Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1cms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N LEU 147.A O no hydrogen 2.670 N/A ALA 4.A N LEU 168.A O no hydrogen 3.139 N/A VAL 6.A N LEU 166.A O no hydrogen 2.794 N/A LEU 8.A N SER 164.A O no hydrogen 2.981 N/A THR 9.A N PHE 17.A O no hydrogen 3.110 N/A TYR 11.A N GLN 15.A O no hydrogen 2.917 N/A ASP 13.A N ASN 10.A OD1 no hydrogen 2.954 N/A SER 14.A OG SER 220.A OG no hydrogen 2.774 N/A GLN 15.A N TYR 11.A O no hydrogen 3.268 N/A PHE 17.A N THR 9.A O no hydrogen 2.876 N/A GLY 18.A N VAL 31.A O no hydrogen 2.995 N/A ILE 20.A N PHE 29.A O no hydrogen 3.019 N/A TYR 21.A N THR 92.A O no hydrogen 2.939 N/A TYR 21.A OH GLU 28.A OE1 no hydrogen 2.493 N/A LEU 22.A N GLN 27.A O no hydrogen 2.742 N/A GLY 23.A N THR 90.A O no hydrogen 3.000 N/A THR 24.A N SER 63.A OG no hydrogen 3.341 N/A THR 24.A OG1 THR 65.A OG1 no hydrogen 2.439 N/A GLN 27.A N LEU 22.A O no hydrogen 2.837 N/A GLN 27.A NE2 ASP 59.A O no hydrogen 2.847 N/A PHE 29.A N ILE 20.A O no hydrogen 2.853 N/A THR 30.A N ASP 120.A OD2 no hydrogen 2.826 N/A VAL 31.A N GLY 18.A O no hydrogen 2.800 N/A LEU 32.A N GLY 121.A O no hydrogen 3.073 N/A ASP 34.A N LEU 123.A O no hydrogen 2.990 N/A THR 35.A N THR 217.A OG1 no hydrogen 3.064 N/A THR 35.A OG1 LEU 215.A O no hydrogen 3.055 N/A GLY 36.A N ASP 34.A OD2 no hydrogen 3.141 N/A SER 37.A N ASP 34.A O no hydrogen 3.454 N/A SER 37.A OG ASP 34.A OD1 no hydrogen 2.365 N/A SER 38.A OG TYR 127.A O no hydrogen 2.614 N/A TRP 41.A N ILE 122.A O no hydrogen 3.228 N/A VAL 42.A N GLY 104.A O no hydrogen 2.998 N/A SER 44.A OG SER 106.A O no hydrogen 2.727 N/A ILE 45.A N PHE 58.A O no hydrogen 3.081 N/A TYR 46.A N SER 44.A OG no hydrogen 3.239 N/A CYS 47.A N SER 44.A O no hydrogen 2.748 N/A CYS 47.A SG SER 49.A OG no hydrogen 3.709 N/A CYS 47.A SG THR 107.A O no hydrogen 3.429 N/A LYS 53.A N SER 49.A O no hydrogen 2.984 N/A ASN 54.A N ALA 51.A O no hydrogen 3.109 N/A ASN 54.A ND2 THR 115.A O no hydrogen 2.612 N/A HIS 55.A N CYS 52.A O no hydrogen 3.302 N/A HIS 55.A ND1 ALA 51.A O no hydrogen 2.962 N/A HIS 55.A NE2 ALA 117.A O no hydrogen 2.959 N/A GLN 56.A N ASP 120.A OD1 no hydrogen 2.952 N/A ARG 57.A NH2 CYS 47.A O no hydrogen 3.110 N/A PHE 58.A N PRO 43.A O no hydrogen 2.698 N/A ASP 59.A N GLN 27.A OE1 no hydrogen 2.951 N/A ARG 61.A N ASP 59.A OD1 no hydrogen 3.083 N/A ARG 61.A NE ASP 59.A OD1 no hydrogen 2.865 N/A ARG 61.A NH1 ASP 59.A OD2 no hydrogen 2.949 N/A LYS 62.A N ASP 59.A O no hydrogen 2.740 N/A SER 63.A N PRO 60.A O no hydrogen 3.065 N/A SER 63.A OG ASP 89.A OD1 no hydrogen 2.633 N/A SER 63.A OG ASP 89.A OD2 no hydrogen 3.482 N/A SER 64.A N THR 24.A O no hydrogen 2.939 N/A THR 65.A N SER 63.A OG no hydrogen 3.336 N/A THR 65.A OG1 THR 24.A OG1 no hydrogen 2.439 N/A THR 65.A OG1 ASP 89.A OD2 no hydrogen 2.683 N/A GLN 67.A N TYR 88.A O no hydrogen 3.149 N/A GLN 67.A NE2 ASN 68.A O no hydrogen 3.027 N/A ASN 68.A ND2 LEU 86.A O no hydrogen 3.262 N/A LEU 69.A N LEU 86.A O no hydrogen 3.054 N/A GLY 70.A N LEU 86.A O no hydrogen 3.034 N/A LYS 71.A NZ TYR 134.A OH no hydrogen 3.137 N/A LEU 73.A N GLY 84.A O no hydrogen 3.215 N/A ILE 75.A N MET 82.A O no hydrogen 2.897 N/A HIS 76.A ND1 GLY 80.A O no hydrogen 3.167 N/A TYR 77.A N GLY 80.A O no hydrogen 2.910 N/A GLY 80.A N TYR 77.A O no hydrogen 2.604 N/A MET 82.A N ILE 75.A O no hydrogen 2.829 N/A GLN 83.A N GLN 108.A O no hydrogen 2.566 N/A GLY 84.A N LEU 73.A O no hydrogen 2.757 N/A ILE 85.A N LEU 105.A O no hydrogen 2.633 N/A LEU 86.A N LYS 71.A O no hydrogen 2.699 N/A GLY 87.A N VAL 103.A O no hydrogen 2.981 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 3.122 N/A THR 90.A N ASP 89.A OD2 no hydrogen 2.774 N/A THR 90.A OG1 ILE 99.A O no hydrogen 3.545 N/A VAL 91.A N ASP 98.A O no hydrogen 2.707 N/A THR 92.A N TYR 21.A O no hydrogen 2.719 N/A VAL 93.A N ILE 96.A O no hydrogen 3.080 N/A ASN 95.A ND2 GLU 2.A OE2 no hydrogen 2.704 N/A ILE 96.A N VAL 93.A O no hydrogen 2.865 N/A ASP 98.A N VAL 91.A O no hydrogen 2.764 N/A GLN 101.A N ASP 89.A O no hydrogen 2.766 N/A GLN 101.A NE2 ASP 98.A OD1 no hydrogen 2.068 N/A THR 102.A OG1 TYR 134.A O no hydrogen 3.437 N/A VAL 103.A N GLY 87.A O no hydrogen 3.017 N/A GLY 104.A N PHE 40.A O no hydrogen 2.636 N/A LEU 105.A N ILE 85.A O no hydrogen 2.731 N/A SER 106.A N VAL 42.A O no hydrogen 2.976 N/A SER 106.A OG GLU 109.A OE1 no hydrogen 2.991 N/A THR 107.A N GLN 83.A O no hydrogen 2.786 N/A THR 107.A OG1 GLN 83.A O no hydrogen 3.044 N/A GLN 108.A N GLN 83.A O no hydrogen 3.108 N/A GLU 109.A N SER 49.A OG no hydrogen 3.309 N/A TYR 116.A N ASP 112.A O no hydrogen 3.077 N/A ALA 117.A N VAL 113.A O no hydrogen 3.237 N/A ALA 117.A N PHE 114.A O no hydrogen 3.232 N/A GLU 118.A N GLN 15.A OE1 no hydrogen 2.906 N/A ASP 120.A N THR 30.A O no hydrogen 2.723 N/A GLY 121.A N THR 30.A O no hydrogen 3.253 N/A ILE 122.A N TRP 41.A O no hydrogen 3.325 N/A LEU 123.A N LEU 32.A O no hydrogen 3.051 N/A GLY 124.A N ASP 39.A O no hydrogen 2.931 N/A MET 125.A N ASP 34.A O no hydrogen 2.677 N/A ALA 126.A N SER 37.A O no hydrogen 3.025 N/A TYR 127.A N GLN 189.A O no hydrogen 2.897 N/A SER 129.A OG GLN 188.A O no hydrogen 3.063 N/A LEU 130.A N TYR 127.A O no hydrogen 2.873 N/A ALA 131.A N PRO 128.A O no hydrogen 2.868 N/A SER 132.A N ASP 39.A OD2 no hydrogen 2.545 N/A SER 132.A OG ASP 39.A OD1 no hydrogen 2.768 N/A SER 132.A OG ASP 39.A OD2 no hydrogen 3.281 N/A SER 135.A N SER 132.A O no hydrogen 3.182 N/A SER 135.A OG ASP 39.A OD2 no hydrogen 3.399 N/A ASN 141.A N PRO 137.A O no hydrogen 3.398 N/A MET 142.A N VAL 138.A O no hydrogen 3.009 N/A MET 143.A N PHE 139.A O no hydrogen 2.776 N/A ASN 144.A N ASP 140.A O no hydrogen 2.667 N/A ARG 145.A N ASN 141.A O no hydrogen 2.990 N/A HIS 146.A N MET 143.A O no hydrogen 3.076 N/A LEU 147.A N MET 142.A O no hydrogen 2.682 N/A ALA 149.A N GLU 2.A O no hydrogen 2.930 N/A PHE 153.A N PHE 310.A O no hydrogen 2.700 N/A SER 154.A N THR 167.A O no hydrogen 2.851 N/A SER 154.A OG ALA 170.A O no hydrogen 2.643 N/A SER 154.A OG TYR 307.A OH no hydrogen 3.182 N/A VAL 155.A N SER 308.A O no hydrogen 2.936 N/A TYR 156.A N MET 165.A O no hydrogen 3.016 N/A ASP 158.A N SER 164.A OG no hydrogen 2.815 N/A ARG 159.A NH2 GLU 305.A OE1 no hydrogen 3.224 N/A ARG 159.A NH2 GLU 305.A OE2 no hydrogen 3.237 N/A ASN 160.A N ASP 158.A OD1 no hydrogen 2.789 N/A GLY 161.A N ASP 158.A O no hydrogen 2.686 N/A GLN 162.A N ASP 158.A OD2 no hydrogen 3.358 N/A GLU 163.A N ASP 158.A OD2 no hydrogen 2.947 N/A MET 165.A N TYR 156.A O no hydrogen 2.870 N/A LEU 166.A N VAL 6.A O no hydrogen 2.609 N/A THR 167.A N SER 154.A O no hydrogen 2.955 N/A LEU 168.A N ALA 4.A O no hydrogen 2.921 N/A GLY 169.A N LEU 152.A O no hydrogen 2.848 N/A ASP 172.A N TYR 307.A OH no hydrogen 3.034 N/A SER 174.A N ASP 172.A OD2 no hydrogen 3.110 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 3.327 N/A SER 174.A OG ASP 172.A OD2 no hydrogen 3.301 N/A TYR 175.A N ASP 172.A O no hydrogen 3.290 N/A TYR 176.A N PRO 173.A O no hydrogen 3.442 N/A THR 177.A N LYS 321.A O no hydrogen 2.838 N/A HIS 181.A N LEU 319.A O no hydrogen 2.800 N/A HIS 181.A ND1 TYR 268.A OH no hydrogen 2.671 N/A HIS 181.A NE2 ASN 264.A OD1 no hydrogen 2.570 N/A VAL 183.A N VAL 317.A O no hydrogen 2.705 N/A VAL 185.A N ASN 315.A O no hydrogen 3.193 N/A THR 186.A N GLN 192.A O no hydrogen 2.863 N/A THR 186.A OG1 GLN 192.A O no hydrogen 3.569 N/A THR 186.A OG1 GLN 212.A OE1 no hydrogen 2.413 N/A GLN 189.A N TYR 190.A O no hydrogen 3.334 N/A GLN 189.A NE2 SER 129.A OG no hydrogen 2.931 N/A GLN 189.A NE2 GLN 188.A O no hydrogen 3.299 N/A TRP 191.A NE1 MET 125.A O no hydrogen 3.180 N/A PHE 193.A N ALA 213.A O no hydrogen 2.832 N/A VAL 195.A N CYS 211.A O no hydrogen 2.902 N/A ASP 196.A N GLU 262.A O no hydrogen 2.855 N/A SER 197.A N GLU 262.A O no hydrogen 3.434 N/A VAL 198.A N ALA 206.A O no hydrogen 3.169 N/A THR 199.A N VAL 260.A O no hydrogen 2.746 N/A ILE 200.A N VAL 203.A O no hydrogen 2.840 N/A VAL 205.A N VAL 198.A O no hydrogen 2.839 N/A ALA 206.A N VAL 198.A O no hydrogen 3.324 N/A CYS 207.A N ASP 228.A OD1 no hydrogen 2.919 N/A CYS 207.A SG VAL 195.A O no hydrogen 3.611 N/A CYS 207.A SG CYS 207.A O no hydrogen 2.984 N/A GLY 210.A N CYS 207.A O no hydrogen 2.913 N/A CYS 211.A N VAL 195.A O no hydrogen 2.708 N/A GLN 212.A NE2 THR 194.A OG1 no hydrogen 2.655 N/A ALA 213.A N PHE 193.A O no hydrogen 2.834 N/A ILE 214.A N TRP 296.A O no hydrogen 2.999 N/A LEU 215.A N TRP 191.A O no hydrogen 3.122 N/A ASP 216.A N LEU 298.A O no hydrogen 3.207 N/A THR 217.A N THR 35.A OG1 no hydrogen 3.016 N/A THR 217.A OG1 PHE 33.A O no hydrogen 2.815 N/A GLY 218.A N ASP 216.A OD1 no hydrogen 2.597 N/A THR 219.A N ASP 216.A O no hydrogen 3.027 N/A THR 219.A OG1 ASP 216.A OD2 no hydrogen 2.896 N/A SER 220.A OG SER 14.A O no hydrogen 3.388 N/A SER 220.A OG SER 14.A OG no hydrogen 2.774 N/A LYS 221.A NZ GLU 245.A OE1 no hydrogen 3.234 N/A LYS 221.A NZ SER 285.A O no hydrogen 3.456 N/A LYS 221.A NZ GLN 288.A OE1 no hydrogen 3.179 N/A LEU 222.A N GLY 286.A O no hydrogen 2.988 N/A VAL 223.A N ILE 297.A O no hydrogen 2.752 N/A GLY 224.A N GLN 288.A O no hydrogen 2.985 N/A SER 226.A N GLU 290.A O no hydrogen 3.052 N/A SER 226.A OG GLU 290.A O no hydrogen 3.231 N/A SER 226.A OG HIS 292.A ND1 no hydrogen 2.571 N/A ILE 229.A N PRO 225.A O no hydrogen 2.864 N/A LEU 230.A N SER 226.A O no hydrogen 3.064 N/A ASN 231.A N ASP 228.A O no hydrogen 2.964 N/A ASN 231.A ND2 VAL 205.A O no hydrogen 3.527 N/A ILE 232.A N ASP 228.A O no hydrogen 3.156 N/A GLN 233.A N ILE 229.A O no hydrogen 2.790 N/A GLN 233.A NE2 SER 285.A OG no hydrogen 2.858 N/A GLN 234.A N LEU 230.A O no hydrogen 3.018 N/A ALA 235.A N ASN 231.A O no hydrogen 3.126 N/A ILE 236.A N ILE 232.A O no hydrogen 3.025 N/A GLY 237.A N GLN 234.A O no hydrogen 2.894 N/A ALA 238.A N GLN 233.A O no hydrogen 2.762 N/A THR 239.A N ASP 247.A O no hydrogen 2.989 N/A ASN 241.A N GLU 245.A O no hydrogen 2.453 N/A GLY 244.A N ASN 241.A O no hydrogen 3.028 N/A ASP 247.A N THR 239.A O no hydrogen 2.835 N/A ILE 248.A N CYS 283.A O no hydrogen 2.886 N/A ASN 252.A N ASP 249.A O no hydrogen 3.132 N/A TYR 255.A N ASN 252.A O no hydrogen 3.194 N/A VAL 259.A N LEU 270.A O no hydrogen 2.937 N/A VAL 260.A N THR 199.A O no hydrogen 2.858 N/A PHE 261.A N TYR 268.A O no hydrogen 3.016 N/A GLU 262.A N SER 197.A O no hydrogen 2.821 N/A ILE 263.A N LYS 266.A O no hydrogen 2.670 N/A GLY 265.A N ASP 196.A OD2 no hydrogen 3.032 N/A LYS 266.A N ILE 263.A O no hydrogen 2.933 N/A TYR 268.A N PHE 261.A O no hydrogen 2.491 N/A TYR 268.A OH HIS 181.A ND1 no hydrogen 2.671 N/A LEU 270.A N VAL 259.A O no hydrogen 2.853 N/A THR 271.A OG1 SER 273.A OG no hydrogen 3.317 N/A SER 273.A OG THR 271.A OG1 no hydrogen 3.317 N/A TYR 275.A N THR 271.A O no hydrogen 2.936 N/A TYR 275.A OH PRO 257.A O no hydrogen 2.682 N/A THR 276.A OG1 PRO 272.A O no hydrogen 2.611 N/A SER 277.A N THR 284.A O no hydrogen 2.783 N/A ASP 279.A N PHE 282.A O no hydrogen 2.842 N/A PHE 282.A N ASP 279.A O no hydrogen 3.248 N/A THR 284.A N SER 277.A O no hydrogen 2.714 N/A SER 285.A N PHE 246.A O no hydrogen 2.836 N/A GLY 286.A N TYR 275.A O no hydrogen 2.602 N/A PHE 287.A N SER 285.A OG no hydrogen 3.219 N/A GLN 288.A N LEU 222.A O no hydrogen 2.870 N/A GLU 290.A N GLY 224.A O no hydrogen 2.733 N/A HIS 292.A ND1 HIS 292.A O no hydrogen 2.708 N/A TRP 296.A N GLN 212.A O no hydrogen 2.901 N/A ILE 297.A N VAL 223.A O no hydrogen 2.450 N/A LEU 298.A N ILE 214.A O no hydrogen 2.795 N/A GLY 299.A N LYS 221.A O no hydrogen 3.068 N/A ASP 300.A N THR 219.A O no hydrogen 2.534 N/A VAL 301.A N SER 220.A O no hydrogen 3.053 N/A PHE 302.A N GLY 299.A O no hydrogen 3.270 N/A ILE 303.A N GLY 299.A O no hydrogen 3.356 N/A ARG 304.A N ASP 300.A O no hydrogen 2.827 N/A ARG 304.A NH1 ASP 13.A O no hydrogen 2.989 N/A ARG 304.A NH1 TYR 16.A OH no hydrogen 3.055 N/A GLU 305.A N PHE 302.A O no hydrogen 3.042 N/A TYR 306.A N PHE 302.A O no hydrogen 3.041 N/A TYR 306.A OH PRO 269.A O no hydrogen 2.943 N/A SER 308.A N VAL 155.A O no hydrogen 3.309 N/A SER 308.A OG TYR 306.A O no hydrogen 2.927 N/A VAL 309.A N GLY 318.A O no hydrogen 2.669 N/A PHE 310.A N PHE 153.A O no hydrogen 2.661 N/A ASP 311.A N LEU 316.A O no hydrogen 3.035 N/A ARG 312.A N ASP 151.A O no hydrogen 2.806 N/A ARG 312.A NH2 ASP 140.A OD1 no hydrogen 2.842 N/A ARG 312.A NH2 ASP 140.A OD2 no hydrogen 3.498 N/A ALA 313.A N ASP 151.A O no hydrogen 3.177 N/A ASN 314.A N ASP 311.A OD1 no hydrogen 2.929 N/A ASN 315.A ND2 TYR 127.A OH no hydrogen 2.638 N/A LEU 316.A N ASP 311.A O no hydrogen 3.124 N/A VAL 317.A N VAL 183.A O no hydrogen 2.766 N/A GLY 318.A N VAL 309.A O no hydrogen 2.920 N/A LEU 319.A N HIS 181.A O no hydrogen 2.528 N/A ALA 320.A N TYR 307.A O no hydrogen 2.888 N/A LYS 321.A NZ GLU 305.A O no hydrogen 2.858 N/A LYS 321.A NZ GLU 305.A OE1 no hydrogen 2.987 N/A LYS 321.A NZ ALA 322.A O no hydrogen 3.436 N/A ALA 322.A N GLU 305.A O no hydrogen 2.742 N/A ILE 323.A N TYR 175.A O no hydrogen 3.237 N/A