Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3at3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 264.A OE2 no hydrogen 3.368 N/A GLY 3.A N SER 2.A OG no hydrogen 2.660 N/A VAL 5.A N TYR 261.A O no hydrogen 2.977 N/A SER 7.A OG HIS 309.A NE2 no hydrogen 3.228 N/A ALA 9.A N TYR 182.A OH no hydrogen 3.205 N/A ARG 10.A NE GLN 310.A O no hydrogen 2.774 N/A ARG 10.A NH1 ARG 312.A O no hydrogen 3.148 N/A ARG 10.A NH1 GLU 317.A OE1 no hydrogen 2.951 N/A ARG 10.A NH1 GLU 317.A OE2 no hydrogen 3.522 N/A ARG 10.A NH2 GLU 317.A OE2 no hydrogen 3.552 N/A TYR 12.A OH ASP 145.A OD1 no hydrogen 2.633 N/A THR 13.A OG1 ALA 9.A O no hydrogen 2.670 N/A VAL 15.A N TYR 12.A O no hydrogen 3.518 N/A ASN 16.A ND2 GLY 151.A O no hydrogen 3.052 N/A ASN 16.A ND2 TYR 182.A O no hydrogen 2.905 N/A THR 17.A OG1 ASP 14.A OD1 no hydrogen 2.462 N/A HIS 18.A N ASP 14.A O no hydrogen 3.332 N/A ARG 19.A N ASN 16.A O no hydrogen 2.948 N/A TYR 23.A N PRO 20.A O no hydrogen 2.623 N/A TYR 23.A OH MET 150.A O no hydrogen 2.857 N/A TRP 24.A N ARG 21.A O no hydrogen 3.148 N/A ASP 25.A N ARG 21.A O no hydrogen 2.904 N/A TYR 26.A N TRP 24.A O no hydrogen 2.897 N/A TYR 26.A OH GLU 180.A OE1 no hydrogen 2.749 N/A SER 28.A N ASP 25.A O no hydrogen 3.393 N/A SER 28.A OG ASP 25.A O no hydrogen 3.315 N/A SER 28.A OG ASP 25.A OD2 no hydrogen 2.845 N/A HIS 29.A N TYR 26.A O no hydrogen 2.780 N/A GLY 34.A N ILE 100.A O no hydrogen 2.792 N/A ASP 38.A N ASN 35.A O no hydrogen 2.917 N/A TYR 39.A N GLN 36.A O no hydrogen 3.013 N/A TYR 39.A OH ASP 99.A OD2 no hydrogen 2.661 N/A GLN 40.A N ILE 57.A O no hydrogen 3.144 N/A VAL 42.A N GLU 55.A O no hydrogen 2.708 N/A ARG 43.A N GLU 55.A O no hydrogen 3.134 N/A LEU 45.A N VAL 53.A O no hydrogen 2.941 N/A GLY 46.A N VAL 53.A O no hydrogen 3.402 N/A GLU 52.A N ILE 69.A O no hydrogen 3.084 N/A VAL 53.A N GLY 46.A O no hydrogen 2.857 N/A PHE 54.A N VAL 67.A O no hydrogen 2.868 N/A GLU 55.A N ARG 43.A O no hydrogen 2.640 N/A ALA 56.A N VAL 65.A O no hydrogen 2.591 N/A ILE 57.A N GLN 40.A O no hydrogen 3.066 N/A ASN 58.A N GLU 63.A O no hydrogen 2.840 N/A ILE 59.A N ASP 38.A O no hydrogen 2.846 N/A THR 60.A N ASN 58.A OD1 no hydrogen 2.764 N/A THR 60.A OG1 ASN 58.A OD1 no hydrogen 2.491 N/A ASN 61.A N ASN 58.A O no hydrogen 3.193 N/A ASN 62.A N ASN 58.A O no hydrogen 2.800 N/A GLU 63.A N ASN 61.A OD1 no hydrogen 2.583 N/A VAL 65.A N ALA 56.A O no hydrogen 2.799 N/A VAL 66.A N PHE 113.A O no hydrogen 3.180 N/A VAL 67.A N PHE 54.A O no hydrogen 2.902 N/A LYS 68.A N LEU 111.A O no hydrogen 2.724 N/A LYS 68.A NZ GLU 81.A OE1 no hydrogen 3.558 N/A LYS 68.A NZ GLU 81.A OE2 no hydrogen 2.755 N/A LYS 68.A NZ ASP 175.A OD2 no hydrogen 3.093 N/A ILE 69.A N GLU 52.A O no hydrogen 2.886 N/A LEU 70.A N PRO 109.A O no hydrogen 3.075 N/A LYS 71.A N TYR 50.A O no hydrogen 3.269 N/A LYS 77.A NZ GLY 177.A O no hydrogen 2.355 N/A ILE 78.A N LYS 74.A O no hydrogen 3.187 N/A LYS 79.A N LYS 75.A O no hydrogen 2.733 N/A LYS 79.A NZ GLU 27.A O no hydrogen 2.659 N/A LYS 79.A NZ HIS 29.A O no hydrogen 2.593 N/A ARG 80.A N LYS 76.A O no hydrogen 3.022 N/A ARG 80.A NH1 GLY 177.A O no hydrogen 2.970 N/A ARG 80.A NH2 GLU 180.A OE1 no hydrogen 3.320 N/A GLU 81.A N ILE 78.A O no hydrogen 3.132 N/A ILE 82.A N ILE 78.A O no hydrogen 3.233 N/A LYS 83.A N LYS 79.A O no hydrogen 2.720 N/A LYS 83.A NZ TYR 23.A O no hydrogen 3.330 N/A LYS 83.A NZ ASN 87.A OD1 no hydrogen 3.084 N/A ILE 84.A N ARG 80.A O no hydrogen 3.171 N/A LEU 85.A N GLU 81.A O no hydrogen 2.973 N/A GLU 86.A N ILE 82.A O no hydrogen 3.096 N/A GLU 86.A N LYS 83.A O no hydrogen 3.228 N/A ASN 87.A N LYS 83.A O no hydrogen 2.975 N/A ASN 87.A ND2 TYR 23.A O no hydrogen 3.126 N/A LEU 88.A N ILE 84.A O no hydrogen 2.953 N/A ARG 89.A N LEU 85.A O no hydrogen 2.925 N/A ARG 89.A NE LEU 97.A O no hydrogen 3.284 N/A ARG 89.A NH1 GLU 86.A OE2 no hydrogen 3.125 N/A ARG 89.A NH1 LEU 97.A O no hydrogen 3.103 N/A GLY 91.A N LEU 88.A O no hydrogen 2.621 N/A ASN 93.A ND2 GLU 139.A O no hydrogen 2.990 N/A ASN 93.A ND2 GLU 139.A OE1 no hydrogen 3.158 N/A ILE 94.A N GLY 91.A O no hydrogen 3.358 N/A ILE 95.A N LEU 173.A O no hydrogen 3.252 N/A THR 96.A N GLU 114.A OE2 no hydrogen 3.054 N/A THR 96.A OG1 GLU 114.A OE2 no hydrogen 3.164 N/A ALA 98.A N VAL 112.A O no hydrogen 2.622 N/A ASP 99.A N VAL 112.A O no hydrogen 3.060 N/A ILE 100.A N ASP 99.A OD1 no hydrogen 2.450 N/A VAL 101.A N ALA 110.A O no hydrogen 2.948 N/A ASP 103.A N THR 108.A O no hydrogen 3.108 N/A SER 106.A N ASP 103.A OD2 no hydrogen 2.676 N/A SER 106.A OG ASP 103.A OD2 no hydrogen 2.971 N/A SER 106.A OG THR 108.A OG1 no hydrogen 2.979 N/A ARG 107.A N ASP 103.A O no hydrogen 2.773 N/A THR 108.A OG1 LEU 70.A O no hydrogen 2.616 N/A THR 108.A OG1 SER 106.A OG no hydrogen 2.979 N/A ALA 110.A N VAL 101.A O no hydrogen 2.830 N/A LEU 111.A N LYS 68.A O no hydrogen 2.954 N/A VAL 112.A N ASP 99.A O no hydrogen 2.970 N/A PHE 113.A N VAL 66.A O no hydrogen 2.802 N/A GLU 114.A N THR 96.A O no hydrogen 2.951 N/A ASN 118.A N VAL 116.A O no hydrogen 2.548 N/A THR 119.A N ILE 164.A O no hydrogen 3.144 N/A LYS 122.A N ASP 120.A OD1 no hydrogen 3.168 N/A GLN 123.A N ASP 120.A O no hydrogen 3.201 N/A LEU 124.A N ASP 120.A O no hydrogen 2.832 N/A TYR 125.A N PHE 121.A O no hydrogen 3.007 N/A GLN 126.A N GLN 123.A O no hydrogen 3.124 N/A THR 127.A N LEU 124.A O no hydrogen 2.984 N/A LEU 128.A N LEU 124.A O no hydrogen 3.096 N/A THR 129.A N ASP 132.A OD2 no hydrogen 3.133 N/A THR 129.A OG1 ASP 132.A OD2 no hydrogen 3.006 N/A ILE 133.A N THR 129.A O no hydrogen 3.219 N/A ARG 134.A N ASP 130.A O no hydrogen 3.260 N/A ARG 134.A NE TYR 323.A O no hydrogen 2.998 N/A ARG 134.A NH2 ASP 130.A OD1 no hydrogen 2.848 N/A PHE 135.A N TYR 131.A O no hydrogen 2.803 N/A TYR 136.A N ASP 132.A O no hydrogen 2.717 N/A TYR 136.A OH HIS 166.A ND1 no hydrogen 2.756 N/A MET 137.A N ILE 133.A O no hydrogen 2.945 N/A TYR 138.A N ARG 134.A O no hydrogen 2.992 N/A GLU 139.A N PHE 135.A O no hydrogen 3.060 N/A ILE 140.A N TYR 136.A O no hydrogen 2.895 N/A LEU 141.A N MET 137.A O no hydrogen 3.067 N/A LEU 141.A N TYR 138.A O no hydrogen 2.956 N/A LYS 142.A N TYR 138.A O no hydrogen 3.249 N/A LYS 142.A N GLU 139.A O no hydrogen 3.299 N/A LYS 142.A NZ GLU 139.A OE2 no hydrogen 2.544 N/A LEU 144.A N ILE 140.A O no hydrogen 3.083 N/A ASP 145.A N LEU 141.A O no hydrogen 2.708 N/A TYR 146.A N LYS 142.A O no hydrogen 2.725 N/A CYS 147.A N ALA 143.A O no hydrogen 2.895 N/A CYS 147.A SG ALA 143.A O no hydrogen 3.475 N/A CYS 147.A SG LEU 144.A O no hydrogen 3.699 N/A CYS 147.A SG HIS 148.A ND1 no hydrogen 3.738 N/A CYS 147.A SG ILE 152.A O no hydrogen 3.469 N/A HIS 148.A N LEU 144.A O no hydrogen 2.998 N/A HIS 148.A ND1 ILE 152.A O no hydrogen 3.219 N/A SER 149.A N ASP 145.A O no hydrogen 2.993 N/A SER 149.A OG ASP 145.A O no hydrogen 3.069 N/A SER 149.A OG TYR 146.A O no hydrogen 2.865 N/A MET 150.A N CYS 147.A O no hydrogen 3.098 N/A GLY 151.A N HIS 148.A O no hydrogen 2.871 N/A ILE 152.A N CYS 147.A O no hydrogen 2.813 N/A MET 153.A N GLU 180.A O no hydrogen 3.063 N/A HIS 154.A N ASP 214.A OD2 no hydrogen 2.876 N/A HIS 154.A NE2 ILE 174.A O no hydrogen 3.013 N/A ARG 155.A N ASP 214.A OD1 no hydrogen 2.888 N/A ARG 155.A NE TYR 209.A OH no hydrogen 3.347 N/A ARG 155.A NH1 TYR 209.A OH no hydrogen 3.466 N/A ARG 155.A NH2 LEU 178.A O no hydrogen 2.479 N/A ASP 156.A N HIS 154.A ND1 no hydrogen 2.950 N/A LYS 158.A NZ SER 194.A OG no hydrogen 3.061 N/A ASN 161.A N LYS 158.A O no hydrogen 3.023 N/A ASN 161.A ND2 ASP 156.A O no hydrogen 2.922 N/A ASN 161.A ND2 ASP 156.A OD2 no hydrogen 3.199 N/A VAL 162.A N PRO 159.A O no hydrogen 2.712 N/A MET 163.A N ARG 172.A O no hydrogen 2.847 N/A ILE 164.A N ASN 118.A OD1 no hydrogen 2.720 N/A ASP 165.A N LYS 170.A O no hydrogen 2.724 N/A HIS 166.A ND1 TYR 136.A OH no hydrogen 2.756 N/A HIS 168.A ND1 ASP 165.A OD2 no hydrogen 2.754 N/A ARG 169.A N HIS 166.A O no hydrogen 2.880 N/A LYS 170.A N ASP 165.A O no hydrogen 2.978 N/A ARG 172.A N MET 163.A O no hydrogen 2.901 N/A ARG 172.A NE GLU 114.A OE2 no hydrogen 3.034 N/A ARG 172.A NH2 LEU 171.A O no hydrogen 2.618 N/A LEU 173.A N ASN 93.A O no hydrogen 2.828 N/A ILE 174.A N ASN 161.A O no hydrogen 2.859 N/A TRP 176.A NE1 LEU 173.A O no hydrogen 3.002 N/A GLY 177.A N ASP 175.A OD2 no hydrogen 3.215 N/A ALA 179.A N TRP 176.A O no hydrogen 3.402 N/A GLU 180.A N MET 153.A O no hydrogen 3.180 N/A PHE 181.A N GLU 180.A OE2 no hydrogen 2.541 N/A TYR 182.A N GLY 151.A O no hydrogen 2.878 N/A GLN 186.A N HIS 183.A O no hydrogen 3.054 N/A GLN 186.A NE2 HIS 183.A ND1 no hydrogen 3.174 N/A TYR 188.A N GLN 207.A O no hydrogen 2.960 N/A TYR 188.A OH PHE 181.A O no hydrogen 3.157 N/A ARG 191.A N ASN 189.A OD1 no hydrogen 2.637 N/A VAL 192.A N VAL 190.A O no hydrogen 2.704 N/A SER 194.A OG ASP 156.A OD1 no hydrogen 3.127 N/A ARG 195.A NH2 GLY 235.A O no hydrogen 2.932 N/A PHE 197.A N SER 194.A O no hydrogen 2.847 N/A LYS 198.A N ARG 195.A O no hydrogen 2.957 N/A LYS 198.A NZ VAL 192.A O no hydrogen 2.778 N/A LYS 198.A NZ ALA 193.A O no hydrogen 3.569 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.535 N/A LEU 202.A N GLY 199.A O no hydrogen 2.576 N/A LEU 203.A N GLY 199.A O no hydrogen 3.009 N/A VAL 204.A N PRO 200.A O no hydrogen 2.676 N/A ASP 205.A N LEU 202.A O no hydrogen 3.139 N/A TYR 206.A N GLU 201.A O no hydrogen 2.733 N/A TYR 206.A OH VAL 5.A O no hydrogen 2.388 N/A GLN 207.A NE2 TYR 188.A O no hydrogen 3.439 N/A TYR 209.A N GLN 207.A O no hydrogen 2.891 N/A TYR 209.A OH ASN 189.A O no hydrogen 2.676 N/A TYR 211.A OH TYR 12.A O no hydrogen 2.917 N/A SER 212.A N ASP 210.A OD2 no hydrogen 2.708 N/A SER 212.A OG ASP 210.A OD2 no hydrogen 2.568 N/A LEU 213.A N ASP 210.A O no hydrogen 2.993 N/A ASP 214.A N TYR 211.A O no hydrogen 2.886 N/A SER 217.A N LEU 213.A O no hydrogen 3.351 N/A SER 217.A OG PHE 197.A O no hydrogen 2.482 N/A LEU 218.A N ASP 214.A O no hydrogen 2.819 N/A GLY 219.A N MET 215.A O no hydrogen 2.771 N/A CYS 220.A N TRP 216.A O no hydrogen 2.776 N/A CYS 220.A SG TYR 196.A O no hydrogen 3.657 N/A CYS 220.A SG TRP 216.A O no hydrogen 3.547 N/A MET 221.A N SER 217.A O no hydrogen 3.301 N/A LEU 222.A N LEU 218.A O no hydrogen 3.085 N/A ALA 223.A N GLY 219.A O no hydrogen 3.069 N/A SER 224.A N CYS 220.A O no hydrogen 3.242 N/A SER 224.A OG CYS 220.A O no hydrogen 3.557 N/A SER 224.A OG MET 221.A O no hydrogen 2.646 N/A MET 225.A N MET 221.A O no hydrogen 3.019 N/A MET 225.A N LEU 222.A O no hydrogen 2.778 N/A ILE 226.A N LEU 222.A O no hydrogen 3.053 N/A PHE 227.A N ALA 223.A O no hydrogen 3.061 N/A LYS 229.A N SER 224.A O no hydrogen 3.170 N/A LYS 229.A NZ PRO 231.A O no hydrogen 3.464 N/A LYS 229.A NZ PHE 232.A O no hydrogen 3.037 N/A GLY 235.A N PHE 233.A O no hydrogen 3.213 N/A GLY 235.A N GLN 241.A OE1 no hydrogen 2.959 N/A HIS 236.A N ASP 240.A OD2 no hydrogen 2.900 N/A ASP 240.A N ASP 237.A OD1 no hydrogen 2.734 N/A GLN 241.A N ASP 237.A O no hydrogen 2.750 N/A GLN 241.A NE2 PHE 233.A O no hydrogen 3.041 N/A LEU 242.A N ASN 238.A O no hydrogen 3.358 N/A LEU 242.A N TYR 239.A O no hydrogen 3.239 N/A VAL 243.A N TYR 239.A O no hydrogen 3.301 N/A ARG 244.A N ASP 240.A O no hydrogen 2.971 N/A ILE 245.A N GLN 241.A O no hydrogen 3.361 N/A ALA 246.A N LEU 242.A O no hydrogen 2.698 N/A LYS 247.A N VAL 243.A O no hydrogen 2.783 N/A VAL 248.A N ILE 245.A O no hydrogen 2.793 N/A LEU 249.A N ILE 245.A O no hydrogen 2.940 N/A GLY 250.A N ALA 246.A O no hydrogen 2.589 N/A THR 251.A N HIS 276.A O no hydrogen 2.615 N/A THR 251.A OG1 HIS 276.A O no hydrogen 3.200 N/A TYR 255.A N THR 251.A O no hydrogen 3.047 N/A ASP 256.A N GLU 252.A O no hydrogen 2.973 N/A TYR 257.A N ASP 253.A O no hydrogen 2.912 N/A ILE 258.A N LEU 254.A O no hydrogen 3.104 N/A ASP 259.A N TYR 255.A O no hydrogen 3.049 N/A LYS 260.A N ASP 256.A O no hydrogen 3.077 N/A LYS 260.A NZ TYR 261.A OH no hydrogen 3.299 N/A LYS 260.A NZ ASP 308.A OD2 no hydrogen 2.419 N/A TYR 261.A N TYR 257.A O no hydrogen 3.224 N/A TYR 261.A OH ASP 308.A OD1 no hydrogen 2.764 N/A TYR 261.A OH ASP 308.A OD2 no hydrogen 3.066 N/A ASN 262.A N ASP 259.A O no hydrogen 3.130 N/A ASN 262.A ND2 GLY 3.A O no hydrogen 2.463 N/A ILE 263.A N ILE 258.A O no hydrogen 2.887 N/A ARG 268.A N ASP 266.A OD1 no hydrogen 2.581 N/A ARG 268.A NH2 ASP 266.A OD2 no hydrogen 3.526 N/A PHE 269.A N ASP 266.A O no hydrogen 2.846 N/A ASN 270.A N PRO 267.A O no hydrogen 2.987 N/A ILE 272.A N PHE 269.A O no hydrogen 2.798 N/A LEU 273.A N PHE 269.A O no hydrogen 2.759 N/A HIS 276.A N THR 251.A OG1 no hydrogen 2.935 N/A ARG 278.A NH1 ASP 302.A OD1 no hydrogen 2.903 N/A LYS 279.A N VAL 248.A O no hydrogen 2.733 N/A LYS 279.A NZ LYS 247.A O no hydrogen 3.258 N/A LYS 279.A NZ SER 277.A O no hydrogen 2.591 N/A TRP 281.A NE1 ASP 302.A OD1 no hydrogen 3.153 N/A ARG 283.A N ARG 280.A O no hydrogen 2.849 N/A PHE 284.A N TRP 281.A O no hydrogen 3.063 N/A VAL 285.A N GLU 282.A O no hydrogen 2.890 N/A HIS 286.A N ASN 289.A OD1 no hydrogen 2.661 N/A GLU 288.A N HIS 286.A ND1 no hydrogen 2.777 N/A ASN 289.A N HIS 286.A O no hydrogen 3.301 N/A ASN 289.A ND2 PHE 227.A O no hydrogen 3.365 N/A ASN 289.A ND2 PHE 284.A O no hydrogen 2.667 N/A GLN 290.A N HIS 286.A O no hydrogen 3.012 N/A HIS 291.A NE2 GLU 288.A O no hydrogen 2.960 N/A LEU 292.A N ASN 289.A O no hydrogen 2.846 N/A VAL 293.A N GLN 290.A O no hydrogen 3.026 N/A ALA 297.A N SER 294.A OG no hydrogen 3.078 N/A LEU 298.A N SER 294.A O no hydrogen 2.832 N/A ASP 299.A N PRO 295.A O no hydrogen 2.769 N/A PHE 300.A N GLU 296.A O no hydrogen 3.077 N/A LEU 301.A N ALA 297.A O no hydrogen 3.085 N/A ASP 302.A N LEU 298.A O no hydrogen 2.815 N/A LYS 303.A N ASP 299.A O no hydrogen 3.168 N/A LYS 303.A N PHE 300.A O no hydrogen 2.842 N/A LYS 303.A NZ ASP 299.A OD1 no hydrogen 2.567 N/A LEU 304.A N LEU 301.A O no hydrogen 2.928 N/A LEU 305.A N LEU 301.A O no hydrogen 2.956 N/A ARG 306.A NE ASP 302.A O no hydrogen 3.158 N/A ARG 306.A NH1 ASP 302.A OD2 no hydrogen 3.357 N/A TYR 307.A OH GLY 250.A O no hydrogen 3.040 N/A HIS 309.A NE2 SER 7.A OG no hydrogen 3.228 N/A GLN 310.A N ASP 308.A OD1 no hydrogen 2.781 N/A SER 311.A N ASP 308.A O no hydrogen 2.910 N/A SER 311.A OG ASP 308.A O no hydrogen 2.538 N/A ARG 312.A N HIS 309.A O no hydrogen 3.042 N/A ARG 312.A NE SER 212.A O no hydrogen 3.094 N/A ARG 312.A NH1 GLU 201.A OE1 no hydrogen 3.516 N/A ARG 312.A NH1 GLU 201.A OE2 no hydrogen 2.479 N/A ARG 312.A NH1 SER 212.A O no hydrogen 2.700 N/A ARG 312.A NH2 GLU 201.A OE1 no hydrogen 3.446 N/A ARG 312.A NH2 ARG 306.A O no hydrogen 3.003 N/A LEU 313.A N LYS 303.A O no hydrogen 3.260 N/A THR 314.A N GLU 317.A OE1 no hydrogen 2.881 N/A ARG 316.A NH2 ARG 316.A O no hydrogen 3.357 N/A GLU 317.A N THR 314.A OG1 no hydrogen 3.282 N/A ALA 318.A N THR 314.A O no hydrogen 2.878 N/A MET 319.A N ALA 315.A O no hydrogen 3.023 N/A GLU 320.A N GLU 317.A O no hydrogen 2.797 N/A HIS 321.A N ALA 318.A O no hydrogen 2.991 N/A HIS 321.A NE2 ASP 299.A OD2 no hydrogen 2.634 N/A TYR 323.A N HIS 321.A ND1 no hydrogen 2.812 N/A PHE 324.A N HIS 321.A O no hydrogen 2.676 N/A TYR 325.A N PRO 322.A O no hydrogen 3.142 N/A LYS 329.A NZ PHE 324.A O no hydrogen 2.554 N/A LYS 329.A NZ TYR 325.A O no hydrogen 3.263 N/A LYS 329.A NZ VAL 327.A O no hydrogen 2.455 N/A ALA 332.A N ASP 330.A O no hydrogen 2.316 N/A