Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pum_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 HIS 226.A NE2 no hydrogen 2.985 N/A LYS 8.A N GLU 11.A OE1 no hydrogen 2.862 N/A GLU 11.A N LYS 8.A O no hydrogen 2.839 N/A MET 12.A N ILE 9.A O no hydrogen 3.142 N/A THR 13.A N GLU 222.A OE2 no hydrogen 2.924 N/A THR 13.A OG1 GLU 222.A OE1 no hydrogen 2.757 N/A ASN 14.A N VAL 19.A O no hydrogen 2.766 N/A ASN 14.A ND2 SER 202.A OG no hydrogen 2.955 N/A ASN 14.A ND2 MET 215.A O no hydrogen 3.067 N/A SER 15.A OG LEU 219.A O no hydrogen 2.784 N/A ARG 16.A N ASN 14.A OD1 no hydrogen 2.744 N/A ARG 16.A NE ASP 99.A OD1 no hydrogen 3.157 N/A ARG 16.A NE ASP 99.A OD2 no hydrogen 2.892 N/A ARG 16.A NH1 GLN 168.A OE1 no hydrogen 2.886 N/A ARG 16.A NH1 ASP 216.A O no hydrogen 2.627 N/A ARG 16.A NH2 ASP 99.A OD1 no hydrogen 2.838 N/A ARG 16.A NH2 GLN 168.A O no hydrogen 2.791 N/A VAL 19.A N PHE 17.A O no hydrogen 2.633 N/A VAL 21.A N MET 12.A O no hydrogen 2.830 N/A ASP 22.A N ARG 201.A O no hydrogen 2.732 N/A GLN 23.A N ARG 201.A O no hydrogen 2.962 N/A TYR 25.A N PHE 199.A O no hydrogen 2.875 N/A THR 26.A N HIS 271.A O no hydrogen 3.057 N/A THR 26.A OG1 ILE 197.A O no hydrogen 2.906 N/A SER 27.A OG ASP 270.A OD2 no hydrogen 2.511 N/A ARG 28.A N ASP 270.A OD1 no hydrogen 3.292 N/A SER 29.A N SER 27.A OG no hydrogen 2.803 N/A GLN 35.A NE2 ALA 185.A O no hydrogen 2.964 N/A GLN 37.A N ASP 99.A OD2 no hydrogen 3.050 N/A GLN 37.A NE2 GLN 35.A O no hydrogen 3.039 N/A GLN 37.A NE2 ALA 185.A O no hydrogen 3.186 N/A ASN 38.A N ASP 99.A OD2 no hydrogen 3.158 N/A ASN 38.A ND2 CYS 97.A O no hydrogen 2.763 N/A ARG 40.A N THR 51.A OG1 no hydrogen 2.809 N/A ARG 40.A NH1 PRO 36.A O no hydrogen 2.628 N/A ARG 40.A NH1 PRO 186.A O no hydrogen 3.180 N/A ARG 40.A NH2 PRO 186.A O no hydrogen 2.718 N/A THR 42.A N GLU 46.A O no hydrogen 3.018 N/A THR 42.A OG1 GLU 46.A O no hydrogen 3.552 N/A ILE 43.A N LYS 259.A O no hydrogen 3.034 N/A GLY 45.A N THR 42.A O no hydrogen 2.915 N/A GLU 46.A N THR 42.A OG1 no hydrogen 3.001 N/A LEU 48.A N ARG 40.A O no hydrogen 2.847 N/A THR 50.A N GLN 37.A O no hydrogen 3.078 N/A THR 50.A OG1 GLN 37.A O no hydrogen 3.543 N/A THR 50.A OG1 ASN 38.A OD1 no hydrogen 2.659 N/A THR 51.A N LEU 48.A O no hydrogen 3.030 N/A THR 51.A OG1 GLN 37.A O no hydrogen 3.009 N/A THR 51.A OG1 ARG 40.A O no hydrogen 3.410 N/A THR 51.A OG1 LEU 48.A O no hydrogen 3.029 N/A SER 54.A OG SER 57.A OG no hydrogen 2.661 N/A SER 57.A OG SER 54.A OG no hydrogen 2.661 N/A CYS 59.A N GLY 96.A O no hydrogen 2.651 N/A CYS 59.A SG ARG 16.A O no hydrogen 3.599 N/A ASN 60.A N SER 57.A O no hydrogen 2.965 N/A PHE 61.A N PHE 155.A O no hydrogen 3.157 N/A GLY 63.A N THR 153.A O no hydrogen 2.984 N/A ASN 64.A N GLN 76.A O no hydrogen 2.938 N/A GLN 66.A N ASN 64.A O no hydrogen 2.901 N/A VAL 69.A N LEU 72.A O no hydrogen 3.083 N/A TYR 73.A N PHE 140.A O no hydrogen 2.853 N/A TYR 73.A OH SER 144.A O no hydrogen 2.998 N/A GLN 74.A N ALA 67.A O no hydrogen 2.844 N/A GLN 74.A NE2 LEU 75.A O no hydrogen 3.424 N/A LEU 75.A N VAL 138.A O no hydrogen 2.681 N/A GLN 76.A N ASN 64.A O no hydrogen 2.852 N/A LEU 77.A N GLY 136.A O no hydrogen 3.110 N/A THR 78.A N LYS 62.A O no hydrogen 3.094 N/A THR 78.A OG1 ASN 79.A O no hydrogen 3.103 N/A ASN 79.A N SER 83.A O no hydrogen 2.660 N/A GLY 82.A N ASN 79.A O no hydrogen 2.798 N/A SER 83.A N ASP 81.A OD1 no hydrogen 2.944 N/A SER 83.A OG ASN 79.A OD1 no hydrogen 3.264 N/A SER 83.A OG ASP 81.A OD1 no hydrogen 2.948 N/A THR 88.A N ASP 86.A OD2 no hydrogen 2.942 N/A THR 88.A OG1 ASP 86.A OD1 no hydrogen 3.027 N/A THR 88.A OG1 ASP 86.A OD2 no hydrogen 2.437 N/A ASP 89.A N ASP 86.A O no hydrogen 2.948 N/A THR 91.A OG1 GLY 93.A O no hydrogen 3.007 N/A GLY 96.A N THR 50.A O no hydrogen 2.825 N/A CYS 97.A N PRO 94.A O no hydrogen 3.060 N/A CYS 97.A SG PRO 98.A O no hydrogen 3.473 N/A THR 101.A N ASN 167.A O no hydrogen 3.364 N/A THR 101.A OG1 ASN 167.A O no hydrogen 3.525 N/A THR 101.A OG1 GLN 170.A O no hydrogen 3.569 N/A THR 101.A OG1 GLN 170.A OE1 no hydrogen 2.731 N/A GLY 102.A N THR 126.A OG1 no hydrogen 2.971 N/A LEU 104.A N ILE 124.A O no hydrogen 2.975 N/A TYR 105.A N GLY 159.A O no hydrogen 2.674 N/A TYR 105.A OH GLU 121.A OE2 no hydrogen 2.639 N/A GLY 106.A N ALA 122.A O no hydrogen 2.921 N/A VAL 107.A N THR 156.A O no hydrogen 2.899 N/A ALA 108.A N HIS 120.A O no hydrogen 2.898 N/A SER 109.A N HIS 154.A O no hydrogen 2.828 N/A GLN 110.A N ARG 118.A O no hydrogen 2.858 N/A GLN 110.A NE2 GLU 148.A O no hydrogen 2.683 N/A GLN 110.A NE2 GLN 151.A O no hydrogen 3.624 N/A GLN 110.A NE2 THR 153.A OG1 no hydrogen 2.909 N/A GLY 112.A N ALA 116.A O no hydrogen 2.607 N/A ALA 116.A N PRO 113.A O no hydrogen 2.949 N/A ARG 118.A N GLN 110.A O no hydrogen 3.212 N/A ARG 118.A NH1 GLN 110.A OE1 no hydrogen 2.948 N/A ARG 118.A NH1 GLY 112.A O no hydrogen 3.105 N/A ARG 118.A NH2 GLY 112.A O no hydrogen 2.862 N/A HIS 120.A N ALA 108.A O no hydrogen 3.055 N/A HIS 120.A NE2 ASP 146.A OD2 no hydrogen 2.869 N/A ALA 122.A N GLY 106.A O no hydrogen 2.889 N/A ARG 123.A N TYR 141.A O no hydrogen 2.796 N/A ILE 124.A N LEU 104.A O no hydrogen 3.063 N/A THR 126.A N GLY 102.A O no hydrogen 3.086 N/A THR 126.A OG1 PHE 100.A O no hydrogen 2.679 N/A THR 126.A OG1 GLY 102.A O no hydrogen 3.329 N/A GLY 127.A N ASP 125.A OD1 no hydrogen 2.625 N/A SER 128.A N ASP 125.A O no hydrogen 2.809 N/A PHE 131.A N SER 128.A O no hydrogen 3.088 N/A ALA 132.A N GLN 137.A O no hydrogen 2.774 N/A LYS 134.A N TYR 174.A O no hydrogen 2.919 N/A LYS 134.A NZ THR 91.A O no hydrogen 2.780 N/A ILE 135.A N ALA 132.A O no hydrogen 3.125 N/A GLY 136.A N PRO 133.A O no hydrogen 3.063 N/A GLN 137.A N ALA 132.A O no hydrogen 3.014 N/A ARG 139.A NE GLN 74.A OE1 no hydrogen 2.896 N/A PHE 140.A N TYR 73.A O no hydrogen 2.952 N/A TYR 141.A N ARG 123.A O no hydrogen 2.834 N/A SER 142.A N GLN 71.A O no hydrogen 2.887 N/A SER 142.A OG GLU 121.A O no hydrogen 2.907 N/A SER 142.A OG SER 144.A O no hydrogen 3.349 N/A SER 144.A N SER 142.A OG no hydrogen 3.063 N/A ASP 146.A N SER 144.A OG no hydrogen 2.881 N/A PHE 147.A N SER 145.A O no hydrogen 2.838 N/A GLU 148.A N GLN 110.A OE1 no hydrogen 2.648 N/A ASN 150.A N LEU 65.A O no hydrogen 2.725 N/A ASN 150.A ND2 ASN 64.A OD1 no hydrogen 2.990 N/A THR 153.A N GLY 63.A O no hydrogen 2.834 N/A THR 153.A OG1 GLN 151.A O no hydrogen 2.857 N/A HIS 154.A N SER 109.A O no hydrogen 2.865 N/A PHE 155.A N PHE 61.A O no hydrogen 2.736 N/A THR 156.A N VAL 107.A O no hydrogen 2.841 N/A THR 156.A OG1 HIS 154.A ND1 no hydrogen 3.406 N/A ILE 158.A N TYR 105.A O no hydrogen 2.917 N/A GLY 159.A N TYR 105.A O no hydrogen 3.008 N/A ILE 160.A N PRO 205.A O no hydrogen 2.996 N/A TYR 161.A N LEU 103.A O no hydrogen 2.817 N/A ILE 162.A N SER 208.A O no hydrogen 3.081 N/A ASN 167.A N THR 101.A O no hydrogen 2.819 N/A GLN 168.A NE2 ASP 216.A OD2 no hydrogen 2.926 N/A TRP 169.A N ASN 167.A OD1 no hydrogen 3.049 N/A GLN 170.A N ASN 167.A O no hydrogen 3.065 N/A ARG 173.A NH2 ASP 129.A OD1 no hydrogen 2.511 N/A TYR 174.A N ASN 181.A OD1 no hydrogen 2.975 N/A GLY 176.A N ARG 173.A O no hydrogen 2.952 N/A HIS 177.A N ASP 129.A O no hydrogen 3.218 N/A ALA 179.A N GLY 176.A O no hydrogen 3.058 N/A ASN 181.A ND2 PRO 172.A O no hydrogen 3.045 N/A ALA 185.A N GLN 37.A OE1 no hydrogen 2.765 N/A VAL 188.A N VAL 34.A O no hydrogen 2.949 N/A GLU 195.A N PHE 192.A O no hydrogen 3.175 N/A GLN 196.A N ILE 265.A O no hydrogen 2.959 N/A GLN 196.A NE2 THR 26.A OG1 no hydrogen 3.151 N/A GLN 196.A NE2 GLY 269.A O no hydrogen 2.933 N/A LEU 198.A N MET 263.A O no hydrogen 2.869 N/A PHE 199.A N TYR 25.A O no hydrogen 2.661 N/A PHE 200.A N CYS 217.A O no hydrogen 2.915 N/A ARG 201.A N GLN 23.A O no hydrogen 2.809 N/A ARG 201.A NE ASP 216.A OD1 no hydrogen 2.680 N/A ARG 201.A NH2 ASP 216.A OD1 no hydrogen 3.503 N/A ARG 201.A NH2 ASP 216.A OD2 no hydrogen 2.885 N/A SER 202.A N MET 215.A O no hydrogen 3.151 N/A SER 202.A OG PRO 20.A O no hydrogen 2.712 N/A PHE 203.A N ASP 22.A OD2 no hydrogen 2.612 N/A ILE 204.A N GLY 213.A O no hydrogen 2.891 N/A ALA 207.A N ILE 160.A O no hydrogen 2.856 N/A GLY 213.A N THR 211.A OG1 no hydrogen 3.026 N/A MET 215.A N SER 202.A O no hydrogen 2.952 N/A ASP 216.A N GLN 168.A OE1 no hydrogen 2.764 N/A CYS 217.A N PHE 200.A O no hydrogen 3.121 N/A CYS 217.A SG PHE 200.A O no hydrogen 3.311 N/A CYS 217.A SG LEU 219.A O no hydrogen 3.366 N/A GLN 221.A N THR 13.A O no hydrogen 2.837 N/A GLN 221.A NE2 LEU 52.A O no hydrogen 2.988 N/A GLN 221.A NE2 VAL 53.A O no hydrogen 2.899 N/A GLU 222.A N GLU 222.A OE2 no hydrogen 2.674 N/A PHE 223.A N PRO 220.A O no hydrogen 2.959 N/A VAL 224.A N PRO 220.A O no hydrogen 3.468 N/A GLN 225.A N GLN 221.A O no hydrogen 2.999 N/A GLN 225.A NE2 VAL 53.A O no hydrogen 3.122 N/A HIS 226.A N GLU 222.A O no hydrogen 2.939 N/A HIS 226.A NE2 THR 3.A OG1 no hydrogen 2.985 N/A PHE 227.A N PHE 223.A O no hydrogen 2.932 N/A TYR 228.A N VAL 224.A O no hydrogen 2.980 N/A GLN 229.A N GLN 225.A O no hydrogen 2.891 N/A GLU 230.A N HIS 226.A O no hydrogen 2.740 N/A ALA 231.A N PHE 227.A O no hydrogen 2.946 N/A SER 236.A OG VAL 287.A O no hydrogen 2.598 N/A VAL 238.A N SER 236.A OG no hydrogen 3.353 N/A ALA 239.A N LEU 257.A O no hydrogen 2.776 N/A LEU 240.A N ALA 285.A O no hydrogen 2.768 N/A LEU 241.A N SER 255.A O no hydrogen 2.799 N/A ARG 242.A N ARG 282.A O no hydrogen 2.993 N/A PHE 243.A N PHE 253.A O no hydrogen 2.976 N/A VAL 244.A N TYR 280.A O no hydrogen 3.001 N/A ASN 245.A N ARG 250.A O no hydrogen 3.317 N/A ASP 247.A N ASN 245.A OD1 no hydrogen 2.966 N/A GLY 249.A N ASN 245.A O no hydrogen 2.782 N/A ARG 250.A N THR 248.A OG1 no hydrogen 3.061 N/A LEU 252.A N PHE 243.A O no hydrogen 2.830 N/A SER 255.A N LEU 241.A O no hydrogen 3.044 N/A SER 255.A OG THR 264.A O no hydrogen 2.899 N/A LYS 256.A N THR 264.A O no hydrogen 2.989 N/A LYS 256.A NZ GLU 195.A OE1 no hydrogen 3.216 N/A LYS 256.A NZ GLN 289.A O no hydrogen 2.665 N/A LYS 256.A NZ TYR 291.A O no hydrogen 2.891 N/A LEU 257.A N ALA 239.A O no hydrogen 2.804 N/A HIS 258.A N PHE 262.A O no hydrogen 2.838 N/A HIS 258.A NE2 THR 264.A OG1 no hydrogen 2.871 N/A LYS 259.A N GLU 237.A O no hydrogen 2.965 N/A GLY 261.A N HIS 258.A O no hydrogen 2.817 N/A THR 264.A N LYS 256.A O no hydrogen 3.122 N/A THR 264.A OG1 GLU 195.A OE2 no hydrogen 2.998 N/A THR 264.A OG1 HIS 258.A NE2 no hydrogen 2.871 N/A ILE 265.A N GLN 196.A O no hydrogen 2.896 N/A SER 267.A N GLY 194.A O no hydrogen 3.008 N/A SER 267.A OG HIS 271.A NE2 no hydrogen 3.070 N/A GLY 269.A N GLN 196.A OE1 no hydrogen 3.043 N/A HIS 271.A N THR 26.A O no hydrogen 3.091 N/A ILE 273.A N MET 24.A O no hydrogen 3.039 N/A GLY 279.A N PRO 276.A O no hydrogen 2.945 N/A TYR 280.A N VAL 244.A O no hydrogen 3.183 N/A ARG 282.A N ARG 242.A O no hydrogen 2.999 N/A ARG 282.A NH2 TYR 280.A OH no hydrogen 3.444 N/A GLU 284.A N LEU 240.A O no hydrogen 2.947 N/A VAL 287.A N VAL 238.A O no hydrogen 2.850 N/A PHE 290.A N ASN 288.A OD1 no hydrogen 2.457 N/A TYR 291.A N ASN 288.A O no hydrogen 3.316 N/A VAL 296.A N ALA 266.A O no hydrogen 3.087 N/A