Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j61_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG ASP 1.A O no hydrogen 3.936 N/A HIS 6.A ND1 THR 80.A OG1 no hydrogen 2.987 N/A ILE 7.A N VAL 78.A O no hydrogen 2.787 N/A LYS 8.A NZ GLU 81.A OE2 no hydrogen 3.121 N/A ARG 9.A N GLU 81.A OE2 no hydrogen 3.191 N/A ASP 11.A N LYS 8.A O no hydrogen 2.915 N/A ILE 12.A N ARG 9.A O no hydrogen 3.007 N/A VAL 13.A N GLU 30.A O no hydrogen 2.845 N/A LYS 15.A N LEU 28.A O no hydrogen 2.774 N/A LYS 15.A NZ GLU 30.A OE2 no hydrogen 3.405 N/A LEU 18.A N VAL 26.A O no hydrogen 2.743 N/A GLY 19.A N VAL 26.A O no hydrogen 3.498 N/A GLY 21.A N GLY 24.A O no hydrogen 2.604 N/A LYS 25.A N ALA 47.A O no hydrogen 3.181 N/A VAL 26.A N GLY 19.A O no hydrogen 3.081 N/A PHE 27.A N VAL 45.A O no hydrogen 2.699 N/A LEU 28.A N TRP 16.A O no hydrogen 2.812 N/A ALA 29.A N VAL 43.A O no hydrogen 2.926 N/A GLU 30.A N VAL 13.A O no hydrogen 2.819 N/A CYS 31.A N MET 41.A O no hydrogen 2.848 N/A CYS 31.A SG ASP 11.A O no hydrogen 4.003 N/A HIS 32.A N ASP 11.A O no hydrogen 2.892 N/A ASN 33.A N ASP 39.A O no hydrogen 3.416 N/A LYS 40.A NZ GLU 30.A OE1 no hydrogen 3.012 N/A LYS 40.A NZ GLU 30.A OE2 no hydrogen 3.284 N/A MET 41.A N CYS 31.A O no hydrogen 3.412 N/A VAL 43.A N ALA 29.A O no hydrogen 2.869 N/A ALA 44.A N PHE 89.A O no hydrogen 2.733 N/A VAL 45.A N PHE 27.A O no hydrogen 2.802 N/A LYS 46.A N MET 87.A O no hydrogen 2.987 N/A ALA 47.A N LYS 25.A O no hydrogen 2.907 N/A LEU 48.A N LEU 85.A O no hydrogen 3.311 N/A ALA 53.A N SER 50.A O no hydrogen 3.084 N/A ARG 54.A N SER 50.A O no hydrogen 2.968 N/A GLN 55.A N GLU 51.A O no hydrogen 3.140 N/A ASP 56.A N SER 52.A O no hydrogen 2.873 N/A PHE 57.A N ALA 53.A O no hydrogen 2.419 N/A ARG 59.A N ASP 56.A O no hydrogen 3.028 N/A GLU 60.A N ASP 56.A O no hydrogen 3.275 N/A ALA 61.A N PHE 57.A O no hydrogen 3.329 N/A GLU 62.A N GLN 58.A O no hydrogen 3.186 N/A LEU 63.A N ARG 59.A O no hydrogen 3.100 N/A LEU 64.A N GLU 60.A O no hydrogen 2.674 N/A THR 65.A N ALA 61.A O no hydrogen 3.068 N/A THR 65.A OG1 ALA 61.A O no hydrogen 3.171 N/A MET 66.A N GLU 62.A O no hydrogen 3.160 N/A LEU 67.A N LEU 63.A O no hydrogen 2.984 N/A GLN 68.A NE2 LEU 64.A O no hydrogen 2.279 N/A HIS 71.A N HIS 69.A ND1 no hydrogen 3.228 N/A HIS 71.A ND1 VAL 160.A O no hydrogen 3.066 N/A ILE 72.A N HIS 69.A O no hydrogen 3.176 N/A VAL 73.A N ILE 162.A O no hydrogen 3.203 N/A ARG 74.A N GLU 90.A OE2 no hydrogen 3.346 N/A PHE 75.A N GLN 68.A OE1 no hydrogen 3.395 N/A PHE 76.A N VAL 88.A O no hydrogen 2.887 N/A VAL 78.A N HIS 5.A O no hydrogen 3.178 N/A CYS 79.A N LEU 86.A O no hydrogen 3.151 N/A CYS 79.A SG ILE 7.A O no hydrogen 3.269 N/A THR 80.A OG1 HIS 6.A ND1 no hydrogen 2.987 N/A MET 87.A N LYS 46.A O no hydrogen 2.973 N/A VAL 88.A N GLY 77.A O no hydrogen 2.824 N/A PHE 89.A N ALA 44.A O no hydrogen 2.918 N/A GLU 90.A N ARG 74.A O no hydrogen 3.131 N/A ARG 93.A NH1 GLU 111.A OE1 no hydrogen 2.977 N/A ARG 93.A NH2 GLU 111.A OE1 no hydrogen 3.170 N/A HIS 94.A N VAL 154.A O no hydrogen 3.104 N/A HIS 94.A NE2 ASP 112.A OD2 no hydrogen 2.513 N/A GLY 95.A N MET 92.A O no hydrogen 3.245 N/A LEU 97.A N CYS 152.A O no hydrogen 2.477 N/A ARG 99.A N ASP 96.A OD1 no hydrogen 2.772 N/A PHE 100.A N ASP 96.A O no hydrogen 3.158 N/A LEU 101.A N LEU 97.A O no hydrogen 2.917 N/A ARG 102.A N ASN 98.A O no hydrogen 2.978 N/A SER 103.A N ARG 99.A O no hydrogen 2.970 N/A SER 103.A OG ARG 99.A O no hydrogen 2.651 N/A SER 103.A OG PHE 100.A O no hydrogen 2.683 N/A SER 103.A OG HIS 104.A ND1 no hydrogen 3.238 N/A HIS 104.A N LEU 101.A O no hydrogen 3.147 N/A HIS 104.A ND1 PHE 100.A O no hydrogen 2.829 N/A GLY 110.A N VAL 113.A O no hydrogen 2.869 N/A LEU 118.A N HIS 104.A O no hydrogen 3.310 N/A GLY 119.A N GLN 122.A OE1 no hydrogen 2.814 N/A LEU 123.A N GLY 119.A O no hydrogen 2.655 N/A LEU 124.A N LEU 120.A O no hydrogen 2.889 N/A ALA 125.A N GLY 121.A O no hydrogen 2.912 N/A VAL 126.A N GLN 122.A O no hydrogen 2.853 N/A ALA 127.A N LEU 123.A O no hydrogen 3.156 N/A SER 128.A N LEU 124.A O no hydrogen 2.815 N/A GLN 129.A N ALA 125.A O no hydrogen 3.151 N/A GLN 129.A NE2 ALA 125.A O no hydrogen 3.564 N/A GLN 129.A NE2 LEU 158.A O no hydrogen 3.160 N/A VAL 130.A N VAL 126.A O no hydrogen 3.357 N/A ALA 131.A N ALA 127.A O no hydrogen 3.102 N/A ALA 132.A N SER 128.A O no hydrogen 3.087 N/A GLY 133.A N GLN 129.A O no hydrogen 3.229 N/A MET 134.A N VAL 130.A O no hydrogen 3.006 N/A VAL 135.A N ALA 131.A O no hydrogen 2.641 N/A TYR 136.A N ALA 132.A O no hydrogen 2.995 N/A LEU 137.A N GLY 133.A O no hydrogen 3.192 N/A ALA 138.A N MET 134.A O no hydrogen 2.974 N/A GLY 139.A N VAL 135.A O no hydrogen 3.010 N/A LEU 140.A N TYR 136.A O no hydrogen 2.941 N/A HIS 141.A N ALA 138.A O no hydrogen 3.026 N/A PHE 142.A N LEU 137.A O no hydrogen 2.758 N/A HIS 144.A N ASP 205.A OD2 no hydrogen 3.324 N/A HIS 144.A NE2 GLY 163.A O no hydrogen 2.990 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.414 N/A THR 149.A N GLU 215.A OE1 no hydrogen 3.180 N/A THR 149.A OG1 ASN 98.A OD1 no hydrogen 2.727 N/A THR 149.A OG1 GLU 215.A OE1 no hydrogen 3.067 N/A THR 149.A OG1 GLU 215.A OE2 no hydrogen 2.928 N/A ARG 150.A NE TYR 176.A OH no hydrogen 2.885 N/A ARG 150.A NH2 TYR 176.A OH no hydrogen 3.045 N/A ASN 151.A N ALA 148.A O no hydrogen 3.002 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.423 N/A CYS 152.A N THR 149.A O no hydrogen 2.926 N/A CYS 152.A SG ALA 148.A O no hydrogen 3.598 N/A LEU 153.A N LYS 161.A O no hydrogen 2.844 N/A VAL 154.A N GLY 95.A O no hydrogen 2.961 N/A GLY 155.A N VAL 159.A O no hydrogen 2.640 N/A GLY 157.A N ASP 112.A OD1 no hydrogen 2.794 N/A VAL 159.A N GLY 155.A O no hydrogen 3.157 N/A VAL 160.A N GLN 129.A OE1 no hydrogen 2.737 N/A LYS 161.A N LEU 153.A O no hydrogen 2.918 N/A LYS 161.A NZ GLU 90.A OE1 no hydrogen 2.998 N/A LYS 161.A NZ GLU 90.A OE2 no hydrogen 2.725 N/A ILE 162.A N HIS 71.A O no hydrogen 2.872 N/A GLY 163.A N ASN 151.A O no hydrogen 2.815 N/A PHE 165.A N ASN 151.A OD1 no hydrogen 3.355 N/A MET 167.A N ASP 170.A OD1 no hydrogen 3.304 N/A SER 168.A OG ASN 151.A OD1 no hydrogen 2.384 N/A ASP 170.A N MET 167.A O no hydrogen 2.808 N/A ILE 171.A N MET 167.A O no hydrogen 2.689 N/A TYR 172.A N SER 168.A O no hydrogen 3.170 N/A TYR 172.A OH ASP 96.A OD2 no hydrogen 2.557 N/A ASP 175.A N TYR 172.A O no hydrogen 2.871 N/A TYR 176.A N SER 173.A O no hydrogen 3.344 N/A TYR 176.A OH ASP 146.A OD1 no hydrogen 3.352 N/A TYR 176.A OH ASP 146.A OD2 no hydrogen 2.475 N/A TYR 177.A N LEU 185.A O no hydrogen 2.792 N/A VAL 179.A N THR 183.A O no hydrogen 3.356 N/A LEU 185.A N TYR 177.A O no hydrogen 3.111 N/A ILE 187.A N LEU 185.A O no hydrogen 2.811 N/A ARG 188.A NH1 PRO 223.A O no hydrogen 3.490 N/A ARG 188.A NH1 LEU 227.A O no hydrogen 3.164 N/A ARG 188.A NH2 LEU 227.A O no hydrogen 3.460 N/A ARG 188.A NH2 ASN 229.A OD1 no hydrogen 2.759 N/A TRP 189.A N PRO 186.A O no hydrogen 2.926 N/A TRP 189.A NE1 GLU 215.A OE1 no hydrogen 3.075 N/A MET 190.A N ILE 187.A O no hydrogen 3.230 N/A GLU 193.A N GLU 193.A OE2 no hydrogen 2.712 N/A SER 194.A N PRO 191.A O no hydrogen 3.098 N/A SER 194.A OG LYS 199.A O no hydrogen 2.567 N/A ILE 195.A N PRO 191.A O no hydrogen 3.276 N/A LEU 196.A N PRO 192.A O no hydrogen 2.884 N/A ARG 198.A NE LEU 196.A O no hydrogen 3.544 N/A LYS 199.A N GLU 193.A O no hydrogen 3.153 N/A THR 201.A N SER 204.A OG no hydrogen 2.927 N/A THR 201.A OG1 GLU 203.A OE2 no hydrogen 3.000 N/A THR 201.A OG1 SER 204.A OG no hydrogen 3.361 N/A SER 204.A N THR 201.A O no hydrogen 2.977 N/A SER 204.A OG GLU 193.A OE1 no hydrogen 3.102 N/A SER 204.A OG THR 201.A OG1 no hydrogen 3.361 N/A ASP 205.A N THR 202.A O no hydrogen 2.932 N/A SER 208.A N SER 204.A O no hydrogen 3.302 N/A SER 208.A OG TRP 189.A O no hydrogen 2.838 N/A PHE 209.A N ASP 205.A O no hydrogen 2.805 N/A GLY 210.A N VAL 206.A O no hydrogen 3.016 N/A VAL 211.A N TRP 207.A O no hydrogen 3.173 N/A VAL 212.A N SER 208.A O no hydrogen 2.812 N/A LEU 213.A N PHE 209.A O no hydrogen 2.479 N/A TRP 214.A N GLY 210.A O no hydrogen 2.696 N/A TRP 214.A NE1 GLU 243.A O no hydrogen 2.750 N/A GLU 215.A N VAL 211.A O no hydrogen 2.847 N/A ILE 216.A N VAL 212.A O no hydrogen 2.963 N/A PHE 217.A N LEU 213.A O no hydrogen 3.375 N/A THR 218.A N GLU 215.A O no hydrogen 3.313 N/A THR 218.A OG1 TRP 214.A O no hydrogen 2.341 N/A TYR 219.A N ILE 216.A O no hydrogen 3.380 N/A TYR 219.A OH LEU 118.A O no hydrogen 3.119 N/A GLY 220.A N GLU 215.A O no hydrogen 2.869 N/A GLN 222.A NE2 THR 174.A O no hydrogen 3.138 N/A GLN 222.A NE2 ASP 175.A OD1 no hydrogen 2.898 N/A GLN 226.A N GLN 226.A OE1 no hydrogen 2.865 N/A LEU 227.A N TRP 224.A O no hydrogen 2.952 N/A SER 228.A N GLU 231.A OE1 no hydrogen 3.221 N/A SER 228.A OG THR 230.A OG1 no hydrogen 3.137 N/A THR 230.A OG1 SER 228.A OG no hydrogen 3.137 N/A GLU 231.A N SER 228.A OG no hydrogen 3.310 N/A ALA 232.A N SER 228.A O no hydrogen 2.627 N/A ILE 233.A N ASN 229.A O no hydrogen 2.941 N/A ASP 234.A N THR 230.A O no hydrogen 3.098 N/A CYS 235.A N GLU 231.A O no hydrogen 3.189 N/A CYS 235.A SG GLU 231.A O no hydrogen 3.603 N/A ILE 236.A N ALA 232.A O no hydrogen 3.093 N/A THR 237.A N ILE 233.A O no hydrogen 2.966 N/A THR 237.A OG1 ILE 233.A O no hydrogen 3.061 N/A THR 237.A OG1 ASP 234.A O no hydrogen 3.216 N/A GLN 238.A N ASP 234.A O no hydrogen 3.013 N/A ARG 240.A N CYS 235.A O no hydrogen 2.884 N/A ARG 244.A NH1 CYS 248.A O no hydrogen 2.355 N/A CYS 248.A N PRO 245.A O no hydrogen 3.084 N/A CYS 248.A SG PRO 249.A O no hydrogen 3.286 N/A VAL 252.A N PRO 249.A O no hydrogen 3.017 N/A TYR 253.A N PRO 249.A O no hydrogen 3.020 N/A TYR 253.A OH LEU 242.A O no hydrogen 2.798 N/A ILE 255.A N VAL 252.A O no hydrogen 2.890 N/A MET 256.A N VAL 252.A O no hydrogen 3.340 N/A ARG 257.A N TYR 253.A O no hydrogen 3.189 N/A GLY 258.A N ALA 254.A O no hydrogen 3.202 N/A CYS 259.A N ILE 255.A O no hydrogen 3.159 N/A CYS 259.A N MET 256.A O no hydrogen 2.940 N/A CYS 259.A SG ILE 255.A O no hydrogen 3.297 N/A TRP 260.A N ARG 257.A O no hydrogen 2.886 N/A ARG 262.A NH2 THR 237.A O no hydrogen 2.211 N/A GLN 266.A N GLU 263.A O no hydrogen 2.880 N/A ARG 267.A NE GLN 261.A O no hydrogen 2.736 N/A ARG 267.A NH1 GLU 193.A OE1 no hydrogen 2.799 N/A ARG 267.A NH1 GLU 203.A O no hydrogen 2.616 N/A ARG 267.A NH2 GLU 193.A OE2 no hydrogen 3.101 N/A ARG 267.A NH2 GLN 261.A O no hydrogen 3.320 N/A HIS 268.A N GLY 258.A O no hydrogen 3.387 N/A LYS 271.A NZ VAL 135.A O no hydrogen 2.725 N/A ASP 272.A N SER 269.A O no hydrogen 3.254 N/A VAL 273.A N SER 269.A O no hydrogen 3.157 N/A HIS 274.A N ILE 270.A O no hydrogen 3.014 N/A ALA 275.A N LYS 271.A O no hydrogen 3.236 N/A ARG 276.A N ASP 272.A O no hydrogen 3.392 N/A ARG 276.A NH2 ASP 272.A OD2 no hydrogen 2.436 N/A LEU 277.A N VAL 273.A O no hydrogen 3.102 N/A GLN 278.A N HIS 274.A O no hydrogen 2.803 N/A ALA 279.A N ALA 275.A O no hydrogen 3.116 N/A LEU 280.A N ARG 276.A O no hydrogen 3.222 N/A ALA 281.A N LEU 277.A O no hydrogen 2.687 N/A GLN 282.A N GLN 278.A O no hydrogen 2.671 N/A ALA 283.A N LEU 280.A O no hydrogen 3.370 N/A TYR 287.A N PRO 284.A O no hydrogen 2.971 N/A LEU 288.A N PRO 284.A O no hydrogen 3.373 N/A LEU 288.A N PRO 285.A O no hydrogen 2.845 N/A ASP 289.A N PRO 285.A O no hydrogen 2.715 N/A LEU 291.A N LEU 288.A O no hydrogen 3.160 N/A