Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3zdu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 60.A OE2 no hydrogen 3.049 N/A GLU 5.A N LYS 22.A O no hydrogen 2.998 N/A LEU 7.A N LYS 20.A O no hydrogen 2.576 N/A GLY 8.A N LYS 20.A O no hydrogen 3.249 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 2.550 N/A VAL 10.A N VAL 18.A O no hydrogen 3.126 N/A GLY 11.A N VAL 18.A O no hydrogen 3.269 N/A GLY 13.A N GLY 16.A O no hydrogen 2.709 N/A GLY 16.A N GLY 13.A O no hydrogen 3.191 N/A THR 17.A N ILE 34.A O no hydrogen 3.033 N/A VAL 18.A N GLY 11.A O no hydrogen 3.026 N/A MET 19.A N ILE 32.A O no hydrogen 2.884 N/A LYS 20.A N GLY 8.A O no hydrogen 2.700 N/A CYS 21.A N VAL 30.A O no hydrogen 2.867 N/A CYS 21.A SG MET 19.A O no hydrogen 3.698 N/A LYS 22.A N GLU 5.A O no hydrogen 2.833 N/A HIS 23.A N GLN 28.A O no hydrogen 2.917 N/A LYS 24.A N MET 3.A O no hydrogen 2.617 N/A LYS 24.A NZ TYR 4.A O no hydrogen 3.408 N/A ASN 25.A N HIS 23.A ND1 no hydrogen 3.154 N/A THR 26.A N HIS 23.A ND1 no hydrogen 3.224 N/A GLY 27.A N HIS 23.A O no hydrogen 2.726 N/A VAL 30.A N CYS 21.A O no hydrogen 2.790 N/A ALA 31.A N PHE 72.A O no hydrogen 2.949 N/A ILE 32.A N MET 19.A O no hydrogen 2.750 N/A LYS 33.A N LEU 70.A O no hydrogen 2.839 N/A LYS 33.A NZ GLU 43.A OE1 no hydrogen 2.699 N/A LYS 33.A NZ GLU 43.A OE2 no hydrogen 3.483 N/A LYS 33.A NZ ASP 136.A OD1 no hydrogen 3.356 N/A ILE 34.A N THR 17.A O no hydrogen 2.743 N/A PHE 35.A N ILE 68.A O no hydrogen 3.261 N/A MET 41.A N ASN 37.A O no hydrogen 3.489 N/A ARG 42.A N LYS 38.A O no hydrogen 2.960 N/A GLU 43.A N ILE 39.A O no hydrogen 3.114 N/A ILE 44.A N ALA 40.A O no hydrogen 3.022 N/A LYS 45.A N MET 41.A O no hydrogen 2.851 N/A PHE 46.A N ARG 42.A O no hydrogen 3.112 N/A LEU 47.A N GLU 43.A O no hydrogen 3.055 N/A LYS 48.A N ILE 44.A O no hydrogen 3.180 N/A GLN 49.A N PHE 46.A O no hydrogen 3.248 N/A PHE 50.A N PHE 46.A O no hydrogen 3.027 N/A HIS 51.A N TYR 108.A OH no hydrogen 3.088 N/A ASN 54.A N HIS 52.A ND1 no hydrogen 3.167 N/A ASN 54.A ND2 GLN 101.A OE1 no hydrogen 3.367 N/A ASN 54.A ND2 THR 132.A O no hydrogen 2.670 N/A LEU 55.A N HIS 52.A O no hydrogen 3.392 N/A VAL 56.A N LEU 134.A O no hydrogen 2.916 N/A ASN 57.A N GLU 73.A OE2 no hydrogen 3.019 N/A ILE 59.A N VAL 71.A O no hydrogen 2.901 N/A PHE 62.A N HIS 69.A O no hydrogen 3.114 N/A HIS 69.A N PHE 62.A O no hydrogen 2.664 N/A HIS 69.A ND1 LYS 67.A O no hydrogen 2.959 N/A LEU 70.A N LYS 33.A O no hydrogen 2.878 N/A VAL 71.A N GLU 60.A O no hydrogen 3.010 N/A PHE 72.A N ALA 31.A O no hydrogen 2.868 N/A GLU 73.A N ASN 57.A O no hydrogen 3.061 N/A HIS 77.A N VAL 126.A O no hydrogen 2.947 N/A HIS 77.A ND1 ASP 76.A OD2 no hydrogen 2.690 N/A HIS 77.A NE2 GLU 82.A OE2 no hydrogen 2.779 N/A THR 78.A N ASP 81.A OD2 no hydrogen 2.821 N/A VAL 79.A N ILE 124.A O no hydrogen 2.945 N/A LEU 80.A N PRO 121.A O no hydrogen 3.330 N/A ASP 81.A N THR 78.A OG1 no hydrogen 2.943 N/A LEU 83.A N VAL 79.A O no hydrogen 3.020 N/A GLN 84.A N LEU 80.A O no hydrogen 2.829 N/A HIS 85.A N ASP 81.A O no hydrogen 2.947 N/A HIS 85.A N GLU 82.A O no hydrogen 3.317 N/A TYR 86.A N GLU 82.A O no hydrogen 3.026 N/A LEU 90.A N MET 182.A O no hydrogen 2.758 N/A LYS 93.A N GLU 91.A OE2 no hydrogen 2.861 N/A ARG 94.A N GLU 91.A OE1 no hydrogen 2.934 N/A ARG 94.A NH1 TYR 98.A OH no hydrogen 3.565 N/A LEU 95.A N GLU 91.A O no hydrogen 2.863 N/A ARG 96.A N SER 92.A O no hydrogen 3.100 N/A ARG 96.A NH1 TYR 273.A O no hydrogen 2.872 N/A LYS 97.A N LYS 93.A O no hydrogen 3.413 N/A TYR 98.A N ARG 94.A O no hydrogen 3.032 N/A TYR 98.A OH GLU 82.A OE2 no hydrogen 2.589 N/A LEU 99.A N LEU 95.A O no hydrogen 2.868 N/A PHE 100.A N ARG 96.A O no hydrogen 2.960 N/A GLN 101.A N LYS 97.A O no hydrogen 3.284 N/A GLN 101.A NE2 LYS 97.A O no hydrogen 3.252 N/A GLN 101.A NE2 GLY 130.A O no hydrogen 3.034 N/A ILE 102.A N TYR 98.A O no hydrogen 2.886 N/A LEU 103.A N LEU 99.A O no hydrogen 2.775 N/A ARG 104.A N PHE 100.A O no hydrogen 2.877 N/A ARG 104.A NH1 GLU 53.A OE2 no hydrogen 2.873 N/A ARG 104.A NH2 GLU 53.A OE2 no hydrogen 2.746 N/A ALA 105.A N GLN 101.A O no hydrogen 3.156 N/A ILE 106.A N ILE 102.A O no hydrogen 2.916 N/A ASP 107.A N LEU 103.A O no hydrogen 2.855 N/A TYR 108.A N ARG 104.A O no hydrogen 2.934 N/A LEU 109.A N ALA 105.A O no hydrogen 3.136 N/A HIS 110.A N ILE 106.A O no hydrogen 2.778 N/A HIS 110.A NE2 ASP 171.A OD2 no hydrogen 2.946 N/A SER 111.A N ASP 107.A O no hydrogen 2.744 N/A SER 111.A OG ASP 107.A O no hydrogen 2.915 N/A ASN 112.A N TYR 108.A O no hydrogen 3.203 N/A ASN 112.A ND2 TYR 108.A O no hydrogen 2.633 N/A ASN 113.A N HIS 110.A O no hydrogen 3.065 N/A ILE 114.A N LEU 109.A O no hydrogen 2.803 N/A ILE 115.A N ARG 141.A O no hydrogen 2.987 N/A HIS 116.A N ASP 171.A OD2 no hydrogen 2.720 N/A HIS 116.A NE2 CYS 135.A O no hydrogen 3.008 N/A ARG 117.A N ASP 171.A OD1 no hydrogen 2.824 N/A ARG 117.A NE ARG 117.A O no hydrogen 3.148 N/A ARG 117.A NH1 ILE 144.A O no hydrogen 3.282 N/A ARG 117.A NH1 TYR 166.A OH no hydrogen 3.006 N/A ARG 117.A NH2 ILE 144.A O no hydrogen 2.709 N/A ASP 118.A N HIS 116.A ND1 no hydrogen 3.045 N/A LYS 120.A NZ ASP 118.A OD1 no hydrogen 3.307 N/A LYS 120.A NZ ASP 118.A OD2 no hydrogen 3.334 N/A LYS 120.A NZ GLU 148.A OE1 no hydrogen 3.157 N/A LYS 120.A NZ THR 151.A OG1 no hydrogen 2.853 N/A ASN 123.A N LYS 120.A O no hydrogen 3.059 N/A ASN 123.A ND2 ASP 118.A O no hydrogen 2.953 N/A ILE 124.A N PRO 121.A O no hydrogen 3.176 N/A LEU 125.A N LYS 133.A O no hydrogen 2.853 N/A VAL 126.A N HIS 77.A O no hydrogen 2.658 N/A SER 127.A N ILE 131.A O no hydrogen 3.097 N/A SER 127.A OG SER 129.A OG no hydrogen 2.945 N/A SER 129.A OG SER 127.A OG no hydrogen 2.945 N/A GLY 130.A N SER 127.A O no hydrogen 2.839 N/A GLY 130.A N SER 127.A OG no hydrogen 3.292 N/A ILE 131.A N SER 127.A OG no hydrogen 3.314 N/A THR 132.A N GLN 101.A OE1 no hydrogen 3.066 N/A LYS 133.A N LEU 125.A O no hydrogen 2.885 N/A LYS 133.A NZ LEU 55.A O no hydrogen 3.563 N/A LYS 133.A NZ GLU 73.A OE2 no hydrogen 2.856 N/A LEU 134.A N ASN 54.A O no hydrogen 2.904 N/A CYS 135.A N ASN 123.A O no hydrogen 3.117 N/A CYS 135.A SG ASN 123.A O no hydrogen 3.514 N/A PHE 137.A N GLU 43.A OE2 no hydrogen 2.845 N/A ALA 140.A N PHE 137.A O no hydrogen 3.308 N/A ARG 141.A N ILE 115.A O no hydrogen 3.024 N/A GLU 148.A N ASP 146.A O no hydrogen 3.061 N/A ALA 150.A N GLU 148.A OE2 no hydrogen 3.501 N/A THR 151.A N GLU 148.A O no hydrogen 3.219 N/A THR 151.A OG1 ASP 118.A OD1 no hydrogen 3.229 N/A ARG 152.A NE ASP 194.A OD1 no hydrogen 3.181 N/A ARG 152.A NH2 ASP 194.A OD1 no hydrogen 3.358 N/A TRP 153.A N ALA 150.A O no hydrogen 3.095 N/A TYR 154.A N THR 151.A O no hydrogen 3.082 N/A TYR 154.A OH GLU 181.A OE1 no hydrogen 2.530 N/A ARG 155.A N ARG 152.A O no hydrogen 3.197 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.716 N/A LEU 159.A N ALA 156.A O no hydrogen 2.984 N/A VAL 160.A N ALA 156.A O no hydrogen 3.130 N/A LEU 161.A N PRO 157.A O no hydrogen 2.982 N/A LYS 162.A N LEU 159.A O no hydrogen 3.031 N/A ASP 163.A N GLU 158.A O no hydrogen 2.998 N/A LYS 168.A NZ HIS 110.A O no hydrogen 2.979 N/A LYS 168.A NZ ASN 113.A OD1 no hydrogen 2.810 N/A VAL 170.A N GLY 167.A O no hydrogen 3.153 N/A ASP 171.A N LYS 168.A O no hydrogen 2.976 N/A TRP 173.A N PRO 169.A O no hydrogen 3.028 N/A ALA 174.A N VAL 170.A O no hydrogen 3.178 N/A LEU 175.A N ASP 171.A O no hydrogen 2.918 N/A GLY 176.A N ILE 172.A O no hydrogen 2.928 N/A CYS 177.A N TRP 173.A O no hydrogen 3.113 N/A CYS 177.A SG TRP 173.A O no hydrogen 3.584 N/A MET 178.A N ALA 174.A O no hydrogen 2.936 N/A ILE 179.A N LEU 175.A O no hydrogen 2.864 N/A ILE 180.A N GLY 176.A O no hydrogen 3.303 N/A GLU 181.A N CYS 177.A O no hydrogen 3.232 N/A MET 182.A N MET 178.A O no hydrogen 2.809 N/A ALA 183.A N ILE 179.A O no hydrogen 2.818 N/A THR 184.A N ILE 180.A O no hydrogen 2.879 N/A THR 184.A OG1 ILE 180.A O no hydrogen 2.804 N/A GLY 185.A N GLU 181.A O no hydrogen 2.598 N/A ASN 186.A N THR 184.A OG1 no hydrogen 3.066 N/A TYR 188.A OH LYS 204.A O no hydrogen 3.351 N/A SER 191.A OG LEU 189.A O no hydrogen 3.033 N/A SER 192.A N ASP 196.A OD2 no hydrogen 3.257 N/A ASP 196.A N SER 193.A OG no hydrogen 3.059 N/A LEU 197.A N SER 193.A O no hydrogen 2.898 N/A LEU 198.A N ASP 194.A O no hydrogen 2.769 N/A HIS 199.A N LEU 195.A O no hydrogen 3.123 N/A HIS 199.A ND1 LEU 195.A O no hydrogen 2.707 N/A LYS 200.A N ASP 196.A O no hydrogen 3.043 N/A ILE 201.A N LEU 197.A O no hydrogen 2.867 N/A VAL 202.A N LEU 198.A O no hydrogen 3.160 N/A LEU 203.A N HIS 199.A O no hydrogen 2.843 N/A LYS 204.A N LYS 200.A O no hydrogen 2.783 N/A LYS 204.A NZ TYR 188.A O no hydrogen 3.033 N/A VAL 205.A N ILE 201.A O no hydrogen 2.789 N/A GLY 206.A N ILE 201.A O no hydrogen 3.221 N/A GLN 213.A N SER 209.A O no hydrogen 2.781 N/A GLN 213.A NE2 GLN 213.A O no hydrogen 3.422 N/A ASN 214.A N PRO 210.A O no hydrogen 2.900 N/A ILE 215.A N HIS 211.A O no hydrogen 2.997 N/A PHE 216.A N LEU 212.A O no hydrogen 2.920 N/A SER 217.A N GLN 213.A O no hydrogen 2.931 N/A SER 217.A OG GLN 213.A O no hydrogen 3.212 N/A SER 217.A OG ASN 214.A O no hydrogen 3.168 N/A LYS 218.A N ASN 214.A O no hydrogen 3.174 N/A SER 219.A N PHE 216.A O no hydrogen 3.070 N/A PHE 222.A N SER 219.A O no hydrogen 3.301 N/A ALA 223.A N PRO 220.A O no hydrogen 3.400 N/A HIS 232.A NE2 LEU 203.A O no hydrogen 3.041 N/A ARG 237.A NE ASP 249.A OD1 no hydrogen 2.774 N/A ARG 237.A NE ASP 249.A OD2 no hydrogen 3.466 N/A ARG 237.A NH2 ASP 249.A OD2 no hydrogen 2.813 N/A LYS 238.A N ASN 235.A OD1 no hydrogen 3.301 N/A LYS 239.A N ASN 235.A O no hydrogen 2.938 N/A LYS 239.A NZ VAL 205.A O no hydrogen 2.818 N/A TYR 240.A N ALA 236.A O no hydrogen 3.089 N/A LEU 243.A N TYR 240.A O no hydrogen 3.469 N/A LEU 247.A N ASN 244.A OD1 no hydrogen 3.215 N/A ALA 248.A N ASN 244.A O no hydrogen 2.719 N/A ASP 249.A N GLY 245.A O no hydrogen 3.016 N/A ILE 250.A N LEU 246.A O no hydrogen 3.076 N/A VAL 251.A N LEU 247.A O no hydrogen 3.033 N/A HIS 252.A N ALA 248.A O no hydrogen 2.846 N/A ALA 253.A N ASP 249.A O no hydrogen 3.154 N/A CYS 254.A N ILE 250.A O no hydrogen 2.941 N/A CYS 254.A SG ILE 250.A O no hydrogen 3.276 N/A LEU 255.A N VAL 251.A O no hydrogen 2.945 N/A GLN 256.A N CYS 254.A O no hydrogen 3.113 N/A GLN 256.A NE2 HIS 252.A O no hydrogen 2.813 N/A ALA 260.A N ASP 258.A OD1 no hydrogen 3.100 N/A ASP 261.A N ASP 258.A O no hydrogen 2.778 N/A ARG 262.A N PRO 259.A O no hydrogen 3.066 N/A ARG 262.A NE GLN 256.A O no hydrogen 2.694 N/A ARG 262.A NH1 GLU 158.A OE1 no hydrogen 3.508 N/A ARG 262.A NH1 GLU 158.A OE2 no hydrogen 2.802 N/A ARG 262.A NH1 PRO 169.A O no hydrogen 3.022 N/A ARG 262.A NH2 GLU 158.A OE1 no hydrogen 2.796 N/A ARG 262.A NH2 GLN 256.A O no hydrogen 3.312 N/A ARG 262.A NH2 ILE 257.A O no hydrogen 2.805 N/A ILE 263.A N ALA 253.A O no hydrogen 3.122 N/A SER 264.A OG ASP 267.A OD2 no hydrogen 3.302 N/A SER 265.A OG ASP 107.A OD1 no hydrogen 2.637 N/A SER 266.A OG ASP 107.A OD1 no hydrogen 3.418 N/A ASP 267.A N SER 264.A OG no hydrogen 3.206 N/A LEU 268.A N SER 264.A O no hydrogen 3.123 N/A LEU 269.A N SER 265.A O no hydrogen 3.113 N/A HIS 270.A N ASP 267.A O no hydrogen 3.251 N/A HIS 271.A N LEU 268.A O no hydrogen 3.088 N/A TYR 273.A N HIS 271.A ND1 no hydrogen 2.996 N/A PHE 274.A N HIS 271.A O no hydrogen 2.868 N/A THR 275.A N GLU 272.A O no hydrogen 3.157 N/A ARG 276.A N GLU 272.A O no hydrogen 2.912 N/A GLY 278.A N THR 275.A O no hydrogen 3.027 N/A ILE 280.A N PHE 274.A O no hydrogen 3.386 N/A LYS 282.A N GLY 278.A O no hydrogen 3.011 N/A PHE 283.A N PHE 279.A O no hydrogen 2.384 N/A MET 284.A N ILE 280.A O no hydrogen 3.043 N/A LEU 287.A N PHE 283.A O no hydrogen 2.752 N/A LYS 288.A N MET 284.A O no hydrogen 2.867 N/A ALA 289.A N PRO 285.A O no hydrogen 2.829 N/A LYS 290.A N GLU 286.A O no hydrogen 3.002 N/A LEU 291.A N LEU 287.A O no hydrogen 3.161 N/A LEU 292.A N LYS 288.A O no hydrogen 3.003 N/A GLN 293.A N ALA 289.A O no hydrogen 2.758 N/A GLU 294.A N LYS 290.A O no hydrogen 2.692 N/A ALA 295.A N LEU 291.A O no hydrogen 3.060 N/A LYS 296.A N LEU 292.A O no hydrogen 3.206 N/A