Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kul_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N THR 1.A OG1 no hydrogen 3.176 N/A ILE 4.A N VAL 76.A O no hydrogen 2.652 N/A SER 7.A OG GLU 5.A OE2 no hydrogen 2.229 N/A ARG 8.A N GLU 5.A O no hydrogen 3.008 N/A ARG 8.A NE ARG 29.A O no hydrogen 2.906 N/A ARG 8.A NH2 ARG 29.A O no hydrogen 2.933 N/A ILE 9.A N ALA 6.A O no hydrogen 3.083 N/A HIS 10.A N ARG 27.A O no hydrogen 2.820 N/A GLU 12.A N TYR 25.A O no hydrogen 2.850 N/A LYS 13.A N TYR 25.A O no hydrogen 3.177 N/A ILE 15.A N VAL 23.A O no hydrogen 2.758 N/A SER 17.A N GLY 21.A O no hydrogen 2.771 N/A GLY 21.A N SER 17.A O no hydrogen 3.243 N/A GLU 22.A N ALA 42.A O no hydrogen 2.985 N/A VAL 23.A N ILE 15.A O no hydrogen 2.796 N/A CYS 24.A N ILE 40.A O no hydrogen 2.850 N/A TYR 25.A N LYS 13.A O no hydrogen 2.989 N/A GLY 26.A N VAL 38.A O no hydrogen 3.134 N/A ARG 27.A N HIS 10.A O no hydrogen 2.879 N/A LEU 28.A N VAL 36.A O no hydrogen 2.770 N/A ARG 29.A N ARG 8.A O no hydrogen 2.831 N/A GLN 33.A N VAL 30.A O no hydrogen 2.991 N/A VAL 36.A N LEU 28.A O no hydrogen 2.892 N/A VAL 38.A N GLY 26.A O no hydrogen 2.933 N/A ALA 39.A N THR 87.A O no hydrogen 2.953 N/A ILE 40.A N CYS 24.A O no hydrogen 2.723 N/A LYS 41.A N ILE 85.A O no hydrogen 2.957 N/A LYS 41.A NZ GLU 58.A OE2 no hydrogen 2.319 N/A LYS 41.A NZ ASP 152.A OD1 no hydrogen 3.506 N/A ALA 42.A N GLU 22.A O no hydrogen 2.886 N/A LEU 43.A N ALA 83.A O no hydrogen 3.086 N/A LYS 44.A N SER 20.A O no hydrogen 3.136 N/A TYR 47.A OH ARG 81.A O no hydrogen 2.499 N/A THR 48.A N GLN 51.A OE1 no hydrogen 3.357 N/A GLN 51.A N THR 48.A OG1 no hydrogen 2.997 N/A GLN 51.A NE2 SER 20.A OG no hydrogen 3.215 N/A ARG 52.A N THR 48.A O no hydrogen 3.012 N/A ARG 52.A NH1 TYR 47.A OH no hydrogen 2.991 N/A ARG 52.A NH1 LEU 82.A O no hydrogen 2.871 N/A ARG 52.A NH2 THR 78.A O no hydrogen 2.843 N/A ARG 53.A N GLU 49.A O no hydrogen 2.911 N/A ASP 54.A N ARG 50.A O no hydrogen 2.933 N/A PHE 55.A N GLN 51.A O no hydrogen 2.764 N/A LEU 56.A N ARG 52.A O no hydrogen 2.798 N/A SER 57.A N ARG 53.A O no hydrogen 2.970 N/A SER 57.A OG ARG 53.A O no hydrogen 3.084 N/A SER 57.A OG ASP 54.A O no hydrogen 2.960 N/A GLU 58.A N ASP 54.A O no hydrogen 2.928 N/A ALA 59.A N PHE 55.A O no hydrogen 2.982 N/A SER 60.A N LEU 56.A O no hydrogen 2.967 N/A ILE 61.A N SER 57.A O no hydrogen 2.872 N/A MET 62.A N GLU 58.A O no hydrogen 3.118 N/A GLY 63.A N ALA 59.A O no hydrogen 3.066 N/A GLN 64.A N ILE 61.A O no hydrogen 2.890 N/A GLN 64.A NE2 SER 60.A O no hydrogen 2.773 N/A PHE 65.A N MET 62.A O no hydrogen 3.147 N/A ASP 66.A N TYR 124.A OH no hydrogen 2.872 N/A ASN 69.A N HIS 67.A ND1 no hydrogen 2.923 N/A ASN 69.A ND2 CYS 148.A O no hydrogen 2.909 N/A ILE 70.A N HIS 67.A O no hydrogen 3.207 N/A ILE 71.A N VAL 150.A O no hydrogen 3.112 N/A ARG 72.A N GLU 88.A OE2 no hydrogen 2.773 N/A ARG 72.A NE GLU 74.A OE2 no hydrogen 3.381 N/A GLU 74.A N VAL 86.A O no hydrogen 2.676 N/A GLY 75.A N VAL 86.A O no hydrogen 3.063 N/A VAL 76.A N ARG 2.A O no hydrogen 2.896 N/A VAL 77.A N MET 84.A O no hydrogen 2.944 N/A THR 78.A N GLU 3.A OE2 no hydrogen 2.716 N/A THR 78.A OG1 GLU 3.A OE1 no hydrogen 2.619 N/A ARG 79.A N GLU 3.A OE2 no hydrogen 3.281 N/A ARG 81.A NH1 GLU 49.A OE1 no hydrogen 3.073 N/A ARG 81.A NH2 GLU 49.A OE1 no hydrogen 3.440 N/A ARG 81.A NH2 GLU 49.A OE2 no hydrogen 2.939 N/A LEU 82.A N ARG 79.A O no hydrogen 3.270 N/A MET 84.A N VAL 77.A O no hydrogen 2.895 N/A ILE 85.A N LYS 41.A O no hydrogen 2.767 N/A VAL 86.A N GLY 75.A O no hydrogen 2.833 N/A THR 87.A N ALA 39.A O no hydrogen 2.840 N/A GLU 88.A N ARG 72.A O no hydrogen 3.045 N/A ASN 92.A N VAL 142.A O no hydrogen 3.002 N/A ASN 92.A ND2 ASP 143.A O no hydrogen 2.857 N/A GLY 93.A N MET 90.A O no hydrogen 2.896 N/A SER 94.A OG ARG 138.A O no hydrogen 2.451 N/A LEU 95.A N VAL 140.A O no hydrogen 2.761 N/A THR 97.A OG1 SER 94.A O no hydrogen 3.356 N/A PHE 98.A N SER 94.A O no hydrogen 2.970 N/A LEU 99.A N LEU 95.A O no hydrogen 3.177 N/A ARG 100.A N ASP 96.A O no hydrogen 3.038 N/A ARG 100.A NE GLY 202.A O no hydrogen 2.737 N/A ARG 100.A NH2 ASP 96.A OD2 no hydrogen 3.169 N/A ARG 100.A NH2 GLY 202.A O no hydrogen 2.819 N/A THR 101.A N THR 97.A O no hydrogen 2.882 N/A THR 101.A OG1 THR 97.A O no hydrogen 2.926 N/A THR 101.A OG1 PHE 98.A O no hydrogen 3.207 N/A THR 101.A OG1 HIS 102.A ND1 no hydrogen 3.259 N/A HIS 102.A N LEU 99.A O no hydrogen 3.046 N/A HIS 102.A ND1 PHE 98.A O no hydrogen 2.717 N/A GLN 105.A N HIS 102.A O no hydrogen 3.073 N/A PHE 106.A N TYR 201.A OH no hydrogen 2.975 N/A THR 107.A N GLN 110.A OE1 no hydrogen 3.016 N/A THR 107.A OG1 GLN 110.A OE1 no hydrogen 3.474 N/A GLN 110.A N THR 107.A OG1 no hydrogen 3.077 N/A LEU 111.A N THR 107.A O no hydrogen 3.031 N/A VAL 112.A N ILE 108.A O no hydrogen 2.793 N/A GLY 113.A N MET 109.A O no hydrogen 2.903 N/A MET 114.A N GLN 110.A O no hydrogen 3.005 N/A LEU 115.A N LEU 111.A O no hydrogen 3.076 N/A ARG 116.A N VAL 112.A O no hydrogen 2.776 N/A ARG 116.A NE ASP 260.A OD1 no hydrogen 2.487 N/A ARG 116.A NH2 ASP 260.A OD1 no hydrogen 3.348 N/A ARG 116.A NH2 ASP 260.A OD2 no hydrogen 3.028 N/A GLY 117.A N GLY 113.A O no hydrogen 3.103 N/A VAL 118.A N MET 114.A O no hydrogen 3.102 N/A GLY 119.A N LEU 115.A O no hydrogen 2.850 N/A ALA 120.A N ARG 116.A O no hydrogen 2.798 N/A GLY 121.A N GLY 117.A O no hydrogen 3.025 N/A MET 122.A N VAL 118.A O no hydrogen 2.979 N/A ARG 123.A N GLY 119.A O no hydrogen 2.846 N/A TYR 124.A N ALA 120.A O no hydrogen 2.975 N/A LEU 125.A N GLY 121.A O no hydrogen 2.987 N/A SER 126.A N MET 122.A O no hydrogen 2.779 N/A SER 126.A OG MET 122.A O no hydrogen 2.826 N/A SER 126.A OG ARG 123.A O no hydrogen 3.157 N/A ASP 127.A N ARG 123.A O no hydrogen 2.917 N/A LEU 128.A N TYR 124.A O no hydrogen 3.307 N/A LEU 128.A N LEU 125.A O no hydrogen 3.236 N/A GLY 129.A N SER 126.A O no hydrogen 2.859 N/A TYR 130.A N LEU 125.A O no hydrogen 3.202 N/A VAL 131.A N ARG 157.A O no hydrogen 2.881 N/A HIS 132.A N ASP 187.A OD2 no hydrogen 2.698 N/A HIS 132.A NE2 SER 151.A O no hydrogen 2.936 N/A ARG 133.A N ASP 187.A OD1 no hydrogen 2.918 N/A ARG 133.A NE LEU 155.A O no hydrogen 3.000 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 3.087 N/A ALA 137.A N GLU 197.A OE1 no hydrogen 2.878 N/A ARG 138.A NH2 ASP 134.A OD1 no hydrogen 3.543 N/A ASN 139.A N ALA 136.A O no hydrogen 2.899 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.742 N/A VAL 140.A N ALA 137.A O no hydrogen 3.073 N/A LEU 141.A N LYS 149.A O no hydrogen 2.846 N/A VAL 142.A N GLY 93.A O no hydrogen 2.814 N/A ASP 143.A N VAL 147.A O no hydrogen 2.910 N/A ASN 145.A N ASP 143.A OD1 no hydrogen 2.873 N/A LEU 146.A N ASP 143.A O no hydrogen 3.005 N/A VAL 147.A N ASP 143.A OD1 no hydrogen 3.018 N/A CYS 148.A SG LEU 146.A O no hydrogen 3.716 N/A LYS 149.A N LEU 141.A O no hydrogen 2.799 N/A LYS 149.A NZ GLU 88.A OE1 no hydrogen 3.243 N/A LYS 149.A NZ GLU 88.A OE2 no hydrogen 3.145 N/A VAL 150.A N ASN 69.A O no hydrogen 2.767 N/A SER 151.A N ASN 139.A O no hydrogen 3.133 N/A SER 151.A OG ASN 139.A O no hydrogen 2.920 N/A SER 156.A N PHE 153.A O no hydrogen 3.312 N/A ARG 157.A N VAL 131.A O no hydrogen 3.015 N/A ARG 157.A NH1 GLY 154.A O no hydrogen 3.255 N/A ARG 157.A NH1 SER 156.A O no hydrogen 2.782 N/A LEU 159.A N GLY 129.A O no hydrogen 2.893 N/A ARG 170.A NE ASN 211.A OD1 no hydrogen 3.315 N/A ARG 170.A NH1 PRO 205.A O no hydrogen 2.974 N/A ARG 170.A NH1 TYR 206.A O no hydrogen 2.870 N/A ARG 170.A NH1 MET 209.A O no hydrogen 3.208 N/A ARG 170.A NH2 MET 209.A O no hydrogen 2.807 N/A ARG 170.A NH2 ASN 211.A OD1 no hydrogen 3.317 N/A TRP 171.A N PRO 168.A O no hydrogen 3.145 N/A TRP 171.A NE1 GLU 197.A OE1 no hydrogen 2.862 N/A THR 172.A N ILE 169.A O no hydrogen 3.465 N/A THR 172.A OG1 PRO 168.A O no hydrogen 2.791 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.842 N/A ALA 176.A N ALA 173.A O no hydrogen 3.040 N/A ILE 177.A N ALA 173.A O no hydrogen 2.978 N/A ALA 178.A N PRO 174.A O no hydrogen 2.834 N/A PHE 179.A N GLU 175.A O no hydrogen 2.836 N/A ARG 180.A NH1 THR 165.A O no hydrogen 2.835 N/A THR 181.A OG1 GLU 175.A O no hydrogen 3.269 N/A PHE 182.A N TYR 163.A O no hydrogen 2.788 N/A SER 183.A N SER 186.A OG no hydrogen 2.813 N/A SER 186.A N SER 183.A OG no hydrogen 3.145 N/A SER 186.A OG SER 183.A O no hydrogen 2.843 N/A ASP 187.A N SER 183.A O no hydrogen 3.133 N/A VAL 188.A N SER 184.A O no hydrogen 2.970 N/A TRP 189.A N ALA 185.A O no hydrogen 3.201 N/A SER 190.A N SER 186.A O no hydrogen 3.111 N/A SER 190.A OG TRP 171.A O no hydrogen 2.763 N/A SER 190.A OG SER 186.A O no hydrogen 3.206 N/A PHE 191.A N ASP 187.A O no hydrogen 2.777 N/A GLY 192.A N VAL 188.A O no hydrogen 3.062 N/A VAL 193.A N TRP 189.A O no hydrogen 3.378 N/A VAL 194.A N SER 190.A O no hydrogen 2.943 N/A MET 195.A N PHE 191.A O no hydrogen 2.832 N/A TRP 196.A N GLY 192.A O no hydrogen 2.959 N/A TRP 196.A NE1 PRO 225.A O no hydrogen 2.953 N/A GLU 197.A N VAL 193.A O no hydrogen 2.777 N/A VAL 198.A N VAL 194.A O no hydrogen 2.892 N/A LEU 199.A N MET 195.A O no hydrogen 3.039 N/A ALA 200.A N TRP 196.A O no hydrogen 2.875 N/A TYR 201.A N VAL 198.A O no hydrogen 2.961 N/A GLY 202.A N GLU 197.A O no hydrogen 2.805 N/A MET 209.A N TYR 206.A O no hydrogen 2.769 N/A VAL 214.A N THR 210.A O no hydrogen 2.969 N/A ILE 215.A N ASN 211.A O no hydrogen 3.150 N/A SER 216.A N ARG 212.A O no hydrogen 3.204 N/A SER 216.A OG ARG 212.A O no hydrogen 3.388 N/A SER 216.A OG ASP 213.A O no hydrogen 3.552 N/A SER 217.A N ASP 213.A O no hydrogen 2.929 N/A SER 217.A OG ASP 213.A O no hydrogen 2.664 N/A VAL 218.A N VAL 214.A O no hydrogen 2.996 N/A GLU 219.A N ILE 215.A O no hydrogen 3.225 N/A GLU 220.A N SER 216.A O no hydrogen 2.970 N/A GLY 221.A N VAL 218.A O no hydrogen 2.876 N/A TYR 222.A N SER 217.A O no hydrogen 2.775 N/A ARG 223.A NE TRP 242.A O no hydrogen 2.891 N/A ARG 223.A NH1 VAL 218.A O no hydrogen 3.058 N/A ARG 223.A NH1 TYR 222.A O no hydrogen 2.960 N/A ARG 223.A NH2 TRP 242.A O no hydrogen 2.750 N/A CYS 230.A N PRO 227.A O no hydrogen 3.073 N/A CYS 230.A SG PRO 231.A O no hydrogen 3.603 N/A ALA 233.A N GLU 267.A OE2 no hydrogen 3.001 N/A HIS 235.A N PRO 231.A O no hydrogen 3.156 N/A GLN 236.A N HIS 232.A O.A no hydrogen 2.948 N/A GLN 236.A N HIS 232.A O.B no hydrogen 2.898 N/A GLN 236.A NE2 ASP 240.A OD1 no hydrogen 2.839 N/A LEU 237.A N ALA 233.A O no hydrogen 2.985 N/A MET 238.A N LEU 234.A O no hydrogen 3.094 N/A LEU 239.A N HIS 235.A O no hydrogen 2.932 N/A ASP 240.A N GLN 236.A O no hydrogen 2.856 N/A CYS 241.A N LEU 237.A O no hydrogen 3.007 N/A CYS 241.A SG LEU 237.A O no hydrogen 3.412 N/A TRP 242.A N MET 238.A O no hydrogen 3.068 N/A TRP 242.A N LEU 239.A O no hydrogen 3.074 N/A HIS 243.A N ASP 240.A O no hydrogen 3.265 N/A ASP 245.A N HIS 243.A ND1 no hydrogen 3.009 N/A ALA 247.A N ASP 245.A OD1 no hydrogen 2.934 N/A GLN 248.A N ASP 245.A O no hydrogen 2.770 N/A GLN 248.A NE2 ASP 245.A OD2 no hydrogen 3.367 N/A ARG 249.A N ARG 246.A O no hydrogen 3.215 N/A ARG 249.A NE HIS 243.A O no hydrogen 2.729 N/A ARG 249.A NH1 GLU 175.A OE2 no hydrogen 2.935 N/A ARG 249.A NH1 ALA 185.A O no hydrogen 2.989 N/A ARG 249.A NH2 GLU 175.A OE1 no hydrogen 2.981 N/A ARG 249.A NH2 HIS 243.A O no hydrogen 2.913 N/A ARG 251.A N GLN 254.A OE1 no hydrogen 3.363 N/A GLN 254.A N ARG 251.A O no hydrogen 2.943 N/A ILE 255.A N ARG 251.A O no hydrogen 3.003 N/A VAL 256.A N PHE 252.A O no hydrogen 2.862 N/A SER 257.A N SER 253.A O no hydrogen 3.146 N/A SER 257.A OG GLN 254.A O no hydrogen 3.211 N/A VAL 258.A N GLN 254.A O no hydrogen 2.867 N/A LEU 259.A N ILE 255.A O no hydrogen 2.971 N/A ASP 260.A N VAL 256.A O no hydrogen 2.836 N/A ALA 261.A N SER 257.A O no hydrogen 2.975 N/A LEU 262.A N VAL 258.A O no hydrogen 3.169 N/A ILE 263.A N LEU 259.A O no hydrogen 2.988 N/A ARG 264.A N ASP 260.A O no hydrogen 2.971 N/A SER 265.A N ALA 261.A O no hydrogen 2.975 N/A