Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1x1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N SER 1.A O no hydrogen 3.064 N/A ASN 7.A N ASP 4.A O no hydrogen 3.091 N/A TYR 8.A N ASP 4.A O no hydrogen 3.168 N/A TYR 9.A N LEU 5.A O no hydrogen 3.014 N/A HIS 10.A N LEU 6.A O no hydrogen 3.451 N/A HIS 10.A ND1 LEU 6.A O no hydrogen 2.707 N/A ARG 11.A N ASN 7.A O no hydrogen 3.003 N/A ARG 11.A NH1 GLU 14.A OE2 no hydrogen 3.054 N/A ALA 12.A N TYR 8.A O no hydrogen 2.858 N/A ASN 13.A N TYR 9.A O no hydrogen 3.103 N/A GLU 14.A N HIS 10.A O no hydrogen 3.011 N/A LEU 15.A N ARG 11.A O no hydrogen 3.097 N/A VAL 16.A N ALA 12.A O no hydrogen 3.079 N/A PHE 17.A N ASN 13.A O no hydrogen 2.930 N/A LYS 18.A N ASN 13.A O no hydrogen 3.197 N/A GLY 19.A N GLU 14.A O no hydrogen 3.209 N/A ILE 21.A N PHE 17.A O no hydrogen 2.818 N/A GLU 22.A N LYS 18.A O no hydrogen 2.877 N/A PHE 23.A N GLY 19.A O no hydrogen 3.007 N/A SER 24.A N LEU 20.A O no hydrogen 2.834 N/A SER 24.A OG LEU 20.A O no hydrogen 2.913 N/A CYS 25.A N ILE 21.A O no hydrogen 3.007 N/A CYS 25.A SG ILE 21.A O no hydrogen 3.346 N/A MET 26.A N GLU 22.A O no hydrogen 3.071 N/A LYS 27.A N PHE 23.A O no hydrogen 2.650 N/A LYS 27.A NZ GLU 31.A OE2 no hydrogen 2.771 N/A LYS 27.A NZ ASP 112.A OD1 no hydrogen 3.568 N/A LYS 27.A NZ ASP 112.A OD2 no hydrogen 2.939 N/A ALA 28.A N SER 24.A O no hydrogen 2.883 N/A ALA 29.A N CYS 25.A O no hydrogen 2.946 N/A ILE 30.A N MET 26.A O no hydrogen 2.988 N/A GLU 31.A N LYS 27.A O no hydrogen 2.946 N/A LEU 32.A N ALA 28.A O no hydrogen 2.731 N/A ASP 33.A N ILE 30.A O no hydrogen 2.937 N/A LEU 34.A N ALA 29.A O no hydrogen 2.715 N/A HIS 37.A N ASP 33.A O no hydrogen 3.381 N/A HIS 37.A ND1 ASP 33.A O no hydrogen 3.176 N/A MET 38.A N LEU 34.A O no hydrogen 2.954 N/A ALA 39.A N PHE 35.A O no hydrogen 2.813 N/A GLU 40.A N HIS 37.A O no hydrogen 3.263 N/A GLY 41.A N MET 38.A O no hydrogen 3.264 N/A LYS 43.A N TRP 79.A O no hydrogen 2.921 N/A LYS 43.A NZ HIS 37.A O no hydrogen 2.707 N/A LYS 43.A NZ ASP 51.A OD2 no hydrogen 3.344 N/A THR 47.A N ASP 44.A OD1 no hydrogen 2.632 N/A THR 47.A OG1 ASP 44.A OD1 no hydrogen 2.629 N/A THR 47.A OG1 ASP 44.A OD2 no hydrogen 3.252 N/A LEU 48.A N ASP 44.A O no hydrogen 2.999 N/A ALA 49.A N LEU 45.A O no hydrogen 2.797 N/A ALA 50.A N ALA 46.A O no hydrogen 3.095 N/A ALA 50.A N THR 47.A O no hydrogen 3.021 N/A ASP 51.A N THR 47.A O no hydrogen 2.869 N/A THR 52.A N LEU 48.A O no hydrogen 2.954 N/A THR 52.A OG1 LEU 48.A O no hydrogen 2.732 N/A THR 52.A OG1 SER 54.A OG no hydrogen 2.448 N/A SER 54.A N ALA 49.A O no hydrogen 2.893 N/A SER 54.A OG THR 52.A OG1 no hydrogen 2.448 N/A LEU 59.A N VAL 55.A O no hydrogen 2.880 N/A GLU 60.A N PRO 56.A O no hydrogen 3.027 N/A MET 61.A N ARG 58.A O no hydrogen 3.207 N/A LEU 62.A N LEU 59.A O no hydrogen 3.001 N/A LEU 63.A N LEU 59.A O no hydrogen 2.904 N/A GLU 64.A N GLU 60.A O no hydrogen 2.952 N/A THR 65.A N MET 61.A O no hydrogen 3.239 N/A THR 65.A N LEU 62.A O no hydrogen 2.864 N/A THR 65.A OG1 MET 61.A O no hydrogen 2.712 N/A LEU 66.A N LEU 62.A O no hydrogen 2.797 N/A ARG 67.A N LEU 63.A O no hydrogen 2.838 N/A GLN 68.A N GLU 64.A O no hydrogen 3.230 N/A GLN 68.A NE2 GLU 64.A OE1 no hydrogen 2.564 N/A MET 69.A N THR 65.A O no hydrogen 2.980 N/A ARG 70.A N ARG 67.A O no hydrogen 2.720 N/A VAL 71.A N LEU 66.A O no hydrogen 2.942 N/A ASN 73.A N SER 80.A O no hydrogen 2.812 N/A GLU 75.A N LYS 78.A O no hydrogen 2.780 N/A LYS 78.A N GLU 75.A O no hydrogen 3.300 N/A TRP 79.A N LYS 43.A O no hydrogen 2.674 N/A SER 80.A N ASN 73.A O no hydrogen 3.067 N/A THR 82.A N VAL 71.A O no hydrogen 3.058 N/A THR 82.A OG1 VAL 71.A O no hydrogen 2.420 N/A ALA 85.A N THR 82.A OG1 no hydrogen 3.197 N/A ASP 86.A N THR 82.A O no hydrogen 2.936 N/A TYR 87.A N GLU 83.A O no hydrogen 3.127 N/A TYR 87.A N PHE 84.A O no hydrogen 3.144 N/A MET 88.A N PHE 84.A O no hydrogen 2.784 N/A PHE 89.A N ALA 85.A O no hydrogen 2.706 N/A SER 90.A OG ASP 86.A O no hydrogen 2.577 N/A SER 90.A OG ASP 86.A OD1 no hydrogen 3.169 N/A LYS 94.A NZ ASP 86.A O no hydrogen 2.860 N/A ASN 97.A N GLU 95.A OE2 no hydrogen 2.947 N/A ASN 97.A ND2 ARG 150.A O no hydrogen 2.917 N/A ASN 97.A ND2 ASP 181.A OD2 no hydrogen 3.393 N/A LEU 98.A N GLU 95.A O no hydrogen 2.730 N/A HIS 99.A N SER 151.A O no hydrogen 2.842 N/A HIS 99.A NE2 SER 90.A O no hydrogen 2.724 N/A GLN 100.A N MET 88.A O no hydrogen 2.831 N/A THR 101.A N MET 88.A O no hydrogen 3.288 N/A THR 101.A OG1 SER 90.A O no hydrogen 2.907 N/A ALA 104.A N GLN 100.A O no hydrogen 2.907 N/A LYS 105.A N THR 101.A O no hydrogen 3.007 N/A ALA 106.A N PRO 102.A O no hydrogen 3.240 N/A MET 107.A N VAL 103.A O no hydrogen 2.847 N/A ALA 108.A N ALA 104.A O no hydrogen 2.894 N/A PHE 109.A N LYS 105.A O no hydrogen 3.115 N/A LEU 110.A N ALA 106.A O no hydrogen 2.867 N/A ALA 111.A N MET 107.A O no hydrogen 2.864 N/A ASP 113.A N PHE 109.A O no hydrogen 3.057 N/A PHE 114.A N LEU 110.A O no hydrogen 2.688 N/A TYR 115.A N LEU 110.A O no hydrogen 3.094 N/A TYR 115.A OH SER 288.A O no hydrogen 3.056 N/A MET 116.A N ALA 111.A O no hydrogen 3.006 N/A GLY 117.A N PHE 114.A O no hydrogen 2.840 N/A LEU 118.A N TYR 115.A O no hydrogen 3.066 N/A GLN 120.A N GLY 117.A O no hydrogen 2.882 N/A ALA 121.A N GLY 117.A O no hydrogen 3.194 N/A VAL 122.A N LEU 118.A O no hydrogen 2.978 N/A ARG 123.A N SER 119.A O no hydrogen 3.110 N/A GLY 124.A N ALA 121.A O no hydrogen 2.884 N/A LYS 126.A N GLN 120.A O no hydrogen 3.364 N/A LYS 126.A NZ ASP 113.A O no hydrogen 2.784 N/A LYS 126.A NZ ASN 127.A O no hydrogen 3.444 N/A ASN 127.A ND2 LYS 126.A O no hydrogen 2.861 N/A GLY 130.A N ASP 113.A OD1 no hydrogen 3.466 N/A ARG 139.A NH1 GLU 209.A OE2 no hydrogen 3.039 N/A ARG 139.A NH2 GLU 209.A OE1 no hydrogen 3.013 N/A ARG 139.A NH2 GLU 209.A OE2 no hydrogen 3.495 N/A ASP 141.A N THR 138.A OG1 no hydrogen 3.144 N/A ASN 142.A N THR 138.A O no hydrogen 2.915 N/A ASN 142.A ND2 PRO 136.A O no hydrogen 3.281 N/A ASN 142.A ND2 VAL 137.A O no hydrogen 3.587 N/A ASN 142.A ND2 THR 138.A O no hydrogen 3.204 N/A LEU 143.A N ARG 139.A O no hydrogen 2.719 N/A TYR 144.A N GLU 140.A O no hydrogen 3.023 N/A PHE 145.A N ASP 141.A O no hydrogen 3.444 N/A GLU 146.A N ASN 142.A O no hydrogen 2.997 N/A GLU 147.A N LEU 143.A O no hydrogen 2.966 N/A HIS 149.A N PHE 145.A O no hydrogen 3.025 N/A ARG 150.A N GLU 146.A O no hydrogen 2.922 N/A ARG 150.A NE ASP 181.A OD2 no hydrogen 2.956 N/A ARG 150.A NH1 ASP 181.A OD1 no hydrogen 2.967 N/A ARG 150.A NH1 ASP 181.A OD2 no hydrogen 3.288 N/A SER 151.A N GLU 147.A O no hydrogen 3.222 N/A SER 151.A OG GLU 147.A O no hydrogen 2.459 N/A ASN 152.A N HIS 149.A O no hydrogen 3.371 N/A ALA 153.A N ARG 150.A O no hydrogen 3.274 N/A LYS 154.A N ASN 97.A O no hydrogen 2.984 N/A LYS 154.A NZ GLU 95.A OE1 no hydrogen 3.195 N/A ILE 157.A N ALA 153.A O no hydrogen 2.981 N/A GLN 158.A N LYS 154.A O no hydrogen 2.906 N/A LEU 159.A N PHE 155.A O no hydrogen 3.120 N/A LEU 160.A N ALA 156.A O no hydrogen 3.158 N/A LEU 161.A N ILE 157.A O no hydrogen 2.909 N/A GLU 162.A N GLN 158.A O no hydrogen 3.190 N/A GLU 162.A N LEU 159.A O no hydrogen 3.080 N/A GLU 163.A N LEU 159.A O no hydrogen 2.803 N/A ALA 164.A N LEU 160.A O no hydrogen 2.720 N/A LYS 165.A N GLN 333.A OE1 no hydrogen 2.857 N/A VAL 169.A N LEU 166.A O no hydrogen 2.834 N/A MET 172.A N ASP 194.A O no hydrogen 2.746 N/A ILE 173.A N ALA 237.A O no hydrogen 3.016 N/A ASP 174.A N THR 196.A O no hydrogen 2.919 N/A VAL 175.A N LEU 239.A O no hydrogen 3.027 N/A GLY 176.A N LEU 198.A O no hydrogen 2.998 N/A GLY 177.A N ASP 174.A O no hydrogen 3.216 N/A GLY 180.A N GLY 177.A O no hydrogen 3.300 N/A SER 183.A OG ASP 174.A OD1 no hydrogen 2.637 N/A SER 183.A OG SER 195.A OG no hydrogen 2.978 N/A ALA 184.A N GLY 180.A O no hydrogen 3.102 N/A ALA 185.A N ASP 181.A O no hydrogen 3.255 N/A MET 186.A N ILE 182.A O no hydrogen 3.185 N/A LEU 187.A N SER 183.A O no hydrogen 2.839 N/A LYS 188.A N ALA 185.A O no hydrogen 3.294 N/A LYS 188.A NZ LYS 214.A O no hydrogen 3.125 N/A HIS 189.A N MET 186.A O no hydrogen 2.689 N/A LEU 193.A N PHE 190.A O no hydrogen 2.905 N/A SER 195.A N ARG 219.A O no hydrogen 2.807 N/A SER 195.A OG SER 183.A OG no hydrogen 2.978 N/A THR 196.A N MET 172.A O no hydrogen 2.978 N/A ILE 197.A N ARG 221.A O no hydrogen 2.914 N/A LEU 198.A N ASP 174.A O no hydrogen 2.939 N/A ASN 199.A N ILE 223.A O no hydrogen 3.144 N/A ALA 203.A N LEU 200.A O no hydrogen 2.710 N/A ILE 204.A N PRO 201.A O no hydrogen 3.218 N/A VAL 207.A N ALA 203.A O no hydrogen 2.854 N/A ASN 208.A N ILE 204.A O no hydrogen 2.813 N/A GLU 209.A N ASP 205.A O no hydrogen 2.893 N/A ASN 210.A N LEU 206.A O no hydrogen 3.089 N/A ASN 210.A ND2 ILE 179.A O no hydrogen 2.842 N/A ASN 210.A ND2 ASP 181.A OD1 no hydrogen 2.743 N/A ALA 211.A N VAL 207.A O no hydrogen 2.984 N/A ALA 212.A N ASN 208.A O no hydrogen 2.977 N/A GLU 213.A N GLU 209.A O no hydrogen 2.932 N/A LYS 214.A N ASN 210.A O no hydrogen 3.054 N/A LYS 214.A NZ ASP 181.A OD1 no hydrogen 3.452 N/A LYS 214.A NZ ASN 210.A OD1 no hydrogen 3.084 N/A GLY 215.A N ALA 212.A O no hydrogen 2.953 N/A VAL 216.A N ALA 211.A O no hydrogen 2.719 N/A ARG 219.A N VAL 216.A O no hydrogen 2.885 N/A ARG 219.A NE LEU 193.A O no hydrogen 3.281 N/A ARG 219.A NH1 LEU 187.A O no hydrogen 2.916 N/A ARG 219.A NH1 LEU 193.A O no hydrogen 3.299 N/A ARG 219.A NH2 LEU 187.A O no hydrogen 2.993 N/A MET 220.A N VAL 216.A O no hydrogen 2.795 N/A ARG 221.A N SER 195.A O no hydrogen 3.136 N/A ARG 221.A NH1 ASP 194.A OD1 no hydrogen 2.806 N/A ARG 221.A NH2 ASP 194.A OD1 no hydrogen 3.387 N/A ARG 221.A NH2 ASP 194.A OD2 no hydrogen 2.987 N/A ARG 221.A NH2 ASP 218.A O no hydrogen 3.290 N/A GLY 222.A N ASN 208.A OD1 no hydrogen 2.936 N/A ILE 223.A N ILE 197.A O no hydrogen 2.930 N/A ASP 226.A N GLU 230.A OE2 no hydrogen 3.225 N/A TYR 228.A N ASP 226.A OD2 no hydrogen 2.907 N/A LYS 229.A N ASP 226.A OD2 no hydrogen 2.476 N/A GLU 230.A N ASP 226.A O no hydrogen 2.978 N/A TYR 232.A OH ILE 227.A O no hydrogen 2.701 N/A ASP 236.A N LYS 171.A O no hydrogen 2.667 N/A ALA 237.A N LYS 171.A O no hydrogen 3.166 N/A VAL 238.A N ARG 268.A O no hydrogen 3.105 N/A LEU 239.A N ILE 173.A O no hydrogen 2.906 N/A PHE 240.A N LEU 270.A O no hydrogen 2.853 N/A ARG 242.A N LEU 272.A O no hydrogen 2.638 N/A ARG 242.A NH1 ASN 152.A O no hydrogen 2.991 N/A ARG 242.A NH1 ASN 152.A OD1 no hydrogen 3.421 N/A ARG 242.A NH2 ASN 152.A OD1 no hydrogen 2.714 N/A TYR 245.A OH HIS 289.A ND1 no hydrogen 3.164 N/A ALA 247.A N LEU 244.A O no hydrogen 2.890 N/A GLU 249.A N GLU 249.A OE2 no hydrogen 2.498 N/A SER 252.A N ASN 248.A O no hydrogen 2.507 N/A SER 252.A OG ASN 248.A O no hydrogen 3.010 N/A THR 253.A N GLU 249.A O no hydrogen 3.093 N/A THR 253.A OG1 GLU 249.A O no hydrogen 2.430 N/A ILE 254.A N GLN 250.A O no hydrogen 2.871 N/A ILE 254.A N LEU 251.A O no hydrogen 2.956 N/A MET 255.A N LEU 251.A O no hydrogen 3.125 N/A CYS 256.A N SER 252.A O no hydrogen 3.011 N/A CYS 256.A SG SER 252.A O no hydrogen 3.420 N/A LYS 257.A NZ ASP 261.A OD1 no hydrogen 3.459 N/A LYS 257.A NZ ASP 261.A OD2 no hydrogen 3.314 N/A LYS 258.A N ILE 254.A O no hydrogen 2.848 N/A LYS 258.A NZ TYR 228.A O no hydrogen 2.488 N/A LYS 258.A NZ GLU 230.A O no hydrogen 2.796 N/A ALA 259.A N MET 255.A O no hydrogen 3.097 N/A ASP 261.A N LYS 257.A O no hydrogen 2.693 N/A MET 263.A N PHE 260.A O no hydrogen 3.422 N/A GLY 266.A N LYS 336.A O no hydrogen 2.610 N/A GLY 267.A N ARG 264.A O no hydrogen 3.306 N/A ARG 268.A N ASP 236.A O no hydrogen 3.098 N/A LEU 269.A N ALA 334.A O no hydrogen 2.941 N/A LEU 270.A N VAL 238.A O no hydrogen 2.853 N/A ILE 271.A N VAL 332.A O no hydrogen 3.082 N/A LEU 272.A N PHE 240.A O no hydrogen 2.955 N/A ASP 273.A N LEU 330.A O no hydrogen 2.923 N/A VAL 275.A N ASP 328.A O no hydrogen 2.671 N/A ILE 276.A N GLN 306.A OE1 no hydrogen 3.047 N/A ASN 281.A N ASP 278.A O no hydrogen 2.994 N/A TYR 286.A OH GLY 302.A O no hydrogen 3.421 N/A LEU 287.A N ASN 283.A O no hydrogen 2.908 N/A SER 288.A N PHE 284.A O no hydrogen 2.653 N/A SER 288.A OG PHE 284.A O no hydrogen 3.233 N/A SER 288.A OG ASP 285.A O no hydrogen 2.596 N/A HIS 289.A N TYR 286.A O no hydrogen 3.124 N/A TYR 290.A N TYR 286.A O no hydrogen 2.880 N/A ILE 291.A N LEU 287.A O no hydrogen 2.680 N/A LEU 292.A N HIS 289.A O no hydrogen 3.227 N/A GLY 293.A N TYR 290.A O no hydrogen 3.020 N/A ALA 294.A N ILE 291.A O no hydrogen 2.824 N/A GLY 295.A N LEU 292.A O no hydrogen 2.925 N/A MET 296.A N LEU 292.A O no hydrogen 3.158 N/A SER 299.A N MET 296.A O no hydrogen 3.221 N/A GLY 302.A N SER 246.A O no hydrogen 2.979 N/A LYS 304.A NZ LEU 244.A O no hydrogen 2.966 N/A LYS 304.A NZ TYR 309.A OH no hydrogen 3.337 N/A GLN 306.A NE2 MET 274.A O no hydrogen 2.829 N/A ARG 308.A N GLU 305.A O no hydrogen 3.160 N/A ARG 308.A NH1 GLU 311.A OE1 no hydrogen 3.469 N/A TYR 309.A OH ASP 273.A OD2 no hydrogen 2.293 N/A LYS 310.A N ALA 307.A O no hydrogen 2.901 N/A ILE 312.A N ARG 308.A O no hydrogen 3.245 N/A ILE 312.A N TYR 309.A O no hydrogen 2.728 N/A LEU 313.A N TYR 309.A O no hydrogen 2.950 N/A GLU 314.A N LYS 310.A O no hydrogen 2.932 N/A SER 315.A N GLU 311.A O no hydrogen 2.951 N/A SER 315.A OG GLU 311.A O no hydrogen 2.909 N/A SER 315.A OG ILE 312.A O no hydrogen 2.811 N/A LEU 316.A N LEU 313.A O no hydrogen 3.001 N/A GLY 317.A N LEU 313.A O no hydrogen 3.237 N/A TYR 318.A N LEU 313.A O no hydrogen 2.966 N/A TYR 318.A OH CYS 256.A O no hydrogen 2.529 N/A LYS 319.A N VAL 335.A O no hydrogen 3.004 N/A THR 322.A N GLN 333.A O no hydrogen 2.800 N/A ARG 325.A NH1 ASP 277.A OD2 no hydrogen 2.453 N/A ARG 325.A NH2 ASP 277.A OD1 no hydrogen 2.958 N/A ARG 325.A NH2 ASP 277.A OD2 no hydrogen 2.912 N/A LYS 326.A N HIS 329.A O no hydrogen 2.930 N/A LYS 326.A NZ GLU 162.A OE2 no hydrogen 2.595 N/A TYR 327.A OH GLU 162.A OE1 no hydrogen 2.560 N/A TYR 327.A OH GLU 162.A OE2 no hydrogen 3.049 N/A HIS 329.A N LYS 326.A O no hydrogen 3.084 N/A HIS 329.A ND1 TYR 327.A O no hydrogen 2.650 N/A LEU 330.A N ASP 273.A O no hydrogen 2.819 N/A LEU 331.A N VAL 324.A O no hydrogen 3.002 N/A VAL 332.A N ILE 271.A O no hydrogen 2.940 N/A GLN 333.A N THR 322.A O no hydrogen 3.171 N/A GLN 333.A NE2 GLU 163.A O no hydrogen 2.362 N/A ALA 334.A N LEU 269.A O no hydrogen 3.062 N/A VAL 335.A N LYS 319.A O no hydrogen 2.789 N/A LYS 336.A N GLY 267.A O no hydrogen 2.805 N/A LYS 336.A NZ PHE 260.A O no hydrogen 2.606 N/A LYS 336.A NZ MET 263.A O no hydrogen 2.792 N/A