Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i06_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N TYR 169.A O no hydrogen 2.982 N/A TRP 7.A N VAL 167.A O no hydrogen 2.939 N/A TRP 7.A NE1 LEU 129.A O no hydrogen 2.844 N/A ARG 8.A N ASP 6.A OD2 no hydrogen 3.014 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 3.329 N/A ARG 8.A NE ASP 6.A OD2 no hydrogen 2.991 N/A ARG 8.A NH2 ASP 6.A OD1 no hydrogen 2.846 N/A ALA 9.A N ASP 6.A O no hydrogen 2.913 N/A ARG 10.A N TRP 7.A O no hydrogen 3.097 N/A GLY 11.A N ARG 8.A O no hydrogen 2.983 N/A ALA 12.A N TRP 7.A O no hydrogen 3.365 N/A THR 14.A OG1 ALA 15.A O no hydrogen 3.461 N/A THR 14.A OG1 GLU 35.A OE1 no hydrogen 2.728 N/A LYS 17.A NZ.A ALA 15.A O no hydrogen 2.915 N/A LYS 17.A NZ.A ASN 47.A OD1.A no hydrogen 2.826 N/A LYS 17.A NZ.B GLU 35.A OE2 no hydrogen 2.711 N/A LYS 17.A NZ.B ASN 47.A OD1.B no hydrogen 1.970 N/A LYS 17.A NZ.B GLU 50.A OE1 no hydrogen 3.474 N/A LYS 17.A NZ.B GLU 50.A OE2 no hydrogen 2.918 N/A LYS 17.A NZ.B GLU 86.A OE1.C no hydrogen 2.834 N/A GLN 19.A N SER 183.A O no hydrogen 2.960 N/A GLN 19.A NE2 CYS 22.A O no hydrogen 2.895 N/A GLY 20.A N ASP 18.A OD2 no hydrogen 3.196 N/A GLN 21.A N GLY 94.A O no hydrogen 2.835 N/A GLY 23.A N CYS 63.A O no hydrogen 2.875 N/A SER 24.A OG CYS 22.A O no hydrogen 3.475 N/A SER 24.A OG TYR 91.A OH no hydrogen 2.771 N/A CYS 25.A SG HIS 162.A ND1.A no hydrogen 3.559 N/A CYS 25.A SG HIS 162.A ND1.B no hydrogen 4.002 N/A TRP 26.A NE1 GLY 62.A O no hydrogen 3.132 N/A ALA 27.A N SER 24.A O no hydrogen 2.851 N/A PHE 28.A N SER 24.A O no hydrogen 3.136 N/A SER 29.A N CYS 25.A O no hydrogen 2.835 N/A SER 29.A OG VAL 164.A O no hydrogen 2.765 N/A ALA 30.A N TRP 26.A O no hydrogen 3.073 N/A ILE 31.A N ALA 27.A O no hydrogen 2.913 N/A GLY 32.A N PHE 28.A O no hydrogen 2.842 N/A ASN 33.A N SER 29.A O no hydrogen 3.053 N/A ASN 33.A ND2 PRO 134.A O no hydrogen 2.860 N/A ASN 33.A ND2 SER 211.A OG no hydrogen 2.943 N/A VAL 34.A N ALA 30.A O no hydrogen 3.020 N/A GLU 35.A N ILE 31.A O no hydrogen 2.823 N/A CYS 36.A N GLY 32.A O no hydrogen 3.152 N/A CYS 36.A SG ALA 12.A O no hydrogen 3.170 N/A CYS 36.A SG GLY 32.A O no hydrogen 3.276 N/A GLN 37.A N ASN 33.A O no hydrogen 2.998 N/A TRP 38.A N VAL 34.A O no hydrogen 2.802 N/A PHE 39.A N GLU 35.A O no hydrogen 3.108 N/A LEU 40.A N CYS 36.A O no hydrogen 2.961 N/A ALA 41.A N GLN 37.A O no hydrogen 2.921 N/A GLY 42.A N PHE 39.A O no hydrogen 3.025 N/A HIS 43.A N PHE 39.A O no hydrogen 3.410 N/A THR 46.A OG1 PRO 44.A O no hydrogen 2.924 N/A ASN 47.A ND2.B GLU 86.A OE1.C no hydrogen 2.659 N/A LEU 48.A N GLU 35.A OE2 no hydrogen 2.827 N/A SER 49.A N TYR 84.A O no hydrogen 2.856 N/A SER 49.A OG TYR 89.A O no hydrogen 2.710 N/A GLN 51.A NE2 GLN 51.A O no hydrogen 3.605 N/A GLN 51.A NE2 SER 55.A OG no hydrogen 2.844 N/A GLN 51.A NE2 SER 93.A OG no hydrogen 2.981 N/A MET 52.A N SER 49.A OG no hydrogen 2.958 N/A VAL 54.A N GLU 50.A O no hydrogen 2.990 N/A SER 55.A N GLN 51.A O no hydrogen 2.841 N/A SER 55.A OG GLN 51.A O no hydrogen 3.481 N/A SER 55.A OG SER 98.A OG no hydrogen 3.192 N/A SER 55.A OG PRO 99.A O no hydrogen 2.719 N/A CYS 56.A N MET 52.A O no hydrogen 2.965 N/A CYS 56.A SG TYR 89.A OH no hydrogen 3.426 N/A ASP 57.A N LEU 53.A O no hydrogen 3.043 N/A LYS 58.A NZ SER 55.A O no hydrogen 2.848 N/A THR 59.A N ASP 57.A OD1 no hydrogen 3.021 N/A THR 59.A OG1.A ASP 57.A OD1 no hydrogen 2.690 N/A ASP 60.A N ASP 57.A OD1 no hydrogen 3.160 N/A SER 61.A N GLY 65.A O no hydrogen 2.864 N/A CYS 63.A SG GLY 96.A O no hydrogen 4.009 N/A SER 64.A N SER 61.A O no hydrogen 2.859 N/A GLY 65.A N GLY 62.A O no hydrogen 3.317 N/A LEU 67.A N ASP 60.A OD1 no hydrogen 2.824 N/A ALA 71.A N LEU 67.A O no hydrogen 3.026 N/A PHE 72.A N MET 68.A O no hydrogen 2.896 N/A GLU 73.A N ASN 69.A O no hydrogen 3.235 N/A TRP 74.A N ASN 70.A O no hydrogen 2.885 N/A ILE 75.A N ALA 71.A O no hydrogen 3.013 N/A VAL 76.A N PHE 72.A O no hydrogen 3.317 N/A GLN 77.A N GLU 73.A O no hydrogen 2.824 N/A GLN 77.A NE2.B GLU 73.A OE1 no hydrogen 2.932 N/A GLU 78.A N TRP 74.A O no hydrogen 2.831 N/A ASN 79.A N TRP 74.A O no hydrogen 3.226 N/A ASN 79.A N ILE 75.A O no hydrogen 3.139 N/A GLY 81.A N ILE 75.A O no hydrogen 2.865 N/A ALA 82.A N ASN 79.A O no hydrogen 2.970 N/A VAL 83.A N ALA 110.A O no hydrogen 2.948 N/A THR 85.A N THR 107.A O no hydrogen 2.869 N/A THR 85.A OG1 SER 88.A OG no hydrogen 2.839 N/A GLU 86.A N ASN 47.A O no hydrogen 2.904 N/A GLU 86.A OE1.B GLU 86.A OE2.B no hydrogen 2.259 N/A GLU 86.A OE1.C LEU 48.A O no hydrogen 3.018 N/A GLU 86.A OE1.C GLU 50.A OE1 no hydrogen 2.797 N/A GLU 86.A OE1.C GLU 86.A OE2.C no hydrogen 2.257 N/A GLU 86.A OE2.B LEU 48.A O no hydrogen 3.404 N/A GLU 86.A OE2.B GLU 86.A OE1.B no hydrogen 2.259 N/A GLU 86.A OE2.C GLU 86.A OE1.C no hydrogen 2.257 N/A SER 88.A N THR 85.A OG1 no hydrogen 3.084 N/A SER 88.A OG THR 85.A O no hydrogen 3.322 N/A SER 88.A OG THR 85.A OG1 no hydrogen 2.839 N/A SER 88.A OG THR 107.A O no hydrogen 3.420 N/A TYR 89.A N THR 85.A O no hydrogen 3.088 N/A TYR 89.A N GLU 86.A O no hydrogen 3.191 N/A TYR 91.A N GLU 86.A OE1.B no hydrogen 3.004 N/A TYR 91.A OH GLN 19.A O no hydrogen 2.667 N/A TYR 91.A OH SER 24.A OG no hydrogen 2.771 N/A ALA 92.A N GLN 51.A OE1 no hydrogen 2.792 N/A SER 93.A OG GLN 51.A OE1 no hydrogen 2.860 N/A GLY 96.A N SER 93.A O no hydrogen 2.857 N/A SER 98.A OG SER 55.A OG no hydrogen 3.192 N/A SER 98.A OG PRO 99.A O no hydrogen 3.501 N/A THR 102.A N TYR 89.A OH no hydrogen 3.172 N/A THR 102.A OG1 HIS 106.A NE2 no hydrogen 2.920 N/A HIS 106.A ND1 SER 88.A O no hydrogen 2.806 N/A HIS 106.A NE2 THR 102.A O no hydrogen 2.985 N/A HIS 106.A NE2 THR 102.A OG1 no hydrogen 2.920 N/A THR 107.A N SER 88.A OG no hydrogen 2.831 N/A GLY 109.A N VAL 83.A O no hydrogen 2.808 N/A ALA 110.A N VAL 83.A O no hydrogen 3.192 N/A ILE 112.A N GLY 81.A O no hydrogen 2.903 N/A THR 113.A N VAL 213.A O no hydrogen 2.873 N/A HIS 115.A NE2 GLU 117.A OE1 no hydrogen 2.683 N/A VAL 116.A N SER 211.A O no hydrogen 2.749 N/A LEU 118.A N ALA 209.A O no hydrogen 2.914 N/A GLN 120.A NE2 GLU 207.A O no hydrogen 2.933 N/A ASP 121.A N PRO 119.A O no hydrogen 2.853 N/A GLN 124.A N ASP 121.A OD1.A no hydrogen 3.358 N/A GLN 124.A N ASP 121.A OD1.B no hydrogen 2.940 N/A ILE 125.A N ASP 121.A O no hydrogen 2.929 N/A ALA 126.A N GLU 122.A O no hydrogen 2.901 N/A ALA 127.A N ALA 123.A O no hydrogen 2.939 N/A TRP 128.A N GLN 124.A O no hydrogen 2.963 N/A LEU 129.A N ILE 125.A O no hydrogen 2.871 N/A ALA 130.A N ALA 126.A O no hydrogen 2.836 N/A VAL 131.A N TRP 128.A O no hydrogen 3.203 N/A ASN 132.A N TRP 128.A O no hydrogen 2.810 N/A ASN 132.A ND2 TRP 128.A O no hydrogen 3.186 N/A GLY 133.A N LEU 129.A O no hydrogen 3.018 N/A VAL 135.A N LEU 166.A O no hydrogen 3.015 N/A ALA 136.A N SER 210.A O no hydrogen 2.807 N/A VAL 137.A N VAL 164.A O no hydrogen 2.996 N/A ALA 138.A N GLU 208.A O no hydrogen 3.234 N/A VAL 139.A N HIS 162.A O no hydrogen 2.950 N/A ASP 140.A N CYS 203.A O no hydrogen 2.819 N/A ALA 141.A N ASP 161.A OD2 no hydrogen 2.906 N/A SER 142.A N ASP 140.A OD2 no hydrogen 2.917 N/A SER 142.A OG.A ASP 140.A OD2 no hydrogen 2.752 N/A SER 142.A OG.B ASP 140.A OD2 no hydrogen 2.698 N/A SER 142.A OG.B ASP 161.A OD1 no hydrogen 3.516 N/A TRP 144.A N ALA 141.A O no hydrogen 2.966 N/A TYR 147.A N TRP 144.A O no hydrogen 3.326 N/A TYR 147.A OH GLY 150.A O no hydrogen 2.665 N/A GLY 150.A N GLU 190.A OE2 no hydrogen 2.869 N/A MET 152.A N ARG 195.A O no hydrogen 2.951 N/A SER 154.A OG.A THR 153.A O no hydrogen 3.207 N/A CYS 155.A N GLN 202.A OE1 no hydrogen 3.123 N/A CYS 155.A SG ASP 140.A O no hydrogen 3.447 N/A CYS 155.A SG VAL 156.A O no hydrogen 3.313 N/A VAL 156.A N SER 143.A OG no hydrogen 2.823 N/A SER 157.A OG CYS 155.A O no hydrogen 2.826 N/A GLU 158.A N ASP 140.A OD1 no hydrogen 2.852 N/A GLN 159.A N ASP 140.A OD1 no hydrogen 2.921 N/A ASP 161.A N VAL 139.A O no hydrogen 2.878 N/A HIS 162.A N VAL 139.A O no hydrogen 3.120 N/A HIS 162.A NE2.A ASN 182.A OD1 no hydrogen 2.872 N/A VAL 164.A N VAL 137.A O no hydrogen 2.925 N/A LEU 165.A N LYS 181.A O no hydrogen 3.206 N/A LEU 166.A N VAL 135.A O no hydrogen 2.794 N/A VAL 167.A N ILE 179.A O no hydrogen 2.878 N/A TYR 169.A N VAL 5.A O no hydrogen 2.894 N/A TYR 169.A OH PRO 2.A O no hydrogen 2.738 N/A ASN 170.A N TYR 177.A O no hydrogen 2.891 N/A ASN 170.A ND2 TYR 177.A OH no hydrogen 3.052 N/A ASP 171.A N ALA 3.A O no hydrogen 2.786 N/A SER 172.A N ASN 170.A OD1 no hydrogen 2.878 N/A SER 172.A OG.B ASN 170.A OD1 no hydrogen 2.867 N/A TYR 177.A N ASN 170.A O no hydrogen 3.055 N/A TRP 178.A N ILE 196.A O no hydrogen 2.881 N/A TRP 178.A NE1 GLU 122.A OE1 no hydrogen 2.858 N/A ILE 179.A N GLY 168.A O no hydrogen 2.923 N/A ILE 180.A N ILE 194.A O no hydrogen 2.881 N/A LYS 181.A N LEU 165.A O no hydrogen 2.829 N/A LYS 181.A NZ THR 14.A O no hydrogen 2.972 N/A LYS 181.A NZ THR 14.A OG1 no hydrogen 2.918 N/A LYS 181.A NZ ALA 15.A O no hydrogen 3.331 N/A ASN 182.A N GLY 192.A O no hydrogen 3.226 N/A SER 183.A N ASN 182.A OD1 no hydrogen 2.866 N/A SER 183.A OG GLN 19.A OE1 no hydrogen 2.696 N/A THR 185.A N LYS 17.A O no hydrogen 2.965 N/A THR 185.A OG1 TRP 184.A O no hydrogen 2.647 N/A GLN 187.A N THR 185.A OG1 no hydrogen 2.889 N/A TRP 188.A NE1 TRP 144.A O no hydrogen 3.148 N/A GLU 190.A N TYR 193.A O no hydrogen 2.815 N/A GLY 192.A N TRP 188.A O no hydrogen 2.808 N/A TYR 193.A N GLU 190.A O no hydrogen 3.079 N/A ILE 194.A N ILE 180.A O no hydrogen 2.943 N/A ARG 195.A N TYR 147.A OH no hydrogen 3.266 N/A ARG 195.A NE GLU 190.A OE1 no hydrogen 2.811 N/A ARG 195.A NH2 GLU 190.A OE2 no hydrogen 2.875 N/A ILE 196.A N TRP 178.A O no hydrogen 3.284 N/A ALA 197.A N MET 152.A O no hydrogen 2.874 N/A LYS 198.A N PRO 176.A O no hydrogen 2.862 N/A LYS 198.A NZ ASP 171.A OD1 no hydrogen 3.236 N/A LYS 198.A NZ ASP 171.A OD2 no hydrogen 2.802 N/A GLY 199.A N GLU 122.A OE1 no hydrogen 2.986 N/A ASN 201.A N GLU 122.A OE2 no hydrogen 2.818 N/A ASN 201.A ND2 GLU 207.A OE2.A no hydrogen 2.933 N/A GLN 202.A NE2 SER 200.A OG no hydrogen 2.995 N/A CYS 203.A N SER 157.A OG no hydrogen 2.805 N/A LEU 204.A N ASN 201.A O no hydrogen 3.055 N/A VAL 205.A N GLN 202.A O no hydrogen 3.134 N/A LYS 206.A N ASN 201.A OD1 no hydrogen 3.067 N/A LYS 206.A NZ.A GLN 120.A O no hydrogen 2.866 N/A GLU 207.A N LEU 204.A O no hydrogen 2.994 N/A SER 210.A N ALA 136.A O no hydrogen 2.846 N/A SER 210.A OG.A ASN 69.A OD1 no hydrogen 2.980 N/A SER 210.A OG.B ASN 69.A OD1 no hydrogen 2.513 N/A SER 211.A N VAL 116.A O no hydrogen 2.955 N/A SER 211.A OG ALA 212.A O no hydrogen 3.158 N/A ALA 212.A N ASN 33.A OD1 no hydrogen 2.748 N/A VAL 213.A N GLY 114.A O no hydrogen 2.856 N/A GLY 215.A N.A THR 111.A O no hydrogen 3.368 N/A GLY 215.A N.B THR 111.A O no hydrogen 3.399 N/A