Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5iue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N MET 102.A O no hydrogen 2.981 N/A HIS 2.A N MET 102.A O no hydrogen 3.124 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 2.800 N/A SER 3.A N ASP 28.A OD1 no hydrogen 3.026 N/A SER 3.A OG ASP 28.A OD1 no hydrogen 3.337 N/A LEU 4.A N CYS 100.A O no hydrogen 3.013 N/A ARG 5.A N TYR 26.A O no hydrogen 2.886 N/A ARG 5.A NH1 LEU 4.A O no hydrogen 3.413 N/A ARG 5.A NH1 CYS 100.A O no hydrogen 3.281 N/A ARG 5.A NH1 ASP 101.A OD1 no hydrogen 2.700 N/A ARG 5.A NH2 ASP 101.A OD1 no hydrogen 2.843 N/A ARG 5.A NH2 ASP 101.A OD2 no hydrogen 3.381 N/A TYR 6.A N ASN 98.A O no hydrogen 2.819 N/A TYR 6.A OH TYR 21.A OH no hydrogen 2.689 N/A PHE 7.A N VAL 24.A O no hydrogen 2.777 N/A SER 8.A N GLY 96.A O no hydrogen 3.062 N/A THR 9.A N ILE 22.A O no hydrogen 2.816 N/A ALA 10.A N LEU 94.A O no hydrogen 2.766 N/A VAL 11.A N ARG 20.A O no hydrogen 3.032 N/A SER 12.A N HIS 92.A O no hydrogen 3.090 N/A SER 12.A OG HIS 92.A O no hydrogen 3.544 N/A ARG 13.A NH1 GLU 18.A O no hydrogen 2.854 N/A ARG 13.A NH1 ASP 38.A OD1 no hydrogen 3.464 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 3.032 N/A ARG 16.A N ARG 13.A O no hydrogen 3.062 N/A ARG 20.A N VAL 11.A O no hydrogen 2.926 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 3.246 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.763 N/A TYR 21.A N SER 37.A OG no hydrogen 2.905 N/A TYR 21.A OH TYR 6.A OH no hydrogen 2.689 N/A ILE 22.A N THR 9.A O no hydrogen 3.011 N/A ALA 23.A N PHE 35.A O no hydrogen 2.832 N/A VAL 24.A N PHE 7.A O no hydrogen 2.844 N/A GLU 25.A N LEU 33.A O no hydrogen 3.157 N/A TYR 26.A N ARG 5.A O no hydrogen 2.927 N/A VAL 27.A N THR 30.A O no hydrogen 2.871 N/A ASP 28.A N SER 3.A O no hydrogen 2.864 N/A THR 30.A N VAL 27.A O no hydrogen 2.983 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 2.557 N/A GLN 31.A NE2 LEU 33.A O no hydrogen 3.093 N/A PHE 32.A N GLU 25.A O no hydrogen 3.096 N/A ARG 34.A N GLU 45.A O no hydrogen 3.184 N/A ARG 34.A NE GLU 45.A OE1 no hydrogen 3.093 N/A ARG 34.A NH2 GLU 45.A OE1 no hydrogen 3.062 N/A PHE 35.A N ALA 23.A O no hydrogen 2.611 N/A SER 37.A N TYR 21.A O no hydrogen 3.023 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.912 N/A ALA 39.A N ASP 36.A O no hydrogen 3.247 N/A ARG 43.A N ILE 41.A O no hydrogen 2.571 N/A MET 44.A N THR 63.A OG1 no hydrogen 2.936 N/A GLU 45.A N ARG 34.A O no hydrogen 2.884 N/A ARG 47.A N PHE 32.A O no hydrogen 2.904 N/A VAL 51.A N GLU 48.A O no hydrogen 3.444 N/A GLU 52.A N PRO 49.A O no hydrogen 3.059 N/A GLU 54.A N VAL 51.A O no hydrogen 3.450 N/A TYR 58.A N GLY 55.A O no hydrogen 3.246 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.629 N/A TRP 59.A NE1 GLU 54.A O no hydrogen 2.977 N/A GLU 60.A N PRO 56.A O no hydrogen 2.969 N/A TRP 61.A N GLN 57.A O no hydrogen 2.842 N/A THR 62.A N TYR 58.A O no hydrogen 2.728 N/A THR 62.A OG1 TYR 58.A O no hydrogen 2.890 N/A THR 62.A OG1 TRP 59.A O no hydrogen 3.235 N/A THR 63.A N TRP 59.A O no hydrogen 2.906 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.779 N/A GLY 64.A N GLU 60.A O no hydrogen 2.817 N/A TYR 65.A N TRP 61.A O no hydrogen 3.157 N/A TYR 65.A OH GLU 25.A OE2 no hydrogen 2.474 N/A ALA 66.A N THR 62.A O no hydrogen 3.072 N/A LYS 67.A N THR 63.A O no hydrogen 3.072 N/A ALA 68.A N GLY 64.A O no hydrogen 3.106 N/A ASN 69.A N TYR 65.A O no hydrogen 2.963 N/A ALA 70.A N ALA 66.A O no hydrogen 2.919 N/A GLN 71.A N LYS 67.A O no hydrogen 2.996 N/A THR 72.A N ALA 68.A O no hydrogen 2.842 N/A THR 72.A OG1 ALA 68.A O no hydrogen 2.926 N/A ASP 73.A N ASN 69.A O no hydrogen 2.812 N/A ARG 74.A N ALA 70.A O no hydrogen 3.052 N/A ARG 74.A NE PRO 19.A O no hydrogen 3.222 N/A VAL 75.A N GLN 71.A O no hydrogen 3.174 N/A ALA 76.A N THR 72.A O no hydrogen 2.939 N/A LEU 77.A N ASP 73.A O no hydrogen 2.812 N/A ARG 78.A N ARG 74.A O no hydrogen 3.360 N/A ASN 79.A N VAL 75.A O no hydrogen 3.006 N/A LEU 80.A N ALA 76.A O no hydrogen 2.748 N/A LEU 81.A N LEU 77.A O no hydrogen 3.073 N/A ARG 82.A N ARG 78.A O no hydrogen 3.339 N/A ARG 82.A NH1 ASN 79.A OD1 no hydrogen 3.386 N/A ARG 83.A N ASN 79.A O no hydrogen 3.044 N/A TYR 84.A N LEU 80.A O no hydrogen 3.084 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 3.261 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.515 N/A ASN 85.A N ARG 82.A O no hydrogen 2.951 N/A GLN 86.A N LEU 81.A O no hydrogen 3.127 N/A ALA 89.A N SER 87.A OG no hydrogen 3.076 N/A SER 91.A OG SER 12.A O no hydrogen 2.518 N/A HIS 92.A N SER 12.A OG no hydrogen 2.981 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 2.884 N/A THR 93.A N ASP 118.A OD1 no hydrogen 2.946 N/A LEU 94.A N ALA 10.A O no hydrogen 2.776 N/A GLN 95.A N ALA 116.A O no hydrogen 2.846 N/A GLY 96.A N SER 8.A O no hydrogen 3.133 N/A MET 97.A N GLN 114.A O no hydrogen 2.899 N/A ASN 98.A N TYR 6.A O no hydrogen 3.173 N/A GLY 99.A N TYR 112.A O no hydrogen 3.214 N/A CYS 100.A N LEU 4.A O no hydrogen 3.117 N/A ASP 101.A N ARG 110.A O no hydrogen 2.810 N/A MET 102.A N HIS 2.A O no hydrogen 2.915 N/A GLY 103.A N ARG 107.A O no hydrogen 2.920 N/A GLY 106.A N GLY 103.A O no hydrogen 2.916 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 3.329 N/A LEU 109.A N ASP 101.A O no hydrogen 2.625 N/A TYR 112.A N GLY 99.A O no hydrogen 2.982 N/A TYR 112.A OH ASP 101.A OD2 no hydrogen 3.195 N/A GLN 114.A N MET 97.A O no hydrogen 2.998 N/A HIS 115.A N ILE 123.A O no hydrogen 2.876 N/A ALA 116.A N GLN 95.A O no hydrogen 2.803 N/A TYR 117.A N LYS 120.A O no hydrogen 2.879 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.760 N/A ASP 118.A N THR 93.A O no hydrogen 2.736 N/A LYS 120.A N TYR 117.A O no hydrogen 3.079 N/A TYR 122.A N HIS 115.A O no hydrogen 3.079 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.672 N/A SER 124.A N THR 133.A O no hydrogen 3.174 N/A LEU 125.A N HIS 113.A O no hydrogen 2.658 N/A ASN 126.A N SER 131.A O no hydrogen 2.885 N/A ASN 126.A ND2 SER 131.A OG no hydrogen 2.841 N/A LEU 129.A N ASN 126.A O no hydrogen 3.035 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 2.885 N/A SER 131.A OG ASP 128.A OD1 no hydrogen 3.142 N/A SER 131.A OG ASP 128.A OD2 no hydrogen 3.175 N/A THR 133.A N SER 124.A O no hydrogen 2.932 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.599 N/A ALA 135.A N TYR 122.A O no hydrogen 2.868 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.858 N/A GLN 140.A N THR 137.A O no hydrogen 3.095 N/A GLN 140.A NE2 THR 137.A O no hydrogen 3.688 N/A ILE 141.A N VAL 138.A O no hydrogen 3.070 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.672 N/A GLN 143.A N ALA 139.A O no hydrogen 2.970 N/A GLN 143.A NE2 GLU 147.A OE2 no hydrogen 3.142 N/A ARG 144.A N GLN 140.A O no hydrogen 2.963 N/A PHE 145.A N ILE 141.A O no hydrogen 3.056 N/A TYR 146.A N THR 142.A O no hydrogen 2.830 N/A GLU 147.A N GLN 143.A O no hydrogen 2.849 N/A ALA 148.A N ARG 144.A O no hydrogen 3.005 N/A GLU 149.A N PHE 145.A O no hydrogen 3.100 N/A GLU 150.A N GLU 147.A O no hydrogen 3.068 N/A TYR 151.A N TYR 146.A O no hydrogen 2.845 N/A TYR 151.A OH HIS 113.A NE2 no hydrogen 2.650 N/A GLU 154.A N GLU 150.A O no hydrogen 3.417 N/A PHE 155.A N TYR 151.A O no hydrogen 3.047 N/A ARG 156.A N ALA 152.A O no hydrogen 2.904 N/A ARG 156.A NH1 LEU 129.A O no hydrogen 3.077 N/A THR 157.A N GLU 153.A O no hydrogen 3.141 N/A THR 157.A OG1 GLU 153.A O no hydrogen 3.160 N/A TYR 158.A N GLU 154.A O no hydrogen 3.320 N/A LEU 159.A N PHE 155.A O no hydrogen 2.855 N/A GLU 160.A N ARG 156.A O no hydrogen 2.869 N/A GLY 161.A N THR 157.A O no hydrogen 2.758 N/A CYS 163.A N TYR 158.A O no hydrogen 2.717 N/A LEU 166.A N GLU 162.A O no hydrogen 2.695 N/A LEU 167.A N CYS 163.A O no hydrogen 3.068 N/A ARG 168.A N LEU 164.A O no hydrogen 2.945 N/A ARG 168.A NH2 GLY 106.A O no hydrogen 3.044 N/A ARG 169.A N GLU 165.A O no hydrogen 3.086 N/A TYR 170.A N LEU 166.A O no hydrogen 3.035 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.629 N/A LEU 171.A N LEU 167.A O no hydrogen 2.908 N/A GLU 172.A N ARG 168.A O no hydrogen 3.099 N/A ASN 173.A N ARG 169.A O no hydrogen 2.959 N/A GLY 174.A N TYR 170.A O no hydrogen 2.668 N/A LYS 175.A N GLU 172.A O no hydrogen 3.359 N/A LEU 178.A N GLY 174.A O no hydrogen 2.592 N/A GLN 179.A N LYS 175.A O no hydrogen 3.117 N/A GLN 179.A NE2 LEU 171.A O no hydrogen 2.952 N/A ARG 180.A NE THR 177.A O no hydrogen 2.806 N/A ARG 180.A NH1 ASP 182.A OD2 no hydrogen 3.054 N/A ARG 180.A NH1 GLY 238.A O no hydrogen 3.387 N/A ARG 180.A NH2 GLY 238.A O no hydrogen 3.208 N/A ASP 182.A N TYR 208.A O no hydrogen 2.921 N/A LYS 185.A N LEU 205.A O no hydrogen 2.745 N/A HIS 187.A N TRP 203.A O no hydrogen 3.214 N/A ALA 189.A N ARG 201.A O no hydrogen 2.796 N/A HIS 190.A NE2 GLU 253.A OE2 no hydrogen 2.956 N/A HIS 191.A N THR 199.A O no hydrogen 2.838 N/A ILE 193.A N GLU 197.A O no hydrogen 2.996 N/A SER 194.A N GLU 197.A O no hydrogen 3.183 N/A ALA 198.A N VAL 248.A O no hydrogen 3.109 N/A THR 199.A N HIS 191.A O no hydrogen 2.687 N/A LEU 200.A N VAL 246.A O no hydrogen 2.988 N/A ARG 201.A N ALA 189.A O no hydrogen 2.967 N/A CYS 202.A N ALA 244.A O no hydrogen 2.627 N/A TRP 203.A N HIS 187.A O no hydrogen 2.752 N/A ALA 204.A N LYS 242.A O no hydrogen 2.911 N/A LEU 205.A N LYS 185.A O no hydrogen 2.954 N/A PHE 207.A N PHE 240.A O no hydrogen 3.477 N/A TYR 208.A N ASP 182.A O no hydrogen 2.987 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 2.557 N/A ALA 210.A N ASP 29.A OD2 no hydrogen 2.480 N/A THR 213.A N GLN 261.A O no hydrogen 2.958 N/A THR 215.A N HIS 259.A O no hydrogen 3.036 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 3.005 N/A GLN 217.A N THR 257.A O no hydrogen 2.909 N/A ARG 218.A N GLU 221.A O no hydrogen 2.729 N/A ASP 219.A N ARG 255.A O no hydrogen 2.785 N/A GLU 221.A N ARG 218.A O no hydrogen 3.094 N/A GLN 223.A N TRP 216.A O no hydrogen 2.837 N/A THR 224.A OG1 GLU 222.A OE2 no hydrogen 3.437 N/A THR 227.A OG1 GLN 223.A O no hydrogen 2.358 N/A GLU 228.A N ALA 245.A O no hydrogen 2.729 N/A VAL 230.A N TRP 243.A O no hydrogen 3.371 N/A ARG 233.A N GLN 241.A O no hydrogen 2.812 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 2.938 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 2.997 N/A ALA 235.A N THR 239.A O no hydrogen 2.939 N/A THR 239.A N ASP 237.A OD1 no hydrogen 3.049 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.650 N/A PHE 240.A N PHE 207.A O no hydrogen 3.016 N/A GLN 241.A N ARG 233.A O no hydrogen 2.742 N/A LYS 242.A N ALA 204.A O no hydrogen 3.065 N/A LYS 242.A NZ VAL 230.A O no hydrogen 2.736 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 2.926 N/A ALA 244.A N CYS 202.A O no hydrogen 3.016 N/A ALA 245.A N GLU 228.A O no hydrogen 2.751 N/A VAL 246.A N LEU 200.A O no hydrogen 2.987 N/A VAL 248.A N ALA 198.A O no hydrogen 2.961 N/A SER 250.A N HIS 196.A O no hydrogen 2.983 N/A SER 250.A OG ASP 195.A O no hydrogen 3.549 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 2.948 N/A GLY 251.A N GLU 253.A OE2 no hydrogen 3.377 N/A GLU 252.A N PRO 249.A O no hydrogen 3.096 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.864 N/A ARG 255.A N GLU 252.A O no hydrogen 2.962 N/A ARG 255.A NE ASP 219.A OD2 no hydrogen 2.848 N/A ARG 255.A NH1 GLU 252.A OE1 no hydrogen 2.774 N/A ARG 255.A NH2 ASP 219.A OD2 no hydrogen 2.605 N/A TYR 256.A N GLU 253.A O no hydrogen 3.098 N/A THR 257.A N GLN 217.A O no hydrogen 2.919 N/A THR 257.A OG1 HIS 259.A NE2 no hydrogen 3.018 N/A CYS 258.A N LEU 271.A O no hydrogen 2.793 N/A CYS 258.A SG THR 215.A O no hydrogen 3.811 N/A HIS 259.A N THR 215.A O no hydrogen 2.843 N/A HIS 259.A NE2 THR 257.A OG1 no hydrogen 3.018 N/A VAL 260.A N LEU 269.A O no hydrogen 2.938 N/A GLN 261.A N THR 213.A O no hydrogen 2.887 N/A HIS 262.A NE2 PRO 209.A O no hydrogen 2.806 N/A GLY 264.A N HIS 262.A ND1 no hydrogen 2.919 N/A LEU 265.A N HIS 262.A O no hydrogen 3.122 N/A GLN 267.A NE2 PRO 268.A O no hydrogen 3.588 N/A LEU 269.A N VAL 260.A O no hydrogen 2.972 N/A LEU 271.A N CYS 258.A O no hydrogen 2.797 N/A ARG 272.A NH1 GLN 254.A O no hydrogen 2.303 N/A