Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ai4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 5.A OE1 no hydrogen 2.937 N/A SER 2.A N GLU 5.A OE1 no hydrogen 3.375 N/A GLU 5.A N SER 2.A OG no hydrogen 3.102 N/A GLU 6.A N LYS 3.A O no hydrogen 3.004 N/A LEU 7.A N GLY 4.A O no hydrogen 2.963 N/A PHE 8.A N GLU 5.A O no hydrogen 3.073 N/A THR 9.A OG1 GLU 6.A O no hydrogen 3.495 N/A VAL 12.A N GLY 35.A O no hydrogen 2.898 N/A ILE 14.A N GLY 33.A O no hydrogen 2.853 N/A LEU 15.A N LEU 116.A O no hydrogen 2.995 N/A VAL 16.A N GLY 31.A O no hydrogen 2.893 N/A GLU 17.A N ASN 118.A O no hydrogen 2.951 N/A LEU 18.A N VAL 29.A O no hydrogen 2.869 N/A ASP 19.A N ILE 120.A O no hydrogen 3.033 N/A GLY 20.A N PHE 27.A O no hydrogen 2.852 N/A ASP 21.A N LEU 122.A O no hydrogen 3.038 N/A VAL 22.A N HIS 25.A O no hydrogen 2.929 N/A ASN 23.A N GLY 124.A O no hydrogen 2.860 N/A ASN 23.A ND2 PHE 127.A O no hydrogen 2.952 N/A HIS 25.A N VAL 22.A O no hydrogen 2.950 N/A PHE 27.A N GLY 20.A O no hydrogen 3.027 N/A SER 28.A N THR 50.A OG1 no hydrogen 3.005 N/A SER 28.A OG ASP 19.A OD1 no hydrogen 2.805 N/A VAL 29.A N LEU 18.A O no hydrogen 3.009 N/A SER 30.A N ILE 47.A O no hydrogen 3.079 N/A SER 30.A OG GLU 17.A OE1 no hydrogen 2.754 N/A SER 30.A OG GLU 17.A OE2 no hydrogen 3.559 N/A GLY 31.A N VAL 16.A O no hydrogen 2.789 N/A GLU 32.A N LYS 45.A O no hydrogen 2.994 N/A GLY 33.A N ILE 14.A O no hydrogen 3.050 N/A GLU 34.A N THR 43.A O no hydrogen 2.934 N/A GLY 35.A N VAL 12.A O no hydrogen 2.942 N/A ASP 36.A N LYS 41.A O no hydrogen 2.802 N/A THR 38.A OG1 THR 9.A O no hydrogen 3.373 N/A TYR 39.A N ASP 36.A O no hydrogen 3.011 N/A GLY 40.A N ALA 37.A O no hydrogen 3.206 N/A LYS 41.A N ASP 36.A O no hydrogen 3.092 N/A LEU 42.A N GLU 219.A O no hydrogen 2.911 N/A THR 43.A N GLU 34.A O no hydrogen 2.948 N/A THR 43.A OG1 GLU 34.A O no hydrogen 3.373 N/A LEU 44.A N LEU 217.A O no hydrogen 2.919 N/A LYS 45.A N GLU 32.A O no hydrogen 2.886 N/A LYS 45.A NZ ASP 207.A OD2 no hydrogen 3.253 N/A LYS 45.A NZ GLU 210.A OE1 no hydrogen 3.114 N/A PHE 46.A N MET 215.A O no hydrogen 2.778 N/A ILE 47.A N SER 30.A O no hydrogen 2.864 N/A CYS 48.A N ASP 213.A O no hydrogen 2.937 N/A CYS 48.A SG SER 28.A O no hydrogen 3.592 N/A CYS 48.A SG THR 50.A OG1 no hydrogen 3.415 N/A CYS 48.A SG GLY 51.A O no hydrogen 3.155 N/A THR 49.A N SER 28.A O no hydrogen 2.981 N/A THR 49.A OG1 SER 28.A O no hydrogen 3.424 N/A LEU 53.A N ASP 213.A OD2 no hydrogen 2.835 N/A TRP 57.A NE1 ASP 213.A OD1 no hydrogen 2.800 N/A THR 59.A N PRO 56.A O no hydrogen 3.001 N/A THR 59.A OG1 PRO 56.A O no hydrogen 2.782 N/A THR 59.A OG1 TYR 103.A OH no hydrogen 2.887 N/A LEU 60.A N TRP 57.A O no hydrogen 2.983 N/A VAL 61.A N PRO 58.A O no hydrogen 3.353 N/A THR 62.A OG1 HIS 178.A NE2 no hydrogen 2.767 N/A THR 63.A N LEU 60.A O no hydrogen 3.042 N/A PHE 64.A N LEU 60.A O no hydrogen 2.971 N/A CYS 67.A SG TYR 89.A OH no hydrogen 3.861 N/A PHE 68.A N VAL 65.A O no hydrogen 2.971 N/A ALA 69.A N GLN 66.A O no hydrogen 3.152 N/A ARG 70.A N VAL 221.A O no hydrogen 2.866 N/A TYR 71.A OH HIS 196.A NE2 no hydrogen 2.716 N/A HIS 74.A NE2 ILE 226.A O no hydrogen 2.660 N/A MET 75.A N PRO 72.A O no hydrogen 2.759 N/A LYS 76.A N ASP 73.A O no hydrogen 3.275 N/A LYS 76.A NZ TYR 71.A O no hydrogen 2.807 N/A GLN 77.A N GLN 77.A OE1 no hydrogen 2.683 N/A GLN 77.A NE2 HIS 74.A O no hydrogen 3.588 N/A HIS 78.A N MET 75.A O no hydrogen 2.821 N/A ASP 79.A N LYS 76.A O no hydrogen 3.484 N/A PHE 80.A N HIS 78.A O no hydrogen 3.264 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 3.169 N/A LYS 82.A NZ CYS 67.A O no hydrogen 2.909 N/A LYS 82.A NZ ALA 69.A O no hydrogen 2.796 N/A LYS 82.A NZ ASP 79.A OD2 no hydrogen 2.812 N/A SER 83.A OG PHE 80.A O no hydrogen 2.709 N/A ALA 84.A N PHE 80.A O no hydrogen 3.185 N/A MET 85.A N LYS 82.A O no hydrogen 3.013 N/A GLY 88.A N ALA 84.A O no hydrogen 2.792 N/A TYR 89.A N VAL 109.A O no hydrogen 2.905 N/A VAL 90.A N THR 183.A O no hydrogen 2.844 N/A GLN 91.A N ALA 107.A O no hydrogen 2.842 N/A GLU 92.A N GLN 181.A O no hydrogen 2.941 N/A ARG 93.A N THR 105.A O no hydrogen 3.015 N/A ARG 93.A NE GLN 180.A OE1 no hydrogen 2.882 N/A ARG 93.A NH1 THR 62.A O no hydrogen 2.814 N/A ARG 93.A NH2 GLN 180.A OE1 no hydrogen 2.881 N/A THR 94.A N TYR 179.A O no hydrogen 2.934 N/A THR 94.A OG1 PHE 231.A O no hydrogen 2.832 N/A ILE 95.A N TYR 103.A O no hydrogen 2.888 N/A PHE 96.A N ASP 177.A O no hydrogen 2.839 N/A PHE 97.A N GLY 101.A O no hydrogen 3.005 N/A LYS 98.A N LEU 175.A O no hydrogen 2.945 N/A ASP 100.A N PHE 97.A O no hydrogen 2.852 N/A GLY 101.A N ASP 100.A OD2 no hydrogen 2.849 N/A ASN 102.A N ILE 125.A O no hydrogen 3.085 N/A TYR 103.A N ILE 95.A O no hydrogen 2.926 N/A TYR 103.A OH THR 59.A OG1 no hydrogen 2.887 N/A LYS 104.A N LYS 123.A O no hydrogen 2.794 N/A LYS 104.A NZ PRO 233.A O no hydrogen 3.059 N/A THR 105.A N ARG 93.A O no hydrogen 2.930 N/A ARG 106.A N GLU 121.A O no hydrogen 3.028 N/A ARG 106.A NH1 GLU 108.A OE2 no hydrogen 3.494 N/A ARG 106.A NH2 GLU 108.A OE2 no hydrogen 3.199 N/A ALA 107.A N GLN 91.A O no hydrogen 2.776 N/A GLU 108.A N ARG 119.A O no hydrogen 2.910 N/A VAL 109.A N TYR 89.A O no hydrogen 2.919 N/A LYS 110.A N VAL 117.A O no hydrogen 3.053 N/A LYS 110.A NZ GLU 108.A OE1 no hydrogen 2.986 N/A PHE 111.A N PRO 86.A O no hydrogen 3.106 N/A GLU 112.A N THR 115.A O no hydrogen 2.850 N/A THR 115.A N GLU 112.A O no hydrogen 3.146 N/A LEU 116.A N PRO 13.A O no hydrogen 2.892 N/A VAL 117.A N LYS 110.A O no hydrogen 2.849 N/A ASN 118.A N LEU 15.A O no hydrogen 2.910 N/A ASN 118.A ND2 THR 63.A O no hydrogen 3.326 N/A ASN 118.A ND2 PHE 64.A O no hydrogen 2.941 N/A ARG 119.A N GLU 108.A O no hydrogen 2.947 N/A ARG 119.A NE GLU 112.A OE2 no hydrogen 3.019 N/A ARG 119.A NH2 GLU 112.A OE1 no hydrogen 2.844 N/A ILE 120.A N GLU 17.A O no hydrogen 2.810 N/A GLU 121.A N ARG 106.A O no hydrogen 2.898 N/A LEU 122.A N ASP 19.A O no hydrogen 2.895 N/A LYS 123.A N LYS 104.A O no hydrogen 2.892 N/A GLY 124.A N ASP 21.A O no hydrogen 2.734 N/A ILE 125.A N ASN 102.A O no hydrogen 3.009 N/A PHE 127.A N ASN 23.A OD1 no hydrogen 3.027 N/A LYS 128.A N ASP 100.A OD2 no hydrogen 2.828 N/A LYS 128.A NZ ASP 99.A O no hydrogen 2.952 N/A GLY 131.A N LYS 128.A O no hydrogen 2.958 N/A ASN 132.A ND2 GLN 174.A OE1 no hydrogen 3.072 N/A GLY 135.A N GLY 131.A O no hydrogen 2.904 N/A HIS 136.A N ILE 133.A O no hydrogen 3.025 N/A LYS 137.A N ASN 132.A O no hydrogen 2.988 N/A LYS 137.A NZ ASP 130.A O no hydrogen 2.815 N/A GLU 139.A N ASN 167.A O no hydrogen 2.942 N/A TYR 140.A OH SER 205.A O no hydrogen 2.685 N/A ASN 141.A N GLU 139.A O no hydrogen 2.979 N/A ASN 141.A ND2 GLU 139.A OE1 no hydrogen 2.948 N/A ASN 143.A ND2 ARG 165.A O no hydrogen 3.006 N/A ASN 143.A ND2 ASN 167.A OD1 no hydrogen 3.412 N/A HIS 145.A N THR 200.A O no hydrogen 2.954 N/A VAL 147.A N LEU 198.A O no hydrogen 2.821 N/A TYR 148.A N ASN 161.A O no hydrogen 2.968 N/A ILE 149.A N HIS 196.A O no hydrogen 2.845 N/A MET 150.A N LYS 159.A O no hydrogen 2.911 N/A ASP 152.A N GLY 157.A O no hydrogen 2.788 N/A LYS 155.A N ASP 152.A O no hydrogen 3.196 N/A LYS 155.A NZ ASP 234.A OD2 no hydrogen 3.330 N/A ASN 156.A N LYS 153.A O no hydrogen 2.961 N/A GLY 157.A N ASP 152.A O no hydrogen 3.033 N/A ILE 158.A N ASN 182.A O no hydrogen 3.064 N/A LYS 159.A N MET 150.A O no hydrogen 2.879 N/A LYS 159.A NZ ASP 152.A OD2 no hydrogen 3.441 N/A VAL 160.A N GLN 180.A O no hydrogen 2.824 N/A ASN 161.A N TYR 148.A O no hydrogen 2.950 N/A ASN 161.A ND2 HIS 178.A O no hydrogen 2.839 N/A PHE 162.A N HIS 178.A O no hydrogen 3.411 N/A LYS 163.A NZ ASP 177.A OD1 no hydrogen 2.696 N/A ILE 164.A N ALA 176.A O no hydrogen 2.860 N/A ARG 165.A N HIS 145.A NE2 no hydrogen 2.975 N/A ARG 165.A NH1 SER 144.A O no hydrogen 3.383 N/A ARG 165.A NH2 SER 144.A O no hydrogen 2.752 N/A HIS 166.A N GLN 174.A O no hydrogen 2.835 N/A ILE 168.A N SER 172.A O no hydrogen 2.798 N/A GLU 169.A N LYS 137.A O no hydrogen 2.955 N/A GLY 171.A N ILE 168.A O no hydrogen 2.897 N/A SER 172.A N ASP 170.A OD1 no hydrogen 2.859 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.663 N/A GLN 174.A N HIS 166.A O no hydrogen 2.756 N/A GLN 174.A NE2 LYS 98.A O no hydrogen 2.935 N/A GLN 174.A NE2 LEU 175.A O no hydrogen 3.085 N/A ALA 176.A N ILE 164.A O no hydrogen 2.900 N/A ASP 177.A N PHE 96.A O no hydrogen 2.903 N/A HIS 178.A N PHE 162.A O no hydrogen 2.869 N/A HIS 178.A ND1 ALA 176.A O no hydrogen 2.925 N/A HIS 178.A NE2 THR 62.A OG1 no hydrogen 2.767 N/A TYR 179.A N THR 94.A O no hydrogen 2.886 N/A GLN 180.A N VAL 160.A O no hydrogen 2.914 N/A GLN 180.A NE2 GLN 66.A OE1 no hydrogen 2.958 N/A GLN 180.A NE2 ASN 182.A OD1 no hydrogen 2.854 N/A GLN 181.A N GLU 92.A O no hydrogen 2.841 N/A GLN 181.A NE2 GLU 92.A OE1 no hydrogen 2.896 N/A GLN 181.A NE2 ASP 234.A OD1 no hydrogen 2.811 N/A ASN 182.A N ILE 158.A O no hydrogen 3.063 N/A ASN 182.A ND2 GLN 91.A OE1 no hydrogen 2.829 N/A THR 183.A N VAL 90.A O no hydrogen 3.020 N/A ILE 185.A N GLY 88.A O no hydrogen 2.828 N/A LEU 191.A N SER 83.A OG no hydrogen 2.903 N/A ASP 194.A N HIS 78.A ND1 no hydrogen 3.041 N/A HIS 196.A N ILE 149.A O no hydrogen 3.209 N/A HIS 196.A ND1 ASP 194.A O no hydrogen 2.878 N/A HIS 196.A NE2 TYR 71.A OH no hydrogen 2.716 N/A TYR 197.A N ALA 224.A O no hydrogen 2.933 N/A LEU 198.A N VAL 147.A O no hydrogen 2.832 N/A SER 199.A N THR 222.A O no hydrogen 2.823 N/A THR 200.A N HIS 145.A O no hydrogen 2.830 N/A THR 200.A OG1 LEU 198.A O no hydrogen 3.561 N/A GLN 201.A N PHE 220.A O no hydrogen 2.931 N/A ALA 203.A N LEU 218.A O no hydrogen 2.915 N/A SER 205.A N VAL 216.A O no hydrogen 2.855 N/A LYS 206.A NZ HIS 214.A O no hydrogen 2.827 N/A ASP 207.A N HIS 214.A NE2 no hydrogen 2.866 N/A ASN 209.A N ASP 207.A OD1 no hydrogen 3.191 N/A GLU 210.A N ASP 207.A O no hydrogen 2.910 N/A LYS 211.A NZ GLU 210.A OE2 no hydrogen 2.897 N/A ARG 212.A N GLU 210.A OE2 no hydrogen 2.822 N/A ARG 212.A NH1 GLU 210.A OE2 no hydrogen 3.169 N/A HIS 214.A ND1 ARG 212.A O no hydrogen 2.929 N/A MET 215.A N PHE 46.A O no hydrogen 2.952 N/A VAL 216.A N SER 205.A O no hydrogen 2.995 N/A LEU 217.A N LEU 44.A O no hydrogen 2.783 N/A LEU 218.A N ALA 203.A O no hydrogen 2.945 N/A GLU 219.A N LEU 42.A O no hydrogen 2.963 N/A PHE 220.A N GLN 201.A O no hydrogen 2.845 N/A VAL 221.A N GLY 40.A O no hydrogen 2.815 N/A THR 222.A N SER 199.A O no hydrogen 3.078 N/A ALA 223.A N ARG 70.A O no hydrogen 2.767 N/A ALA 224.A N TYR 197.A O no hydrogen 2.826 N/A LYS 228.A NZ ASP 126.A OD2 no hydrogen 2.985 N/A ILE 235.A N PRO 232.A O no hydrogen 3.304 N/A PHE 240.A N ASP 236.A O no hydrogen 3.056 N/A TYR 241.A N PRO 237.A O no hydrogen 3.045 N/A TYR 241.A OH LEU 229.A O no hydrogen 2.174 N/A GLU 242.A N VAL 239.A O no hydrogen 3.073 N/A LEU 243.A N PHE 240.A O no hydrogen 3.087 N/A VAL 247.A N PRO 244.A O no hydrogen 2.798 N/A GLN 248.A N PRO 244.A O no hydrogen 2.883 N/A GLN 248.A NE2 LEU 243.A O no hydrogen 2.873 N/A LYS 249.A N GLU 245.A O no hydrogen 2.940 N/A GLU 250.A N GLU 246.A O no hydrogen 3.009 N/A LEU 251.A N VAL 247.A O no hydrogen 2.894 N/A MET 252.A N LYS 249.A O no hydrogen 2.971 N/A ALA 253.A N GLU 250.A O no hydrogen 3.304 N/A TRP 255.A N MET 252.A O no hydrogen 3.154 N/A TRP 255.A NE1 GLN 180.A O no hydrogen 3.052 N/A GLU 256.A N ALA 253.A O no hydrogen 3.043 N/A