Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N HIS 7.A ND1 no hydrogen 3.297 N/A HIS 7.A N ARG 4.A O no hydrogen 2.973 N/A MET 8.A N GLY 5.A O no hydrogen 3.495 N/A LEU 9.A N SER 6.A O no hydrogen 3.163 N/A PHE 10.A N LYS 212.A O no hydrogen 2.906 N/A GLN 11.A N GLU 145.A OE2 no hydrogen 2.832 N/A GLN 11.A NE2 SER 6.A O no hydrogen 3.594 N/A GLN 11.A NE2 LEU 9.A O no hydrogen 3.101 N/A ASN 12.A N GLU 145.A OE1 no hydrogen 2.891 N/A ASN 12.A ND2 GLU 203.A OE1.A no hydrogen 2.738 N/A SER 14.A N ALA 200.A O no hydrogen 2.907 N/A SER 14.A OG SER 202.A OG no hydrogen 2.610 N/A ILE 15.A N PRO 209.A O no hydrogen 2.853 N/A ALA 16.A N VAL 198.A O no hydrogen 2.807 N/A GLY 17.A N VAL 198.A O no hydrogen 3.178 N/A LEU 18.A N ASP 82.A OD2 no hydrogen 2.940 N/A ALA 19.A N ALA 196.A O no hydrogen 3.010 N/A HIS 20.A ND1 SER 302.A OG no hydrogen 2.773 N/A ILE 21.A N ALA 194.A O no hydrogen 2.873 N/A HIS 25.A N LEU 61.A O no hydrogen 2.979 N/A LEU 27.A N ARG 59.A O no hydrogen 2.989 N/A SER 29.A N HIS 57.A O no hydrogen 2.846 N/A SER 29.A OG ILE 56.A O no hydrogen 2.614 N/A LYS 30.A NZ GLU 34.A OE2 no hydrogen 3.409 N/A GLU 31.A N THR 28.A OG1 no hydrogen 3.005 N/A ILE 32.A N THR 28.A O no hydrogen 3.171 N/A ASN 33.A N SER 29.A O no hydrogen 2.844 N/A ASN 33.A ND2 ASP 48.A OD2 no hydrogen 2.925 N/A GLU 34.A N LYS 30.A O no hydrogen 3.150 N/A ARG 35.A N ILE 32.A O no hydrogen 3.064 N/A LEU 36.A N ILE 32.A O no hydrogen 3.091 N/A GLN 37.A N ASN 33.A O no hydrogen 2.633 N/A GLN 37.A NE2 ASP 41.A OD1 no hydrogen 3.102 N/A THR 39.A OG1 MET 171.A O no hydrogen 3.369 N/A TYR 40.A N LEU 36.A O no hydrogen 2.798 N/A ASP 41.A N GLN 37.A O no hydrogen 2.712 N/A ARG 42.A N PRO 38.A O no hydrogen 2.899 N/A ARG 42.A NH2 VAL 176.A O no hydrogen 2.991 N/A LEU 43.A N THR 39.A O no hydrogen 3.060 N/A GLY 44.A N ASP 41.A O no hydrogen 2.591 N/A ILE 45.A N TYR 40.A O no hydrogen 2.974 N/A GLY 51.A N ASP 48.A OD2 no hydrogen 3.067 N/A ASP 52.A N.A ASP 48.A O no hydrogen 3.009 N/A ASP 52.A N.B ASP 48.A O no hydrogen 3.025 N/A VAL 53.A N VAL 49.A O no hydrogen 3.159 N/A ALA 54.A N VAL 49.A O no hydrogen 2.691 N/A ILE 56.A N LEU 50.A O no hydrogen 2.933 N/A HIS 57.A N GLY 287.A O no hydrogen 2.742 N/A HIS 57.A ND1 GLU 288.A OE1 no hydrogen 2.924 N/A ALA 58.A N GLY 287.A O no hydrogen 2.876 N/A ARG 59.A N LEU 27.A O no hydrogen 3.001 N/A ARG 59.A NE TYR 164.A OH no hydrogen 2.966 N/A ARG 59.A NH1 LEU 27.A O no hydrogen 2.934 N/A ARG 59.A NH1 SER 29.A OG no hydrogen 3.059 N/A ARG 59.A NH2 SER 29.A OG no hydrogen 3.226 N/A ARG 59.A NH2 LEU 188.A O no hydrogen 2.891 N/A ARG 60.A NH1 ALA 23.A O no hydrogen 2.906 N/A LEU 61.A N HIS 25.A O no hydrogen 2.806 N/A TRP 62.A N ASN 161.A OD1 no hydrogen 3.147 N/A TRP 62.A NE1 GLU 158.A O no hydrogen 2.913 N/A VAL 66.A N GLN 64.A O no hydrogen 2.812 N/A GLN 67.A N ASP 70.A OD2 no hydrogen 3.050 N/A SER 69.A N ASP 101.A OD1 no hydrogen 2.924 N/A SER 69.A OG ASP 101.A OD1 no hydrogen 3.334 N/A SER 69.A OG ASP 101.A OD2 no hydrogen 2.416 N/A ALA 71.A N GLN 67.A O no hydrogen 3.144 N/A ALA 72.A N ALA 68.A O no hydrogen 2.899 N/A THR 73.A N SER 69.A O no hydrogen 2.942 N/A THR 73.A OG1 SER 69.A O no hydrogen 2.638 N/A GLN 74.A N ASP 70.A O no hydrogen 2.991 N/A ALA 75.A N ALA 71.A O no hydrogen 3.064 N/A ALA 76.A N ALA 72.A O no hydrogen 2.856 N/A ARG 77.A N THR 73.A O no hydrogen 2.914 N/A ARG 77.A NH2 ASN 114.A O no hydrogen 3.224 N/A LYS 78.A N GLN 74.A O no hydrogen 3.344 N/A LYS 78.A NZ HIS 20.A O no hydrogen 3.026 N/A ALA 79.A N ALA 75.A O no hydrogen 2.877 N/A LEU 80.A N ALA 76.A O no hydrogen 2.944 N/A ILE 81.A N ARG 77.A O no hydrogen 3.262 N/A ASP 82.A N LYS 78.A O no hydrogen 3.017 N/A ALA 83.A N ALA 79.A O no hydrogen 2.980 N/A ASN 84.A N ILE 81.A O no hydrogen 3.059 N/A ILE 85.A N LEU 80.A O no hydrogen 3.127 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.786 N/A LYS 89.A N GLY 86.A O no hydrogen 3.130 N/A ILE 90.A N ILE 87.A O no hydrogen 3.024 N/A GLY 91.A N TYR 151.A O no hydrogen 2.937 N/A LEU 93.A N MET 122.A O no hydrogen 2.864 N/A ILE 94.A N LEU 153.A O no hydrogen 2.929 N/A ASN 95.A N PHE 124.A O no hydrogen 3.196 N/A ASN 95.A ND2 SER 97.A OG no hydrogen 3.175 N/A ASN 95.A ND2 ASP 125.A OD1 no hydrogen 3.503 N/A THR 96.A N VAL 155.A O no hydrogen 3.020 N/A THR 96.A OG1 VAL 155.A O no hydrogen 3.432 N/A THR 96.A OG1 ASP 156.A OD2 no hydrogen 2.878 N/A SER 97.A OG ASN 95.A OD1 no hydrogen 3.557 N/A SER 97.A OG SER 99.A O no hydrogen 2.660 N/A VAL 98.A N GLU 158.A OE2 no hydrogen 3.029 N/A SER 99.A N GLU 158.A OE1 no hydrogen 2.944 N/A SER 99.A OG GLU 158.A OE1 no hydrogen 2.834 N/A SER 99.A OG THR 159.A O no hydrogen 3.455 N/A ARG 100.A NE TYR 102.A O no hydrogen 3.034 N/A ARG 100.A NH2 LEU 103.A O no hydrogen 2.790 N/A THR 107.A N ASP 125.A OD2 no hydrogen 2.834 N/A ALA 108.A N ASP 125.A OD1 no hydrogen 2.815 N/A SER 109.A N SER 106.A OG no hydrogen 2.837 N/A SER 109.A OG SER 106.A O no hydrogen 2.756 N/A SER 109.A OG SER 106.A OG no hydrogen 3.333 N/A ILE 110.A N SER 106.A O no hydrogen 3.363 N/A VAL 111.A N THR 107.A O no hydrogen 2.976 N/A SER 112.A N ALA 108.A O no hydrogen 2.885 N/A SER 112.A OG ALA 108.A O no hydrogen 2.779 N/A GLY 113.A N SER 109.A O no hydrogen 2.939 N/A ASN 114.A N ILE 110.A O no hydrogen 2.976 N/A ASN 114.A ND2 THR 73.A OG1 no hydrogen 3.092 N/A LEU 115.A N VAL 111.A O no hydrogen 2.999 N/A GLY 116.A N SER 112.A O no hydrogen 2.966 N/A VAL 117.A N SER 112.A O no hydrogen 3.143 N/A HIS 120.A N SER 118.A OG no hydrogen 3.301 N/A HIS 120.A ND1.A ASP 119.A OD1 no hydrogen 2.548 N/A CYS 121.A N SER 118.A O no hydrogen 3.076 N/A CYS 121.A SG ILE 90.A O no hydrogen 3.719 N/A CYS 121.A SG MET 122.A O no hydrogen 3.727 N/A MET 122.A N GLY 91.A O no hydrogen 3.017 N/A PHE 124.A N LEU 93.A O no hydrogen 3.419 N/A VAL 126.A N ASN 95.A O no hydrogen 2.851 N/A ASN 128.A ND2 ASN 135.A OD1 no hydrogen 2.707 N/A CYS 130.A SG HIS 261.A NE2 no hydrogen 3.340 N/A LEU 131.A N ASN 128.A O no hydrogen 3.078 N/A ASN 135.A N LEU 131.A O no hydrogen 3.292 N/A GLY 136.A N ALA 132.A O no hydrogen 2.843 N/A MET 137.A N PHE 133.A O no hydrogen 2.882 N/A ASP 138.A N ILE 134.A O no hydrogen 2.987 N/A ILE 139.A N ASN 135.A O no hydrogen 2.899 N/A ALA 140.A N GLY 136.A O no hydrogen 2.968 N/A ALA 141.A N MET 137.A O no hydrogen 2.829 N/A ARG 142.A N ASP 138.A O no hydrogen 3.028 N/A LEU 144.A N ALA 140.A O no hydrogen 2.940 N/A GLU 145.A N ALA 141.A O no hydrogen 2.785 N/A ARG 146.A N ARG 142.A O no hydrogen 3.293 N/A ARG 146.A NH2 GLU 148.A OE1 no hydrogen 2.629 N/A GLY 147.A N LEU 144.A O no hydrogen 3.018 N/A GLU 148.A N MET 143.A O no hydrogen 3.061 N/A ALA 152.A N MET 199.A O no hydrogen 2.885 N/A LEU 153.A N LEU 92.A O no hydrogen 2.862 N/A VAL 154.A N MET 197.A O no hydrogen 2.934 N/A VAL 155.A N ILE 94.A O no hydrogen 2.913 N/A ASP 156.A N ALA 195.A O no hydrogen 2.986 N/A GLU 158.A N GLY 193.A O no hydrogen 2.944 N/A THR 159.A N SER 99.A OG no hydrogen 2.931 N/A ASN 161.A ND2 TRP 62.A O no hydrogen 3.008 N/A TYR 164.A N ALA 160.A O no hydrogen 2.820 N/A TYR 164.A OH LEU 190.A O no hydrogen 2.475 N/A GLU 165.A N ASN 161.A O no hydrogen 2.881 N/A LYS 166.A N LEU 162.A O no hydrogen 2.931 N/A THR 167.A N VAL 163.A O no hydrogen 2.857 N/A THR 167.A OG1 VAL 163.A O no hydrogen 2.786 N/A LEU 168.A N TYR 164.A O no hydrogen 2.898 N/A GLU 169.A N GLU 165.A O no hydrogen 3.298 N/A ARG 170.A N LYS 166.A O no hydrogen 3.180 N/A ARG 170.A NE GLU 184.A OE2 no hydrogen 2.881 N/A MET 171.A N THR 167.A O no hydrogen 2.989 N/A THR 172.A OG1 LEU 168.A O no hydrogen 2.783 N/A THR 172.A OG1 GLU 169.A O no hydrogen 3.299 N/A VAL 176.A N SER 173.A O no hydrogen 3.203 N/A THR 177.A N GLU 180.A OE1 no hydrogen 3.025 N/A GLU 180.A N THR 177.A OG1 no hydrogen 2.961 N/A PHE 181.A N THR 177.A O no hydrogen 2.806 N/A ARG 182.A N GLU 178.A O no hydrogen 2.910 N/A ASN 183.A N GLU 179.A O no hydrogen 2.813 N/A GLU 184.A N GLU 180.A O no hydrogen 2.977 N/A LEU 185.A N PHE 181.A O no hydrogen 3.121 N/A LEU 185.A N ARG 182.A O no hydrogen 3.181 N/A ALA 187.A N GLU 184.A O no hydrogen 3.125 N/A LEU 188.A N LEU 185.A O no hydrogen 2.919 N/A THR 189.A N ALA 186.A O no hydrogen 3.115 N/A THR 189.A OG1 ALA 186.A O no hydrogen 2.689 N/A LEU 190.A N ALA 187.A O no hydrogen 3.197 N/A GLY 191.A N ASN 291.A O no hydrogen 2.924 N/A CYS 192.A N ARG 60.A O no hydrogen 2.923 N/A CYS 192.A SG ASN 161.A OD1 no hydrogen 3.389 N/A GLY 193.A N GLU 158.A O no hydrogen 3.435 N/A ALA 194.A N ILE 21.A O no hydrogen 3.175 N/A ALA 195.A N ASP 156.A O no hydrogen 2.918 N/A ALA 196.A N ALA 19.A O no hydrogen 2.999 N/A MET 197.A N VAL 154.A O no hydrogen 2.880 N/A VAL 198.A N GLY 17.A O no hydrogen 2.835 N/A MET 199.A N ALA 152.A O no hydrogen 2.859 N/A ALA 200.A N SER 14.A O no hydrogen 2.886 N/A ARG 201.A N ASP 150.A O no hydrogen 3.113 N/A ARG 201.A NE GLU 203.A OE2.A no hydrogen 2.589 N/A ARG 201.A NH1 LEU 144.A O no hydrogen 2.820 N/A SER 202.A N ASN 12.A O no hydrogen 2.951 N/A SER 202.A OG SER 14.A OG no hydrogen 2.610 N/A GLU 203.A N GLU 203.A OE1.A no hydrogen 3.114 N/A LEU 204.A N ARG 201.A O no hydrogen 3.057 N/A VAL 205.A N SER 202.A O no hydrogen 2.953 N/A ALA 208.A N VAL 205.A O no hydrogen 3.203 N/A ARG 210.A N VAL 333.A O no hydrogen 2.865 N/A ARG 210.A NE PHE 10.A O no hydrogen 3.301 N/A ARG 210.A NH2 PHE 10.A O no hydrogen 2.887 N/A TYR 211.A N VAL 13.A O no hydrogen 2.842 N/A TYR 211.A OH ASP 138.A OD1.A no hydrogen 2.244 N/A LYS 212.A N GLU 331.A O no hydrogen 2.957 N/A VAL 215.A N MET 329.A O no hydrogen 2.820 N/A THR 216.A OG1 SER 328.A OG no hydrogen 2.784 N/A ARG 217.A N CYS 327.A O no hydrogen 3.005 N/A ARG 217.A NH1 THR 216.A O no hydrogen 2.867 N/A ALA 219.A N LEU 325.A O no hydrogen 2.810 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.726 N/A TRP 222.A N ALA 219.A O no hydrogen 2.930 N/A ASN 223.A N THR 220.A O no hydrogen 3.113 N/A ASN 223.A ND2.A THR 220.A O no hydrogen 2.982 N/A LEU 225.A N TRP 222.A O no hydrogen 3.129 N/A LEU 229.A N THR 226.A OG1 no hydrogen 3.276 N/A ILE 231.A N ARG 227.A O no hydrogen 3.023 N/A GLU 232.A N LEU 228.A O no hydrogen 2.815 N/A GLY 233.A N LEU 229.A O no hydrogen 2.854 N/A ILE 234.A N LEU 230.A O no hydrogen 2.961 N/A LYS 235.A N ILE 231.A O no hydrogen 3.055 N/A LYS 235.A NZ GLU 232.A OE2 no hydrogen 2.962 N/A LEU 236.A N GLU 232.A O no hydrogen 2.966 N/A ALA 237.A N GLY 233.A O no hydrogen 2.923 N/A GLN 238.A N ILE 234.A O no hydrogen 2.847 N/A LYS 239.A N LYS 235.A O no hydrogen 3.209 N/A THR 240.A N LEU 236.A O no hydrogen 2.935 N/A THR 240.A OG1 LEU 236.A O no hydrogen 2.784 N/A PHE 241.A N ALA 237.A O no hydrogen 2.890 N/A VAL 242.A N GLN 238.A O no hydrogen 3.237 N/A ALA 243.A N LYS 239.A O no hydrogen 3.131 N/A ALA 244.A N THR 240.A O no hydrogen 2.809 N/A LYS 245.A N PHE 241.A O no hydrogen 2.837 N/A GLN 246.A N VAL 242.A O no hydrogen 2.995 N/A VAL 247.A N ALA 244.A O no hydrogen 3.366 N/A LEU 248.A N ALA 244.A O no hydrogen 2.762 N/A GLY 249.A N LYS 245.A O no hydrogen 3.072 N/A TRP 250.A N ALA 244.A O no hydrogen 3.436 N/A TRP 250.A NE1 GLU 331.A OE1 no hydrogen 2.793 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.663 N/A GLU 254.A N ALA 251.A O no hydrogen 2.874 N/A LEU 255.A N VAL 252.A O no hydrogen 3.302 N/A ASP 256.A N ARG 315.A O no hydrogen 2.855 N/A GLN 257.A N ARG 315.A O no hydrogen 3.322 N/A PHE 258.A N LYS 281.A O no hydrogen 2.851 N/A VAL 259.A N ALA 317.A O no hydrogen 2.666 N/A HIS 261.A N LEU 319.A O no hydrogen 2.928 N/A HIS 261.A NE2 ASN 291.A OD1 no hydrogen 2.970 N/A SER 264.A OG HIS 267.A ND1 no hydrogen 2.624 N/A ARG 265.A N ALA 54.A O no hydrogen 2.882 N/A HIS 267.A N SER 264.A OG no hydrogen 3.112 N/A HIS 267.A ND1 SER 264.A OG no hydrogen 2.624 N/A THR 268.A N SER 264.A O no hydrogen 3.034 N/A THR 268.A OG1 SER 264.A O no hydrogen 3.118 N/A ALA 269.A N ARG 265.A O no hydrogen 2.921 N/A ALA 270.A N PRO 266.A O no hydrogen 2.998 N/A PHE 271.A N HIS 267.A O no hydrogen 3.046 N/A VAL 272.A N THR 268.A O no hydrogen 2.939 N/A LYS 273.A N ALA 269.A O no hydrogen 2.983 N/A SER 274.A N ALA 270.A O no hydrogen 2.946 N/A PHE 275.A N PHE 271.A O no hydrogen 3.223 N/A GLY 276.A N LYS 273.A O no hydrogen 3.288 N/A ILE 277.A N VAL 272.A O no hydrogen 3.005 N/A ALA 280.A N ASP 278.A OD1 no hydrogen 3.048 N/A LYS 281.A N ASP 278.A O no hydrogen 2.831 N/A VAL 282.A N PRO 279.A O no hydrogen 3.053 N/A THR 284.A OG1.A GLN 262.A OE1 no hydrogen 3.223 N/A PHE 286.A N THR 284.A OG1.A no hydrogen 3.350 N/A GLU 288.A N ILE 285.A O no hydrogen 3.175 N/A HIS 289.A N ILE 285.A O no hydrogen 2.792 N/A GLY 290.A N PHE 286.A O no hydrogen 2.754 N/A ASN 291.A N THR 189.A O no hydrogen 2.742 N/A ILE 292.A N SER 296.A OG no hydrogen 2.972 N/A GLY 293.A N ASN 291.A OD1 no hydrogen 2.841 N/A ALA 295.A N ILE 292.A O no hydrogen 3.177 N/A SER 296.A N GLY 293.A O no hydrogen 2.990 N/A SER 296.A OG GLY 293.A O no hydrogen 2.946 N/A ILE 299.A N ALA 295.A O no hydrogen 2.971 N/A VAL 300.A N SER 296.A O no hydrogen 3.006 N/A LEU 301.A N VAL 297.A O no hydrogen 2.987 N/A SER 302.A N PRO 298.A O no hydrogen 2.867 N/A SER 302.A OG HIS 20.A ND1 no hydrogen 2.773 N/A LYS 303.A N ILE 299.A O no hydrogen 2.895 N/A LYS 303.A NZ ASP 22.A OD1 no hydrogen 3.039 N/A LYS 303.A NZ ASP 22.A OD2 no hydrogen 3.258 N/A LEU 304.A N VAL 300.A O no hydrogen 2.922 N/A LYS 305.A N LEU 301.A O no hydrogen 2.990 N/A LYS 305.A NZ.A ASP 82.A OD1 no hydrogen 3.105 N/A LYS 305.A NZ.A ASP 82.A OD2 no hydrogen 3.453 N/A LYS 305.A NZ.B ASP 82.A OD1 no hydrogen 3.473 N/A LYS 305.A NZ.B ASP 82.A OD2 no hydrogen 2.786 N/A GLU 306.A N SER 302.A O no hydrogen 3.063 N/A LEU 307.A N LYS 303.A O no hydrogen 3.134 N/A GLY 308.A N LYS 305.A O no hydrogen 3.071 N/A LYS 311.A N ASP 314.A OD2 no hydrogen 2.865 N/A LYS 311.A NZ ASP 314.A OD1 no hydrogen 3.213 N/A LYS 311.A NZ ASP 314.A OD2 no hydrogen 3.186 N/A GLY 313.A N TRP 334.A O no hydrogen 2.690 N/A ASP 314.A N LYS 311.A O no hydrogen 2.875 N/A ARG 315.A N ASP 256.A OD2 no hydrogen 2.850 N/A ARG 315.A NE GLU 331.A OE2 no hydrogen 2.863 N/A ARG 315.A NH2 GLU 331.A OE1 no hydrogen 3.126 N/A ARG 315.A NH2 GLU 331.A OE2 no hydrogen 3.555 N/A ILE 316.A N VAL 332.A O no hydrogen 2.777 N/A ALA 317.A N GLN 257.A O no hydrogen 2.832 N/A LEU 318.A N ALA 330.A O no hydrogen 2.830 N/A LEU 319.A N VAL 259.A O no hydrogen 3.009 N/A GLY 320.A N SER 328.A O no hydrogen 3.240 N/A GLY 322.A N ASN 326.A O no hydrogen 2.809 N/A LEU 325.A N ALA 219.A O no hydrogen 3.121 N/A ASN 326.A N GLY 322.A O no hydrogen 3.000 N/A ASN 326.A ND2 SER 323.A O no hydrogen 3.312 N/A CYS 327.A N ARG 217.A O no hydrogen 2.907 N/A CYS 327.A SG THR 240.A OG1 no hydrogen 3.383 N/A CYS 327.A SG GLY 320.A O no hydrogen 3.551 N/A SER 328.A N GLY 320.A O no hydrogen 3.228 N/A SER 328.A OG THR 216.A OG1 no hydrogen 2.784 N/A MET 329.A N VAL 215.A O no hydrogen 3.019 N/A ALA 330.A N LEU 318.A O no hydrogen 2.867 N/A GLU 331.A N GLY 213.A O no hydrogen 3.024 N/A VAL 332.A N ILE 316.A O no hydrogen 2.954 N/A VAL 333.A N ARG 210.A O no hydrogen 2.922 N/A TRP 334.A N ASP 314.A O no hydrogen 2.841 N/A