Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ls9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N LEU 119.A O no hydrogen 3.298 N/A ARG 3.A NH2 ILE 126.A O no hydrogen 2.775 N/A VAL 4.A N ASN 124.A O no hydrogen 2.821 N/A ARG 7.A NH1 ASP 11.A OD1 no hydrogen 2.872 N/A GLY 8.A N ASP 5.A OD1 no hydrogen 3.107 N/A ALA 9.A N ASP 5.A O no hydrogen 2.945 N/A ALA 10.A N ALA 6.A O no hydrogen 2.972 N/A ASP 11.A N ARG 7.A O no hydrogen 2.927 N/A LEU 12.A N GLY 8.A O no hydrogen 3.317 N/A LEU 13.A N ALA 9.A O no hydrogen 3.389 N/A THR 14.A N ALA 10.A O no hydrogen 3.266 N/A THR 14.A OG1 ALA 10.A O no hydrogen 3.545 N/A ALA 15.A N ASP 11.A O no hydrogen 3.212 N/A ALA 16.A N LEU 13.A O no hydrogen 3.253 N/A SER 17.A N ASP 82.A OD2 no hydrogen 2.795 N/A SER 17.A OG ASP 82.A OD2 no hydrogen 3.201 N/A VAL 19.A N HIS 48.A O no hydrogen 2.808 N/A SER 20.A N LEU 83.A O no hydrogen 2.950 N/A VAL 21.A N GLU 50.A O no hydrogen 2.798 N/A ILE 22.A N VAL 85.A O no hydrogen 2.763 N/A CYS 23.A N SER 52.A O no hydrogen 2.862 N/A CYS 23.A SG THR 31.A O no hydrogen 3.321 N/A HIS 24.A N THR 31.A OG1 no hydrogen 3.042 N/A HIS 24.A ND1.A VAL 25.A O no hydrogen 2.984 N/A HIS 24.A NE2.A ASP 28.A OD2 no hydrogen 3.140 N/A VAL 25.A N ARG 94.A O no hydrogen 3.159 N/A TYR 26.A N THR 55.A O no hydrogen 2.583 N/A THR 31.A N ASP 28.A OD1 no hydrogen 2.979 N/A THR 31.A OG1 VAL 87.A O no hydrogen 2.645 N/A ILE 32.A N ASP 28.A O no hydrogen 3.424 N/A GLY 33.A N ALA 29.A O no hydrogen 2.902 N/A ALA 34.A N ASP 30.A O no hydrogen 2.962 N/A GLY 35.A N THR 31.A O no hydrogen 2.985 N/A LEU 36.A N ILE 32.A O no hydrogen 2.842 N/A ALA 37.A N GLY 33.A O no hydrogen 2.901 N/A LEU 38.A N ALA 34.A O no hydrogen 3.128 N/A ALA 39.A N GLY 35.A O no hydrogen 3.063 N/A GLN 40.A N LEU 36.A O no hydrogen 3.012 N/A GLN 40.A NE2 LEU 36.A O no hydrogen 3.118 N/A LEU 42.A N LEU 38.A O no hydrogen 2.909 N/A ALA 43.A N ALA 39.A O no hydrogen 2.816 N/A ALA 44.A N GLN 40.A O no hydrogen 3.041 N/A SER 45.A N LEU 42.A O no hydrogen 3.288 N/A SER 45.A OG VAL 41.A O no hydrogen 2.731 N/A GLY 46.A N ALA 43.A O no hydrogen 3.153 N/A LYS 47.A N LEU 42.A O no hydrogen 3.328 N/A LYS 47.A NZ LEU 13.A O no hydrogen 3.425 N/A LYS 47.A NZ THR 14.A O no hydrogen 3.081 N/A LYS 47.A NZ ALA 16.A O no hydrogen 2.876 N/A HIS 48.A N SER 17.A O no hydrogen 3.082 N/A GLU 50.A N VAL 19.A O no hydrogen 3.364 N/A VAL 51.A N LEU 71.A O no hydrogen 3.136 N/A SER 52.A N VAL 21.A O no hydrogen 2.990 N/A SER 52.A OG PHE 53.A O no hydrogen 3.336 N/A SER 52.A OG VAL 73.A O no hydrogen 2.871 N/A SER 62.A OG THR 193.A O no hydrogen 2.741 N/A LEU 63.A N PRO 60.A O no hydrogen 3.150 N/A GLN 64.A N GLU 61.A O no hydrogen 2.820 N/A GLN 64.A NE2 LEU 59.A O no hydrogen 2.744 N/A SER 65.A OG SER 62.A O no hydrogen 2.691 N/A LEU 66.A N LEU 63.A O no hydrogen 3.399 N/A LEU 71.A N GLY 68.A O no hydrogen 2.905 N/A LEU 72.A N GLY 69.A O no hydrogen 3.116 N/A VAL 73.A N VAL 51.A O no hydrogen 2.828 N/A ALA 77.A N ALA 74.A O no hydrogen 2.925 N/A ARG 78.A NE ASP 80.A OD1 no hydrogen 2.960 N/A ARG 78.A NH2 ASP 80.A OD1 no hydrogen 3.042 N/A ASP 82.A N SER 18.A OG no hydrogen 2.916 N/A LEU 83.A N SER 18.A O no hydrogen 3.189 N/A VAL 84.A N GLU 107.A O no hydrogen 3.257 N/A VAL 85.A N SER 20.A O no hydrogen 2.856 N/A THR 86.A N LEU 109.A O no hydrogen 2.931 N/A VAL 87.A N ILE 22.A O no hydrogen 3.137 N/A ASP 88.A N ILE 111.A O no hydrogen 3.026 N/A SER 91.A OG ASN 93.A OD1 no hydrogen 2.734 N/A ARG 94.A N SER 91.A O no hydrogen 3.016 N/A LEU 95.A N ILE 92.A O no hydrogen 3.354 N/A GLY 96.A N ASN 93.A O no hydrogen 3.077 N/A LEU 98.A N LEU 95.A O no hydrogen 3.307 N/A SER 99.A N GLY 96.A O no hydrogen 3.033 N/A SER 99.A OG GLY 96.A O no hydrogen 3.401 N/A LEU 101.A N LEU 98.A O no hydrogen 3.214 N/A ALA 102.A N SER 99.A O no hydrogen 3.114 N/A GLY 103.A N GLY 100.A O no hydrogen 3.041 N/A ARG 106.A NH2 ALA 81.A O no hydrogen 2.851 N/A VAL 108.A N THR 122.A OG1 no hydrogen 2.722 N/A LEU 109.A N VAL 84.A O no hydrogen 2.894 N/A VAL 110.A N ALA 123.A O no hydrogen 2.984 N/A ILE 111.A N THR 86.A O no hydrogen 2.956 N/A ASP 112.A N TYR 125.A O no hydrogen 3.191 N/A HIS 113.A N ASP 112.A OD1 no hydrogen 2.804 N/A HIS 113.A ND1 ALA 130.A O no hydrogen 3.125 N/A HIS 114.A N ASP 112.A OD1 no hydrogen 3.234 N/A HIS 114.A ND1 ASP 112.A OD1 no hydrogen 2.622 N/A ASN 117.A N HIS 114.A O no hydrogen 3.337 N/A ASN 117.A ND2 ASP 112.A OD2 no hydrogen 2.842 N/A GLN 118.A N PRO 90.A O no hydrogen 2.741 N/A LEU 119.A N ASN 117.A OD1 no hydrogen 2.827 N/A GLY 121.A N ASN 124.A OD1 no hydrogen 3.079 N/A THR 122.A N VAL 108.A O no hydrogen 2.780 N/A THR 122.A OG1 GLU 107.A OE1 no hydrogen 3.269 N/A THR 122.A OG1 VAL 108.A O no hydrogen 3.226 N/A ALA 123.A N VAL 108.A O no hydrogen 3.259 N/A ASN 124.A N ALA 2.A O no hydrogen 2.838 N/A ASN 124.A ND2 ALA 2.A O no hydrogen 2.902 N/A ASN 124.A ND2 GLY 121.A O no hydrogen 3.007 N/A TYR 125.A N VAL 110.A O no hydrogen 2.878 N/A TYR 125.A OH LEU 135.A O no hydrogen 3.126 N/A ASP 127.A N ASP 112.A O no hydrogen 3.211 N/A SER 129.A N ASP 127.A OD1 no hydrogen 2.953 N/A SER 129.A OG ASP 127.A OD1 no hydrogen 2.678 N/A SER 129.A OG ASP 127.A OD2 no hydrogen 3.361 N/A ALA 130.A N ASP 127.A O no hydrogen 3.222 N/A SER 132.A OG THR 134.A OG1 no hydrogen 2.883 N/A THR 133.A N ASP 30.A OD2 no hydrogen 2.998 N/A THR 133.A OG1 ASP 88.A OD1 no hydrogen 2.852 N/A THR 134.A N ASP 30.A OD1 no hydrogen 3.234 N/A THR 134.A OG1 SER 132.A OG no hydrogen 2.883 N/A THR 134.A OG1 LEU 155.A O no hydrogen 2.878 N/A VAL 136.A N THR 133.A O no hydrogen 2.987 N/A ALA 137.A N THR 134.A O no hydrogen 2.875 N/A LEU 139.A N LEU 135.A O no hydrogen 2.725 N/A LEU 140.A N VAL 136.A O no hydrogen 2.742 N/A ASP 141.A N ALA 137.A O no hydrogen 3.015 N/A ALA 142.A N GLU 138.A O no hydrogen 3.053 N/A TRP 143.A N LEU 139.A O no hydrogen 3.011 N/A TRP 143.A NE1 THR 14.A OG1 no hydrogen 2.927 N/A GLY 144.A N ASP 141.A O no hydrogen 2.895 N/A LYS 145.A N LEU 140.A O no hydrogen 3.085 N/A LYS 145.A NZ SER 45.A OG no hydrogen 3.176 N/A VAL 151.A N ASP 148.A OD1 no hydrogen 2.966 N/A ALA 152.A N ASP 148.A O no hydrogen 2.983 N/A HIS 153.A N GLU 149.A O no hydrogen 2.933 N/A CYS 154.A N LYS 150.A O no hydrogen 3.358 N/A CYS 154.A SG PRO 67.A O no hydrogen 3.108 N/A CYS 154.A SG LYS 150.A O no hydrogen 3.496 N/A LEU 155.A N VAL 151.A O no hydrogen 3.019 N/A TYR 156.A N ALA 152.A O no hydrogen 2.797 N/A ALA 157.A N HIS 153.A O no hydrogen 2.986 N/A LEU 159.A N LEU 155.A O no hydrogen 3.230 N/A THR 160.A N TYR 156.A O no hydrogen 2.962 N/A THR 161.A N ALA 157.A O no hydrogen 3.274 N/A THR 161.A OG1 ALA 157.A O no hydrogen 3.071 N/A THR 161.A OG1 GLY 158.A O no hydrogen 3.518 N/A ASP 162.A N GLY 158.A O no hydrogen 3.195 N/A THR 163.A N LEU 159.A O no hydrogen 3.247 N/A THR 163.A OG1 LEU 159.A O no hydrogen 2.700 N/A THR 163.A OG1 THR 160.A O no hydrogen 3.421 N/A GLY 164.A N THR 161.A O no hydrogen 3.280 N/A SER 165.A N THR 160.A O no hydrogen 2.626 N/A PHE 166.A N THR 163.A OG1 no hydrogen 2.957 N/A ARG 167.A N GLY 164.A O no hydrogen 3.131 N/A ARG 167.A NE GLY 164.A O no hydrogen 2.994 N/A TRP 168.A N THR 163.A O no hydrogen 3.155 N/A TRP 168.A NE1 ASP 162.A O no hydrogen 2.937 N/A ALA 169.A N PHE 166.A O no hydrogen 3.293 N/A THR 170.A N ASP 131.A OD2 no hydrogen 3.006 N/A THR 170.A OG1 ASP 131.A OD1 no hydrogen 2.700 N/A THR 170.A OG1 ASP 131.A OD2 no hydrogen 3.451 N/A ARG 172.A NH1 ASP 127.A OD2 no hydrogen 3.187 N/A ARG 172.A NH2 ASP 127.A OD2 no hydrogen 3.462 N/A ARG 172.A NH2 GLU 138.A OE1 no hydrogen 2.644 N/A ALA 173.A N THR 170.A O no hydrogen 3.255 N/A ALA 173.A N THR 170.A OG1 no hydrogen 3.246 N/A HIS 174.A N THR 170.A O no hydrogen 3.228 N/A ARG 175.A N ALA 171.A O no hydrogen 2.948 N/A LEU 176.A N ARG 172.A O no hydrogen 3.010 N/A ALA 177.A N ALA 173.A O no hydrogen 2.758 N/A ALA 178.A N HIS 174.A O no hydrogen 2.988 N/A ARG 179.A N ARG 175.A O no hydrogen 3.250 N/A ARG 179.A NH1 ASP 141.A OD2 no hydrogen 2.773 N/A ARG 179.A NH2 ASP 141.A OD1 no hydrogen 3.335 N/A LEU 180.A N LEU 176.A O no hydrogen 3.064 N/A VAL 181.A N ALA 177.A O no hydrogen 3.050 N/A GLU 182.A N ALA 178.A O no hydrogen 3.044 N/A LEU 183.A N ARG 179.A O no hydrogen 3.190 N/A LEU 183.A N LEU 180.A O no hydrogen 3.178 N/A GLY 184.A N VAL 181.A O no hydrogen 3.183 N/A VAL 185.A N LEU 180.A O no hydrogen 3.395 N/A SER 189.A N ASP 186.A OD1 no hydrogen 3.196 N/A ILE 190.A N ASP 186.A O no hydrogen 2.988 N/A SER 191.A N ASN 187.A O no hydrogen 2.919 N/A SER 191.A OG ASN 187.A O no hydrogen 2.644 N/A ARG 192.A N ALA 188.A O no hydrogen 3.122 N/A THR 193.A N SER 189.A O no hydrogen 3.033 N/A THR 193.A OG1 SER 189.A O no hydrogen 2.954 N/A LEU 194.A N ILE 190.A O no hydrogen 2.848 N/A LEU 195.A N SER 191.A O no hydrogen 2.859 N/A ASP 196.A N SER 191.A O no hydrogen 3.185 N/A ASP 196.A N ARG 192.A O no hydrogen 3.154 N/A THR 197.A OG1 ARG 192.A O no hydrogen 2.603 N/A THR 197.A OG1 THR 193.A O no hydrogen 3.220 N/A HIS 198.A ND1 GLU 241.A OE2 no hydrogen 2.767 N/A TRP 202.A N PRO 199.A O no hydrogen 3.105 N/A LEU 203.A N PHE 200.A O no hydrogen 2.802 N/A SER 206.A N LEU 203.A O no hydrogen 2.986 N/A ARG 207.A N PRO 204.A O no hydrogen 3.161 N/A ARG 207.A NE GLU 233.A OE2 no hydrogen 3.138 N/A ARG 207.A NH2 GLU 233.A OE1 no hydrogen 3.386 N/A LEU 209.A N LEU 205.A O no hydrogen 2.799 N/A THR 211.A N VAL 208.A O no hydrogen 3.165 N/A THR 211.A OG1 VAL 208.A O no hydrogen 2.545 N/A THR 211.A OG1 VAL 228.A O no hydrogen 3.555 N/A ALA 212.A N LEU 209.A O no hydrogen 3.227 N/A ARG 213.A N TYR 226.A O no hydrogen 3.044 N/A ARG 213.A NH1 ALA 210.A O no hydrogen 2.716 N/A ARG 213.A NH1 ALA 212.A O no hydrogen 2.946 N/A ARG 213.A NH2 ALA 210.A O no hydrogen 3.458 N/A LEU 215.A N PHE 224.A O no hydrogen 2.700 N/A GLY 221.A N ASP 217.A O no hydrogen 2.893 N/A ARG 222.A N LEU 219.A O no hydrogen 3.313 N/A GLY 223.A N ALA 218.A O no hydrogen 2.807 N/A PHE 224.A N LEU 215.A O no hydrogen 2.836 N/A VAL 225.A N VAL 257.A O no hydrogen 3.039 N/A TYR 226.A N ARG 213.A O no hydrogen 3.075 N/A ALA 227.A N ALA 259.A O no hydrogen 3.147 N/A VAL 228.A N THR 211.A OG1 no hydrogen 3.106 N/A VAL 229.A N PHE 261.A O no hydrogen 2.675 N/A HIS 231.A N GLU 263.A OE2 no hydrogen 3.382 N/A HIS 231.A ND1 GLU 263.A O no hydrogen 3.001 N/A TRP 234.A N PRO 230.A O no hydrogen 2.893 N/A SER 235.A N HIS 231.A O no hydrogen 2.900 N/A SER 235.A OG HIS 231.A NE2 no hydrogen 3.175 N/A ALA 237.A N TRP 234.A O no hydrogen 3.428 N/A GLU 241.A N ARG 238.A O no hydrogen 2.831 N/A VAL 242.A N ARG 238.A O no hydrogen 3.419 N/A GLU 243.A N PRO 239.A O no hydrogen 2.891 N/A SER 244.A OG GLU 240.A O no hydrogen 3.264 N/A ILE 245.A N VAL 242.A O no hydrogen 3.181 N/A VAL 249.A N ILE 245.A O no hydrogen 3.074 N/A ARG 250.A N VAL 246.A O no hydrogen 2.710 N/A THR 251.A N ILE 248.A O no hydrogen 3.464 N/A THR 251.A OG1 ILE 248.A O no hydrogen 2.660 N/A THR 252.A N VAL 249.A O no hydrogen 3.205 N/A THR 252.A OG1 VAL 249.A O no hydrogen 3.106 N/A GLN 254.A N GLN 254.A OE1 no hydrogen 3.043 N/A ALA 255.A N THR 252.A O no hydrogen 3.508 N/A GLU 256.A N ARG 222.A O no hydrogen 2.839 N/A GLU 256.A N GLY 223.A O no hydrogen 3.161 N/A VAL 257.A N GLY 223.A O no hydrogen 3.341 N/A ALA 258.A N ARG 272.A O no hydrogen 2.920 N/A ALA 259.A N VAL 225.A O no hydrogen 2.959 N/A VAL 260.A N SER 271.A O no hydrogen 2.884 N/A PHE 261.A N ALA 227.A O no hydrogen 2.992 N/A LYS 262.A N SER 269.A O no hydrogen 2.901 N/A LYS 262.A NZ GLU 243.A OE2.B no hydrogen 2.792 N/A LYS 262.A NZ SER 271.A OG no hydrogen 2.875 N/A GLU 263.A N VAL 229.A O no hydrogen 2.941 N/A GLU 265.A N HIS 267.A O no hydrogen 3.358 N/A TRP 268.A N ALA 298.A O no hydrogen 2.726 N/A TRP 268.A NE1 GLY 300.A O no hydrogen 2.712 N/A SER 269.A N LYS 262.A O no hydrogen 2.754 N/A VAL 270.A N TYR 296.A O no hydrogen 2.792 N/A SER 271.A N VAL 260.A O no hydrogen 3.011 N/A ARG 272.A NH2 GLU 243.A OE2.A no hydrogen 3.258 N/A ALA 273.A N HIS 292.A O no hydrogen 2.932 N/A LYS 274.A N GLU 256.A O no hydrogen 3.363 N/A LYS 274.A NZ THR 252.A O no hydrogen 2.949 N/A LYS 274.A NZ ALA 255.A O no hydrogen 2.770 N/A SER 275.A N GLU 256.A OE2 no hydrogen 2.852 N/A VAL 276.A N GLU 256.A OE2 no hydrogen 2.832 N/A LEU 278.A N PRO 291.A O no hydrogen 2.799 N/A ALA 282.A N LEU 278.A O no hydrogen 3.030 N/A SER 283.A N ALA 279.A O no hydrogen 3.340 N/A SER 283.A OG ALA 279.A O no hydrogen 2.716 N/A ALA 284.A N VAL 281.A O no hydrogen 3.142 N/A PHE 285.A N ALA 282.A O no hydrogen 3.227 N/A GLY 286.A N SER 283.A O no hydrogen 3.050 N/A GLY 287.A N ALA 282.A O no hydrogen 2.816 N/A GLY 288.A N GLY 295.A O no hydrogen 3.004 N/A HIS 290.A N ALA 293.A O no hydrogen 2.787 N/A ALA 293.A N HIS 290.A O no hydrogen 3.410 N/A GLY 295.A N GLY 288.A O no hydrogen 2.809 N/A TYR 296.A N VAL 270.A O no hydrogen 3.071 N/A ALA 298.A N TRP 268.A O no hydrogen 2.803 N/A VAL 305.A N SER 301.A O no hydrogen 3.160 N/A VAL 306.A N ALA 302.A O no hydrogen 3.036 N/A GLN 307.A N ASP 303.A O no hydrogen 3.014 N/A ALA 308.A N ASP 304.A O no hydrogen 3.114 N/A LEU 309.A N VAL 305.A O no hydrogen 3.380 N/A ALA 310.A N VAL 306.A O no hydrogen 3.074 N/A ARG 311.A N GLN 307.A O no hydrogen 3.044 N/A ALA 312.A N ALA 308.A O no hydrogen 3.249 N/A LEU 313.A N LEU 309.A O no hydrogen 3.075 N/A GLY 314.A N ALA 310.A O no hydrogen 3.446 N/A