Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ci4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N LYS 1.A O no hydrogen 3.242 N/A ARG 6.A N SER 2.A O no hydrogen 2.934 N/A ILE 7.A N LEU 3.A O no hydrogen 3.120 N/A TYR 8.A N ALA 4.A O no hydrogen 3.069 N/A GLU 9.A N LYS 5.A O no hydrogen 3.076 N/A ALA 10.A N ARG 6.A O no hydrogen 2.732 N/A TYR 11.A N ILE 7.A O no hydrogen 2.892 N/A TYR 11.A N TYR 8.A O no hydrogen 3.231 N/A TYR 11.A OH ASP 153.A OD1 no hydrogen 2.551 N/A LEU 12.A N TYR 8.A O no hydrogen 2.985 N/A LYS 13.A N GLU 9.A O no hydrogen 2.923 N/A ASN 14.A N ALA 10.A O no hydrogen 3.007 N/A ASN 14.A ND2 ALA 10.A O no hydrogen 2.735 N/A PHE 15.A N TYR 11.A O no hydrogen 3.085 N/A ASN 16.A N GLU 67.A OE2 no hydrogen 3.467 N/A LYS 19.A N ASP 153.A OD1 no hydrogen 2.970 N/A LYS 19.A NZ LEU 151.A O no hydrogen 2.916 N/A VAL 20.A N ASP 153.A OD2 no hydrogen 3.114 N/A LYS 21.A N ASN 18.A OD1 no hydrogen 2.945 N/A ALA 22.A N ASN 18.A O no hydrogen 2.760 N/A ARG 23.A N LYS 19.A O no hydrogen 2.683 N/A ARG 23.A NH2 MET 106.A O no hydrogen 3.447 N/A VAL 24.A N VAL 20.A O no hydrogen 2.846 N/A ILE 25.A N LYS 21.A O no hydrogen 3.089 N/A LEU 26.A N ALA 22.A O no hydrogen 3.037 N/A SER 27.A N VAL 24.A O no hydrogen 3.222 N/A PHE 30.A N ASN 117.A O no hydrogen 2.805 N/A ILE 32.A N PHE 119.A O no hydrogen 2.865 N/A HIS 33.A N THR 37.A OG1 no hydrogen 2.921 N/A ASP 34.A N THR 37.A OG1 no hydrogen 2.914 N/A THR 37.A OG1 VAL 31.A O no hydrogen 3.391 N/A THR 37.A OG1 ASP 34.A O no hydrogen 2.958 N/A LEU 38.A N ASP 34.A O no hydrogen 2.808 N/A CYS 39.A N MET 35.A O no hydrogen 2.840 N/A CYS 39.A SG MET 35.A O no hydrogen 3.366 N/A MET 40.A N GLU 36.A O no hydrogen 3.145 N/A ALA 41.A N THR 37.A O no hydrogen 3.140 N/A GLU 42.A N LEU 38.A O no hydrogen 2.904 N/A LYS 43.A N MET 40.A O no hydrogen 2.968 N/A THR 44.A N MET 40.A O no hydrogen 3.174 N/A THR 44.A OG1 MET 40.A O no hydrogen 3.010 N/A LEU 45.A N ALA 41.A O no hydrogen 2.577 N/A VAL 46.A N ALA 41.A O no hydrogen 3.361 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.524 N/A ARG 52.A NE GLU 42.A OE2 no hydrogen 2.567 N/A ARG 52.A NH1 LYS 47.A O no hydrogen 2.653 N/A ARG 52.A NH2 GLU 42.A OE1 no hydrogen 3.484 N/A ILE 53.A N ALA 49.A O no hydrogen 2.858 N/A PHE 54.A N GLU 50.A O no hydrogen 3.027 N/A HIS 55.A N VAL 51.A O no hydrogen 2.843 N/A CYS 56.A N ARG 52.A O no hydrogen 3.012 N/A CYS 56.A SG ARG 52.A O no hydrogen 3.737 N/A CYS 57.A N ILE 53.A O no hydrogen 3.002 N/A CYS 57.A SG ILE 53.A O no hydrogen 3.268 N/A GLN 58.A N PHE 54.A O no hydrogen 3.081 N/A GLN 58.A NE2 ALA 236.A O no hydrogen 2.961 N/A CYS 59.A N HIS 55.A O no hydrogen 3.082 N/A CYS 59.A SG HIS 55.A O no hydrogen 3.372 N/A THR 60.A N CYS 56.A O no hydrogen 3.181 N/A THR 60.A OG1 CYS 56.A O no hydrogen 3.368 N/A SER 61.A N CYS 57.A O no hydrogen 2.764 N/A VAL 62.A N GLN 58.A O no hydrogen 2.925 N/A GLU 63.A N CYS 59.A O no hydrogen 3.124 N/A THR 64.A N THR 60.A O no hydrogen 3.042 N/A THR 64.A OG1 THR 60.A O no hydrogen 2.779 N/A VAL 65.A N SER 61.A O no hydrogen 3.021 N/A THR 66.A N VAL 62.A O no hydrogen 3.101 N/A THR 66.A OG1 VAL 62.A O no hydrogen 2.956 N/A GLU 67.A N GLU 63.A O no hydrogen 3.006 N/A LEU 68.A N THR 64.A O no hydrogen 2.728 N/A THR 69.A N VAL 65.A O no hydrogen 2.789 N/A THR 69.A OG1 VAL 65.A O no hydrogen 2.801 N/A GLU 70.A N THR 66.A O no hydrogen 3.049 N/A PHE 71.A N GLU 67.A O no hydrogen 2.800 N/A ALA 72.A N LEU 68.A O no hydrogen 2.755 N/A LYS 73.A N THR 69.A O no hydrogen 3.074 N/A LYS 73.A NZ GLU 70.A OE2 no hydrogen 3.130 N/A ALA 74.A N PHE 71.A O no hydrogen 2.859 N/A ILE 75.A N ALA 72.A O no hydrogen 2.854 N/A PHE 78.A N ILE 75.A O no hydrogen 2.833 N/A ASN 80.A N GLY 77.A O no hydrogen 3.033 N/A LEU 81.A N PHE 78.A O no hydrogen 3.024 N/A ASN 84.A N ASP 82.A OD2 no hydrogen 3.006 N/A ASN 84.A ND2 ASP 82.A OD2 no hydrogen 3.217 N/A ASP 85.A N ASP 82.A O no hydrogen 3.122 N/A GLN 86.A N ASP 82.A O no hydrogen 2.906 N/A GLN 86.A NE2 LEU 81.A O no hydrogen 3.175 N/A VAL 87.A N LEU 83.A O no hydrogen 2.678 N/A THR 88.A N ASN 84.A O no hydrogen 2.982 N/A THR 88.A OG1 ASN 84.A O no hydrogen 2.726 N/A LEU 89.A N ASP 85.A O no hydrogen 2.928 N/A LEU 90.A N GLN 86.A O no hydrogen 3.239 N/A LYS 91.A N VAL 87.A O no hydrogen 2.794 N/A LYS 91.A NZ ILE 244.A O no hydrogen 3.034 N/A LYS 91.A NZ ARG 246.A O no hydrogen 2.744 N/A TYR 92.A N THR 88.A O no hydrogen 2.977 N/A GLY 93.A N LEU 90.A O no hydrogen 3.101 N/A VAL 94.A N LEU 90.A O no hydrogen 2.939 N/A ALA 97.A N GLY 93.A O no hydrogen 3.064 N/A ILE 98.A N VAL 94.A O no hydrogen 2.661 N/A PHE 99.A N TYR 95.A O no hydrogen 3.046 N/A ALA 100.A N GLU 96.A O no hydrogen 2.957 N/A MET 101.A N ALA 97.A O no hydrogen 2.814 N/A LEU 102.A N ILE 98.A O no hydrogen 2.723 N/A SER 103.A N ALA 100.A O no hydrogen 3.203 N/A SER 103.A OG PHE 99.A O no hydrogen 3.300 N/A SER 103.A OG ALA 100.A O no hydrogen 3.016 N/A SER 104.A N MET 101.A O no hydrogen 3.065 N/A SER 104.A OG MET 101.A O no hydrogen 3.535 N/A VAL 105.A N LEU 102.A O no hydrogen 3.168 N/A MET 106.A N SER 103.A O no hydrogen 3.197 N/A ASN 107.A N GLY 110.A O no hydrogen 2.961 N/A ASP 109.A N ASN 107.A OD1 no hydrogen 2.839 N/A GLY 110.A N ASN 107.A O no hydrogen 3.321 N/A GLY 110.A N ASN 107.A OD1 no hydrogen 3.118 N/A MET 111.A N ILE 120.A O no hydrogen 2.956 N/A LEU 112.A N VAL 105.A O no hydrogen 2.883 N/A VAL 113.A N GLY 118.A O no hydrogen 2.955 N/A TYR 115.A OH GLU 63.A OE1 no hydrogen 3.260 N/A TYR 115.A OH GLU 63.A OE2 no hydrogen 2.327 N/A GLY 116.A N VAL 113.A O no hydrogen 3.174 N/A ASN 117.A N ALA 114.A O no hydrogen 3.028 N/A GLY 118.A N VAL 113.A O no hydrogen 2.904 N/A ILE 120.A N MET 111.A O no hydrogen 2.919 N/A THR 121.A N ILE 32.A O no hydrogen 3.422 N/A ARG 122.A N ASP 109.A O no hydrogen 2.702 N/A ARG 122.A NE GLU 137.A OE2 no hydrogen 2.581 N/A ARG 122.A NH2 GLU 137.A OE1 no hydrogen 3.435 N/A PHE 124.A N THR 121.A OG1 no hydrogen 2.904 N/A LEU 125.A N THR 121.A O no hydrogen 3.047 N/A LYS 126.A N ARG 122.A O no hydrogen 2.975 N/A SER 127.A N GLU 123.A O no hydrogen 2.883 N/A SER 127.A OG PHE 124.A O no hydrogen 2.789 N/A LEU 128.A N LEU 125.A O no hydrogen 3.376 N/A ARG 129.A NE LYS 130.A O no hydrogen 3.395 N/A ARG 129.A NH2 LYS 130.A O no hydrogen 3.541 N/A CYS 133.A N ARG 129.A O no hydrogen 3.273 N/A CYS 133.A SG LEU 128.A O no hydrogen 3.241 N/A CYS 133.A SG ASP 134.A OD1 no hydrogen 3.527 N/A ASP 134.A N PRO 131.A O no hydrogen 2.864 N/A ILE 135.A N PHE 132.A O no hydrogen 3.331 N/A LYS 139.A NZ ILE 135.A O no hydrogen 2.914 N/A LYS 139.A NZ HIS 221.A ND1 no hydrogen 2.845 N/A PHE 140.A N MET 136.A O no hydrogen 2.888 N/A ASP 141.A N GLU 137.A O no hydrogen 2.829 N/A PHE 142.A N PRO 138.A O no hydrogen 2.872 N/A ALA 143.A N LYS 139.A O no hydrogen 2.946 N/A MET 144.A N PHE 140.A O no hydrogen 3.038 N/A LYS 145.A N ASP 141.A O no hydrogen 3.519 N/A PHE 146.A N PHE 142.A O no hydrogen 2.911 N/A ASN 147.A N ALA 143.A O no hydrogen 2.679 N/A ASN 147.A ND2 SER 103.A O no hydrogen 2.971 N/A ALA 148.A N MET 144.A O no hydrogen 3.140 N/A LEU 149.A N PHE 146.A O no hydrogen 2.882 N/A GLU 150.A N ASN 147.A O no hydrogen 2.868 N/A ASP 152.A N ASP 155.A OD2 no hydrogen 2.652 N/A SER 154.A OG ASP 152.A OD1 no hydrogen 2.687 N/A SER 154.A OG HIS 192.A NE2 no hydrogen 2.744 N/A ASP 155.A N ASP 152.A OD1 no hydrogen 2.956 N/A ILE 156.A N ASP 152.A O no hydrogen 2.784 N/A SER 157.A N ASP 153.A O no hydrogen 2.855 N/A SER 157.A OG ASP 153.A O no hydrogen 3.247 N/A SER 157.A OG SER 154.A O no hydrogen 3.086 N/A PHE 159.A N ASP 155.A O no hydrogen 2.826 N/A VAL 160.A N ILE 156.A O no hydrogen 2.732 N/A ALA 161.A N SER 157.A O no hydrogen 2.919 N/A ALA 162.A N LEU 158.A O no hydrogen 2.977 N/A ILE 163.A N PHE 159.A O no hydrogen 2.930 N/A ILE 164.A N VAL 160.A O no hydrogen 2.923 N/A CYS 165.A N ALA 161.A O no hydrogen 2.841 N/A CYS 165.A SG ALA 161.A O no hydrogen 3.458 N/A CYS 166.A SG ASP 168.A OD1 no hydrogen 3.095 N/A GLY 167.A N GLN 182.A OE1 no hydrogen 3.227 N/A ARG 169.A NH1 GLU 96.A OE1 no hydrogen 3.524 N/A ARG 169.A NH1 GLU 96.A OE2 no hydrogen 2.839 N/A ARG 169.A NH2 GLU 96.A OE1 no hydrogen 2.915 N/A ARG 169.A NH2 ILE 163.A O no hydrogen 2.792 N/A LEU 173.A N ASP 85.A OD1 no hydrogen 2.875 N/A LEU 173.A N ASP 85.A OD2 no hydrogen 3.336 N/A ASN 174.A N ASP 85.A OD2 no hydrogen 3.077 N/A HIS 177.A N ASN 174.A OD1 no hydrogen 3.234 N/A ILE 178.A N ASN 174.A O no hydrogen 3.172 N/A GLU 179.A N VAL 175.A O no hydrogen 2.755 N/A LYS 180.A N GLY 176.A O no hydrogen 3.169 N/A MET 181.A N HIS 177.A O no hydrogen 2.907 N/A GLN 182.A N ILE 178.A O no hydrogen 2.924 N/A GLU 183.A N GLU 179.A O no hydrogen 2.777 N/A GLY 184.A N LYS 180.A O no hydrogen 2.903 N/A ILE 185.A N MET 181.A O no hydrogen 3.064 N/A VAL 186.A N GLN 182.A O no hydrogen 2.762 N/A HIS 187.A N GLU 183.A O no hydrogen 2.854 N/A VAL 188.A N GLY 184.A O no hydrogen 3.138 N/A LEU 189.A N ILE 185.A O no hydrogen 2.896 N/A ARG 190.A N VAL 186.A O no hydrogen 2.874 N/A LEU 191.A N HIS 187.A O no hydrogen 3.189 N/A HIS 192.A N VAL 188.A O no hydrogen 2.777 N/A HIS 192.A NE2 SER 154.A OG no hydrogen 2.744 N/A LEU 193.A N LEU 189.A O no hydrogen 2.699 N/A GLN 194.A N ARG 190.A O no hydrogen 2.863 N/A SER 195.A N LEU 191.A O no hydrogen 3.035 N/A SER 195.A OG HIS 192.A O no hydrogen 3.238 N/A ASN 196.A N HIS 192.A O no hydrogen 2.941 N/A ASN 196.A ND2 ASP 152.A OD2 no hydrogen 3.068 N/A ASN 196.A ND2 ASP 155.A OD1 no hydrogen 3.353 N/A ASN 196.A ND2 HIS 197.A NE2 no hydrogen 3.380 N/A HIS 197.A N LEU 193.A O no hydrogen 2.893 N/A HIS 197.A NE2 ASP 155.A OD2 no hydrogen 2.957 N/A ASP 200.A N HIS 197.A O no hydrogen 3.208 N/A PHE 202.A N ASP 200.A OD1 no hydrogen 3.224 N/A LEU 203.A N ASP 200.A O no hydrogen 2.965 N/A LYS 206.A NZ ASP 200.A OD2 no hydrogen 2.781 N/A LEU 207.A N LEU 203.A O no hydrogen 3.043 N/A LEU 207.A N PHE 204.A O no hydrogen 2.971 N/A LEU 208.A N PHE 204.A O no hydrogen 3.132 N/A GLN 209.A N PRO 205.A O no hydrogen 3.118 N/A LYS 210.A N LYS 206.A O no hydrogen 2.929 N/A MET 211.A N LEU 207.A O no hydrogen 2.901 N/A ALA 212.A N LEU 208.A O no hydrogen 3.237 N/A ASP 213.A N GLN 209.A O no hydrogen 2.977 N/A LEU 214.A N LYS 210.A O no hydrogen 2.845 N/A ARG 215.A N MET 211.A O no hydrogen 3.126 N/A ARG 215.A NH1 ASP 168.A OD1 no hydrogen 3.091 N/A ARG 215.A NH1 ASP 168.A OD2 no hydrogen 3.522 N/A GLN 216.A N ALA 212.A O no hydrogen 3.218 N/A LEU 217.A N ASP 213.A O no hydrogen 2.782 N/A VAL 218.A N LEU 214.A O no hydrogen 2.936 N/A THR 219.A N ARG 215.A O no hydrogen 3.143 N/A THR 219.A OG1 ARG 215.A O no hydrogen 3.047 N/A GLU 220.A N GLN 216.A O no hydrogen 3.124 N/A HIS 221.A N LEU 217.A O no hydrogen 2.919 N/A ALA 222.A N VAL 218.A O no hydrogen 2.845 N/A GLN 223.A N THR 219.A O no hydrogen 3.334 N/A GLN 223.A N GLU 220.A O no hydrogen 3.235 N/A LEU 224.A N GLU 220.A O no hydrogen 3.153 N/A VAL 225.A N HIS 221.A O no hydrogen 2.831 N/A GLN 226.A N ALA 222.A O no hydrogen 2.860 N/A ILE 227.A N GLN 223.A O no hydrogen 2.779 N/A ILE 228.A N LEU 224.A O no hydrogen 2.818 N/A LYS 229.A N VAL 225.A O no hydrogen 2.868 N/A LYS 230.A N GLN 226.A O no hydrogen 3.297 N/A LYS 230.A N ILE 227.A O no hydrogen 2.889 N/A THR 231.A N ILE 227.A O no hydrogen 2.711 N/A THR 231.A OG1 ILE 227.A O no hydrogen 3.488 N/A GLU 232.A N ILE 228.A O no hydrogen 3.318 N/A HIS 238.A N GLN 58.A OE1 no hydrogen 2.778 N/A LEU 240.A N HIS 238.A ND1 no hydrogen 2.977 N/A GLN 242.A N HIS 238.A O no hydrogen 2.914 N/A GLU 243.A N PRO 239.A O no hydrogen 2.948 N/A ILE 244.A N LEU 240.A O no hydrogen 3.039 N/A TYR 245.A N LEU 241.A O no hydrogen 2.952 N/A ARG 246.A N GLU 243.A O no hydrogen 3.126 N/A ARG 246.A NE GLU 243.A OE1 no hydrogen 3.061 N/A MET 248.A N TYR 245.A O no hydrogen 3.167 N/A