Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qij_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N CYS 16.A O no hydrogen 2.795 N/A CYS 4.A SG GLY 2.A O no hydrogen 3.877 N/A LYS 5.A N TRP 69.A O no hydrogen 3.015 N/A VAL 6.A N TYR 14.A O no hydrogen 2.754 N/A SER 7.A N PHE 71.A O no hydrogen 2.807 N/A LEU 8.A N THR 12.A O no hydrogen 2.797 N/A ASP 11.A N LEU 8.A O no hydrogen 3.121 N/A THR 12.A N ASP 10.A OD1 no hydrogen 3.127 N/A THR 12.A OG1 ASP 10.A OD1 no hydrogen 2.464 N/A TYR 14.A N VAL 6.A O no hydrogen 2.891 N/A CYS 16.A N CYS 4.A O no hydrogen 3.115 N/A VAL 18.A N GLY 2.A O no hydrogen 2.838 N/A ALA 22.A N GLU 19.A O no hydrogen 2.827 N/A LYS 23.A N ASP 26.A OD2 no hydrogen 2.738 N/A GLY 24.A N LYS 61.A O no hydrogen 3.066 N/A GLN 25.A N SER 59.A O no hydrogen 2.893 N/A ASP 26.A N LYS 23.A O no hydrogen 3.073 N/A LEU 28.A N GLY 24.A O no hydrogen 2.873 N/A LYS 29.A N GLN 25.A O no hydrogen 2.765 N/A ARG 30.A N ASP 26.A O no hydrogen 3.455 N/A ARG 30.A NH1 VAL 17.A O no hydrogen 3.541 N/A VAL 31.A N LEU 27.A O no hydrogen 3.068 N/A CYS 32.A N LEU 28.A O no hydrogen 2.943 N/A CYS 32.A SG LEU 28.A O no hydrogen 3.478 N/A GLU 33.A N LYS 29.A O no hydrogen 3.019 N/A HIS 34.A N ARG 30.A O no hydrogen 3.046 N/A LEU 35.A N VAL 31.A O no hydrogen 3.174 N/A ASN 36.A N GLU 33.A O no hydrogen 3.112 N/A LEU 37.A N CYS 32.A O no hydrogen 3.118 N/A PHE 43.A N GLU 40.A O no hydrogen 3.063 N/A GLY 44.A N ASN 74.A O no hydrogen 2.892 N/A ALA 46.A N THR 72.A O no hydrogen 2.818 N/A ILE 47.A N THR 55.A O no hydrogen 2.959 N/A TRP 48.A NE1 THR 72.A OG1 no hydrogen 2.852 N/A ASN 50.A N SER 53.A O no hydrogen 3.396 N/A THR 52.A N ASN 50.A OD1 no hydrogen 3.094 N/A THR 52.A OG1 ASN 50.A OD1 no hydrogen 3.359 N/A SER 53.A N ASN 50.A O no hydrogen 3.328 N/A THR 55.A N ILE 47.A O no hydrogen 2.898 N/A LEU 57.A N LEU 45.A O no hydrogen 2.816 N/A ASP 58.A N GLN 66.A OE1 no hydrogen 2.923 N/A ALA 60.A N ASP 58.A OD1 no hydrogen 2.976 N/A LYS 61.A N ASP 58.A O no hydrogen 3.310 N/A ILE 63.A N ALA 22.A O no hydrogen 2.783 N/A GLN 66.A N ILE 63.A O no hydrogen 2.980 N/A GLN 66.A NE2 ASP 58.A O no hydrogen 3.164 N/A GLN 66.A NE2 GLU 62.A O no hydrogen 3.053 N/A PHE 71.A N LYS 5.A O no hydrogen 2.853 N/A THR 72.A N ALA 46.A O no hydrogen 2.993 N/A THR 72.A OG1 ASN 74.A OD1 no hydrogen 2.526 N/A PHE 73.A N SER 7.A O no hydrogen 3.041 N/A ASN 74.A N GLY 44.A O no hydrogen 2.909 N/A ASN 74.A ND2 GLN 97.A OE1 no hydrogen 3.139 N/A VAL 75.A N GLN 97.A OE1 no hydrogen 2.996 N/A LYS 76.A N TYR 42.A O no hydrogen 2.799 N/A LYS 76.A NZ GLU 264.A OE1 no hydrogen 3.365 N/A LYS 76.A NZ GLU 264.A OE2 no hydrogen 2.515 N/A PHE 77.A N TYR 42.A O no hydrogen 3.090 N/A TYR 78.A OH ASP 101.A OD1 no hydrogen 3.341 N/A TYR 78.A OH ASP 101.A OD2 no hydrogen 2.640 N/A GLN 84.A N ASP 81.A O no hydrogen 3.021 N/A LEU 85.A N PRO 82.A O no hydrogen 3.126 N/A THR 86.A N GLU 39.A OE1 no hydrogen 3.349 N/A GLU 87.A N GLU 39.A OE2 no hydrogen 3.113 N/A THR 90.A OG1 GLU 39.A OE2 no hydrogen 2.820 N/A ARG 91.A N GLU 87.A O no hydrogen 3.338 N/A ARG 91.A NH1 PRO 82.A O no hydrogen 3.116 N/A ARG 91.A NH1 LEU 85.A O no hydrogen 2.695 N/A ARG 91.A NH2 ASP 88.A OD1 no hydrogen 2.978 N/A TYR 92.A N ASP 88.A O no hydrogen 2.898 N/A TYR 93.A N ILE 89.A O no hydrogen 2.972 N/A LEU 94.A N THR 90.A O no hydrogen 2.983 N/A CYS 95.A N ARG 91.A O no hydrogen 3.041 N/A CYS 95.A SG ARG 91.A O no hydrogen 3.438 N/A CYS 95.A SG ASP 172.A O no hydrogen 3.775 N/A LEU 96.A N TYR 92.A O no hydrogen 2.957 N/A GLN 97.A N TYR 93.A O no hydrogen 2.893 N/A GLN 97.A NE2 GLN 97.A O no hydrogen 3.272 N/A GLN 97.A NE2 ASP 101.A OD1 no hydrogen 2.859 N/A LEU 98.A N LEU 94.A O no hydrogen 2.909 N/A ARG 99.A N CYS 95.A O no hydrogen 2.883 N/A ARG 99.A NH1 GLU 125.A OE2 no hydrogen 2.942 N/A GLN 100.A N LEU 96.A O no hydrogen 3.136 N/A ASP 101.A N GLN 97.A O no hydrogen 2.867 N/A ILE 102.A N LEU 98.A O no hydrogen 2.775 N/A VAL 103.A N ARG 99.A O no hydrogen 2.965 N/A ALA 104.A N GLN 100.A O no hydrogen 2.896 N/A GLY 105.A N ILE 102.A O no hydrogen 3.124 N/A ARG 106.A N ASP 101.A O no hydrogen 2.901 N/A ARG 106.A NE ASP 101.A OD1 no hydrogen 3.389 N/A ARG 106.A NH2 ASP 101.A OD1 no hydrogen 2.913 N/A LEU 107.A N ASP 101.A O no hydrogen 3.197 N/A CYS 109.A SG LEU 107.A O no hydrogen 3.545 N/A SER 110.A OG THR 113.A OG1 no hydrogen 3.255 N/A THR 113.A N SER 110.A OG no hydrogen 3.276 N/A THR 113.A OG1 SER 110.A OG no hydrogen 3.255 N/A LEU 114.A N SER 110.A O no hydrogen 2.918 N/A ALA 115.A N PHE 111.A O no hydrogen 2.985 N/A LEU 116.A N ALA 112.A O no hydrogen 2.923 N/A LEU 117.A N THR 113.A O no hydrogen 2.846 N/A GLY 118.A N LEU 114.A O no hydrogen 2.773 N/A SER 119.A N ALA 115.A O no hydrogen 2.808 N/A SER 119.A OG LEU 116.A O no hydrogen 2.733 N/A SER 119.A OG TYR 163.A OH no hydrogen 2.563 N/A TYR 120.A N LEU 116.A O no hydrogen 3.298 N/A THR 121.A N LEU 117.A O no hydrogen 2.945 N/A THR 121.A OG1 LEU 117.A O no hydrogen 3.399 N/A ILE 122.A N GLY 118.A O no hydrogen 2.979 N/A GLN 123.A N SER 119.A O no hydrogen 3.014 N/A GLN 123.A NE2 ASP 128.A OD1 no hydrogen 2.764 N/A GLN 123.A NE2 MET 166.A O no hydrogen 3.058 N/A SER 124.A N TYR 120.A O no hydrogen 2.935 N/A SER 124.A OG TYR 120.A O no hydrogen 3.318 N/A SER 124.A OG THR 121.A O no hydrogen 2.906 N/A GLU 125.A N THR 121.A O no hydrogen 3.015 N/A GLU 125.A N ILE 122.A O no hydrogen 3.272 N/A LEU 126.A N ILE 122.A O no hydrogen 2.922 N/A GLY 127.A N GLN 123.A O no hydrogen 2.825 N/A TYR 129.A OH GLY 135.A O no hydrogen 2.476 N/A ASP 130.A N HIS 134.A ND1 no hydrogen 3.179 N/A LEU 133.A N ASP 130.A OD2 no hydrogen 3.181 N/A HIS 134.A N ASP 130.A O no hydrogen 2.794 N/A GLY 135.A N PRO 131.A O no hydrogen 3.333 N/A TYR 138.A OH HIS 160.A ND1 no hydrogen 2.706 N/A SER 140.A OG GLU 153.A OE1 no hydrogen 3.014 N/A SER 140.A OG GLU 153.A OE2 no hydrogen 3.010 N/A PHE 142.A N VAL 139.A O no hydrogen 2.984 N/A LEU 144.A N GLN 148.A OE1 no hydrogen 2.667 N/A GLN 148.A NE2 VAL 139.A O no hydrogen 3.367 N/A GLN 148.A NE2 PHE 142.A O no hydrogen 2.759 N/A GLN 148.A NE2 GLU 153.A OE2 no hydrogen 2.950 N/A LEU 152.A N THR 149.A OG1 no hydrogen 3.038 N/A GLU 153.A N THR 149.A O no hydrogen 2.885 N/A GLU 154.A N LYS 150.A O no hydrogen 2.832 N/A LYS 155.A N GLU 151.A O no hydrogen 3.102 N/A VAL 156.A N LEU 152.A O no hydrogen 2.951 N/A MET 157.A N GLU 153.A O no hydrogen 2.948 N/A GLU 158.A N GLU 154.A O no hydrogen 3.032 N/A LEU 159.A N LYS 155.A O no hydrogen 3.020 N/A HIS 160.A N VAL 156.A O no hydrogen 2.811 N/A HIS 160.A ND1 TYR 138.A OH no hydrogen 2.706 N/A HIS 160.A NE2 GLY 127.A O no hydrogen 2.859 N/A LYS 161.A N MET 157.A O no hydrogen 2.937 N/A SER 162.A N LEU 159.A O no hydrogen 3.025 N/A SER 162.A OG LEU 159.A O no hydrogen 2.642 N/A TYR 163.A N HIS 160.A O no hydrogen 3.014 N/A TYR 163.A OH SER 119.A OG no hydrogen 2.563 N/A THR 167.A N GLN 170.A OE1 no hydrogen 3.144 N/A GLN 170.A N THR 167.A OG1 no hydrogen 3.003 N/A ALA 171.A N THR 167.A O no hydrogen 2.867 N/A ASP 172.A N PRO 168.A O no hydrogen 2.841 N/A LEU 173.A N ALA 169.A O no hydrogen 3.138 N/A GLU 174.A N GLN 170.A O no hydrogen 3.055 N/A PHE 175.A N ALA 171.A O no hydrogen 2.906 N/A LEU 176.A N ASP 172.A O no hydrogen 2.904 N/A GLU 177.A N LEU 173.A O no hydrogen 2.878 N/A ASN 178.A N GLU 174.A O no hydrogen 3.253 N/A ASN 178.A ND2 GLU 174.A O no hydrogen 2.802 N/A ALA 179.A N PHE 175.A O no hydrogen 2.756 N/A LYS 180.A N LEU 176.A O no hydrogen 2.962 N/A LYS 180.A NZ ASP 81.A OD1 no hydrogen 2.624 N/A LYS 180.A NZ GLU 177.A OE2 no hydrogen 3.064 N/A LYS 181.A N ASN 178.A O no hydrogen 3.267 N/A LYS 181.A NZ GLU 177.A O no hydrogen 2.782 N/A LEU 182.A N ALA 179.A O no hydrogen 3.007 N/A TYR 185.A N LEU 182.A O no hydrogen 3.138 N/A TYR 185.A OH PRO 79.A O no hydrogen 2.654 N/A VAL 187.A N MET 184.A O no hydrogen 3.132 N/A ASP 188.A N VAL 204.A O no hydrogen 2.933 N/A HIS 190.A N LEU 202.A O no hydrogen 2.793 N/A HIS 190.A NE2 ASP 188.A OD2 no hydrogen 3.029 N/A ALA 192.A N ILE 200.A O no hydrogen 3.133 N/A LYS 193.A N LYS 248.A O no hydrogen 2.742 N/A LYS 193.A NZ GLY 197.A O no hydrogen 3.212 N/A LYS 193.A NZ ASP 199.A OD1 no hydrogen 3.091 N/A LYS 193.A NZ ASP 199.A OD2 no hydrogen 3.355 N/A ASP 194.A N VAL 198.A O no hydrogen 2.999 N/A GLY 197.A N ASP 194.A O no hydrogen 2.949 N/A VAL 198.A N ASP 194.A OD1 no hydrogen 3.125 N/A ILE 200.A N ALA 192.A O no hydrogen 2.956 N/A ILE 201.A N TYR 212.A O no hydrogen 2.943 N/A LEU 202.A N HIS 190.A O no hydrogen 2.806 N/A GLY 203.A N LEU 210.A O no hydrogen 2.801 N/A VAL 204.A N ASP 188.A O no hydrogen 2.778 N/A CYS 205.A N GLY 208.A O no hydrogen 3.136 N/A CYS 205.A SG SER 207.A OG no hydrogen 3.120 N/A CYS 205.A SG GLY 208.A O no hydrogen 3.739 N/A LEU 209.A N PHE 221.A O no hydrogen 2.987 N/A LEU 210.A N GLY 203.A O no hydrogen 2.717 N/A VAL 211.A N ASN 219.A O no hydrogen 3.007 N/A TYR 212.A N ILE 201.A O no hydrogen 2.813 N/A LYS 213.A N LEU 216.A O no hydrogen 2.961 N/A LEU 216.A N LYS 213.A O no hydrogen 3.166 N/A ILE 218.A N VAL 211.A O no hydrogen 2.780 N/A ASN 219.A N VAL 211.A O no hydrogen 3.277 N/A PHE 221.A N LEU 209.A O no hydrogen 2.905 N/A TRP 223.A N SER 207.A O no hydrogen 3.104 N/A TRP 223.A NE1 CYS 205.A O no hydrogen 2.910 N/A LYS 225.A N PRO 222.A O no hydrogen 2.838 N/A VAL 226.A N TRP 223.A O no hydrogen 3.052 N/A LEU 227.A N LYS 239.A O no hydrogen 2.745 N/A LYS 228.A N LYS 239.A O no hydrogen 3.371 N/A SER 230.A N PHE 237.A O no hydrogen 2.948 N/A LYS 232.A N SER 235.A O no hydrogen 2.926 N/A SER 235.A N LYS 232.A O no hydrogen 2.977 N/A PHE 236.A N PHE 247.A O no hydrogen 2.984 N/A PHE 237.A N SER 230.A O no hydrogen 2.838 N/A ILE 238.A N ILE 245.A O no hydrogen 2.893 N/A LYS 239.A N LYS 228.A O no hydrogen 2.731 N/A ILE 240.A N SER 243.A O no hydrogen 2.847 N/A ARG 241.A N LYS 225.A O no hydrogen 3.167 N/A ARG 241.A NE PRO 224.A O no hydrogen 3.406 N/A ARG 241.A NH2 PRO 224.A O no hydrogen 3.254 N/A SER 243.A N ILE 240.A O no hydrogen 3.197 N/A ILE 245.A N ILE 238.A O no hydrogen 2.818 N/A PHE 247.A N PHE 236.A O no hydrogen 2.783 N/A LYS 248.A N LYS 193.A O no hydrogen 2.833 N/A LEU 249.A N SER 234.A O no hydrogen 2.735 N/A ALA 254.A N SER 251.A OG no hydrogen 3.057 N/A ALA 255.A N SER 251.A O no hydrogen 3.151 N/A LYS 256.A N TYR 252.A O no hydrogen 2.954 N/A LYS 256.A NZ TYR 231.A OH no hydrogen 3.479 N/A LYS 257.A N ARG 253.A O no hydrogen 2.906 N/A LYS 257.A NZ LYS 54.A O no hydrogen 3.004 N/A LYS 257.A NZ THR 55.A OG1 no hydrogen 3.256 N/A LEU 258.A N ALA 254.A O no hydrogen 3.065 N/A TRP 259.A N ALA 255.A O no hydrogen 2.994 N/A LYS 260.A N LYS 256.A O no hydrogen 2.916 N/A VAL 261.A N LYS 257.A O no hydrogen 3.083 N/A CYS 262.A N LEU 258.A O no hydrogen 2.908 N/A CYS 262.A SG LEU 258.A O no hydrogen 3.297 N/A VAL 263.A N TRP 259.A O no hydrogen 2.908 N/A GLU 264.A N LYS 260.A O no hydrogen 2.940 N/A HIS 265.A N VAL 261.A O no hydrogen 2.919 N/A HIS 265.A ND1 VAL 261.A O no hydrogen 3.141 N/A HIS 266.A N CYS 262.A O no hydrogen 2.801 N/A THR 267.A N VAL 263.A O no hydrogen 2.983 N/A THR 267.A OG1 VAL 263.A O no hydrogen 2.983 N/A PHE 268.A N GLU 264.A O no hydrogen 2.845 N/A PHE 269.A N HIS 265.A O no hydrogen 3.013 N/A ARG 270.A N THR 267.A O no hydrogen 3.477 N/A