Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jag_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ALA 1.A O no hydrogen 2.488 N/A ARG 3.A NH2 LEU 59.A O no hydrogen 3.388 N/A LEU 8.A N ASN 5.A OD1 no hydrogen 2.729 N/A SER 9.A N ASN 5.A O no hydrogen 2.940 N/A SER 9.A OG ASN 5.A O no hydrogen 3.011 N/A SER 10.A N ALA 6.A O no hydrogen 2.819 N/A SER 10.A OG ALA 6.A O no hydrogen 2.791 N/A SER 10.A OG LEU 7.A O no hydrogen 3.029 N/A SER 11.A N LEU 7.A O no hydrogen 3.382 N/A SER 11.A OG LEU 8.A O no hydrogen 2.721 N/A SER 11.A OG SER 210.A OG no hydrogen 2.822 N/A LEU 12.A N SER 9.A O no hydrogen 3.127 N/A TRP 13.A N SER 9.A O no hydrogen 3.175 N/A VAL 14.A N SER 10.A O no hydrogen 3.060 N/A ASN 15.A ND2 TYR 56.A OH no hydrogen 2.815 N/A ASN 15.A ND2 SER 214.A O no hydrogen 3.038 N/A VAL 16.A N LEU 12.A O no hydrogen 3.293 N/A VAL 16.A N TRP 13.A O no hydrogen 3.055 N/A ALA 17.A N TRP 13.A O no hydrogen 3.124 N/A LEU 18.A N VAL 14.A O no hydrogen 3.010 N/A ALA 19.A N ASN 15.A O no hydrogen 2.899 N/A GLY 20.A N VAL 16.A O no hydrogen 3.020 N/A ILE 21.A N ALA 17.A O no hydrogen 2.946 N/A ALA 22.A N LEU 18.A O no hydrogen 2.877 N/A ILE 23.A N ALA 19.A O no hydrogen 3.075 N/A LEU 24.A N GLY 20.A O no hydrogen 3.384 N/A VAL 25.A N ILE 21.A O no hydrogen 2.987 N/A PHE 26.A N ALA 22.A O no hydrogen 2.831 N/A VAL 27.A N ILE 23.A O no hydrogen 2.893 N/A TYR 28.A N LEU 24.A O no hydrogen 3.042 N/A MET 29.A N VAL 25.A O no hydrogen 2.870 N/A GLY 30.A N PHE 26.A O no hydrogen 3.018 N/A GLY 30.A N VAL 27.A O no hydrogen 3.236 N/A ARG 31.A N TYR 28.A O no hydrogen 2.935 N/A ILE 33.A N GLY 30.A O no hydrogen 3.309 N/A ARG 39.A N ARG 34.A O no hydrogen 3.351 N/A LEU 40.A N GLY 36.A O no hydrogen 3.126 N/A ILE 41.A N ARG 37.A O no hydrogen 3.042 N/A TRP 42.A N PRO 38.A O no hydrogen 2.973 N/A TRP 42.A NE1 PHE 26.A O no hydrogen 2.902 N/A GLY 43.A N ARG 39.A O no hydrogen 3.017 N/A ALA 44.A N LEU 40.A O no hydrogen 2.971 N/A THR 45.A N ILE 41.A O no hydrogen 2.989 N/A THR 45.A OG1 ILE 41.A O no hydrogen 2.736 N/A LEU 46.A N TRP 42.A O no hydrogen 3.120 N/A MET 47.A N GLY 43.A O no hydrogen 3.401 N/A ILE 48.A N THR 45.A O no hydrogen 3.257 N/A VAL 51.A N MET 47.A O no hydrogen 2.961 N/A SER 52.A N ILE 48.A O no hydrogen 3.038 N/A SER 52.A OG TYR 222.A OH no hydrogen 2.763 N/A ILE 53.A N PRO 49.A O no hydrogen 2.919 N/A SER 54.A N LEU 50.A O no hydrogen 3.219 N/A SER 54.A OG LEU 50.A O no hydrogen 3.037 N/A SER 55.A N VAL 51.A O no hydrogen 2.979 N/A SER 55.A OG THR 90.A OG1.B no hydrogen 2.785 N/A TYR 56.A N SER 52.A O no hydrogen 3.061 N/A TYR 56.A OH ASP 217.A OD2.A no hydrogen 2.596 N/A TYR 56.A OH ASP 217.A OD2.B no hydrogen 2.765 N/A LEU 57.A N ILE 53.A O no hydrogen 3.002 N/A GLY 58.A N SER 54.A O no hydrogen 3.096 N/A LEU 59.A N SER 55.A O no hydrogen 3.169 N/A LEU 60.A N TYR 56.A O no hydrogen 2.936 N/A SER 61.A N LEU 57.A O no hydrogen 2.919 N/A SER 61.A OG LEU 57.A O no hydrogen 3.057 N/A SER 61.A OG GLY 58.A O no hydrogen 3.072 N/A GLY 62.A N LEU 59.A O no hydrogen 3.077 N/A LEU 63.A N SER 61.A OG no hydrogen 3.217 N/A THR 64.A N GLY 58.A O no hydrogen 3.180 N/A VAL 65.A N GLY 62.A O no hydrogen 3.483 N/A GLY 66.A N SER 83.A O no hydrogen 3.072 N/A ILE 68.A N VAL 81.A O no hydrogen 2.928 N/A MET 70.A N GLU 79.A O no hydrogen 3.008 N/A HIS 74.A N PRO 71.A O no hydrogen 3.217 N/A LEU 76.A N HIS 74.A ND1 no hydrogen 2.924 N/A ALA 77.A N HIS 74.A O no hydrogen 2.872 N/A GLY 78.A N MET 70.A O no hydrogen 2.944 N/A GLU 79.A N LEU 76.A O no hydrogen 2.966 N/A VAL 81.A N ILE 68.A O no hydrogen 2.835 N/A SER 83.A N GLY 66.A O no hydrogen 2.729 N/A SER 83.A OG GLU 198.A OE1.A no hydrogen 2.985 N/A SER 83.A OG GLU 198.A OE1.B no hydrogen 3.244 N/A GLN 84.A NE2 SER 210.A OG no hydrogen 3.077 N/A GLY 86.A N THR 64.A O no hydrogen 2.824 N/A ARG 87.A N GLN 84.A O no hydrogen 3.018 N/A ARG 87.A NE GLN 84.A OE1 no hydrogen 2.854 N/A ARG 87.A NH1 TYR 56.A OH no hydrogen 3.160 N/A ARG 87.A NH2 GLN 84.A OE1 no hydrogen 3.533 N/A ARG 87.A NH2 SER 210.A OG no hydrogen 3.121 N/A ARG 87.A NH2 SER 214.A OG no hydrogen 3.139 N/A TYR 88.A OH.A GLU 198.A OE2.A no hydrogen 2.535 N/A TYR 88.A OH.B GLU 198.A OE2.A no hydrogen 1.984 N/A TYR 88.A OH.B GLU 198.A OE2.B no hydrogen 2.583 N/A LEU 89.A N TRP 85.A O no hydrogen 3.121 N/A THR 90.A N.A GLY 86.A O no hydrogen 2.907 N/A THR 90.A N.B GLY 86.A O no hydrogen 2.913 N/A THR 90.A OG1.A GLY 86.A O no hydrogen 2.908 N/A THR 90.A OG1.B SER 55.A OG no hydrogen 2.785 N/A THR 90.A OG1.B GLY 86.A O no hydrogen 3.249 N/A THR 90.A OG1.B ARG 87.A O no hydrogen 3.078 N/A TRP 91.A N.A ARG 87.A O no hydrogen 3.021 N/A TRP 91.A N.B ARG 87.A O no hydrogen 2.908 N/A TRP 91.A N.B TYR 88.A O.A no hydrogen 2.910 N/A ALA 92.A N TYR 88.A O.A no hydrogen 3.446 N/A LEU 93.A N THR 90.A O.A no hydrogen 2.787 N/A LEU 93.A N THR 90.A O.B no hydrogen 2.870 N/A SER 94.A N.A THR 90.A O.A no hydrogen 2.970 N/A SER 94.A N.A THR 90.A O.B no hydrogen 2.954 N/A SER 94.A N.B THR 90.A O.A no hydrogen 3.002 N/A SER 94.A N.B THR 90.A O.B no hydrogen 2.979 N/A SER 94.A OG.A THR 90.A O.A no hydrogen 3.023 N/A SER 94.A OG.A THR 90.A O.B no hydrogen 2.814 N/A SER 94.A OG.B THR 90.A O.B no hydrogen 3.421 N/A SER 94.A OG.B TRP 91.A O.A no hydrogen 3.417 N/A THR 95.A N TRP 91.A O.A no hydrogen 2.703 N/A THR 95.A N TRP 91.A O.B no hydrogen 2.882 N/A THR 95.A OG1 TRP 91.A O.A no hydrogen 2.726 N/A THR 95.A OG1 TRP 91.A O.B no hydrogen 2.337 N/A THR 95.A OG1 ASP 120.A OD1 no hydrogen 3.077 N/A THR 95.A OG1 ASP 120.A OD2 no hydrogen 2.270 N/A ILE 98.A N SER 94.A O.A no hydrogen 3.146 N/A ILE 98.A N SER 94.A O.B no hydrogen 3.166 N/A LEU 99.A N THR 95.A O no hydrogen 3.062 N/A LEU 100.A N PRO 96.A O no hydrogen 2.972 N/A ALA 101.A N MET 97.A O no hydrogen 3.105 N/A LEU 102.A N ILE 98.A O no hydrogen 3.162 N/A GLY 103.A N LEU 99.A O no hydrogen 2.797 N/A LEU 104.A N LEU 100.A O no hydrogen 2.898 N/A LEU 105.A N ALA 101.A O no hydrogen 3.112 N/A ALA 106.A N LEU 102.A O no hydrogen 2.942 N/A ASP 107.A N LEU 104.A O no hydrogen 2.837 N/A VAL 108.A N GLY 103.A O no hydrogen 3.067 N/A SER 112.A OG ASP 161.A OD2 no hydrogen 2.627 N/A LEU 113.A N ASP 109.A O no hydrogen 3.013 N/A PHE 114.A N LEU 110.A O no hydrogen 3.073 N/A THR 115.A N GLY 111.A O no hydrogen 3.137 N/A THR 115.A OG1 GLY 111.A O no hydrogen 2.894 N/A VAL 116.A N SER 112.A O no hydrogen 3.006 N/A ILE 117.A N LEU 113.A O no hydrogen 3.099 N/A ALA 118.A N PHE 114.A O no hydrogen 3.162 N/A ALA 119.A N THR 115.A O no hydrogen 3.051 N/A ASP 120.A N VAL 116.A O no hydrogen 2.852 N/A ILE 121.A N ILE 117.A O no hydrogen 2.921 N/A GLY 122.A N ALA 118.A O no hydrogen 3.030 N/A MET 123.A N ALA 119.A O no hydrogen 2.919 N/A CYS 124.A N ASP 120.A O no hydrogen 3.076 N/A CYS 124.A SG THR 95.A OG1 no hydrogen 3.567 N/A CYS 124.A SG ASP 120.A O no hydrogen 3.497 N/A VAL 125.A N ILE 121.A O no hydrogen 2.989 N/A THR 126.A N GLY 122.A O no hydrogen 3.042 N/A THR 126.A OG1 GLY 122.A O no hydrogen 2.780 N/A THR 126.A OG1 MET 123.A O no hydrogen 3.274 N/A GLY 127.A N MET 123.A O no hydrogen 3.150 N/A LEU 128.A N CYS 124.A O no hydrogen 3.075 N/A ALA 129.A N VAL 125.A O no hydrogen 3.001 N/A ALA 130.A N THR 126.A O no hydrogen 2.983 N/A ALA 131.A N GLY 127.A O no hydrogen 3.215 N/A MET 132.A N LEU 128.A O no hydrogen 2.922 N/A THR 133.A N ALA 129.A O no hydrogen 2.977 N/A THR 133.A OG1 ALA 129.A O no hydrogen 2.695 N/A PHE 139.A N ALA 136.A O no hydrogen 3.253 N/A ARG 140.A NH1 ALA 131.A O no hydrogen 2.900 N/A ARG 140.A NH1 THR 133.A O no hydrogen 2.867 N/A ARG 140.A NH2 GLU 198.A O.A no hydrogen 3.098 N/A ARG 140.A NH2 GLU 198.A O.B no hydrogen 3.176 N/A TRP 141.A N LEU 137.A O no hydrogen 3.223 N/A ALA 142.A N LEU 138.A O no hydrogen 2.976 N/A PHE 143.A N PHE 139.A O no hydrogen 3.121 N/A TYR 144.A N ARG 140.A O no hydrogen 3.245 N/A TYR 144.A OH PRO 190.A O no hydrogen 2.899 N/A ALA 145.A N TRP 141.A O no hydrogen 3.000 N/A ILE 146.A N ALA 142.A O no hydrogen 3.040 N/A SER 147.A N PHE 143.A O no hydrogen 2.816 N/A SER 147.A OG MET 123.A O no hydrogen 2.746 N/A CYS 148.A N TYR 144.A O no hydrogen 2.968 N/A CYS 148.A SG TYR 144.A O no hydrogen 3.403 N/A ALA 149.A N ALA 145.A O no hydrogen 3.135 N/A PHE 150.A N ILE 146.A O no hydrogen 3.149 N/A PHE 151.A N SER 147.A O no hydrogen 3.018 N/A VAL 152.A N CYS 148.A O no hydrogen 3.022 N/A VAL 153.A N ALA 149.A O no hydrogen 3.194 N/A VAL 154.A N PHE 150.A O no hydrogen 3.094 N/A LEU 155.A N PHE 151.A O no hydrogen 2.979 N/A SER 156.A N VAL 152.A O no hydrogen 2.914 N/A SER 156.A OG VAL 153.A O no hydrogen 2.695 N/A ALA 157.A N VAL 154.A O no hydrogen 3.310 N/A VAL 159.A N LEU 155.A O no hydrogen 3.142 N/A THR 160.A N ALA 157.A O no hydrogen 3.209 N/A THR 160.A OG1 SER 156.A O no hydrogen 2.570 N/A THR 160.A OG1 ASP 161.A OD1 no hydrogen 3.419 N/A TRP 162.A N ALA 157.A O no hydrogen 3.065 N/A TRP 162.A NE1 SER 112.A OG no hydrogen 2.810 N/A ALA 163.A N THR 160.A O no hydrogen 3.251 N/A ALA 164.A N THR 160.A O no hydrogen 3.238 N/A SER 165.A N ASP 161.A O no hydrogen 3.061 N/A SER 165.A OG ASP 161.A O no hydrogen 2.788 N/A ALA 166.A N TRP 162.A O no hydrogen 3.120 N/A SER 167.A N ALA 163.A O no hydrogen 3.116 N/A SER 168.A N ALA 164.A O no hydrogen 3.322 N/A SER 168.A OG SER 165.A O no hydrogen 3.066 N/A ALA 169.A N ALA 166.A O no hydrogen 3.172 N/A THR 171.A N ALA 166.A O no hydrogen 2.868 N/A THR 171.A OG1 LEU 105.A O no hydrogen 2.994 N/A THR 171.A OG1 ALA 166.A O no hydrogen 3.457 N/A PHE 175.A N THR 171.A O no hydrogen 2.996 N/A ASP 176.A N ALA 172.A O no hydrogen 2.978 N/A THR 177.A N GLU 173.A O no hydrogen 3.366 N/A THR 177.A OG1 GLU 173.A O no hydrogen 3.315 N/A LEU 178.A N ILE 174.A O no hydrogen 2.988 N/A ARG 179.A N PHE 175.A O no hydrogen 2.764 N/A ARG 179.A NH1 LEU 158.A O no hydrogen 3.132 N/A VAL 180.A N ASP 176.A O no hydrogen 3.339 N/A LEU 181.A N THR 177.A O no hydrogen 3.369 N/A VAL 182.A N LEU 178.A O no hydrogen 2.907 N/A VAL 183.A N ARG 179.A O no hydrogen 2.972 N/A VAL 184.A N VAL 180.A O no hydrogen 2.997 N/A LEU 185.A N LEU 181.A O no hydrogen 2.918 N/A TRP 186.A N.A VAL 182.A O no hydrogen 2.758 N/A TRP 186.A N.B VAL 182.A O no hydrogen 2.774 N/A LEU 187.A N VAL 183.A O no hydrogen 3.136 N/A GLY 188.A N LEU 185.A O no hydrogen 3.071 N/A TYR 189.A N TRP 186.A O.A no hydrogen 3.096 N/A TYR 189.A N TRP 186.A O.B no hydrogen 3.334 N/A TYR 189.A OH ASP 217.A OD1.A no hydrogen 2.716 N/A TYR 189.A OH ASP 217.A OD1.B no hydrogen 2.672 N/A VAL 192.A N GLY 188.A O no hydrogen 3.068 N/A TRP 193.A N TYR 189.A O no hydrogen 3.096 N/A ALA 194.A N PRO 190.A O no hydrogen 3.030 N/A VAL 195.A N ILE 191.A O no hydrogen 2.843 N/A GLY 196.A N VAL 192.A O no hydrogen 2.697 N/A GLY 199.A N GLY 196.A O no hydrogen 3.161 N/A LEU 200.A N ALA 194.A O no hydrogen 2.690 N/A ALA 201.A N GLY 196.A O no hydrogen 2.774 N/A LEU 202.A N VAL 195.A O no hydrogen 2.884 N/A VAL 203.A N VAL 195.A O no hydrogen 3.195 N/A ALA 208.A N SER 205.A OG no hydrogen 2.964 N/A THR 209.A N SER 205.A O no hydrogen 3.048 N/A THR 209.A OG1 SER 205.A O no hydrogen 2.908 N/A SER 210.A N VAL 206.A O no hydrogen 2.915 N/A SER 210.A OG SER 11.A OG no hydrogen 2.822 N/A SER 210.A OG GLN 84.A OE1 no hydrogen 3.188 N/A TRP 211.A N GLY 207.A O no hydrogen 3.032 N/A TRP 211.A NE1 SER 10.A OG no hydrogen 3.215 N/A ALA 212.A N ALA 208.A O no hydrogen 3.064 N/A TYR 213.A N THR 209.A O no hydrogen 3.351 N/A SER 214.A N SER 210.A O no hydrogen 3.022 N/A SER 214.A OG SER 11.A O no hydrogen 2.779 N/A SER 214.A OG SER 210.A O no hydrogen 3.181 N/A VAL 215.A N TRP 211.A O no hydrogen 2.993 N/A LEU 216.A N ALA 212.A O no hydrogen 3.172 N/A ASP 217.A N.A TYR 213.A O no hydrogen 2.945 N/A ASP 217.A N.B TYR 213.A O no hydrogen 2.942 N/A VAL 218.A N SER 214.A O no hydrogen 3.168 N/A PHE 219.A N VAL 215.A O no hydrogen 3.430 N/A ALA 220.A N LEU 216.A O no hydrogen 2.723 N/A LYS 221.A N.A ASP 217.A O.A no hydrogen 2.879 N/A LYS 221.A N.A ASP 217.A O.B no hydrogen 2.857 N/A LYS 221.A N.B ASP 217.A O.A no hydrogen 2.908 N/A LYS 221.A N.B ASP 217.A O.B no hydrogen 2.886 N/A LYS 221.A NZ.B ASP 217.A OD1.A no hydrogen 3.476 N/A LYS 221.A NZ.B ASP 217.A OD1.B no hydrogen 3.555 N/A TYR 222.A OH SER 52.A OG no hydrogen 2.763 N/A VAL 223.A N VAL 218.A O no hydrogen 2.969 N/A PHE 224.A N PHE 219.A O no hydrogen 3.061 N/A ALA 225.A N LYS 221.A O.A no hydrogen 2.888 N/A ALA 225.A N LYS 221.A O.B no hydrogen 2.849 N/A PHE 226.A N TYR 222.A O no hydrogen 3.060 N/A ILE 227.A N VAL 223.A O no hydrogen 3.037 N/A LEU 228.A N PHE 224.A O no hydrogen 3.072 N/A LEU 229.A N ALA 225.A O no hydrogen 2.827 N/A ARG 230.A N PHE 226.A O no hydrogen 2.810 N/A TRP 231.A N ILE 227.A O no hydrogen 3.224 N/A TRP 231.A NE1 GLU 173.A OE2 no hydrogen 2.969 N/A VAL 232.A N LEU 228.A O no hydrogen 3.082 N/A ALA 233.A N LEU 229.A O no hydrogen 2.912 N/A ASN 234.A N ARG 230.A O no hydrogen 3.289 N/A ASN 234.A N TRP 231.A O no hydrogen 3.005 N/A ASN 235.A N VAL 232.A O no hydrogen 3.081 N/A ASN 235.A ND2 TRP 231.A O no hydrogen 2.714 N/A ARG 237.A NH1 ASN 234.A O no hydrogen 2.718 N/A ARG 237.A NH2 ASN 234.A O no hydrogen 3.223 N/A THR 238.A OG1 ASN 235.A O no hydrogen 3.186 N/A VAL 239.A N ASN 235.A O no hydrogen 3.225 N/A ALA 240.A N GLU 236.A O no hydrogen 2.887 N/A VAL 241.A N ARG 237.A O no hydrogen 3.268 N/A ALA 242.A N VAL 239.A O no hydrogen 3.292 N/A