q75 PolarHBondContact O-N 3.35Å; Q75-L78 PolarHBondContact O-N 3.05Å; Q75-L79 WeakPolarHBondContact O-CB 3.49Å; Q75-L79 PolarHBondContact O-N 2.89Å |
| 76 | Y | 71.3 | Confident | 71.3 | Confident | 167 Ų | 167 | 112.7 Ų | 112.7 | 66% | 0.655 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.8 | -37.3 | 177.1 | -158.3 | -94.5 | 0 | 0 | 0 | 112.3 | V72 E73 N74 K80 | V72-Y76 PolarHBondContact O-N 3.26Å; E73-Y76 PolarHBondContact O-N 3.27Å; E73-Y76 VanDerWaalsContact O-N 3.13Å; N74-Y76 VanDerWaalsContact C-N 3.35Å; Y76-K80 VanDerWaalsContact O-CB 3.26Å; Y76-K80 WeakPolarHBondContact O-CB 3.44Å; Y76-K80 PolarHBondContact O-N 3.38Å |
| 77 | Q | 73.1 | Confident | 72.1 | Confident | 102 Ų | 102 | 115.5 Ų | 115.5 | 48% | 0.477 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.2 | -40.7 | 173 | -64.9 | -69.3 | 5.2 | 0 | 0 | 111.9 | E73 N74 K80 L81 | E73-Q77 WeakPolarHBondContact O-CG 3.42Å; E73-Q77 PolarHBondContact O-N 3.1Å; N74-Q77 PolarHBondContact O-N 3.17Å; Q77-K80 PolarHBondContact O-N 2.93Å; Q77-L81 PolarHBondContact O-N 3.3Å |
| 78 | L | 75.6 | Confident | 72.9 | Confident | 115 Ų | 115 | 113.1 Ų | 113.1 | 60% | 0.602 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.3 | -51.4 | 173.6 | -171.5 | 77.1 | 0 | 0 | 0 | 110.8 | N74 Q75 K80 L81 E82 | N74-L78 PolarHBondContact O-N 3.44Å; Q75-L78 PolarHBondContact O-N 3.05Å; L78-K80 PolarHBondContact O-N 3.03Å; L78-L81 PolarHBondContact O-N 2.92Å; L78-L81 VanDerWaalsContact O-N 3.09Å; L78-E82 WeakPolarHBondContact O-CB 3.43Å; L78-E82 PolarHBondContact O-N 2.9Å |
| 79 | L | 72.9 | Confident | 73.9 | Confident | 101 Ų | 101 | 111 Ų | 111 | 53% | 0.529 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.9 | -31.9 | 180 | -161.8 | 74.3 | 0 | 0 | 0 | 112 | Q75 T83 | Q75-L79 WeakPolarHBondContact O-CB 3.49Å; Q75-L79 PolarHBondContact O-N 2.89Å; L79-T83 VanDerWaalsContact O-CB 3.27Å; L79-T83 WeakPolarHBondContact O-CB 3.42Å; L79-T83 PolarHBondContact O-N 3.27Å; L79-T83 PolarHBondContact O-OG1 2.98Å |
| 80 | K | 74.4 | Confident | 74.8 | Confident | 121 Ų | 121 | 110.5 Ų | 110.5 | 53% | 0.526 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.3 | -37.1 | 173.9 | -174.3 | 178.9 | -179.2 | -177 | 0 | 112.6 | Y76 Q77 L78 T83 N84 | Y76-K80 VanDerWaalsContact O-CB 3.26Å; Y76-K80 WeakPolarHBondContact O-CB 3.44Å; Y76-K80 PolarHBondContact O-N 3.38Å; Q77-K80 PolarHBondContact O-N 2.93Å; L78-K80 PolarHBondContact O-N 3.03Å; K80-T83 PolarHBondContact O-N 2.82Å; K80-N84 VanDerWaalsContact O-CG 3.3Å; K80-N84 PolarHBondContact O-N 3.46Å; K80-N84 PolarHBondContact O-ND2 3Å |
| 81 | L | 77.3 | Confident | 75.7 | Confident | 102 Ų | 102 | 111 Ų | 111 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.9 | -46.5 | 173.5 | -171.7 | 150.3 | 0 | 0 | 0 | 110.5 | Q77 L78 T83 N84 E85 | Q77-L81 PolarHBondContact O-N 3.3Å; L78-L81 PolarHBondContact O-N 2.92Å; L78-L81 VanDerWaalsContact O-N 3.09Å; L81-T83 VanDerWaalsContact C-N 3.3Å; L81-T83 PolarHBondContact O-N 3.28Å; L81-N84 WeakPolarHBondContact O-CB 3.5Å; L81-N84 PolarHBondContact O-N 2.88Å; L81-N84 VanDerWaalsContact O-N 3.08Å; L81-E85 HydrophobicContact CD2-CG 4.35Å; L81-E85 PolarHBondContact O-N 3.38Å |
| 82 | E | 76.9 | Confident | 76.5 | Confident | 85 Ų | 85 | 108.6 Ų | 108.6 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 173.5 | -167.1 | 179.5 | -179.7 | 0 | 0 | 111.5 | L78 N84 E85 F86 | L78-E82 WeakPolarHBondContact O-CB 3.43Å; L78-E82 PolarHBondContact O-N 2.9Å; E82-N84 PolarHBondContact O-N 3.09Å; E82-E85 PolarHBondContact O-N 2.86Å; E82-F86 HydrophobicContact CG-CD2 3.95Å; E82-F86 HydrophobicContact CG-CE2 3.88Å; E82-F86 WeakPolarHBondContact O-CD2 3.5Å; E82-F86 PolarHBondContact O-N 3.37Å |
| 83 | T | 76.4 | Confident | 77 | Confident | 75 Ų | 75 | 109.3 Ų | 109.3 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 172.7 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | L79 K80 L81 E85 F86 Q87 | L79-T83 VanDerWaalsContact O-CB 3.27Å; L79-T83 WeakPolarHBondContact O-CB 3.42Å; L79-T83 PolarHBondContact O-N 3.27Å; L79-T83 PolarHBondContact O-OG1 2.98Å; K80-T83 PolarHBondContact O-N 2.82Å; L81-T83 VanDerWaalsContact C-N 3.3Å; L81-T83 PolarHBondContact O-N 3.28Å; T83-E85 VanDerWaalsContact C-N 3.34Å; T83-F86 PolarHBondContact O-N 3.49Å; T83-Q87 WeakPolarHBondContact O-CB 3.45Å; T83-Q87 PolarHBondContact O-N 3.28Å |
| 84 | N | 76.1 | Confident | 77.4 | Confident | 92 Ų | 92 | 107.7 Ų | 107.7 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 174.1 | -69.1 | -34 | 0 | 0 | 0 | 111.5 | K80 L81 E82 Q87 Q88 | K80-N84 VanDerWaalsContact O-CG 3.3Å; K80-N84 PolarHBondContact O-N 3.46Å; K80-N84 PolarHBondContact O-ND2 3Å; L81-N84 WeakPolarHBondContact O-CB 3.5Å; L81-N84 PolarHBondContact O-N 2.88Å; L81-N84 VanDerWaalsContact O-N 3.08Å; E82-N84 PolarHBondContact O-N 3.09Å; N84-Q87 PolarHBondContact O-N 3.26Å; N84-Q88 WeakPolarHBondContact O-CB 3.38Å; N84-Q88 PolarHBondContact O-N 3.22Å |
| 85 | E | 78 | Confident | 78 | Confident | 127 Ų | 127 | 106.6 Ų | 106.6 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 174.6 | -68.4 | -163.1 | 151.5 | 0 | 0 | 112 | L81 E82 T83 Q87 Q88 L89 | L81-E85 HydrophobicContact CD2-CG 4.35Å; L81-E85 PolarHBondContact O-N 3.38Å; E82-E85 PolarHBondContact O-N 2.86Å; T83-E85 VanDerWaalsContact C-N 3.34Å; E85-Q87 PolarHBondContact O-N 2.95Å; E85-Q88 CarbonylContact O-C 3.55Å; E85-Q88 PolarHBondContact O-N 3.4Å; E85-L89 WeakPolarHBondContact O-CB 3.35Å; E85-L89 PolarHBondContact O-N 2.98Å |
| 86 | F | 77.3 | Confident | 78.6 | Confident | 126 Ų | 126 | 105.2 Ų | 105.2 | 55% | 0.553 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -40.3 | 171.3 | -90.4 | -68.8 | 0 | 0 | 0 | 112.4 | E82 T83 Q88 L89 Q90 | E82-F86 HydrophobicContact CG-CD2 3.95Å; E82-F86 HydrophobicContact CG-CE2 3.88Å; E82-F86 WeakPolarHBondContact O-CD2 3.5Å; E82-F86 PolarHBondContact O-N 3.37Å; T83-F86 PolarHBondContact O-N 3.49Å; F86-Q88 VanDerWaalsContact C-N 3.34Å; F86-L89 PolarHBondContact O-N 3.26Å; F86-Q90 WeakPolarHBondContact O-CB 3.28Å; F86-Q90 PolarHBondContact O-N 3.38Å |
| 87 | Q | 79.2 | Confident | 79.1 | Confident | 123 Ų | 123 | 100.5 Ų | 100.5 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.2 | -34.5 | 175.8 | -168.1 | 175.1 | 11.2 | 0 | 0 | 111.6 | T83 N84 E85 S91 | T83-Q87 WeakPolarHBondContact O-CB 3.45Å; T83-Q87 PolarHBondContact O-N 3.28Å; N84-Q87 PolarHBondContact O-N 3.26Å; E85-Q87 PolarHBondContact O-N 2.95Å; Q87-S91 PolarHBondContact O-N 3.49Å; Q87-S91 PolarHBondContact O-OG 2.84Å |
| 88 | Q | 81.8 | Confident | 79.7 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.4 | -34.1 | 171.4 | -162.3 | -163.5 | 77.4 | 0 | 0 | 112.1 | N84 E85 F86 S91 K92 | N84-Q88 WeakPolarHBondContact O-CB 3.38Å; N84-Q88 PolarHBondContact O-N 3.22Å; E85-Q88 CarbonylContact O-C 3.55Å; E85-Q88 PolarHBondContact O-N 3.4Å; F86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-S91 PolarHBondContact O-N 2.98Å; Q88-S91 PolarHBondContact O-OG 2.99Å; Q88-K92 HydrophobicContact CG-CD 4.49Å; Q88-K92 WeakPolarHBondContact O-CB 3.39Å; Q88-K92 WeakPolarHBondContact O-CD 3.23Å; Q88-K92 VanDerWaalsContact O-CG 3.22Å; Q88-K92 WeakPolarHBondContact O-CG 3.28Å; Q88-K92 PolarHBondContact O-N 2.64Å |
| 89 | L | 81.7 | Confident | 80.2 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 46% | 0.461 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 174 | -157.4 | 79.9 | 0 | 0 | 0 | 110.3 | E85 F86 K92 I93 | E85-L89 WeakPolarHBondContact O-CB 3.35Å; E85-L89 PolarHBondContact O-N 2.98Å; F86-L89 PolarHBondContact O-N 3.26Å; L89-K92 PolarHBondContact O-N 2.92Å; L89-I93 HydrophobicContact CD2-CD1 4.36Å; L89-I93 HydrophobicContact CG-CD1 4.19Å; L89-I93 WeakPolarHBondContact O-CB 3.24Å; L89-I93 VanDerWaalsContact O-CG1 3.24Å; L89-I93 WeakPolarHBondContact O-CG1 3.44Å; L89-I93 PolarHBondContact O-N 3.48Å |
| 90 | Q | 82.3 | Confident | 80.6 | Confident | 136 Ų | 136 | 102.2 Ų | 102.2 | 64% | 0.636 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -41.2 | 174.1 | -171.4 | -179.7 | 14.4 | 0 | 0 | 111.6 | F86 I93 S94 | F86-Q90 WeakPolarHBondContact O-CB 3.28Å; F86-Q90 PolarHBondContact O-N 3.38Å; Q90-I93 PolarHBondContact O-N 3.23Å; Q90-S94 WeakPolarHBondContact O-CB 3.5Å; Q90-S94 PolarHBondContact O-N 3.02Å |
| 91 | S | 80.7 | Confident | 81 | Confident | 68 Ų | 68 | 102.9 Ų | 102.9 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.5 | -36.1 | 175.2 | 71 | 0 | 0 | 0 | 0 | 112.5 | Q87 Q88 S94 L95 | Q87-S91 PolarHBondContact O-N 3.49Å; Q87-S91 PolarHBondContact O-OG 2.84Å; Q88-S91 PolarHBondContact O-N 2.98Å; Q88-S91 PolarHBondContact O-OG 2.99Å; S91-S94 PolarHBondContact O-N 3.48Å; S91-L95 WeakPolarHBondContact O-CB 3.46Å; S91-L95 PolarHBondContact O-N 2.99Å |
| 92 | K | 85.4 | Confident | 81.3 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 44% | 0.443 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 169.8 | -75.2 | 163.9 | 173.9 | 170.4 | 0 | 112.2 | Q88 L89 L95 I96 | Q88-K92 HydrophobicContact CG-CD 4.49Å; Q88-K92 WeakPolarHBondContact O-CB 3.39Å; Q88-K92 WeakPolarHBondContact O-CD 3.23Å; Q88-K92 VanDerWaalsContact O-CG 3.22Å; Q88-K92 WeakPolarHBondContact O-CG 3.28Å; Q88-K92 PolarHBondContact O-N 2.64Å; L89-K92 PolarHBondContact O-N 2.92Å; K92-L95 PolarHBondContact O-N 3.14Å; K92-I96 WeakPolarHBondContact O-CB 3.45Å; K92-I96 WeakPolarHBondContact O-CD1 3.47Å; K92-I96 WeakPolarHBondContact O-CG1 3.41Å; K92-I96 PolarHBondContact O-N 2.84Å |
| 93 | I | 82.3 | Confident | 81.5 | Confident | 103 Ų | 103 | 100.1 Ų | 100.1 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 176.2 | -73.1 | 165 | 0 | 0 | 0 | 110.5 | L89 Q90 I96 S97 | L89-I93 HydrophobicContact CD2-CD1 4.36Å; L89-I93 HydrophobicContact CG-CD1 4.19Å; L89-I93 WeakPolarHBondContact O-CB 3.24Å; L89-I93 VanDerWaalsContact O-CG1 3.24Å; L89-I93 WeakPolarHBondContact O-CG1 3.44Å; L89-I93 PolarHBondContact O-N 3.48Å; Q90-I93 PolarHBondContact O-N 3.23Å; I93-I96 PolarHBondContact O-N 3.03Å; I93-S97 WeakPolarHBondContact O-CB 3.46Å; I93-S97 PolarHBondContact O-N 3.25Å |
| 94 | S | 79.1 | Confident | 81.8 | Confident | 74 Ų | 74 | 103 Ų | 103 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 174.3 | -166 | 0 | 0 | 0 | 0 | 111.4 | Q90 S91 S97 E98 | Q90-S94 WeakPolarHBondContact O-CB 3.5Å; Q90-S94 PolarHBondContact O-N 3.02Å; S91-S94 PolarHBondContact O-N 3.48Å; S94-S97 PolarHBondContact O-N 3.45Å; S94-E98 WeakPolarHBondContact O-CB 3.22Å; S94-E98 PolarHBondContact O-N 3.49Å |
| 95 | L | 84.6 | Confident | 82 | Confident | 98 Ų | 98 | 101.4 Ų | 101.4 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.9 | -171 | 81.8 | 0 | 0 | 0 | 111.7 | S91 K92 K99 | S91-L95 WeakPolarHBondContact O-CB 3.46Å; S91-L95 PolarHBondContact O-N 2.99Å; K92-L95 PolarHBondContact O-N 3.14Å; L95-K99 VanDerWaalsContact O-CB 3.31Å; L95-K99 WeakPolarHBondContact O-CB 3.33Å; L95-K99 WeakPolarHBondContact O-CG 3.47Å; L95-K99 PolarHBondContact O-N 3.25Å |
| 96 | I | 84 | Confident | 82.3 | Confident | 100 Ų | 100 | 100.1 Ų | 100.1 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 176.3 | -71.1 | 163.8 | 0 | 0 | 0 | 110.6 | K92 I93 K99 L100 | K92-I96 WeakPolarHBondContact O-CB 3.45Å; K92-I96 WeakPolarHBondContact O-CD1 3.47Å; K92-I96 WeakPolarHBondContact O-CG1 3.41Å; K92-I96 PolarHBondContact O-N 2.84Å; I93-I96 PolarHBondContact O-N 3.03Å; I96-K99 PolarHBondContact O-N 2.83Å; I96-L100 HydrophobicContact CG2-CD1 3.94Å; I96-L100 HydrophobicContact CG2-CG 4.41Å; I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 VanDerWaalsContact O-CG 3.3Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 2.86Å |
| 97 | S | 83 | Confident | 82.5 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 47% | 0.469 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 175.4 | -163.6 | 0 | 0 | 0 | 0 | 111.4 | I93 S94 K99 L100 E101 | I93-S97 WeakPolarHBondContact O-CB 3.46Å; I93-S97 PolarHBondContact O-N 3.25Å; S94-S97 PolarHBondContact O-N 3.45Å; S97-K99 VanDerWaalsContact C-N 3.3Å; S97-K99 PolarHBondContact O-N 3.45Å; S97-L100 PolarHBondContact O-N 3.17Å; S97-L100 VanDerWaalsContact O-N 3.17Å; S97-E101 WeakPolarHBondContact O-CB 3.49Å; S97-E101 PolarHBondContact O-N 2.91Å |
| 98 | E | 84.1 | Confident | 82.7 | Confident | 121 Ų | 121 | 100.1 Ų | 100.1 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.9 | -38.8 | 174.6 | -174.5 | -172.6 | 171.8 | 0 | 0 | 111.3 | S94 S102 | S94-E98 WeakPolarHBondContact O-CB 3.22Å; S94-E98 PolarHBondContact O-N 3.49Å; E98-S102 WeakPolarHBondContact O-CB 3.4Å; E98-S102 PolarHBondContact O-N 3.4Å |
| 99 | K | 87.5 | Confident | 82.7 | Confident | 125 Ų | 125 | 101.1 Ų | 101.1 | 54% | 0.543 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.9 | -33.5 | 174.1 | -71.9 | -67.6 | 171.7 | -159.1 | 0 | 113.2 | L95 I96 S97 T103 | L95-K99 VanDerWaalsContact O-CB 3.31Å; L95-K99 WeakPolarHBondContact O-CB 3.33Å; L95-K99 WeakPolarHBondContact O-CG 3.47Å; L95-K99 PolarHBondContact O-N 3.25Å; I96-K99 PolarHBondContact O-N 2.83Å; S97-K99 VanDerWaalsContact C-N 3.3Å; S97-K99 PolarHBondContact O-N 3.45Å; K99-T103 VanDerWaalsContact O-CB 3.28Å; K99-T103 WeakPolarHBondContact O-CB 3.42Å; K99-T103 PolarHBondContact O-N 2.79Å; K99-T103 PolarHBondContact O-OG1 2.98Å |
| 100 | L | 80.7 | Confident | 82.7 | Confident | 109 Ų | 109 | 99.2 Ų | 99.2 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.2 | -46.8 | 174 | -78.5 | 168.9 | 0 | 0 | 0 | 110.9 | I96 S97 S102 T103 E104 | I96-L100 HydrophobicContact CG2-CD1 3.94Å; I96-L100 HydrophobicContact CG2-CG 4.41Å; I96-L100 WeakPolarHBondContact O-CB 3.3Å; I96-L100 VanDerWaalsContact O-CG 3.3Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 2.86Å; S97-L100 PolarHBondContact O-N 3.17Å; S97-L100 VanDerWaalsContact O-N 3.17Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.03Å; L100-T103 CarbonylContact O-C 3.51Å; L100-T103 WeakPolarHBondContact O-CA 3.49Å; L100-T103 PolarHBondContact O-N 3.27Å; L100-E104 WeakPolarHBondContact O-CB 3.4Å; L100-E104 PolarHBondContact O-N 2.91Å |
| 101 | E | 83.5 | Confident | 82.6 | Confident | 135 Ų | 135 | 96.5 Ų | 96.5 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -38.4 | 175.6 | -172.1 | 171.9 | -167.2 | 0 | 0 | 111.6 | S97 T103 S105 | S97-E101 WeakPolarHBondContact O-CB 3.49Å; S97-E101 PolarHBondContact O-N 2.91Å; E101-T103 VanDerWaalsContact C-N 3.32Å; E101-T103 PolarHBondContact O-N 2.73Å; E101-S105 WeakPolarHBondContact O-CB 3.43Å; E101-S105 PolarHBondContact O-N 2.9Å; E101-S105 PolarHBondContact O-OG 2.76Å |
| 102 | S | 82.9 | Confident | 82.7 | Confident | 49 Ų | 49 | 95.8 Ų | 95.8 | 34% | 0.343 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -29.5 | 169.9 | 178.2 | 0 | 0 | 0 | 0 | 113.2 | E98 L100 S105 I106 | E98-S102 WeakPolarHBondContact O-CB 3.4Å; E98-S102 PolarHBondContact O-N 3.4Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 3.03Å; S102-S105 WeakPolarHBondContact CA-OG 3.46Å; S102-S105 PolarHBondContact O-OG 3.38Å; S102-I106 WeakPolarHBondContact O-CB 3.41Å; S102-I106 VanDerWaalsContact O-CD1 3.27Å; S102-I106 WeakPolarHBondContact O-CD1 3.42Å; S102-I106 WeakPolarHBondContact O-CG1 3.39Å; S102-I106 PolarHBondContact O-N 2.85Å |
| 103 | T | 80.3 | Confident | 82.5 | Confident | 80 Ų | 80 | 94 Ų | 94 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -83.2 | -35.1 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | K99 L100 E101 I106 L107 | K99-T103 VanDerWaalsContact O-CB 3.28Å; K99-T103 WeakPolarHBondContact O-CB 3.42Å; K99-T103 PolarHBondContact O-N 2.79Å; K99-T103 PolarHBondContact O-OG1 2.98Å; L100-T103 CarbonylContact O-C 3.51Å; L100-T103 WeakPolarHBondContact O-CA 3.49Å; L100-T103 PolarHBondContact O-N 3.27Å; E101-T103 VanDerWaalsContact C-N 3.32Å; E101-T103 PolarHBondContact O-N 2.73Å; T103-I106 PolarHBondContact O-N 2.94Å; T103-L107 WeakPolarHBondContact O-CB 3.37Å; T103-L107 PolarHBondContact O-N 3.28Å |
| 104 | E | 83.4 | Confident | 82.4 | Confident | 135 Ų | 135 | 95.4 Ų | 95.4 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.2 | -43.5 | 175.1 | -176.9 | 170.5 | -169.6 | 0 | 0 | 110.9 | L100 L107 Q108 | L100-E104 WeakPolarHBondContact O-CB 3.4Å; L100-E104 PolarHBondContact O-N 2.91Å; E104-L107 PolarHBondContact O-N 2.93Å; E104-Q108 VanDerWaalsContact O-CB 3.24Å; E104-Q108 WeakPolarHBondContact O-CB 3.33Å; E104-Q108 PolarHBondContact O-N 3.16Å |
| 105 | S | 80.9 | Confident | 82.7 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 41% | 0.413 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 172.6 | 48.1 | 0 | 0 | 0 | 0 | 112.6 | E101 S102 Q108 E109 | E101-S105 WeakPolarHBondContact O-CB 3.43Å; E101-S105 PolarHBondContact O-N 2.9Å; E101-S105 PolarHBondContact O-OG 2.76Å; S102-S105 WeakPolarHBondContact CA-OG 3.46Å; S102-S105 PolarHBondContact O-OG 3.38Å; S105-Q108 PolarHBondContact O-N 3.14Å; S105-E109 VanDerWaalsContact O-CB 3.3Å; S105-E109 WeakPolarHBondContact O-CB 3.45Å; S105-E109 PolarHBondContact O-N 3.15Å |
| 106 | I | 83.4 | Confident | 82.8 | Confident | 100 Ų | 100 | 95.3 Ų | 95.3 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 172.7 | -71.3 | 168.8 | 0 | 0 | 0 | 111.6 | S102 T103 E109 A110 | S102-I106 WeakPolarHBondContact O-CB 3.41Å; S102-I106 VanDerWaalsContact O-CD1 3.27Å; S102-I106 WeakPolarHBondContact O-CD1 3.42Å; S102-I106 WeakPolarHBondContact O-CG1 3.39Å; S102-I106 PolarHBondContact O-N 2.85Å; T103-I106 PolarHBondContact O-N 2.94Å; I106-E109 PolarHBondContact O-N 2.72Å; I106-A110 VanDerWaalsContact O-CB 3.24Å; I106-A110 WeakPolarHBondContact O-CB 3.43Å; I106-A110 PolarHBondContact O-N 2.89Å |
| 107 | L | 81.3 | Confident | 83 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72 | -34.5 | 178.1 | -173.8 | 148.1 | 0 | 0 | 0 | 111.6 | T103 E104 T111 | T103-L107 WeakPolarHBondContact O-CB 3.37Å; T103-L107 PolarHBondContact O-N 3.28Å; E104-L107 PolarHBondContact O-N 2.93Å; L107-T111 VanDerWaalsContact O-CB 3.28Å; L107-T111 WeakPolarHBondContact O-CB 3.41Å; L107-T111 PolarHBondContact O-N 2.85Å; L107-T111 PolarHBondContact O-OG1 2.98Å |
| 108 | Q | 83.3 | Confident | 83.3 | Confident | 136 Ų | 136 | 96.7 Ų | 96.7 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.8 | -42.6 | 172.5 | -173 | 178.9 | 12.4 | 0 | 0 | 111 | E104 S105 T111 S112 | E104-Q108 VanDerWaalsContact O-CB 3.24Å; E104-Q108 WeakPolarHBondContact O-CB 3.33Å; E104-Q108 PolarHBondContact O-N 3.16Å; S105-Q108 PolarHBondContact O-N 3.14Å; Q108-T111 PolarHBondContact O-N 2.84Å; Q108-S112 WeakPolarHBondContact O-CB 3.32Å; Q108-S112 PolarHBondContact O-N 2.93Å |
| 109 | E | 82.8 | Confident | 83.6 | Confident | 126 Ų | 126 | 96 Ų | 96 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 173.1 | -175.9 | 171.7 | -154.6 | 0 | 0 | 111 | S105 I106 T111 S112 S113 | S105-E109 VanDerWaalsContact O-CB 3.3Å; S105-E109 WeakPolarHBondContact O-CB 3.45Å; S105-E109 PolarHBondContact O-N 3.15Å; I106-E109 PolarHBondContact O-N 2.72Å; E109-T111 PolarHBondContact O-N 3.14Å; E109-S112 PolarHBondContact O-N 3.39Å; E109-S112 PolarHBondContact O-OG 3.18Å; E109-S113 WeakPolarHBondContact O-CB 3.38Å; E109-S113 PolarHBondContact O-N 2.69Å; E109-S113 PolarHBondContact O-OG 3.35Å |
| 110 | A | 81.5 | Confident | 83.7 | Confident | 48 Ų | 48 | 95.8 Ų | 95.8 | 40% | 0.397 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I106 S112 S113 M114 | I106-A110 VanDerWaalsContact O-CB 3.24Å; I106-A110 WeakPolarHBondContact O-CB 3.43Å; I106-A110 PolarHBondContact O-N 2.89Å; A110-S112 PolarHBondContact O-N 3.43Å; A110-S113 CarbonylContact O-C 3.56Å; A110-S113 WeakPolarHBondContact O-CB 3.12Å; A110-S113 PolarHBondContact O-N 3.46Å; A110-M114 WeakPolarHBondContact O-CG 3.38Å; A110-M114 PolarHBondContact O-N 3.36Å |
| 111 | T | 79.1 | Confident | 84.2 | Confident | 79 Ų | 79 | 96.2 Ų | 96.2 | 49% | 0.485 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | L107 Q108 E109 S113 M114 S115 | L107-T111 VanDerWaalsContact O-CB 3.28Å; L107-T111 WeakPolarHBondContact O-CB 3.41Å; L107-T111 PolarHBondContact O-N 2.85Å; L107-T111 PolarHBondContact O-OG1 2.98Å; Q108-T111 PolarHBondContact O-N 2.84Å; E109-T111 PolarHBondContact O-N 3.14Å; T111-S113 VanDerWaalsContact C-N 3.35Å; T111-M114 PolarHBondContact O-N 2.85Å; T111-S115 PolarHBondContact O-N 3.41Å |
| 112 | S | 82.8 | Confident | 84.7 | Confident | 54 Ų | 54 | 95.3 Ų | 95.3 | 38% | 0.378 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 174.2 | 78.3 | 0 | 0 | 0 | 0 | 111.6 | Q108 E109 A110 M114 S115 L116 | Q108-S112 WeakPolarHBondContact O-CB 3.32Å; Q108-S112 PolarHBondContact O-N 2.93Å; E109-S112 PolarHBondContact O-N 3.39Å; E109-S112 PolarHBondContact O-OG 3.18Å; A110-S112 PolarHBondContact O-N 3.43Å; S112-M114 PolarHBondContact O-N 2.67Å; S112-S115 PolarHBondContact O-N 2.96Å; S112-S115 PolarHBondContact O-OG 3.45Å; S112-L116 WeakPolarHBondContact O-CG 3.38Å; S112-L116 PolarHBondContact O-N 2.9Å |
| 113 | S | 81.3 | Confident | 85.2 | Confident | 65 Ų | 65 | 97.9 Ų | 97.9 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 174.5 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | E109 A110 T111 L116 M117 | E109-S113 WeakPolarHBondContact O-CB 3.38Å; E109-S113 PolarHBondContact O-N 2.69Å; E109-S113 PolarHBondContact O-OG 3.35Å; A110-S113 CarbonylContact O-C 3.56Å; A110-S113 WeakPolarHBondContact O-CB 3.12Å; A110-S113 PolarHBondContact O-N 3.46Å; T111-S113 VanDerWaalsContact C-N 3.35Å; S113-L116 PolarHBondContact O-N 3.44Å; S113-M117 WeakPolarHBondContact O-CB 3.43Å; S113-M117 PolarHBondContact O-N 3.35Å |
| 114 | M | 81.3 | Confident | 85.8 | Confident | 131 Ų | 131 | 97 Ų | 97 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -40.3 | 171.4 | -72.7 | 178 | 69.4 | 0 | 0 | 111.7 | A110 T111 S112 M117 T118 | A110-M114 WeakPolarHBondContact O-CG 3.38Å; A110-M114 PolarHBondContact O-N 3.36Å; T111-M114 PolarHBondContact O-N 2.85Å; S112-M114 PolarHBondContact O-N 2.67Å; M114-M117 WeakPolarHBondContact O-CB 3.32Å; M114-M117 PolarHBondContact O-N 3.5Å; M114-T118 PolarHBondContact O-N 2.89Å; M114-T118 PolarHBondContact O-OG1 2.75Å |
| 115 | S | 84.6 | Confident | 86.3 | Confident | 64 Ų | 64 | 93 Ų | 93 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 174.7 | 69.2 | 0 | 0 | 0 | 0 | 112.3 | T111 S112 M117 T118 Q119 | T111-S115 PolarHBondContact O-N 3.41Å; S112-S115 PolarHBondContact O-N 2.96Å; S112-S115 PolarHBondContact O-OG 3.45Å; S115-M117 VanDerWaalsContact C-N 3.33Å; S115-M117 PolarHBondContact O-N 2.86Å; S115-T118 WeakPolarHBondContact CA-OG1 3.44Å; S115-T118 PolarHBondContact O-N 2.85Å; S115-T118 PolarHBondContact O-OG1 3.18Å; S115-Q119 PolarHBondContact O-N 2.9Å |
| 116 | L | 86.8 | Confident | 87 | Confident | 107 Ų | 107 | 93.9 Ų | 93.9 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.9 | -36.9 | 173.3 | -71.7 | 171.1 | 0 | 0 | 0 | 111.6 | S112 S113 Q119 F120 | S112-L116 WeakPolarHBondContact O-CG 3.38Å; S112-L116 PolarHBondContact O-N 2.9Å; S113-L116 PolarHBondContact O-N 3.44Å; L116-Q119 PolarHBondContact O-N 3.3Å; L116-F120 WeakPolarHBondContact O-CB 3.43Å; L116-F120 PolarHBondContact O-N 3.01Å |
| 117 | M | 89.2 | Confident | 87.5 | Confident | 111 Ų | 111 | 94.6 Ų | 94.6 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 173.7 | -173.7 | 65.7 | -166.8 | 0 | 0 | 111.5 | S113 M114 S115 Q119 F120 E121 | S113-M117 WeakPolarHBondContact O-CB 3.43Å; S113-M117 PolarHBondContact O-N 3.35Å; M114-M117 WeakPolarHBondContact O-CB 3.32Å; M114-M117 PolarHBondContact O-N 3.5Å; S115-M117 VanDerWaalsContact C-N 3.33Å; S115-M117 PolarHBondContact O-N 2.86Å; M117-Q119 VanDerWaalsContact C-N 3.34Å; M117-Q119 PolarHBondContact O-N 3.12Å; M117-F120 PolarHBondContact O-N 2.92Å; M117-E121 WeakPolarHBondContact O-CB 3.48Å; M117-E121 PolarHBondContact O-N 2.91Å |
| 118 | T | 88.5 | Confident | 88.2 | Confident | 85 Ų | 85 | 94.5 Ų | 94.5 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.7 | -33.7 | 175.6 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | M114 S115 Q122 | M114-T118 PolarHBondContact O-N 2.89Å; M114-T118 PolarHBondContact O-OG1 2.75Å; S115-T118 WeakPolarHBondContact CA-OG1 3.44Å; S115-T118 PolarHBondContact O-N 2.85Å; S115-T118 PolarHBondContact O-OG1 3.18Å; T118-Q122 WeakPolarHBondContact O-CB 3.44Å; T118-Q122 PolarHBondContact O-N 3.37Å |
| 119 | Q | 89.9 | Confident | 88.7 | Confident | 105 Ų | 105 | 93.5 Ų | 93.5 | 49% | 0.491 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 171.2 | -179.2 | -179.2 | -18.7 | 0 | 0 | 110.8 | S115 L116 M117 Q122 E123 | S115-Q119 PolarHBondContact O-N 2.9Å; L116-Q119 PolarHBondContact O-N 3.3Å; M117-Q119 VanDerWaalsContact C-N 3.34Å; M117-Q119 PolarHBondContact O-N 3.12Å; Q119-Q122 WeakPolarHBondContact O-CB 3.47Å; Q119-Q122 PolarHBondContact O-N 2.98Å; Q119-E123 HydrophobicContact CG-CG 4.46Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.38Å; Q119-E123 PolarHBondContact NE2-OE1 3.33Å; Q119-E123 WeakPolarHBondContact O-CB 3.48Å; Q119-E123 WeakPolarHBondContact O-CG 3.42Å; Q119-E123 PolarHBondContact O-N 3.05Å |
| 120 | F | 91.3 | Very high | 89.3 | Confident | 122 Ų | 122 | 91.3 Ų | 91.3 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 177.6 | -178.4 | -106.1 | 0 | 0 | 0 | 112.2 | L116 M117 E123 V124 | L116-F120 WeakPolarHBondContact O-CB 3.43Å; L116-F120 PolarHBondContact O-N 3.01Å; M117-F120 PolarHBondContact O-N 2.92Å; F120-E123 PolarHBondContact O-N 3.25Å; F120-V124 HydrophobicContact CD1-CG2 4.17Å; F120-V124 HydrophobicContact CD2-CG2 4.35Å; F120-V124 HydrophobicContact CE1-CG2 3.76Å; F120-V124 HydrophobicContact CE2-CG2 3.95Å; F120-V124 HydrophobicContact CG-CG2 4.45Å; F120-V124 HydrophobicContact CZ-CG2 3.64Å; F120-V124 WeakPolarHBondContact O-CB 3.37Å; F120-V124 VanDerWaalsContact O-CG2 3.28Å; F120-V124 WeakPolarHBondContact O-CG2 3.27Å; F120-V124 PolarHBondContact O-N 2.78Å |
| 121 | E | 91.2 | Very high | 90 | Very high | 118 Ų | 118 | 94.8 Ų | 94.8 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 174 | -173.4 | 172.6 | -168.7 | 0 | 0 | 111.7 | M117 S125 | M117-E121 WeakPolarHBondContact O-CB 3.48Å; M117-E121 PolarHBondContact O-N 2.91Å; E121-S125 WeakPolarHBondContact O-CB 3.29Å; E121-S125 PolarHBondContact O-N 2.85Å; E121-S125 PolarHBondContact O-OG 2.94Å |
| 122 | Q | 93.1 | Very high | 90.7 | Very high | 116 Ų | 116 | 95.3 Ų | 95.3 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 171.6 | -176.1 | 73 | 73.3 | 0 | 0 | 111.9 | T118 Q119 S125 N126 | T118-Q122 WeakPolarHBondContact O-CB 3.44Å; T118-Q122 PolarHBondContact O-N 3.37Å; Q119-Q122 WeakPolarHBondContact O-CB 3.47Å; Q119-Q122 PolarHBondContact O-N 2.98Å; Q122-S125 PolarHBondContact O-N 2.92Å; Q122-N126 PolarHBondContact NE2-OD1 3.28Å; Q122-N126 WeakPolarHBondContact O-CB 3.47Å; Q122-N126 PolarHBondContact O-N 2.98Å; Q122-N126 PolarHBondContact O-ND2 3.27Å; Q122-N126 PolarHBondContact O-OD1 3.41Å |
| 123 | E | 92.8 | Very high | 91.4 | Very high | 102 Ų | 102 | 94.1 Ų | 94.1 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.3 | -38.2 | 178.3 | -77.2 | 177.6 | -162.4 | 0 | 0 | 112.4 | Q119 F120 L127 | Q119-E123 HydrophobicContact CG-CG 4.46Å; Q119-E123 WeakPolarHBondContact CG-OE1 3.38Å; Q119-E123 PolarHBondContact NE2-OE1 3.33Å; Q119-E123 WeakPolarHBondContact O-CB 3.48Å; Q119-E123 WeakPolarHBondContact O-CG 3.42Å; Q119-E123 PolarHBondContact O-N 3.05Å; F120-E123 PolarHBondContact O-N 3.25Å; E123-L127 VanDerWaalsContact O-CB 3.25Å; E123-L127 WeakPolarHBondContact O-CB 3.26Å; E123-L127 PolarHBondContact O-N 3.31Å |
| 124 | V | 93.1 | Very high | 92 | Very high | 61 Ų | 61 | 96.3 Ų | 96.3 | 37% | 0.37 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -41.4 | 172.5 | 168.1 | 0 | 0 | 0 | 0 | 111 | F120 L127 Q128 | F120-V124 HydrophobicContact CD1-CG2 4.17Å; F120-V124 HydrophobicContact CD2-CG2 4.35Å; F120-V124 HydrophobicContact CE1-CG2 3.76Å; F120-V124 HydrophobicContact CE2-CG2 3.95Å; F120-V124 HydrophobicContact CG-CG2 4.45Å; F120-V124 HydrophobicContact CZ-CG2 3.64Å; F120-V124 WeakPolarHBondContact O-CB 3.37Å; F120-V124 VanDerWaalsContact O-CG2 3.28Å; F120-V124 WeakPolarHBondContact O-CG2 3.27Å; F120-V124 PolarHBondContact O-N 2.78Å; V124-L127 PolarHBondContact O-N 3Å; V124-Q128 WeakPolarHBondContact O-CB 2.98Å; V124-Q128 PolarHBondContact O-N 2.91Å |
| 125 | S | 94.8 | Very high | 92.7 | Very high | 53 Ų | 53 | 95.5 Ų | 95.5 | 37% | 0.371 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -48.3 | 175.3 | -58 | 0 | 0 | 0 | 0 | 111.2 | E121 Q122 L127 Q128 D129 | E121-S125 WeakPolarHBondContact O-CB 3.29Å; E121-S125 PolarHBondContact O-N 2.85Å; E121-S125 PolarHBondContact O-OG 2.94Å; Q122-S125 PolarHBondContact O-N 2.92Å; S125-L127 VanDerWaalsContact C-N 3.31Å; S125-L127 PolarHBondContact O-N 3.37Å; S125-Q128 PolarHBondContact O-N 3.12Å; S125-D129 PolarHBondContact O-N 3.19Å |
| 126 | N | 95 | Very high | 93.2 | Very high | 76 Ų | 76 | 97.1 Ų | 97.1 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 175.1 | -65.3 | -11.6 | 0 | 0 | 0 | 111.6 | Q122 D129 T130 | Q122-N126 PolarHBondContact NE2-OD1 3.28Å; Q122-N126 WeakPolarHBondContact O-CB 3.47Å; Q122-N126 PolarHBondContact O-N 2.98Å; Q122-N126 PolarHBondContact O-ND2 3.27Å; Q122-N126 PolarHBondContact O-OD1 3.41Å; N126-D129 PolarHBondContact O-N 3.02Å; N126-T130 WeakPolarHBondContact O-CG2 3.27Å; N126-T130 PolarHBondContact O-N 3Å; N126-T130 PolarHBondContact O-OG1 2.88Å |
| 127 | L | 94.8 | Very high | 93.6 | Very high | 115 Ų | 115 | 97.4 Ų | 97.4 | 60% | 0.602 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 176.1 | 179.9 | 61.9 | 0 | 0 | 0 | 111 | E123 V124 S125 D129 T130 M131 | E123-L127 VanDerWaalsContact O-CB 3.25Å; E123-L127 WeakPolarHBondContact O-CB 3.26Å; E123-L127 PolarHBondContact O-N 3.31Å; V124-L127 PolarHBondContact O-N 3Å; S125-L127 VanDerWaalsContact C-N 3.31Å; S125-L127 PolarHBondContact O-N 3.37Å; L127-D129 PolarHBondContact O-N 3.42Å; L127-T130 WeakPolarHBondContact CA-OG1 3.4Å; L127-T130 PolarHBondContact O-N 2.92Å; L127-T130 PolarHBondContact O-OG1 3.41Å; L127-M131 WeakPolarHBondContact O-CB 3.4Å; L127-M131 PolarHBondContact O-N 3.34Å |
| 128 | Q | 94.6 | Very high | 93.9 | Very high | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.9 | -177.8 | 171.1 | -22.6 | 0 | 0 | 111.6 | V124 S125 M131 H132 | V124-Q128 WeakPolarHBondContact O-CB 2.98Å; V124-Q128 PolarHBondContact O-N 2.91Å; S125-Q128 PolarHBondContact O-N 3.12Å; Q128-M131 WeakPolarHBondContact O-CB 3.49Å; Q128-M131 PolarHBondContact O-N 2.83Å; Q128-H132 PolarHBondContact O-N 3.29Å; Q128-H132 PolarHBondContact O-ND1 3.38Å |
| 129 | D | 95.4 | Very high | 94.3 | Very high | 115 Ų | 115 | 99.3 Ų | 99.3 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 174.7 | -78.7 | -16.6 | 0 | 0 | 0 | 111.8 | S125 N126 L127 M131 H132 G133 | S125-D129 PolarHBondContact O-N 3.19Å; N126-D129 PolarHBondContact O-N 3.02Å; L127-D129 PolarHBondContact O-N 3.42Å; D129-M131 VanDerWaalsContact C-N 3.31Å; D129-M131 PolarHBondContact O-N 3.48Å; D129-H132 PolarHBondContact O-N 3.45Å; D129-G133 PolarHBondContact O-N 3.44Å |
| 130 | T | 95.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 97 Ų | 97 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -34.3 | 175.2 | 60.4 | 0 | 0 | 0 | 0 | 112.5 | N126 L127 G133 I134 | N126-T130 WeakPolarHBondContact O-CG2 3.27Å; N126-T130 PolarHBondContact O-N 3Å; N126-T130 PolarHBondContact O-OG1 2.88Å; L127-T130 WeakPolarHBondContact CA-OG1 3.4Å; L127-T130 PolarHBondContact O-N 2.92Å; L127-T130 PolarHBondContact O-OG1 3.41Å; T130-G133 PolarHBondContact O-N 3.38Å; T130-I134 VanDerWaalsContact O-CG1 3.26Å; T130-I134 WeakPolarHBondContact O-CG1 3.49Å; T130-I134 PolarHBondContact O-N 3.39Å |
| 131 | M | 94.5 | Very high | 94.8 | Very high | 121 Ų | 121 | 96.8 Ų | 96.8 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.5 | -44.4 | 175.7 | -176.2 | 175.5 | 176.5 | 0 | 0 | 111.8 | L127 Q128 D129 G133 I134 Q135 | L127-M131 WeakPolarHBondContact O-CB 3.4Å; L127-M131 PolarHBondContact O-N 3.34Å; Q128-M131 WeakPolarHBondContact O-CB 3.49Å; Q128-M131 PolarHBondContact O-N 2.83Å; D129-M131 VanDerWaalsContact C-N 3.31Å; D129-M131 PolarHBondContact O-N 3.48Å; M131-G133 VanDerWaalsContact C-N 3.32Å; M131-G133 PolarHBondContact O-N 3.27Å; M131-I134 PolarHBondContact O-N 3.24Å; M131-Q135 WeakPolarHBondContact O-CB 3.43Å; M131-Q135 PolarHBondContact O-N 3.08Å |
| 132 | H | 95.3 | Very high | 95 | Very high | 91 Ų | 91 | 95.3 Ų | 95.3 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 173.5 | -72.3 | 72.6 | 0 | 0 | 0 | 111.3 | Q128 D129 Q135 N136 | Q128-H132 PolarHBondContact O-N 3.29Å; Q128-H132 PolarHBondContact O-ND1 3.38Å; D129-H132 PolarHBondContact O-N 3.45Å; H132-Q135 PolarHBondContact O-N 3.28Å; H132-N136 WeakPolarHBondContact O-CB 3.32Å; H132-N136 PolarHBondContact O-N 2.93Å; H132-N136 PolarHBondContact O-ND2 2.87Å |
| 133 | G | 95.6 | Very high | 95.2 | Very high | 29 Ų | 29 | 94.9 Ų | 94.9 | 30% | 0.299 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D129 T130 M131 N137 | D129-G133 PolarHBondContact O-N 3.44Å; T130-G133 PolarHBondContact O-N 3.38Å; M131-G133 VanDerWaalsContact C-N 3.32Å; M131-G133 PolarHBondContact O-N 3.27Å; G133-N137 WeakPolarHBondContact O-CB 3.44Å; G133-N137 PolarHBondContact O-N 3.31Å; G133-N137 PolarHBondContact O-ND2 2.97Å |
| 134 | I | 94.5 | Very high | 95.4 | Very high | 111 Ų | 111 | 98.5 Ų | 98.5 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -48.1 | 174.8 | -71.7 | 162.1 | 0 | 0 | 0 | 110.4 | T130 M131 N136 N137 E138 | T130-I134 VanDerWaalsContact O-CG1 3.26Å; T130-I134 WeakPolarHBondContact O-CG1 3.49Å; T130-I134 PolarHBondContact O-N 3.39Å; M131-I134 PolarHBondContact O-N 3.24Å; I134-N136 PolarHBondContact O-N 2.93Å; I134-N137 CarbonylContact O-C 3.58Å; I134-N137 WeakPolarHBondContact O-CB 3.43Å; I134-N137 PolarHBondContact O-N 2.9Å; I134-N137 VanDerWaalsContact O-N 3.12Å; I134-E138 PolarHBondContact O-N 3.27Å |
| 135 | Q | 95.3 | Very high | 95.5 | Very high | 113 Ų | 113 | 101.5 Ų | 101.5 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | -179.3 | -174 | 175.6 | -9.7 | 0 | 0 | 112.5 | M131 H132 N137 E138 E139 | M131-Q135 WeakPolarHBondContact O-CB 3.43Å; M131-Q135 PolarHBondContact O-N 3.08Å; H132-Q135 PolarHBondContact O-N 3.28Å; Q135-N137 VanDerWaalsContact C-N 3.31Å; Q135-N137 PolarHBondContact O-N 2.9Å; Q135-E138 WeakPolarHBondContact O-CB 3.42Å; Q135-E138 PolarHBondContact O-N 2.93Å; Q135-E139 PolarHBondContact O-N 2.69Å |
| 136 | N | 96.1 | Very high | 95.6 | Very high | 98 Ų | 98 | 104.5 Ų | 104.5 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 175.2 | -69.5 | -12.5 | 0 | 0 | 0 | 112 | H132 I134 V140 | H132-N136 WeakPolarHBondContact O-CB 3.32Å; H132-N136 PolarHBondContact O-N 2.93Å; H132-N136 PolarHBondContact O-ND2 2.87Å; I134-N136 PolarHBondContact O-N 2.93Å; N136-V140 WeakPolarHBondContact O-CG2 3.36Å; N136-V140 PolarHBondContact O-N 3.3Å; N136-V140 VanDerWaalsContact O-N 3.09Å |
| 137 | N | 96 | Very high | 95.7 | Very high | 113 Ų | 113 | 103 Ų | 103 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.1 | -34.2 | 174.9 | -79.3 | -54.6 | 0 | 0 | 0 | 112.4 | G133 I134 Q135 L141 | G133-N137 WeakPolarHBondContact O-CB 3.44Å; G133-N137 PolarHBondContact O-N 3.31Å; G133-N137 PolarHBondContact O-ND2 2.97Å; I134-N137 CarbonylContact O-C 3.58Å; I134-N137 WeakPolarHBondContact O-CB 3.43Å; I134-N137 PolarHBondContact O-N 2.9Å; I134-N137 VanDerWaalsContact O-N 3.12Å; Q135-N137 VanDerWaalsContact C-N 3.31Å; Q135-N137 PolarHBondContact O-N 2.9Å; N137-L141 VanDerWaalsContact O-CB 3.24Å; N137-L141 WeakPolarHBondContact O-CB 3.48Å; N137-L141 PolarHBondContact O-N 2.94Å |
| 138 | E | 94.9 | Very high | 95.9 | Very high | 124 Ų | 124 | 101.3 Ų | 101.3 | 58% | 0.579 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -41.4 | 174.1 | -176.1 | 174.2 | -165.7 | 0 | 0 | 111.7 | I134 Q135 L141 T142 | I134-E138 PolarHBondContact O-N 3.27Å; Q135-E138 WeakPolarHBondContact O-CB 3.42Å; Q135-E138 PolarHBondContact O-N 2.93Å; E138-L141 PolarHBondContact O-N 2.71Å; E138-T142 WeakPolarHBondContact O-CB 3.46Å; E138-T142 PolarHBondContact O-N 3.33Å; E138-T142 PolarHBondContact O-OG1 3.46Å |
| 139 | E | 95.9 | Very high | 96 | Very high | 112 Ų | 112 | 100 Ų | 100 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 173.5 | -163.3 | -165.3 | 150.5 | 0 | 0 | 111.1 | Q135 L141 T142 Q143 | Q135-E139 PolarHBondContact O-N 2.69Å; E139-L141 VanDerWaalsContact C-N 3.28Å; E139-L141 PolarHBondContact O-N 3.36Å; E139-T142 WeakPolarHBondContact O-CB 3.37Å; E139-T142 PolarHBondContact O-N 3.13Å; E139-T142 VanDerWaalsContact O-N 3.08Å; E139-Q143 WeakPolarHBondContact O-CG 3.07Å; E139-Q143 PolarHBondContact O-N 3.22Å; E139-Q143 PolarHBondContact OE1-NE2 2.88Å |
| 140 | V | 95.9 | Very high | 96.1 | Very high | 58 Ų | 58 | 99.1 Ų | 99.1 | 35% | 0.352 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -36.2 | 177.4 | 169.8 | 0 | 0 | 0 | 0 | 111.9 | N136 R144 | N136-V140 WeakPolarHBondContact O-CG2 3.36Å; N136-V140 PolarHBondContact O-N 3.3Å; N136-V140 VanDerWaalsContact O-N 3.09Å; V140-R144 WeakPolarHBondContact O-CB 3.48Å; V140-R144 WeakPolarHBondContact O-CG 3.43Å; V140-R144 PolarHBondContact O-N 3.49Å |
| 141 | L | 96.3 | Very high | 96.2 | Very high | 117 Ų | 117 | 101.3 Ų | 101.3 | 61% | 0.613 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -41.1 | 173.9 | -179 | 60 | 0 | 0 | 0 | 111.6 | N137 E138 E139 R144 M145 | N137-L141 VanDerWaalsContact O-CB 3.24Å; N137-L141 WeakPolarHBondContact O-CB 3.48Å; N137-L141 PolarHBondContact O-N 2.94Å; E138-L141 PolarHBondContact O-N 2.71Å; E139-L141 VanDerWaalsContact C-N 3.28Å; E139-L141 PolarHBondContact O-N 3.36Å; L141-R144 PolarHBondContact O-N 2.89Å; L141-M145 WeakPolarHBondContact O-CB 3.38Å; L141-M145 PolarHBondContact O-N 2.93Å |
| 142 | T | 96.3 | Very high | 96.3 | Very high | 86 Ų | 86 | 101.1 Ų | 101.1 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 177.5 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | E138 E139 R144 M145 Q146 | E138-T142 WeakPolarHBondContact O-CB 3.46Å; E138-T142 PolarHBondContact O-N 3.33Å; E138-T142 PolarHBondContact O-OG1 3.46Å; E139-T142 WeakPolarHBondContact O-CB 3.37Å; E139-T142 PolarHBondContact O-N 3.13Å; E139-T142 VanDerWaalsContact O-N 3.08Å; T142-R144 VanDerWaalsContact C-N 3.33Å; T142-R144 PolarHBondContact O-N 3.4Å; T142-M145 PolarHBondContact O-N 2.91Å; T142-Q146 PolarHBondContact O-N 2.99Å |
| 143 | Q | 96.7 | Very high | 96.4 | Very high | 107 Ų | 107 | 101.4 Ų | 101.4 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 174 | -67.1 | 176.7 | 11.7 | 0 | 0 | 111.8 | E139 Q146 S147 | E139-Q143 WeakPolarHBondContact O-CG 3.07Å; E139-Q143 PolarHBondContact O-N 3.22Å; E139-Q143 PolarHBondContact OE1-NE2 2.88Å; Q143-Q146 PolarHBondContact O-N 2.9Å; Q143-S147 PolarHBondContact O-N 2.77Å |
| 144 | R | 96.8 | Very high | 96.5 | Very high | 179 Ų | 179 | 105.5 Ų | 105.5 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 174.9 | -75.9 | 171.8 | -177.8 | -165 | 3 | 112.4 | V140 L141 T142 S147 L148 | V140-R144 WeakPolarHBondContact O-CB 3.48Å; V140-R144 WeakPolarHBondContact O-CG 3.43Å; V140-R144 PolarHBondContact O-N 3.49Å; L141-R144 PolarHBondContact O-N 2.89Å; T142-R144 VanDerWaalsContact C-N 3.33Å; T142-R144 PolarHBondContact O-N 3.4Å; R144-S147 PolarHBondContact O-N 3.39Å; R144-L148 VanDerWaalsContact O-CB 3.28Å; R144-L148 WeakPolarHBondContact O-CB 3.42Å; R144-L148 PolarHBondContact O-N 2.63Å |
| 145 | M | 96.1 | Very high | 96.7 | Very high | 123 Ų | 123 | 104.3 Ų | 104.3 | 61% | 0.606 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -40.3 | 177.5 | -174.8 | 60.2 | -177.6 | 0 | 0 | 111.5 | L141 T142 L148 N149 | L141-M145 WeakPolarHBondContact O-CB 3.38Å; L141-M145 PolarHBondContact O-N 2.93Å; T142-M145 PolarHBondContact O-N 2.91Å; M145-L148 PolarHBondContact O-N 3.38Å; M145-N149 WeakPolarHBondContact O-CB 3.42Å; M145-N149 PolarHBondContact O-N 3.48Å |
| 146 | Q | 96.8 | Very high | 96.8 | Very high | 116 Ų | 116 | 102.6 Ų | 102.6 | 54% | 0.542 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -51.5 | 172.7 | -175.1 | -175.6 | -33.1 | 0 | 0 | 111.3 | T142 Q143 L148 N149 E150 | T142-Q146 PolarHBondContact O-N 2.99Å; Q143-Q146 PolarHBondContact O-N 2.9Å; Q146-L148 PolarHBondContact O-N 3.13Å; Q146-N149 WeakPolarHBondContact O-CB 3.26Å; Q146-N149 PolarHBondContact O-N 3.45Å; Q146-N149 VanDerWaalsContact O-N 3.08Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.08Å; Q146-E150 PolarHBondContact NE2-OE1 2.89Å; Q146-E150 WeakPolarHBondContact O-CG 3.47Å; Q146-E150 PolarHBondContact O-N 3.44Å |
| 147 | S | 97.3 | Very high | 96.9 | Very high | 44 Ų | 44 | 102.6 Ų | 102.6 | 31% | 0.308 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -31.6 | 178.5 | -174.9 | 0 | 0 | 0 | 0 | 112.8 | Q143 R144 K151 | Q143-S147 PolarHBondContact O-N 2.77Å; R144-S147 PolarHBondContact O-N 3.39Å; S147-K151 WeakPolarHBondContact O-CD 3.35Å; S147-K151 VanDerWaalsContact O-CG 3.28Å; S147-K151 WeakPolarHBondContact O-CG 3.48Å; S147-K151 PolarHBondContact O-N 3.1Å; S147-K151 VanDerWaalsContact O-N 3.16Å; S147-K151 PolarHBondContact OG-NZ 2.67Å |
| 148 | L | 97.3 | Very high | 97 | Very high | 81 Ų | 81 | 103.3 Ų | 103.3 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.5 | -42.7 | 173.6 | -179 | 60 | 0 | 0 | 0 | 111.7 | R144 M145 Q146 K151 F152 | R144-L148 VanDerWaalsContact O-CB 3.28Å; R144-L148 WeakPolarHBondContact O-CB 3.42Å; R144-L148 PolarHBondContact O-N 2.63Å; M145-L148 PolarHBondContact O-N 3.38Å; Q146-L148 PolarHBondContact O-N 3.13Å; L148-K151 PolarHBondContact O-N 3.04Å; L148-F152 HydrophobicContact CD1-CD2 4.05Å; L148-F152 HydrophobicContact CD1-CE2 3.6Å; L148-F152 HydrophobicContact CD1-CZ 4.14Å; L148-F152 HydrophobicContact CD2-CE2 4.07Å; L148-F152 HydrophobicContact CG-CD2 3.9Å; L148-F152 HydrophobicContact CG-CE2 3.57Å; L148-F152 VanDerWaalsContact O-CD2 3.26Å; L148-F152 WeakPolarHBondContact O-CD2 3.43Å; L148-F152 PolarHBondContact O-N 3.39Å |
| 149 | N | 96.9 | Very high | 97.1 | Very high | 81 Ų | 81 | 105.5 Ų | 105.5 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 174 | 177.2 | 66.1 | 0 | 0 | 0 | 111.8 | M145 Q146 K151 F152 Q153 | M145-N149 WeakPolarHBondContact O-CB 3.42Å; M145-N149 PolarHBondContact O-N 3.48Å; Q146-N149 WeakPolarHBondContact O-CB 3.26Å; Q146-N149 PolarHBondContact O-N 3.45Å; Q146-N149 VanDerWaalsContact O-N 3.08Å; N149-K151 VanDerWaalsContact C-N 3.29Å; N149-K151 PolarHBondContact O-N 3.4Å; N149-F152 PolarHBondContact O-N 3.15Å; N149-F152 VanDerWaalsContact O-N 3.09Å; N149-Q153 WeakPolarHBondContact O-CG 3.44Å; N149-Q153 PolarHBondContact O-N 3.13Å |
| 150 | E | 97.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 107.1 Ų | 107.1 | 46% | 0.458 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.8 | -41.6 | 175 | -71.8 | 166.5 | -176.4 | 0 | 0 | 112.1 | Q146 Q153 N154 | Q146-E150 WeakPolarHBondContact CG-OE1 3.08Å; Q146-E150 PolarHBondContact NE2-OE1 2.89Å; Q146-E150 WeakPolarHBondContact O-CG 3.47Å; Q146-E150 PolarHBondContact O-N 3.44Å; E150-Q153 PolarHBondContact O-N 2.95Å; E150-N154 WeakPolarHBondContact O-CB 3.49Å; E150-N154 PolarHBondContact O-N 2.87Å |
| 151 | K | 97.4 | Very high | 97.3 | Very high | 126 Ų | 126 | 111.2 Ų | 111.2 | 55% | 0.548 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 173.6 | -74.6 | 165 | -175.6 | 159.9 | 0 | 112.2 | S147 L148 N149 N154 I155 | S147-K151 WeakPolarHBondContact O-CD 3.35Å; S147-K151 VanDerWaalsContact O-CG 3.28Å; S147-K151 WeakPolarHBondContact O-CG 3.48Å; S147-K151 PolarHBondContact O-N 3.1Å; S147-K151 VanDerWaalsContact O-N 3.16Å; S147-K151 PolarHBondContact OG-NZ 2.67Å; L148-K151 PolarHBondContact O-N 3.04Å; N149-K151 VanDerWaalsContact C-N 3.29Å; N149-K151 PolarHBondContact O-N 3.4Å; K151-N154 PolarHBondContact O-N 3.4Å; K151-I155 WeakPolarHBondContact O-CB 3.41Å; K151-I155 WeakPolarHBondContact O-CD1 3.36Å; K151-I155 VanDerWaalsContact O-CG1 3.22Å; K151-I155 WeakPolarHBondContact O-CG1 3.45Å; K151-I155 PolarHBondContact O-N 2.89Å |
| 152 | F | 97.7 | Very high | 97.3 | Very high | 117 Ų | 117 | 107.1 Ų | 107.1 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.3 | -79.7 | -55.3 | 0 | 0 | 0 | 112.1 | L148 N149 I155 T156 | L148-F152 HydrophobicContact CD1-CD2 4.05Å; L148-F152 HydrophobicContact CD1-CE2 3.6Å; L148-F152 HydrophobicContact CD1-CZ 4.14Å; L148-F152 HydrophobicContact CD2-CE2 4.07Å; L148-F152 HydrophobicContact CG-CD2 3.9Å; L148-F152 HydrophobicContact CG-CE2 3.57Å; L148-F152 VanDerWaalsContact O-CD2 3.26Å; L148-F152 WeakPolarHBondContact O-CD2 3.43Å; L148-F152 PolarHBondContact O-N 3.39Å; N149-F152 PolarHBondContact O-N 3.15Å; N149-F152 VanDerWaalsContact O-N 3.09Å; F152-I155 PolarHBondContact O-N 2.89Å; F152-T156 WeakPolarHBondContact O-CB 3.41Å; F152-T156 PolarHBondContact O-N 3.31Å; F152-T156 PolarHBondContact O-OG1 2.94Å |
| 153 | Q | 97.6 | Very high | 97.4 | Very high | 96 Ų | 96 | 108.8 Ų | 108.8 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 176 | -62.3 | -54 | -36.9 | 0 | 0 | 111.7 | N149 E150 I155 T156 D157 | N149-Q153 WeakPolarHBondContact O-CG 3.44Å; N149-Q153 PolarHBondContact O-N 3.13Å; E150-Q153 PolarHBondContact O-N 2.95Å; Q153-I155 VanDerWaalsContact C-N 3.32Å; Q153-I155 PolarHBondContact O-N 3.26Å; Q153-T156 CarbonylContact O-C 3.58Å; Q153-T156 WeakPolarHBondContact O-CA 3.3Å; Q153-T156 WeakPolarHBondContact O-CB 3.47Å; Q153-T156 PolarHBondContact O-N 2.91Å; Q153-D157 PolarHBondContact O-N 3.38Å |
| 154 | N | 98.1 | Very high | 97.5 | Very high | 115 Ų | 115 | 109 Ų | 109 | 62% | 0.615 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.9 | -41.3 | 177.5 | -171 | -8.2 | 0 | 0 | 0 | 112 | E150 K151 D157 F158 | E150-N154 WeakPolarHBondContact O-CB 3.49Å; E150-N154 PolarHBondContact O-N 2.87Å; K151-N154 PolarHBondContact O-N 3.4Å; N154-D157 PolarHBondContact O-N 3.04Å; N154-F158 WeakPolarHBondContact O-CB 3.45Å; N154-F158 PolarHBondContact O-N 3.01Å |
| 155 | I | 97.8 | Very high | 97.5 | Very high | 87 Ų | 87 | 105.4 Ų | 105.4 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 172.5 | -71.9 | 166.1 | 0 | 0 | 0 | 111 | K151 F152 Q153 F158 W159 | K151-I155 WeakPolarHBondContact O-CB 3.41Å; K151-I155 WeakPolarHBondContact O-CD1 3.36Å; K151-I155 VanDerWaalsContact O-CG1 3.22Å; K151-I155 WeakPolarHBondContact O-CG1 3.45Å; K151-I155 PolarHBondContact O-N 2.89Å; F152-I155 PolarHBondContact O-N 2.89Å; Q153-I155 VanDerWaalsContact C-N 3.32Å; Q153-I155 PolarHBondContact O-N 3.26Å; I155-F158 PolarHBondContact O-N 2.9Å; I155-W159 PolarHBondContact O-N 2.92Å |
| 156 | T | 97.6 | Very high | 97.6 | Very high | 77 Ų | 77 | 104.2 Ų | 104.2 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 177.7 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | F152 Q153 W159 K160 | F152-T156 WeakPolarHBondContact O-CB 3.41Å; F152-T156 PolarHBondContact O-N 3.31Å; F152-T156 PolarHBondContact O-OG1 2.94Å; Q153-T156 CarbonylContact O-C 3.58Å; Q153-T156 WeakPolarHBondContact O-CA 3.3Å; Q153-T156 WeakPolarHBondContact O-CB 3.47Å; Q153-T156 PolarHBondContact O-N 2.91Å; T156-W159 PolarHBondContact O-N 3.37Å; T156-K160 VanDerWaalsContact O-CB 3.29Å; T156-K160 WeakPolarHBondContact O-CB 3.34Å; T156-K160 PolarHBondContact O-N 2.93Å |
| 157 | D | 97.6 | Very high | 97.7 | Very high | 97 Ų | 97 | 102.5 Ų | 102.5 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 176.2 | -78.2 | -35.7 | 0 | 0 | 0 | 112.1 | Q153 N154 K160 K161 | Q153-D157 PolarHBondContact O-N 3.38Å; N154-D157 PolarHBondContact O-N 3.04Å; D157-K160 PolarHBondContact O-N 2.88Å; D157-K161 WeakPolarHBondContact O-CB 3.23Å; D157-K161 PolarHBondContact O-N 3.29Å |
| 158 | F | 97.9 | Very high | 97.7 | Very high | 129 Ų | 129 | 104.3 Ų | 104.3 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.4 | -49.3 | 172.1 | 177.1 | -93.1 | 0 | 0 | 0 | 111.8 | N154 I155 K160 K161 S162 | N154-F158 WeakPolarHBondContact O-CB 3.45Å; N154-F158 PolarHBondContact O-N 3.01Å; I155-F158 PolarHBondContact O-N 2.9Å; F158-K160 VanDerWaalsContact C-N 3.33Å; F158-K160 PolarHBondContact O-N 3.39Å; F158-K161 PolarHBondContact O-N 2.88Å; F158-S162 WeakPolarHBondContact O-CB 3.28Å; F158-S162 PolarHBondContact O-N 2.86Å |
| 159 | W | 97.6 | Very high | 97.7 | Very high | 170 Ų | 170 | 104.5 Ų | 104.5 | 64% | 0.644 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -40.9 | 176.1 | -77.4 | 118.1 | 0 | 0 | 0 | 112.2 | I155 T156 S162 L163 | I155-W159 PolarHBondContact O-N 2.92Å; T156-W159 PolarHBondContact O-N 3.37Å; W159-S162 PolarHBondContact O-N 3.5Å; W159-L163 VanDerWaalsContact O-CB 3.31Å; W159-L163 WeakPolarHBondContact O-CB 3.39Å; W159-L163 PolarHBondContact O-N 3.36Å |
| 160 | K | 98 | Very high | 97.8 | Very high | 146 Ų | 146 | 104.2 Ų | 104.2 | 64% | 0.635 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 177 | -176.9 | -179.1 | 176.4 | -174 | 0 | 111.8 | T156 D157 F158 L163 E164 | T156-K160 VanDerWaalsContact O-CB 3.29Å; T156-K160 WeakPolarHBondContact O-CB 3.34Å; T156-K160 PolarHBondContact O-N 2.93Å; D157-K160 PolarHBondContact O-N 2.88Å; F158-K160 VanDerWaalsContact C-N 3.33Å; F158-K160 PolarHBondContact O-N 3.39Å; K160-L163 PolarHBondContact O-N 2.94Å; K160-E164 PolarHBondContact O-N 2.85Å; K160-E164 VanDerWaalsContact O-N 3.1Å |
| 161 | K | 97.7 | Very high | 97.8 | Very high | 143 Ų | 143 | 103 Ų | 103 | 62% | 0.622 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -45.6 | 174.7 | -175.5 | -171 | 170 | -167.9 | 0 | 111.4 | D157 F158 L163 E164 E165 | D157-K161 WeakPolarHBondContact O-CB 3.23Å; D157-K161 PolarHBondContact O-N 3.29Å; F158-K161 PolarHBondContact O-N 2.88Å; K161-L163 VanDerWaalsContact C-N 3.31Å; K161-L163 PolarHBondContact O-N 3.47Å; K161-E164 PolarHBondContact O-N 3.07Å; K161-E165 WeakPolarHBondContact O-CB 3.23Å; K161-E165 PolarHBondContact O-N 3.07Å |
| 162 | S | 97.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 101.2 Ų | 101.2 | 22% | 0.224 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 179.5 | -179.1 | 0 | 0 | 0 | 0 | 112 | F158 W159 E165 I166 | F158-S162 WeakPolarHBondContact O-CB 3.28Å; F158-S162 PolarHBondContact O-N 2.86Å; W159-S162 PolarHBondContact O-N 3.5Å; S162-E165 PolarHBondContact O-N 2.9Å; S162-I166 WeakPolarHBondContact O-CB 3.48Å; S162-I166 WeakPolarHBondContact O-CD1 3.35Å; S162-I166 WeakPolarHBondContact O-CG1 3.45Å; S162-I166 PolarHBondContact O-N 3.11Å |
| 163 | L | 97.9 | Very high | 97.9 | Very high | 121 Ų | 121 | 102.5 Ų | 102.5 | 63% | 0.634 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -43.4 | 174.6 | -178.7 | 62.2 | 0 | 0 | 0 | 112.1 | W159 K160 K161 I166 N167 | W159-L163 VanDerWaalsContact O-CB 3.31Å; W159-L163 WeakPolarHBondContact O-CB 3.39Å; W159-L163 PolarHBondContact O-N 3.36Å; K160-L163 PolarHBondContact O-N 2.94Å; K161-L163 VanDerWaalsContact C-N 3.31Å; K161-L163 PolarHBondContact O-N 3.47Å; L163-I166 PolarHBondContact O-N 2.65Å; L163-N167 WeakPolarHBondContact O-CB 3.46Å; L163-N167 PolarHBondContact O-N 3Å |
| 164 | E | 97.9 | Very high | 97.9 | Very high | 110 Ų | 110 | 103.1 Ų | 103.1 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.2 | -171.3 | 62.1 | -139 | 0 | 0 | 111.4 | K160 K161 I166 N167 I168 | K160-E164 PolarHBondContact O-N 2.85Å; K160-E164 VanDerWaalsContact O-N 3.1Å; K161-E164 PolarHBondContact O-N 3.07Å; E164-I166 PolarHBondContact O-N 2.99Å; E164-N167 PolarHBondContact O-N 3.3Å; E164-I168 HydrophobicContact CG-CD1 4.05Å; E164-I168 WeakPolarHBondContact O-CG1 3.33Å; E164-I168 PolarHBondContact O-N 3.4Å |
| 165 | E | 97.9 | Very high | 97.9 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 177.1 | -170.9 | 174.2 | 154.5 | 0 | 0 | 112 | K161 S162 N169 | K161-E165 WeakPolarHBondContact O-CB 3.23Å; K161-E165 PolarHBondContact O-N 3.07Å; S162-E165 PolarHBondContact O-N 2.9Å; E165-N169 WeakPolarHBondContact O-CB 3.48Å; E165-N169 PolarHBondContact O-N 2.66Å; E165-N169 PolarHBondContact O-ND2 3.36Å; E165-N169 VanDerWaalsContact O-ND2 3.08Å |
| 166 | I | 97.8 | Very high | 97.9 | Very high | 97 Ų | 97 | 102.9 Ų | 102.9 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 173.3 | -71.5 | 164.9 | 0 | 0 | 0 | 111.2 | S162 L163 E164 T170 | S162-I166 WeakPolarHBondContact O-CB 3.48Å; S162-I166 WeakPolarHBondContact O-CD1 3.35Å; S162-I166 WeakPolarHBondContact O-CG1 3.45Å; S162-I166 PolarHBondContact O-N 3.11Å; L163-I166 PolarHBondContact O-N 2.65Å; E164-I166 PolarHBondContact O-N 2.99Å; I166-T170 WeakPolarHBondContact O-CB 3.35Å; I166-T170 PolarHBondContact O-N 3.26Å; I166-T170 PolarHBondContact O-OG1 3.18Å |
| 167 | N | 98.1 | Very high | 97.9 | Very high | 81 Ų | 81 | 101.4 Ų | 101.4 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 177.9 | -173.9 | 70.7 | 0 | 0 | 0 | 111.7 | L163 E164 N169 T170 D171 | L163-N167 WeakPolarHBondContact O-CB 3.46Å; L163-N167 PolarHBondContact O-N 3Å; E164-N167 PolarHBondContact O-N 3.3Å; N167-N169 PolarHBondContact O-N 3.16Å; N167-T170 WeakPolarHBondContact O-CB 3.16Å; N167-T170 PolarHBondContact O-N 3.42Å; N167-T170 VanDerWaalsContact O-N 3.16Å; N167-D171 PolarHBondContact O-N 3.29Å |
| 168 | I | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 103.6 Ų | 103.6 | 42% | 0.415 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.1 | -49.2 | 174.7 | -69.5 | 166.1 | 0 | 0 | 0 | 110.6 | E164 T170 D171 I172 | E164-I168 HydrophobicContact CG-CD1 4.05Å; E164-I168 WeakPolarHBondContact O-CG1 3.33Å; E164-I168 PolarHBondContact O-N 3.4Å; I168-T170 VanDerWaalsContact C-N 3.27Å; I168-T170 PolarHBondContact O-N 2.87Å; I168-D171 PolarHBondContact O-N 2.88Å; I168-I172 HydrophobicContact CG2-CD1 3.8Å; I168-I172 HydrophobicContact CG2-CG1 4.46Å; I168-I172 VanDerWaalsContact O-CG1 3.32Å; I168-I172 WeakPolarHBondContact O-CG1 3.29Å; I168-I172 PolarHBondContact O-N 2.86Å |
| 169 | N | 98.2 | Very high | 98 | Very high | 86 Ų | 86 | 103.6 Ų | 103.6 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -35.1 | 177.3 | -72.6 | -31.4 | 0 | 0 | 0 | 112.3 | E165 N167 F173 | E165-N169 WeakPolarHBondContact O-CB 3.48Å; E165-N169 PolarHBondContact O-N 2.66Å; E165-N169 PolarHBondContact O-ND2 3.36Å; E165-N169 VanDerWaalsContact O-ND2 3.08Å; N167-N169 PolarHBondContact O-N 3.16Å; N169-F173 WeakPolarHBondContact O-CB 3.23Å; N169-F173 PolarHBondContact O-N 2.83Å |
| 170 | T | 98.1 | Very high | 98 | Very high | 74 Ų | 74 | 97.6 Ų | 97.6 | 45% | 0.454 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | I166 N167 I168 K174 | I166-T170 WeakPolarHBondContact O-CB 3.35Å; I166-T170 PolarHBondContact O-N 3.26Å; I166-T170 PolarHBondContact O-OG1 3.18Å; N167-T170 WeakPolarHBondContact O-CB 3.16Å; N167-T170 PolarHBondContact O-N 3.42Å; N167-T170 VanDerWaalsContact O-N 3.16Å; I168-T170 VanDerWaalsContact C-N 3.27Å; I168-T170 PolarHBondContact O-N 2.87Å; T170-K174 WeakPolarHBondContact O-CB 3.48Å; T170-K174 PolarHBondContact O-N 2.76Å |
| 171 | D | 98.1 | Very high | 98 | Very high | 73 Ų | 73 | 96.9 Ų | 96.9 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.2 | -35 | 177.1 | -92.9 | -33.6 | 0 | 0 | 0 | 112.9 | N167 I168 K174 S175 | N167-D171 PolarHBondContact O-N 3.29Å; I168-D171 PolarHBondContact O-N 2.88Å; D171-K174 PolarHBondContact O-N 2.95Å; D171-K174 WeakPolarHBondContact OD1-CD 3.48Å; D171-K174 WeakPolarHBondContact OD1-CE 3.44Å; D171-K174 IonicContact OD1-NZ 3.49Å; D171-K174 PolarHBondContact OD1-NZ 3.2Å; D171-S175 WeakPolarHBondContact O-CB 3.38Å; D171-S175 PolarHBondContact O-N 3.44Å |
| 172 | I | 98.1 | Very high | 98 | Very high | 88 Ų | 88 | 93.5 Ų | 93.5 | 45% | 0.451 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59 | -56.9 | 169.6 | -69.5 | 168 | 0 | 0 | 0 | 109.8 | I168 K174 S175 E176 | I168-I172 HydrophobicContact CG2-CD1 3.8Å; I168-I172 HydrophobicContact CG2-CG1 4.46Å; I168-I172 VanDerWaalsContact O-CG1 3.32Å; I168-I172 WeakPolarHBondContact O-CG1 3.29Å; I168-I172 PolarHBondContact O-N 2.86Å; I172-K174 VanDerWaalsContact C-N 3.29Å; I172-K174 PolarHBondContact O-N 2.87Å; I172-S175 WeakPolarHBondContact O-CA 3.44Å; I172-S175 WeakPolarHBondContact O-CB 3.44Å; I172-S175 PolarHBondContact O-N 2.73Å; I172-S175 PolarHBondContact O-OG 2.88Å; I172-E176 PolarHBondContact O-N 3.29Å |
| 173 | F | 98 | Very high | 98 | Very high | 144 Ų | 144 | 96.7 Ų | 96.7 | 63% | 0.632 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.7 | -40 | 179.9 | 176.9 | -104.4 | 0 | 0 | 0 | 112.5 | N169 S175 E176 A177 | N169-F173 WeakPolarHBondContact O-CB 3.23Å; N169-F173 PolarHBondContact O-N 2.83Å; F173-S175 VanDerWaalsContact C-N 3.32Å; F173-S175 PolarHBondContact O-N 3.03Å; F173-E176 PolarHBondContact O-N 3.41Å; F173-A177 WeakPolarHBondContact O-CB 3.37Å; F173-A177 PolarHBondContact O-N 3.41Å |
| 174 | K | 98.4 | Very high | 98 | Very high | 110 Ų | 110 | 94.4 Ų | 94.4 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -29.2 | 175 | 170.8 | 176.8 | 149.4 | -155.9 | 0 | 113.2 | T170 D171 I172 K178 | T170-K174 WeakPolarHBondContact O-CB 3.48Å; T170-K174 PolarHBondContact O-N 2.76Å; D171-K174 PolarHBondContact O-N 2.95Å; D171-K174 WeakPolarHBondContact OD1-CD 3.48Å; D171-K174 WeakPolarHBondContact OD1-CE 3.44Å; D171-K174 IonicContact OD1-NZ 3.49Å; D171-K174 PolarHBondContact OD1-NZ 3.2Å; I172-K174 VanDerWaalsContact C-N 3.29Å; I172-K174 PolarHBondContact O-N 2.87Å; K174-K178 VanDerWaalsContact O-CG 3.27Å; K174-K178 WeakPolarHBondContact O-CG 3.38Å; K174-K178 PolarHBondContact O-N 2.86Å |
| 175 | S | 97.9 | Very high | 98.1 | Very high | 73 Ų | 73 | 91.7 Ų | 91.7 | 51% | 0.51 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -77.6 | -41.8 | 172.3 | 79.1 | 0 | 0 | 0 | 0 | 111.9 | D171 I172 F173 K178 H179 | D171-S175 WeakPolarHBondContact O-CB 3.38Å; D171-S175 PolarHBondContact O-N 3.44Å; I172-S175 WeakPolarHBondContact O-CA 3.44Å; I172-S175 WeakPolarHBondContact O-CB 3.44Å; I172-S175 PolarHBondContact O-N 2.73Å; I172-S175 PolarHBondContact O-OG 2.88Å; F173-S175 VanDerWaalsContact C-N 3.32Å; F173-S175 PolarHBondContact O-N 3.03Å; S175-K178 PolarHBondContact O-N 2.96Å; S175-H179 PolarHBondContact O-N 3.39Å |
| 176 | E | 97.9 | Very high | 98.1 | Very high | 123 Ų | 123 | 91.1 Ų | 91.1 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.8 | -47.3 | 178.6 | -175.4 | 177 | -169.2 | 0 | 0 | 111.4 | I172 F173 K178 H179 A180 | I172-E176 PolarHBondContact O-N 3.29Å; F173-E176 PolarHBondContact O-N 3.41Å; E176-K178 VanDerWaalsContact C-N 3.29Å; E176-K178 PolarHBondContact O-N 3.11Å; E176-H179 WeakPolarHBondContact O-CB 3.37Å; E176-H179 PolarHBondContact O-N 3.03Å; E176-H179 VanDerWaalsContact O-N 3.08Å; E176-A180 WeakPolarHBondContact O-CB 2.73Å; E176-A180 PolarHBondContact O-N 3.33Å |
| 177 | A | 98 | Very high | 98.1 | Very high | 46 Ų | 46 | 92 Ų | 92 | 38% | 0.38 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -37.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F173 H181 | F173-A177 WeakPolarHBondContact O-CB 3.37Å; F173-A177 PolarHBondContact O-N 3.41Å; A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 3.16Å |
| 178 | K | 97.9 | Very high | 98.1 | Very high | 144 Ų | 144 | 92.8 Ų | 92.8 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.1 | -41.8 | 172.4 | -79.9 | 178.4 | 176.9 | -171.7 | 0 | 112.4 | K174 S175 E176 S182 | K174-K178 VanDerWaalsContact O-CG 3.27Å; K174-K178 WeakPolarHBondContact O-CG 3.38Å; K174-K178 PolarHBondContact O-N 2.86Å; S175-K178 PolarHBondContact O-N 2.96Å; E176-K178 VanDerWaalsContact C-N 3.29Å; E176-K178 PolarHBondContact O-N 3.11Å; K178-S182 WeakPolarHBondContact O-CB 3.47Å; K178-S182 PolarHBondContact O-N 2.87Å |
| 179 | H | 98 | Very high | 98.1 | Very high | 129 Ų | 129 | 93.2 Ų | 93.2 | 60% | 0.597 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -50.7 | 178.1 | -177.2 | 72.2 | 0 | 0 | 0 | 111.2 | S175 E176 H181 S182 Q183 | S175-H179 PolarHBondContact O-N 3.39Å; E176-H179 WeakPolarHBondContact O-CB 3.37Å; E176-H179 PolarHBondContact O-N 3.03Å; E176-H179 VanDerWaalsContact O-N 3.08Å; H179-H181 PolarHBondContact O-N 3.39Å; H179-S182 WeakPolarHBondContact O-CB 3.25Å; H179-S182 PolarHBondContact O-N 2.82Å; H179-Q183 WeakPolarHBondContact O-CB 3.41Å; H179-Q183 PolarHBondContact O-N 2.98Å |
| 180 | A | 97.8 | Very high | 98.1 | Very high | 43 Ų | 43 | 91.9 Ų | 91.9 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E176 S182 Q183 V184 | E176-A180 WeakPolarHBondContact O-CB 2.73Å; E176-A180 PolarHBondContact O-N 3.33Å; A180-S182 PolarHBondContact O-N 3.31Å; A180-Q183 PolarHBondContact O-N 3.4Å; A180-V184 WeakPolarHBondContact O-CB 3.45Å; A180-V184 VanDerWaalsContact O-CG2 3.28Å; A180-V184 WeakPolarHBondContact O-CG2 3.33Å; A180-V184 PolarHBondContact O-N 3.19Å |
| 181 | H | 98.2 | Very high | 98.1 | Very high | 132 Ų | 132 | 90.5 Ų | 90.5 | 61% | 0.611 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.4 | -47.9 | 175 | -179.7 | 57 | 0 | 0 | 0 | 111.8 | A177 H179 Q183 V184 T185 | A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 3.16Å; H179-H181 PolarHBondContact O-N 3.39Å; H181-Q183 PolarHBondContact O-N 2.83Å; H181-V184 PolarHBondContact O-N 2.92Å; H181-T185 WeakPolarHBondContact O-CB 3.47Å; H181-T185 PolarHBondContact O-N 2.67Å; H181-T185 PolarHBondContact O-OG1 2.93Å; H181-T185 VanDerWaalsContact O-OG1 3.1Å |
| 182 | S | 98.1 | Very high | 98 | Very high | 71 Ų | 71 | 91.4 Ų | 91.4 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 176.9 | -171.5 | 0 | 0 | 0 | 0 | 112.3 | K178 H179 A180 T185 V186 | K178-S182 WeakPolarHBondContact O-CB 3.47Å; K178-S182 PolarHBondContact O-N 2.87Å; H179-S182 WeakPolarHBondContact O-CB 3.25Å; H179-S182 PolarHBondContact O-N 2.82Å; A180-S182 PolarHBondContact O-N 3.31Å; S182-T185 PolarHBondContact O-N 2.84Å; S182-V186 WeakPolarHBondContact O-CG2 3.22Å; S182-V186 PolarHBondContact O-N 3.12Å |
| 183 | Q | 98.3 | Very high | 98 | Very high | 100 Ų | 100 | 93.1 Ų | 93.1 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 178.2 | -175.5 | -178.3 | 9.1 | 0 | 0 | 112 | H179 A180 H181 V186 Q187 | H179-Q183 WeakPolarHBondContact O-CB 3.41Å; H179-Q183 PolarHBondContact O-N 2.98Å; A180-Q183 PolarHBondContact O-N 3.4Å; H181-Q183 PolarHBondContact O-N 2.83Å; Q183-V186 PolarHBondContact O-N 2.93Å; Q183-Q187 WeakPolarHBondContact O-CG 3.14Å; Q183-Q187 PolarHBondContact O-N 3.04Å |
| 184 | V | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 91.9 Ų | 91.9 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 177.5 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | A180 H181 V186 Q187 I188 | A180-V184 WeakPolarHBondContact O-CB 3.45Å; A180-V184 VanDerWaalsContact O-CG2 3.28Å; A180-V184 WeakPolarHBondContact O-CG2 3.33Å; A180-V184 PolarHBondContact O-N 3.19Å; H181-V184 PolarHBondContact O-N 2.92Å; V184-V186 PolarHBondContact O-N 3.14Å; V184-Q187 PolarHBondContact O-N 3.36Å; V184-I188 HydrophobicContact CG1-CD1 3.66Å; V184-I188 HydrophobicContact CG1-CG1 4.31Å; V184-I188 WeakPolarHBondContact O-CB 3.46Å; V184-I188 VanDerWaalsContact O-CG1 3.29Å; V184-I188 WeakPolarHBondContact O-CG1 3.37Å; V184-I188 PolarHBondContact O-N 2.68Å |
| 185 | T | 98 | Very high | 98 | Very high | 52 Ų | 52 | 91.6 Ų | 91.6 | 32% | 0.319 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 174.7 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | H181 S182 I188 N189 | H181-T185 WeakPolarHBondContact O-CB 3.47Å; H181-T185 PolarHBondContact O-N 2.67Å; H181-T185 PolarHBondContact O-OG1 2.93Å; H181-T185 VanDerWaalsContact O-OG1 3.1Å; S182-T185 PolarHBondContact O-N 2.84Å; T185-I188 PolarHBondContact O-N 2.93Å; T185-N189 WeakPolarHBondContact O-CB 3.5Å; T185-N189 PolarHBondContact O-N 3.06Å; T185-N189 PolarHBondContact O-ND2 2.89Å; T185-N189 PolarHBondContact O-OD1 2.6Å |
| 186 | V | 98 | Very high | 98.1 | Very high | 93 Ų | 93 | 93.9 Ų | 93.9 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | S182 Q183 V184 N189 S190 | S182-V186 WeakPolarHBondContact O-CG2 3.22Å; S182-V186 PolarHBondContact O-N 3.12Å; Q183-V186 PolarHBondContact O-N 2.93Å; V184-V186 PolarHBondContact O-N 3.14Å; V186-N189 PolarHBondContact O-N 3.42Å; V186-S190 PolarHBondContact O-N 3.4Å |
| 187 | Q | 98.1 | Very high | 98.1 | Very high | 117 Ų | 117 | 92.1 Ų | 92.1 | 55% | 0.547 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 176.8 | -72.9 | 179.5 | -4.4 | 0 | 0 | 112.5 | Q183 V184 S190 A191 | Q183-Q187 WeakPolarHBondContact O-CG 3.14Å; Q183-Q187 PolarHBondContact O-N 3.04Å; V184-Q187 PolarHBondContact O-N 3.36Å; Q187-S190 PolarHBondContact O-N 3.44Å; Q187-A191 WeakPolarHBondContact O-CB 3.33Å; Q187-A191 PolarHBondContact O-N 3.05Å |
| 188 | I | 98.2 | Very high | 98.1 | Very high | 97 Ų | 97 | 95.3 Ų | 95.3 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 175.5 | -71.3 | 169.4 | 0 | 0 | 0 | 110.6 | V184 T185 S190 A191 E192 | V184-I188 HydrophobicContact CG1-CD1 3.66Å; V184-I188 HydrophobicContact CG1-CG1 4.31Å; V184-I188 WeakPolarHBondContact O-CB 3.46Å; V184-I188 VanDerWaalsContact O-CG1 3.29Å; V184-I188 WeakPolarHBondContact O-CG1 3.37Å; V184-I188 PolarHBondContact O-N 2.68Å; T185-I188 PolarHBondContact O-N 2.93Å; I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 2.85Å; I188-A191 PolarHBondContact O-N 3.16Å; I188-E192 WeakPolarHBondContact O-CB 3.44Å; I188-E192 PolarHBondContact O-N 3.17Å |
| 189 | N | 98.1 | Very high | 98.1 | Very high | 89 Ų | 89 | 92.6 Ų | 92.6 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 179.1 | -68.5 | -9.6 | 0 | 0 | 0 | 112.1 | T185 V186 Q193 | T185-N189 WeakPolarHBondContact O-CB 3.5Å; T185-N189 PolarHBondContact O-N 3.06Å; T185-N189 PolarHBondContact O-ND2 2.89Å; T185-N189 PolarHBondContact O-OD1 2.6Å; V186-N189 PolarHBondContact O-N 3.42Å; N189-Q193 PolarHBondContact O-N 3.32Å |
| 190 | S | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 92.2 Ų | 92.2 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -47.3 | 175.7 | -162.4 | 0 | 0 | 0 | 0 | 111.5 | V186 Q187 I188 E192 Q193 E194 | V186-S190 PolarHBondContact O-N 3.4Å; Q187-S190 PolarHBondContact O-N 3.44Å; I188-S190 VanDerWaalsContact C-N 3.32Å; I188-S190 PolarHBondContact O-N 2.85Å; S190-E192 VanDerWaalsContact C-N 3.34Å; S190-E192 PolarHBondContact O-N 3.45Å; S190-Q193 PolarHBondContact O-N 3.43Å; S190-E194 PolarHBondContact O-N 3.08Å |
| 191 | A | 97.8 | Very high | 98.1 | Very high | 45 Ų | 45 | 99.2 Ų | 99.2 | 37% | 0.372 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q187 I188 Q193 E194 I195 | Q187-A191 WeakPolarHBondContact O-CB 3.33Å; Q187-A191 PolarHBondContact O-N 3.05Å; I188-A191 PolarHBondContact O-N 3.16Å; A191-Q193 VanDerWaalsContact C-N 3.33Å; A191-Q193 PolarHBondContact O-N 3.07Å; A191-E194 PolarHBondContact O-N 2.72Å; A191-I195 WeakPolarHBondContact O-CB 3.42Å; A191-I195 WeakPolarHBondContact O-CD1 3.32Å; A191-I195 WeakPolarHBondContact O-CG1 3.2Å; A191-I195 PolarHBondContact O-N 3.26Å |
| 192 | E | 97.9 | Very high | 98.1 | Very high | 92 Ų | 92 | 98.3 Ų | 98.3 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 175.4 | -162.9 | -167.9 | 142.1 | 0 | 0 | 111.8 | I188 S190 K196 | I188-E192 WeakPolarHBondContact O-CB 3.44Å; I188-E192 PolarHBondContact O-N 3.17Å; S190-E192 VanDerWaalsContact C-N 3.34Å; S190-E192 PolarHBondContact O-N 3.45Å; E192-K196 WeakPolarHBondContact O-CD 3.37Å; E192-K196 VanDerWaalsContact O-CG 3.29Å; E192-K196 WeakPolarHBondContact O-CG 3.47Å; E192-K196 PolarHBondContact O-N 2.92Å; E192-K196 WeakPolarHBondContact OE1-CE 3.41Å; E192-K196 IonicContact OE1-NZ 2.69Å; E192-K196 PolarHBondContact OE1-NZ 2.96Å |
| 193 | Q | 97.9 | Very high | 98.1 | Very high | 125 Ų | 125 | 100.9 Ų | 100.9 | 58% | 0.584 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.9 | -42.8 | 173.8 | -175.9 | 173.8 | -8.7 | 0 | 0 | 112.1 | N189 S190 A191 K196 L197 | N189-Q193 PolarHBondContact O-N 3.32Å; S190-Q193 PolarHBondContact O-N 3.43Å; A191-Q193 VanDerWaalsContact C-N 3.33Å; A191-Q193 PolarHBondContact O-N 3.07Å; Q193-K196 PolarHBondContact O-N 3.21Å; Q193-L197 HydrophobicContact CG-CD1 4.36Å; Q193-L197 WeakPolarHBondContact O-CG 3.45Å; Q193-L197 PolarHBondContact O-N 3.34Å |
| 194 | E | 98.2 | Very high | 98.1 | Very high | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 174.8 | -73.5 | 177.4 | -164.7 | 0 | 0 | 111.9 | S190 A191 K196 L197 L198 | S190-E194 PolarHBondContact O-N 3.08Å; A191-E194 PolarHBondContact O-N 2.72Å; E194-K196 VanDerWaalsContact C-N 3.33Å; E194-K196 PolarHBondContact O-N 3.07Å; E194-L197 PolarHBondContact O-N 2.86Å; E194-L198 WeakPolarHBondContact O-CB 3.28Å; E194-L198 VanDerWaalsContact O-CG 3.31Å; E194-L198 WeakPolarHBondContact O-CG 3.38Å; E194-L198 PolarHBondContact O-N 2.88Å |
| 195 | I | 98.1 | Very high | 98.1 | Very high | 104 Ų | 104 | 102.4 Ų | 102.4 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 175.5 | -72.1 | 165 | 0 | 0 | 0 | 111.3 | A191 L198 T199 | A191-I195 WeakPolarHBondContact O-CB 3.42Å; A191-I195 WeakPolarHBondContact O-CD1 3.32Å; A191-I195 WeakPolarHBondContact O-CG1 3.2Å; A191-I195 PolarHBondContact O-N 3.26Å; I195-L198 PolarHBondContact O-N 3.37Å; I195-T199 WeakPolarHBondContact O-CB 3.2Å; I195-T199 PolarHBondContact O-N 3.44Å; I195-T199 PolarHBondContact O-OG1 3.46Å |
| 196 | K | 98.2 | Very high | 98.1 | Very high | 121 Ų | 121 | 105.6 Ų | 105.6 | 53% | 0.526 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 174.3 | -74.5 | 164.3 | -174.1 | 167.7 | 0 | 111.7 | E192 Q193 E194 L198 T199 E200 | E192-K196 WeakPolarHBondContact O-CD 3.37Å; E192-K196 VanDerWaalsContact O-CG 3.29Å; E192-K196 WeakPolarHBondContact O-CG 3.47Å; E192-K196 PolarHBondContact O-N 2.92Å; E192-K196 WeakPolarHBondContact OE1-CE 3.41Å; E192-K196 IonicContact OE1-NZ 2.69Å; E192-K196 PolarHBondContact OE1-NZ 2.96Å; Q193-K196 PolarHBondContact O-N 3.21Å; E194-K196 VanDerWaalsContact C-N 3.33Å; E194-K196 PolarHBondContact O-N 3.07Å; K196-L198 VanDerWaalsContact C-N 3.33Å; K196-L198 PolarHBondContact O-N 3.4Å; K196-T199 WeakPolarHBondContact O-CB 3.16Å; K196-T199 PolarHBondContact O-N 3.48Å; K196-E200 PolarHBondContact O-N 3.46Å |
| 197 | L | 98.3 | Very high | 98.1 | Very high | 86 Ų | 86 | 105 Ų | 105 | 45% | 0.45 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -35.6 | 177.8 | -69.9 | 168.8 | 0 | 0 | 0 | 112.7 | Q193 E194 R201 | Q193-L197 HydrophobicContact CG-CD1 4.36Å; Q193-L197 WeakPolarHBondContact O-CG 3.45Å; Q193-L197 PolarHBondContact O-N 3.34Å; E194-L197 PolarHBondContact O-N 2.86Å; L197-R201 WeakPolarHBondContact O-CB 3.48Å; L197-R201 VanDerWaalsContact O-CG 3.32Å; L197-R201 WeakPolarHBondContact O-CG 3.5Å; L197-R201 PolarHBondContact O-N 3.1Å; L197-R201 VanDerWaalsContact O-N 3.08Å |
| 198 | L | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 101.9 Ų | 101.9 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.3 | -38.4 | 173.2 | -74.7 | 167 | 0 | 0 | 0 | 111.9 | E194 I195 K196 L202 | E194-L198 WeakPolarHBondContact O-CB 3.28Å; E194-L198 VanDerWaalsContact O-CG 3.31Å; E194-L198 WeakPolarHBondContact O-CG 3.38Å; E194-L198 PolarHBondContact O-N 2.88Å; I195-L198 PolarHBondContact O-N 3.37Å; K196-L198 VanDerWaalsContact C-N 3.33Å; K196-L198 PolarHBondContact O-N 3.4Å; L198-L202 VanDerWaalsContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.32Å; L198-L202 PolarHBondContact O-N 3.27Å |
| 199 | T | 98.2 | Very high | 98.1 | Very high | 87 Ų | 87 | 100.2 Ų | 100.2 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 177.5 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | I195 K196 L202 K203 | I195-T199 WeakPolarHBondContact O-CB 3.2Å; I195-T199 PolarHBondContact O-N 3.44Å; I195-T199 PolarHBondContact O-OG1 3.46Å; K196-T199 WeakPolarHBondContact O-CB 3.16Å; K196-T199 PolarHBondContact O-N 3.48Å; T199-L202 PolarHBondContact O-N 2.96Å; T199-K203 PolarHBondContact O-N 3.02Å |
| 200 | E | 98.3 | Very high | 98.1 | Very high | 121 Ų | 121 | 99.1 Ų | 99.1 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -49.7 | 174.1 | -174.5 | 169.6 | -142.7 | 0 | 0 | 111.1 | K196 L202 K203 D204 | K196-E200 PolarHBondContact O-N 3.46Å; E200-L202 VanDerWaalsContact C-N 3.35Å; E200-L202 PolarHBondContact O-N 3.35Å; E200-K203 WeakPolarHBondContact O-CB 3.4Å; E200-K203 PolarHBondContact O-N 3.39Å; E200-K203 VanDerWaalsContact O-N 3.14Å; E200-D204 PolarHBondContact O-N 2.96Å |
| 201 | R | 98.3 | Very high | 98.1 | Very high | 189 Ų | 189 | 104.9 Ų | 104.9 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -34.5 | 176.9 | -75.7 | 177.9 | 135.6 | 167.6 | -2.8 | 114.1 | L197 K203 L205 | L197-R201 WeakPolarHBondContact O-CB 3.48Å; L197-R201 VanDerWaalsContact O-CG 3.32Å; L197-R201 WeakPolarHBondContact O-CG 3.5Å; L197-R201 PolarHBondContact O-N 3.1Å; L197-R201 VanDerWaalsContact O-N 3.08Å; R201-K203 VanDerWaalsContact C-N 3.33Å; R201-L205 WeakPolarHBondContact O-CB 3.29Å; R201-L205 PolarHBondContact O-N 3.23Å |
| 202 | L | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 107.4 Ų | 107.4 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.1 | -40.9 | 174.3 | 179.9 | 61.8 | 0 | 0 | 0 | 110.7 | L198 T199 E200 L205 E206 | L198-L202 VanDerWaalsContact O-CB 3.28Å; L198-L202 WeakPolarHBondContact O-CB 3.32Å; L198-L202 PolarHBondContact O-N 3.27Å; T199-L202 PolarHBondContact O-N 2.96Å; E200-L202 VanDerWaalsContact C-N 3.35Å; E200-L202 PolarHBondContact O-N 3.35Å; L202-L205 PolarHBondContact O-N 3Å; L202-E206 PolarHBondContact O-N 3.46Å |
| 203 | K | 98.2 | Very high | 98.1 | Very high | 125 Ų | 125 | 108 Ų | 108 | 54% | 0.543 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 176 | -170.7 | -173.9 | 173.9 | -169.1 | 0 | 112.2 | T199 E200 R201 L205 E206 D207 | T199-K203 PolarHBondContact O-N 3.02Å; E200-K203 WeakPolarHBondContact O-CB 3.4Å; E200-K203 PolarHBondContact O-N 3.39Å; E200-K203 VanDerWaalsContact O-N 3.14Å; R201-K203 VanDerWaalsContact C-N 3.33Å; K203-L205 PolarHBondContact O-N 2.88Å; K203-E206 PolarHBondContact O-N 2.96Å; K203-E206 VanDerWaalsContact O-N 3.12Å; K203-D207 WeakPolarHBondContact CE-OD2 3.38Å; K203-D207 PolarHBondContact O-N 3.37Å |
| 204 | D | 98.2 | Very high | 98 | Very high | 101 Ų | 101 | 109.6 Ų | 109.6 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58 | -38.5 | 174.3 | -77.1 | -17.7 | 0 | 0 | 0 | 111.6 | E200 S208 | E200-D204 PolarHBondContact O-N 2.96Å; D204-S208 WeakPolarHBondContact O-CB 3.41Å; D204-S208 PolarHBondContact O-N 3.39Å; D204-S208 PolarHBondContact O-OG 3.5Å |
| 205 | L | 98.2 | Very high | 98 | Very high | 103 Ų | 103 | 107.4 Ų | 107.4 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 175.5 | -175.9 | 61.8 | 0 | 0 | 0 | 112.1 | R201 L202 K203 S208 T209 | R201-L205 WeakPolarHBondContact O-CB 3.29Å; R201-L205 PolarHBondContact O-N 3.23Å; L202-L205 PolarHBondContact O-N 3Å; K203-L205 PolarHBondContact O-N 2.88Å; L205-S208 WeakPolarHBondContact CA-OG 3.44Å; L205-S208 PolarHBondContact O-OG 3.28Å; L205-T209 WeakPolarHBondContact O-CB 3.46Å; L205-T209 PolarHBondContact O-N 3Å; L205-T209 PolarHBondContact O-OG1 3.37Å |
| 206 | E | 98.2 | Very high | 98 | Very high | 119 Ų | 119 | 106.1 Ų | 106.1 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -53.4 | 174.4 | -175.9 | 177.5 | -169.6 | 0 | 0 | 111.5 | L202 K203 S208 T209 L210 | L202-E206 PolarHBondContact O-N 3.46Å; K203-E206 PolarHBondContact O-N 2.96Å; K203-E206 VanDerWaalsContact O-N 3.12Å; E206-S208 VanDerWaalsContact C-N 3.35Å; E206-S208 PolarHBondContact O-N 2.9Å; E206-T209 PolarHBondContact O-N 3.32Å; E206-L210 HydrophobicContact CG-CD1 4.07Å; E206-L210 WeakPolarHBondContact O-CB 3.4Å; E206-L210 WeakPolarHBondContact O-CG 3.31Å; E206-L210 PolarHBondContact O-N 2.89Å |
| 207 | D | 98.2 | Very high | 98 | Very high | 81 Ų | 81 | 105.7 Ų | 105.7 | 43% | 0.433 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | -179.1 | -87.7 | -40.5 | 0 | 0 | 0 | 111.9 | K203 R211 | K203-D207 WeakPolarHBondContact CE-OD2 3.38Å; K203-D207 PolarHBondContact O-N 3.37Å; D207-R211 WeakPolarHBondContact O-CB 3.42Å; D207-R211 PolarHBondContact O-N 2.87Å |
| 208 | S | 97.9 | Very high | 97.9 | Very high | 51 Ų | 51 | 106.8 Ų | 106.8 | 36% | 0.357 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.2 | -37.5 | 174.4 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | D204 L205 E206 R211 N212 | D204-S208 WeakPolarHBondContact O-CB 3.41Å; D204-S208 PolarHBondContact O-N 3.39Å; D204-S208 PolarHBondContact O-OG 3.5Å; L205-S208 WeakPolarHBondContact CA-OG 3.44Å; L205-S208 PolarHBondContact O-OG 3.28Å; E206-S208 VanDerWaalsContact C-N 3.35Å; E206-S208 PolarHBondContact O-N 2.9Å; S208-R211 PolarHBondContact O-N 3.48Å; S208-N212 WeakPolarHBondContact O-CB 3.42Å; S208-N212 VanDerWaalsContact O-CG 3.23Å; S208-N212 PolarHBondContact O-N 2.94Å |
| 209 | T | 97.7 | Very high | 97.9 | Very high | 62 Ų | 62 | 105 Ų | 105 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 174.3 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | L205 E206 R211 N212 I213 | L205-T209 WeakPolarHBondContact O-CB 3.46Å; L205-T209 PolarHBondContact O-N 3Å; L205-T209 PolarHBondContact O-OG1 3.37Å; E206-T209 PolarHBondContact O-N 3.32Å; T209-R211 VanDerWaalsContact C-N 3.31Å; T209-R211 PolarHBondContact O-N 3.48Å; T209-N212 PolarHBondContact O-N 3.33Å; T209-I213 HydrophobicContact CG2-CD1 3.83Å; T209-I213 HydrophobicContact CG2-CG1 4.43Å; T209-I213 WeakPolarHBondContact O-CG1 3.21Å; T209-I213 PolarHBondContact O-N 3.34Å |
| 210 | L | 98.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 107 Ų | 107 | 35% | 0.346 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 174.4 | -71.5 | 172.8 | 0 | 0 | 0 | 112 | E206 R214 | E206-L210 HydrophobicContact CG-CD1 4.07Å; E206-L210 WeakPolarHBondContact O-CB 3.4Å; E206-L210 WeakPolarHBondContact O-CG 3.31Å; E206-L210 PolarHBondContact O-N 2.89Å; L210-R214 VanDerWaalsContact O-CG 3.25Å; L210-R214 WeakPolarHBondContact O-CG 3.29Å; L210-R214 PolarHBondContact O-N 2.83Å; L210-R214 VanDerWaalsContact O-N 3.16Å |
| 211 | R | 97.4 | Very high | 97.8 | Very high | 180 Ų | 180 | 105.8 Ų | 105.8 | 68% | 0.679 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.8 | -43.7 | 173 | -177.3 | 177.9 | 177.5 | 177.3 | -1.1 | 112 | D207 S208 T209 R214 T215 | D207-R211 WeakPolarHBondContact O-CB 3.42Å; D207-R211 PolarHBondContact O-N 2.87Å; S208-R211 PolarHBondContact O-N 3.48Å; T209-R211 VanDerWaalsContact C-N 3.31Å; T209-R211 PolarHBondContact O-N 3.48Å; R211-R214 PolarHBondContact O-N 2.96Å; R211-T215 WeakPolarHBondContact O-CB 3.4Å; R211-T215 PolarHBondContact O-N 3.46Å; R211-T215 PolarHBondContact O-OG1 3.08Å |
| 212 | N | 97.9 | Very high | 97.8 | Very high | 98 Ų | 98 | 100.7 Ų | 100.7 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 178.3 | -72.8 | -12.4 | 0 | 0 | 0 | 111.2 | S208 T209 R214 T215 V216 | S208-N212 WeakPolarHBondContact O-CB 3.42Å; S208-N212 VanDerWaalsContact O-CG 3.23Å; S208-N212 PolarHBondContact O-N 2.94Å; T209-N212 PolarHBondContact O-N 3.33Å; N212-R214 PolarHBondContact O-N 2.81Å; N212-T215 WeakPolarHBondContact O-CB 3.46Å; N212-T215 PolarHBondContact O-N 2.65Å; N212-V216 WeakPolarHBondContact O-CG2 3.39Å; N212-V216 PolarHBondContact O-N 2.92Å |
| 213 | I | 97.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 98.2 Ų | 98.2 | 53% | 0.533 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 176.5 | -69.3 | 167 | 0 | 0 | 0 | 111.3 | T209 T215 K217 | T209-I213 HydrophobicContact CG2-CD1 3.83Å; T209-I213 HydrophobicContact CG2-CG1 4.43Å; T209-I213 WeakPolarHBondContact O-CG1 3.21Å; T209-I213 PolarHBondContact O-N 3.34Å; I213-T215 VanDerWaalsContact C-N 3.29Å; I213-T215 PolarHBondContact O-N 3.23Å; I213-K217 WeakPolarHBondContact O-CB 3.17Å; I213-K217 PolarHBondContact O-N 3.45Å |
| 214 | R | 97 | Very high | 97.7 | Very high | 158 Ų | 158 | 97.5 Ų | 97.5 | 60% | 0.596 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62 | -36.2 | 175.1 | -68.6 | 171.9 | -162.5 | 123.1 | -1.3 | 112.6 | L210 R211 N212 R218 | L210-R214 VanDerWaalsContact O-CG 3.25Å; L210-R214 WeakPolarHBondContact O-CG 3.29Å; L210-R214 PolarHBondContact O-N 2.83Å; L210-R214 VanDerWaalsContact O-N 3.16Å; R211-R214 PolarHBondContact O-N 2.96Å; N212-R214 PolarHBondContact O-N 2.81Å; R214-R218 PolarHBondContact O-N 2.96Å |
| 215 | T | 97.6 | Very high | 97.7 | Very high | 72 Ų | 72 | 97.7 Ų | 97.7 | 44% | 0.442 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.1 | -44.4 | -178.1 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | R211 N212 I213 Q219 | R211-T215 WeakPolarHBondContact O-CB 3.4Å; R211-T215 PolarHBondContact O-N 3.46Å; R211-T215 PolarHBondContact O-OG1 3.08Å; N212-T215 WeakPolarHBondContact O-CB 3.46Å; N212-T215 PolarHBondContact O-N 2.65Å; I213-T215 VanDerWaalsContact C-N 3.29Å; I213-T215 PolarHBondContact O-N 3.23Å; T215-Q219 PolarHBondContact O-N 2.95Å; T215-Q219 VanDerWaalsContact O-N 3.11Å |
| 216 | V | 97.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 100 Ų | 100 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.6 | -49.6 | 173.9 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | N212 R218 Q219 E220 | N212-V216 WeakPolarHBondContact O-CG2 3.39Å; N212-V216 PolarHBondContact O-N 2.92Å; V216-R218 VanDerWaalsContact C-N 3.33Å; V216-R218 PolarHBondContact O-N 2.95Å; V216-Q219 CarbonylContact O-C 3.6Å; V216-Q219 WeakPolarHBondContact O-CA 3.36Å; V216-Q219 WeakPolarHBondContact O-CB 3.44Å; V216-Q219 PolarHBondContact O-N 3.28Å; V216-E220 HydrophobicContact CG1-CG 4.12Å; V216-E220 WeakPolarHBondContact O-CG 3.46Å; V216-E220 PolarHBondContact O-N 2.96Å |
| 217 | K | 97.8 | Very high | 97.6 | Very high | 112 Ų | 112 | 99 Ų | 99 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -54.2 | -47.1 | 178 | 174.4 | 173 | 171.3 | 175.3 | 0 | 112.3 | I213 Q219 E220 E221 | I213-K217 WeakPolarHBondContact O-CB 3.17Å; I213-K217 PolarHBondContact O-N 3.45Å; K217-Q219 VanDerWaalsContact C-N 3.29Å; K217-Q219 PolarHBondContact O-N 3.49Å; K217-E220 PolarHBondContact O-N 2.9Å; K217-E221 WeakPolarHBondContact CE-OE1 3.21Å; K217-E221 WeakPolarHBondContact CE-OE2 3.5Å; K217-E221 HydrophobicContact CG-CG 4.43Å; K217-E221 IonicContact NZ-OE1 3.51Å; K217-E221 PolarHBondContact NZ-OE1 2.7Å; K217-E221 WeakPolarHBondContact O-CB 3.36Å; K217-E221 WeakPolarHBondContact O-CG 3.5Å; K217-E221 PolarHBondContact O-N 2.71Å |
| 218 | R | 96.7 | Very high | 97.6 | Very high | 109 Ų | 109 | 101 Ų | 101 | 41% | 0.411 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 176.7 | -176.7 | -146.8 | 61.8 | 96.9 | 18.5 | 111.7 | R214 V216 E222 | R214-R218 PolarHBondContact O-N 2.96Å; V216-R218 VanDerWaalsContact C-N 3.33Å; V216-R218 PolarHBondContact O-N 2.95Å; R218-E222 IonicContact CZ-OE1 3.83Å; R218-E222 IonicContact CZ-OE2 2.66Å; R218-E222 VanDerWaalsContact CZ-OE2 3.32Å; R218-E222 IonicContact NE-OE1 3.32Å; R218-E222 IonicContact NH1-OE1 3.07Å; R218-E222 PolarHBondContact NH1-OE1 3.16Å; R218-E222 IonicContact NH1-OE2 3.36Å; R218-E222 PolarHBondContact NH1-OE2 3.49Å; R218-E222 IonicContact NH2-OE2 3.79Å; R218-E222 WeakPolarHBondContact O-CB 3.4Å; R218-E222 WeakPolarHBondContact O-CG 3.43Å; R218-E222 PolarHBondContact O-N 3.35Å |
| 219 | Q | 97.7 | Very high | 97.5 | Very high | 76 Ų | 76 | 105.9 Ų | 105.9 | 36% | 0.355 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 175.9 | -171.6 | 62.8 | 42.5 | 0 | 0 | 111.7 | T215 V216 K217 E222 D223 | T215-Q219 PolarHBondContact O-N 2.95Å; T215-Q219 VanDerWaalsContact O-N 3.11Å; V216-Q219 CarbonylContact O-C 3.6Å; V216-Q219 WeakPolarHBondContact O-CA 3.36Å; V216-Q219 WeakPolarHBondContact O-CB 3.44Å; V216-Q219 PolarHBondContact O-N 3.28Å; K217-Q219 VanDerWaalsContact C-N 3.29Å; K217-Q219 PolarHBondContact O-N 3.49Å; Q219-E222 PolarHBondContact O-N 2.91Å; Q219-D223 PolarHBondContact NE2-OD2 3.36Å; Q219-D223 WeakPolarHBondContact O-CB 3.28Å; Q219-D223 PolarHBondContact O-N 2.9Å |
| 220 | E | 97.4 | Very high | 97.5 | Very high | 128 Ų | 128 | 108 Ų | 108 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 175.1 | -68.7 | 172.6 | 153.7 | 0 | 0 | 111.7 | V216 K217 L224 | V216-E220 HydrophobicContact CG1-CG 4.12Å; V216-E220 WeakPolarHBondContact O-CG 3.46Å; V216-E220 PolarHBondContact O-N 2.96Å; K217-E220 PolarHBondContact O-N 2.9Å; E220-L224 WeakPolarHBondContact O-CB 3.27Å; E220-L224 PolarHBondContact O-N 2.96Å |
| 221 | E | 97.8 | Very high | 97.5 | Very high | 96 Ų | 96 | 110 Ų | 110 | 45% | 0.449 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 173.7 | -74 | 173.7 | 149.2 | 0 | 0 | 111.8 | K217 L225 | K217-E221 WeakPolarHBondContact CE-OE1 3.21Å; K217-E221 WeakPolarHBondContact CE-OE2 3.5Å; K217-E221 HydrophobicContact CG-CG 4.43Å; K217-E221 IonicContact NZ-OE1 3.51Å; K217-E221 PolarHBondContact NZ-OE1 2.7Å; K217-E221 WeakPolarHBondContact O-CB 3.36Å; K217-E221 WeakPolarHBondContact O-CG 3.5Å; K217-E221 PolarHBondContact O-N 2.71Å; E221-L225 VanDerWaalsContact O-CG 3.29Å; E221-L225 WeakPolarHBondContact O-CG 3.45Å; E221-L225 PolarHBondContact O-N 3.18Å; E221-L225 VanDerWaalsContact O-N 3.07Å |
| 222 | E | 97.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 102.8 Ų | 102.8 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.3 | -38.7 | 177.7 | -77.7 | 171.7 | -163.3 | 0 | 0 | 113.5 | R218 Q219 R226 | R218-E222 IonicContact CZ-OE1 3.83Å; R218-E222 IonicContact CZ-OE2 2.66Å; R218-E222 VanDerWaalsContact CZ-OE2 3.32Å; R218-E222 IonicContact NE-OE1 3.32Å; R218-E222 IonicContact NH1-OE1 3.07Å; R218-E222 PolarHBondContact NH1-OE1 3.16Å; R218-E222 IonicContact NH1-OE2 3.36Å; R218-E222 PolarHBondContact NH1-OE2 3.49Å; R218-E222 IonicContact NH2-OE2 3.79Å; R218-E222 WeakPolarHBondContact O-CB 3.4Å; R218-E222 WeakPolarHBondContact O-CG 3.43Å; R218-E222 PolarHBondContact O-N 3.35Å; Q219-E222 PolarHBondContact O-N 2.91Å; E222-R226 PolarHBondContact O-N 2.88Å; E222-R226 VanDerWaalsContact O-N 3.11Å |
| 223 | D | 97.4 | Very high | 97.5 | Very high | 61 Ų | 61 | 101.2 Ų | 101.2 | 33% | 0.326 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -77.3 | -29.1 | 177.1 | -71.7 | -35.6 | 0 | 0 | 0 | 112.2 | Q219 R226 V227 | Q219-D223 PolarHBondContact NE2-OD2 3.36Å; Q219-D223 WeakPolarHBondContact O-CB 3.28Å; Q219-D223 PolarHBondContact O-N 2.9Å; D223-R226 PolarHBondContact O-N 3.48Å; D223-R226 IonicContact OD1-CZ 3.26Å; D223-R226 IonicContact OD1-NE 2.65Å; D223-R226 PolarHBondContact OD1-NE 3.44Å; D223-R226 IonicContact OD1-NH2 2.6Å; D223-R226 PolarHBondContact OD1-NH2 2.89Å; D223-V227 WeakPolarHBondContact O-CG2 3.32Å; D223-V227 PolarHBondContact O-N 3.44Å |
| 224 | L | 97.8 | Very high | 97.4 | Very high | 110 Ų | 110 | 99.8 Ų | 99.8 | 58% | 0.576 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -45.6 | 169.2 | -175.9 | 148.4 | 0 | 0 | 0 | 111.3 | E220 R226 V227 E228 | E220-L224 WeakPolarHBondContact O-CB 3.27Å; E220-L224 PolarHBondContact O-N 2.96Å; L224-R226 VanDerWaalsContact C-N 3.3Å; L224-R226 PolarHBondContact O-N 3.41Å; L224-V227 PolarHBondContact O-N 2.88Å; L224-V227 VanDerWaalsContact O-N 3.16Å; L224-E228 WeakPolarHBondContact O-CB 3.46Å; L224-E228 PolarHBondContact O-N 3.49Å |
| 225 | L | 97.4 | Very high | 97.5 | Very high | 105 Ų | 105 | 96.1 Ų | 96.1 | 55% | 0.55 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 174.8 | -75.4 | 168.4 | 0 | 0 | 0 | 112 | E221 E228 E229 | E221-L225 VanDerWaalsContact O-CG 3.29Å; E221-L225 WeakPolarHBondContact O-CG 3.45Å; E221-L225 PolarHBondContact O-N 3.18Å; E221-L225 VanDerWaalsContact O-N 3.07Å; L225-E228 PolarHBondContact O-N 3.1Å; L225-E229 WeakPolarHBondContact O-CB 3.09Å; L225-E229 PolarHBondContact O-N 3.38Å |
| 226 | R | 97.2 | Very high | 97.5 | Very high | 152 Ų | 152 | 98.7 Ų | 98.7 | 57% | 0.574 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 174.5 | -171.5 | -161.7 | -53 | -73.8 | -4.3 | 112.2 | E222 D223 L224 Q230 | E222-R226 PolarHBondContact O-N 2.88Å; E222-R226 VanDerWaalsContact O-N 3.11Å; D223-R226 PolarHBondContact O-N 3.48Å; D223-R226 IonicContact OD1-CZ 3.26Å; D223-R226 IonicContact OD1-NE 2.65Å; D223-R226 PolarHBondContact OD1-NE 3.44Å; D223-R226 IonicContact OD1-NH2 2.6Å; D223-R226 PolarHBondContact OD1-NH2 2.89Å; L224-R226 VanDerWaalsContact C-N 3.3Å; L224-R226 PolarHBondContact O-N 3.41Å; R226-Q230 WeakPolarHBondContact O-CB 3.46Å; R226-Q230 PolarHBondContact O-N 3.45Å |
| 227 | V | 97.3 | Very high | 97.4 | Very high | 98 Ų | 98 | 97.3 Ų | 97.3 | 59% | 0.594 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.9 | -37.7 | 177.1 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | D223 L224 Q230 L231 | D223-V227 WeakPolarHBondContact O-CG2 3.32Å; D223-V227 PolarHBondContact O-N 3.44Å; L224-V227 PolarHBondContact O-N 2.88Å; L224-V227 VanDerWaalsContact O-N 3.16Å; V227-Q230 PolarHBondContact O-N 2.92Å; V227-L231 VanDerWaalsContact O-CB 3.23Å; V227-L231 WeakPolarHBondContact O-CB 3.46Å; V227-L231 PolarHBondContact O-N 2.87Å |
| 228 | E | 97.4 | Very high | 97.4 | Very high | 123 Ų | 123 | 95.7 Ų | 95.7 | 58% | 0.575 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.9 | -42.6 | 175.2 | -172.1 | 174.1 | -168.7 | 0 | 0 | 112 | L224 L225 G232 | L224-E228 WeakPolarHBondContact O-CB 3.46Å; L224-E228 PolarHBondContact O-N 3.49Å; L225-E228 PolarHBondContact O-N 3.1Å; E228-G232 PolarHBondContact O-N 2.87Å |
| 229 | E | 97.4 | Very high | 97.5 | Very high | 153 Ų | 153 | 95.8 Ų | 95.8 | 72% | 0.715 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.7 | -46.2 | 173.9 | -177.6 | 173.9 | -145.6 | 0 | 0 | 111.8 | L225 G232 S233 | L225-E229 WeakPolarHBondContact O-CB 3.09Å; L225-E229 PolarHBondContact O-N 3.38Å; E229-G232 PolarHBondContact O-N 2.91Å; E229-S233 PolarHBondContact O-N 3.39Å |
| 230 | Q | 97.4 | Very high | 97.4 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 177.1 | -178.5 | 61 | 50.7 | 0 | 0 | 111.3 | R226 V227 G232 S233 D234 | R226-Q230 WeakPolarHBondContact O-CB 3.46Å; R226-Q230 PolarHBondContact O-N 3.45Å; V227-Q230 PolarHBondContact O-N 2.92Å; Q230-G232 VanDerWaalsContact C-N 3.31Å; Q230-G232 PolarHBondContact O-N 3.01Å; Q230-S233 WeakPolarHBondContact O-CA 3.34Å; Q230-S233 WeakPolarHBondContact O-CB 3.37Å; Q230-S233 PolarHBondContact O-N 2.88Å; Q230-D234 PolarHBondContact NE2-OD1 3.37Å; Q230-D234 PolarHBondContact NE2-OD2 3.44Å; Q230-D234 PolarHBondContact O-N 3.27Å |
| 231 | L | 97.4 | Very high | 97.4 | Very high | 109 Ų | 109 | 97.7 Ų | 97.7 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -41.4 | 177.6 | -175.6 | 64.5 | 0 | 0 | 0 | 111.3 | V227 S233 D234 T235 | V227-L231 VanDerWaalsContact O-CB 3.23Å; V227-L231 WeakPolarHBondContact O-CB 3.46Å; V227-L231 PolarHBondContact O-N 2.87Å; L231-S233 VanDerWaalsContact C-N 3.27Å; L231-S233 PolarHBondContact O-N 3.35Å; L231-D234 PolarHBondContact O-N 3.08Å; L231-T235 WeakPolarHBondContact O-CB 3.39Å; L231-T235 PolarHBondContact O-N 2.83Å; L231-T235 PolarHBondContact O-OG1 3.48Å |
| 232 | G | 97.7 | Very high | 97.4 | Very high | 27 Ų | 27 | 98.3 Ų | 98.3 | 28% | 0.278 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.3 | -18.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | E228 E229 Q230 K236 | E228-G232 PolarHBondContact O-N 2.87Å; E229-G232 PolarHBondContact O-N 2.91Å; Q230-G232 VanDerWaalsContact C-N 3.31Å; Q230-G232 PolarHBondContact O-N 3.01Å; G232-K236 VanDerWaalsContact O-CD 3.23Å; G232-K236 WeakPolarHBondContact O-CD 3.33Å; G232-K236 VanDerWaalsContact O-CE 3.28Å; G232-K236 WeakPolarHBondContact O-CE 3.31Å; G232-K236 WeakPolarHBondContact O-CG 3.32Å; G232-K236 PolarHBondContact O-NZ 3.08Å |
| 233 | S | 97.1 | Very high | 97.3 | Very high | 66 Ų | 66 | 100.6 Ų | 100.6 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -80.3 | -47.2 | 167.6 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | E229 Q230 L231 T235 K236 A237 | E229-S233 PolarHBondContact O-N 3.39Å; Q230-S233 WeakPolarHBondContact O-CA 3.34Å; Q230-S233 WeakPolarHBondContact O-CB 3.37Å; Q230-S233 PolarHBondContact O-N 2.88Å; L231-S233 VanDerWaalsContact C-N 3.27Å; L231-S233 PolarHBondContact O-N 3.35Å; S233-T235 PolarHBondContact O-N 2.86Å; S233-K236 PolarHBondContact O-N 2.93Å; S233-K236 VanDerWaalsContact O-N 3.15Å; S233-A237 PolarHBondContact O-N 2.91Å |
| 234 | D | 97.4 | Very high | 97.3 | Very high | 73 Ų | 73 | 103.6 Ų | 103.6 | 39% | 0.39 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | -178.1 | -66.3 | -27.9 | 0 | 0 | 0 | 111.8 | Q230 L231 K236 A237 V238 | Q230-D234 PolarHBondContact NE2-OD1 3.37Å; Q230-D234 PolarHBondContact NE2-OD2 3.44Å; Q230-D234 PolarHBondContact O-N 3.27Å; L231-D234 PolarHBondContact O-N 3.08Å; D234-K236 VanDerWaalsContact C-N 3.32Å; D234-K236 PolarHBondContact O-N 3.37Å; D234-A237 WeakPolarHBondContact O-CB 3.32Å; D234-A237 PolarHBondContact O-N 2.87Å; D234-A237 VanDerWaalsContact O-N 3.1Å; D234-V238 WeakPolarHBondContact O-CG2 3.42Å; D234-V238 PolarHBondContact O-N 3.09Å |
| 235 | T | 97.8 | Very high | 97.3 | Very high | 81 Ų | 81 | 103.5 Ų | 103.5 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.7 | -42.3 | 171.4 | -58.9 | 0 | 0 | 0 | 0 | 111.8 | L231 S233 A237 V238 E239 | L231-T235 WeakPolarHBondContact O-CB 3.39Å; L231-T235 PolarHBondContact O-N 2.83Å; L231-T235 PolarHBondContact O-OG1 3.48Å; S233-T235 PolarHBondContact O-N 2.86Å; T235-A237 VanDerWaalsContact C-N 3.3Å; T235-A237 PolarHBondContact O-N 3.46Å; T235-V238 PolarHBondContact O-N 2.95Å; T235-E239 WeakPolarHBondContact O-CB 3.35Å; T235-E239 PolarHBondContact O-N 3.4Å |
| 236 | K | 97.3 | Very high | 97.2 | Very high | 127 Ų | 127 | 104.6 Ų | 104.6 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72 | -23 | 176.8 | -66.6 | 167.3 | -169.6 | 154.5 | 0 | 113.1 | G232 S233 D234 K240 | G232-K236 VanDerWaalsContact O-CD 3.23Å; G232-K236 WeakPolarHBondContact O-CD 3.33Å; G232-K236 VanDerWaalsContact O-CE 3.28Å; G232-K236 WeakPolarHBondContact O-CE 3.31Å; G232-K236 WeakPolarHBondContact O-CG 3.32Å; G232-K236 PolarHBondContact O-NZ 3.08Å; S233-K236 PolarHBondContact O-N 2.93Å; S233-K236 VanDerWaalsContact O-N 3.15Å; D234-K236 VanDerWaalsContact C-N 3.32Å; D234-K236 PolarHBondContact O-N 3.37Å; K236-K240 WeakPolarHBondContact O-CG 3.21Å; K236-K240 PolarHBondContact O-N 3.05Å |
| 237 | A | 97.4 | Very high | 97.2 | Very high | 48 Ų | 48 | 100 Ų | 100 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.8 | -39.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111 | S233 D234 T235 L241 | S233-A237 PolarHBondContact O-N 2.91Å; D234-A237 WeakPolarHBondContact O-CB 3.32Å; D234-A237 PolarHBondContact O-N 2.87Å; D234-A237 VanDerWaalsContact O-N 3.1Å; T235-A237 VanDerWaalsContact C-N 3.3Å; T235-A237 PolarHBondContact O-N 3.46Å; A237-L241 WeakPolarHBondContact O-CG 3.43Å; A237-L241 PolarHBondContact O-N 3.47Å; A237-L241 VanDerWaalsContact O-N 3.13Å |
| 238 | V | 97.4 | Very high | 97.1 | Very high | 77 Ų | 77 | 100.2 Ų | 100.2 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -48.2 | 172.9 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | D234 T235 K240 L241 E242 | D234-V238 WeakPolarHBondContact O-CG2 3.42Å; D234-V238 PolarHBondContact O-N 3.09Å; T235-V238 PolarHBondContact O-N 2.95Å; V238-K240 VanDerWaalsContact C-N 3.28Å; V238-K240 PolarHBondContact O-N 3.33Å; V238-L241 CarbonylContact O-C 3.47Å; V238-L241 WeakPolarHBondContact O-CA 3.42Å; V238-L241 WeakPolarHBondContact O-CB 3.34Å; V238-L241 PolarHBondContact O-N 3.03Å; V238-E242 HydrophobicContact CG1-CG 4.42Å; V238-E242 PolarHBondContact O-N 3.25Å |
| 239 | E | 97.1 | Very high | 97.1 | Very high | 112 Ų | 112 | 100.3 Ų | 100.3 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -52.1 | -45.2 | 177.2 | -176 | 175.5 | -144.2 | 0 | 0 | 111.7 | T235 E242 E243 | T235-E239 WeakPolarHBondContact O-CB 3.35Å; T235-E239 PolarHBondContact O-N 3.4Å; E239-E242 PolarHBondContact O-N 2.93Å; E239-E243 WeakPolarHBondContact O-CG 3.45Å; E239-E243 PolarHBondContact O-N 3.35Å |
| 240 | K | 97.1 | Very high | 97 | Very high | 131 Ų | 131 | 95.9 Ų | 95.9 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.9 | -35.6 | 174.6 | -73.8 | 176.5 | 179.1 | -177 | 0 | 114.2 | K236 V238 E242 E243 E244 | K236-K240 WeakPolarHBondContact O-CG 3.21Å; K236-K240 PolarHBondContact O-N 3.05Å; V238-K240 VanDerWaalsContact C-N 3.28Å; V238-K240 PolarHBondContact O-N 3.33Å; K240-E242 VanDerWaalsContact C-N 3.31Å; K240-E243 PolarHBondContact O-N 3.16Å; K240-E244 WeakPolarHBondContact O-CB 3.45Å; K240-E244 WeakPolarHBondContact O-CG 3.49Å; K240-E244 PolarHBondContact O-N 2.95Å |
| 241 | L | 97.1 | Very high | 96.9 | Very high | 113 Ų | 113 | 97.5 Ų | 97.5 | 59% | 0.592 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70 | -31 | 175.7 | -72.8 | 168.1 | 0 | 0 | 0 | 111.4 | A237 V238 Q245 | A237-L241 WeakPolarHBondContact O-CG 3.43Å; A237-L241 PolarHBondContact O-N 3.47Å; A237-L241 VanDerWaalsContact O-N 3.13Å; V238-L241 CarbonylContact O-C 3.47Å; V238-L241 WeakPolarHBondContact O-CA 3.42Å; V238-L241 WeakPolarHBondContact O-CB 3.34Å; V238-L241 PolarHBondContact O-N 3.03Å; L241-Q245 WeakPolarHBondContact O-CB 3.42Å; L241-Q245 PolarHBondContact O-N 3.38Å |
| 242 | E | 97.2 | Very high | 96.9 | Very high | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70 | -43.1 | 170.3 | -67.7 | -179 | 159.9 | 0 | 0 | 111.2 | V238 E239 K240 Q245 H246 | V238-E242 HydrophobicContact CG1-CG 4.42Å; V238-E242 PolarHBondContact O-N 3.25Å; E239-E242 PolarHBondContact O-N 2.93Å; K240-E242 VanDerWaalsContact C-N 3.31Å; E242-Q245 PolarHBondContact O-N 2.88Å; E242-H246 PolarHBondContact O-CD2 3.45Å; E242-H246 PolarHBondContact O-N 3.18Å |
| 243 | E | 96.8 | Very high | 96.8 | Very high | 131 Ų | 131 | 101.9 Ų | 101.9 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.7 | -48.8 | 171.1 | -72.2 | -174.8 | 145.3 | 0 | 0 | 112.2 | E239 K240 H246 A247 | E239-E243 WeakPolarHBondContact O-CG 3.45Å; E239-E243 PolarHBondContact O-N 3.35Å; K240-E243 PolarHBondContact O-N 3.16Å; E243-H246 PolarHBondContact O-N 3.41Å; E243-A247 WeakPolarHBondContact O-CB 3.29Å; E243-A247 PolarHBondContact O-N 2.91Å |
| 244 | E | 96.8 | Very high | 96.7 | Very high | 124 Ų | 124 | 102 Ų | 102 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -38.6 | 177.5 | -76.2 | -174.6 | -174.3 | 0 | 0 | 112 | K240 A247 L248 | K240-E244 WeakPolarHBondContact O-CB 3.45Å; K240-E244 WeakPolarHBondContact O-CG 3.49Å; K240-E244 PolarHBondContact O-N 2.95Å; E244-A247 PolarHBondContact O-N 2.89Å; E244-L248 WeakPolarHBondContact O-CB 3.36Å; E244-L248 VanDerWaalsContact O-CG 3.3Å; E244-L248 WeakPolarHBondContact O-CG 3.42Å; E244-L248 PolarHBondContact O-N 3.33Å |
| 245 | Q | 96.7 | Very high | 96.5 | Very high | 108 Ų | 108 | 103.3 Ų | 103.3 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 174.2 | 178.5 | 179.2 | 98.3 | 0 | 0 | 111.5 | L241 E242 A247 L248 F249 | L241-Q245 WeakPolarHBondContact O-CB 3.42Å; L241-Q245 PolarHBondContact O-N 3.38Å; E242-Q245 PolarHBondContact O-N 2.88Å; Q245-A247 PolarHBondContact O-N 2.85Å; Q245-L248 PolarHBondContact O-N 2.91Å; Q245-F249 HydrophobicContact CG-CD2 3.75Å; Q245-F249 HydrophobicContact CG-CE2 3.59Å; Q245-F249 WeakPolarHBondContact O-CD2 3.26Å; Q245-F249 PolarHBondContact O-N 3.03Å |
| 246 | H | 96.5 | Very high | 96.4 | Very high | 128 Ų | 128 | 103.1 Ų | 103.1 | 59% | 0.593 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -40 | 175.9 | -75.8 | -54.3 | 0 | 0 | 0 | 112 | E242 E243 L248 F249 A250 | E242-H246 PolarHBondContact O-CD2 3.45Å; E242-H246 PolarHBondContact O-N 3.18Å; E243-H246 PolarHBondContact O-N 3.41Å; H246-L248 VanDerWaalsContact C-N 3.31Å; H246-L248 PolarHBondContact O-N 3.44Å; H246-F249 PolarHBondContact O-N 3.47Å; H246-A250 WeakPolarHBondContact O-CB 3.38Å; H246-A250 PolarHBondContact O-N 3.08Å |
| 247 | A | 96.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 101.4 Ų | 101.4 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -29.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E243 E244 Q245 R251 | E243-A247 WeakPolarHBondContact O-CB 3.29Å; E243-A247 PolarHBondContact O-N 2.91Å; E244-A247 PolarHBondContact O-N 2.89Å; Q245-A247 PolarHBondContact O-N 2.85Å; A247-R251 PolarHBondContact O-N 2.79Å |
| 248 | L | 96.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 103.7 Ų | 103.7 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.1 | -47.4 | 171.6 | -77.9 | 164.6 | 0 | 0 | 0 | 111.5 | E244 Q245 H246 A250 R251 D252 | E244-L248 WeakPolarHBondContact O-CB 3.36Å; E244-L248 VanDerWaalsContact O-CG 3.3Å; E244-L248 WeakPolarHBondContact O-CG 3.42Å; E244-L248 PolarHBondContact O-N 3.33Å; Q245-L248 PolarHBondContact O-N 2.91Å; H246-L248 VanDerWaalsContact C-N 3.31Å; H246-L248 PolarHBondContact O-N 3.44Å; L248-A250 PolarHBondContact O-N 3.01Å; L248-R251 WeakPolarHBondContact O-CB 3.49Å; L248-R251 PolarHBondContact O-N 2.81Å; L248-R251 VanDerWaalsContact O-N 3.12Å; L248-D252 PolarHBondContact O-N 2.87Å |
| 249 | F | 96.6 | Very high | 95.7 | Very high | 125 Ų | 125 | 105.5 Ų | 105.5 | 55% | 0.548 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 175.9 | -84.5 | -60.9 | 0 | 0 | 0 | 112.5 | Q245 H246 R251 D252 E253 | Q245-F249 HydrophobicContact CG-CD2 3.75Å; Q245-F249 HydrophobicContact CG-CE2 3.59Å; Q245-F249 WeakPolarHBondContact O-CD2 3.26Å; Q245-F249 PolarHBondContact O-N 3.03Å; H246-F249 PolarHBondContact O-N 3.47Å; F249-R251 PolarHBondContact O-N 2.99Å; F249-D252 PolarHBondContact O-N 2.87Å; F249-D252 VanDerWaalsContact O-N 3.13Å; F249-E253 WeakPolarHBondContact O-CB 3.44Å; F249-E253 PolarHBondContact O-N 3.33Å |
| 250 | A | 96 | Very high | 95.4 | Very high | 60 Ų | 60 | 103.9 Ų | 103.9 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.1 | -31.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | H246 L248 D254 | H246-A250 WeakPolarHBondContact O-CB 3.38Å; H246-A250 PolarHBondContact O-N 3.08Å; L248-A250 PolarHBondContact O-N 3.01Å; A250-D254 WeakPolarHBondContact O-CB 3.28Å; A250-D254 PolarHBondContact O-N 3.09Å |
| 251 | R | 95.8 | Very high | 95.1 | Very high | 140 Ų | 140 | 102.5 Ų | 102.5 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -75.6 | -38.1 | 173.4 | -173 | -176.1 | -65.1 | 107.5 | -0.3 | 112 | A247 L248 F249 D254 L255 | A247-R251 PolarHBondContact O-N 2.79Å; L248-R251 WeakPolarHBondContact O-CB 3.49Å; L248-R251 PolarHBondContact O-N 2.81Å; L248-R251 VanDerWaalsContact O-N 3.12Å; F249-R251 PolarHBondContact O-N 2.99Å; R251-D254 PolarHBondContact O-N 3.37Å; R251-L255 HydrophobicContact CG-CD1 4.11Å; R251-L255 HydrophobicContact CG-CG 4.46Å; R251-L255 WeakPolarHBondContact O-CB 3.47Å; R251-L255 VanDerWaalsContact O-CG 3.27Å; R251-L255 WeakPolarHBondContact O-CG 3.43Å; R251-L255 PolarHBondContact O-N 3.22Å |
| 252 | D | 95.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 104 Ų | 104 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -38.5 | 177.7 | -164.4 | 57.9 | 0 | 0 | 0 | 111.5 | L248 F249 L255 T256 | L248-D252 PolarHBondContact O-N 2.87Å; F249-D252 PolarHBondContact O-N 2.87Å; F249-D252 VanDerWaalsContact O-N 3.13Å; D252-L255 PolarHBondContact O-N 3.44Å; D252-T256 VanDerWaalsContact O-CB 3.23Å; D252-T256 WeakPolarHBondContact O-CB 3.28Å; D252-T256 PolarHBondContact O-N 3.23Å; D252-T256 PolarHBondContact O-OG1 2.77Å |
| 253 | E | 95.6 | Very high | 94.2 | Very high | 130 Ų | 130 | 104.5 Ų | 104.5 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 171.7 | -175.4 | 174 | -168.2 | 0 | 0 | 111.9 | F249 L255 T256 N257 | F249-E253 WeakPolarHBondContact O-CB 3.44Å; F249-E253 PolarHBondContact O-N 3.33Å; E253-L255 PolarHBondContact O-N 3.12Å; E253-T256 PolarHBondContact O-N 2.85Å; E253-N257 WeakPolarHBondContact O-CB 3.22Å; E253-N257 PolarHBondContact O-N 3.19Å; E253-N257 PolarHBondContact O-ND2 2.87Å |
| 254 | D | 95.3 | Very high | 93.8 | Very high | 69 Ų | 69 | 102 Ų | 102 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 173.5 | 168.5 | 74.7 | 0 | 0 | 0 | 112.5 | A250 R251 K258 | A250-D254 WeakPolarHBondContact O-CB 3.28Å; A250-D254 PolarHBondContact O-N 3.09Å; R251-D254 PolarHBondContact O-N 3.37Å; D254-K258 WeakPolarHBondContact O-CB 3.4Å; D254-K258 WeakPolarHBondContact O-CD 3.39Å; D254-K258 VanDerWaalsContact O-CG 3.29Å; D254-K258 WeakPolarHBondContact O-CG 3.24Å; D254-K258 PolarHBondContact O-N 3.43Å; D254-K258 WeakPolarHBondContact OD1-CE 3.38Å; D254-K258 IonicContact OD1-NZ 3.91Å; D254-K258 PolarHBondContact OD1-NZ 3.19Å; D254-K258 IonicContact OD2-NZ 2.72Å; D254-K258 PolarHBondContact OD2-NZ 3.24Å |
| 255 | L | 93.8 | Very high | 93.3 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 176.7 | -72.7 | 171.7 | 0 | 0 | 0 | 112.3 | R251 D252 E253 K258 L259 | R251-L255 HydrophobicContact CG-CD1 4.11Å; R251-L255 HydrophobicContact CG-CG 4.46Å; R251-L255 WeakPolarHBondContact O-CB 3.47Å; R251-L255 VanDerWaalsContact O-CG 3.27Å; R251-L255 WeakPolarHBondContact O-CG 3.43Å; R251-L255 PolarHBondContact O-N 3.22Å; D252-L255 PolarHBondContact O-N 3.44Å; E253-L255 PolarHBondContact O-N 3.12Å; L255-K258 PolarHBondContact O-N 2.81Å; L255-L259 WeakPolarHBondContact O-CB 3.2Å; L255-L259 PolarHBondContact O-N 2.86Å |
| 256 | T | 95 | Very high | 92.8 | Very high | 77 Ų | 77 | 99.9 Ų | 99.9 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 176.8 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | D252 E253 L259 S260 | D252-T256 VanDerWaalsContact O-CB 3.23Å; D252-T256 WeakPolarHBondContact O-CB 3.28Å; D252-T256 PolarHBondContact O-N 3.23Å; D252-T256 PolarHBondContact O-OG1 2.77Å; E253-T256 PolarHBondContact O-N 2.85Å; T256-L259 PolarHBondContact O-N 3.42Å; T256-S260 WeakPolarHBondContact O-CB 3.45Å; T256-S260 PolarHBondContact O-N 3.49Å |
| 257 | N | 92.9 | Very high | 92.3 | Very high | 91 Ų | 91 | 97.6 Ų | 97.6 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -44 | 173.7 | -76 | -47.6 | 0 | 0 | 0 | 111.4 | E253 L259 S260 D261 | E253-N257 WeakPolarHBondContact O-CB 3.22Å; E253-N257 PolarHBondContact O-N 3.19Å; E253-N257 PolarHBondContact O-ND2 2.87Å; N257-L259 VanDerWaalsContact C-N 3.34Å; N257-L259 PolarHBondContact O-N 3.35Å; N257-S260 WeakPolarHBondContact O-CB 3.39Å; N257-S260 PolarHBondContact O-N 2.83Å; N257-D261 PolarHBondContact O-N 3.27Å |
| 258 | K | 93 | Very high | 91.8 | Very high | 96 Ų | 96 | 100.4 Ų | 100.4 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 174.4 | -76.7 | 164.2 | 179.5 | 161.8 | 0 | 112.9 | D254 L255 D261 Y262 | D254-K258 WeakPolarHBondContact O-CB 3.4Å; D254-K258 WeakPolarHBondContact O-CD 3.39Å; D254-K258 VanDerWaalsContact O-CG 3.29Å; D254-K258 WeakPolarHBondContact O-CG 3.24Å; D254-K258 PolarHBondContact O-N 3.43Å; D254-K258 WeakPolarHBondContact OD1-CE 3.38Å; D254-K258 IonicContact OD1-NZ 3.91Å; D254-K258 PolarHBondContact OD1-NZ 3.19Å; D254-K258 IonicContact OD2-NZ 2.72Å; D254-K258 PolarHBondContact OD2-NZ 3.24Å; L255-K258 PolarHBondContact O-N 2.81Å; K258-D261 WeakPolarHBondContact O-CB 3.41Å; K258-D261 PolarHBondContact O-N 2.85Å; K258-Y262 WeakPolarHBondContact O-CD2 3.41Å; K258-Y262 PolarHBondContact O-N 3.39Å |
| 259 | L | 91.5 | Very high | 91.2 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 175.2 | -174.3 | 62.6 | 0 | 0 | 0 | 110.9 | L255 T256 N257 D261 Y262 E263 | L255-L259 WeakPolarHBondContact O-CB 3.2Å; L255-L259 PolarHBondContact O-N 2.86Å; T256-L259 PolarHBondContact O-N 3.42Å; N257-L259 VanDerWaalsContact C-N 3.34Å; N257-L259 PolarHBondContact O-N 3.35Å; L259-D261 VanDerWaalsContact C-N 3.29Å; L259-D261 PolarHBondContact O-N 2.79Å; L259-Y262 WeakPolarHBondContact O-CA 3.5Å; L259-Y262 PolarHBondContact O-N 2.91Å; L259-E263 PolarHBondContact O-N 2.96Å |
| 260 | S | 90.9 | Very high | 90.7 | Very high | 78 Ų | 78 | 99.3 Ų | 99.3 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -35.4 | 172.9 | -164.9 | 0 | 0 | 0 | 0 | 112.5 | T256 N257 Y262 P264 | T256-S260 WeakPolarHBondContact O-CB 3.45Å; T256-S260 PolarHBondContact O-N 3.49Å; N257-S260 WeakPolarHBondContact O-CB 3.39Å; N257-S260 PolarHBondContact O-N 2.83Å; S260-Y262 VanDerWaalsContact C-N 3.3Å; S260-Y262 PolarHBondContact O-N 3.49Å; S260-P264 WeakPolarHBondContact O-CD 3.38Å |
| 261 | D | 91.1 | Very high | 90.3 | Very high | 101 Ų | 101 | 101.1 Ų | 101.1 | 54% | 0.54 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -25.1 | 171.4 | -86.1 | -21.5 | 0 | 0 | 0 | 113.4 | N257 K258 L259 K265 | N257-D261 PolarHBondContact O-N 3.27Å; K258-D261 WeakPolarHBondContact O-CB 3.41Å; K258-D261 PolarHBondContact O-N 2.85Å; L259-D261 VanDerWaalsContact C-N 3.29Å; L259-D261 PolarHBondContact O-N 2.79Å; D261-K265 PolarHBondContact O-NZ 2.85Å |
| 262 | Y | 87.6 | Confident | 89.8 | Confident | 144 Ų | 144 | 98.9 Ų | 98.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -87.8 | -31 | 176.6 | -77.6 | -66.3 | 0 | 0 | 0 | 113.2 | K258 L259 S260 K265 V266 | K258-Y262 WeakPolarHBondContact O-CD2 3.41Å; K258-Y262 PolarHBondContact O-N 3.39Å; L259-Y262 WeakPolarHBondContact O-CA 3.5Å; L259-Y262 PolarHBondContact O-N 2.91Å; S260-Y262 VanDerWaalsContact C-N 3.3Å; S260-Y262 PolarHBondContact O-N 3.49Å; Y262-K265 HydrophobicContact CD1-CD 4.18Å; Y262-K265 WeakPolarHBondContact O-CA 3.26Å; Y262-K265 WeakPolarHBondContact O-CB 3.49Å; Y262-K265 PolarHBondContact O-N 3.44Å; Y262-V266 WeakPolarHBondContact O-CG2 3.47Å; Y262-V266 PolarHBondContact O-N 2.88Å |
| 263 | E | 88.4 | Confident | 89.4 | Confident | 120 Ų | 120 | 99.6 Ų | 99.6 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -43.5 | -54.3 | 174.7 | -167.2 | 86.5 | -132.9 | 0 | 0 | 113.5 | L259 K265 V266 E267 | L259-E263 PolarHBondContact O-N 2.96Å; E263-K265 VanDerWaalsContact C-N 3.33Å; E263-K265 PolarHBondContact O-N 2.93Å; E263-V266 PolarHBondContact O-N 3.38Å; E263-E267 PolarHBondContact O-N 3.36Å; E263-E267 VanDerWaalsContact O-N 3.08Å |
| 264 | P | 88.2 | Confident | 89 | Confident | 80 Ų | 80 | 97.1 Ų | 97.1 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -29.3 | 179 | 28.9 | -36.3 | 0 | 0 | 0 | 113 | S260 E268 | S260-P264 WeakPolarHBondContact O-CD 3.38Å; P264-E268 VanDerWaalsContact O-CB 3.27Å; P264-E268 WeakPolarHBondContact O-CB 3.25Å; P264-E268 PolarHBondContact O-N 2.76Å |
| 265 | K | 85.6 | Confident | 88.6 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 43% | 0.426 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.4 | -34.9 | 176.9 | -57.3 | -173.4 | -175.5 | 80.6 | 0 | 111.2 | D261 Y262 E263 C269 | D261-K265 PolarHBondContact O-NZ 2.85Å; Y262-K265 HydrophobicContact CD1-CD 4.18Å; Y262-K265 WeakPolarHBondContact O-CA 3.26Å; Y262-K265 WeakPolarHBondContact O-CB 3.49Å; Y262-K265 PolarHBondContact O-N 3.44Å; E263-K265 VanDerWaalsContact C-N 3.33Å; E263-K265 PolarHBondContact O-N 2.93Å; K265-C269 WeakPolarHBondContact O-CB 3.49Å; K265-C269 PolarHBondContact O-N 3.37Å; K265-C269 PolarHBondContact O-SG 2.85Å; K265-C269 VanDerWaalsContact O-SG 3.35Å |
| 266 | V | 87.1 | Confident | 88.2 | Confident | 88 Ų | 88 | 98.4 Ų | 98.4 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 174.7 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | Y262 E263 C269 K270 | Y262-V266 WeakPolarHBondContact O-CG2 3.47Å; Y262-V266 PolarHBondContact O-N 2.88Å; E263-V266 PolarHBondContact O-N 3.38Å; V266-C269 PolarHBondContact O-N 3.5Å; V266-K270 VanDerWaalsContact O-CB 3.26Å; V266-K270 WeakPolarHBondContact O-CB 3.43Å; V266-K270 PolarHBondContact O-N 3.39Å |
| 267 | E | 86.4 | Confident | 87.9 | Confident | 80 Ų | 80 | 99.4 Ų | 99.4 | 37% | 0.374 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 173.8 | -69.3 | -62.4 | -64.8 | 0 | 0 | 112.3 | E263 K270 T271 | E263-E267 PolarHBondContact O-N 3.36Å; E263-E267 VanDerWaalsContact O-N 3.08Å; E267-K270 WeakPolarHBondContact O-CB 3.4Å; E267-K270 PolarHBondContact O-N 2.8Å; E267-K270 WeakPolarHBondContact OE1-CD 3.39Å; E267-K270 IonicContact OE1-NZ 3.39Å; E267-K270 PolarHBondContact OE1-NZ 2.95Å; E267-K270 WeakPolarHBondContact OE2-CD 3.43Å; E267-K270 WeakPolarHBondContact OE2-CE 3.48Å; E267-K270 IonicContact OE2-NZ 2.65Å; E267-K270 PolarHBondContact OE2-NZ 3.43Å; E267-T271 WeakPolarHBondContact O-CG2 3.33Å; E267-T271 PolarHBondContact O-N 3.27Å |
| 268 | E | 85.5 | Confident | 87.7 | Confident | 114 Ų | 114 | 98 Ų | 98 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -53.6 | 171.4 | -179 | 174.7 | -154.2 | 0 | 0 | 111 | P264 K270 T271 H272 | P264-E268 VanDerWaalsContact O-CB 3.27Å; P264-E268 WeakPolarHBondContact O-CB 3.25Å; P264-E268 PolarHBondContact O-N 2.76Å; E268-K270 VanDerWaalsContact C-N 3.26Å; E268-K270 PolarHBondContact O-N 3.32Å; E268-T271 PolarHBondContact O-N 2.85Å; E268-T271 PolarHBondContact O-OG1 3.22Å; E268-H272 PolarHBondContact O-CD2 2.73Å; E268-H272 VanDerWaalsContact O-CD2 3.27Å; E268-H272 PolarHBondContact O-N 3.23Å |
| 269 | C | 84.3 | Confident | 87.5 | Confident | 85 Ų | 85 | 95.9 Ų | 95.9 | 57% | 0.574 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -55.8 | -39.1 | 174.9 | -74 | 0 | 0 | 0 | 0 | 112.9 | K265 V266 H272 L273 | K265-C269 WeakPolarHBondContact O-CB 3.49Å; K265-C269 PolarHBondContact O-N 3.37Å; K265-C269 PolarHBondContact O-SG 2.85Å; K265-C269 VanDerWaalsContact O-SG 3.35Å; V266-C269 PolarHBondContact O-N 3.5Å; C269-H272 PolarHBondContact O-N 2.81Å; C269-L273 PolarHBondContact O-N 2.92Å |
| 270 | K | 85.3 | Confident | 87.4 | Confident | 120 Ų | 120 | 94.1 Ų | 94.1 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 176.4 | 178.4 | -168.4 | -179.7 | -170.2 | 0 | 112.5 | V266 E267 E268 L273 | V266-K270 VanDerWaalsContact O-CB 3.26Å; V266-K270 WeakPolarHBondContact O-CB 3.43Å; V266-K270 PolarHBondContact O-N 3.39Å; E267-K270 WeakPolarHBondContact O-CB 3.4Å; E267-K270 PolarHBondContact O-N 2.8Å; E267-K270 WeakPolarHBondContact OE1-CD 3.39Å; E267-K270 IonicContact OE1-NZ 3.39Å; E267-K270 PolarHBondContact OE1-NZ 2.95Å; E267-K270 WeakPolarHBondContact OE2-CD 3.43Å; E267-K270 WeakPolarHBondContact OE2-CE 3.48Å; E267-K270 IonicContact OE2-NZ 2.65Å; E267-K270 PolarHBondContact OE2-NZ 3.43Å; E268-K270 VanDerWaalsContact C-N 3.26Å; E268-K270 PolarHBondContact O-N 3.32Å; K270-L273 WeakPolarHBondContact O-CB 3.36Å |
| 271 | T | 86.7 | Confident | 87.3 | Confident | 98 Ų | 98 | 96.9 Ų | 96.9 | 60% | 0.601 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.1 | -29.4 | 171.5 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | E267 E268 P274 | E267-T271 WeakPolarHBondContact O-CG2 3.33Å; E267-T271 PolarHBondContact O-N 3.27Å; E268-T271 PolarHBondContact O-N 2.85Å; E268-T271 PolarHBondContact O-OG1 3.22Å; T271-P274 WeakPolarHBondContact O-CD 3.42Å |
| 272 | H | 86.6 | Confident | 87.2 | Confident | 93 Ų | 93 | 95.1 Ų | 95.1 | 43% | 0.431 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -78.9 | -22.1 | 173.1 | -73.4 | -61.1 | 0 | 0 | 0 | 113.9 | E268 C269 P274 T275 I276 | E268-H272 PolarHBondContact O-CD2 2.73Å; E268-H272 VanDerWaalsContact O-CD2 3.27Å; E268-H272 PolarHBondContact O-N 3.23Å; C269-H272 PolarHBondContact O-N 2.81Å; H272-P274 VanDerWaalsContact C-CD 3.49Å; H272-T275 WeakPolarHBondContact O-CB 3.49Å; H272-T275 PolarHBondContact O-N 3.32Å; H272-I276 HydrophobicContact CB-CD1 4.26Å; H272-I276 WeakPolarHBondContact O-CG1 3.28Å; H272-I276 PolarHBondContact O-N 3Å |
| 273 | L | 86.4 | Confident | 87.3 | Confident | 114 Ų | 114 | 93.2 Ų | 93.2 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -51.3 | -45.3 | -176.8 | -157.5 | 82.6 | 0 | 0 | 0 | 113.9 | C269 K270 T275 I276 E277 | C269-L273 PolarHBondContact O-N 2.92Å; K270-L273 WeakPolarHBondContact O-CB 3.36Å; L273-T275 VanDerWaalsContact C-N 3.33Å; L273-T275 PolarHBondContact O-N 2.88Å; L273-I276 PolarHBondContact O-N 3.21Å; L273-E277 WeakPolarHBondContact O-CB 3.38Å; L273-E277 PolarHBondContact O-N 2.93Å |
| 274 | P | 88.1 | Confident | 87.3 | Confident | 77 Ų | 77 | 92.7 Ų | 92.7 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.5 | -31.6 | 178.5 | -19.1 | 33.9 | 0 | 0 | 0 | 113.1 | T271 H272 S278 | T271-P274 WeakPolarHBondContact O-CD 3.42Å; H272-P274 VanDerWaalsContact C-CD 3.49Å; P274-S278 VanDerWaalsContact O-CB 3.26Å; P274-S278 WeakPolarHBondContact O-CB 3.4Å; P274-S278 PolarHBondContact O-N 2.83Å |
| 275 | T | 85.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 97.3 Ų | 97.3 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.5 | -42.3 | 175 | -53 | 0 | 0 | 0 | 0 | 110.7 | H272 L273 S278 A279 | H272-T275 WeakPolarHBondContact O-CB 3.49Å; H272-T275 PolarHBondContact O-N 3.32Å; L273-T275 VanDerWaalsContact C-N 3.33Å; L273-T275 PolarHBondContact O-N 2.88Å; T275-S278 PolarHBondContact O-N 3.4Å; T275-A279 WeakPolarHBondContact O-CB 3.34Å; T275-A279 PolarHBondContact O-N 3.32Å |
| 276 | I | 86.8 | Confident | 87.7 | Confident | 100 Ų | 100 | 96.7 Ų | 96.7 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 174.9 | -64 | 167.5 | 0 | 0 | 0 | 110.2 | H272 L273 S278 A279 V280 | H272-I276 HydrophobicContact CB-CD1 4.26Å; H272-I276 WeakPolarHBondContact O-CG1 3.28Å; H272-I276 PolarHBondContact O-N 3Å; L273-I276 PolarHBondContact O-N 3.21Å; I276-S278 VanDerWaalsContact C-N 3.31Å; I276-S278 PolarHBondContact O-N 3.33Å; I276-A279 PolarHBondContact O-N 2.9Å; I276-V280 HydrophobicContact CG2-CG2 4.49Å; I276-V280 WeakPolarHBondContact O-CG2 3.44Å; I276-V280 PolarHBondContact O-N 2.74Å |
| 277 | E | 89 | Confident | 87.7 | Confident | 98 Ų | 98 | 95.2 Ų | 95.2 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 176.4 | -161.5 | -161.7 | -176.7 | 0 | 0 | 111.8 | L273 V280 R281 | L273-E277 WeakPolarHBondContact O-CB 3.38Å; L273-E277 PolarHBondContact O-N 2.93Å; E277-V280 PolarHBondContact O-N 3.43Å; E277-R281 WeakPolarHBondContact O-CB 3.4Å; E277-R281 WeakPolarHBondContact O-CG 3.35Å; E277-R281 PolarHBondContact O-N 2.73Å; E277-R281 IonicContact OE1-CZ 2.67Å; E277-R281 IonicContact OE1-NH1 3.4Å; E277-R281 PolarHBondContact OE1-NH1 2.7Å; E277-R281 IonicContact OE1-NH2 2.63Å; E277-R281 PolarHBondContact OE1-NH2 3.19Å; E277-R281 IonicContact OE2-CZ 3.55Å; E277-R281 IonicContact OE2-NH1 3.36Å; E277-R281 IonicContact OE2-NH2 2.69Å; E277-R281 PolarHBondContact OE2-NH2 3.5Å |
| 278 | S | 87.9 | Confident | 87.9 | Confident | 63 Ų | 63 | 98.2 Ų | 98.2 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.1 | -40.4 | 173.4 | -168.7 | 0 | 0 | 0 | 0 | 112.5 | P274 T275 I276 R281 S282 | P274-S278 VanDerWaalsContact O-CB 3.26Å; P274-S278 WeakPolarHBondContact O-CB 3.4Å; P274-S278 PolarHBondContact O-N 2.83Å; T275-S278 PolarHBondContact O-N 3.4Å; I276-S278 VanDerWaalsContact C-N 3.31Å; I276-S278 PolarHBondContact O-N 3.33Å; S278-R281 PolarHBondContact O-N 2.84Å; S278-S282 WeakPolarHBondContact O-CB 3.34Å; S278-S282 PolarHBondContact O-N 2.91Å; S278-S282 PolarHBondContact O-OG 2.82Å |
| 279 | A | 88.1 | Confident | 88.1 | Confident | 51 Ų | 51 | 97.3 Ų | 97.3 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T275 I276 S282 V283 | T275-A279 WeakPolarHBondContact O-CB 3.34Å; T275-A279 PolarHBondContact O-N 3.32Å; I276-A279 PolarHBondContact O-N 2.9Å; A279-S282 WeakPolarHBondContact O-CB 3.45Å; A279-S282 PolarHBondContact O-N 3.07Å; A279-S282 VanDerWaalsContact O-N 3.12Å; A279-V283 WeakPolarHBondContact O-CG2 3.42Å; A279-V283 PolarHBondContact O-N 2.84Å |
| 280 | V | 89.4 | Confident | 88.2 | Confident | 79 Ų | 79 | 98.3 Ų | 98.3 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 174.9 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | I276 E277 S282 V283 L284 | I276-V280 HydrophobicContact CG2-CG2 4.49Å; I276-V280 WeakPolarHBondContact O-CG2 3.44Å; I276-V280 PolarHBondContact O-N 2.74Å; E277-V280 PolarHBondContact O-N 3.43Å; V280-S282 VanDerWaalsContact C-N 3.26Å; V280-S282 PolarHBondContact O-N 3.47Å; V280-V283 PolarHBondContact O-N 3.2Å; V280-L284 HydrophobicContact CG1-CD1 3.95Å; V280-L284 HydrophobicContact CG1-CG 4.41Å; V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 WeakPolarHBondContact O-CG 3.4Å; V280-L284 PolarHBondContact O-N 3.5Å |
| 281 | R | 89.4 | Confident | 88.4 | Confident | 136 Ų | 136 | 96.4 Ų | 96.4 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.8 | -36 | 173.1 | -80.8 | -167.3 | -80.9 | -105.8 | -3.1 | 112.6 | E277 S278 R285 | E277-R281 WeakPolarHBondContact O-CB 3.4Å; E277-R281 WeakPolarHBondContact O-CG 3.35Å; E277-R281 PolarHBondContact O-N 2.73Å; E277-R281 IonicContact OE1-CZ 2.67Å; E277-R281 IonicContact OE1-NH1 3.4Å; E277-R281 PolarHBondContact OE1-NH1 2.7Å; E277-R281 IonicContact OE1-NH2 2.63Å; E277-R281 PolarHBondContact OE1-NH2 3.19Å; E277-R281 IonicContact OE2-CZ 3.55Å; E277-R281 IonicContact OE2-NH1 3.36Å; E277-R281 IonicContact OE2-NH2 2.69Å; E277-R281 PolarHBondContact OE2-NH2 3.5Å; S278-R281 PolarHBondContact O-N 2.84Å; R281-R285 WeakPolarHBondContact O-CB 3.49Å; R281-R285 PolarHBondContact O-N 3.27Å |
| 282 | S | 89.9 | Confident | 88.5 | Confident | 64 Ų | 64 | 93.2 Ų | 93.2 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.1 | -42.8 | 177.1 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | S278 A279 V280 R285 V286 | S278-S282 WeakPolarHBondContact O-CB 3.34Å; S278-S282 PolarHBondContact O-N 2.91Å; S278-S282 PolarHBondContact O-OG 2.82Å; A279-S282 WeakPolarHBondContact O-CB 3.45Å; A279-S282 PolarHBondContact O-N 3.07Å; A279-S282 VanDerWaalsContact O-N 3.12Å; V280-S282 VanDerWaalsContact C-N 3.26Å; V280-S282 PolarHBondContact O-N 3.47Å; S282-R285 PolarHBondContact O-N 2.84Å; S282-V286 WeakPolarHBondContact O-CG2 3.42Å; S282-V286 PolarHBondContact O-N 3.48Å |
| 283 | V | 89.6 | Confident | 88.5 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 62% | 0.624 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 175 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | A279 V280 R285 V286 S287 | A279-V283 WeakPolarHBondContact O-CG2 3.42Å; A279-V283 PolarHBondContact O-N 2.84Å; V280-V283 PolarHBondContact O-N 3.2Å; V283-R285 VanDerWaalsContact C-N 3.33Å; V283-R285 PolarHBondContact O-N 3.47Å; V283-V286 PolarHBondContact O-N 3.3Å; V283-S287 VanDerWaalsContact O-CB 3.32Å; V283-S287 WeakPolarHBondContact O-CB 3.47Å; V283-S287 PolarHBondContact O-N 3.39Å |
| 284 | L | 88.6 | Confident | 88.4 | Confident | 110 Ų | 110 | 92.7 Ų | 92.7 | 58% | 0.576 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 174.8 | -73 | 170.5 | 0 | 0 | 0 | 111.8 | V280 S287 Q288 | V280-L284 HydrophobicContact CG1-CD1 3.95Å; V280-L284 HydrophobicContact CG1-CG 4.41Å; V280-L284 WeakPolarHBondContact O-CB 3.42Å; V280-L284 WeakPolarHBondContact O-CG 3.4Å; V280-L284 PolarHBondContact O-N 3.5Å; L284-S287 PolarHBondContact O-N 3.32Å; L284-Q288 WeakPolarHBondContact O-CB 3.36Å; L284-Q288 PolarHBondContact O-N 2.85Å |
| 285 | R | 90.9 | Very high | 88.4 | Confident | 176 Ų | 176 | 95.6 Ų | 95.6 | 66% | 0.664 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -49 | 174.7 | -175.4 | 178.2 | -175.2 | 161.1 | 5.3 | 112 | R281 S282 V283 S287 Q288 D289 | R281-R285 WeakPolarHBondContact O-CB 3.49Å; R281-R285 PolarHBondContact O-N 3.27Å; S282-R285 PolarHBondContact O-N 2.84Å; V283-R285 VanDerWaalsContact C-N 3.33Å; V283-R285 PolarHBondContact O-N 3.47Å; R285-S287 VanDerWaalsContact C-N 3.29Å; R285-S287 PolarHBondContact O-N 2.81Å; R285-Q288 WeakPolarHBondContact O-CB 3.3Å; R285-Q288 PolarHBondContact O-N 2.93Å; R285-Q288 VanDerWaalsContact O-N 3.14Å; R285-D289 PolarHBondContact O-N 3.32Å |
| 286 | V | 89.7 | Confident | 88.5 | Confident | 85 Ų | 85 | 98 Ų | 98 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | S282 V283 D289 L290 | S282-V286 WeakPolarHBondContact O-CG2 3.42Å; S282-V286 PolarHBondContact O-N 3.48Å; V283-V286 PolarHBondContact O-N 3.3Å; V286-D289 PolarHBondContact O-N 3.49Å; V286-L290 HydrophobicContact CG1-CD1 3.73Å; V286-L290 WeakPolarHBondContact O-CB 3.45Å; V286-L290 WeakPolarHBondContact O-CD1 3.24Å; V286-L290 PolarHBondContact O-N 2.82Å |
| 287 | S | 86.8 | Confident | 88.5 | Confident | 58 Ų | 58 | 99.4 Ų | 99.4 | 41% | 0.406 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.4 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | V283 L284 R285 L290 I291 | V283-S287 VanDerWaalsContact O-CB 3.32Å; V283-S287 WeakPolarHBondContact O-CB 3.47Å; V283-S287 PolarHBondContact O-N 3.39Å; L284-S287 PolarHBondContact O-N 3.32Å; R285-S287 VanDerWaalsContact C-N 3.29Å; R285-S287 PolarHBondContact O-N 2.81Å; S287-L290 PolarHBondContact O-N 3.23Å; S287-I291 WeakPolarHBondContact O-CG1 3.27Å; S287-I291 PolarHBondContact O-N 2.83Å |
| 288 | Q | 90.6 | Very high | 88.4 | Confident | 142 Ų | 142 | 100.9 Ų | 100.9 | 66% | 0.664 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 175.3 | -173.8 | 176 | 6.2 | 0 | 0 | 112.4 | L284 R285 G292 | L284-Q288 WeakPolarHBondContact O-CB 3.36Å; L284-Q288 PolarHBondContact O-N 2.85Å; R285-Q288 WeakPolarHBondContact O-CB 3.3Å; R285-Q288 PolarHBondContact O-N 2.93Å; R285-Q288 VanDerWaalsContact O-N 3.14Å; Q288-G292 PolarHBondContact O-N 2.92Å |
| 289 | D | 89.6 | Confident | 88.4 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 174.1 | -70.1 | -35.8 | 0 | 0 | 0 | 110.9 | R285 V286 G292 T293 | R285-D289 PolarHBondContact O-N 3.32Å; V286-D289 PolarHBondContact O-N 3.49Å; D289-G292 CarbonylContact O-C 3.53Å; D289-G292 WeakPolarHBondContact O-CA 3.35Å; D289-G292 PolarHBondContact O-N 3.47Å; D289-G292 VanDerWaalsContact O-N 3.16Å; D289-T293 PolarHBondContact O-N 2.99Å |
| 290 | L | 87.4 | Confident | 88.5 | Confident | 106 Ų | 106 | 105.6 Ų | 105.6 | 56% | 0.555 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -48 | 174.6 | -105.8 | 117.4 | 0 | 0 | 0 | 112.4 | V286 S287 G292 T293 E294 | V286-L290 HydrophobicContact CG1-CD1 3.73Å; V286-L290 WeakPolarHBondContact O-CB 3.45Å; V286-L290 WeakPolarHBondContact O-CD1 3.24Å; V286-L290 PolarHBondContact O-N 2.82Å; S287-L290 PolarHBondContact O-N 3.23Å; L290-G292 PolarHBondContact O-N 3.33Å; L290-T293 WeakPolarHBondContact CA-OG1 3.11Å; L290-T293 CarbonylContact O-C 3.58Å; L290-T293 WeakPolarHBondContact O-CA 3.41Å; L290-T293 PolarHBondContact O-N 2.9Å; L290-T293 PolarHBondContact O-OG1 2.76Å; L290-E294 WeakPolarHBondContact O-CB 3.17Å; L290-E294 PolarHBondContact O-N 2.64Å |
| 291 | I | 89.4 | Confident | 88.2 | Confident | 80 Ų | 80 | 104.6 Ų | 104.6 | 41% | 0.41 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.2 | -33.9 | 173.1 | -66.5 | 162.2 | 0 | 0 | 0 | 110.4 | S287 T293 K295 | S287-I291 WeakPolarHBondContact O-CG1 3.27Å; S287-I291 PolarHBondContact O-N 2.83Å; I291-T293 VanDerWaalsContact C-N 3.35Å; I291-K295 PolarHBondContact O-N 2.93Å; I291-K295 VanDerWaalsContact O-N 3.15Å |
| 292 | G | 88.8 | Confident | 88.1 | Confident | 32 Ų | 32 | 104 Ų | 104 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.3 | -28 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q288 D289 L290 K296 | Q288-G292 PolarHBondContact O-N 2.92Å; D289-G292 CarbonylContact O-C 3.53Å; D289-G292 WeakPolarHBondContact O-CA 3.35Å; D289-G292 PolarHBondContact O-N 3.47Å; D289-G292 VanDerWaalsContact O-N 3.16Å; L290-G292 PolarHBondContact O-N 3.33Å; G292-K296 WeakPolarHBondContact O-CD 3.28Å; G292-K296 WeakPolarHBondContact O-CG 3.24Å |
| 293 | T | 86.5 | Confident | 88.1 | Confident | 81 Ų | 81 | 106.5 Ų | 106.5 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -84.9 | -34.3 | 171.5 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | D289 L290 I291 K296 M297 | D289-T293 PolarHBondContact O-N 2.99Å; L290-T293 WeakPolarHBondContact CA-OG1 3.11Å; L290-T293 CarbonylContact O-C 3.58Å; L290-T293 WeakPolarHBondContact O-CA 3.41Å; L290-T293 PolarHBondContact O-N 2.9Å; L290-T293 PolarHBondContact O-OG1 2.76Å; I291-T293 VanDerWaalsContact C-N 3.35Å; T293-K296 WeakPolarHBondContact O-CB 3.18Å; T293-K296 PolarHBondContact O-N 2.69Å; T293-K296 VanDerWaalsContact O-N 3.14Å; T293-M297 PolarHBondContact O-N 3.29Å |
| 294 | E | 84.4 | Confident | 88 | Confident | 115 Ų | 115 | 107 Ų | 107 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.6 | -50 | 176.1 | -177.6 | 174.4 | -136.9 | 0 | 0 | 110.5 | L290 K296 M297 E298 | L290-E294 WeakPolarHBondContact O-CB 3.17Å; L290-E294 PolarHBondContact O-N 2.64Å; E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 PolarHBondContact O-N 2.8Å; E294-M297 CarbonylContact O-C 3.59Å; E294-M297 WeakPolarHBondContact O-CA 3.47Å; E294-M297 WeakPolarHBondContact O-CB 3.46Å; E294-M297 PolarHBondContact O-N 3.27Å; E294-E298 WeakPolarHBondContact O-CB 3.37Å; E294-E298 PolarHBondContact O-N 2.87Å |
| 295 | K | 87.4 | Confident | 87.8 | Confident | 137 Ų | 137 | 107.6 Ų | 107.6 | 60% | 0.596 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.4 | -31.4 | 174.2 | -72.2 | -176.2 | 174.8 | -172.1 | 0 | 114.1 | I291 D299 | I291-K295 PolarHBondContact O-N 2.93Å; I291-K295 VanDerWaalsContact O-N 3.15Å; K295-D299 WeakPolarHBondContact O-CB 3.28Å; K295-D299 PolarHBondContact O-N 3.41Å |
| 296 | K | 88.9 | Confident | 87.6 | Confident | 148 Ų | 148 | 104 Ų | 104 | 64% | 0.643 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -73 | -36.5 | 174 | -71.1 | 171.6 | -175.3 | 174.7 | 0 | 111.5 | G292 T293 E294 L300 | G292-K296 WeakPolarHBondContact O-CD 3.28Å; G292-K296 WeakPolarHBondContact O-CG 3.24Å; T293-K296 WeakPolarHBondContact O-CB 3.18Å; T293-K296 PolarHBondContact O-N 2.69Å; T293-K296 VanDerWaalsContact O-N 3.14Å; E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 PolarHBondContact O-N 2.8Å; K296-L300 VanDerWaalsContact O-CB 3.22Å; K296-L300 WeakPolarHBondContact O-CB 3.36Å; K296-L300 PolarHBondContact O-N 2.89Å |
| 297 | M | 86.6 | Confident | 87.4 | Confident | 128 Ų | 128 | 105.8 Ų | 105.8 | 63% | 0.631 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.1 | -39 | 174 | -172 | -174.2 | 75.7 | 0 | 0 | 111 | T293 E294 L300 T301 | T293-M297 PolarHBondContact O-N 3.29Å; E294-M297 CarbonylContact O-C 3.59Å; E294-M297 WeakPolarHBondContact O-CA 3.47Å; E294-M297 WeakPolarHBondContact O-CB 3.46Å; E294-M297 PolarHBondContact O-N 3.27Å; M297-L300 PolarHBondContact O-N 2.88Å; M297-T301 VanDerWaalsContact O-CB 3.3Å; M297-T301 WeakPolarHBondContact O-CB 3.32Å; M297-T301 PolarHBondContact O-N 2.84Å; M297-T301 PolarHBondContact O-OG1 2.95Å |
| 298 | E | 87.2 | Confident | 87.3 | Confident | 130 Ų | 130 | 107.4 Ų | 107.4 | 61% | 0.607 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.6 | -46.8 | 176.2 | -169.7 | 173.1 | -139.9 | 0 | 0 | 111.5 | E294 T301 M302 | E294-E298 WeakPolarHBondContact O-CB 3.37Å; E294-E298 PolarHBondContact O-N 2.87Å; E298-T301 WeakPolarHBondContact O-CB 3.18Å; E298-T301 PolarHBondContact O-N 2.73Å; E298-M302 PolarHBondContact O-N 2.94Å |
| 299 | D | 88.1 | Confident | 87.2 | Confident | 94 Ų | 94 | 106 Ų | 106 | 50% | 0.503 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 172.7 | -176.1 | 81.3 | 0 | 0 | 0 | 112.4 | K295 T301 M302 Q303 | K295-D299 WeakPolarHBondContact O-CB 3.28Å; K295-D299 PolarHBondContact O-N 3.41Å; D299-T301 VanDerWaalsContact C-N 3.29Å; D299-T301 PolarHBondContact O-N 3.44Å; D299-M302 PolarHBondContact O-N 3.33Å; D299-M302 VanDerWaalsContact O-N 3.17Å; D299-Q303 WeakPolarHBondContact O-CG 3.43Å; D299-Q303 PolarHBondContact O-N 3.37Å; D299-Q303 PolarHBondContact OD2-NE2 3.45Å |
| 300 | L | 88.4 | Confident | 87 | Confident | 119 Ų | 119 | 106.7 Ų | 106.7 | 62% | 0.623 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.4 | -30.7 | 177.9 | -153.9 | 156.4 | 0 | 0 | 0 | 111.9 | K296 M297 Q303 M304 | K296-L300 VanDerWaalsContact O-CB 3.22Å; K296-L300 WeakPolarHBondContact O-CB 3.36Å; K296-L300 PolarHBondContact O-N 2.89Å; M297-L300 PolarHBondContact O-N 2.88Å; L300-Q303 PolarHBondContact O-N 3.17Å; L300-M304 PolarHBondContact O-N 3.5Å |
| 301 | T | 83.8 | Confident | 86.8 | Confident | 57 Ų | 57 | 107.1 Ų | 107.1 | 35% | 0.35 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.6 | -39.4 | 172.1 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | M297 E298 D299 M304 F305 | M297-T301 VanDerWaalsContact O-CB 3.3Å; M297-T301 WeakPolarHBondContact O-CB 3.32Å; M297-T301 PolarHBondContact O-N 2.84Å; M297-T301 PolarHBondContact O-OG1 2.95Å; E298-T301 WeakPolarHBondContact O-CB 3.18Å; E298-T301 PolarHBondContact O-N 2.73Å; D299-T301 VanDerWaalsContact C-N 3.29Å; D299-T301 PolarHBondContact O-N 3.44Å; T301-M304 WeakPolarHBondContact O-CB 3.31Å; T301-M304 PolarHBondContact O-N 3.48Å; T301-F305 HydrophobicContact CG2-CD2 4.08Å; T301-F305 HydrophobicContact CG2-CE2 3.73Å; T301-F305 WeakPolarHBondContact O-CD2 3.46Å; T301-F305 PolarHBondContact O-N 2.82Å |
| 302 | M | 88.2 | Confident | 86.6 | Confident | 125 Ų | 125 | 108.3 Ų | 108.3 | 62% | 0.616 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.6 | -37.9 | 173.4 | -171.9 | 165.4 | -73.4 | 0 | 0 | 111.9 | E298 D299 M304 F305 N306 | E298-M302 PolarHBondContact O-N 2.94Å; D299-M302 PolarHBondContact O-N 3.33Å; D299-M302 VanDerWaalsContact O-N 3.17Å; M302-M304 VanDerWaalsContact C-N 3.32Å; M302-M304 PolarHBondContact O-N 3.04Å; M302-F305 PolarHBondContact O-N 2.79Å; M302-N306 VanDerWaalsContact O-CG 3.24Å; M302-N306 PolarHBondContact O-N 2.81Å; M302-N306 PolarHBondContact O-ND2 2.89Å; M302-N306 VanDerWaalsContact O-ND2 3.14Å |
| 303 | Q | 88.6 | Confident | 86.5 | Confident | 115 Ų | 115 | 112.4 Ų | 112.4 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.9 | -40 | 169.5 | -69.4 | -179.4 | 45.8 | 0 | 0 | 111.8 | D299 L300 N306 M307 | D299-Q303 WeakPolarHBondContact O-CG 3.43Å; D299-Q303 PolarHBondContact O-N 3.37Å; D299-Q303 PolarHBondContact OD2-NE2 3.45Å; L300-Q303 PolarHBondContact O-N 3.17Å; Q303-N306 PolarHBondContact O-N 3.26Å; Q303-M307 WeakPolarHBondContact O-CB 3.34Å; Q303-M307 PolarHBondContact O-N 3.24Å |
| 304 | M | 87.1 | Confident | 86.2 | Confident | 115 Ų | 115 | 110.7 Ų | 110.7 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -45.2 | 175.1 | -175.3 | -172.2 | 130.8 | 0 | 0 | 112.1 | L300 T301 M302 N306 M307 E308 | L300-M304 PolarHBondContact O-N 3.5Å; T301-M304 WeakPolarHBondContact O-CB 3.31Å; T301-M304 PolarHBondContact O-N 3.48Å; M302-M304 VanDerWaalsContact C-N 3.32Å; M302-M304 PolarHBondContact O-N 3.04Å; M304-N306 PolarHBondContact O-N 2.87Å; M304-M307 PolarHBondContact O-N 3.3Å; M304-E308 WeakPolarHBondContact O-CB 3.22Å; M304-E308 PolarHBondContact O-N 3.38Å |
| 305 | F | 86.1 | Confident | 86.1 | Confident | 122 Ų | 122 | 109 Ų | 109 | 54% | 0.535 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 176.4 | -77.1 | -54.7 | 0 | 0 | 0 | 112.8 | T301 M302 M307 E308 D309 | T301-F305 HydrophobicContact CG2-CD2 4.08Å; T301-F305 HydrophobicContact CG2-CE2 3.73Å; T301-F305 WeakPolarHBondContact O-CD2 3.46Å; T301-F305 PolarHBondContact O-N 2.82Å; M302-F305 PolarHBondContact O-N 2.79Å; F305-M307 VanDerWaalsContact C-N 3.32Å; F305-M307 PolarHBondContact O-N 3.43Å; F305-E308 PolarHBondContact O-N 2.75Å; F305-D309 PolarHBondContact O-N 3.38Å |
| 306 | N | 85.8 | Confident | 85.9 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 174 | -66.8 | -31.3 | 0 | 0 | 0 | 111.3 | M302 Q303 M304 D309 D310 | M302-N306 VanDerWaalsContact O-CG 3.24Å; M302-N306 PolarHBondContact O-N 2.81Å; M302-N306 PolarHBondContact O-ND2 2.89Å; M302-N306 VanDerWaalsContact O-ND2 3.14Å; Q303-N306 PolarHBondContact O-N 3.26Å; M304-N306 PolarHBondContact O-N 2.87Å; N306-D309 PolarHBondContact O-N 3.08Å; N306-D310 PolarHBondContact O-N 2.9Å |
| 307 | M | 85.7 | Confident | 85.7 | Confident | 122 Ų | 122 | 103.4 Ų | 103.4 | 60% | 0.601 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68 | -33.2 | 175.3 | -177.2 | 174.6 | 175.5 | 0 | 0 | 112.6 | Q303 M304 F305 M311 | Q303-M307 WeakPolarHBondContact O-CB 3.34Å; Q303-M307 PolarHBondContact O-N 3.24Å; M304-M307 PolarHBondContact O-N 3.3Å; F305-M307 VanDerWaalsContact C-N 3.32Å; F305-M307 PolarHBondContact O-N 3.43Å; M307-M311 HydrophobicContact CE-SD 4.24Å; M307-M311 WeakPolarHBondContact O-CB 3.41Å; M307-M311 VanDerWaalsContact O-CG 3.28Å; M307-M311 WeakPolarHBondContact O-CG 3.3Å; M307-M311 PolarHBondContact O-N 3.25Å |
| 308 | E | 84.6 | Confident | 85.3 | Confident | 92 Ų | 92 | 101.7 Ų | 101.7 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 173.1 | -175.7 | 172.6 | -161.2 | 0 | 0 | 111.4 | M304 F305 M311 L312 | M304-E308 WeakPolarHBondContact O-CB 3.22Å; M304-E308 PolarHBondContact O-N 3.38Å; F305-E308 PolarHBondContact O-N 2.75Å; E308-M311 PolarHBondContact O-N 2.79Å; E308-L312 HydrophobicContact CG-CD1 4.24Å; E308-L312 WeakPolarHBondContact O-CB 3.37Å; E308-L312 WeakPolarHBondContact O-CG 3.32Å; E308-L312 PolarHBondContact O-N 3.43Å |
| 309 | D | 87.9 | Confident | 84.9 | Confident | 112 Ų | 112 | 101.3 Ų | 101.3 | 60% | 0.599 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.8 | -42.7 | 175.9 | -163.5 | 54.2 | 0 | 0 | 0 | 112 | F305 N306 M311 L312 K313 | F305-D309 PolarHBondContact O-N 3.38Å; N306-D309 PolarHBondContact O-N 3.08Å; D309-M311 VanDerWaalsContact C-N 3.29Å; D309-M311 PolarHBondContact O-N 3.03Å; D309-L312 PolarHBondContact O-N 3.49Å; D309-K313 VanDerWaalsContact O-CB 3.28Å; D309-K313 WeakPolarHBondContact O-CB 3.37Å; D309-K313 PolarHBondContact O-N 2.8Å |
| 310 | D | 86.3 | Confident | 84.5 | Confident | 110 Ų | 110 | 103 Ų | 103 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.8 | -38.6 | 171 | -88.5 | -30.7 | 0 | 0 | 0 | 111.9 | N306 A314 | N306-D310 PolarHBondContact O-N 2.9Å; D310-A314 WeakPolarHBondContact O-CB 3.4Å; D310-A314 PolarHBondContact O-N 2.66Å |
| 311 | M | 84.1 | Confident | 84 | Confident | 116 Ų | 116 | 103 Ų | 103 | 57% | 0.571 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.6 | -42 | 175.2 | -78.4 | -177.8 | 62 | 0 | 0 | 112.8 | M307 E308 D309 K313 A314 V315 | M307-M311 HydrophobicContact CE-SD 4.24Å; M307-M311 WeakPolarHBondContact O-CB 3.41Å; M307-M311 VanDerWaalsContact O-CG 3.28Å; M307-M311 WeakPolarHBondContact O-CG 3.3Å; M307-M311 PolarHBondContact O-N 3.25Å; E308-M311 PolarHBondContact O-N 2.79Å; D309-M311 VanDerWaalsContact C-N 3.29Å; D309-M311 PolarHBondContact O-N 3.03Å; M311-K313 VanDerWaalsContact C-N 3.32Å; M311-K313 PolarHBondContact O-N 3.48Å; M311-A314 PolarHBondContact O-N 2.85Å; M311-V315 WeakPolarHBondContact O-CG2 3.4Å; M311-V315 PolarHBondContact O-N 2.94Å |
| 312 | L | 84.8 | Confident | 83.4 | Confident | 105 Ų | 105 | 106.3 Ų | 106.3 | 55% | 0.55 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 175.3 | -77.5 | 167.8 | 0 | 0 | 0 | 111.2 | E308 D309 V315 S316 | E308-L312 HydrophobicContact CG-CD1 4.24Å; E308-L312 WeakPolarHBondContact O-CB 3.37Å; E308-L312 WeakPolarHBondContact O-CG 3.32Å; E308-L312 PolarHBondContact O-N 3.43Å; D309-L312 PolarHBondContact O-N 3.49Å; L312-V315 PolarHBondContact O-N 3.09Å; L312-S316 PolarHBondContact O-N 2.78Å |
| 313 | K | 85.5 | Confident | 82.8 | Confident | 118 Ų | 118 | 107.8 Ų | 107.8 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 173.2 | -175.6 | -173.7 | 174 | -163.1 | 0 | 111.7 | D309 M311 V315 S316 E317 | D309-K313 VanDerWaalsContact O-CB 3.28Å; D309-K313 WeakPolarHBondContact O-CB 3.37Å; D309-K313 PolarHBondContact O-N 2.8Å; M311-K313 VanDerWaalsContact C-N 3.32Å; M311-K313 PolarHBondContact O-N 3.48Å; K313-V315 VanDerWaalsContact C-N 3.3Å; K313-V315 PolarHBondContact O-N 3.32Å; K313-S316 WeakPolarHBondContact O-CB 3.41Å; K313-S316 PolarHBondContact O-N 3.4Å; K313-S316 VanDerWaalsContact O-N 3.09Å; K313-E317 VanDerWaalsContact CE-OE1 3.23Å; K313-E317 WeakPolarHBondContact CE-OE1 3.39Å; K313-E317 WeakPolarHBondContact O-CG 3.22Å; K313-E317 PolarHBondContact O-N 2.86Å |
| 314 | A | 81.5 | Confident | 82.1 | Confident | 44 Ų | 44 | 106.6 Ų | 106.6 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D310 M311 E317 I318 | D310-A314 WeakPolarHBondContact O-CB 3.4Å; D310-A314 PolarHBondContact O-N 2.66Å; M311-A314 PolarHBondContact O-N 2.85Å; A314-E317 PolarHBondContact O-N 2.96Å; A314-I318 WeakPolarHBondContact O-CB 3.34Å; A314-I318 WeakPolarHBondContact O-CD1 3.37Å; A314-I318 VanDerWaalsContact O-CG1 3.24Å; A314-I318 WeakPolarHBondContact O-CG1 3.27Å; A314-I318 PolarHBondContact O-N 3.29Å |
| 315 | V | 82.6 | Confident | 81.2 | Confident | 81 Ų | 81 | 106.5 Ų | 106.5 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 172.6 | 170 | 0 | 0 | 0 | 0 | 111.5 | M311 L312 K313 I318 M319 | M311-V315 WeakPolarHBondContact O-CG2 3.4Å; M311-V315 PolarHBondContact O-N 2.94Å; L312-V315 PolarHBondContact O-N 3.09Å; K313-V315 VanDerWaalsContact C-N 3.3Å; K313-V315 PolarHBondContact O-N 3.32Å; V315-I318 PolarHBondContact O-N 3.21Å; V315-M319 PolarHBondContact O-N 2.91Å |
| 316 | S | 83.2 | Confident | 80.3 | Confident | 68 Ų | 68 | 107.6 Ų | 107.6 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 175.1 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | L312 K313 I318 M319 E320 | L312-S316 PolarHBondContact O-N 2.78Å; K313-S316 WeakPolarHBondContact O-CB 3.41Å; K313-S316 PolarHBondContact O-N 3.4Å; K313-S316 VanDerWaalsContact O-N 3.09Å; S316-I318 VanDerWaalsContact C-N 3.3Å; S316-I318 PolarHBondContact O-N 3.5Å; S316-M319 PolarHBondContact O-N 2.98Å; S316-E320 PolarHBondContact O-N 2.83Å |
| 317 | E | 83 | Confident | 79.5 | Confident | 99 Ų | 99 | 104.5 Ų | 104.5 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 174.4 | -70.3 | 175 | -168.7 | 0 | 0 | 111.3 | K313 A314 E320 M321 | K313-E317 VanDerWaalsContact CE-OE1 3.23Å; K313-E317 WeakPolarHBondContact CE-OE1 3.39Å; K313-E317 WeakPolarHBondContact O-CG 3.22Å; K313-E317 PolarHBondContact O-N 2.86Å; A314-E317 PolarHBondContact O-N 2.96Å; E317-E320 PolarHBondContact O-N 2.94Å; E317-M321 WeakPolarHBondContact O-CG 3.43Å; E317-M321 PolarHBondContact O-N 2.93Å |
| 318 | I | 79.3 | Confident | 78.7 | Confident | 92 Ų | 92 | 104 Ų | 104 | 47% | 0.472 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 172.6 | -71.1 | 163.9 | 0 | 0 | 0 | 112.1 | A314 V315 S316 M321 Q322 | A314-I318 WeakPolarHBondContact O-CB 3.34Å; A314-I318 WeakPolarHBondContact O-CD1 3.37Å; A314-I318 VanDerWaalsContact O-CG1 3.24Å; A314-I318 WeakPolarHBondContact O-CG1 3.27Å; A314-I318 PolarHBondContact O-N 3.29Å; V315-I318 PolarHBondContact O-N 3.21Å; S316-I318 VanDerWaalsContact C-N 3.3Å; S316-I318 PolarHBondContact O-N 3.5Å; I318-M321 HydrophobicContact CG1-CE 3.93Å; I318-M321 PolarHBondContact O-N 3.13Å; I318-Q322 PolarHBondContact O-N 3.01Å |
| 319 | M | 78.9 | Confident | 77.6 | Confident | 121 Ų | 121 | 106.8 Ų | 106.8 | 60% | 0.596 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.9 | -38.1 | 174.6 | -76.5 | -176.6 | 60 | 0 | 0 | 112.4 | V315 S316 Q322 K323 | V315-M319 PolarHBondContact O-N 2.91Å; S316-M319 PolarHBondContact O-N 2.98Å; M319-Q322 PolarHBondContact O-N 3.19Å; M319-K323 WeakPolarHBondContact O-CB 3.46Å; M319-K323 PolarHBondContact O-N 3.49Å |
| 320 | E | 79.8 | Confident | 76.4 | Confident | 131 Ų | 131 | 109.5 Ų | 109.5 | 61% | 0.612 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67 | -36.3 | 173 | -65 | -153.7 | 135.4 | 0 | 0 | 112.3 | S316 E317 K323 T324 | S316-E320 PolarHBondContact O-N 2.83Å; E317-E320 PolarHBondContact O-N 2.94Å; E320-K323 PolarHBondContact O-N 3.27Å; E320-T324 WeakPolarHBondContact O-CG2 3.24Å; E320-T324 PolarHBondContact O-N 3.29Å; E320-T324 PolarHBondContact O-OG1 3.47Å |
| 321 | M | 77 | Confident | 75.3 | Confident | 117 Ų | 117 | 109.3 Ų | 109.3 | 58% | 0.576 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -36.1 | 172.1 | -73.3 | -171.5 | -74.9 | 0 | 0 | 113.1 | E317 I318 T324 L325 | E317-M321 WeakPolarHBondContact O-CG 3.43Å; E317-M321 PolarHBondContact O-N 2.93Å; I318-M321 HydrophobicContact CG1-CE 3.93Å; I318-M321 PolarHBondContact O-N 3.13Å; M321-T324 WeakPolarHBondContact CA-OG1 3.38Å; M321-T324 PolarHBondContact O-OG1 3.47Å; M321-T324 VanDerWaalsContact O-OG1 3.1Å; M321-L325 WeakPolarHBondContact O-CB 3.34Å; M321-L325 PolarHBondContact O-N 3.44Å |
| 322 | Q | 70.9 | Confident | 74.4 | Confident | 127 Ų | 127 | 109.6 Ų | 109.6 | 59% | 0.593 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.1 | -47.8 | 170.8 | -75.3 | -169.5 | -69.2 | 0 | 0 | 111.8 | I318 M319 T324 L325 E326 | I318-Q322 PolarHBondContact O-N 3.01Å; M319-Q322 PolarHBondContact O-N 3.19Å; Q322-T324 VanDerWaalsContact C-N 3.31Å; Q322-T324 PolarHBondContact O-N 3.43Å; Q322-L325 WeakPolarHBondContact O-CB 3.26Å; Q322-L325 PolarHBondContact O-N 3.22Å; Q322-L325 VanDerWaalsContact O-N 3.07Å; Q322-E326 PolarHBondContact O-N 3.34Å; Q322-E326 VanDerWaalsContact O-N 3.09Å |
| 323 | K | 75.6 | Confident | 73.4 | Confident | 157 Ų | 157 | 113.9 Ų | 113.9 | 68% | 0.683 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.4 | -37 | -177.5 | -173.4 | 179.4 | -179 | -177.9 | 0 | 113 | M319 E320 G327 | M319-K323 WeakPolarHBondContact O-CB 3.46Å; M319-K323 PolarHBondContact O-N 3.49Å; E320-K323 PolarHBondContact O-N 3.27Å; K323-G327 PolarHBondContact O-N 3.32Å |
| 324 | T | 73.9 | Confident | 72.3 | Confident | 89 Ų | 89 | 111.7 Ų | 111.7 | 55% | 0.546 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.6 | -32.9 | 174.7 | 46 | 0 | 0 | 0 | 0 | 112.5 | E320 M321 Q322 I328 | E320-T324 WeakPolarHBondContact O-CG2 3.24Å; E320-T324 PolarHBondContact O-N 3.29Å; E320-T324 PolarHBondContact O-OG1 3.47Å; M321-T324 WeakPolarHBondContact CA-OG1 3.38Å; M321-T324 PolarHBondContact O-OG1 3.47Å; M321-T324 VanDerWaalsContact O-OG1 3.1Å; Q322-T324 VanDerWaalsContact C-N 3.31Å; Q322-T324 PolarHBondContact O-N 3.43Å; T324-I328 WeakPolarHBondContact O-CG1 3.35Å; T324-I328 PolarHBondContact O-N 2.89Å |
| 325 | L | 69.3 | Low | 71.4 | Confident | 113 Ų | 113 | 115.3 Ų | 115.3 | 59% | 0.592 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69 | -38 | 176.7 | -164.4 | 70.1 | 0 | 0 | 0 | 112.8 | M321 Q322 I328 Q329 | M321-L325 WeakPolarHBondContact O-CB 3.34Å; M321-L325 PolarHBondContact O-N 3.44Å; Q322-L325 WeakPolarHBondContact O-CB 3.26Å; Q322-L325 PolarHBondContact O-N 3.22Å; Q322-L325 VanDerWaalsContact O-N 3.07Å; L325-I328 PolarHBondContact O-N 3.31Å; L325-Q329 PolarHBondContact O-N 2.99Å |
| 326 | E | 67.3 | Low | 70.4 | Confident | 145 Ų | 145 | 118.2 Ų | 118.2 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.1 | -41 | 175.1 | -69.9 | -169.1 | 138.4 | 0 | 0 | 112.4 | Q322 I328 Q329 Y330 | Q322-E326 PolarHBondContact O-N 3.34Å; Q322-E326 VanDerWaalsContact O-N 3.09Å; E326-I328 PolarHBondContact O-N 3.46Å; E326-Q329 PolarHBondContact O-N 3.33Å; E326-Y330 PolarHBondContact O-N 3.41Å |
| 327 | G | 69.6 | Low | 69.4 | Low | 36 Ų | 36 | 121 Ų | 121 | 37% | 0.371 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -57.9 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | K323 Q329 Y330 D331 | K323-G327 PolarHBondContact O-N 3.32Å; G327-Q329 VanDerWaalsContact C-N 3.27Å; G327-Q329 PolarHBondContact O-N 3.09Å; G327-Y330 WeakPolarHBondContact O-CB 3.49Å; G327-Y330 PolarHBondContact O-N 2.95Å; G327-D331 PolarHBondContact O-N 3.49Å |
| 328 | I | 68.6 | Low | 68.3 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 57% | 0.574 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.8 | -31 | -180 | -66.6 | 166.9 | 0 | 0 | 0 | 112.2 | T324 L325 E326 | T324-I328 WeakPolarHBondContact O-CG1 3.35Å; T324-I328 PolarHBondContact O-N 2.89Å; L325-I328 PolarHBondContact O-N 3.31Å; E326-I328 PolarHBondContact O-N 3.46Å |
| 329 | Q | 60 | Low | 67.4 | Low | 149 Ų | 149 | 123.4 Ų | 123.4 | 70% | 0.696 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.4 | -29 | 173.5 | -72.8 | -162 | -3.2 | 0 | 0 | 113.3 | L325 E326 G327 | L325-Q329 PolarHBondContact O-N 2.99Å; E326-Q329 PolarHBondContact O-N 3.33Å; G327-Q329 VanDerWaalsContact C-N 3.27Å; G327-Q329 PolarHBondContact O-N 3.09Å |
| 330 | Y | 63 | Low | 66.6 | Low | 170 Ų | 170 | 123.4 Ų | 123.4 | 67% | 0.667 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74 | -47.8 | -178.2 | -151.5 | -92.4 | 0 | 0 | 0 | 111.6 | E326 G327 N332 R333 I334 | E326-Y330 PolarHBondContact O-N 3.41Å; G327-Y330 WeakPolarHBondContact O-CB 3.49Å; G327-Y330 PolarHBondContact O-N 2.95Å; Y330-N332 VanDerWaalsContact C-N 3.3Å; Y330-N332 PolarHBondContact O-N 3.07Å; Y330-R333 PolarHBondContact O-N 3.27Å; Y330-I334 HydrophobicContact CD1-CD1 4.16Å; Y330-I334 HydrophobicContact CE1-CD1 4.27Å |
| 331 | D | 64.5 | Low | 65.7 | Low | 106 Ų | 106 | 123 Ų | 123 | 57% | 0.567 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.7 | -36.1 | -179.5 | -70.2 | -24.7 | 0 | 0 | 0 | 112.6 | G327 R333 I334 L335 | G327-D331 PolarHBondContact O-N 3.49Å; D331-R333 PolarHBondContact O-N 3.4Å; D331-I334 PolarHBondContact O-N 2.77Å; D331-I334 VanDerWaalsContact O-N 3.08Å; D331-L335 PolarHBondContact O-N 3.26Å |
| 332 | N | 63.7 | Low | 64.8 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 65% | 0.647 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.1 | -29.8 | 179.5 | -144.1 | -71.5 | 0 | 0 | 0 | 112.6 | Y330 | Y330-N332 VanDerWaalsContact C-N 3.3Å; Y330-N332 PolarHBondContact O-N 3.07Å |
| 333 | R | 63.7 | Low | 64.3 | Low | 196 Ų | 196 | 121.4 Ų | 121.4 | 74% | 0.74 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.6 | -30.4 | 175.1 | -95.2 | 179.4 | 166.2 | 174.9 | -2.7 | 113.4 | Y330 D331 M337 | Y330-R333 PolarHBondContact O-N 3.27Å; D331-R333 PolarHBondContact O-N 3.4Å; R333-M337 WeakPolarHBondContact O-CE 3.47Å |
| 334 | I | 62.2 | Low | 63.6 | Low | 71 Ų | 71 | 119.7 Ų | 119.7 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -76 | -47.2 | -174.5 | -65 | 174.3 | 0 | 0 | 0 | 110.9 | Y330 D331 K336 M337 Q338 | Y330-I334 HydrophobicContact CD1-CD1 4.16Å; Y330-I334 HydrophobicContact CE1-CD1 4.27Å; D331-I334 PolarHBondContact O-N 2.77Å; D331-I334 VanDerWaalsContact O-N 3.08Å; I334-K336 PolarHBondContact O-N 3.38Å; I334-M337 PolarHBondContact O-N 3.49Å; I334-M337 VanDerWaalsContact O-N 3.11Å; I334-Q338 PolarHBondContact O-N 3.39Å |
| 335 | L | 62.5 | Low | 62.5 | Low | 121 Ų | 121 | 122.7 Ų | 122.7 | 63% | 0.634 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -57.6 | -34 | -179.6 | -79.4 | 166.6 | 0 | 0 | 0 | 113.1 | D331 Q338 N339 | D331-L335 PolarHBondContact O-N 3.26Å; L335-Q338 PolarHBondContact O-N 3.26Å; L335-N339 PolarHBondContact O-N 3.4Å |
| 336 | K | 62.6 | Low | 61.6 | Low | 141 Ų | 141 | 125.1 Ų | 125.1 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66 | -41.7 | 177.8 | -169.4 | 177.8 | 175.8 | -172 | 0 | 112.5 | I334 Q338 N339 E340 | I334-K336 PolarHBondContact O-N 3.38Å; K336-Q338 VanDerWaalsContact C-N 3.31Å; K336-Q338 PolarHBondContact O-N 3.41Å; K336-N339 PolarHBondContact O-N 3.31Å; K336-E340 WeakPolarHBondContact CE-OE1 3.48Å; K336-E340 IonicContact NZ-OE1 2.71Å; K336-E340 PolarHBondContact O-N 3.41Å |
| 337 | M | 61.8 | Low | 61.1 | Low | 127 Ų | 127 | 126.1 Ų | 126.1 | 63% | 0.626 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.8 | -28 | 179.5 | -73.6 | -175.3 | -77 | 0 | 0 | 113 | R333 I334 | R333-M337 WeakPolarHBondContact O-CE 3.47Å; I334-M337 PolarHBondContact O-N 3.49Å; I334-M337 VanDerWaalsContact O-N 3.11Å |
| 338 | Q | 59.7 | Low | 60.7 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 54% | 0.537 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70.5 | -42.1 | 177.3 | -69.9 | 175.2 | -49.2 | 0 | 0 | 112 | I334 L335 K336 E340 L341 | I334-Q338 PolarHBondContact O-N 3.39Å; L335-Q338 PolarHBondContact O-N 3.26Å; K336-Q338 VanDerWaalsContact C-N 3.31Å; K336-Q338 PolarHBondContact O-N 3.41Å; Q338-E340 VanDerWaalsContact C-N 3.31Å; Q338-E340 PolarHBondContact O-N 3.13Å; Q338-L341 PolarHBondContact O-N 3.47Å |
| 339 | N | 61.5 | Low | 60.1 | Low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.7 | -25.8 | -178.6 | -159.7 | 27.1 | 0 | 0 | 0 | 113.3 | L335 K336 L341 | L335-N339 PolarHBondContact O-N 3.4Å; K336-N339 PolarHBondContact O-N 3.31Å; N339-L341 VanDerWaalsContact C-N 3.34Å |
| 340 | E | 61.9 | Low | 59.5 | Low | 121 Ų | 121 | 130.2 Ų | 130.2 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.3 | -16.2 | 175.8 | -69.6 | 176.3 | -171.6 | 0 | 0 | 112.9 | K336 Q338 | K336-E340 WeakPolarHBondContact CE-OE1 3.48Å; K336-E340 IonicContact NZ-OE1 2.71Å; K336-E340 PolarHBondContact O-N 3.41Å; Q338-E340 VanDerWaalsContact C-N 3.31Å; Q338-E340 PolarHBondContact O-N 3.13Å |
| 341 | L | 60.1 | Low | 59 | Low | 121 Ų | 121 | 129.7 Ų | 129.7 | 63% | 0.634 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -85.2 | -43.2 | -175.3 | -160 | 76.2 | 0 | 0 | 0 | 113.7 | Q338 N339 V343 L344 | Q338-L341 PolarHBondContact O-N 3.47Å; N339-L341 VanDerWaalsContact C-N 3.34Å; L341-V343 PolarHBondContact O-N 3.25Å; L341-L344 PolarHBondContact O-N 3.32Å |
| 342 | D | 58.4 | Low | 58.5 | Low | 110 Ų | 110 | 130.7 Ų | 130.7 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.8 | -34.8 | -176.9 | -82.5 | -31.5 | 0 | 0 | 0 | 112.4 | L344 K345 | D342-L344 PolarHBondContact O-N 3.46Å; D342-K345 WeakPolarHBondContact O-CB 3.5Å; D342-K345 PolarHBondContact O-N 3.44Å |
| 343 | V | 60.8 | Low | 57.6 | Low | 101 Ų | 101 | 130.9 Ų | 130.9 | 61% | 0.612 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.5 | -25.4 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | L341 | L341-V343 PolarHBondContact O-N 3.25Å |
| 344 | L | 59.7 | Low | 56.6 | Low | 122 Ų | 122 | 131.9 Ų | 131.9 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.9 | -22.7 | 177.5 | -169.3 | 61.7 | 0 | 0 | 0 | 112.6 | L341 D342 | L341-L344 PolarHBondContact O-N 3.32Å; D342-L344 PolarHBondContact O-N 3.46Å |
| 345 | K | 52.7 | Low | 55.6 | Low | 152 Ų | 152 | 132.9 Ų | 132.9 | 66% | 0.661 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.8 | -39.1 | -164.9 | -165.8 | 176.9 | 179.9 | -176.5 | 0 | 114.1 | D342 | D342-K345 WeakPolarHBondContact O-CB 3.5Å; D342-K345 PolarHBondContact O-N 3.44Å |
| 346 | E | 49.6 | Very low | 54.5 | Low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -83.5 | -28.6 | -175.3 | -164.9 | 160.1 | -150.4 | 0 | 0 | 113.2 | V348 H349 | E346-V348 PolarHBondContact O-N 3.3Å; E346-H349 PolarHBondContact O-N 3.45Å |
| 347 | K | 57.6 | Low | 53.2 | Low | 165 Ų | 165 | 137.7 Ų | 137.7 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -59.3 | -13.8 | 171 | -79.4 | -175.8 | 174.4 | 177.5 | 0 | 114.4 | ||
| 348 | V | 59.4 | Low | 51.7 | Low | 85 Ų | 85 | 136.6 Ų | 136.6 | 52% | 0.515 | 69% | 0.685 | S | S | . | * | G | 310 helix | trans | -82.2 | -21.7 | 175.9 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | E346 | E346-V348 PolarHBondContact O-N 3.3Š|
| 349 | H | 55.8 | Low | 50.2 | Low | 151 Ų | 151 | 137.7 Ų | 137.7 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -36.3 | -178.3 | -112.4 | 37.2 | 0 | 0 | 0 | 113.6 | E346 F351 | E346-H349 PolarHBondContact O-N 3.45Å; H349-F351 PolarHBondContact O-N 3.4Å |
| 350 | D | 48.5 | Very low | 48.6 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -23.4 | 177.1 | -85.4 | -18.3 | 0 | 0 | 0 | 113.7 | ||
| 351 | F | 53 | Low | 47 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -25.7 | -173 | -167.5 | -102.5 | 0 | 0 | 0 | 114.2 | H349 V353 | H349-F351 PolarHBondContact O-N 3.4Å; F351-V353 PolarHBondContact O-N 3.29Å |
| 352 | I | 52.7 | Low | 45.6 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 65% | 0.646 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -75.4 | -12.6 | -170 | -64.5 | 177.5 | 0 | 0 | 0 | 112.5 | Y354 | I352-Y354 VanDerWaalsContact C-N 3.34Å; I352-Y354 PolarHBondContact O-N 3.45Å |
| 353 | V | 45.8 | Very low | 44.3 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -73.7 | -14.4 | -174.6 | 176.6 | 0 | 0 | 0 | 0 | 114.2 | F351 | F351-V353 PolarHBondContact O-N 3.29Š|
| 354 | Y | 43.1 | Very low | 42.9 | Very low | 217 Ų | 217 | 144.1 Ų | 144.1 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -126.1 | 13.9 | -162.9 | -138.8 | -96.7 | 0 | 0 | 0 | 118.9 | I352 | I352-Y354 VanDerWaalsContact C-N 3.34Å; I352-Y354 PolarHBondContact O-N 3.45Å |
| 355 | S | 41 | Very low | 41.7 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | trans | -147.2 | 80.6 | 177.8 | 54.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 356 | M | 38.1 | Very low | 40.8 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 94% | 0.936 | 74% | 0.743 | S | S | * | * | trans | -96.1 | 102.2 | 157.5 | -68.8 | -178.8 | 76.8 | 0 | 0 | 110.6 | ||||
| 357 | H | 35.7 | Very low | 40.2 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 80% | 0.801 | 74% | 0.738 | S | S | * | * | trans | -158.5 | 154.1 | 154.8 | -137.8 | -94 | 0 | 0 | 0 | 113.6 | ||||
| 358 | T | 31 | Very low | 39.1 | Very low | 103 Ų | 103 | 147 Ų | 147 | 63% | 0.632 | 75% | 0.747 | S | S | * | * | trans | -30.5 | 148.6 | 174.2 | 59 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 359 | T | 28.6 | Very low | 38.3 | Very low | 138 Ų | 138 | 150 Ų | 150 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | cis | -160.5 | -174.7 | 45.3 | -35.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 360 | G | 27.8 | Very low | 38 | Very low | 65 Ų | 65 | 150.9 Ų | 150.9 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | -69.4 | -172.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 361 | E | 28.6 | Very low | 37.5 | Very low | 202 Ų | 202 | 152.2 Ų | 152.2 | 94% | 0.944 | 77% | 0.77 | S | S | * | * | cis | -139.7 | -154.3 | 19.9 | -60.4 | -171.9 | 94.8 | 0 | 0 | 114 | ||||
| 362 | K | 30.7 | Very low | 37 | Very low | 176 Ų | 176 | 151.1 Ų | 151.1 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | trans | -85 | -174.5 | -178.5 | -46.7 | 179.8 | -173.1 | 169.9 | 0 | 111.1 | ||||
| 363 | E | 29.7 | Very low | 36.5 | Very low | 153 Ų | 153 | 154 Ų | 154 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | cis | -155.2 | -170.3 | 16.7 | -148.6 | 148.8 | -130.4 | 0 | 0 | 112.8 | ||||
| 364 | T | 31.9 | Very low | 36.5 | Very low | 120 Ų | 120 | 151.5 Ų | 151.5 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -75.9 | 167.5 | -163.1 | 50.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 365 | V | 33.8 | Very low | 36.5 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | 165.2 | 118.5 | 116.8 | 160.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 366 | K | 34.6 | Very low | 36.7 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | 39.1 | 128.6 | 137.9 | -61.6 | -169 | 165.3 | -146.6 | 0 | 126.4 | ||||
| 367 | E | 37.4 | Very low | 36.9 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 67% | 0.673 | 78% | 0.779 | S | S | * | * | 61.8 | 127.9 | 109.4 | -157.5 | 172.7 | -162.8 | 0 | 0 | 122.3 | |||||
| 368 | Y | 34.6 | Very low | 37.4 | Very low | 229 Ų | 229 | 142.5 Ų | 142.5 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -178.1 | 154.1 | 130.6 | -103.2 | -67.1 | 0 | 0 | 0 | 114.1 | ||||
| 369 | N | 42.7 | Very low | 38 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -100.3 | 163.6 | 167.4 | -64.7 | -69.9 | 0 | 0 | 0 | 111 | ||||
| 370 | I | 47.9 | Very low | 38.5 | Very low | 168 Ų | 168 | 151.7 Ų | 151.7 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | -154.9 | 149.3 | 128.6 | -49.2 | -170.6 | 0 | 0 | 0 | 110.6 | |||||
| 371 | E | 38.7 | Very low | 39.1 | Very low | 175 Ų | 175 | 156.3 Ų | 156.3 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -67.6 | 178.9 | 166.6 | -54.1 | 162.6 | 83.7 | 0 | 0 | 114.8 | ||||
| 372 | N | 42 | Very low | 39.6 | Very low | 137 Ų | 137 | 153.7 Ų | 153.7 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | 176.6 | 172 | 103.1 | -148.7 | -9.9 | 0 | 0 | 0 | 114.1 | |||||
| 373 | K | 43.8 | Very low | 40.2 | Very low | 187 Ų | 187 | 152.4 Ų | 152.4 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -59.5 | 169.9 | 178.9 | -60.6 | 153.2 | -171.6 | 171.5 | 0 | 114.7 | ||||
| 374 | G | 44.3 | Very low | 40.8 | Very low | 72 Ų | 72 | 152.4 Ų | 152.4 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | cis | 118.1 | 108.5 | 2.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 375 | I | 44.4 | Very low | 41.4 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 91% | 0.908 | 82% | 0.822 | S | S | * | * | trans | -171 | 158.2 | 173.9 | -119.4 | 164.8 | 0 | 0 | 0 | 108.8 | ||||
| 376 | G | 43.6 | Very low | 41.9 | Very low | 71 Ų | 71 | 156.9 Ų | 156.9 | 73% | 0.732 | 83% | 0.829 | S | S | * | * | cis | 130.3 | 104.5 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 377 | G | 42.3 | Very low | 42.5 | Very low | 78 Ų | 78 | 156.1 Ų | 156.1 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | 163.4 | 131.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 378 | D | 47.3 | Very low | 42.9 | Very low | 159 Ų | 159 | 157.1 Ų | 157.1 | 85% | 0.85 | 85% | 0.85 | S | S | * | * | trans | -65.6 | 155.7 | -166.5 | -47 | -41.2 | 0 | 0 | 0 | 118.3 | ||||
| 379 | F | 43.7 | Very low | 43.7 | Very low | 282 Ų | 282 | 150.5 Ų | 150.5 | 100% | 1.237 | 85% | 0.845 | S | S | * | * | -153.3 | 0 | 126.7 | -113.3 | -69.7 | 0 | 0 | 0 | 111 |
Retrieved 379 of 379 residues in 78.5 ms
(Link to these results)