Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cjg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N HIS 1.A ND1 no hydrogen 2.849 N/A TYR 7.A OH GLU 13.A OE1 no hydrogen 2.716 N/A TRP 12.A N ASP 8.A O no hydrogen 3.108 N/A GLU 13.A N ALA 9.A O no hydrogen 2.734 N/A PHE 14.A N ALA 85.A O no hydrogen 2.814 N/A ARG 16.A NE PRO 92.A O no hydrogen 2.880 N/A ARG 16.A NH1 LYS 88.A O no hydrogen 2.992 N/A ARG 16.A NH2 LYS 88.A O no hydrogen 2.830 N/A ARG 16.A NH2 PRO 92.A O no hydrogen 2.946 N/A ARG 18.A N PRO 15.A O no hydrogen 3.125 N/A LEU 19.A N ARG 16.A O no hydrogen 3.092 N/A ASN 20.A N ASP 34.A O no hydrogen 2.764 N/A GLY 22.A N GLU 32.A O no hydrogen 2.660 N/A LEU 25.A N VAL 30.A O no hydrogen 2.733 N/A GLN 29.A N MET 50.A O no hydrogen 2.748 N/A GLN 29.A NE2 LEU 51.A O no hydrogen 2.966 N/A GLN 29.A NE2 GLU 53.A OE1 no hydrogen 3.166 N/A ILE 31.A N VAL 48.A O no hydrogen 2.760 N/A GLU 32.A N LYS 23.A O no hydrogen 2.759 N/A ALA 33.A N VAL 46.A O no hydrogen 2.887 N/A ASP 34.A N ASN 20.A O no hydrogen 2.773 N/A ALA 35.A N ARG 44.A O.A no hydrogen 2.829 N/A ALA 35.A N ARG 44.A O.B no hydrogen 2.835 N/A PHE 36.A N ARG 18.A O no hydrogen 3.032 N/A GLY 37.A N THR 43.A O no hydrogen 2.915 N/A LYS 40.A N GLY 37.A O no hydrogen 3.145 N/A THR 41.A N ASP 39.A OD1 no hydrogen 3.052 N/A THR 41.A OG1 ASP 39.A OD1 no hydrogen 2.509 N/A THR 41.A OG1 ASP 39.A OD2 no hydrogen 3.410 N/A THR 41.A OG1 THR 43.A OG1 no hydrogen 2.923 N/A THR 43.A OG1 THR 41.A OG1 no hydrogen 2.923 N/A ARG 44.A NE.A THR 43.A OG1 no hydrogen 3.273 N/A THR 45.A OG1 ASP 34.A OD1 no hydrogen 3.479 N/A VAL 46.A N ALA 33.A O no hydrogen 2.752 N/A ALA 47.A N VAL 97.A O no hydrogen 3.023 N/A VAL 48.A N ILE 31.A O no hydrogen 2.756 N/A LYS 49.A N VAL 95.A O no hydrogen 3.001 N/A LYS 49.A NZ GLU 66.A OE2.A no hydrogen 2.681 N/A MET 50.A N GLN 29.A O no hydrogen 2.764 N/A THR 56.A N GLU 59.A OE1 no hydrogen 3.324 N/A GLU 59.A N THR 56.A OG1 no hydrogen 3.245 N/A HIS 60.A N THR 56.A O no hydrogen 3.191 N/A ARG 61.A N HIS 57.A O no hydrogen 2.726 N/A ALA 62.A N SER 58.A O no hydrogen 2.813 N/A LEU 63.A N GLU 59.A O no hydrogen 3.024 N/A MET 64.A N HIS 60.A O no hydrogen 3.042 N/A SER 65.A N ARG 61.A O no hydrogen 2.903 N/A SER 65.A OG ARG 61.A O no hydrogen 2.736 N/A GLU 66.A N.A ALA 62.A O no hydrogen 2.976 N/A GLU 66.A N.B ALA 62.A O no hydrogen 3.011 N/A LEU 67.A N LEU 63.A O no hydrogen 3.110 N/A LYS 68.A N MET 64.A O no hydrogen 3.145 N/A LYS 68.A NZ GLU 3.A O no hydrogen 2.666 N/A LYS 68.A NZ LEU 5.A O no hydrogen 3.008 N/A ILE 69.A N SER 65.A O no hydrogen 2.880 N/A LEU 70.A N GLU 66.A O.A no hydrogen 3.040 N/A LEU 70.A N GLU 66.A O.B no hydrogen 3.049 N/A ILE 71.A N LEU 67.A O no hydrogen 2.909 N/A HIS 72.A N LYS 68.A O no hydrogen 2.811 N/A ILE 73.A N ILE 69.A O no hydrogen 2.814 N/A GLY 74.A N LEU 70.A O no hydrogen 3.200 N/A HIS 76.A N ASN 81.A OD1 no hydrogen 3.053 N/A ASN 78.A N HIS 76.A ND1 no hydrogen 2.952 N/A ASN 78.A ND2 GLN 138.A OE1 no hydrogen 2.978 N/A ASN 78.A ND2 VAL 168.A O no hydrogen 2.929 N/A VAL 79.A N HIS 76.A O no hydrogen 3.390 N/A VAL 80.A N ILE 170.A O no hydrogen 2.902 N/A ASN 81.A N GLU 98.A OE1 no hydrogen 3.023 N/A ASN 81.A ND2 HIS 76.A O no hydrogen 2.682 N/A ASN 81.A ND2 GLU 98.A OE1 no hydrogen 3.076 N/A ASN 81.A ND2 GLU 98.A OE2 no hydrogen 3.425 N/A LEU 83.A N ILE 96.A O no hydrogen 2.756 N/A GLY 84.A N ILE 96.A O no hydrogen 3.249 N/A ALA 85.A N TRP 12.A O no hydrogen 2.904 N/A CYS 86.A N MET 94.A O no hydrogen 2.946 N/A CYS 86.A SG PHE 14.A O no hydrogen 3.294 N/A THR 87.A N GLU 13.A OE2 no hydrogen 2.777 N/A THR 87.A OG1 GLU 13.A OE1 no hydrogen 2.730 N/A THR 87.A OG1 GLU 13.A OE2 no hydrogen 3.536 N/A LYS 88.A N GLU 13.A OE2 no hydrogen 3.111 N/A MET 94.A N CYS 86.A O no hydrogen 3.009 N/A VAL 95.A N LYS 49.A O no hydrogen 2.813 N/A ILE 96.A N GLY 84.A O no hydrogen 2.918 N/A VAL 97.A N ALA 47.A O no hydrogen 2.899 N/A GLU 98.A N ASN 81.A O no hydrogen 2.942 N/A PHE 102.A N LEU 162.A O no hydrogen 3.105 N/A GLY 103.A N CYS 100.A O no hydrogen 3.491 N/A ASN 104.A ND2 THR 107.A OG1 no hydrogen 2.837 N/A LEU 105.A N ILE 160.A O no hydrogen 2.779 N/A THR 107.A N ASN 104.A OD1 no hydrogen 2.789 N/A TYR 108.A N ASN 104.A O no hydrogen 3.154 N/A LEU 109.A N LEU 105.A O no hydrogen 2.810 N/A ARG 110.A N SER 106.A O no hydrogen 3.127 N/A SER 111.A N THR 107.A O no hydrogen 3.122 N/A SER 111.A OG TYR 108.A O no hydrogen 2.681 N/A LYS 112.A N LEU 109.A O no hydrogen 3.239 N/A LYS 112.A NZ GLU 115.A OE1 no hydrogen 2.875 N/A LYS 112.A NZ ASP 125.A O no hydrogen 3.164 N/A ARG 113.A NE LEU 213.A O no hydrogen 2.974 N/A ARG 113.A NH2 SER 212.A O no hydrogen 3.274 N/A ARG 113.A NH2 LEU 213.A O no hydrogen 3.062 N/A GLU 115.A N LYS 112.A O no hydrogen 3.042 N/A VAL 117.A N LEU 127.A O no hydrogen 3.033 N/A LEU 127.A N GLU 115.A O no hydrogen 2.945 N/A THR 128.A N HIS 131.A ND1 no hydrogen 3.219 N/A THR 128.A OG1 HIS 131.A ND1 no hydrogen 3.135 N/A GLU 130.A N THR 128.A OG1 no hydrogen 3.174 N/A HIS 131.A ND1 THR 128.A OG1 no hydrogen 3.135 N/A LEU 132.A N THR 128.A O no hydrogen 3.207 N/A ILE 133.A N LEU 129.A O no hydrogen 2.908 N/A CYS 134.A N GLU 130.A O no hydrogen 2.848 N/A TYR 135.A N HIS 131.A O no hydrogen 2.773 N/A TYR 135.A OH ASN 166.A OD1 no hydrogen 3.037 N/A SER 136.A N LEU 132.A O no hydrogen 3.070 N/A SER 136.A OG LEU 132.A O no hydrogen 2.772 N/A PHE 137.A N ILE 133.A O no hydrogen 2.919 N/A GLN 138.A N CYS 134.A O no hydrogen 3.008 N/A GLN 138.A NE2 CYS 134.A O no hydrogen 3.507 N/A GLN 138.A NE2 ASN 166.A O no hydrogen 2.822 N/A VAL 139.A N TYR 135.A O no hydrogen 3.046 N/A ALA 140.A N SER 136.A O no hydrogen 3.029 N/A LYS 141.A N PHE 137.A O no hydrogen 2.937 N/A GLY 142.A N GLN 138.A O no hydrogen 2.879 N/A MET 143.A N VAL 139.A O no hydrogen 2.826 N/A GLU 144.A N ALA 140.A O no hydrogen 2.866 N/A PHE 145.A N LYS 141.A O no hydrogen 3.074 N/A LEU 146.A N GLY 142.A O no hydrogen 2.962 N/A ALA 147.A N MET 143.A O no hydrogen 2.771 N/A SER 148.A N GLU 144.A O no hydrogen 3.019 N/A SER 148.A OG GLU 144.A O no hydrogen 3.540 N/A SER 148.A OG PHE 145.A O no hydrogen 2.516 N/A ARG 149.A N PHE 145.A O no hydrogen 3.123 N/A ARG 149.A N LEU 146.A O no hydrogen 2.964 N/A ARG 149.A NE ILE 73.A O no hydrogen 2.760 N/A ARG 149.A NH2 HIS 72.A O no hydrogen 2.890 N/A LYS 150.A N ALA 147.A O no hydrogen 2.872 N/A LYS 150.A NZ SER 148.A O no hydrogen 3.337 N/A HIS 152.A N ASP 199.A OD2 no hydrogen 2.723 N/A HIS 152.A NE2 CYS 171.A O no hydrogen 2.801 N/A ARG 153.A N ASP 199.A OD1 no hydrogen 3.001 N/A ASP 154.A N HIS 152.A ND1 no hydrogen 3.073 N/A ALA 157.A N GLU 209.A OE1 no hydrogen 3.056 N/A ARG 158.A NH2 ASP 154.A OD1 no hydrogen 3.221 N/A ASN 159.A N ALA 156.A O no hydrogen 2.756 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.690 N/A ILE 160.A N ALA 157.A O no hydrogen 3.002 N/A LEU 161.A N LYS 169.A O no hydrogen 2.837 N/A LEU 162.A N GLY 103.A O no hydrogen 2.933 N/A SER 163.A N VAL 167.A O no hydrogen 2.762 N/A VAL 167.A N GLU 164.A O no hydrogen 3.316 N/A VAL 168.A N GLN 138.A OE1 no hydrogen 3.084 N/A LYS 169.A N LEU 161.A O no hydrogen 2.868 N/A LYS 169.A NZ LEU 77.A O no hydrogen 2.717 N/A LYS 169.A NZ VAL 79.A O no hydrogen 3.464 N/A LYS 169.A NZ GLU 98.A OE1 no hydrogen 2.931 N/A ILE 170.A N ASN 78.A O no hydrogen 2.947 N/A CYS 171.A N ASN 159.A O no hydrogen 2.864 N/A CYS 171.A SG ASN 159.A O no hydrogen 3.284 N/A ALA 176.A N PHE 173.A O no hydrogen 3.378 N/A ARG 177.A N ILE 151.A O no hydrogen 3.036 N/A LYS 182.A N PRO 180.A O no hydrogen 2.718 N/A LYS 182.A NZ SER 216.A OG no hydrogen 3.012 N/A LYS 182.A NZ PRO 217.A O no hydrogen 3.240 N/A TRP 183.A NE1 GLU 209.A OE1 no hydrogen 2.927 N/A MET 184.A N LEU 181.A O no hydrogen 3.173 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.824 N/A THR 188.A N ALA 185.A O no hydrogen 3.004 N/A THR 188.A OG1 ALA 185.A O no hydrogen 2.688 N/A ILE 189.A N ALA 185.A O no hydrogen 2.936 N/A PHE 190.A N PRO 186.A O no hydrogen 2.733 N/A ASP 191.A N GLU 187.A O no hydrogen 2.857 N/A VAL 193.A N GLU 187.A O no hydrogen 3.089 N/A THR 195.A N SER 198.A OG no hydrogen 2.916 N/A THR 195.A OG1 SER 198.A OG no hydrogen 3.040 N/A GLN 197.A NE2 PRO 259.A O no hydrogen 2.919 N/A GLN 197.A NE2 ARG 262.A O no hydrogen 3.157 N/A GLN 197.A NE2 PRO 263.A O no hydrogen 3.405 N/A SER 198.A N THR 195.A O no hydrogen 3.057 N/A SER 198.A N THR 195.A OG1 no hydrogen 3.246 N/A SER 198.A OG GLU 187.A OE2 no hydrogen 3.196 N/A SER 198.A OG THR 195.A O no hydrogen 3.428 N/A SER 198.A OG THR 195.A OG1 no hydrogen 3.040 N/A ASP 199.A N THR 195.A O no hydrogen 3.244 N/A VAL 200.A N ILE 196.A O no hydrogen 3.034 N/A TRP 201.A N GLN 197.A O no hydrogen 3.347 N/A SER 202.A N SER 198.A O no hydrogen 3.183 N/A SER 202.A OG TRP 183.A O no hydrogen 2.712 N/A SER 202.A OG SER 198.A O no hydrogen 3.239 N/A PHE 203.A N ASP 199.A O no hydrogen 2.711 N/A GLY 204.A N VAL 200.A O no hydrogen 2.995 N/A VAL 205.A N TRP 201.A O no hydrogen 3.169 N/A LEU 206.A N SER 202.A O no hydrogen 2.879 N/A LEU 207.A N PHE 203.A O no hydrogen 2.864 N/A TRP 208.A N GLY 204.A O no hydrogen 3.143 N/A TRP 208.A NE1 ARG 238.A O no hydrogen 3.041 N/A GLU 209.A N VAL 205.A O no hydrogen 2.962 N/A ILE 210.A N LEU 206.A O no hydrogen 2.869 N/A PHE 211.A N LEU 207.A O no hydrogen 2.937 N/A SER 212.A OG TRP 208.A O no hydrogen 3.014 N/A SER 212.A OG GLU 209.A O no hydrogen 2.792 N/A LEU 213.A N ILE 210.A O no hydrogen 2.931 N/A GLY 214.A N GLU 209.A O no hydrogen 2.744 N/A ALA 215.A N SER 212.A OG no hydrogen 3.013 N/A VAL 221.A N TYR 218.A O no hydrogen 3.193 N/A PHE 227.A N ASP 224.A OD1 no hydrogen 3.172 N/A CYS 228.A N ASP 224.A O no hydrogen 3.423 N/A CYS 228.A SG ASP 224.A O no hydrogen 3.601 N/A ARG 229.A N GLU 225.A O no hydrogen 3.150 N/A ARG 229.A NE GLU 226.A OE1 no hydrogen 3.072 N/A ARG 229.A NE GLU 226.A OE2 no hydrogen 3.333 N/A ARG 229.A NH2 GLU 226.A OE2 no hydrogen 3.086 N/A ARG 230.A N GLU 226.A O no hydrogen 2.783 N/A LEU 231.A N PHE 227.A O no hydrogen 2.894 N/A LYS 232.A N.A CYS 228.A O no hydrogen 2.990 N/A LYS 232.A N.B CYS 228.A O no hydrogen 3.014 N/A LYS 232.A NZ.A GLU 233.A OE2.B no hydrogen 2.264 N/A GLU 233.A N.A ARG 229.A O no hydrogen 2.852 N/A GLU 233.A N.B ARG 229.A O no hydrogen 2.892 N/A GLY 234.A N ARG 230.A O no hydrogen 3.106 N/A GLY 234.A N LEU 231.A O no hydrogen 3.265 N/A THR 235.A N ARG 230.A O no hydrogen 2.752 N/A THR 235.A OG1 ARG 230.A O no hydrogen 3.349 N/A ARG 236.A NE TRP 255.A O no hydrogen 3.043 N/A ARG 236.A NH1 LEU 231.A O no hydrogen 2.987 N/A ARG 236.A NH1 THR 235.A O no hydrogen 2.985 N/A ARG 236.A NH2 TRP 255.A O no hydrogen 2.765 N/A TYR 242.A N PHE 211.A O no hydrogen 2.896 N/A THR 243.A N PRO 240.A O no hydrogen 3.486 N/A THR 243.A OG1 THR 244.A O no hydrogen 2.702 N/A THR 244.A OG1 GLU 246.A OE1 no hydrogen 3.318 N/A MET 247.A N THR 244.A OG1 no hydrogen 3.182 N/A TYR 248.A N THR 244.A O no hydrogen 3.063 N/A TYR 248.A OH MET 237.A O no hydrogen 2.672 N/A GLN 249.A N PRO 245.A O no hydrogen 2.940 N/A GLN 249.A NE2 GLN 249.A O no hydrogen 3.212 N/A GLN 249.A NE2 ASP 253.A OD1 no hydrogen 3.009 N/A THR 250.A N GLU 246.A O no hydrogen 3.108 N/A THR 250.A OG1 GLU 246.A O no hydrogen 3.009 N/A THR 250.A OG1 HIS 271.A NE2 no hydrogen 3.069 N/A MET 251.A N MET 247.A O no hydrogen 3.088 N/A LEU 252.A N TYR 248.A O no hydrogen 2.989 N/A ASP 253.A N GLN 249.A O no hydrogen 2.958 N/A CYS 254.A N THR 250.A O no hydrogen 2.927 N/A CYS 254.A SG THR 250.A O no hydrogen 3.244 N/A TRP 255.A N MET 251.A O no hydrogen 2.909 N/A HIS 256.A N ASP 253.A O no hydrogen 3.221 N/A GLU 258.A N.A HIS 256.A ND1 no hydrogen 3.028 N/A GLU 258.A N.B HIS 256.A ND1 no hydrogen 3.057 N/A SER 260.A OG GLU 258.A OE2.B no hydrogen 3.153 N/A GLN 261.A N GLU 258.A O.A no hydrogen 2.944 N/A GLN 261.A N GLU 258.A O.B no hydrogen 2.909 N/A ARG 262.A N PRO 259.A O no hydrogen 3.205 N/A ARG 262.A NE HIS 256.A O no hydrogen 2.703 N/A ARG 262.A NH1 GLU 187.A OE2 no hydrogen 2.871 N/A ARG 262.A NH1 GLN 197.A O no hydrogen 2.888 N/A ARG 262.A NH2 GLU 187.A OE1 no hydrogen 2.919 N/A ARG 262.A NH2 HIS 256.A O no hydrogen 3.097 N/A THR 264.A N GLU 267.A OE1 no hydrogen 3.053 N/A SER 266.A OG GLU 144.A OE2 no hydrogen 2.713 N/A GLU 267.A N THR 264.A OG1 no hydrogen 3.141 N/A LEU 268.A N THR 264.A O no hydrogen 2.977 N/A VAL 269.A N PHE 265.A O no hydrogen 2.848 N/A GLU 270.A N SER 266.A O no hydrogen 3.013 N/A HIS 271.A N GLU 267.A O no hydrogen 2.898 N/A HIS 271.A NE2 THR 250.A OG1 no hydrogen 3.069 N/A LEU 272.A N LEU 268.A O no hydrogen 2.783 N/A GLY 273.A N VAL 269.A O no hydrogen 3.029 N/A ASN 274.A N GLU 270.A O no hydrogen 3.154 N/A LEU 275.A N HIS 271.A O no hydrogen 3.082 N/A LEU 276.A N LEU 272.A O no hydrogen 2.931 N/A GLN 277.A N GLY 273.A O no hydrogen 3.264 N/A ALA 278.A N ASN 274.A O no hydrogen 3.083 N/A ALA 278.A N LEU 275.A O no hydrogen 3.233 N/A ASN 279.A N LEU 275.A O no hydrogen 2.962 N/A ALA 280.A N LEU 276.A O no hydrogen 3.045 N/A