Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k1l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 231.A O no hydrogen 2.717 N/A ARG 8.A NH1 GLU 5.A OE1 no hydrogen 3.190 N/A MET 11.A N ARG 8.A O no hydrogen 2.952 N/A LEU 12.A N PRO 9.A O no hydrogen 3.265 N/A GLN 13.A N GLU 10.A O no hydrogen 3.071 N/A GLY 14.A N GLY 38.A O no hydrogen 2.996 N/A LYS 15.A N LEU 12.A O no hydrogen 3.012 N/A LYS 16.A N ASP 94.A OD2 no hydrogen 2.715 N/A LYS 16.A NZ MET 90.A O no hydrogen 3.056 N/A LYS 16.A NZ GLY 91.A O no hydrogen 2.835 N/A VAL 17.A N HIS 40.A O no hydrogen 2.946 N/A ILE 18.A N MET 95.A O no hydrogen 2.942 N/A VAL 19.A N VAL 42.A O no hydrogen 3.105 N/A THR 20.A N ILE 97.A O no hydrogen 3.041 N/A THR 20.A OG1 ILE 97.A O no hydrogen 3.549 N/A ALA 22.A N THR 44.A O no hydrogen 2.858 N/A ARG 28.A N LYS 24.A O no hydrogen 3.207 N/A ARG 28.A NH1 SER 23.A O no hydrogen 3.324 N/A GLU 29.A N GLY 25.A O no hydrogen 3.210 N/A MET 30.A N ILE 26.A O no hydrogen 2.857 N/A ALA 31.A N GLY 27.A O no hydrogen 3.099 N/A TYR 32.A N ARG 28.A O no hydrogen 3.140 N/A HIS 33.A N GLU 29.A O no hydrogen 3.035 N/A HIS 33.A NE2 GLU 219.A O no hydrogen 2.694 N/A LEU 34.A N MET 30.A O no hydrogen 2.945 N/A ALA 35.A N ALA 31.A O no hydrogen 2.894 N/A LYS 36.A N TYR 32.A O no hydrogen 3.077 N/A MET 37.A N HIS 33.A O no hydrogen 3.164 N/A MET 37.A N LEU 34.A O no hydrogen 3.198 N/A GLY 38.A N ALA 35.A O no hydrogen 2.868 N/A ALA 39.A N LEU 34.A O no hydrogen 3.026 N/A HIS 40.A N LYS 15.A O no hydrogen 2.825 N/A HIS 40.A ND1 SER 65.A OG no hydrogen 2.737 N/A VAL 41.A N SER 65.A O no hydrogen 2.991 N/A VAL 42.A N VAL 17.A O no hydrogen 3.021 N/A VAL 43.A N HIS 67.A O no hydrogen 2.879 N/A THR 44.A N VAL 19.A O no hydrogen 3.182 N/A THR 44.A OG1 ILE 69.A O no hydrogen 2.661 N/A LYS 48.A NZ GLU 49.A OE1 no hydrogen 3.462 N/A THR 50.A OG1 SER 47.A O no hydrogen 3.011 N/A LEU 51.A N SER 47.A O no hydrogen 2.970 N/A GLN 52.A N LYS 48.A O no hydrogen 2.930 N/A LYS 53.A N GLU 49.A O no hydrogen 3.290 N/A VAL 54.A N THR 50.A O no hydrogen 2.978 N/A VAL 55.A N LEU 51.A O no hydrogen 3.031 N/A SER 56.A N GLN 52.A O no hydrogen 3.087 N/A SER 56.A OG.B GLN 52.A O no hydrogen 3.545 N/A SER 56.A OG.B LYS 53.A O no hydrogen 2.720 N/A HIS 57.A N LYS 53.A O no hydrogen 3.090 N/A CYS 58.A N VAL 54.A O no hydrogen 2.856 N/A CYS 58.A SG VAL 54.A O no hydrogen 3.306 N/A LEU 59.A N VAL 55.A O no hydrogen 2.965 N/A GLU 60.A N SER 56.A O no hydrogen 3.179 N/A LEU 61.A N HIS 57.A O no hydrogen 2.931 N/A GLY 62.A N LEU 59.A O no hydrogen 3.209 N/A ALA 63.A N CYS 58.A O no hydrogen 3.051 N/A ALA 64.A N ALA 39.A O no hydrogen 2.877 N/A SER 65.A OG HIS 40.A ND1 no hydrogen 2.737 N/A HIS 67.A N VAL 41.A O no hydrogen 3.086 N/A ILE 69.A N VAL 43.A O no hydrogen 3.119 N/A GLY 71.A N ALA 45.A O no hydrogen 3.092 N/A THR 72.A OG1 GLU 74.A OE2 no hydrogen 2.592 N/A GLU 74.A N THR 72.A OG1 no hydrogen 3.245 N/A ASP 75.A N THR 72.A O no hydrogen 3.109 N/A THR 77.A N ASP 75.A OD1 no hydrogen 3.169 N/A PHE 78.A N ASP 75.A OD1 no hydrogen 3.265 N/A ALA 79.A N ASP 75.A O no hydrogen 3.156 N/A GLU 80.A N MET 76.A O no hydrogen 3.228 N/A GLN 81.A N THR 77.A O no hydrogen 2.991 N/A PHE 82.A N PHE 78.A O no hydrogen 2.672 N/A GLN 85.A N GLN 81.A O no hydrogen 3.031 N/A ALA 86.A N PHE 82.A O no hydrogen 2.802 N/A GLY 87.A N VAL 83.A O no hydrogen 2.925 N/A LYS 88.A N ALA 84.A O no hydrogen 2.991 N/A LEU 89.A N GLN 85.A O no hydrogen 3.021 N/A MET 90.A N ALA 86.A O no hydrogen 3.235 N/A GLY 92.A N GLY 87.A O no hydrogen 2.906 N/A ASP 94.A N LYS 16.A O no hydrogen 2.799 N/A MET 95.A N LYS 16.A O no hydrogen 3.141 N/A LEU 96.A N SER 144.A O no hydrogen 2.915 N/A ILE 97.A N ILE 18.A O no hydrogen 2.877 N/A LEU 98.A N VAL 146.A O no hydrogen 2.796 N/A ASN 99.A N THR 20.A OG1 no hydrogen 2.969 N/A HIS 100.A N THR 20.A OG1 no hydrogen 3.247 N/A THR 102.A N ASN 123.A OD1 no hydrogen 2.803 N/A SER 105.A OG ASN 107.A OD1 no hydrogen 2.931 N/A ASN 107.A N MET 159.A O no hydrogen 3.029 N/A ILE 113.A N ASP 111.A O no hydrogen 2.893 N/A HIS 115.A N ASP 112.A OD1 no hydrogen 3.002 N/A VAL 116.A N ASP 112.A O no hydrogen 3.309 N/A ARG 117.A N ILE 113.A O no hydrogen 2.904 N/A LYS 118.A N HIS 114.A O no hydrogen 2.844 N/A LYS 118.A NZ GLU 74.A OE1 no hydrogen 2.748 N/A SER 119.A N HIS 115.A O no hydrogen 2.890 N/A SER 119.A OG HIS 115.A O no hydrogen 2.861 N/A MET 120.A N VAL 116.A O no hydrogen 2.988 N/A GLU 121.A N ARG 117.A O no hydrogen 2.844 N/A VAL 122.A N LYS 118.A O no hydrogen 2.907 N/A ASN 123.A N SER 119.A O no hydrogen 2.799 N/A ASN 123.A ND2 SER 166.A OG no hydrogen 3.106 N/A PHE 124.A N MET 120.A O no hydrogen 3.257 N/A LEU 125.A N MET 120.A O no hydrogen 2.843 N/A SER 126.A N GLU 121.A O no hydrogen 2.938 N/A SER 126.A OG VAL 122.A O no hydrogen 2.564 N/A TYR 127.A OH HIS 100.A O no hydrogen 2.677 N/A VAL 128.A N PHE 124.A O no hydrogen 3.308 N/A VAL 129.A N LEU 125.A O no hydrogen 3.014 N/A LEU 130.A N SER 126.A O no hydrogen 2.835 N/A THR 131.A N TYR 127.A O no hydrogen 2.971 N/A THR 131.A OG1 TYR 127.A O no hydrogen 2.761 N/A VAL 132.A N VAL 128.A O no hydrogen 2.916 N/A ALA 133.A N VAL 129.A O no hydrogen 3.078 N/A ALA 134.A N LEU 130.A O no hydrogen 2.965 N/A ALA 134.A N THR 131.A O no hydrogen 3.158 N/A LEU 135.A N THR 131.A O no hydrogen 2.899 N/A LEU 138.A N ALA 134.A O no hydrogen 3.052 N/A LYS 139.A N LEU 135.A O no hydrogen 2.719 N/A GLN 140.A N PRO 136.A O no hydrogen 3.174 N/A SER 141.A N MET 137.A O no hydrogen 3.140 N/A SER 141.A OG LEU 93.A O no hydrogen 2.731 N/A SER 141.A OG MET 137.A O no hydrogen 3.378 N/A SER 141.A OG LEU 138.A O no hydrogen 3.387 N/A ASN 142.A N LYS 139.A O no hydrogen 3.473 N/A GLY 143.A N LEU 138.A O no hydrogen 2.725 N/A SER 144.A N ASP 94.A O no hydrogen 2.935 N/A SER 144.A OG SER 189.A OG no hydrogen 2.798 N/A ILE 145.A N SER 189.A O no hydrogen 2.780 N/A VAL 146.A N LEU 96.A O no hydrogen 2.860 N/A VAL 147.A N THR 191.A O no hydrogen 2.782 N/A VAL 148.A N LEU 98.A O no hydrogen 2.943 N/A SER 149.A N CYS 193.A O no hydrogen 2.666 N/A SER 150.A N SER 149.A OG no hydrogen 2.687 N/A SER 150.A OG TYR 163.A OH no hydrogen 2.638 N/A LEU 151.A N LEU 195.A O no hydrogen 2.994 N/A GLY 153.A N SER 150.A O no hydrogen 2.790 N/A LYS 154.A N LEU 151.A O no hydrogen 2.914 N/A LYS 154.A NZ ASP 171.A OD2 no hydrogen 2.812 N/A LYS 154.A NZ GLU 235.A OE1 no hydrogen 2.805 N/A VAL 155.A N LEU 151.A O no hydrogen 2.968 N/A TYR 163.A OH SER 150.A OG no hydrogen 2.638 N/A SER 164.A N VAL 160.A O no hydrogen 2.769 N/A SER 164.A OG ALA 152.A O no hydrogen 2.717 N/A ALA 165.A N ALA 161.A O no hydrogen 2.949 N/A SER 166.A N ALA 162.A O no hydrogen 3.155 N/A SER 166.A OG TYR 163.A O no hydrogen 2.652 N/A LYS 167.A N TYR 163.A O no hydrogen 3.030 N/A LYS 167.A NZ VAL 148.A O no hydrogen 2.768 N/A PHE 168.A N SER 164.A O no hydrogen 2.870 N/A ALA 169.A N ALA 165.A O no hydrogen 2.953 N/A LEU 170.A N SER 166.A O no hydrogen 3.168 N/A ASP 171.A N LYS 167.A O no hydrogen 3.325 N/A GLY 172.A N PHE 168.A O no hydrogen 3.084 N/A PHE 173.A N ALA 169.A O no hydrogen 2.845 N/A PHE 174.A N LEU 170.A O no hydrogen 2.809 N/A SER 175.A N ASP 171.A O no hydrogen 2.916 N/A SER 175.A OG ASP 171.A O no hydrogen 2.780 N/A SER 175.A OG ASP 171.A OD1 no hydrogen 2.688 N/A SER 176.A N GLY 172.A O no hydrogen 3.215 N/A SER 176.A OG.B GLY 172.A O no hydrogen 2.680 N/A ILE 177.A N PHE 173.A O no hydrogen 3.045 N/A ARG 178.A N PHE 174.A O no hydrogen 3.019 N/A ARG 178.A NE ILE 190.A O no hydrogen 3.085 N/A ARG 178.A NH2 ILE 190.A O no hydrogen 2.866 N/A LYS 179.A N SER 175.A O no hydrogen 3.431 N/A LYS 179.A NZ GLU 257.A OE2 no hydrogen 2.923 N/A GLU 180.A N SER 176.A O no hydrogen 3.156 N/A TYR 181.A N ILE 177.A O no hydrogen 2.842 N/A SER 182.A N ARG 178.A O no hydrogen 3.084 N/A VAL 183.A N LYS 179.A O no hydrogen 3.218 N/A SER 184.A N GLU 180.A O no hydrogen 2.953 N/A SER 184.A OG.A GLU 180.A O no hydrogen 3.211 N/A SER 184.A OG.B GLU 180.A O no hydrogen 2.644 N/A VAL 186.A N TYR 181.A O no hydrogen 2.841 N/A SER 189.A N GLY 143.A O no hydrogen 3.034 N/A THR 191.A N ILE 145.A O no hydrogen 2.815 N/A THR 191.A OG1 GLN 233.A O no hydrogen 2.603 N/A LEU 192.A N GLU 234.A O no hydrogen 2.811 N/A CYS 193.A N VAL 147.A O no hydrogen 2.823 N/A VAL 194.A N VAL 236.A O no hydrogen 2.671 N/A LEU 195.A N SER 149.A O no hydrogen 3.195 N/A GLY 196.A N TYR 238.A O no hydrogen 2.830 N/A ASP 199.A N ALA 216.A O no hydrogen 2.961 N/A THR 200.A N ILE 198.A O no hydrogen 2.793 N/A ALA 203.A N THR 200.A OG1 no hydrogen 3.284 N/A MET 204.A N THR 200.A O no hydrogen 2.894 N/A LYS 205.A N GLU 201.A O no hydrogen 3.109 N/A ALA 206.A N THR 202.A O no hydrogen 2.995 N/A VAL 207.A N ALA 203.A O no hydrogen 2.960 N/A SER 208.A N LYS 205.A O no hydrogen 3.332 N/A SER 208.A OG LYS 205.A O no hydrogen 2.741 N/A GLY 209.A N HIS 212.A NE2 no hydrogen 2.955 N/A ILE 210.A N VAL 207.A O no hydrogen 2.890 N/A VAL 211.A N VAL 207.A O no hydrogen 2.887 N/A ALA 215.A N LEU 197.A O no hydrogen 3.173 N/A ALA 216.A N LEU 197.A O no hydrogen 2.959 N/A LYS 218.A N ASP 199.A OD1 no hydrogen 2.787 N/A LYS 218.A NZ GLU 29.A OE1 no hydrogen 3.341 N/A LYS 218.A NZ GLU 219.A OE2 no hydrogen 2.713 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.782 N/A CYS 221.A N PRO 217.A O no hydrogen 3.213 N/A ALA 222.A N LYS 218.A O no hydrogen 3.151 N/A LEU 223.A N GLU 219.A O no hydrogen 3.322 N/A GLU 224.A N GLU 220.A O no hydrogen 2.996 N/A ILE 225.A N CYS 221.A O no hydrogen 3.066 N/A ILE 226.A N ALA 222.A O no hydrogen 3.157 N/A LYS 227.A N LEU 223.A O no hydrogen 2.875 N/A LYS 227.A NZ GLU 224.A OE1 no hydrogen 3.130 N/A GLY 228.A N GLU 224.A O no hydrogen 3.018 N/A GLY 229.A N ILE 225.A O no hydrogen 3.089 N/A ALA 230.A N ILE 226.A O no hydrogen 2.823 N/A LEU 231.A N LYS 227.A O no hydrogen 2.888 N/A ARG 232.A N GLY 229.A O no hydrogen 3.032 N/A ARG 232.A NH1 ASN 142.A O no hydrogen 3.010 N/A ARG 232.A NH1 GLY 143.A O no hydrogen 3.409 N/A ARG 232.A NH2 ASN 142.A O no hydrogen 3.342 N/A ARG 232.A NH2 GLY 143.A O no hydrogen 3.276 N/A GLN 233.A N GLY 228.A O no hydrogen 3.001 N/A VAL 236.A N LEU 192.A O no hydrogen 3.020 N/A TYR 238.A N VAL 194.A O no hydrogen 2.925 N/A TYR 238.A OH GLU 220.A OE1 no hydrogen 2.595 N/A SER 240.A OG GLN 214.A O no hydrogen 2.853 N/A SER 240.A OG GLN 214.A OE1 no hydrogen 3.400 N/A SER 241.A N ASP 239.A OD2 no hydrogen 3.244 N/A TRP 243.A N SER 241.A OG no hydrogen 3.276 N/A THR 244.A OG1 ASP 239.A OD2 no hydrogen 2.836 N/A LEU 247.A N TRP 243.A O no hydrogen 2.962 N/A ILE 248.A N THR 244.A O no hydrogen 2.711 N/A ARG 253.A NE GLU 257.A OE1 no hydrogen 2.777 N/A ARG 253.A NH1 ASP 171.A OD1 no hydrogen 3.493 N/A ARG 253.A NH1 ASP 171.A OD2 no hydrogen 2.912 N/A ARG 253.A NH2 ASP 171.A OD1 no hydrogen 2.871 N/A LYS 254.A N ASN 250.A O no hydrogen 3.098 N/A LYS 254.A NZ GLU 234.A OE2 no hydrogen 3.314 N/A ILE 255.A N PRO 251.A O no hydrogen 2.699 N/A LEU 256.A N SER 252.A O no hydrogen 2.997 N/A GLU 257.A N ARG 253.A O no hydrogen 2.987 N/A PHE 258.A N LYS 254.A O no hydrogen 3.196 N/A LEU 259.A N ILE 255.A O no hydrogen 2.882 N/A TYR 260.A N LEU 256.A O no hydrogen 2.811 N/A SER 261.A N PHE 258.A O no hydrogen 3.280 N/A SER 261.A OG PHE 258.A O no hydrogen 2.644 N/A THR 262.A OG1 LEU 259.A O no hydrogen 3.168 N/A