Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ss9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 30.A O no hydrogen 2.621 N/A ILE 3.A N ARG 32.A O no hydrogen 2.769 N/A VAL 4.A N LEU 100.A O no hydrogen 2.958 N/A PHE 5.A N HIS 34.A O no hydrogen 3.094 N/A ALA 7.A N LEU 36.A O no hydrogen 3.023 N/A TYR 11.A N ASP 8.A O no hydrogen 3.030 N/A ALA 12.A N ASP 9.A O no hydrogen 3.140 N/A LEU 15.A N TYR 11.A O no hydrogen 2.724 N/A CYS 16.A N ALA 12.A O no hydrogen 3.137 N/A VAL 17.A N ALA 13.A O no hydrogen 3.291 N/A ALA 18.A N TYR 14.A O no hydrogen 2.985 N/A ALA 19.A N LEU 15.A O no hydrogen 2.866 N/A LYS 20.A N CYS 16.A O no hydrogen 2.925 N/A LYS 20.A NZ ASN 51.A O no hydrogen 2.678 N/A SER 21.A N VAL 17.A O no hydrogen 3.065 N/A SER 21.A OG ALA 18.A O no hydrogen 2.681 N/A VAL 22.A N ALA 18.A O no hydrogen 3.338 N/A GLU 23.A N ALA 19.A O no hydrogen 3.320 N/A ALA 24.A N LYS 20.A O no hydrogen 2.882 N/A ALA 25.A N SER 21.A O no hydrogen 3.097 N/A ALA 25.A N VAL 22.A O no hydrogen 3.206 N/A HIS 26.A N GLU 23.A O no hydrogen 2.959 N/A HIS 26.A ND1 VAL 22.A O no hydrogen 2.650 N/A THR 29.A N HIS 26.A O no hydrogen 3.244 N/A ARG 32.A N MET 1.A O no hydrogen 2.754 N/A ARG 32.A NE ASP 2.A OD1 no hydrogen 3.268 N/A PHE 33.A N ASN 58.A O no hydrogen 2.724 N/A HIS 34.A N ILE 3.A O no hydrogen 2.822 N/A HIS 34.A NE2 ASP 2.A OD2 no hydrogen 2.548 N/A VAL 35.A N ARG 60.A O no hydrogen 2.998 N/A LEU 36.A N PHE 5.A O no hydrogen 2.775 N/A ASP 37.A N ILE 62.A O no hydrogen 2.691 N/A ALA 38.A N ALA 7.A O no hydrogen 3.015 N/A GLY 39.A N ASP 37.A OD1 no hydrogen 2.642 N/A ILE 40.A N ASP 37.A OD1 no hydrogen 2.537 N/A SER 41.A N ASP 9.A OD1 no hydrogen 3.106 N/A ASN 44.A N SER 41.A OG no hydrogen 3.065 N/A ARG 45.A N SER 41.A O no hydrogen 2.871 N/A ALA 46.A N GLU 42.A O no hydrogen 3.050 N/A ALA 47.A N ALA 43.A O no hydrogen 3.009 N/A VAL 48.A N ASN 44.A O no hydrogen 3.152 N/A ALA 49.A N ARG 45.A O no hydrogen 3.195 N/A ALA 50.A N ALA 46.A O no hydrogen 3.058 N/A ASN 51.A N ALA 47.A O no hydrogen 3.259 N/A ASN 51.A N VAL 48.A O no hydrogen 2.926 N/A ASN 51.A ND2 THR 271.A O no hydrogen 2.696 N/A LEU 52.A N ALA 49.A O no hydrogen 3.262 N/A ARG 53.A N GLU 23.A OE2 no hydrogen 2.924 N/A ARG 53.A NH1 HIS 26.A O no hydrogen 3.195 N/A ARG 53.A NH2 THR 29.A O no hydrogen 2.803 N/A GLY 56.A N ARG 53.A O no hydrogen 3.026 N/A GLY 57.A N ARG 53.A O no hydrogen 3.240 N/A ASN 58.A ND2 GLU 30.A OE1 no hydrogen 3.077 N/A ARG 60.A N PHE 33.A O no hydrogen 2.982 N/A ILE 62.A N VAL 35.A O no hydrogen 2.565 N/A VAL 64.A N ASP 37.A O no hydrogen 2.966 N/A GLU 67.A N ASN 65.A OD1 no hydrogen 2.626 N/A ASP 68.A N ASN 65.A O no hydrogen 2.961 N/A PHE 69.A N PRO 66.A O no hydrogen 3.143 N/A ALA 70.A N GLU 67.A O no hydrogen 3.251 N/A PHE 72.A N PHE 69.A O no hydrogen 2.732 N/A ASN 75.A ND2 GLN 185.A O no hydrogen 3.249 N/A ILE 76.A N GLN 187.A OE1 no hydrogen 3.111 N/A ILE 79.A N ILE 76.A O no hydrogen 3.144 N/A SER 80.A OG ASP 8.A OD2 no hydrogen 2.854 N/A THR 82.A OG1 ASP 8.A OD2 no hydrogen 3.141 N/A THR 83.A N SER 80.A O no hydrogen 2.903 N/A THR 83.A OG1 ASP 188.A OD1 no hydrogen 2.942 N/A TYR 84.A N ILE 81.A O no hydrogen 3.101 N/A TYR 84.A OH PRO 73.A O no hydrogen 2.540 N/A ALA 85.A N THR 82.A O no hydrogen 3.154 N/A ARG 86.A NE THR 83.A O no hydrogen 2.789 N/A ARG 86.A NH2 THR 83.A O no hydrogen 3.351 N/A LEU 87.A N TYR 84.A O no hydrogen 3.195 N/A LYS 88.A N ALA 85.A O no hydrogen 2.918 N/A LYS 88.A NZ ASP 68.A OD1 no hydrogen 2.645 N/A LEU 89.A N ARG 86.A O no hydrogen 3.136 N/A GLU 91.A N LYS 88.A O no hydrogen 2.912 N/A TYR 92.A N LYS 88.A O no hydrogen 3.036 N/A TYR 92.A N LEU 89.A O no hydrogen 3.063 N/A ILE 93.A N LEU 89.A O no hydrogen 3.174 N/A CYS 96.A SG ASP 95.A OD2 no hydrogen 3.562 N/A LYS 98.A NZ THR 118.A O no hydrogen 3.370 N/A VAL 99.A N ILE 159.A O no hydrogen 3.317 N/A LEU 100.A N ASP 2.A O no hydrogen 3.004 N/A TYR 101.A N LEU 157.A O no hydrogen 2.533 N/A TYR 101.A OH ASP 103.A OD2 no hydrogen 3.197 N/A LEU 102.A N VAL 4.A O no hydrogen 2.878 N/A ASP 103.A N GLY 155.A O no hydrogen 2.754 N/A LEU 107.A N SER 241.A O no hydrogen 2.786 N/A VAL 108.A N SER 21.A OG no hydrogen 3.408 N/A ARG 109.A N ALA 239.A O no hydrogen 2.669 N/A ASP 110.A N ALA 239.A O no hydrogen 3.157 N/A LEU 112.A N HIS 26.A NE2 no hydrogen 2.784 N/A THR 113.A N SER 111.A OG no hydrogen 3.236 N/A THR 113.A OG1 SER 111.A OG no hydrogen 3.276 N/A TRP 116.A N LEU 112.A O no hydrogen 2.798 N/A ASP 117.A N THR 113.A O no hydrogen 2.584 N/A THR 118.A N LEU 115.A O no hydrogen 3.128 N/A THR 118.A OG1 PRO 114.A O no hydrogen 3.560 N/A THR 118.A OG1 LEU 115.A O no hydrogen 2.731 N/A ASN 123.A N LEU 120.A O no hydrogen 2.731 N/A TRP 124.A N GLY 199.A O no hydrogen 3.108 N/A GLY 126.A N LEU 158.A O no hydrogen 2.779 N/A ALA 127.A N CYS 201.A O no hydrogen 2.913 N/A CYS 128.A SG ALA 203.A O no hydrogen 3.666 N/A CYS 128.A SG ASN 204.A O no hydrogen 2.935 N/A ASP 130.A N TYR 151.A O no hydrogen 2.955 N/A VAL 133.A N ASP 130.A OD1 no hydrogen 3.121 N/A GLU 134.A N ASP 130.A O no hydrogen 2.964 N/A ARG 135.A N LEU 131.A O no hydrogen 2.963 N/A GLN 136.A N VAL 133.A O no hydrogen 2.969 N/A TYR 139.A N GLN 136.A O no hydrogen 3.035 N/A TYR 139.A OH ASP 190.A OD2 no hydrogen 2.640 N/A LYS 140.A NZ GLU 134.A OE1 no hydrogen 2.670 N/A LYS 140.A NZ GLU 134.A OE2 no hydrogen 3.558 N/A LYS 140.A NZ ALA 146.A O no hydrogen 3.392 N/A LYS 140.A NZ ASP 147.A O no hydrogen 3.016 N/A LYS 140.A NZ GLU 149.A O no hydrogen 2.631 N/A GLN 141.A N GLN 141.A OE1 no hydrogen 2.846 N/A LYS 142.A N TYR 139.A O no hydrogen 2.648 N/A GLY 144.A N GLN 141.A O no hydrogen 3.008 N/A MET 145.A N LYS 140.A O no hydrogen 3.374 N/A ALA 146.A N GLU 149.A OE1 no hydrogen 2.861 N/A GLU 149.A N ALA 146.A O no hydrogen 2.865 N/A TYR 150.A N TYR 202.A OH no hydrogen 2.952 N/A TYR 150.A OH ASP 225.A OD1 no hydrogen 2.631 N/A TYR 151.A N GLU 134.A OE2 no hydrogen 3.143 N/A TYR 151.A OH ASP 190.A OD2 no hydrogen 2.693 N/A PHE 152.A N ASN 193.A OD1 no hydrogen 2.951 N/A ASN 153.A N CYS 128.A O no hydrogen 2.975 N/A ASN 153.A ND2 ASP 130.A OD2 no hydrogen 2.825 N/A ALA 154.A N GLU 189.A OE1 no hydrogen 3.285 N/A GLY 155.A N ASN 153.A OD1 no hydrogen 2.739 N/A LEU 157.A N TYR 101.A O no hydrogen 2.684 N/A LEU 158.A N GLY 126.A O no hydrogen 2.968 N/A ILE 159.A N VAL 99.A O no hydrogen 2.924 N/A ASN 160.A N TRP 124.A O no hydrogen 3.203 N/A ASN 160.A ND2 ASN 123.A O no hydrogen 2.988 N/A LYS 162.A N ASP 97.A O no hydrogen 3.386 N/A LYS 162.A NZ ASP 97.A OD1 no hydrogen 3.075 N/A LYS 163.A N ASN 160.A O no hydrogen 3.162 N/A LYS 163.A N ASN 160.A OD1 no hydrogen 3.235 N/A LYS 163.A NZ ASP 122.A O no hydrogen 3.054 N/A LYS 163.A NZ ASP 122.A OD2 no hydrogen 3.051 N/A TRP 164.A N ASN 160.A O no hydrogen 3.155 N/A TRP 164.A NE1 TRP 124.A O no hydrogen 3.052 N/A ARG 165.A N LEU 161.A O no hydrogen 2.751 N/A ARG 165.A NH1 CYS 96.A O no hydrogen 3.086 N/A ARG 165.A NH1 ASP 97.A OD2 no hydrogen 2.892 N/A ARG 165.A NH2 CYS 96.A O no hydrogen 2.634 N/A ARG 166.A N LYS 163.A O no hydrogen 3.106 N/A HIS 167.A N TRP 164.A O no hydrogen 3.042 N/A LYS 171.A N ASP 168.A O no hydrogen 3.015 N/A LYS 171.A N ASP 168.A OD2 no hydrogen 3.295 N/A MET 172.A N ASP 168.A O no hydrogen 3.119 N/A SER 173.A N ILE 169.A O no hydrogen 2.931 N/A SER 173.A OG ILE 169.A O no hydrogen 2.913 N/A CYS 174.A N PHE 170.A O no hydrogen 3.046 N/A CYS 174.A SG PHE 170.A O no hydrogen 3.186 N/A GLU 175.A N LYS 171.A O no hydrogen 2.865 N/A TRP 176.A N MET 172.A O no hydrogen 2.912 N/A VAL 177.A N SER 173.A O no hydrogen 2.777 N/A GLU 178.A N GLU 175.A O no hydrogen 3.014 N/A GLN 179.A N GLU 175.A O no hydrogen 3.099 N/A GLN 179.A N TRP 176.A O no hydrogen 2.695 N/A TYR 180.A N TRP 176.A O no hydrogen 2.827 N/A LYS 181.A NZ GLY 71.A O no hydrogen 3.424 N/A MET 184.A N TYR 180.A O no hydrogen 3.154 N/A GLN 185.A N TYR 139.A OH no hydrogen 3.124 N/A GLN 185.A N ASP 190.A OD1 no hydrogen 2.772 N/A GLN 185.A NE2 VAL 183.A O no hydrogen 3.500 N/A TYR 186.A N ASP 190.A OD1 no hydrogen 2.669 N/A TYR 186.A OH GLN 136.A OE1 no hydrogen 2.786 N/A GLU 189.A N TYR 186.A O no hydrogen 3.161 N/A ASP 190.A N GLN 187.A O no hydrogen 2.505 N/A ILE 191.A N GLN 187.A O no hydrogen 3.135 N/A LEU 192.A N ASP 188.A O no hydrogen 3.136 N/A ASN 193.A N GLU 189.A O no hydrogen 3.308 N/A ASN 193.A ND2 PHE 152.A O no hydrogen 3.011 N/A ASN 193.A ND2 GLU 189.A O no hydrogen 2.616 N/A GLY 194.A N ASP 190.A O no hydrogen 2.891 N/A LEU 195.A N ILE 191.A O no hydrogen 2.985 N/A PHE 196.A N LEU 192.A O no hydrogen 3.023 N/A LYS 197.A NZ GLY 194.A O no hydrogen 2.619 N/A GLY 199.A N PHE 196.A O no hydrogen 2.854 N/A CYS 201.A N LEU 125.A O no hydrogen 2.903 N/A ALA 203.A N ALA 127.A O no hydrogen 2.993 N/A SER 205.A N ARG 231.A O no hydrogen 2.883 N/A SER 205.A OG ASN 213.A OD1 no hydrogen 3.475 N/A SER 205.A OG ARG 231.A O no hydrogen 2.918 N/A ARG 206.A NE VAL 235.A O no hydrogen 2.678 N/A ARG 206.A NE PRO 237.A O no hydrogen 2.981 N/A ARG 206.A NH2 ASP 110.A OD2 no hydrogen 3.244 N/A ARG 206.A NH2 PRO 237.A O no hydrogen 2.552 N/A PHE 207.A N ASN 204.A O no hydrogen 3.261 N/A ASN 208.A N SER 205.A O no hydrogen 3.284 N/A ASN 208.A ND2 ASN 153.A OD1 no hydrogen 3.264 N/A PHE 209.A N VAL 240.A O no hydrogen 2.613 N/A TYR 214.A N MET 210.A O no hydrogen 2.852 N/A ALA 215.A N PRO 211.A O no hydrogen 2.750 N/A PHE 216.A N THR 212.A O no hydrogen 3.128 N/A MET 217.A N ASN 213.A O no hydrogen 3.328 N/A MET 217.A N TYR 214.A O no hydrogen 2.588 N/A ALA 218.A N ALA 215.A O no hydrogen 3.069 N/A SER 221.A OG HIS 223.A O no hydrogen 2.646 N/A LEU 227.A N ASP 225.A OD2 no hydrogen 3.109 N/A ARG 229.A N ASP 225.A O no hydrogen 3.187 N/A ASP 230.A N PRO 226.A O no hydrogen 2.881 N/A ARG 231.A N LEU 227.A O no hydrogen 2.851 N/A ARG 231.A NE TYR 202.A O no hydrogen 2.880 N/A THR 232.A N TYR 228.A O no hydrogen 2.762 N/A THR 232.A OG1 TYR 228.A O no hydrogen 3.030 N/A ALA 239.A N ARG 206.A O no hydrogen 2.968 N/A VAL 240.A N ARG 206.A O no hydrogen 2.939 N/A SER 241.A N LEU 107.A O no hydrogen 2.888 N/A HIS 242.A N PHE 209.A O no hydrogen 2.663 N/A TYR 243.A N ASP 105.A O no hydrogen 3.082 N/A TYR 243.A OH TRP 257.A O no hydrogen 2.499 N/A CYS 244.A N HIS 242.A O no hydrogen 2.732 N/A LYS 248.A NZ HIS 78.A NE2 no hydrogen 3.559 N/A LYS 248.A NZ ASP 105.A OD2 no hydrogen 2.612 N/A LYS 248.A NZ TYR 243.A O no hydrogen 3.353 N/A LYS 248.A NZ GLY 245.A O no hydrogen 2.832 N/A HIS 251.A N LYS 248.A O no hydrogen 2.773 N/A CYS 254.A SG LYS 248.A O no hydrogen 3.597 N/A ALA 259.A N ALA 256.A O no hydrogen 3.267 N/A GLU 260.A N GLU 260.A OE2 no hydrogen 2.672 N/A ARG 261.A N GLY 258.A O no hydrogen 3.295 N/A ARG 261.A NH1 VAL 108.A O no hydrogen 3.169 N/A ARG 261.A NH2 GLU 264.A OE1 no hydrogen 3.217 N/A PHE 262.A N ALA 259.A O no hydrogen 3.392 N/A THR 263.A OG1 GLU 260.A O no hydrogen 2.554 N/A GLU 264.A N GLU 260.A O no hydrogen 2.969 N/A LEU 265.A N ARG 261.A O no hydrogen 2.966 N/A LEU 265.A N PHE 262.A O no hydrogen 3.159 N/A ALA 266.A N PHE 262.A O no hydrogen 2.728 N/A GLY 267.A N THR 263.A O no hydrogen 2.662 N/A SER 268.A N LEU 265.A O no hydrogen 3.212 N/A SER 268.A OG GLU 264.A O no hydrogen 3.421 N/A SER 268.A OG LEU 265.A O no hydrogen 2.636 N/A LEU 269.A N ALA 266.A O no hydrogen 3.290 N/A THR 271.A N ASN 51.A OD1 no hydrogen 2.543 N/A TRP 276.A N PRO 273.A O no hydrogen 2.705 N/A TRP 276.A NE1 ASN 44.A OD1 no hydrogen 3.087 N/A ARG 277.A N GLU 274.A O no hydrogen 2.993 N/A LYS 279.A NZ ASN 10.A O no hydrogen 3.353 N/A LEU 280.A N TRP 276.A O no hydrogen 3.181 N/A