Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cxa_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A NE1 ASP 135.A OD2 no hydrogen 3.054 N/A TRP 7.A N LEU 180.A O no hydrogen 2.922 N/A ASP 11.A N ASP 8.A O no hydrogen 2.906 N/A LEU 12.A N ASP 8.A O no hydrogen 3.243 N/A LEU 12.A N LYS 9.A O no hydrogen 3.284 N/A HIS 14.A N ASP 11.A O no hydrogen 3.158 N/A HIS 14.A ND1 ALA 13.A O no hydrogen 2.764 N/A THR 15.A OG1 GLU 27.A OE1 no hydrogen 2.722 N/A THR 15.A OG1 GLU 27.A OE2 no hydrogen 2.727 N/A GLN 18.A N THR 15.A OG1 no hydrogen 3.299 N/A LEU 19.A N THR 15.A O no hydrogen 2.932 N/A GLU 20.A N PRO 16.A O no hydrogen 2.957 N/A GLY 21.A N GLN 18.A O no hydrogen 2.693 N/A LEU 22.A N GLN 18.A O no hydrogen 3.353 N/A ALA 25.A N ASP 23.A OD1 no hydrogen 3.400 N/A THR 26.A N ASP 23.A O no hydrogen 2.986 N/A THR 26.A OG1 ASP 23.A O no hydrogen 2.536 N/A GLU 27.A N ASP 23.A O no hydrogen 3.108 N/A ALA 28.A N PRO 24.A O no hydrogen 2.703 N/A ARG 29.A N ALA 25.A O no hydrogen 3.001 N/A TYR 30.A N THR 26.A O no hydrogen 2.690 N/A ARG 31.A N GLU 27.A O no hydrogen 2.873 N/A ARG 31.A NE GLU 27.A OE2 no hydrogen 3.490 N/A ARG 31.A NH1 HIS 60.A ND1 no hydrogen 3.183 N/A ARG 31.A NH1 HIS 60.A O no hydrogen 3.283 N/A ARG 31.A NH2 GLU 27.A OE2 no hydrogen 3.407 N/A ARG 32.A N ALA 28.A O no hydrogen 3.149 N/A GLU 33.A N ARG 29.A O no hydrogen 2.799 N/A GLY 34.A N TYR 30.A O no hydrogen 2.725 N/A ALA 35.A N ARG 31.A O no hydrogen 2.752 N/A ARG 36.A N ARG 32.A O no hydrogen 2.928 N/A PHE 37.A N GLU 33.A O no hydrogen 2.899 N/A ILE 38.A N GLY 34.A O no hydrogen 3.273 N/A PHE 39.A N ALA 35.A O no hydrogen 3.235 N/A ASP 40.A N ARG 36.A O no hydrogen 3.288 N/A ASP 40.A N PHE 37.A O no hydrogen 3.304 N/A VAL 41.A N PHE 37.A O no hydrogen 3.099 N/A GLY 42.A N ILE 38.A O no hydrogen 2.980 N/A THR 43.A N PHE 39.A O no hydrogen 3.156 N/A THR 43.A OG1 PHE 39.A O no hydrogen 2.856 N/A THR 43.A OG1 ASP 40.A O no hydrogen 3.296 N/A ARG 44.A N ASP 40.A O no hydrogen 3.043 N/A LEU 45.A N VAL 41.A O no hydrogen 3.246 N/A LEU 47.A N GLY 42.A O no hydrogen 2.977 N/A ASP 50.A N HIS 48.A ND1 no hydrogen 2.988 N/A THR 51.A OG1 THR 90.A OG1 no hydrogen 2.729 N/A LEU 52.A N HIS 48.A O no hydrogen 3.286 N/A ALA 53.A N TYR 49.A O no hydrogen 3.126 N/A THR 54.A N ASP 50.A O no hydrogen 2.881 N/A THR 54.A OG1 ASP 50.A O no hydrogen 2.922 N/A THR 54.A OG1 GLU 88.A OE2 no hydrogen 2.939 N/A THR 54.A OG1 HIS 140.A NE2 no hydrogen 2.857 N/A GLY 55.A N THR 51.A O no hydrogen 3.214 N/A ILE 56.A N LEU 52.A O no hydrogen 3.189 N/A ILE 57.A N ALA 53.A O no hydrogen 2.860 N/A TYR 58.A N THR 54.A O no hydrogen 3.058 N/A TYR 58.A OH LEU 136.A O no hydrogen 2.711 N/A PHE 59.A N GLY 55.A O no hydrogen 3.041 N/A HIS 60.A N ILE 56.A O no hydrogen 2.860 N/A HIS 60.A NE2 LEU 174.A O no hydrogen 2.582 N/A ARG 61.A N ILE 57.A O no hydrogen 2.958 N/A PHE 62.A N TYR 58.A O no hydrogen 2.635 N/A TYR 63.A N PHE 59.A O no hydrogen 3.253 N/A TYR 63.A OH PHE 71.A O no hydrogen 2.761 N/A TYR 63.A OH THR 76.A OG1 no hydrogen 2.836 N/A MET 64.A N ARG 61.A O no hydrogen 3.203 N/A PHE 65.A N PHE 62.A O no hydrogen 3.185 N/A SER 67.A OG GLU 20.A OE1 no hydrogen 2.945 N/A PHE 68.A N SER 17.A OG no hydrogen 3.243 N/A LYS 69.A N SER 67.A OG no hydrogen 3.270 N/A GLN 70.A NE2 GLU 20.A OE2 no hydrogen 3.179 N/A PHE 71.A N SER 67.A O no hydrogen 3.246 N/A TYR 74.A N GLN 112.A OE1 no hydrogen 2.965 N/A VAL 75.A N PRO 72.A O no hydrogen 3.314 N/A THR 76.A N PRO 72.A O no hydrogen 3.370 N/A THR 76.A OG1 TYR 63.A OH no hydrogen 2.836 N/A THR 76.A OG1 PRO 72.A O no hydrogen 3.393 N/A GLY 77.A N ARG 73.A O no hydrogen 3.180 N/A ALA 78.A N TYR 74.A O no hydrogen 3.254 N/A CYS 79.A N VAL 75.A O no hydrogen 2.845 N/A CYS 79.A SG VAL 121.A O no hydrogen 3.664 N/A CYS 80.A N THR 76.A O no hydrogen 2.728 N/A CYS 80.A SG THR 76.A O no hydrogen 3.221 N/A LEU 81.A N GLY 77.A O no hydrogen 3.089 N/A PHE 82.A N ALA 78.A O no hydrogen 2.948 N/A LEU 83.A N CYS 79.A O no hydrogen 2.977 N/A ALA 84.A N CYS 80.A O no hydrogen 2.863 N/A GLY 85.A N LEU 81.A O no hydrogen 2.876 N/A LYS 86.A N PHE 82.A O no hydrogen 3.445 N/A LYS 86.A NZ GLU 125.A OE1 no hydrogen 3.431 N/A LYS 86.A NZ GLU 125.A OE2 no hydrogen 2.376 N/A VAL 87.A N LEU 83.A O no hydrogen 2.855 N/A GLU 88.A N ALA 84.A O no hydrogen 2.797 N/A THR 90.A N GLY 85.A O no hydrogen 2.844 N/A THR 90.A OG1 THR 51.A OG1 no hydrogen 2.729 N/A THR 90.A OG1 THR 90.A O no hydrogen 2.439 N/A ILE 98.A N CYS 94.A O no hydrogen 3.223 N/A LYS 99.A N LYS 95.A O no hydrogen 2.692 N/A THR 100.A N ASP 96.A O no hydrogen 3.083 N/A THR 100.A N ILE 97.A O no hydrogen 3.233 N/A THR 100.A OG1 ASP 96.A O no hydrogen 2.668 N/A ALA 101.A N ILE 97.A O no hydrogen 2.861 N/A ARG 102.A N ILE 98.A O no hydrogen 3.249 N/A LEU 104.A N THR 100.A O no hydrogen 3.242 N/A LEU 105.A N ARG 102.A O no hydrogen 3.306 N/A VAL 108.A N ASN 106.A OD1 no hydrogen 3.236 N/A PHE 110.A N ASN 106.A O no hydrogen 2.731 N/A GLY 111.A N VAL 108.A O no hydrogen 3.082 N/A PHE 113.A N PHE 110.A O no hydrogen 2.961 N/A GLY 114.A N GLY 111.A O no hydrogen 3.136 N/A GLU 120.A N ASP 116.A O no hydrogen 3.188 N/A VAL 121.A N PRO 117.A O no hydrogen 2.944 N/A VAL 121.A N LYS 118.A O no hydrogen 3.083 N/A MET 122.A N LYS 118.A O no hydrogen 2.808 N/A VAL 123.A N GLU 119.A O no hydrogen 2.931 N/A GLU 125.A N MET 122.A O no hydrogen 3.207 N/A ILE 127.A N LEU 124.A O no hydrogen 2.864 N/A LEU 128.A N LEU 124.A O no hydrogen 2.925 N/A LEU 129.A N GLU 125.A O no hydrogen 2.997 N/A GLN 130.A N ARG 126.A O no hydrogen 3.390 N/A THR 131.A N ILE 127.A O no hydrogen 2.811 N/A THR 131.A OG1 HIS 66.A NE2 no hydrogen 3.345 N/A THR 131.A OG1 ILE 127.A O no hydrogen 2.446 N/A ILE 132.A N LEU 128.A O no hydrogen 2.980 N/A LYS 133.A N GLN 130.A O no hydrogen 3.028 N/A PHE 134.A N LEU 129.A O no hydrogen 2.914 N/A ASP 135.A N ILE 132.A O no hydrogen 2.980 N/A HIS 140.A NE2 THR 54.A OG1 no hydrogen 2.857 N/A TYR 142.A OH ASN 171.A OD1 no hydrogen 2.268 N/A LEU 145.A N PRO 141.A O no hydrogen 2.777 N/A LEU 146.A N TYR 142.A O no hydrogen 3.325 N/A LYS 147.A N GLN 143.A O no hydrogen 3.464 N/A TYR 148.A N PHE 144.A O no hydrogen 3.067 N/A ALA 149.A N LEU 145.A O no hydrogen 3.328 N/A LYS 150.A N LEU 146.A O no hydrogen 3.064 N/A GLN 151.A N TYR 148.A O no hydrogen 3.153 N/A LEU 152.A N ALA 149.A O no hydrogen 3.346 N/A LYS 153.A N TRP 206.A O no hydrogen 2.784 N/A ASN 157.A N ASP 155.A OD1 no hydrogen 3.163 N/A ILE 159.A N ASP 155.A O no hydrogen 3.278 N/A GLN 160.A N LYS 156.A O no hydrogen 2.849 N/A LEU 162.A N LYS 158.A O no hydrogen 2.867 N/A VAL 163.A N ILE 159.A O no hydrogen 2.968 N/A MET 165.A N LYS 161.A O no hydrogen 3.192 N/A ALA 166.A N LEU 162.A O no hydrogen 2.967 N/A TRP 167.A N VAL 163.A O no hydrogen 2.994 N/A THR 168.A OG1 GLN 164.A O no hydrogen 3.050 N/A PHE 169.A N MET 165.A O no hydrogen 3.099 N/A VAL 170.A N ALA 166.A O no hydrogen 3.275 N/A VAL 170.A N TRP 167.A O no hydrogen 2.966 N/A ASN 171.A N TRP 167.A O no hydrogen 3.247 N/A ASP 172.A N THR 168.A O no hydrogen 3.248 N/A SER 173.A N PHE 169.A O no hydrogen 2.830 N/A SER 173.A OG VAL 170.A O no hydrogen 2.855 N/A LEU 174.A N VAL 170.A O no hydrogen 3.203 N/A CYS 175.A N ASP 172.A O no hydrogen 2.790 N/A THR 176.A N SER 173.A O no hydrogen 2.892 N/A THR 176.A OG1 SER 173.A O no hydrogen 2.761 N/A LEU 178.A N THR 176.A OG1 no hydrogen 3.377 N/A LEU 180.A N THR 177.A O no hydrogen 3.320 N/A GLN 181.A N LEU 178.A O no hydrogen 3.011 N/A GLN 181.A NE2 THR 177.A O no hydrogen 3.036 N/A GLN 181.A NE2 GLN 234.A OE1 no hydrogen 3.242 N/A TRP 182.A N LEU 178.A O no hydrogen 3.104 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.672 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.637 N/A ILE 186.A N GLU 183.A O no hydrogen 2.941 N/A ILE 187.A N GLU 183.A O no hydrogen 3.241 N/A ALA 188.A N PRO 184.A O no hydrogen 2.995 N/A VAL 189.A N GLU 185.A O no hydrogen 3.208 N/A ALA 190.A N ILE 186.A O no hydrogen 2.946 N/A VAL 191.A N ILE 187.A O no hydrogen 3.112 N/A MET 192.A N VAL 189.A O no hydrogen 3.072 N/A TYR 193.A N VAL 189.A O no hydrogen 2.990 N/A TYR 193.A OH GLU 229.A OE2 no hydrogen 3.256 N/A LEU 194.A N ALA 190.A O no hydrogen 2.991 N/A ALA 195.A N VAL 191.A O no hydrogen 2.994 N/A ARG 197.A N TYR 193.A O no hydrogen 3.040 N/A ARG 197.A N LEU 194.A O no hydrogen 3.133 N/A LEU 198.A N LEU 194.A O no hydrogen 3.077 N/A CYS 199.A SG ALA 195.A O no hydrogen 3.179 N/A LYS 200.A N ARG 197.A O no hydrogen 2.906 N/A GLN 204.A N GLN 204.A OE1 no hydrogen 2.405 N/A GLN 204.A NE2 GLU 202.A OE1 no hydrogen 3.214 N/A TRP 206.A N ILE 203.A O no hydrogen 3.110 N/A THR 207.A N GLN 204.A O no hydrogen 2.735 N/A THR 207.A OG1 GLN 204.A O no hydrogen 2.367 N/A THR 207.A OG1 LYS 209.A O no hydrogen 3.099 N/A TYR 212.A OH GLU 217.A OE2 no hydrogen 3.289 N/A ARG 214.A NE GLU 217.A OE2 no hydrogen 2.618 N/A ARG 214.A NH2 TYR 212.A OH no hydrogen 2.811 N/A TRP 215.A N ARG 213.A O no hydrogen 2.920 N/A TRP 216.A NE1 VAL 223.A O no hydrogen 2.779 N/A GLU 217.A N ARG 214.A O no hydrogen 3.452 N/A PHE 219.A N TRP 216.A O no hydrogen 3.022 N/A VAL 220.A N TRP 216.A O no hydrogen 3.221 N/A VAL 227.A N PRO 224.A O no hydrogen 3.227 N/A GLU 229.A N VAL 225.A O no hydrogen 3.137 N/A ASP 230.A N ASP 226.A O no hydrogen 2.890 N/A ILE 231.A N VAL 227.A O no hydrogen 3.127 N/A CYS 232.A N LEU 228.A O no hydrogen 2.786 N/A CYS 232.A SG ALA 190.A O no hydrogen 3.751 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.096 N/A HIS 233.A N GLU 229.A O no hydrogen 2.692 N/A GLN 234.A N ASP 230.A O no hydrogen 3.250 N/A GLN 234.A NE2 GLN 181.A OE1 no hydrogen 2.760 N/A GLN 234.A NE2 ASP 230.A OD1 no hydrogen 3.250 N/A ILE 235.A N ILE 231.A O no hydrogen 3.119 N/A ILE 235.A N CYS 232.A O no hydrogen 3.249 N/A LEU 236.A N CYS 232.A O no hydrogen 2.926 N/A ASP 237.A N HIS 233.A O no hydrogen 2.919 N/A LEU 238.A N ILE 235.A O no hydrogen 3.169 N/A SER 240.A N ASP 237.A O no hydrogen 3.380 N/A SER 240.A OG ASP 237.A O no hydrogen 2.913 N/A