Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q0s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLU 28.A OE2 no hydrogen 2.845 N/A SER 3.A OG HIS 25.A ND1 no hydrogen 2.984 N/A SER 3.A OG GLU 28.A OE1 no hydrogen 2.532 N/A SER 3.A OG GLU 28.A OE2 no hydrogen 3.136 N/A GLU 7.A N SER 3.A O no hydrogen 3.432 N/A ASP 8.A N ARG 4.A O no hydrogen 2.977 N/A PHE 9.A N LEU 5.A O no hydrogen 3.009 N/A ARG 10.A N LEU 6.A O no hydrogen 2.865 N/A ARG 10.A NH1 ASP 32.A OD1 no hydrogen 3.028 N/A ARG 10.A NH1 ASP 32.A OD2 no hydrogen 3.531 N/A ASN 11.A N GLU 7.A O no hydrogen 2.839 N/A ASN 12.A N PHE 9.A O no hydrogen 2.934 N/A ARG 13.A N ASP 8.A O no hydrogen 2.860 N/A LEU 17.A N PHE 14.A O no hydrogen 3.284 N/A GLN 18.A N ASP 21.A OD2 no hydrogen 2.900 N/A ARG 20.A NH1 GLU 50.A OE2 no hydrogen 3.531 N/A ASP 21.A N GLN 18.A O no hydrogen 2.976 N/A LEU 22.A N LEU 19.A O no hydrogen 2.954 N/A GLY 24.A N GLU 57.A OE2 no hydrogen 2.719 N/A HIS 25.A N LEU 22.A O no hydrogen 2.795 N/A HIS 25.A ND1 GLU 28.A OE1 no hydrogen 3.323 N/A ILE 26.A N GLU 57.A OE1 no hydrogen 3.125 N/A PHE 29.A N HIS 25.A O no hydrogen 2.934 N/A SER 30.A N ILE 26.A O no hydrogen 2.942 N/A SER 30.A OG ILE 26.A O no hydrogen 2.929 N/A GLN 31.A N GLU 28.A O no hydrogen 3.222 N/A GLN 31.A NE2 VAL 27.A O no hydrogen 3.339 N/A ASP 32.A N PHE 29.A O no hydrogen 3.044 N/A GLY 35.A N ASP 32.A OD2 no hydrogen 2.749 N/A SER 36.A N ASP 32.A O no hydrogen 2.897 N/A SER 36.A OG PHE 70.A O no hydrogen 2.685 N/A PHE 38.A N HIS 34.A O no hydrogen 2.991 N/A ILE 39.A N GLY 35.A O no hydrogen 2.941 N/A GLN 40.A N SER 36.A O no hydrogen 2.911 N/A GLN 40.A NE2 SER 36.A O no hydrogen 3.331 N/A GLN 40.A NE2 SER 36.A OG no hydrogen 3.198 N/A GLN 41.A N ARG 37.A O no hydrogen 3.004 N/A LYS 42.A N PHE 38.A O no hydrogen 3.049 N/A LYS 42.A NZ LEU 17.A O no hydrogen 3.559 N/A LEU 43.A N ILE 39.A O no hydrogen 2.893 N/A THR 47.A N GLU 50.A OE1 no hydrogen 3.021 N/A GLU 50.A N THR 47.A OG1 no hydrogen 3.167 N/A ARG 51.A N THR 47.A O no hydrogen 2.760 N/A ARG 51.A NH1 GLN 86.A OE1 no hydrogen 3.218 N/A GLN 52.A N PRO 48.A O no hydrogen 2.888 N/A MET 53.A N ALA 49.A O no hydrogen 2.915 N/A VAL 54.A N GLU 50.A O no hydrogen 3.067 N/A PHE 55.A N ARG 51.A O no hydrogen 2.836 N/A ASN 56.A N GLN 52.A O no hydrogen 2.872 N/A GLU 57.A N VAL 54.A O no hydrogen 3.015 N/A ILE 58.A N VAL 54.A O no hydrogen 3.023 N/A LEU 59.A N PHE 55.A O no hydrogen 2.860 N/A ALA 61.A N ILE 58.A O no hydrogen 3.099 N/A ALA 62.A N LEU 59.A O no hydrogen 3.352 N/A LEU 65.A N ALA 61.A O no hydrogen 2.917 N/A MET 66.A N ALA 62.A O no hydrogen 2.995 N/A ASP 68.A N LEU 65.A O no hydrogen 3.191 N/A PHE 70.A N ASP 68.A OD1 no hydrogen 3.077 N/A GLY 71.A N ASP 68.A OD1 no hydrogen 2.656 N/A ASN 72.A N ASP 68.A O no hydrogen 3.097 N/A ASN 72.A ND2 ASP 68.A O no hydrogen 2.804 N/A TYR 73.A N PHE 70.A O no hydrogen 3.178 N/A VAL 74.A N GLY 71.A O no hydrogen 3.056 N/A ILE 75.A N GLY 71.A O no hydrogen 3.246 N/A GLN 76.A N ASN 72.A O no hydrogen 3.092 N/A GLN 76.A NE2 ASN 72.A O no hydrogen 3.238 N/A LYS 77.A N TYR 73.A O no hydrogen 2.994 N/A LYS 77.A NZ GLU 44.A OE2 no hydrogen 2.900 N/A LYS 77.A NZ GLU 80.A OE1 no hydrogen 3.314 N/A PHE 78.A N VAL 74.A O no hydrogen 3.294 N/A PHE 78.A N ILE 75.A O no hydrogen 3.186 N/A PHE 79.A N ILE 75.A O no hydrogen 3.370 N/A GLU 80.A N GLN 76.A O no hydrogen 3.090 N/A GLU 80.A N LYS 77.A O no hydrogen 3.122 N/A PHE 81.A N LYS 77.A O no hydrogen 2.882 N/A GLY 82.A N PHE 78.A O no hydrogen 2.605 N/A SER 83.A N GLN 86.A OE1 no hydrogen 2.887 N/A GLN 86.A N SER 83.A OG no hydrogen 3.134 N/A GLN 86.A NE2 GLN 52.A OE1 no hydrogen 2.597 N/A LYS 87.A N SER 83.A O no hydrogen 2.998 N/A LYS 87.A NZ SER 117.A O no hydrogen 3.030 N/A LEU 88.A N LEU 84.A O no hydrogen 2.934 N/A ALA 89.A N ASP 85.A O no hydrogen 3.082 N/A LEU 90.A N GLN 86.A O no hydrogen 3.093 N/A ALA 91.A N LYS 87.A O no hydrogen 2.935 N/A THR 92.A N LEU 88.A O no hydrogen 3.050 N/A THR 92.A OG1 LEU 88.A O no hydrogen 2.869 N/A ARG 93.A N LEU 90.A O no hydrogen 2.812 N/A ILE 94.A N LEU 90.A O no hydrogen 3.266 N/A ILE 94.A N ALA 91.A O no hydrogen 2.812 N/A ARG 95.A N ALA 91.A O no hydrogen 2.892 N/A GLY 96.A N GLU 131.A OE1 no hydrogen 3.121 N/A GLY 96.A N GLU 131.A OE2 no hydrogen 2.775 N/A HIS 97.A N ILE 94.A O no hydrogen 2.838 N/A VAL 98.A N GLU 131.A OE1 no hydrogen 3.099 N/A LEU 101.A N HIS 97.A O no hydrogen 3.130 N/A ALA 102.A N VAL 98.A O no hydrogen 2.667 N/A LEU 103.A N LEU 99.A O no hydrogen 3.070 N/A LEU 103.A N PRO 100.A O no hydrogen 3.196 N/A GLN 104.A N LEU 101.A O no hydrogen 3.028 N/A TYR 106.A N GLN 104.A OE1 no hydrogen 2.810 N/A GLY 107.A N GLN 104.A OE1 no hydrogen 2.735 N/A CYS 108.A N GLN 104.A O no hydrogen 2.999 N/A CYS 108.A SG MET 105.A O no hydrogen 3.401 N/A CYS 108.A SG ASN 144.A O no hydrogen 3.939 N/A ARG 109.A N TYR 106.A O no hydrogen 3.171 N/A VAL 110.A N TYR 106.A O no hydrogen 3.405 N/A ILE 111.A N GLY 107.A O no hydrogen 3.061 N/A GLN 112.A N CYS 108.A O no hydrogen 3.073 N/A GLN 112.A NE2 CYS 108.A O no hydrogen 3.128 N/A LYS 113.A N ARG 109.A O no hydrogen 2.978 N/A LYS 113.A NZ GLU 80.A OE2 no hydrogen 2.945 N/A LYS 113.A NZ GLU 116.A OE1 no hydrogen 3.498 N/A ALA 114.A N VAL 110.A O no hydrogen 2.952 N/A LEU 115.A N ILE 111.A O no hydrogen 3.012 N/A GLU 116.A N GLN 112.A O no hydrogen 3.186 N/A SER 117.A N ALA 114.A O no hydrogen 3.069 N/A SER 117.A OG PHE 79.A O no hydrogen 2.957 N/A SER 117.A OG LYS 113.A O no hydrogen 2.820 N/A ILE 118.A N ALA 114.A O no hydrogen 2.957 N/A ASP 121.A N SER 119.A OG no hydrogen 3.123 N/A GLN 122.A N SER 119.A O no hydrogen 3.064 N/A SER 126.A N GLN 122.A O no hydrogen 3.104 N/A GLU 127.A N GLN 123.A O no hydrogen 2.677 N/A MET 128.A N VAL 124.A O no hydrogen 2.736 N/A VAL 129.A N ILE 125.A O no hydrogen 2.890 N/A LYS 130.A N SER 126.A O no hydrogen 3.330 N/A GLU 131.A N MET 128.A O no hydrogen 3.005 N/A LEU 132.A N VAL 129.A O no hydrogen 3.164 N/A ASP 133.A N LYS 130.A O no hydrogen 3.105 N/A HIS 135.A N LEU 132.A O no hydrogen 2.959 N/A CYS 139.A N HIS 135.A O no hydrogen 3.117 N/A CYS 139.A SG HIS 135.A O no hydrogen 3.570 N/A VAL 140.A N VAL 136.A O no hydrogen 2.909 N/A LYS 141.A N LEU 137.A O no hydrogen 3.012 N/A ASP 142.A N CYS 139.A O no hydrogen 3.010 N/A ASN 144.A N ASP 142.A OD1 no hydrogen 2.882 N/A ASN 144.A ND2 LEU 103.A O no hydrogen 3.164 N/A GLY 145.A N ASP 142.A OD1 no hydrogen 2.771 N/A ASN 146.A N ASP 142.A O no hydrogen 3.099 N/A ASN 146.A ND2 ASP 142.A O no hydrogen 3.009 N/A HIS 147.A N ASN 144.A O no hydrogen 3.280 N/A VAL 149.A N GLY 145.A O no hydrogen 3.060 N/A GLN 150.A N ASN 146.A O no hydrogen 2.916 N/A GLN 150.A NE2 ASN 146.A OD1 no hydrogen 3.044 N/A LYS 151.A N HIS 147.A O no hydrogen 2.960 N/A CYS 152.A N VAL 148.A O no hydrogen 2.942 N/A CYS 152.A SG VAL 148.A O no hydrogen 3.550 N/A ILE 153.A N VAL 149.A O no hydrogen 3.169 N/A GLU 154.A N GLN 150.A O no hydrogen 2.981 N/A CYS 155.A N LYS 151.A O no hydrogen 2.950 N/A CYS 155.A N CYS 152.A O no hydrogen 3.223 N/A CYS 155.A SG LEU 115.A O no hydrogen 3.785 N/A VAL 156.A N CYS 152.A O no hydrogen 2.787 N/A GLN 157.A N SER 120.A OG no hydrogen 3.271 N/A SER 160.A N GLN 157.A O no hydrogen 2.941 N/A SER 160.A OG GLN 157.A O no hydrogen 2.730 N/A LEU 161.A N PRO 158.A O no hydrogen 2.811 N/A GLN 162.A NE2 ASP 166.A OD1 no hydrogen 2.688 N/A ILE 164.A N LEU 161.A O no hydrogen 2.993 N/A ILE 165.A N LEU 161.A O no hydrogen 3.282 N/A ASP 166.A N GLN 162.A O no hydrogen 2.872 N/A ALA 167.A N PHE 163.A O no hydrogen 3.209 N/A PHE 168.A N ILE 165.A O no hydrogen 3.276 N/A LYS 169.A N ASP 166.A O no hydrogen 3.103 N/A GLY 170.A N GLU 203.A OE2 no hydrogen 2.649 N/A GLN 171.A N PHE 168.A O no hydrogen 2.878 N/A VAL 172.A N GLU 203.A OE1 no hydrogen 2.927 N/A LEU 175.A N GLN 171.A O no hydrogen 3.105 N/A SER 176.A N VAL 172.A O no hydrogen 2.934 N/A SER 176.A OG VAL 172.A O no hydrogen 2.646 N/A THR 177.A N VAL 174.A O no hydrogen 3.145 N/A THR 177.A OG1 VAL 174.A O no hydrogen 2.628 N/A HIS 178.A N LEU 175.A O no hydrogen 3.020 N/A TYR 180.A N HIS 178.A ND1 no hydrogen 3.010 N/A GLY 181.A N HIS 178.A ND1 no hydrogen 3.073 N/A CYS 182.A N HIS 178.A O no hydrogen 3.043 N/A CYS 182.A SG HIS 178.A O no hydrogen 3.451 N/A CYS 182.A SG PRO 179.A O no hydrogen 3.421 N/A ARG 183.A N TYR 180.A O no hydrogen 3.001 N/A ARG 183.A NH1 ASN 146.A OD1 no hydrogen 3.199 N/A VAL 184.A N TYR 180.A O no hydrogen 3.257 N/A ILE 185.A N GLY 181.A O no hydrogen 2.970 N/A GLN 186.A N CYS 182.A O no hydrogen 3.191 N/A GLN 186.A NE2 CYS 182.A O no hydrogen 3.105 N/A ARG 187.A N ARG 183.A O no hydrogen 3.027 N/A ARG 187.A NE GLU 190.A OE1 no hydrogen 2.830 N/A ARG 187.A NH1 GLN 150.A OE1 no hydrogen 2.982 N/A ARG 187.A NH2 GLU 190.A OE1 no hydrogen 3.441 N/A ARG 187.A NH2 GLU 190.A OE2 no hydrogen 2.917 N/A ILE 188.A N VAL 184.A O no hydrogen 2.987 N/A LEU 189.A N ILE 185.A O no hydrogen 2.989 N/A GLU 190.A N GLN 186.A O no hydrogen 3.003 N/A HIS 191.A N ARG 187.A O no hydrogen 2.934 N/A CYS 192.A N ILE 188.A O no hydrogen 3.026 N/A THR 193.A N GLN 196.A OE1 no hydrogen 2.906 N/A GLN 196.A NE2 PRO 158.A O no hydrogen 2.722 N/A GLN 196.A NE2 GLN 162.A OE1 no hydrogen 3.519 N/A THR 197.A N THR 193.A O no hydrogen 2.991 N/A THR 197.A OG1 THR 193.A O no hydrogen 3.243 N/A THR 197.A OG1 ALA 194.A O no hydrogen 3.460 N/A LEU 198.A N ALA 194.A O no hydrogen 3.201 N/A LEU 201.A N THR 197.A O no hydrogen 2.865 N/A GLU 202.A N LEU 198.A O no hydrogen 3.032 N/A GLU 203.A N PRO 199.A O no hydrogen 3.194 N/A LEU 204.A N ILE 200.A O no hydrogen 3.153 N/A HIS 205.A N LEU 201.A O no hydrogen 3.031 N/A HIS 205.A NE2 ASP 232.A OD1 no hydrogen 2.787 N/A GLN 206.A N GLU 203.A O no hydrogen 3.191 N/A HIS 207.A N LEU 204.A O no hydrogen 3.087 N/A THR 208.A OG1 LEU 204.A O no hydrogen 3.567 N/A THR 208.A OG1 HIS 205.A O no hydrogen 3.466 N/A LEU 211.A N HIS 207.A O no hydrogen 2.974 N/A VAL 212.A N THR 208.A O no hydrogen 2.917 N/A GLN 213.A NE2 GLU 209.A O no hydrogen 3.093 N/A ASP 214.A N LEU 211.A O no hydrogen 3.017 N/A TYR 216.A N ASP 214.A OD2 no hydrogen 2.920 N/A GLY 217.A N ASP 214.A OD2 no hydrogen 2.778 N/A ASN 218.A N ASP 214.A O no hydrogen 3.202 N/A ASN 218.A ND2 ASP 214.A O no hydrogen 2.818 N/A TYR 219.A N TYR 216.A O no hydrogen 2.983 N/A ILE 221.A N GLY 217.A O no hydrogen 3.199 N/A GLN 222.A N ASN 218.A O no hydrogen 3.068 N/A GLN 222.A NE2 ASN 218.A O no hydrogen 3.275 N/A HIS 223.A N TYR 219.A O no hydrogen 3.020 N/A HIS 223.A NE2 GLU 190.A OE2 no hydrogen 2.770 N/A VAL 224.A N VAL 220.A O no hydrogen 3.315 N/A LEU 225.A N ILE 221.A O no hydrogen 3.072 N/A GLU 226.A N GLN 222.A O no hydrogen 2.708 N/A HIS 227.A N HIS 223.A O no hydrogen 2.710 N/A GLY 228.A N VAL 224.A O no hydrogen 2.778 N/A GLU 231.A N GLU 231.A OE2 no hydrogen 2.835 N/A ASP 232.A N ARG 229.A O no hydrogen 3.058 N/A LYS 233.A N ARG 229.A O no hydrogen 3.064 N/A LYS 233.A NZ LEU 225.A O no hydrogen 2.768 N/A SER 234.A N PRO 230.A O no hydrogen 2.992 N/A SER 234.A OG PRO 230.A O no hydrogen 3.229 N/A SER 234.A OG GLU 268.A OE1 no hydrogen 2.802 N/A ILE 236.A N ASP 232.A O no hydrogen 3.193 N/A VAL 237.A N LYS 233.A O no hydrogen 2.880 N/A SER 238.A N SER 234.A O no hydrogen 2.958 N/A SER 238.A OG LYS 235.A O no hydrogen 2.516 N/A GLU 239.A N LYS 235.A O no hydrogen 3.275 N/A GLU 239.A N ILE 236.A O no hydrogen 3.051 N/A ILE 240.A N ILE 236.A O no hydrogen 3.145 N/A ILE 240.A N VAL 237.A O no hydrogen 2.934 N/A ARG 241.A N VAL 237.A O no hydrogen 2.996 N/A GLY 242.A N GLU 275.A OE2 no hydrogen 2.746 N/A LYS 243.A N ILE 240.A O no hydrogen 2.936 N/A LYS 243.A NZ GLU 239.A O no hydrogen 2.844 N/A VAL 244.A N GLU 275.A OE1 no hydrogen 2.853 N/A LEU 247.A N LYS 243.A O no hydrogen 2.840 N/A SER 248.A N VAL 244.A O no hydrogen 2.817 N/A SER 248.A OG VAL 244.A O no hydrogen 2.777 N/A GLN 249.A N ALA 246.A O no hydrogen 3.095 N/A HIS 250.A N LEU 247.A O no hydrogen 3.205 N/A PHE 252.A N HIS 250.A ND1 no hydrogen 3.212 N/A ALA 253.A N HIS 250.A ND1 no hydrogen 3.194 N/A SER 254.A N HIS 250.A O no hydrogen 2.986 N/A SER 254.A OG HIS 250.A O no hydrogen 2.711 N/A SER 254.A OG LYS 251.A O no hydrogen 3.191 N/A ASN 255.A N PHE 252.A O no hydrogen 3.154 N/A ASN 255.A ND2 PHE 252.A O no hydrogen 3.138 N/A VAL 257.A N ALA 253.A O no hydrogen 2.984 N/A GLU 258.A N SER 254.A O no hydrogen 3.201 N/A LYS 259.A N ASN 255.A O no hydrogen 3.168 N/A LYS 259.A NZ GLN 222.A OE1 no hydrogen 3.127 N/A CYS 260.A N VAL 256.A O no hydrogen 3.001 N/A CYS 260.A SG VAL 256.A O no hydrogen 3.361 N/A VAL 261.A N VAL 257.A O no hydrogen 3.072 N/A THR 262.A N GLU 258.A O no hydrogen 3.008 N/A THR 262.A OG1 GLU 258.A O no hydrogen 3.229 N/A HIS 263.A N LYS 259.A O no hydrogen 2.857 N/A SER 265.A N GLU 268.A OE2 no hydrogen 3.236 N/A GLU 268.A N SER 265.A OG no hydrogen 3.169 N/A ARG 269.A N SER 265.A O no hydrogen 2.802 N/A ARG 269.A NH1 VAL 261.A O no hydrogen 3.068 N/A ALA 270.A N ARG 266.A O no hydrogen 3.068 N/A LEU 271.A N ALA 267.A O no hydrogen 3.350 N/A LEU 272.A N GLU 268.A O no hydrogen 3.078 N/A ILE 273.A N ARG 269.A O no hydrogen 3.070 N/A ASP 274.A N ALA 270.A O no hydrogen 2.704 N/A VAL 276.A N ILE 273.A O no hydrogen 3.011 N/A CYS 278.A N ASP 274.A O no hydrogen 3.141 N/A CYS 278.A SG ASP 274.A OD1 no hydrogen 3.249 N/A ASN 280.A ND2 GLY 282.A O no hydrogen 3.539 N/A ASN 280.A ND2 HIS 284.A O no hydrogen 2.612 N/A TYR 288.A N SER 285.A O no hydrogen 2.827 N/A MET 290.A N ALA 286.A O no hydrogen 3.169 N/A MET 291.A N LEU 287.A O no hydrogen 2.972 N/A LYS 292.A NZ TYR 288.A OH no hydrogen 3.527 N/A ASP 293.A N MET 290.A O no hydrogen 3.333 N/A TYR 295.A N ASP 293.A OD2 no hydrogen 2.987 N/A ALA 296.A N ASP 293.A OD2 no hydrogen 2.837 N/A ASN 297.A ND2 ASP 293.A O no hydrogen 2.803 N/A TYR 298.A N TYR 295.A O no hydrogen 2.951 N/A VAL 300.A N ALA 296.A O no hydrogen 3.002 N/A GLN 301.A N ASN 297.A O no hydrogen 3.315 N/A LYS 302.A N TYR 298.A O no hydrogen 3.281 N/A LYS 302.A N VAL 299.A O no hydrogen 2.885 N/A MET 303.A N VAL 299.A O no hydrogen 2.940 N/A ILE 304.A N VAL 300.A O no hydrogen 3.139 N/A MET 306.A N LYS 302.A O no hydrogen 3.067 N/A ALA 307.A N MET 303.A O no hydrogen 2.776 N/A GLN 311.A NE2 ALA 270.A O no hydrogen 2.922 N/A ARG 312.A N GLU 308.A O no hydrogen 2.961 N/A ARG 312.A NE ILE 304.A O no hydrogen 2.681 N/A LYS 313.A N PRO 309.A O no hydrogen 3.176 N/A ILE 315.A N GLN 311.A O no hydrogen 2.965 N/A MET 316.A N ARG 312.A O no hydrogen 3.006 N/A HIS 317.A N LYS 313.A O no hydrogen 3.163 N/A LYS 318.A N ILE 314.A O no hydrogen 2.891 N/A LYS 318.A NZ CYS 277.A O no hydrogen 2.730 N/A ILE 319.A N ILE 315.A O no hydrogen 3.165 N/A HIS 322.A N ILE 319.A O no hydrogen 3.311 N/A ILE 323.A N ARG 320.A O no hydrogen 3.439 N/A THR 325.A OG1 HIS 322.A O no hydrogen 2.678 N/A LEU 326.A N ILE 323.A O no hydrogen 2.870 N/A LYS 328.A NZ THR 325.A O no hydrogen 3.297 N/A ILE 335.A N GLY 332.A O no hydrogen 2.936 N/A LYS 338.A NZ ASP 305.A OD1 no hydrogen 3.302 N/A LYS 338.A NZ ASP 305.A OD2 no hydrogen 2.991 N/A LEU 339.A N ILE 335.A O no hydrogen 3.204 N/A GLU 340.A N ALA 337.A O no hydrogen 2.921 N/A LYS 341.A N LYS 338.A O no hydrogen 3.422 N/A