Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i99_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N LEU 25.A O no hydrogen 2.585 N/A GLY 7.A N ALA 23.A O no hydrogen 3.076 N/A ASN 9.A ND2 GLU 19.A OE1 no hydrogen 3.084 N/A LEU 10.A N GLN 20.A O no hydrogen 2.830 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 2.999 N/A LYS 11.A NZ GLY 17.A O no hydrogen 3.146 N/A TYR 13.A N LEU 10.A O no hydrogen 2.791 N/A HIS 14.A ND1 LEU 10.A O no hydrogen 2.816 N/A THR 15.A N GLY 54.A O no hydrogen 3.026 N/A THR 15.A OG1 GLY 54.A O no hydrogen 3.427 N/A THR 15.A OG1 ASN 225.A O no hydrogen 2.656 N/A GLY 17.A N HIS 14.A O no hydrogen 3.159 N/A ILE 18.A N HIS 14.A NE2 no hydrogen 3.141 N/A LEU 21.A N GLN 20.A OE1 no hydrogen 3.007 N/A ALA 22.A N ALA 8.A O no hydrogen 2.900 N/A ALA 23.A N TYR 62.A O no hydrogen 2.601 N/A LEU 25.A N GLN 5.A O no hydrogen 2.717 N/A VAL 26.A N ILE 65.A O no hydrogen 2.936 N/A ALA 28.A N VAL 67.A O no hydrogen 2.863 N/A GLU 29.A N ASP 33.A OD2 no hydrogen 2.977 N/A ASP 33.A N SER 30.A OG no hydrogen 3.010 N/A LEU 34.A N SER 30.A O no hydrogen 3.229 N/A LYS 35.A N ILE 31.A O no hydrogen 2.861 N/A ALA 36.A N ASP 32.A O no hydrogen 2.808 N/A LEU 37.A N ASP 33.A O no hydrogen 2.757 N/A TYR 38.A N LEU 34.A O no hydrogen 2.764 N/A CYS 39.A N LYS 35.A O no hydrogen 2.851 N/A SER 40.A OG ALA 36.A O no hydrogen 2.687 N/A SER 40.A OG GLU 42.A O no hydrogen 3.344 N/A GLU 42.A N SER 40.A OG no hydrogen 3.230 N/A ALA 44.A N ALA 41.A O no hydrogen 3.300 N/A LEU 46.A N TRP 43.A O no hydrogen 3.454 N/A LYS 48.A NZ TRP 43.A O no hydrogen 2.775 N/A LYS 48.A NZ LEU 46.A O no hydrogen 2.793 N/A ILE 51.A N VAL 66.A O no hydrogen 2.888 N/A LYS 53.A NZ ASP 91.A OD1 no hydrogen 3.406 N/A ASN 56.A ND2 GLU 322.A O no hydrogen 3.681 N/A CYS 60.A SG HIS 61.A O no hydrogen 3.739 N/A TYR 62.A N LEU 21.A O no hydrogen 2.912 N/A TYR 62.A OH SER 329.A O no hydrogen 2.699 N/A THR 63.A N GLU 328.A O no hydrogen 2.774 N/A THR 63.A OG1 GLU 328.A O no hydrogen 3.264 N/A VAL 66.A N LEU 49.A O no hydrogen 2.763 N/A VAL 67.A N VAL 26.A O no hydrogen 2.659 N/A ASN 68.A N ILE 51.A O no hydrogen 2.852 N/A ARG 69.A N ALA 28.A O no hydrogen 2.799 N/A ARG 69.A NH1 GLY 52.A O no hydrogen 2.813 N/A ARG 69.A NH1 ASN 68.A O no hydrogen 2.951 N/A ARG 69.A NH2 GLY 52.A O no hydrogen 3.217 N/A LEU 70.A N ASN 68.A OD1 no hydrogen 3.368 N/A GLY 72.A N GLU 90.A OE2 no hydrogen 2.650 N/A GLU 74.A N HIS 85.A O no hydrogen 2.792 N/A HIS 75.A NE2 HIS 82.A ND1 no hydrogen 2.838 N/A GLN 76.A N ARG 83.A O no hydrogen 2.890 N/A ASP 78.A N TYR 81.A O no hydrogen 2.650 N/A HIS 82.A N PHE 182.A O no hydrogen 2.849 N/A HIS 82.A ND1 HIS 75.A NE2 no hydrogen 2.838 N/A ARG 83.A N GLN 76.A O no hydrogen 2.795 N/A ARG 83.A NE ASP 137.A OD2 no hydrogen 3.370 N/A ARG 83.A NH1 ASP 78.A OD2 no hydrogen 3.134 N/A LEU 84.A N LEU 180.A O no hydrogen 2.962 N/A HIS 85.A N GLU 74.A O no hydrogen 2.876 N/A HIS 85.A ND1 TYR 138.A OH no hydrogen 2.933 N/A VAL 86.A N VAL 178.A O no hydrogen 2.823 N/A ALA 87.A N GLY 72.A O no hydrogen 2.823 N/A GLY 88.A N THR 176.A O no hydrogen 2.918 N/A GLU 90.A N ALA 87.A O no hydrogen 3.085 N/A TRP 92.A N GLY 115.A O no hydrogen 2.740 N/A TRP 92.A NE1 LEU 110.A O no hydrogen 2.950 N/A SER 94.A N ASP 91.A OD2 no hydrogen 2.958 N/A SER 94.A OG ASP 91.A OD2 no hydrogen 2.732 N/A LEU 95.A N ASP 91.A O no hydrogen 2.966 N/A VAL 96.A N TRP 92.A O no hydrogen 2.930 N/A SER 97.A N PRO 93.A O no hydrogen 3.101 N/A SER 97.A OG SER 94.A O no hydrogen 2.538 N/A TRP 98.A N SER 94.A O no hydrogen 2.981 N/A TRP 98.A N LEU 95.A O no hydrogen 3.215 N/A CYS 99.A N LEU 95.A O no hydrogen 2.962 N/A CYS 99.A SG LEU 95.A O no hydrogen 3.468 N/A VAL 100.A N VAL 96.A O no hydrogen 3.044 N/A GLU 101.A N SER 97.A O no hydrogen 2.961 N/A GLN 102.A N TRP 98.A O no hydrogen 2.780 N/A GLN 102.A NE2 GLU 101.A OE2 no hydrogen 3.135 N/A GLY 103.A N VAL 100.A O no hydrogen 2.915 N/A ILE 104.A N CYS 99.A O no hydrogen 2.746 N/A GLY 106.A N GLU 108.A OE1 no hydrogen 2.614 N/A ASN 109.A ND2 TYR 128.A O no hydrogen 2.768 N/A ASN 109.A ND2 ILE 189.A O no hydrogen 3.021 N/A LEU 110.A N LEU 107.A O no hydrogen 2.973 N/A ALA 111.A N GLU 108.A O no hydrogen 3.020 N/A ILE 113.A N LEU 110.A O no hydrogen 3.425 N/A CYS 116.A SG ASN 68.A O no hydrogen 3.791 N/A CYS 116.A SG GLY 89.A O no hydrogen 3.577 N/A ALA 117.A N GLU 90.A O no hydrogen 2.811 N/A GLY 118.A N GLY 88.A O no hydrogen 2.651 N/A SER 119.A N CYS 116.A O no hydrogen 2.866 N/A ALA 120.A N ALA 117.A O no hydrogen 3.074 N/A ILE 122.A N SER 119.A O no hydrogen 2.989 N/A ASN 124.A N PRO 121.A O no hydrogen 3.077 N/A ASN 124.A ND2 GLU 131.A OE1 no hydrogen 3.319 N/A ASN 124.A ND2 GLY 159.A O no hydrogen 2.926 N/A ILE 125.A N ALA 120.A O no hydrogen 3.181 N/A ALA 127.A N VAL 130.A O no hydrogen 2.857 N/A VAL 130.A N ALA 127.A O no hydrogen 3.058 N/A GLU 131.A N ASP 134.A OD2 no hydrogen 3.117 N/A PHE 132.A N ILE 125.A O no hydrogen 2.750 N/A LYS 133.A N ASN 124.A OD1 no hydrogen 2.917 N/A LYS 133.A NZ GLU 131.A OE1 no hydrogen 2.368 N/A ASP 134.A N GLU 131.A O no hydrogen 2.971 N/A VAL 135.A N PHE 132.A O no hydrogen 2.989 N/A ASP 137.A N GLY 179.A O no hydrogen 2.547 N/A TYR 138.A N GLY 179.A O no hydrogen 3.231 N/A TYR 138.A OH HIS 85.A ND1 no hydrogen 2.933 N/A VAL 139.A N LEU 152.A O no hydrogen 2.943 N/A GLU 140.A N ALA 177.A O no hydrogen 2.878 N/A TYR 141.A N LYS 150.A O no hydrogen 2.936 N/A LEU 142.A N VAL 174.A O no hydrogen 2.745 N/A CYS 143.A N THR 148.A O no hydrogen 2.929 N/A CYS 143.A SG THR 146.A OG1 no hydrogen 3.529 N/A LEU 144.A N LYS 172.A O no hydrogen 3.054 N/A THR 146.A N CYS 143.A O no hydrogen 3.166 N/A THR 146.A OG1 THR 148.A OG1 no hydrogen 2.503 N/A GLY 147.A N CYS 143.A O no hydrogen 2.781 N/A THR 148.A N THR 146.A OG1 no hydrogen 3.118 N/A THR 148.A OG1 THR 146.A OG1 no hydrogen 2.503 N/A LYS 150.A N TYR 141.A O no hydrogen 2.692 N/A ARG 151.A NE GLU 140.A OE2 no hydrogen 3.244 N/A ARG 151.A NH2 GLU 140.A OE2 no hydrogen 2.576 N/A LEU 152.A N VAL 139.A O no hydrogen 2.797 N/A THR 153.A N GLU 155.A OE1 no hydrogen 3.030 N/A GLU 155.A N THR 153.A OG1 no hydrogen 3.130 N/A CYS 156.A N THR 153.A O no hydrogen 3.108 N/A CYS 156.A SG THR 153.A O no hydrogen 3.616 N/A GLN 157.A N GLU 154.A O no hydrogen 3.193 N/A GLY 159.A N ASP 162.A O no hydrogen 2.814 N/A ARG 161.A NE GLU 322.A OE1 no hydrogen 2.956 N/A ARG 161.A NH2 GLY 126.A O no hydrogen 3.382 N/A ASP 162.A N GLY 159.A O no hydrogen 3.071 N/A SER 163.A OG PRO 121.A O no hydrogen 3.177 N/A SER 163.A OG ILE 122.A O no hydrogen 2.807 N/A ILE 164.A N CYS 156.A O no hydrogen 2.783 N/A LYS 166.A N SER 163.A O no hydrogen 2.975 N/A LYS 166.A NZ GLN 123.A OE1 no hydrogen 3.269 N/A LYS 166.A NZ ARG 161.A O no hydrogen 2.909 N/A HIS 167.A N ILE 164.A O no hydrogen 2.781 N/A HIS 167.A ND1 SER 163.A O no hydrogen 3.000 N/A LEU 169.A N ILE 164.A O no hydrogen 2.918 N/A TYR 170.A N HIS 167.A O no hydrogen 3.028 N/A LYS 172.A N LEU 169.A O no hydrogen 2.984 N/A LYS 172.A NZ GLN 168.A O no hydrogen 3.460 N/A VAL 174.A N LEU 142.A O no hydrogen 3.015 N/A THR 176.A N GLU 140.A O no hydrogen 2.860 N/A ALA 177.A N GLU 140.A O no hydrogen 3.404 N/A VAL 178.A N VAL 86.A O no hydrogen 2.772 N/A GLY 179.A N TYR 138.A O no hydrogen 2.787 N/A LEU 180.A N LEU 84.A O no hydrogen 2.961 N/A LYS 181.A N VAL 135.A O no hydrogen 2.682 N/A PHE 182.A N HIS 82.A O no hydrogen 2.878 N/A LYS 184.A N ASP 80.A O no hydrogen 2.827 N/A LYS 184.A NZ GLN 77.A OE1 no hydrogen 3.078 N/A LYS 184.A NZ ASP 78.A O no hydrogen 2.401 N/A TRP 186.A NE1 GLU 108.A OE2 no hydrogen 2.810 N/A LEU 195.A N TYR 192.A O no hydrogen 2.978 N/A LYS 196.A N GLY 193.A O no hydrogen 3.149 N/A ASP 197.A N PRO 194.A O no hydrogen 3.325 N/A LEU 198.A N LEU 195.A O no hydrogen 3.019 N/A CYS 202.A N SER 199.A O no hydrogen 3.236 N/A CYS 202.A SG SER 199.A O no hydrogen 3.345 N/A CYS 202.A SG ALA 203.A O no hydrogen 3.978 N/A ALA 203.A N ASP 206.A OD2 no hydrogen 2.875 N/A VAL 207.A N ALA 203.A O no hydrogen 3.252 N/A TYR 208.A N ILE 204.A O no hydrogen 2.965 N/A GLN 209.A N HIS 205.A O no hydrogen 2.838 N/A ARG 210.A N ASP 206.A O no hydrogen 3.261 N/A ARG 210.A NE PRO 194.A O no hydrogen 3.082 N/A ARG 210.A NH2 ASP 197.A OD2 no hydrogen 3.365 N/A VAL 211.A N VAL 207.A O no hydrogen 2.936 N/A CYS 212.A N TYR 208.A O no hydrogen 2.898 N/A CYS 212.A SG TYR 208.A O no hydrogen 3.381 N/A ALA 213.A N GLN 209.A O no hydrogen 2.792 N/A THR 214.A N ARG 210.A O no hydrogen 3.055 N/A THR 214.A OG1 ARG 210.A O no hydrogen 3.447 N/A ARG 215.A N VAL 211.A O no hydrogen 2.970 N/A LYS 217.A N THR 214.A O no hydrogen 2.924 N/A LEU 218.A N ARG 215.A O no hydrogen 2.954 N/A ALA 222.A N ASP 220.A OD1 no hydrogen 2.957 N/A VAL 223.A N ASP 220.A O no hydrogen 2.704 N/A ASN 225.A N THR 15.A O no hydrogen 3.058 N/A SER 228.A OG GLN 286.A OE1 no hydrogen 3.448 N/A PHE 229.A N LEU 288.A O no hydrogen 2.779 N/A LYS 231.A N GLU 320.A O no hydrogen 2.821 N/A ASN 232.A N TYR 160.A OH no hydrogen 3.083 N/A ILE 235.A N VAL 259.A O no hydrogen 2.710 N/A ALA 239.A N SER 236.A OG no hydrogen 2.879 N/A PHE 240.A N SER 236.A O no hydrogen 2.913 N/A ALA 241.A N GLN 237.A O no hydrogen 2.775 N/A ARG 242.A N GLN 238.A O no hydrogen 2.912 N/A LEU 243.A N ALA 239.A O no hydrogen 3.098 N/A GLN 244.A N PHE 240.A O no hydrogen 2.839 N/A ILE 245.A N ARG 242.A O no hydrogen 3.082 N/A HIS 247.A N LEU 243.A O no hydrogen 2.905 N/A ASP 249.A N ASP 249.A OD2 no hydrogen 2.392 N/A VAL 250.A N HIS 247.A O no hydrogen 3.094 N/A TYR 253.A N LYS 260.A O no hydrogen 2.634 N/A VAL 259.A N ILE 235.A O no hydrogen 2.502 N/A LYS 260.A N TYR 253.A O no hydrogen 3.285 N/A VAL 261.A N PRO 233.A O no hydrogen 2.885 N/A ALA 262.A N VAL 251.A O no hydrogen 2.787 N/A ALA 263.A N ASN 232.A OD1 no hydrogen 2.819 N/A LEU 266.A N ALA 262.A O no hydrogen 3.169 N/A ILE 267.A N ALA 263.A O no hydrogen 2.862 N/A ASP 268.A N GLY 264.A O no hydrogen 2.888 N/A GLN 269.A N TRP 265.A O no hydrogen 2.874 N/A ALA 270.A N LEU 266.A O no hydrogen 2.851 N/A GLY 271.A N ASP 268.A O no hydrogen 2.884 N/A LEU 272.A N ILE 267.A O no hydrogen 3.017 N/A GLY 274.A N VAL 282.A O no hydrogen 2.816 N/A HIS 275.A N LEU 272.A O no hydrogen 2.906 N/A ILE 277.A N ALA 280.A O no hydrogen 2.832 N/A GLY 279.A N ASP 300.A OD2 no hydrogen 2.974 N/A ALA 280.A N ILE 277.A O no hydrogen 2.955 N/A LYS 281.A N VAL 291.A O no hydrogen 2.970 N/A VAL 282.A N HIS 275.A O no hydrogen 2.931 N/A HIS 283.A N VAL 289.A O no hydrogen 3.079 N/A GLN 286.A N HIS 283.A O no hydrogen 3.384 N/A VAL 289.A N GLN 286.A O no hydrogen 3.128 N/A VAL 291.A N LYS 281.A O no hydrogen 2.792 N/A ASN 292.A N GLY 224.A O no hydrogen 2.646 N/A ASN 292.A ND2 PHE 16.A O no hydrogen 3.063 N/A THR 293.A N GLY 279.A O no hydrogen 2.720 N/A THR 293.A OG1 GLY 279.A O no hydrogen 3.219 N/A GLY 294.A N ASN 292.A OD1 no hydrogen 2.668 N/A ALA 296.A N ASN 292.A OD1 no hydrogen 3.103 N/A SER 297.A N ASP 300.A OD2 no hydrogen 3.061 N/A GLN 299.A NE2 THR 59.A O no hydrogen 3.209 N/A ASP 300.A N SER 297.A O no hydrogen 3.126 N/A ASP 300.A N SER 297.A OG no hydrogen 2.881 N/A VAL 301.A N SER 297.A O no hydrogen 3.404 N/A LEU 302.A N ALA 298.A O no hydrogen 2.801 N/A ALA 304.A N VAL 301.A O no hydrogen 2.830 N/A ALA 305.A N LEU 302.A O no hydrogen 2.932 N/A ILE 307.A N LEU 303.A O no hydrogen 2.883 N/A GLN 308.A N ALA 304.A O no hydrogen 3.015 N/A GLN 309.A N ALA 305.A O no hydrogen 2.938 N/A ARG 310.A N ASP 306.A O no hydrogen 3.007 N/A ARG 310.A NE ALA 270.A O no hydrogen 2.729 N/A ARG 310.A NH1 ALA 270.A O no hydrogen 3.364 N/A VAL 311.A N ILE 307.A O no hydrogen 2.696 N/A PHE 312.A N GLN 308.A O no hydrogen 2.942 N/A ASN 313.A N GLN 309.A O no hydrogen 3.077 N/A ASN 313.A N ARG 310.A O no hydrogen 2.999 N/A CYS 314.A N ARG 310.A O no hydrogen 3.052 N/A CYS 314.A SG ARG 310.A O no hydrogen 3.822 N/A TYR 315.A N VAL 311.A O no hydrogen 3.059 N/A GLY 316.A N PHE 312.A O no hydrogen 2.620 N/A GLU 322.A N PHE 229.A O no hydrogen 2.718 N/A ARG 324.A N ASN 56.A O no hydrogen 2.843 N/A ARG 324.A NE GLN 123.A OE1 no hydrogen 3.298 N/A ARG 324.A NH1 GLU 331.A OE1 no hydrogen 2.622 N/A ILE 326.A N LEU 57.A O no hydrogen 2.758 N/A GLY 327.A N GLU 330.A O no hydrogen 2.939 N/A THR 332.A N PHE 325.A O no hydrogen 2.750 N/A