Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N LEU 168.A O no hydrogen 3.187 N/A VAL 6.A N LEU 166.A O no hydrogen 2.885 N/A LEU 8.A N SER 164.A O no hydrogen 2.748 N/A THR 9.A N PHE 17.A O no hydrogen 3.005 N/A ASN 10.A ND2 GLY 161.A O no hydrogen 2.760 N/A ASP 13.A N ASN 10.A OD1 no hydrogen 2.889 N/A SER 14.A N TYR 11.A O no hydrogen 2.833 N/A GLN 15.A N TYR 11.A O no hydrogen 3.409 N/A TYR 16.A OH MET 165.A O no hydrogen 3.369 N/A PHE 17.A N THR 9.A O no hydrogen 3.297 N/A GLY 18.A N VAL 31.A O no hydrogen 2.704 N/A ILE 20.A N PHE 29.A O no hydrogen 2.901 N/A TYR 21.A N THR 92.A O no hydrogen 2.891 N/A TYR 21.A OH GLU 28.A OE2 no hydrogen 3.126 N/A LEU 22.A N GLN 27.A O no hydrogen 2.809 N/A GLY 23.A N THR 90.A O no hydrogen 2.928 N/A THR 24.A N SER 63.A OG no hydrogen 3.332 N/A THR 24.A OG1 THR 65.A OG1 no hydrogen 3.135 N/A GLN 27.A N LEU 22.A O no hydrogen 2.845 N/A PHE 29.A N ILE 20.A O no hydrogen 2.900 N/A THR 30.A N ASP 120.A OD2 no hydrogen 3.051 N/A VAL 31.A N GLY 18.A O no hydrogen 2.675 N/A LEU 32.A N GLY 121.A O no hydrogen 3.049 N/A ASP 34.A N LEU 123.A O no hydrogen 3.089 N/A THR 35.A N THR 217.A OG1 no hydrogen 3.163 N/A THR 35.A OG1 LEU 215.A O no hydrogen 2.784 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 3.080 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.856 N/A SER 38.A OG TYR 127.A O no hydrogen 2.675 N/A TRP 41.A N ILE 122.A O no hydrogen 2.991 N/A TRP 41.A NE1 TYR 77.A OH.B no hydrogen 2.982 N/A VAL 42.A N GLY 104.A O no hydrogen 3.210 N/A SER 44.A OG SER 106.A O no hydrogen 2.711 N/A ILE 45.A N PHE 58.A O no hydrogen 3.071 N/A TYR 46.A N SER 44.A OG no hydrogen 3.150 N/A CYS 47.A N SER 44.A O no hydrogen 2.913 N/A CYS 47.A SG SER 106.A OG no hydrogen 3.762 N/A CYS 47.A SG THR 107.A O no hydrogen 3.683 N/A CYS 52.A N SER 49.A O no hydrogen 2.745 N/A CYS 52.A SG SER 106.A OG no hydrogen 3.649 N/A LYS 53.A N SER 49.A O no hydrogen 3.094 N/A ASN 54.A N ASN 50.A O no hydrogen 3.083 N/A HIS 55.A N CYS 52.A O no hydrogen 3.053 N/A HIS 55.A ND1 ALA 51.A O no hydrogen 2.826 N/A HIS 55.A NE2 ALA 117.A O no hydrogen 3.000 N/A GLN 56.A N ASP 120.A OD1 no hydrogen 3.275 N/A ARG 57.A NH1 CYS 47.A O no hydrogen 3.250 N/A PHE 58.A N PRO 43.A O no hydrogen 2.717 N/A ARG 61.A NE ASP 59.A OD1 no hydrogen 2.834 N/A ARG 61.A NE ASP 59.A OD2 no hydrogen 3.262 N/A ARG 61.A NH2 ASP 59.A OD2 no hydrogen 2.854 N/A LYS 62.A N ASP 59.A O no hydrogen 3.107 N/A SER 63.A N PRO 60.A O no hydrogen 2.873 N/A SER 63.A OG ASP 89.A OD2 no hydrogen 2.851 N/A SER 64.A N THR 24.A O no hydrogen 2.835 N/A THR 65.A N SER 63.A OG no hydrogen 3.211 N/A THR 65.A OG1 THR 24.A OG1 no hydrogen 3.135 N/A THR 65.A OG1 SER 63.A OG no hydrogen 3.173 N/A THR 65.A OG1 ASP 89.A OD1 no hydrogen 2.813 N/A GLN 67.A N TYR 88.A O no hydrogen 3.078 N/A ASN 68.A ND2 LEU 86.A O no hydrogen 3.092 N/A LEU 69.A N LEU 86.A O no hydrogen 3.351 N/A GLY 70.A N LEU 86.A O no hydrogen 3.203 N/A LYS 71.A NZ TYR 134.A OH no hydrogen 3.301 N/A LEU 73.A N GLY 84.A O no hydrogen 3.107 N/A ILE 75.A N.A MET 82.A O no hydrogen 3.142 N/A ILE 75.A N.B MET 82.A O no hydrogen 3.143 N/A TYR 77.A N.A GLY 80.A O.A no hydrogen 2.613 N/A TYR 77.A N.A GLY 80.A O.B no hydrogen 2.803 N/A TYR 77.A OH.A GLY 218.A O no hydrogen 3.117 N/A GLY 80.A N.A TYR 77.A O.A no hydrogen 2.657 N/A GLY 80.A N.A TYR 77.A O.B no hydrogen 2.761 N/A GLY 80.A N.B TYR 77.A O.A no hydrogen 2.372 N/A MET 82.A N ILE 75.A O.A no hydrogen 2.927 N/A MET 82.A N ILE 75.A O.B no hydrogen 3.251 N/A GLN 83.A N GLN 108.A O no hydrogen 2.975 N/A GLY 84.A N LEU 73.A O no hydrogen 2.932 N/A ILE 85.A N LEU 105.A O no hydrogen 2.901 N/A LEU 86.A N LYS 71.A O no hydrogen 2.711 N/A GLY 87.A N VAL 103.A O no hydrogen 2.979 N/A TYR 88.A N GLN 67.A O no hydrogen 3.032 N/A ASP 89.A N GLN 101.A O no hydrogen 3.299 N/A THR 90.A N ASP 89.A OD1 no hydrogen 2.665 N/A VAL 91.A N ASP 98.A O no hydrogen 2.801 N/A THR 92.A N TYR 21.A O no hydrogen 2.800 N/A VAL 93.A N ILE 96.A O no hydrogen 3.230 N/A SER 94.A OG SER 5.A O no hydrogen 3.425 N/A ASN 95.A ND2 VAL 3.A O no hydrogen 3.265 N/A ILE 96.A N VAL 93.A O no hydrogen 3.156 N/A ASP 98.A N VAL 91.A O no hydrogen 2.899 N/A GLN 101.A N ASP 89.A O no hydrogen 3.017 N/A GLN 101.A NE2 ASP 98.A OD1 no hydrogen 3.409 N/A GLN 101.A NE2 ASP 98.A OD2 no hydrogen 2.748 N/A THR 102.A OG1 GLN 101.A OE1 no hydrogen 3.281 N/A VAL 103.A N GLY 87.A O no hydrogen 2.854 N/A GLY 104.A N PHE 40.A O no hydrogen 3.040 N/A LEU 105.A N ILE 85.A O no hydrogen 2.785 N/A SER 106.A N VAL 42.A O no hydrogen 3.084 N/A SER 106.A OG GLU 109.A OE2 no hydrogen 2.742 N/A THR 107.A N GLN 83.A O no hydrogen 2.697 N/A THR 107.A OG1 GLN 83.A O no hydrogen 3.006 N/A THR 107.A OG1 GLN 108.A OE1 no hydrogen 3.344 N/A GLN 108.A N GLN 83.A O no hydrogen 3.170 N/A GLU 109.A N SER 49.A OG no hydrogen 3.163 N/A THR 115.A OG1 GLY 111.A O no hydrogen 3.228 N/A TYR 116.A N ASP 112.A O no hydrogen 3.312 N/A ALA 117.A N PHE 114.A O no hydrogen 3.304 N/A GLU 118.A N GLN 15.A OE1 no hydrogen 3.127 N/A ASP 120.A N THR 30.A O no hydrogen 2.708 N/A GLY 121.A N THR 30.A O no hydrogen 3.271 N/A ILE 122.A N TRP 41.A O no hydrogen 3.200 N/A LEU 123.A N LEU 32.A O no hydrogen 2.947 N/A GLY 124.A N ASP 39.A O no hydrogen 3.127 N/A MET 125.A N ASP 34.A O no hydrogen 2.670 N/A ALA 126.A N SER 37.A O no hydrogen 2.906 N/A TYR 127.A N GLN 189.A O no hydrogen 2.992 N/A TYR 127.A OH ASN 312.A OD1 no hydrogen 2.763 N/A SER 129.A OG GLN 188.A O no hydrogen 2.902 N/A LEU 130.A N TYR 127.A O no hydrogen 3.167 N/A ALA 131.A N PRO 128.A O no hydrogen 3.058 N/A SER 132.A N ASP 39.A OD1 no hydrogen 2.624 N/A SER 132.A N ASP 39.A OD2 no hydrogen 3.283 N/A SER 132.A OG ASP 39.A OD2 no hydrogen 2.769 N/A SER 135.A N SER 132.A O no hydrogen 3.016 N/A SER 135.A OG ASP 39.A OD1 no hydrogen 3.251 N/A ILE 136.A N THR 102.A OG1 no hydrogen 3.050 N/A ASP 140.A N PRO 137.A O no hydrogen 2.917 N/A ASN 141.A N PRO 137.A O no hydrogen 3.252 N/A MET 142.A N VAL 138.A O no hydrogen 3.052 N/A MET 143.A N PHE 139.A O no hydrogen 2.887 N/A ASN 144.A N ASP 140.A O no hydrogen 2.885 N/A ARG 145.A NH1 ILE 99.A O no hydrogen 2.688 N/A ARG 145.A NH2 ILE 99.A O no hydrogen 2.949 N/A HIS 146.A N MET 143.A O no hydrogen 3.022 N/A LEU 147.A N MET 142.A O no hydrogen 2.750 N/A ALA 149.A N GLU 2.A O no hydrogen 2.327 N/A GLN 150.A NE2 GLY 169.A O no hydrogen 3.284 N/A PHE 153.A N PHE 307.A O no hydrogen 2.896 N/A SER 154.A N THR 167.A O no hydrogen 2.819 N/A SER 154.A OG ALA 170.A O no hydrogen 2.677 N/A VAL 155.A N SER 305.A O no hydrogen 2.746 N/A TYR 156.A N MET 165.A O no hydrogen 2.769 N/A TYR 156.A OH ILE 320.A O no hydrogen 3.386 N/A ASP 158.A N SER 164.A OG no hydrogen 3.196 N/A ARG 159.A NE GLU 302.A OE2 no hydrogen 3.322 N/A ARG 159.A NH2 GLU 302.A OE1 no hydrogen 2.739 N/A ASN 160.A N ASP 158.A OD1 no hydrogen 2.847 N/A GLY 161.A N ASP 158.A O no hydrogen 2.894 N/A MET 165.A N TYR 156.A O no hydrogen 2.939 N/A LEU 166.A N VAL 6.A O no hydrogen 3.287 N/A THR 167.A N SER 154.A O no hydrogen 3.007 N/A LEU 168.A N ALA 4.A O no hydrogen 2.680 N/A GLY 169.A N LEU 152.A O no hydrogen 2.712 N/A ASP 172.A N TYR 304.A OH no hydrogen 2.964 N/A SER 174.A N ASP 172.A OD1 no hydrogen 3.405 N/A TYR 175.A N ASP 172.A O no hydrogen 3.268 N/A THR 177.A N LYS 318.A O no hydrogen 2.765 N/A HIS 181.A N LEU 316.A O no hydrogen 2.899 N/A VAL 183.A N VAL 314.A O no hydrogen 2.703 N/A VAL 185.A N ASN 312.A O no hydrogen 3.298 N/A THR 186.A N GLN 192.A O no hydrogen 3.114 N/A THR 186.A OG1 GLN 212.A OE1 no hydrogen 2.663 N/A GLN 189.A N VAL 187.A O no hydrogen 3.111 N/A GLN 189.A N TYR 190.A O no hydrogen 3.177 N/A TRP 191.A NE1 MET 125.A O no hydrogen 3.119 N/A PHE 193.A N ALA 213.A O no hydrogen 3.024 N/A VAL 195.A N CYS 211.A O no hydrogen 2.859 N/A ASP 196.A N GLU 262.A O no hydrogen 2.857 N/A SER 197.A OG GLU 262.A OE1 no hydrogen 2.804 N/A VAL 198.A N ALA 206.A O no hydrogen 3.112 N/A THR 199.A N VAL 260.A O no hydrogen 2.907 N/A THR 199.A OG1 VAL 260.A O no hydrogen 3.507 N/A ILE 200.A N VAL 203.A O no hydrogen 2.675 N/A VAL 203.A N ILE 200.A O no hydrogen 3.117 N/A VAL 205.A N VAL 198.A O no hydrogen 2.701 N/A ALA 206.A N VAL 198.A O no hydrogen 3.175 N/A CYS 207.A N ASP 228.A OD2 no hydrogen 3.172 N/A CYS 207.A SG VAL 195.A O no hydrogen 3.617 N/A CYS 207.A SG CYS 207.A O no hydrogen 2.898 N/A GLY 210.A N CYS 207.A O no hydrogen 2.966 N/A CYS 211.A N VAL 195.A O no hydrogen 2.770 N/A CYS 211.A SG VAL 195.A O no hydrogen 4.017 N/A GLN 212.A NE2 THR 194.A OG1 no hydrogen 2.737 N/A ALA 213.A N PHE 193.A O no hydrogen 2.771 N/A ILE 214.A N TRP 293.A O no hydrogen 2.829 N/A LEU 215.A N TRP 191.A O no hydrogen 3.021 N/A ASP 216.A N LEU 295.A O no hydrogen 3.258 N/A THR 217.A N THR 35.A OG1 no hydrogen 2.755 N/A THR 217.A OG1 PHE 33.A O no hydrogen 2.672 N/A GLY 218.A N ASP 216.A OD1 no hydrogen 2.801 N/A THR 219.A OG1 ASP 216.A OD2 no hydrogen 3.013 N/A SER 220.A OG SER 14.A O no hydrogen 3.105 N/A LEU 222.A N GLY 286.A O no hydrogen 3.152 N/A VAL 223.A N ILE 294.A O no hydrogen 2.911 N/A GLY 224.A N GLN 288.A O no hydrogen 3.136 N/A ILE 229.A N PRO 225.A O no hydrogen 2.862 N/A LEU 230.A N SER 226.A O no hydrogen 2.817 N/A ASN 231.A N SER 227.A O no hydrogen 3.267 N/A ILE 232.A N ASP 228.A O no hydrogen 3.088 N/A GLN 233.A N ILE 229.A O no hydrogen 2.693 N/A GLN 233.A NE2 PHE 287.A O no hydrogen 2.933 N/A GLN 234.A N LEU 230.A O no hydrogen 3.070 N/A ALA 235.A N ASN 231.A O no hydrogen 3.035 N/A ILE 236.A N ILE 232.A O no hydrogen 3.122 N/A GLY 237.A N GLN 234.A O no hydrogen 3.268 N/A ALA 238.A N GLN 233.A O no hydrogen 2.634 N/A THR 239.A N ASP 247.A O no hydrogen 3.240 N/A ASN 241.A N GLU 245.A O no hydrogen 2.790 N/A TYR 243.A N ASN 241.A OD1 no hydrogen 2.800 N/A GLY 244.A N ASN 241.A O no hydrogen 2.815 N/A ASP 247.A N THR 239.A O no hydrogen 2.667 N/A ILE 248.A N CYS 283.A O no hydrogen 2.667 N/A CYS 250.A SG ILE 248.A O no hydrogen 3.494 N/A CYS 250.A SG GLY 281.A O no hydrogen 3.730 N/A ASN 252.A N ASP 249.A O no hydrogen 2.911 N/A TYR 255.A N ASN 252.A O no hydrogen 3.392 N/A VAL 259.A N LEU 270.A O no hydrogen 2.812 N/A VAL 260.A N THR 199.A O no hydrogen 2.694 N/A PHE 261.A N TYR 268.A O no hydrogen 3.346 N/A GLU 262.A N SER 197.A O no hydrogen 3.101 N/A ILE 263.A N LYS 266.A O no hydrogen 2.756 N/A ASN 264.A ND2 TRP 182.A O no hydrogen 3.689 N/A GLY 265.A N ASP 196.A OD2 no hydrogen 3.146 N/A LYS 266.A N ILE 263.A O no hydrogen 3.021 N/A TYR 268.A N PHE 261.A O no hydrogen 2.669 N/A LEU 270.A N VAL 259.A O no hydrogen 2.696 N/A THR 271.A OG1 SER 273.A OG no hydrogen 3.308 N/A SER 273.A OG THR 271.A OG1 no hydrogen 3.308 N/A ALA 274.A N THR 271.A OG1 no hydrogen 3.326 N/A TYR 275.A N THR 271.A O no hydrogen 2.843 N/A TYR 275.A OH PRO 257.A O no hydrogen 2.661 N/A THR 276.A OG1 PRO 272.A O no hydrogen 2.826 N/A SER 277.A N THR 284.A O no hydrogen 3.145 N/A GLN 278.A NE2 GLN 280.A O no hydrogen 3.487 N/A ASP 279.A N PHE 282.A O no hydrogen 3.141 N/A PHE 282.A N ASP 279.A O no hydrogen 3.049 N/A THR 284.A N SER 277.A O no hydrogen 2.806 N/A THR 284.A OG1 GLU 245.A OE2 no hydrogen 2.543 N/A SER 285.A N PHE 246.A O no hydrogen 2.871 N/A SER 285.A OG GLN 233.A OE1 no hydrogen 3.071 N/A GLN 288.A N LEU 222.A O no hydrogen 2.855 N/A GLU 290.A N GLY 224.A O no hydrogen 3.258 N/A TRP 293.A N GLN 212.A O no hydrogen 3.069 N/A ILE 294.A N VAL 223.A O no hydrogen 2.678 N/A LEU 295.A N ILE 214.A O no hydrogen 2.921 N/A ASP 297.A N THR 219.A O no hydrogen 2.828 N/A VAL 298.A N SER 220.A O no hydrogen 3.318 N/A PHE 299.A N GLY 296.A O no hydrogen 3.094 N/A ILE 300.A N GLY 296.A O no hydrogen 3.042 N/A ARG 301.A N ASP 297.A O no hydrogen 2.955 N/A ARG 301.A NH2 ASP 13.A O no hydrogen 3.083 N/A GLU 302.A N PHE 299.A O no hydrogen 3.129 N/A TYR 303.A N PHE 299.A O no hydrogen 3.057 N/A TYR 303.A OH PRO 269.A O no hydrogen 2.835 N/A SER 305.A N VAL 155.A O no hydrogen 3.171 N/A SER 305.A OG TYR 303.A O no hydrogen 2.973 N/A VAL 306.A N GLY 315.A O no hydrogen 2.833 N/A PHE 307.A N PHE 153.A O no hydrogen 2.725 N/A ASP 308.A N LEU 313.A O no hydrogen 2.988 N/A ARG 309.A N ASP 151.A O no hydrogen 2.877 N/A ARG 309.A NH1 ASP 140.A OD1 no hydrogen 2.827 N/A ARG 309.A NH1 ASP 140.A OD2 no hydrogen 3.513 N/A ARG 309.A NH2 ASP 140.A OD2 no hydrogen 2.879 N/A ALA 310.A N ASP 151.A O no hydrogen 3.375 N/A ASN 311.A N ASP 308.A OD1 no hydrogen 2.845 N/A ASN 311.A ND2 ASP 308.A OD2 no hydrogen 2.945 N/A LEU 313.A N ASP 308.A O no hydrogen 3.198 N/A VAL 314.A N VAL 183.A O no hydrogen 2.949 N/A GLY 315.A N VAL 306.A O no hydrogen 3.040 N/A LEU 316.A N HIS 181.A O no hydrogen 2.912 N/A ALA 317.A N TYR 304.A O no hydrogen 3.312 N/A ALA 319.A N GLU 302.A O no hydrogen 2.598 N/A ILE 320.A N TYR 175.A O no hydrogen 3.052 N/A