Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 GLU 54.A OE2 no hydrogen 3.219 N/A GLU 3.A N ASN 1.A OD1 no hydrogen 2.914 N/A ASP 5.A N ASN 1.A O no hydrogen 3.034 N/A LEU 6.A N VAL 65.A O no hydrogen 3.002 N/A SER 7.A N ASP 5.A OD1 no hydrogen 3.186 N/A VAL 8.A N ASP 5.A O no hydrogen 3.204 N/A SER 9.A N LEU 6.A O no hydrogen 3.373 N/A SER 9.A OG LYS 2.A O no hydrogen 2.712 N/A SER 9.A OG CYS 10.A O no hydrogen 3.377 N/A LYS 13.A N CYS 10.A O no hydrogen 3.107 N/A VAL 14.A N LEU 11.A O no hydrogen 3.243 N/A LYS 15.A N LEU 11.A O no hydrogen 2.947 N/A LEU 17.A N VAL 14.A O no hydrogen 3.098 N/A TYR 19.A OH GLU 3.A O no hydrogen 2.684 N/A ASP 20.A N ARG 63.A O no hydrogen 2.806 N/A ILE 22.A N LYS 109.A O no hydrogen 3.044 N/A LEU 24.A N LEU 111.A O no hydrogen 2.832 N/A TRP 26.A N LEU 113.A O no hydrogen 3.074 N/A TRP 26.A NE1 PHE 70.A O no hydrogen 2.779 N/A GLY 27.A N VAL 68.A O no hydrogen 2.790 N/A THR 29.A OG1 PRO 69.A O no hydrogen 2.790 N/A GLU 30.A N TYR 38.A O no hydrogen 3.086 N/A HIS 32.A ND1 GLU 30.A O no hydrogen 2.764 N/A HIS 32.A NE2 ASP 41.A OD1 no hydrogen 3.042 N/A ASN 33.A ND2 GLY 179.A O no hydrogen 2.995 N/A LEU 34.A N ASN 33.A OD1 no hydrogen 2.598 N/A HIS 35.A NE2 THR 164.A OG1 no hydrogen 2.907 N/A LEU 36.A N HIS 32.A O no hydrogen 3.339 N/A TYR 38.A OH PRO 81.A O no hydrogen 2.802 N/A THR 40.A N PRO 37.A O no hydrogen 2.943 N/A THR 40.A OG1 PRO 37.A O no hydrogen 2.685 N/A CYS 42.A N LEU 39.A O no hydrogen 2.829 N/A CYS 42.A SG VAL 68.A O no hydrogen 3.629 N/A ILE 43.A N LEU 39.A O no hydrogen 2.931 N/A LEU 44.A N THR 40.A O no hydrogen 3.014 N/A HIS 46.A N CYS 42.A O no hydrogen 3.183 N/A HIS 46.A ND1 ASP 47.A OD1 no hydrogen 3.005 N/A HIS 46.A NE2 ASP 5.A OD1 no hydrogen 2.818 N/A ASP 47.A N ILE 43.A O no hydrogen 2.999 N/A ILE 48.A N LEU 44.A O no hydrogen 3.011 N/A ALA 49.A N PRO 45.A O no hydrogen 2.909 N/A VAL 50.A N HIS 46.A O no hydrogen 3.021 N/A GLU 51.A N ASP 47.A O no hydrogen 3.053 N/A ALA 52.A N ILE 48.A O no hydrogen 2.950 N/A ALA 53.A N ALA 49.A O no hydrogen 2.806 N/A GLU 54.A N VAL 50.A O no hydrogen 2.819 N/A LEU 55.A N GLU 51.A O no hydrogen 2.961 N/A ALA 56.A N ALA 52.A O no hydrogen 2.854 N/A LEU 57.A N ALA 53.A O no hydrogen 2.974 N/A SER 58.A N GLU 54.A O no hydrogen 2.988 N/A SER 58.A OG GLU 54.A O no hydrogen 3.218 N/A SER 58.A OG LEU 55.A O no hydrogen 3.043 N/A ARG 59.A N LEU 55.A O no hydrogen 2.870 N/A ARG 59.A NE GLU 238.A OE1 no hydrogen 3.442 N/A ARG 59.A NE GLU 238.A OE2 no hydrogen 3.136 N/A ARG 59.A NH1 GLU 231.A OE2 no hydrogen 3.225 N/A ARG 59.A NH2 GLU 231.A OE2 no hydrogen 3.524 N/A ARG 59.A NH2 GLU 238.A OE1 no hydrogen 3.157 N/A SER 60.A N ALA 56.A O no hydrogen 2.972 N/A GLY 61.A N LEU 57.A O no hydrogen 2.934 N/A VAL 62.A N ALA 56.A O no hydrogen 3.412 N/A ARG 63.A N ASP 20.A OD2 no hydrogen 3.277 N/A ARG 63.A NE GLU 3.A OE2 no hydrogen 2.779 N/A ARG 63.A NH1 LYS 18.A O no hydrogen 2.894 N/A ARG 63.A NH2 GLU 3.A OE2 no hydrogen 3.203 N/A VAL 68.A N PRO 25.A O no hydrogen 2.903 N/A ALA 72.A N ASN 119.A OD1 no hydrogen 3.230 N/A HIS 73.A N HIS 85.A ND1 no hydrogen 2.987 N/A ASN 74.A N GLN 77.A OE1 no hydrogen 2.924 N/A ASN 74.A ND2 ARG 200.A O no hydrogen 3.021 N/A GLN 77.A N ASN 74.A O no hydrogen 3.121 N/A GLN 77.A NE2 GLU 30.A OE2 no hydrogen 2.767 N/A LEU 80.A N GLN 77.A O no hydrogen 3.094 N/A CYS 83.A N LEU 80.A O no hydrogen 3.136 N/A CYS 83.A SG THR 29.A O no hydrogen 3.793 N/A ILE 84.A N THR 29.A O no hydrogen 3.170 N/A THR 86.A N GLY 71.A O no hydrogen 2.869 N/A THR 86.A OG1 GLY 71.A O no hydrogen 2.836 N/A GLN 91.A N ARG 87.A O no hydrogen 3.039 N/A GLN 91.A NE2 PHE 70.A O no hydrogen 2.934 N/A GLN 91.A NE2 ASN 119.A OD1 no hydrogen 3.077 N/A GLN 92.A N TYR 88.A O no hydrogen 2.822 N/A GLN 92.A NE2 GLU 96.A OE2 no hydrogen 3.280 N/A ALA 93.A N ALA 89.A O no hydrogen 3.004 N/A ILE 94.A N THR 90.A O no hydrogen 3.043 N/A LEU 95.A N GLN 91.A O no hydrogen 3.050 N/A GLU 96.A N GLN 92.A O no hydrogen 2.869 N/A ASP 97.A N ALA 93.A O no hydrogen 3.128 N/A ILE 98.A N ILE 94.A O no hydrogen 2.985 N/A VAL 99.A N LEU 95.A O no hydrogen 2.856 N/A SER 100.A N GLU 96.A O no hydrogen 2.932 N/A SER 101.A N ASP 97.A O no hydrogen 3.127 N/A SER 101.A OG ASP 97.A O no hydrogen 3.314 N/A LEU 102.A N ILE 98.A O no hydrogen 2.960 N/A HIS 103.A N VAL 99.A O no hydrogen 2.858 N/A HIS 103.A NE2 ASP 133.A OD1 no hydrogen 3.008 N/A VAL 104.A N SER 100.A O no hydrogen 3.218 N/A GLN 105.A N SER 101.A O no hydrogen 3.056 N/A GLY 106.A N HIS 103.A O no hydrogen 3.027 N/A PHE 107.A N LEU 102.A O no hydrogen 3.008 N/A ARG 108.A NH1 HIS 103.A O no hydrogen 2.972 N/A ARG 108.A NH1 PHE 107.A O no hydrogen 2.832 N/A LEU 110.A N LEU 135.A O no hydrogen 2.793 N/A LEU 111.A N ILE 22.A O no hydrogen 2.947 N/A ILE 112.A N ALA 137.A O no hydrogen 2.825 N/A LEU 113.A N LEU 24.A O no hydrogen 2.770 N/A SER 114.A N ALA 139.A O no hydrogen 2.798 N/A SER 114.A OG TRP 26.A O no hydrogen 3.509 N/A SER 114.A OG HIS 116.A O no hydrogen 2.983 N/A SER 114.A OG ASN 140.A OD1 no hydrogen 3.316 N/A GLY 115.A N TRP 26.A O no hydrogen 2.937 N/A HIS 116.A N SER 114.A OG no hydrogen 3.200 N/A HIS 116.A NE2 ALA 72.A O no hydrogen 2.655 N/A ASN 119.A N HIS 116.A O no hydrogen 3.060 N/A ASN 119.A ND2 GLY 27.A O no hydrogen 3.220 N/A ARG 125.A N LYS 122.A O no hydrogen 2.886 N/A ASP 126.A N GLY 123.A O no hydrogen 3.085 N/A ALA 128.A N ILE 124.A O no hydrogen 2.945 N/A ALA 128.A N ARG 125.A O no hydrogen 3.202 N/A GLU 130.A N ASP 126.A O no hydrogen 3.370 N/A TYR 131.A N LEU 127.A O no hydrogen 2.723 N/A PHE 134.A N TYR 131.A O no hydrogen 3.172 N/A LEU 135.A N ARG 108.A O no hydrogen 2.819 N/A ALA 137.A N LEU 110.A O no hydrogen 2.863 N/A ALA 139.A N ILE 112.A O no hydrogen 3.054 N/A ASN 140.A ND2 GLU 143.A OE1 no hydrogen 2.999 N/A TRP 141.A N SER 114.A O no hydrogen 2.974 N/A GLU 143.A N ASN 140.A O no hydrogen 3.092 N/A VAL 144.A N TRP 141.A O no hydrogen 3.328 N/A LYS 148.A N SER 146.A OG no hydrogen 3.237 N/A TYR 150.A N PRO 147.A O no hydrogen 2.875 N/A GLU 152.A N GLU 161.A OE2 no hydrogen 2.980 N/A ALA 153.A N GLU 161.A OE1 no hydrogen 2.880 N/A ASP 157.A N VAL 211.A O no hydrogen 2.841 N/A HIS 158.A N VAL 211.A O no hydrogen 3.094 N/A HIS 158.A NE2 PRO 31.A O no hydrogen 2.766 N/A ALA 159.A N GLU 163.A OE1 no hydrogen 2.749 N/A SER 162.A N ASP 156.A OD2 no hydrogen 2.964 N/A SER 162.A OG ASP 156.A OD1 no hydrogen 3.103 N/A SER 162.A OG ASP 156.A OD2 no hydrogen 2.763 N/A THR 164.A N GLY 160.A O no hydrogen 3.107 N/A THR 164.A OG1 HIS 35.A NE2 no hydrogen 2.907 N/A THR 164.A OG1 GLY 160.A O no hydrogen 2.982 N/A SER 165.A N GLU 161.A O no hydrogen 2.986 N/A SER 165.A OG GLU 161.A O no hydrogen 2.784 N/A VAL 166.A N SER 162.A O no hydrogen 3.114 N/A TYR 168.A N VAL 166.A O no hydrogen 2.996 N/A TYR 168.A OH GLU 51.A OE1 no hydrogen 2.983 N/A HIS 169.A ND1 GLU 171.A OE2 no hydrogen 3.207 N/A HIS 169.A NE2 ASP 47.A OD2 no hydrogen 2.549 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.798 N/A LEU 172.A N HIS 169.A O no hydrogen 2.998 N/A VAL 173.A N PRO 170.A O no hydrogen 3.402 N/A ASN 174.A ND2 GLU 177.A OE2 no hydrogen 3.068 N/A GLU 177.A N ASN 174.A O no hydrogen 3.112 N/A ALA 178.A N LEU 175.A O no hydrogen 3.004 N/A GLY 179.A N ASN 33.A OD1 no hydrogen 2.822 N/A GLY 181.A N ASP 208.A OD2 no hydrogen 2.994 N/A LYS 184.A N ALA 205.A O no hydrogen 2.849 N/A PHE 186.A N ASN 192.A OD1 no hydrogen 3.023 N/A LEU 191.A N ILE 188.A O no hydrogen 3.060 N/A ASN 192.A ND2 PHE 186.A O no hydrogen 2.710 N/A GLU 193.A N ALA 189.A O no hydrogen 2.961 N/A LYS 194.A N LEU 191.A O no hydrogen 3.170 N/A VAL 195.A N SER 190.A O no hydrogen 2.860 N/A TRP 202.A N PRO 75.A O no hydrogen 2.864 N/A TRP 202.A NE1 SER 209.A O no hydrogen 2.803 N/A LYS 204.A N HIS 201.A O no hydrogen 3.184 N/A ALA 205.A N HIS 201.A O no hydrogen 2.785 N/A THR 206.A N TRP 202.A O no hydrogen 3.015 N/A THR 206.A OG1 TRP 202.A O no hydrogen 2.648 N/A SER 209.A OG ASN 33.A O no hydrogen 3.432 N/A SER 209.A OG ASP 208.A O no hydrogen 2.665 N/A GLY 210.A N ASP 208.A OD1 no hydrogen 2.777 N/A VAL 211.A N HIS 158.A O no hydrogen 2.820 N/A GLY 212.A N GLY 181.A O no hydrogen 2.862 N/A LYS 215.A N ASN 213.A OD1 no hydrogen 2.960 N/A LYS 215.A NZ ALA 178.A O no hydrogen 3.326 N/A ALA 217.A N PRO 214.A O no hydrogen 2.941 N/A THR 218.A N SER 165.A OG no hydrogen 3.213 N/A LYS 221.A N THR 218.A OG1 no hydrogen 3.006 N/A LYS 221.A NZ GLU 152.A OE2 no hydrogen 3.167 N/A LYS 221.A NZ GLU 161.A OE2 no hydrogen 2.650 N/A LYS 221.A NZ LYS 216.A O no hydrogen 2.824 N/A GLY 222.A N THR 218.A O no hydrogen 3.339 N/A GLU 223.A N ALA 219.A O no hydrogen 2.898 N/A ARG 224.A N GLU 220.A O no hydrogen 3.022 N/A TYR 225.A N LYS 221.A O no hydrogen 3.049 N/A TYR 225.A OH VAL 145.A O no hydrogen 2.590 N/A VAL 226.A N GLY 222.A O no hydrogen 2.987 N/A LYS 227.A N GLU 223.A O no hydrogen 3.306 N/A VAL 230.A N VAL 226.A O no hydrogen 2.817 N/A GLU 231.A N LYS 227.A O no hydrogen 3.139 N/A LYS 232.A N PRO 228.A O no hydrogen 2.967 N/A LEU 233.A N ILE 229.A O no hydrogen 2.854 N/A ALA 234.A N VAL 230.A O no hydrogen 2.866 N/A GLY 235.A N GLU 231.A O no hydrogen 3.053 N/A LEU 236.A N LYS 232.A O no hydrogen 2.986 N/A PHE 237.A N LEU 233.A O no hydrogen 2.890 N/A GLU 238.A N ALA 234.A O no hydrogen 2.996 N/A GLU 239.A N GLY 235.A O no hydrogen 2.999 N/A GLN 241.A N GLU 238.A O no hydrogen 2.924 N/A GLN 241.A N GLU 239.A O no hydrogen 3.176 N/A HIS 242.A N GLU 239.A O no hydrogen 2.796 N/A HIS 242.A ND1 GLU 246.A OE1 no hydrogen 3.039 N/A ASP 243.A N GLU 246.A OE2 no hydrogen 3.088 N/A