Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5j1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N SER 26.A OG no hydrogen 3.208 N/A HIS 4.A N TRP 24.A O no hydrogen 2.821 N/A VAL 5.A N GLY 93.A O no hydrogen 2.659 N/A ILE 6.A N SER 22.A O no hydrogen 2.760 N/A TRP 7.A N VAL 91.A O no hydrogen 2.841 N/A ILE 8.A N LEU 20.A O no hydrogen 2.782 N/A ALA 9.A N ILE 89.A O no hydrogen 2.887 N/A SER 10.A N GLN 18.A O no hydrogen 2.847 N/A SER 10.A OG GLU 88.A OE2 no hydrogen 2.640 N/A PHE 11.A N PHE 87.A O no hydrogen 2.804 N/A TYR 12.A N TRP 16.A O no hydrogen 3.180 N/A ASN 13.A N TRP 16.A O no hydrogen 3.522 N/A SER 15.A N ASN 13.A OD1 no hydrogen 2.764 N/A TRP 16.A N ASN 13.A O no hydrogen 3.216 N/A GLN 18.A N SER 10.A O no hydrogen 2.960 N/A GLN 18.A NE2 GLN 18.A O no hydrogen 3.085 N/A LEU 20.A N ILE 8.A O no hydrogen 2.766 N/A SER 22.A N ILE 6.A O no hydrogen 2.913 N/A GLY 23.A N HIS 31.A O no hydrogen 2.874 N/A TRP 24.A N HIS 4.A O no hydrogen 2.724 N/A TRP 24.A NE1 SER 22.A OG no hydrogen 2.568 N/A LEU 25.A N LEU 28.A O no hydrogen 2.788 N/A SER 26.A N SER 2.A O no hydrogen 3.056 N/A LEU 28.A N LEU 25.A O no hydrogen 3.205 N/A GLN 29.A NE2 HIS 31.A O no hydrogen 3.507 N/A THR 30.A N GLY 23.A O no hydrogen 2.764 N/A THR 30.A OG1 GLY 23.A O no hydrogen 3.154 N/A THR 30.A OG1 HIS 31.A ND1 no hydrogen 2.889 N/A HIS 31.A N GLY 23.A O no hydrogen 3.268 N/A HIS 31.A ND1 THR 30.A OG1 no hydrogen 2.889 N/A HIS 31.A NE2 SER 47.A O no hydrogen 2.851 N/A THR 32.A N VAL 41.A O no hydrogen 3.013 N/A TRP 33.A N VAL 21.A O no hydrogen 3.027 N/A ASP 34.A N THR 39.A O no hydrogen 3.168 N/A SER 35.A OG ASN 19.A O no hydrogen 3.061 N/A SER 37.A OG THR 39.A OG1 no hydrogen 2.933 N/A SER 38.A N ASP 34.A O no hydrogen 2.797 N/A THR 39.A OG1 SER 37.A OG no hydrogen 2.933 N/A ILE 40.A N GLU 60.A OE2 no hydrogen 2.952 N/A VAL 41.A N THR 32.A O no hydrogen 2.796 N/A LEU 43.A N THR 30.A O no hydrogen 3.109 N/A TRP 44.A N SER 47.A OG no hydrogen 2.946 N/A TRP 44.A NE1 GLN 29.A O no hydrogen 3.063 N/A SER 47.A N TRP 44.A O no hydrogen 3.053 N/A SER 47.A OG THR 30.A O no hydrogen 2.874 N/A SER 47.A OG TRP 44.A O no hydrogen 3.323 N/A GLY 49.A N TRP 46.A O no hydrogen 2.873 N/A GLU 55.A N SER 52.A OG no hydrogen 3.223 N/A TRP 56.A N SER 52.A O no hydrogen 2.925 N/A TRP 56.A NE1 ARG 48.A O no hydrogen 2.720 N/A LYS 57.A N ASN 53.A O no hydrogen 2.987 N/A GLU 58.A N GLU 54.A O no hydrogen 3.192 N/A LEU 59.A N GLU 55.A O no hydrogen 3.198 N/A GLU 60.A N TRP 56.A O no hydrogen 2.936 N/A THR 61.A N LYS 57.A O no hydrogen 2.964 N/A LEU 62.A N GLU 58.A O no hydrogen 2.967 N/A PHE 63.A N LEU 59.A O no hydrogen 3.010 N/A ARG 64.A N GLU 60.A O no hydrogen 2.975 N/A ILE 65.A N THR 61.A O no hydrogen 3.164 N/A ARG 66.A N LEU 62.A O no hydrogen 3.164 N/A ARG 66.A NH1 THR 144.A OG1 no hydrogen 3.078 N/A ARG 66.A NH2 GLU 140.A O no hydrogen 3.004 N/A ARG 66.A NH2 GLU 140.A OE1 no hydrogen 3.171 N/A ARG 66.A NH2 THR 144.A OG1 no hydrogen 3.357 N/A THR 67.A N PHE 63.A O no hydrogen 3.114 N/A THR 67.A OG1 PHE 63.A O no hydrogen 3.163 N/A THR 67.A OG1 ARG 64.A O no hydrogen 2.897 N/A ARG 69.A N ILE 65.A O no hydrogen 3.072 N/A ARG 69.A NH2 GLU 140.A OE1 no hydrogen 2.839 N/A SER 70.A N ARG 66.A O no hydrogen 2.979 N/A SER 70.A OG ARG 66.A O no hydrogen 2.580 N/A PHE 71.A N THR 67.A O no hydrogen 3.009 N/A GLU 72.A N ILE 68.A O no hydrogen 3.116 N/A GLY 73.A N ARG 69.A O no hydrogen 2.929 N/A ILE 74.A N SER 70.A O no hydrogen 2.926 N/A ARG 75.A N PHE 71.A O no hydrogen 3.101 N/A ARG 76.A N GLU 72.A O no hydrogen 2.871 N/A TYR 77.A N GLY 73.A O no hydrogen 2.990 N/A LEU 81.A N TYR 77.A O no hydrogen 2.803 N/A GLN 82.A N HIS 79.A O no hydrogen 2.955 N/A PHE 83.A N ALA 78.A O no hydrogen 2.716 N/A PHE 87.A N PHE 11.A O no hydrogen 2.885 N/A GLU 88.A N GLN 105.A OE1 no hydrogen 2.945 N/A ILE 89.A N ALA 9.A O no hydrogen 2.829 N/A GLN 90.A N ALA 103.A O no hydrogen 2.995 N/A VAL 91.A N TRP 7.A O no hydrogen 2.932 N/A THR 92.A N GLN 101.A O no hydrogen 3.005 N/A THR 92.A OG1 VAL 5.A O no hydrogen 3.350 N/A GLY 93.A N VAL 5.A O no hydrogen 3.201 N/A GLY 94.A N PHE 99.A O no hydrogen 2.955 N/A CYS 95.A N PHE 3.A O no hydrogen 2.854 N/A GLU 96.A N GLY 97.A O no hydrogen 2.973 N/A PHE 99.A N GLY 94.A O no hydrogen 3.035 N/A GLN 101.A N THR 92.A O no hydrogen 2.884 N/A LEU 102.A N VAL 110.A O no hydrogen 2.859 N/A ALA 103.A N GLN 90.A O no hydrogen 2.770 N/A TYR 104.A N SER 107.A O no hydrogen 3.057 N/A GLN 105.A N GLU 88.A O no hydrogen 2.971 N/A GLN 105.A NE2 PRO 86.A O no hydrogen 3.424 N/A SER 107.A N TYR 104.A O no hydrogen 3.127 N/A PHE 109.A N LEU 102.A O no hydrogen 2.895 N/A VAL 110.A N LEU 102.A O no hydrogen 3.107 N/A SER 111.A N LEU 118.A O no hydrogen 2.920 N/A PHE 112.A N LEU 100.A O no hydrogen 2.826 N/A GLN 113.A N SER 116.A O no hydrogen 2.878 N/A GLN 113.A NE2 SER 111.A OG no hydrogen 3.081 N/A SER 116.A N GLN 113.A O no hydrogen 3.253 N/A TRP 117.A N ASN 135.A OD1 no hydrogen 2.863 N/A LEU 118.A N SER 111.A O no hydrogen 2.747 N/A TYR 120.A N PHE 109.A O no hydrogen 2.861 N/A TYR 120.A OH GLN 101.A OE1 no hydrogen 2.762 N/A ALA 123.A N TYR 120.A O no hydrogen 2.938 N/A GLY 124.A N PRO 121.A O no hydrogen 3.296 N/A LYS 128.A N GLY 124.A O no hydrogen 3.287 N/A HIS 129.A N ASN 125.A O no hydrogen 2.925 N/A PHE 130.A N MET 126.A O no hydrogen 2.908 N/A CYS 131.A N ALA 127.A O no hydrogen 3.062 N/A CYS 131.A SG ALA 127.A O no hydrogen 3.379 N/A LYS 132.A N LYS 128.A O no hydrogen 3.157 N/A VAL 133.A N HIS 129.A O no hydrogen 3.414 N/A LEU 134.A N PHE 130.A O no hydrogen 2.807 N/A ASN 135.A N CYS 131.A O no hydrogen 2.833 N/A ASN 135.A ND2 TRP 117.A O no hydrogen 2.979 N/A GLN 138.A NE2 ASN 115.A O no hydrogen 3.178 N/A GLN 138.A NE2 ASP 142.A OD1 no hydrogen 3.248 N/A GLU 140.A N ASN 137.A OD1 no hydrogen 2.901 N/A ASN 141.A N ASN 137.A O no hydrogen 3.442 N/A ASN 141.A ND2 ASN 115.A O no hydrogen 3.552 N/A ASN 141.A ND2 ASN 135.A OD1 no hydrogen 2.798 N/A ASP 142.A N GLN 138.A O no hydrogen 2.891 N/A ILE 143.A N HIS 139.A O no hydrogen 3.075 N/A THR 144.A N GLU 140.A O no hydrogen 3.109 N/A THR 144.A OG1 GLU 140.A O no hydrogen 3.107 N/A HIS 145.A N ASN 141.A O no hydrogen 2.939 N/A HIS 145.A ND1 ASN 114.A O no hydrogen 2.762 N/A ASN 146.A N ASP 142.A O no hydrogen 3.019 N/A ASN 146.A ND2 ASP 150.A OD2 no hydrogen 2.875 N/A LEU 147.A N ILE 143.A O no hydrogen 2.914 N/A LEU 148.A N THR 144.A O no hydrogen 3.117 N/A SER 149.A N HIS 145.A O no hydrogen 2.801 N/A SER 149.A OG HIS 145.A O no hydrogen 2.989 N/A ASP 150.A N ASN 146.A O no hydrogen 2.874 N/A THR 151.A N ASN 146.A O no hydrogen 3.111 N/A CYS 152.A N LEU 147.A O no hydrogen 2.788 N/A PHE 155.A N THR 151.A O no hydrogen 3.106 N/A PHE 155.A N CYS 152.A O no hydrogen 2.991 N/A ILE 156.A N CYS 152.A O no hydrogen 3.086 N/A LEU 157.A N PRO 153.A O no hydrogen 3.425 N/A LEU 159.A N ILE 156.A O no hydrogen 3.266 N/A LEU 160.A N ILE 156.A O no hydrogen 3.000 N/A ASP 161.A N LEU 157.A O no hydrogen 3.238 N/A GLY 163.A N LEU 159.A O no hydrogen 2.839 N/A LYS 164.A N ASP 161.A O no hydrogen 3.071 N/A HIS 166.A N GLY 163.A O no hydrogen 2.901 N/A LEU 167.A N GLY 163.A O no hydrogen 3.035 N/A GLN 168.A N LYS 164.A O no hydrogen 3.164 N/A ARG 169.A N HIS 166.A O no hydrogen 3.312 N/A ARG 169.A NH1 HIS 166.A O no hydrogen 2.886 N/A VAL 171.A N TYR 198.A O no hydrogen 2.766 N/A GLU 174.A N SER 195.A O no hydrogen 2.836 N/A TRP 176.A N HIS 193.A O no hydrogen 3.017 N/A SER 178.A N VAL 191.A O no hydrogen 2.924 N/A SER 178.A OG HIS 193.A NE2 no hydrogen 2.729 N/A GLY 180.A N GLN 189.A O no hydrogen 2.653 N/A HIS 187.A N GLY 184.A O no hydrogen 3.124 N/A HIS 187.A ND1 PRO 185.A O no hydrogen 2.930 N/A LEU 188.A N VAL 237.A O no hydrogen 2.696 N/A LEU 190.A N LEU 235.A O no hydrogen 2.842 N/A VAL 191.A N SER 178.A O no hydrogen 2.894 N/A CYS 192.A N ALA 233.A O no hydrogen 2.788 N/A HIS 193.A N TRP 176.A O no hydrogen 2.794 N/A HIS 193.A ND1 TYR 230.A OH no hydrogen 2.673 N/A HIS 193.A NE2 SER 178.A OG no hydrogen 2.729 N/A VAL 194.A N LEU 231.A O no hydrogen 2.832 N/A SER 195.A N GLU 174.A O no hydrogen 2.850 N/A TYR 198.A N VAL 171.A O no hydrogen 3.159 N/A TRP 203.A N LYS 250.A O no hydrogen 3.033 N/A MET 205.A N ARG 248.A O no hydrogen 3.010 N/A TRP 206.A N THR 216.A OG1 no hydrogen 3.071 N/A TRP 206.A NE1 ALA 233.A O no hydrogen 3.076 N/A MET 207.A N SER 246.A O no hydrogen 2.668 N/A ARG 208.A N GLN 211.A O no hydrogen 2.903 N/A ARG 208.A NH1 GLU 241.A O no hydrogen 2.879 N/A ARG 208.A NH1 ALA 243.A O no hydrogen 2.994 N/A GLN 211.A N ARG 208.A O no hydrogen 3.004 N/A GLN 213.A N TRP 206.A O no hydrogen 2.887 N/A GLN 213.A NE2 GLN 211.A O no hydrogen 3.017 N/A GLN 213.A NE2 GLN 211.A OE1 no hydrogen 2.879 N/A THR 216.A N GLN 213.A O no hydrogen 3.026 N/A THR 216.A OG1 GLN 213.A O no hydrogen 2.780 N/A GLN 217.A N THR 234.A O no hydrogen 2.776 N/A ARG 218.A NH1 VAL 202.A O no hydrogen 2.767 N/A GLY 219.A N ARG 232.A O no hydrogen 2.822 N/A LEU 222.A N TYR 230.A O no hydrogen 2.693 N/A SER 224.A N THR 228.A O no hydrogen 2.966 N/A SER 224.A OG.A ASP 226.A OD1 no hydrogen 2.546 N/A SER 224.A OG.A THR 228.A O no hydrogen 2.742 N/A SER 224.A OG.A THR 228.A OG1 no hydrogen 2.639 N/A GLY 227.A N SER 224.A O no hydrogen 3.036 N/A THR 228.A N ASP 226.A OD1 no hydrogen 3.056 N/A THR 228.A OG1 SER 224.A OG.A no hydrogen 2.639 N/A THR 228.A OG1 ASP 226.A OD1 no hydrogen 2.635 N/A TRP 229.A N PHE 197.A O no hydrogen 3.066 N/A TYR 230.A N LEU 222.A O no hydrogen 2.785 N/A TYR 230.A OH HIS 193.A ND1 no hydrogen 2.673 N/A LEU 231.A N VAL 194.A O no hydrogen 2.848 N/A ALA 233.A N CYS 192.A O no hydrogen 2.828 N/A THR 234.A N GLN 217.A O no hydrogen 2.948 N/A THR 234.A OG1 GLN 217.A O no hydrogen 3.547 N/A LEU 235.A N LEU 190.A O no hydrogen 2.871 N/A VAL 237.A N LEU 188.A O no hydrogen 2.903 N/A ALA 239.A N GLY 186.A O no hydrogen 2.791 N/A GLU 241.A N ALA 238.A O no hydrogen 2.913 N/A SER 246.A N MET 207.A O no hydrogen 2.913 N/A SER 246.A OG MET 207.A O no hydrogen 3.554 N/A CYS 247.A N LEU 261.A O no hydrogen 2.887 N/A ARG 248.A N MET 205.A O no hydrogen 2.886 N/A ARG 248.A NH1 ASP 258.A OD1 no hydrogen 2.924 N/A VAL 249.A N ILE 259.A O no hydrogen 2.804 N/A LYS 250.A N TRP 203.A O no hydrogen 2.906 N/A LYS 250.A NZ ASP 258.A OD1 no hydrogen 2.732 N/A HIS 251.A ND1 SER 253.A OG no hydrogen 2.762 N/A HIS 251.A NE2 PRO 199.A O no hydrogen 2.828 N/A SER 252.A OG GLN 170.A OE1 no hydrogen 2.583 N/A SER 253.A N HIS 251.A ND1 no hydrogen 3.133 N/A SER 253.A OG VAL 171.A O no hydrogen 3.514 N/A SER 253.A OG HIS 251.A ND1 no hydrogen 2.762 N/A LEU 254.A N HIS 251.A O no hydrogen 2.966 N/A GLN 257.A N LEU 254.A O no hydrogen 2.980 N/A ILE 259.A N VAL 249.A O no hydrogen 3.000 N/A LEU 261.A N CYS 247.A O no hydrogen 2.981 N/A TRP 263.A N LEU 245.A O no hydrogen 3.000 N/A GLY 265.A N GLU 264.A OE2 no hydrogen 2.914 N/A LEU 267.A N GLU 264.A O no hydrogen 3.372 N/A VAL 268.A N GLY 265.A O no hydrogen 3.179 N/A ARG 270.A N GLY 265.A O no hydrogen 3.142 N/A ARG 270.A NE GLU 264.A OE1 no hydrogen 3.415 N/A ARG 270.A NE GLU 264.A OE2 no hydrogen 2.666 N/A ARG 270.A NH2 GLU 264.A OE1 no hydrogen 2.719 N/A