Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ism_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NE ASP 26.A OD1 no hydrogen 2.878 N/A ARG 6.A NH1 GLN 9.A OE1 no hydrogen 3.191 N/A ARG 6.A NH1 HIS 44.A ND1 no hydrogen 2.981 N/A ARG 6.A NH2 ASP 26.A OD1 no hydrogen 2.878 N/A ARG 6.A NH2 HIS 44.A ND1 no hydrogen 3.321 N/A ARG 6.A NH2 HIS 44.A O no hydrogen 3.065 N/A GLY 8.A N SER 5.A OG no hydrogen 3.134 N/A GLN 9.A N SER 5.A O no hydrogen 3.219 N/A ILE 10.A N ARG 6.A O no hydrogen 2.936 N/A MET 11.A N ILE 7.A O no hydrogen 2.958 N/A LYS 12.A N GLN 9.A O no hydrogen 3.427 N/A LYS 12.A NZ GLU 185.A OE2 no hydrogen 2.746 N/A TYR 13.A OH GLU 185.A OE2 no hydrogen 2.468 N/A GLY 14.A N MET 11.A O no hydrogen 3.048 N/A ARG 22.A N LEU 29.A O no hydrogen 2.742 N/A SER 23.A OG HIS 24.A O no hydrogen 3.418 N/A HIS 24.A N TYR 27.A O no hydrogen 2.773 N/A SER 25.A N GLU 105.A OE1 no hydrogen 2.789 N/A SER 25.A OG GLU 105.A OE1 no hydrogen 3.196 N/A SER 25.A OG GLU 105.A OE2 no hydrogen 2.777 N/A TYR 27.A OH GLU 105.A O no hydrogen 2.715 N/A VAL 28.A N PHE 42.A O no hydrogen 3.084 N/A LEU 29.A N ARG 22.A O no hydrogen 2.864 N/A SER 30.A N TRP 40.A O no hydrogen 2.876 N/A SER 30.A OG ASP 19.A O no hydrogen 2.626 N/A TYR 31.A N HIS 20.A O no hydrogen 3.006 N/A TYR 31.A OH PHE 73.A O no hydrogen 2.602 N/A ASP 32.A N VAL 37.A O no hydrogen 2.853 N/A ARG 34.A NH1.A TYR 164.A OH no hydrogen 3.389 N/A ASN 35.A N ASP 32.A OD1 no hydrogen 3.208 N/A ASN 35.A ND2 ASP 32.A OD2 no hydrogen 2.840 N/A ARG 36.A N ASP 32.A O no hydrogen 2.709 N/A ARG 36.A NE ASN 170.A O no hydrogen 2.733 N/A ARG 36.A NH1 ARG 33.A O no hydrogen 2.715 N/A HIS 39.A N SER 30.A O no hydrogen 2.799 N/A HIS 39.A NE2 ASP 19.A OD2 no hydrogen 2.929 N/A TRP 40.A N SER 30.A O no hydrogen 3.467 N/A VAL 41.A N THR 146.A O no hydrogen 2.950 N/A PHE 42.A N VAL 28.A O no hydrogen 2.837 N/A GLU 43.A N VAL 144.A O no hydrogen 2.904 N/A HIS 44.A NE2 ASN 141.A OD1 no hydrogen 2.709 N/A LEU 45.A N VAL 142.A O no hydrogen 2.675 N/A THR 46.A N SER 49.A OG no hydrogen 3.153 N/A SER 49.A N THR 46.A OG1 no hydrogen 3.169 N/A SER 49.A OG THR 46.A O no hydrogen 3.378 N/A VAL 50.A N THR 46.A O no hydrogen 3.233 N/A ALA 51.A N GLU 48.A O no hydrogen 3.242 N/A ASN 53.A ND2 ARG 97.A O no hydrogen 3.012 N/A ALA 55.A N ASN 53.A OD1 no hydrogen 2.848 N/A VAL 56.A N ASN 53.A O no hydrogen 3.205 N/A ASP 57.A N GLN 100.A OE1 no hydrogen 2.822 N/A SER 59.A N ASP 57.A OD1 no hydrogen 3.097 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 2.657 N/A SER 59.A OG ASP 57.A OD2 no hydrogen 3.198 N/A LYS 60.A N ASP 57.A O no hydrogen 2.954 N/A CYS 61.A N ARG 58.A O no hydrogen 3.138 N/A CYS 61.A SG ARG 58.A O no hydrogen 3.448 N/A CYS 61.A SG ASP 104.A OD1 no hydrogen 2.950 N/A LYS 64.A N PHE 107.A O no hydrogen 3.022 N/A LYS 64.A NZ ASP 62.A O no hydrogen 3.297 N/A LYS 64.A NZ ASP 104.A O no hydrogen 3.002 N/A SER 68.A N ASP 66.A OD1 no hydrogen 2.943 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.708 N/A ILE 69.A N ASP 66.A O no hydrogen 3.101 N/A PHE 72.A N HIS 70.A ND1 no hydrogen 3.146 N/A PHE 73.A N HIS 70.A O no hydrogen 2.917 N/A ARG 74.A NE ILE 69.A O no hydrogen 2.858 N/A ARG 74.A NH1 GLN 65.A OE1 no hydrogen 3.000 N/A ARG 74.A NH2 ILE 69.A O no hydrogen 2.896 N/A GLN 76.A N ASP 79.A OD2 no hydrogen 2.794 N/A GLN 76.A NE2 GLN 65.A OE1 no hydrogen 2.843 N/A ASN 77.A ND2 PHE 63.A O no hydrogen 3.309 N/A ASP 79.A N GLN 76.A O no hydrogen 2.902 N/A TYR 80.A N ASN 77.A O no hydrogen 3.008 N/A ARG 81.A N ASN 77.A O no hydrogen 2.961 N/A SER 83.A N TYR 80.A O no hydrogen 3.065 N/A SER 83.A OG TYR 80.A O no hydrogen 2.652 N/A TYR 85.A N SER 83.A OG no hydrogen 3.037 N/A TYR 85.A OH GLU 165.A OE2 no hydrogen 2.833 N/A ASP 86.A N GLN 115.A O no hydrogen 2.783 N/A ARG 87.A NH1 ASN 77.A OD1 no hydrogen 2.800 N/A GLY 88.A N ALA 113.A O no hydrogen 2.964 N/A MET 90.A N ASN 111.A O no hydrogen 2.848 N/A ALA 91.A N ASN 111.A OD1 no hydrogen 2.922 N/A ASN 95.A N ALA 92.A O no hydrogen 3.205 N/A ASN 95.A ND2 GLU 43.A OE1 no hydrogen 2.871 N/A ASN 95.A ND2 GLU 43.A OE2 no hydrogen 3.294 N/A HIS 96.A N ALA 93.A O no hydrogen 3.235 N/A HIS 96.A ND1 ASP 26.A OD2 no hydrogen 2.885 N/A HIS 96.A NE2 GLU 43.A OE1 no hydrogen 2.588 N/A ARG 97.A N SER 49.A O no hydrogen 2.880 N/A ARG 97.A NH1 VAL 50.A O no hydrogen 3.226 N/A GLN 100.A NE2 ASP 57.A O no hydrogen 3.293 N/A GLN 100.A NE2 ASP 104.A OD1 no hydrogen 2.976 N/A LYS 101.A N HIS 99.A ND1 no hydrogen 3.082 N/A LYS 101.A NZ SER 25.A OG no hydrogen 3.394 N/A LYS 101.A NZ GLU 105.A OE2 no hydrogen 2.475 N/A CYS 103.A N HIS 99.A O no hydrogen 3.274 N/A CYS 103.A SG ALA 93.A O no hydrogen 3.738 N/A ASP 104.A N GLN 100.A O no hydrogen 2.798 N/A GLU 105.A N LYS 101.A O no hydrogen 3.082 N/A THR 106.A N CYS 103.A O no hydrogen 2.977 N/A THR 106.A OG1 HIS 89.A NE2 no hydrogen 3.383 N/A THR 106.A OG1 CYS 103.A O no hydrogen 2.813 N/A PHE 107.A N ASP 104.A O no hydrogen 3.017 N/A LEU 109.A N LYS 64.A O no hydrogen 2.773 N/A SER 110.A OG ASP 66.A OD2 no hydrogen 2.659 N/A ASN 111.A N TYR 108.A O no hydrogen 2.852 N/A ASN 111.A ND2 ALA 91.A O no hydrogen 2.901 N/A ASN 111.A ND2 THR 106.A O no hydrogen 2.844 N/A MET 112.A N LEU 109.A O no hydrogen 3.087 N/A ALA 113.A N GLY 88.A O no hydrogen 2.913 N/A GLN 115.A N ASP 86.A O no hydrogen 3.126 N/A VAL 116.A N ASN 200.A OD1 no hydrogen 2.789 N/A GLY 119.A N ASP 123.A OD2 no hydrogen 2.847 N/A PHE 120.A N GLY 117.A O no hydrogen 3.130 N/A ASN 121.A N VAL 116.A O no hydrogen 2.775 N/A ASN 121.A ND2 ASP 86.A OD2 no hydrogen 2.811 N/A ARG 122.A N GLY 117.A O no hydrogen 3.024 N/A ARG 122.A NE ASP 86.A OD2 no hydrogen 2.731 N/A ARG 122.A NH1 ASP 86.A OD1 no hydrogen 2.786 N/A ARG 122.A NH1 ASP 86.A OD2 no hydrogen 3.544 N/A ASP 123.A N PHE 120.A O no hydrogen 3.012 N/A TRP 125.A N PHE 120.A O no hydrogen 2.824 N/A THR 127.A N ASP 123.A O no hydrogen 2.766 N/A THR 127.A OG1 ASP 123.A O no hydrogen 3.224 N/A LEU 128.A N ALA 124.A O no hydrogen 3.100 N/A GLU 129.A N TRP 125.A O no hydrogen 2.938 N/A ALA 130.A N ASN 126.A O no hydrogen 2.817 N/A HIS 131.A N THR 127.A O no hydrogen 2.945 N/A HIS 131.A NE2 GLU 194.A OE1 no hydrogen 2.724 N/A VAL 132.A N LEU 128.A O no hydrogen 2.948 N/A ARG 133.A N GLU 129.A O no hydrogen 3.070 N/A ARG 133.A NH1 ASN 95.A OD1 no hydrogen 3.008 N/A ARG 134.A N ALA 130.A O no hydrogen 2.907 N/A LEU 135.A N HIS 131.A O no hydrogen 3.075 N/A THR 136.A N ARG 133.A O no hydrogen 3.185 N/A THR 136.A OG1 ARG 133.A O no hydrogen 2.669 N/A LYS 137.A N ARG 134.A O no hydrogen 3.030 N/A THR 138.A N LEU 135.A O no hydrogen 2.931 N/A TYR 139.A N LEU 135.A O no hydrogen 2.865 N/A SER 140.A N GLU 185.A O no hydrogen 3.187 N/A SER 140.A OG GLU 185.A O no hydrogen 3.368 N/A ASN 141.A ND2 SER 140.A OG no hydrogen 2.789 N/A VAL 142.A N LEU 45.A O no hydrogen 2.967 N/A TYR 143.A N VAL 183.A O no hydrogen 2.862 N/A VAL 144.A N GLU 43.A O no hydrogen 2.892 N/A CYS 145.A N VAL 181.A O no hydrogen 2.927 N/A CYS 145.A SG VAL 41.A O no hydrogen 3.608 N/A THR 146.A N VAL 41.A O no hydrogen 3.100 N/A GLY 147.A N TYR 179.A O no hydrogen 3.175 N/A LEU 149.A N HIS 177.A O no hydrogen 2.820 N/A LEU 151.A N THR 176.A OG1 no hydrogen 2.793 N/A HIS 153.A N TYR 161.A O no hydrogen 2.853 N/A HIS 153.A NE2 GLU 155.A OE2 no hydrogen 3.039 N/A GLU 155.A N LYS 159.A O no hydrogen 2.905 N/A GLY 158.A N GLU 155.A O no hydrogen 2.838 N/A LYS 159.A N ASP 157.A OD1 no hydrogen 3.146 N/A TYR 161.A N HIS 153.A O no hydrogen 2.927 N/A TYR 161.A OH ASP 157.A OD2 no hydrogen 2.564 N/A ILE 167.A N VAL 172.A O no hydrogen 2.808 N/A ASN 170.A N ASP 79.A OD1 no hydrogen 3.009 N/A ASN 170.A ND2 ASP 79.A OD2 no hydrogen 2.728 N/A THR 171.A N GLY 168.A O no hydrogen 3.010 N/A VAL 172.A N ILE 167.A O no hydrogen 2.844 N/A ALA 173.A N ASN 35.A O no hydrogen 2.998 N/A VAL 174.A N GLU 165.A O no hydrogen 2.716 N/A THR 176.A N LEU 149.A O no hydrogen 2.970 N/A THR 176.A OG1 LEU 149.A O no hydrogen 3.375 N/A THR 176.A OG1 HIS 177.A ND1 no hydrogen 2.741 N/A HIS 177.A N LEU 149.A O no hydrogen 3.449 N/A HIS 177.A ND1 THR 176.A OG1 no hydrogen 2.741 N/A PHE 178.A N MET 198.A O no hydrogen 2.926 N/A TYR 179.A N GLY 147.A O no hydrogen 2.987 N/A LYS 180.A N TYR 196.A O no hydrogen 3.331 N/A LYS 180.A NZ THR 146.A OG1 no hydrogen 2.829 N/A VAL 181.A N CYS 145.A O no hydrogen 2.909 N/A ILE 182.A N GLU 194.A O no hydrogen 2.812 N/A VAL 183.A N TYR 143.A O no hydrogen 2.809 N/A GLY 184.A N HIS 192.A O no hydrogen 2.824 N/A GLU 185.A N ASN 141.A O no hydrogen 2.962 N/A SER 186.A N LYS 190.A O no hydrogen 2.802 N/A HIS 189.A N SER 186.A O no hydrogen 2.908 N/A LYS 190.A N ASP 188.A OD1 no hydrogen 3.105 N/A HIS 192.A N GLY 184.A O no hydrogen 2.926 N/A HIS 192.A ND1 THR 238.A OG1 no hydrogen 2.659 N/A MET 193.A N THR 238.A O no hydrogen 2.876 N/A GLU 194.A N ILE 182.A O no hydrogen 2.941 N/A SER 195.A N ASN 240.A OD1 no hydrogen 2.863 N/A SER 195.A OG VAL 214.A O no hydrogen 3.143 N/A TYR 196.A N LYS 180.A O no hydrogen 2.977 N/A TYR 196.A OH HIS 131.A NE2 no hydrogen 3.225 N/A TYR 196.A OH GLU 194.A OE1 no hydrogen 2.589 N/A VAL 197.A N PHE 212.A O no hydrogen 2.857 N/A MET 198.A N PHE 178.A O no hydrogen 2.882 N/A ASN 200.A N THR 176.A O no hydrogen 2.924 N/A ASN 200.A ND2 PRO 114.A O no hydrogen 2.933 N/A ASN 200.A ND2 PRO 175.A O no hydrogen 2.903 N/A ILE 203.A N GLY 119.A O no hydrogen 2.662 N/A ASP 206.A N SER 204.A OG no hydrogen 3.007 N/A THR 207.A N SER 204.A O no hydrogen 3.145 N/A THR 207.A OG1 SER 204.A O no hydrogen 3.498 N/A VAL 211.A N PRO 208.A O no hydrogen 3.233 N/A PHE 212.A N ILE 209.A O no hydrogen 3.059 N/A GLN 213.A N SER 210.A O no hydrogen 3.141 N/A GLN 213.A NE2 TYR 196.A OH no hydrogen 3.425 N/A VAL 214.A N SER 195.A O no hydrogen 2.931 N/A SER 218.A N PRO 215.A O no hydrogen 3.076 N/A GLU 220.A N PRO 216.A O no hydrogen 3.046 N/A ARG 221.A N GLU 217.A O no hydrogen 2.935 N/A SER 222.A N SER 218.A O no hydrogen 3.122 N/A SER 222.A OG SER 218.A O no hydrogen 3.230 N/A ALA 223.A N VAL 219.A O no hydrogen 2.725 N/A GLY 224.A N GLU 220.A O no hydrogen 3.019 N/A LEU 225.A N GLU 220.A O no hydrogen 3.488 N/A PHE 227.A N GLU 220.A OE2 no hydrogen 2.915 N/A GLN 230.A N TYR 13.A O no hydrogen 3.216 N/A GLN 230.A NE2 ASP 229.A OD1 no hydrogen 2.433 N/A ILE 231.A N PHE 228.A O no hydrogen 2.948 N/A ASN 232.A N GLN 235.A OE1 no hydrogen 3.046 N/A ARG 233.A NH1 GLU 217.A OE2 no hydrogen 2.962 N/A ARG 233.A NH1 GLU 220.A OE1 no hydrogen 3.106 N/A ARG 233.A NH2 GLU 220.A OE2 no hydrogen 2.752 N/A ARG 233.A NH2 PHE 227.A O no hydrogen 2.886 N/A LYS 234.A N ASN 232.A OD1 no hydrogen 3.263 N/A GLN 235.A N ASN 232.A O no hydrogen 2.613 N/A THR 237.A N LEU 191.A O no hydrogen 2.742 N/A THR 238.A OG1 HIS 192.A ND1 no hydrogen 2.659 N/A ILE 239.A N LYS 242.A O no hydrogen 2.936 N/A ASN 240.A N MET 193.A O no hydrogen 2.835 N/A ASN 240.A ND2 SER 195.A O no hydrogen 3.420 N/A ASN 240.A ND2 VAL 214.A O no hydrogen 3.029 N/A LYS 242.A N ILE 239.A O no hydrogen 3.184 N/A VAL 244.A N THR 237.A O no hydrogen 2.822 N/A