Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jwo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 13.A N LYS 346.A O no hydrogen 2.854 N/A THR 16.A OG1 ASP 66.A OD2 no hydrogen 3.009 N/A LEU 19.A N GLN 70.A OE1 no hydrogen 3.304 N/A PHE 20.A N CYS 112.A O no hydrogen 3.228 N/A CYS 21.A SG ALA 40.A O no hydrogen 2.946 N/A ALA 22.A N HIS 110.A O no hydrogen 2.828 N/A SER 23.A N VAL 42.A O no hydrogen 2.969 N/A LYS 26.A N ASN 34.A OD1 no hydrogen 3.084 N/A ASP 29.A N LYS 26.A O no hydrogen 3.329 N/A GLU 31.A N ASP 29.A OD1 no hydrogen 3.147 N/A VAL 32.A N SER 103.A O no hydrogen 3.512 N/A HIS 33.A N GLU 31.A OE1 no hydrogen 2.978 N/A ASN 34.A N GLU 31.A OE2 no hydrogen 3.325 N/A ASN 34.A ND2 GLU 31.A OE2 no hydrogen 2.780 N/A VAL 35.A N GLU 31.A O no hydrogen 2.952 N/A TRP 36.A N VAL 32.A O no hydrogen 2.835 N/A ALA 37.A N HIS 33.A O no hydrogen 2.817 N/A THR 38.A N ASN 34.A O no hydrogen 2.964 N/A THR 38.A OG1 ASN 34.A O no hydrogen 2.740 N/A THR 38.A OG1 VAL 35.A O no hydrogen 2.561 N/A HIS 39.A N VAL 35.A O no hydrogen 3.539 N/A ALA 40.A N ALA 37.A O no hydrogen 3.138 N/A CYS 41.A SG ALA 40.A O no hydrogen 2.895 N/A VAL 42.A N CYS 21.A O no hydrogen 2.904 N/A THR 44.A OG1 SER 23.A O no hydrogen 3.304 N/A THR 44.A OG1 ASP 24.A OD1 no hydrogen 2.578 N/A VAL 51.A N THR 138.A O no hydrogen 3.022 N/A GLU 58.A N CYS 133.A O no hydrogen 3.047 N/A PHE 60.A N GLY 131.A O no hydrogen 2.908 N/A MET 62.A N GLY 129.A O no hydrogen 3.033 N/A LYS 64.A N ASN 61.A O no hydrogen 2.922 N/A ASN 65.A ND2 LEU 339.A O no hydrogen 3.170 N/A MET 67.A N ASN 65.A OD1 no hydrogen 3.158 N/A VAL 68.A N ASN 65.A O no hydrogen 2.946 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.935 N/A GLN 70.A NE2 THR 17.A O no hydrogen 2.827 N/A MET 71.A N MET 67.A O no hydrogen 3.083 N/A HIS 72.A N VAL 68.A O no hydrogen 2.850 N/A GLU 73.A N GLU 69.A O no hydrogen 3.304 N/A ASP 74.A N GLN 70.A O no hydrogen 3.245 N/A ILE 75.A N MET 71.A O no hydrogen 2.966 N/A ILE 76.A N HIS 72.A O no hydrogen 2.965 N/A SER 77.A N GLU 73.A O no hydrogen 2.942 N/A LEU 78.A N ILE 75.A O no hydrogen 3.229 N/A TRP 79.A N ILE 75.A O no hydrogen 3.139 N/A ASP 80.A N ILE 76.A O no hydrogen 3.113 N/A GLN 81.A N LEU 78.A O no hydrogen 3.246 N/A GLN 81.A NE2 SER 77.A O no hydrogen 3.067 N/A SER 82.A N TRP 79.A O no hydrogen 3.235 N/A SER 82.A OG LEU 78.A O no hydrogen 2.841 N/A LYS 84.A NZ ASP 80.A O no hydrogen 3.179 N/A CYS 86.A N MET 290.A O no hydrogen 2.676 N/A VAL 87.A N MET 290.A O no hydrogen 3.240 N/A LYS 88.A N ILE 95.A O no hydrogen 2.994 N/A LEU 89.A N LYS 288.A O no hydrogen 2.988 N/A THR 90.A N SER 93.A O no hydrogen 3.013 N/A SER 93.A N THR 90.A O no hydrogen 3.225 N/A ILE 95.A N LYS 88.A O no hydrogen 3.119 N/A GLN 97.A N CYS 86.A O no hydrogen 3.162 N/A GLN 97.A NE2 PRO 85.A O no hydrogen 2.972 N/A LYS 101.A NZ GLU 246.A OE1 no hydrogen 3.324 N/A LYS 101.A NZ ALA 292.A O no hydrogen 3.262 N/A GLU 105.A N GLU 31.A OE1 no hydrogen 3.439 N/A ILE 109.A N ILE 145.A O no hydrogen 3.062 N/A HIS 110.A N ALA 22.A O no hydrogen 2.920 N/A HIS 110.A ND1 THR 142.A O no hydrogen 3.051 N/A TYR 111.A N THR 142.A OG1 no hydrogen 2.803 N/A TYR 111.A OH ASP 74.A OD2 no hydrogen 2.786 N/A CYS 112.A N PHE 20.A O no hydrogen 2.798 N/A CYS 112.A SG HIS 110.A O no hydrogen 3.796 N/A ALA 113.A N GLN 140.A O no hydrogen 3.003 N/A PHE 117.A N PRO 114.A O no hydrogen 3.377 N/A ALA 118.A N VAL 345.A O no hydrogen 2.965 N/A ILE 119.A N VAL 139.A O no hydrogen 3.422 N/A LEU 120.A N LYS 343.A O no hydrogen 2.868 N/A LYS 121.A N SER 137.A O no hydrogen 2.762 N/A CYS 122.A N LYS 341.A O no hydrogen 2.881 N/A ASN 123.A N ASN 135.A O no hydrogen 2.987 N/A ASN 123.A ND2 SER 137.A OG no hydrogen 3.384 N/A ASN 124.A ND2 THR 126.A O no hydrogen 3.445 N/A THR 126.A N ASN 124.A OD1 no hydrogen 3.179 N/A THR 126.A OG1 GLU 162.A OE1 no hydrogen 3.151 N/A THR 130.A N ASN 128.A OD1 no hydrogen 2.964 N/A GLY 131.A N PHE 60.A O no hydrogen 3.267 N/A CYS 133.A N GLU 58.A O no hydrogen 2.591 N/A SER 137.A OG ASN 123.A OD1 no hydrogen 3.104 N/A THR 138.A N VAL 51.A O no hydrogen 3.128 N/A VAL 139.A N ILE 119.A O no hydrogen 2.959 N/A THR 142.A N TYR 111.A O no hydrogen 2.910 N/A THR 142.A OG1 HIS 143.A O no hydrogen 3.207 N/A HIS 143.A N HIS 143.A ND1 no hydrogen 2.992 N/A HIS 143.A N TYR 342.A OH no hydrogen 3.135 N/A HIS 143.A NE2 GLU 338.A OE1 no hydrogen 2.726 N/A ILE 145.A N ILE 109.A O no hydrogen 2.948 N/A VAL 148.A N ARG 146.A O no hydrogen 2.784 N/A SER 150.A OG LEU 153.A O no hydrogen 2.862 N/A SER 151.A N TRP 240.A O no hydrogen 2.932 N/A SER 151.A OG GLU 235.A O no hydrogen 2.690 N/A SER 151.A OG THR 238.A O no hydrogen 3.254 N/A SER 151.A OG TRP 240.A O no hydrogen 3.492 N/A GLN 152.A N GLY 327.A O no hydrogen 2.803 N/A GLN 152.A NE2 ILE 236.A O no hydrogen 2.887 N/A GLN 152.A NE2 VAL 237.A O no hydrogen 2.893 N/A LEU 153.A N SER 151.A O no hydrogen 2.547 N/A LEU 154.A N GLY 307.A O no hydrogen 2.812 N/A ASN 156.A N ASN 304.A O no hydrogen 2.870 N/A SER 158.A N GLU 338.A OE2 no hydrogen 2.854 N/A SER 158.A OG HIS 143.A NE2 no hydrogen 3.245 N/A SER 158.A OG GLU 338.A OE1 no hydrogen 2.801 N/A SER 158.A OG GLU 338.A OE2 no hydrogen 3.184 N/A ALA 160.A N LEU 182.A O no hydrogen 2.829 N/A VAL 165.A N GLN 181.A O no hydrogen 2.984 N/A ARG 167.A N ILE 179.A O no hydrogen 2.823 N/A ARG 167.A NE PHE 127.A O no hydrogen 3.107 N/A ARG 167.A NH1 GLN 181.A OE1 no hydrogen 2.792 N/A ARG 167.A NH2 PHE 127.A O no hydrogen 2.966 N/A ARG 167.A NH2 GLN 181.A OE1 no hydrogen 3.034 N/A ASN 170.A N SER 168.A OG no hydrogen 3.111 N/A THR 172.A N ASN 170.A OD1 no hydrogen 3.061 N/A ASP 173.A N ASN 170.A OD1 no hydrogen 3.342 N/A ASN 174.A ND2 ASP 313.A O no hydrogen 2.850 N/A ALA 175.A N ASP 173.A OD1 no hydrogen 2.894 N/A LYS 176.A N ASP 173.A O no hydrogen 3.291 N/A THR 177.A OG1 ASP 333.A OD2 no hydrogen 3.010 N/A ILE 178.A N LEU 310.A O no hydrogen 2.873 N/A ILE 179.A N ARG 167.A O no hydrogen 2.867 N/A VAL 180.A N LEU 308.A O no hydrogen 2.802 N/A GLN 181.A N VAL 165.A O no hydrogen 2.809 N/A GLN 181.A NE2 SER 158.A O no hydrogen 2.893 N/A LEU 182.A N THR 306.A O no hydrogen 2.939 N/A ASN 183.A ND2 GLU 162.A O no hydrogen 3.254 N/A THR 184.A OG1 ASN 183.A OD1 no hydrogen 3.055 N/A VAL 186.A N ILE 305.A O no hydrogen 3.039 N/A ILE 188.A N SER 303.A O no hydrogen 2.974 N/A ASN 189.A N ASN 197.A O no hydrogen 3.091 N/A CYS 190.A N CYS 301.A O no hydrogen 2.932 N/A ALA 193.A N THR 191.A OG1 no hydrogen 3.096 N/A GLY 194.A N THR 191.A O no hydrogen 3.210 N/A CYS 196.A N LEU 272.A O no hydrogen 2.938 N/A ASN 197.A N ASN 189.A O no hydrogen 2.920 N/A ILE 198.A N ILE 270.A O no hydrogen 2.898 N/A ARG 200.A NE SER 267.A O no hydrogen 3.111 N/A TRP 203.A N ALA 199.A O no hydrogen 3.169 N/A TRP 203.A NE1 LEU 255.A O no hydrogen 3.376 N/A ASN 204.A N ARG 200.A O no hydrogen 2.858 N/A ASN 205.A N ALA 201.A O no hydrogen 3.235 N/A THR 206.A N LYS 202.A O no hydrogen 2.971 N/A THR 206.A OG1 LYS 202.A O no hydrogen 2.946 N/A LEU 207.A N TRP 203.A O no hydrogen 3.095 N/A LEU 207.A N ASN 204.A O no hydrogen 3.035 N/A LYS 208.A N ASN 204.A O no hydrogen 3.144 N/A GLN 209.A N ASN 205.A O no hydrogen 2.955 N/A ILE 210.A N THR 206.A O no hydrogen 3.266 N/A ALA 211.A N LEU 207.A O no hydrogen 2.736 N/A SER 212.A N LYS 208.A O no hydrogen 3.045 N/A LYS 213.A N GLN 209.A O no hydrogen 3.087 N/A LYS 213.A NZ GLU 163.A OE1 no hydrogen 3.033 N/A LEU 214.A N ILE 210.A O no hydrogen 2.922 N/A ARG 215.A N ALA 211.A O no hydrogen 2.769 N/A ARG 215.A NH2 ASN 220.A O no hydrogen 2.645 N/A GLU 216.A N SER 212.A O no hydrogen 3.235 N/A GLN 217.A N LYS 213.A O no hydrogen 3.308 N/A PHE 218.A N LEU 214.A O no hydrogen 2.931 N/A LYS 222.A NZ ASN 319.A OD1 no hydrogen 3.287 N/A THR 223.A N GLU 320.A O no hydrogen 3.144 N/A THR 223.A OG1 PHE 261.A O no hydrogen 3.407 N/A ILE 224.A N TRP 260.A O no hydrogen 3.086 N/A ILE 225.A N GLU 322.A O no hydrogen 2.973 N/A PHE 226.A N SER 258.A O no hydrogen 2.918 N/A LYS 227.A N PHE 324.A O no hydrogen 2.986 N/A GLY 231.A N SER 229.A OG no hydrogen 3.266 N/A GLU 235.A N GLU 235.A OE1 no hydrogen 2.775 N/A ILE 236.A N ASP 233.A O no hydrogen 2.782 N/A VAL 237.A N ASP 233.A O no hydrogen 2.801 N/A THR 238.A N PRO 234.A O no hydrogen 3.257 N/A THR 238.A OG1 PRO 234.A O no hydrogen 2.774 N/A HIS 239.A N CYS 250.A O no hydrogen 2.930 N/A HIS 239.A ND1 SER 151.A O no hydrogen 3.013 N/A TRP 240.A N SER 151.A OG no hydrogen 3.035 N/A PHE 241.A N PHE 248.A O no hydrogen 3.200 N/A CYS 243.A N GLU 246.A O no hydrogen 3.104 N/A GLY 245.A N ASN 242.A OD1 no hydrogen 3.347 N/A PHE 248.A N PHE 241.A O no hydrogen 2.914 N/A TYR 249.A N ARG 275.A O no hydrogen 3.061 N/A TYR 249.A OH GLU 235.A OE2 no hydrogen 2.732 N/A ASN 251.A N PRO 273.A O no hydrogen 2.884 N/A SER 252.A OG GLN 152.A OE1 no hydrogen 2.741 N/A THR 253.A N ASN 251.A OD1 no hydrogen 2.934 N/A THR 253.A OG1 GLN 228.A OE1 no hydrogen 3.292 N/A THR 253.A OG1 ASN 251.A OD1 no hydrogen 2.805 N/A GLN 254.A NE2 THR 271.A O no hydrogen 2.853 N/A LEU 255.A N SER 252.A O no hydrogen 3.048 N/A PHE 256.A N SER 252.A O no hydrogen 3.273 N/A TRP 260.A N ILE 224.A O no hydrogen 2.726 N/A THR 269.A N SER 267.A OG no hydrogen 3.306 N/A THR 271.A OG1 THR 269.A O no hydrogen 3.161 N/A LEU 272.A N CYS 196.A O no hydrogen 2.791 N/A CYS 274.A N GLY 194.A O no hydrogen 2.970 N/A CYS 274.A SG LEU 272.A O no hydrogen 3.423 N/A LYS 277.A N PHE 247.A O no hydrogen 3.162 N/A ILE 280.A N ALA 289.A O no hydrogen 2.882 N/A ASN 281.A N GLU 235.A OE2 no hydrogen 2.824 N/A ASN 281.A ND2 GLU 235.A OE1 no hydrogen 2.761 N/A MET 282.A N GLY 287.A O no hydrogen 2.832 N/A GLN 284.A N GLN 284.A OE1 no hydrogen 2.746 N/A LYS 288.A N LEU 89.A O no hydrogen 3.077 N/A LYS 288.A NZ ASN 281.A OD1 no hydrogen 2.909 N/A ALA 289.A N ILE 280.A O no hydrogen 2.823 N/A MET 290.A N VAL 87.A O no hydrogen 3.060 N/A TYR 291.A N GLN 278.A O no hydrogen 2.656 N/A CYS 301.A N CYS 190.A O no hydrogen 3.322 N/A SER 302.A OG ASN 189.A OD1 no hydrogen 3.156 N/A SER 303.A N ILE 188.A O no hydrogen 3.274 N/A ASN 304.A N ASN 156.A OD1 no hydrogen 3.320 N/A ILE 305.A N VAL 186.A O no hydrogen 2.702 N/A THR 306.A N LEU 154.A O no hydrogen 2.973 N/A THR 306.A OG1 LEU 154.A O no hydrogen 3.564 N/A GLY 307.A N LEU 154.A O no hydrogen 3.279 N/A LEU 308.A N VAL 180.A O no hydrogen 3.133 N/A LEU 309.A N GLN 152.A O no hydrogen 2.906 N/A LEU 310.A N ILE 178.A O no hydrogen 3.237 N/A THR 311.A N ARG 325.A O no hydrogen 2.936 N/A THR 311.A OG1 ARG 325.A O no hydrogen 3.437 N/A ARG 312.A NH1 GLU 322.A OE1 no hydrogen 2.791 N/A ARG 312.A NH2 PHE 171.A O no hydrogen 3.455 N/A ASP 313.A N ILE 323.A O no hydrogen 3.073 N/A GLU 322.A N THR 223.A O no hydrogen 2.819 N/A PHE 324.A N ILE 225.A O no hydrogen 2.886 N/A ARG 325.A N THR 311.A O no hydrogen 3.001 N/A ARG 325.A NE ASP 313.A OD1 no hydrogen 3.258 N/A ARG 325.A NE ASP 313.A OD2 no hydrogen 2.904 N/A ARG 325.A NH1 GLN 228.A O no hydrogen 2.842 N/A GLY 327.A N LEU 309.A O no hydrogen 2.791 N/A ARG 332.A N ASP 330.A OD1 no hydrogen 3.411 N/A ARG 332.A NH1 ASP 330.A OD1 no hydrogen 3.132 N/A ASP 333.A N ASP 330.A O no hydrogen 3.067 N/A ASN 334.A ND2 SER 150.A O no hydrogen 3.150 N/A TRP 335.A N MET 331.A O no hydrogen 3.125 N/A ARG 336.A N ARG 332.A O no hydrogen 2.727 N/A SER 337.A N ASN 334.A O no hydrogen 3.397 N/A SER 337.A OG ASN 334.A O no hydrogen 2.695 N/A GLU 338.A N TRP 335.A O no hydrogen 2.809 N/A LEU 339.A N TRP 335.A O no hydrogen 2.877 N/A TYR 342.A OH HIS 143.A ND1 no hydrogen 2.637 N/A LYS 343.A NZ GLU 14.A OE2 no hydrogen 2.939 N/A LYS 343.A NZ GLU 58.A OE2 no hydrogen 2.951 N/A LYS 343.A NZ ASN 59.A O no hydrogen 2.833 N/A VAL 345.A N ALA 118.A O no hydrogen 2.789 N/A LYS 346.A N LYS 13.A O no hydrogen 2.706 N/A LYS 346.A NZ GLY 116.A O no hydrogen 3.331 N/A ILE 347.A N GLY 116.A O no hydrogen 3.397 N/A GLU 348.A N VAL 11.A O no hydrogen 3.036 N/A GLY 351.A N VAL 9.A O no hydrogen 2.913 N/A