Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ck3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N LYS 38.A O no hydrogen 2.704 N/A ASP 6.A N PHE 207.A O no hydrogen 2.744 N/A ILE 7.A N SER 40.A O no hydrogen 2.976 N/A PHE 8.A N LEU 209.A O no hydrogen 2.652 N/A VAL 9.A N TYR 42.A O no hydrogen 3.199 N/A VAL 12.A N GLU 17.A OE1 no hydrogen 3.068 N/A ASP 13.A N GLU 17.A OE1 no hydrogen 3.041 N/A LEU 15.A N ASP 13.A OD1 no hydrogen 2.870 N/A GLU 17.A N ASP 13.A O no hydrogen 2.826 N/A THR 22.A N PRO 18.A O no hydrogen 3.080 N/A THR 22.A OG1 PRO 19.A O no hydrogen 3.164 N/A ALA 23.A N PRO 19.A O no hydrogen 2.417 N/A ASN 24.A N LEU 20.A O no hydrogen 3.014 N/A ASN 24.A ND2 LEU 20.A O no hydrogen 2.851 N/A ASN 24.A ND2 TYR 110.A OH no hydrogen 3.077 N/A THR 25.A N VAL 21.A O no hydrogen 3.305 N/A THR 25.A OG1 CYS 213.A O no hydrogen 2.761 N/A VAL 26.A N THR 22.A O no hydrogen 3.004 N/A LEU 27.A N ALA 23.A O no hydrogen 2.907 N/A SER 28.A N ASN 24.A O no hydrogen 2.968 N/A SER 28.A OG THR 25.A O no hydrogen 2.879 N/A ILE 29.A N THR 25.A O no hydrogen 3.011 N/A LEU 30.A N VAL 26.A O no hydrogen 2.746 N/A ALA 31.A N LEU 27.A O no hydrogen 3.016 N/A VAL 32.A N ILE 29.A O no hydrogen 3.214 N/A ASP 33.A N SER 220.A O no hydrogen 2.854 N/A TYR 34.A OH ALA 3.A O no hydrogen 2.824 N/A LYS 38.A N PRO 35.A O no hydrogen 2.867 N/A VAL 39.A N VAL 36.A O no hydrogen 3.430 N/A SER 40.A N VAL 5.A O no hydrogen 3.169 N/A SER 40.A OG ASP 6.A OD1 no hydrogen 3.403 N/A CYS 41.A N ARG 171.A O no hydrogen 3.016 N/A TYR 42.A N ILE 7.A O no hydrogen 3.084 N/A VAL 43.A N VAL 173.A O no hydrogen 2.823 N/A SER 44.A N VAL 9.A O no hydrogen 2.922 N/A ASP 45.A N VAL 175.A O no hydrogen 3.127 N/A ASP 46.A N THR 11.A O no hydrogen 2.749 N/A GLY 47.A N ASP 45.A OD2 no hydrogen 3.103 N/A ALA 48.A N ASP 45.A O no hydrogen 2.985 N/A ALA 49.A N ASP 45.A OD1 no hydrogen 2.579 N/A PHE 53.A N ALA 49.A O no hydrogen 2.951 N/A GLU 54.A N MET 50.A O no hydrogen 2.675 N/A SER 55.A N LEU 51.A O no hydrogen 2.981 N/A SER 55.A OG LEU 51.A O no hydrogen 2.510 N/A LEU 56.A N SER 52.A O no hydrogen 2.957 N/A ALA 57.A N PHE 53.A O no hydrogen 2.986 N/A GLU 58.A N GLU 54.A O no hydrogen 2.866 N/A THR 59.A N SER 55.A O no hydrogen 2.825 N/A THR 59.A OG1 SER 55.A O no hydrogen 2.822 N/A SER 60.A N LEU 56.A O no hydrogen 2.826 N/A SER 60.A OG ALA 57.A O no hydrogen 2.835 N/A GLU 61.A N ALA 57.A O no hydrogen 2.751 N/A PHE 62.A N GLU 58.A O no hydrogen 2.734 N/A ALA 63.A N THR 59.A O no hydrogen 2.756 N/A ARG 64.A N GLU 61.A O no hydrogen 3.172 N/A ARG 64.A NE LEU 162.A O no hydrogen 2.792 N/A ARG 64.A NH1 GLU 61.A OE1 no hydrogen 2.881 N/A LYS 65.A N PHE 62.A O no hydrogen 2.823 N/A TRP 66.A N PHE 62.A O no hydrogen 3.066 N/A TRP 66.A NE1 ARG 78.A O no hydrogen 3.059 N/A VAL 67.A N ALA 63.A O no hydrogen 2.984 N/A PHE 69.A N LYS 65.A O no hydrogen 3.486 N/A CYS 70.A N TRP 66.A O no hydrogen 2.886 N/A CYS 70.A SG TRP 66.A O no hydrogen 3.327 N/A LYS 71.A N VAL 67.A O no hydrogen 2.876 N/A LYS 72.A N PRO 68.A O no hydrogen 2.725 N/A TYR 73.A N PHE 69.A O no hydrogen 3.108 N/A TYR 73.A OH SER 98.A OG no hydrogen 3.017 N/A TYR 73.A OH ASP 102.A OD2 no hydrogen 2.380 N/A ILE 75.A N CYS 70.A O no hydrogen 3.028 N/A ARG 78.A NE ILE 75.A O no hydrogen 2.634 N/A ARG 78.A NH1 ALA 31.A O no hydrogen 2.466 N/A ARG 78.A NH2 GLU 76.A OE2 no hydrogen 3.453 N/A GLU 81.A N ASN 24.A OD1 no hydrogen 2.952 N/A TYR 83.A N ALA 79.A O no hydrogen 3.052 N/A PHE 84.A N PRO 80.A O no hydrogen 2.635 N/A ALA 85.A N TRP 82.A O no hydrogen 3.008 N/A ALA 86.A N TYR 83.A O no hydrogen 2.847 N/A LEU 91.A N ASP 89.A OD1 no hydrogen 2.939 N/A SER 98.A OG TYR 73.A OH no hydrogen 3.017 N/A PHE 99.A N THR 97.A OG1 no hydrogen 3.255 N/A VAL 100.A N THR 97.A O no hydrogen 3.372 N/A ASP 102.A N SER 98.A O no hydrogen 2.786 N/A ARG 103.A N PHE 99.A O no hydrogen 2.644 N/A ARG 103.A NE TYR 83.A OH no hydrogen 2.871 N/A ARG 104.A N VAL 100.A O no hydrogen 3.070 N/A ALA 105.A N LYS 101.A O no hydrogen 3.017 N/A MET 106.A N ASP 102.A O no hydrogen 2.934 N/A LYS 107.A N ARG 103.A O no hydrogen 2.947 N/A ARG 108.A N ARG 104.A O no hydrogen 3.139 N/A GLU 109.A N ALA 105.A O no hydrogen 2.591 N/A TYR 110.A N MET 106.A O no hydrogen 2.712 N/A TYR 110.A OH GLU 81.A OE2 no hydrogen 2.909 N/A GLU 111.A N LYS 107.A O no hydrogen 3.027 N/A GLU 112.A N ARG 108.A O no hydrogen 2.966 N/A PHE 113.A N GLU 109.A O no hydrogen 2.919 N/A LYS 114.A N TYR 110.A O no hydrogen 2.887 N/A ILE 115.A N GLU 111.A O no hydrogen 3.009 N/A ARG 116.A N GLU 112.A O no hydrogen 2.902 N/A ARG 116.A NE GLU 58.A OE2 no hydrogen 3.013 N/A ILE 117.A N PHE 113.A O no hydrogen 2.741 N/A ASN 118.A N LYS 114.A O no hydrogen 2.619 N/A ALA 119.A N ILE 115.A O no hydrogen 2.889 N/A LEU 120.A N ARG 116.A O no hydrogen 3.174 N/A VAL 121.A N ILE 117.A O no hydrogen 3.025 N/A SER 122.A N ASN 118.A O no hydrogen 2.859 N/A LYS 123.A N ALA 119.A O no hydrogen 3.220 N/A LYS 123.A NZ GLU 54.A OE2 no hydrogen 3.388 N/A LYS 123.A NZ GLN 135.A OE1 no hydrogen 3.201 N/A ALA 124.A N LEU 120.A O no hydrogen 2.904 N/A CYS 127.A SG LEU 125.A O no hydrogen 3.017 N/A TRP 132.A N ASN 143.A OD1 no hydrogen 2.359 N/A MET 134.A N THR 138.A O no hydrogen 2.816 N/A GLY 137.A N MET 134.A O no hydrogen 2.952 N/A THR 138.A OG1 ASP 136.A OD1 no hydrogen 3.215 N/A TRP 140.A N TRP 132.A O no hydrogen 2.933 N/A TRP 140.A NE1 ALA 48.A O no hydrogen 2.599 N/A ARG 146.A N ASN 144.A OD1 no hydrogen 2.597 N/A HIS 148.A N LYS 179.A O no hydrogen 2.720 N/A HIS 148.A ND1 PRO 149.A O no hydrogen 2.743 N/A MET 151.A N SER 176.A O no hydrogen 2.946 N/A GLN 153.A N TYR 174.A O no hydrogen 3.056 N/A GLN 153.A NE2 VAL 154.A O no hydrogen 3.694 N/A PHE 155.A N LEU 172.A O no hydrogen 2.481 N/A GLY 157.A N PRO 170.A O no hydrogen 3.362 N/A GLY 160.A N LEU 156.A O no hydrogen 2.772 N/A ASP 163.A N ASN 167.A O no hydrogen 2.921 N/A ALA 164.A N ARG 64.A O no hydrogen 3.100 N/A GLY 166.A N ASP 163.A O no hydrogen 2.687 N/A ASN 167.A N ASP 163.A OD1 no hydrogen 2.751 N/A LEU 172.A N PHE 155.A O no hydrogen 2.920 N/A VAL 173.A N CYS 41.A O no hydrogen 2.818 N/A TYR 174.A N GLN 153.A O no hydrogen 2.767 N/A TYR 174.A OH ASP 45.A OD1 no hydrogen 2.450 N/A VAL 175.A N VAL 43.A O no hydrogen 2.865 N/A SER 176.A N MET 151.A O no hydrogen 3.007 N/A SER 176.A OG ASP 45.A O no hydrogen 2.535 N/A ARG 177.A NE ASP 46.A OD1 no hydrogen 3.011 N/A ARG 177.A NE ASP 46.A OD2 no hydrogen 3.113 N/A ARG 177.A NH1 HIS 185.A O no hydrogen 2.854 N/A ARG 177.A NH2 ASP 46.A OD1 no hydrogen 3.281 N/A ARG 177.A NH2 HIS 185.A O no hydrogen 2.639 N/A GLU 178.A N ILE 309.A O no hydrogen 3.174 N/A LYS 179.A N HIS 148.A O no hydrogen 3.084 N/A LYS 179.A NZ ASP 46.A OD2 no hydrogen 2.643 N/A ARG 180.A NE GLU 178.A OE2 no hydrogen 2.938 N/A ARG 180.A NH1 ASP 147.A OD1 no hydrogen 2.357 N/A PHE 183.A N ARG 180.A O no hydrogen 3.125 N/A LYS 187.A N HIS 185.A ND1 no hydrogen 3.030 N/A GLY 190.A N HIS 186.A O no hydrogen 2.580 N/A ALA 191.A N LYS 187.A O no hydrogen 2.863 N/A MET 192.A N ALA 189.A O no hydrogen 2.902 N/A ASN 193.A N ALA 189.A O no hydrogen 2.955 N/A ASN 193.A ND2 TRP 325.A O no hydrogen 3.226 N/A ALA 194.A N GLY 190.A O no hydrogen 3.075 N/A LEU 195.A N ALA 191.A O no hydrogen 2.845 N/A VAL 196.A N MET 192.A O no hydrogen 2.759 N/A ARG 197.A N ASN 193.A O no hydrogen 2.925 N/A ARG 197.A NE VAL 308.A O no hydrogen 2.942 N/A ARG 197.A NH1 GLU 314.A OE1 no hydrogen 2.741 N/A ARG 197.A NH2 VAL 308.A O no hydrogen 3.132 N/A ARG 197.A NH2 GLU 314.A OE1 no hydrogen 3.041 N/A VAL 198.A N ALA 194.A O no hydrogen 2.835 N/A SER 199.A N LEU 195.A O no hydrogen 3.086 N/A SER 199.A OG LEU 195.A O no hydrogen 2.965 N/A SER 199.A OG VAL 196.A O no hydrogen 3.177 N/A ALA 200.A N ARG 197.A O no hydrogen 3.009 N/A VAL 201.A N ARG 197.A O no hydrogen 3.171 N/A VAL 201.A N VAL 198.A O no hydrogen 3.156 N/A LEU 202.A N VAL 198.A O no hydrogen 3.134 N/A ASN 204.A ND2 GLY 291.A O no hydrogen 3.376 N/A GLY 205.A N ASP 6.A OD2 no hydrogen 2.663 N/A ILE 208.A N PHE 261.A O no hydrogen 2.922 N/A LEU 209.A N ASP 6.A O no hydrogen 2.888 N/A LEU 211.A N PHE 8.A O no hydrogen 2.746 N/A CYS 213.A SG GLU 17.A OE2 no hydrogen 3.761 N/A HIS 215.A N ASP 212.A O no hydrogen 2.643 N/A ILE 217.A N SER 28.A OG no hydrogen 2.777 N/A SER 220.A N GLU 76.A OE1 no hydrogen 2.715 N/A SER 220.A OG GLU 76.A OE1 no hydrogen 2.498 N/A LYS 221.A N ASN 219.A OD1 no hydrogen 2.788 N/A ALA 222.A N ASN 219.A O no hydrogen 2.826 N/A ARG 224.A NE ASP 33.A OD1 no hydrogen 2.976 N/A ARG 224.A NH2 ASP 33.A OD1 no hydrogen 3.103 N/A GLU 225.A N LYS 221.A O no hydrogen 3.100 N/A ALA 226.A N ALA 222.A O no hydrogen 2.815 N/A MET 227.A N LEU 223.A O no hydrogen 2.802 N/A CYS 228.A N ARG 224.A O no hydrogen 3.061 N/A CYS 228.A SG ARG 224.A O no hydrogen 3.887 N/A CYS 228.A SG GLU 225.A O no hydrogen 3.651 N/A PHE 229.A N GLU 225.A O no hydrogen 3.210 N/A PHE 229.A N ALA 226.A O no hydrogen 3.074 N/A LEU 230.A N ALA 226.A O no hydrogen 2.766 N/A LEU 230.A N MET 227.A O no hydrogen 3.105 N/A VAL 239.A N PHE 247.A O no hydrogen 3.430 N/A ASN 244.A ND2 TYR 241.A O no hydrogen 2.775 N/A VAL 246.A N CYS 350.A O no hydrogen 3.079 N/A PHE 248.A N ILE 348.A O no hydrogen 2.744 N/A GLY 256.A N LEU 367.A O no hydrogen 2.940 N/A THR 257.A OG1 ASP 212.A OD1 no hydrogen 3.171 N/A THR 257.A OG1 ASP 212.A OD2 no hydrogen 2.856 N/A GLY 258.A N ASN 210.A O no hydrogen 2.629 N/A CYS 259.A SG THR 257.A O no hydrogen 3.724 N/A CYS 259.A SG ALA 366.A O no hydrogen 3.718 N/A VAL 260.A N TYR 349.A O no hydrogen 2.989 N/A PHE 261.A N ILE 208.A O no hydrogen 3.143 N/A ARG 263.A N PRO 206.A O no hydrogen 2.454 N/A ARG 263.A NE TYR 267.A OH no hydrogen 2.993 N/A ARG 263.A NH1 ASP 6.A OD2 no hydrogen 2.791 N/A ARG 263.A NH1 GLY 205.A O no hydrogen 2.851 N/A ARG 263.A NH2 VAL 196.A O no hydrogen 2.772 N/A ARG 263.A NH2 SER 199.A OG no hydrogen 2.438 N/A ALA 265.A N ASN 262.A O no hydrogen 3.359 N/A LEU 266.A N ARG 263.A O no hydrogen 2.965 N/A TYR 267.A N THR 264.A O no hydrogen 3.072 N/A SER 278.A OG GLU 304.A OE1 no hydrogen 2.436 N/A PHE 281.A N SER 278.A OG no hydrogen 3.129 N/A VAL 282.A N SER 278.A O no hydrogen 3.101 N/A ALA 283.A N ALA 279.A O no hydrogen 2.816 N/A SER 284.A N VAL 280.A O no hydrogen 3.125 N/A SER 284.A OG PHE 281.A O no hydrogen 2.565 N/A THR 285.A N PHE 281.A O no hydrogen 3.007 N/A THR 285.A OG1 PHE 281.A O no hydrogen 3.369 N/A LEU 286.A N VAL 282.A O no hydrogen 3.245 N/A LEU 286.A N ALA 283.A O no hydrogen 2.811 N/A ASN 289.A ND2 PRO 271.A O no hydrogen 3.645 N/A GLY 290.A N GLU 288.A OE1 no hydrogen 2.626 N/A GLY 291.A N ASN 204.A O no hydrogen 2.701 N/A ALA 296.A N PRO 293.A O no hydrogen 2.934 N/A THR 297.A OG1 GLU 299.A OE1 no hydrogen 2.888 N/A GLU 299.A N GLU 299.A OE1 no hydrogen 2.369 N/A ASN 300.A N THR 297.A OG1 no hydrogen 2.743 N/A LEU 301.A N THR 297.A O no hydrogen 2.919 N/A LEU 302.A N PRO 298.A O no hydrogen 3.166 N/A LYS 303.A N GLU 299.A O no hydrogen 3.090 N/A GLU 304.A N ASN 300.A O no hydrogen 3.047 N/A ALA 305.A N LEU 301.A O no hydrogen 2.915 N/A ILE 306.A N LEU 302.A O no hydrogen 3.164 N/A HIS 307.A N LYS 303.A O no hydrogen 3.189 N/A VAL 308.A N GLU 304.A O no hydrogen 2.784 N/A VAL 308.A N ALA 305.A O no hydrogen 3.080 N/A ILE 309.A N ALA 305.A O no hydrogen 3.218 N/A SER 310.A N HIS 307.A O no hydrogen 3.184 N/A SER 310.A OG HIS 307.A O no hydrogen 2.361 N/A CYS 311.A N GLU 178.A OE1 no hydrogen 2.816 N/A CYS 311.A SG GLU 178.A O no hydrogen 3.750 N/A TYR 313.A N SER 310.A O no hydrogen 3.193 N/A TYR 313.A OH PHE 275.A O no hydrogen 2.527 N/A ASP 315.A N GLY 312.A O no hydrogen 3.095 N/A SER 317.A N GLU 314.A O no hydrogen 2.898 N/A SER 317.A OG GLU 314.A O no hydrogen 2.536 N/A TRP 319.A NE1 PHE 275.A O no hydrogen 3.059 N/A TRP 325.A N ASN 193.A OD1 no hydrogen 3.403 N/A THR 331.A OG1 VAL 330.A O no hydrogen 2.321 N/A ASP 333.A N GLY 328.A O no hydrogen 3.227 N/A PHE 338.A N VAL 255.A O no hydrogen 2.942 N/A LYS 339.A NZ GLU 322.A O no hydrogen 2.403 N/A MET 340.A N VAL 253.A O no hydrogen 3.235 N/A GLY 344.A N ALA 342.A O no hydrogen 2.728 N/A ARG 346.A NH1 TYR 269.A O no hydrogen 3.473 N/A SER 347.A OG LEU 230.A O no hydrogen 3.251 N/A TYR 349.A N VAL 260.A O no hydrogen 3.132 N/A MET 351.A N GLY 258.A O no hydrogen 3.059 N/A ASN 354.A ND2 ASP 357.A OD1 no hydrogen 3.235 N/A ARG 358.A N ASN 354.A O no hydrogen 2.939 N/A LEU 359.A N LEU 355.A O no hydrogen 2.928 N/A ASN 360.A N SER 356.A O no hydrogen 2.710 N/A GLN 361.A N ASP 357.A O no hydrogen 2.905 N/A LEU 363.A N LEU 359.A O no hydrogen 3.121 N/A ARG 364.A N VAL 362.A O no hydrogen 2.667 N/A TRP 365.A N GLN 361.A O no hydrogen 3.171 N/A TRP 365.A NE1 LYS 353.A O no hydrogen 3.128 N/A ALA 366.A N VAL 362.A O no hydrogen 2.970 N/A LEU 367.A N ARG 364.A O no hydrogen 3.348 N/A GLY 368.A N TRP 365.A O no hydrogen 3.086 N/A