Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pky_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N LYS 89.A O no hydrogen 2.877 N/A ARG 5.A NE ASP 88.A OD1 no hydrogen 2.727 N/A ARG 5.A NH2 ASP 88.A OD1 no hydrogen 3.466 N/A ARG 5.A NH2 ASP 88.A OD2 no hydrogen 2.859 N/A THR 6.A OG1 PRO 208.A O no hydrogen 2.632 N/A ARG 10.A N PRO 7.A O no hydrogen 3.139 N/A ARG 10.A NE ALA 207.A O no hydrogen 2.821 N/A ARG 10.A NH2 ALA 206.A O no hydrogen 2.837 N/A ARG 10.A NH2 ALA 207.A O no hydrogen 3.533 N/A PHE 11.A N ASP 8.A O no hydrogen 3.074 N/A SER 12.A N GLN 9.A O no hydrogen 3.134 N/A SER 12.A OG.B GLN 9.A O no hydrogen 2.851 N/A TYR 17.A OH SER 59.A OG no hydrogen 2.769 N/A ASN 22.A N TYR 37.A O no hydrogen 3.201 N/A ASN 22.A ND2 TYR 37.A O no hydrogen 2.954 N/A LEU 24.A N ALA 35.A O no hydrogen 2.803 N/A TYR 30.A N LEU 27.A O no hydrogen 2.924 N/A TYR 30.A OH PHE 100.A O no hydrogen 2.522 N/A LEU 33.A N TYR 30.A O no hydrogen 3.260 N/A ARG 34.A N ASP 88.A OD2 no hydrogen 2.818 N/A ALA 35.A N LEU 24.A O no hydrogen 2.971 N/A HIS 36.A N SER 87.A OG no hydrogen 2.930 N/A HIS 36.A ND1 ASP 80.A OD2 no hydrogen 2.789 N/A TYR 37.A N ASN 22.A O no hydrogen 2.854 N/A LEU 38.A N ALA 78.A O no hydrogen 2.874 N/A GLU 40.A N VAL 76.A O no hydrogen 2.866 N/A SER 43.A OG.B ASP 44.A OD1 no hydrogen 3.477 N/A ASP 44.A N ASN 42.A OD1 no hydrogen 2.979 N/A ALA 45.A N ASN 42.A O no hydrogen 2.985 N/A ASP 47.A N.A GLU 46.A OE2.B no hydrogen 2.629 N/A ASP 47.A N.B GLU 46.A OE2.B no hydrogen 2.624 N/A VAL 48.A N ASN 116.A O no hydrogen 3.202 N/A PHE 49.A N ARG 75.A O no hydrogen 2.825 N/A LEU 50.A N THR 118.A O no hydrogen 2.825 N/A CYS 51.A N ILE 77.A O no hydrogen 2.881 N/A CYS 51.A SG PHE 49.A O no hydrogen 4.020 N/A LEU 52.A N VAL 120.A O no hydrogen 2.969 N/A HIS 53.A ND1 GLY 54.A O no hydrogen 2.860 N/A GLU 55.A N ASP 123.A OD2 no hydrogen 2.801 N/A THR 57.A N GLY 54.A O no hydrogen 2.972 N/A THR 57.A OG1 GLY 54.A O no hydrogen 2.989 N/A TRP 58.A NE1 ALA 204.A O no hydrogen 2.956 N/A SER 59.A N ASP 80.A OD1 no hydrogen 2.808 N/A SER 59.A OG TYR 17.A OH no hydrogen 2.769 N/A SER 59.A OG ASP 80.A OD1 no hydrogen 2.717 N/A TYR 60.A OH ASP 15.A O no hydrogen 2.698 N/A LEU 61.A N TRP 58.A O no hydrogen 2.806 N/A TYR 62.A N SER 59.A O no hydrogen 2.874 N/A TYR 62.A OH LEU 52.A O no hydrogen 2.746 N/A ARG 63.A N TYR 60.A O no hydrogen 3.070 N/A ARG 63.A NH1 TYR 60.A O no hydrogen 3.039 N/A ARG 63.A NH1 GLU 292.A OE2 no hydrogen 3.428 N/A ARG 63.A NH2 GLU 201.A OE2 no hydrogen 2.843 N/A ARG 63.A NH2 GLU 292.A OE1 no hydrogen 2.953 N/A LYS 64.A NZ GLU 292.A O no hydrogen 3.364 N/A LYS 64.A NZ GLU 292.A OE1 no hydrogen 3.332 N/A MET 65.A N TYR 62.A O no hydrogen 2.935 N/A ILE 66.A N TYR 62.A O no hydrogen 2.915 N/A PHE 69.A N MET 65.A O no hydrogen 3.019 N/A ALA 70.A N ILE 66.A O no hydrogen 2.817 N/A GLU 71.A N PRO 67.A O no hydrogen 2.891 N/A SER 72.A N VAL 68.A O no hydrogen 3.268 N/A SER 72.A N PHE 69.A O no hydrogen 3.254 N/A SER 72.A OG PHE 69.A O no hydrogen 2.613 N/A GLY 73.A N ALA 70.A O no hydrogen 2.957 N/A ARG 75.A N ASP 47.A O no hydrogen 2.992 N/A ARG 75.A NE ASP 39.A OD1 no hydrogen 2.889 N/A ARG 75.A NE ASP 39.A OD2 no hydrogen 3.440 N/A ARG 75.A NH2 ASP 39.A OD2 no hydrogen 2.783 N/A VAL 76.A N GLU 40.A O no hydrogen 2.870 N/A ILE 77.A N PHE 49.A O no hydrogen 2.840 N/A ALA 78.A N LEU 38.A O no hydrogen 3.040 N/A ASP 80.A N HIS 36.A O no hydrogen 2.958 N/A PHE 81.A N HIS 53.A NE2 no hydrogen 3.027 N/A GLY 83.A N ASP 88.A O no hydrogen 2.870 N/A PHE 84.A N PHE 81.A O no hydrogen 2.994 N/A LYS 86.A N ASP 80.A OD2 no hydrogen 2.842 N/A SER 87.A N PHE 84.A O no hydrogen 2.980 N/A SER 87.A OG ASP 80.A O no hydrogen 2.571 N/A ASP 88.A N ARG 34.A O no hydrogen 2.911 N/A LYS 89.A N ILE 4.A O no hydrogen 2.804 N/A LYS 89.A NZ THR 6.A OG1 no hydrogen 2.812 N/A LYS 89.A NZ GLY 85.A O no hydrogen 2.761 N/A LYS 89.A NZ SER 87.A O no hydrogen 2.847 N/A VAL 91.A N ASN 2.A O no hydrogen 2.980 N/A ASP 95.A N ASP 92.A O no hydrogen 3.011 N/A TYR 96.A N GLU 93.A O no hydrogen 3.016 N/A TYR 96.A OH PRO 90.A O no hydrogen 2.642 N/A PHE 100.A N THR 97.A OG1 no hydrogen 2.949 N/A HIS 101.A N THR 97.A O no hydrogen 3.064 N/A ARG 102.A N PHE 98.A O no hydrogen 2.868 N/A ARG 102.A NE THR 131.A O no hydrogen 3.349 N/A ARG 102.A NE THR 131.A OG1 no hydrogen 2.924 N/A ARG 102.A NH2 THR 131.A O no hydrogen 2.867 N/A ASN 103.A N GLU 99.A O no hydrogen 2.819 N/A PHE 104.A N PHE 100.A O no hydrogen 3.405 N/A LEU 105.A N HIS 101.A O no hydrogen 3.281 N/A LEU 106.A N ARG 102.A O no hydrogen 3.020 N/A ALA 107.A N ASN 103.A O no hydrogen 2.857 N/A LEU 108.A N PHE 104.A O no hydrogen 2.906 N/A ILE 109.A N LEU 105.A O no hydrogen 2.956 N/A GLU 110.A N LEU 106.A O no hydrogen 3.021 N/A ARG 111.A N ALA 107.A O no hydrogen 2.857 N/A ARG 111.A NH1 ASP 25.A O no hydrogen 2.938 N/A ARG 111.A NH2 ASP 25.A O no hydrogen 3.204 N/A ARG 111.A NH2 ASP 26.A O no hydrogen 2.826 N/A LEU 112.A N LEU 108.A O no hydrogen 3.047 N/A ASP 113.A N GLU 110.A O no hydrogen 3.067 N/A LEU 114.A N ILE 109.A O no hydrogen 3.022 N/A ARG 115.A NH2 SER 138.A OG no hydrogen 2.622 N/A ASN 116.A ND2 GLU 46.A O.A no hydrogen 3.136 N/A ASN 116.A ND2 GLU 46.A O.B no hydrogen 3.681 N/A ILE 117.A N ARG 139.A O no hydrogen 2.837 N/A THR 118.A N VAL 48.A O no hydrogen 2.772 N/A LEU 119.A N ARG 142.A O no hydrogen 2.908 N/A VAL 120.A N LEU 50.A O no hydrogen 2.847 N/A VAL 121.A N ILE 144.A O no hydrogen 3.015 N/A GLN 122.A NE2 HIS 288.A O no hydrogen 2.912 N/A ASP 123.A N ASN 147.A O no hydrogen 2.822 N/A TRP 124.A N ASP 123.A OD2 no hydrogen 2.611 N/A GLY 126.A N GLN 122.A O no hydrogen 3.247 N/A GLY 126.A N ASP 123.A O no hydrogen 2.665 N/A PHE 127.A N ASP 123.A O no hydrogen 2.965 N/A LEU 128.A N TRP 124.A O no hydrogen 2.959 N/A GLY 129.A N GLY 125.A O no hydrogen 2.808 N/A LEU 130.A N GLY 126.A O no hydrogen 2.815 N/A THR 131.A N LEU 128.A O no hydrogen 2.942 N/A THR 131.A OG1 LEU 128.A O no hydrogen 2.665 N/A LEU 132.A N GLY 129.A O no hydrogen 3.076 N/A ALA 135.A N LEU 132.A O no hydrogen 2.964 N/A ASP 136.A N PRO 133.A O no hydrogen 3.092 N/A ARG 139.A N ASP 136.A O no hydrogen 3.246 N/A ARG 139.A NE ASP 136.A OD2 no hydrogen 2.885 N/A ARG 139.A NH1 ASP 113.A OD1 no hydrogen 2.761 N/A ARG 139.A NH1 LEU 114.A O no hydrogen 2.682 N/A ARG 139.A NH2 ASP 113.A OD1 no hydrogen 3.113 N/A PHE 140.A N PRO 137.A O no hydrogen 3.241 N/A LYS 141.A N ILE 117.A O no hydrogen 2.799 N/A LYS 141.A NZ ASP 47.A OD1.A no hydrogen 2.864 N/A LYS 141.A NZ ASP 47.A OD1.B no hydrogen 2.785 N/A ARG 142.A N ILE 117.A O no hydrogen 3.160 N/A ARG 142.A NE.A GLN 250.A OE1 no hydrogen 3.499 N/A ARG 142.A NE.B THR 118.A OG1 no hydrogen 2.839 N/A ARG 142.A NH1.A THR 118.A OG1 no hydrogen 3.132 N/A ARG 142.A NH2.B THR 118.A OG1 no hydrogen 3.059 N/A LEU 143.A N GLN 250.A O no hydrogen 2.877 N/A ILE 144.A N LEU 119.A O no hydrogen 2.679 N/A ILE 145.A N PHE 252.A O no hydrogen 2.919 N/A MET 146.A N VAL 121.A O no hydrogen 2.947 N/A ASN 147.A ND2 GLY 256.A O no hydrogen 3.330 N/A ASN 147.A ND2 ASP 259.A OD2 no hydrogen 2.776 N/A THR 152.A OG1 ASP 153.A OD1 no hydrogen 3.185 N/A THR 152.A OG1 THR 237.A OG1 no hydrogen 3.026 N/A VAL 155.A N ASP 153.A OD2 no hydrogen 3.199 N/A THR 156.A N ASP 153.A OD2 no hydrogen 3.118 N/A THR 156.A OG1 ASP 153.A OD1 no hydrogen 2.552 N/A THR 156.A OG1 ASP 153.A OD2 no hydrogen 3.099 N/A GLN 157.A N ASP 153.A O no hydrogen 3.322 N/A PHE 160.A N GLN 157.A O no hydrogen 2.998 N/A SER 161.A N PRO 158.A O no hydrogen 3.114 N/A ALA 162.A N PRO 158.A O no hydrogen 2.898 N/A VAL 164.A N SER 161.A O no hydrogen 3.128 N/A THR 165.A N ALA 162.A O no hydrogen 3.169 N/A THR 165.A OG1 ALA 162.A O no hydrogen 3.388 N/A GLY 170.A N PRO 167.A O no hydrogen 2.883 N/A THR 172.A OG1 VAL 164.A O no hydrogen 3.168 N/A TRP 174.A N GLY 170.A O no hydrogen 2.969 N/A LYS 175.A N PHE 171.A O no hydrogen 2.777 N/A TYR 176.A N THR 172.A O no hydrogen 2.996 N/A ASP 177.A N ALA 173.A O no hydrogen 2.776 N/A LEU 178.A N TRP 174.A O no hydrogen 3.096 N/A LEU 178.A N LYS 175.A O no hydrogen 3.019 N/A VAL 179.A N LYS 175.A O no hydrogen 2.867 N/A THR 180.A N TYR 176.A O no hydrogen 3.240 N/A THR 180.A OG1.A TYR 176.A O no hydrogen 2.904 N/A THR 180.A OG1.B TYR 176.A O no hydrogen 2.631 N/A PHE 189.A N ARG 185.A O no hydrogen 3.043 N/A MET 190.A N LEU 186.A O no hydrogen 2.823 N/A LYS 191.A N ASP 187.A O no hydrogen 2.996 N/A LYS 191.A NZ.A GLU 199.A OE1 no hydrogen 3.202 N/A LYS 191.A NZ.A GLU 199.A OE2 no hydrogen 3.117 N/A LYS 191.A NZ.B PRO 195.A O no hydrogen 2.641 N/A LYS 191.A NZ.B LEU 197.A O no hydrogen 2.654 N/A ARG 192.A N GLN 188.A O no hydrogen 3.076 N/A ARG 192.A NH1 ASP 177.A OD2 no hydrogen 3.297 N/A TRP 193.A N PHE 189.A O no hydrogen 2.978 N/A TRP 193.A NE1 ASP 177.A OD2 no hydrogen 3.070 N/A ALA 194.A N MET 190.A O no hydrogen 2.718 N/A LEU 197.A N ALA 194.A O no hydrogen 3.067 N/A THR 198.A N GLU 201.A OE1 no hydrogen 3.097 N/A GLU 201.A N THR 198.A OG1 no hydrogen 3.307 N/A ALA 202.A N THR 198.A O no hydrogen 2.969 N/A SER 203.A N GLU 199.A O no hydrogen 2.880 N/A SER 203.A OG.B GLU 199.A O no hydrogen 2.794 N/A SER 203.A OG.C GLU 199.A O no hydrogen 3.356 N/A SER 203.A OG.C ALA 200.A O no hydrogen 2.452 N/A ALA 204.A N GLU 201.A O no hydrogen 2.990 N/A TYR 205.A N ALA 202.A O no hydrogen 2.969 N/A TYR 205.A OH GLU 292.A OE2 no hydrogen 3.319 N/A ALA 206.A N SER 203.A O no hydrogen 2.996 N/A ALA 207.A N SER 203.A O no hydrogen 2.989 N/A PHE 209.A N ALA 206.A O no hydrogen 2.928 N/A SER 213.A N ASP 211.A OD1 no hydrogen 2.794 N/A SER 213.A OG ASP 211.A OD1 no hydrogen 2.633 N/A TYR 214.A N ASP 211.A O no hydrogen 3.060 N/A GLN 215.A N THR 212.A O no hydrogen 3.076 N/A GLN 215.A NE2 LEU 184.A O no hydrogen 2.964 N/A ARG 219.A N GLN 215.A O no hydrogen 2.880 N/A ARG 219.A NE GLU 93.A OE2 no hydrogen 2.776 N/A ARG 219.A NH1 THR 212.A O no hydrogen 2.818 N/A LYS 220.A N ALA 216.A O no hydrogen 3.055 N/A LYS 220.A NZ GLU 93.A O no hydrogen 3.038 N/A LYS 220.A NZ TYR 96.A O no hydrogen 2.758 N/A PHE 221.A N GLY 217.A O no hydrogen 3.347 N/A LYS 223.A NZ GLU 93.A OE1 no hydrogen 2.821 N/A LYS 223.A NZ GLU 93.A OE2 no hydrogen 3.532 N/A MET 224.A N LYS 220.A O no hydrogen 3.070 N/A MET 224.A N PHE 221.A O no hydrogen 3.002 N/A VAL 225.A N PHE 221.A O no hydrogen 3.217 N/A VAL 225.A N PRO 222.A O no hydrogen 3.226 N/A ALA 226.A N PRO 222.A O no hydrogen 3.143 N/A GLN 227.A N LYS 223.A O no hydrogen 2.897 N/A GLN 227.A NE2.A ALA 226.A O no hydrogen 2.776 N/A ARG 228.A NE VAL 225.A O no hydrogen 2.891 N/A ARG 228.A NH1 THR 152.A O no hydrogen 2.843 N/A ARG 228.A NH1 PHE 160.A O no hydrogen 2.838 N/A ARG 228.A NH2 PHE 160.A O no hydrogen 2.821 N/A ARG 228.A NH2 VAL 225.A O no hydrogen 3.345 N/A CYS 232.A N ASP 229.A OD1 no hydrogen 2.762 N/A CYS 232.A SG MET 151.A O no hydrogen 3.486 N/A ILE 233.A N ASP 229.A O no hydrogen 2.991 N/A ASP 234.A N GLN 230.A O no hydrogen 2.882 N/A ILE 235.A N ALA 231.A O no hydrogen 2.919 N/A SER 236.A N CYS 232.A O no hydrogen 2.908 N/A SER 236.A OG CYS 232.A O no hydrogen 2.795 N/A THR 237.A N ILE 233.A O no hydrogen 2.897 N/A THR 237.A OG1 THR 152.A OG1 no hydrogen 3.026 N/A THR 237.A OG1 ILE 233.A O no hydrogen 2.721 N/A GLU 238.A N ASP 234.A O no hydrogen 2.966 N/A ALA 239.A N ILE 235.A O no hydrogen 3.005 N/A ILE 240.A N SER 236.A O no hydrogen 3.259 N/A PHE 242.A N GLU 238.A O no hydrogen 3.217 N/A TRP 243.A N ALA 239.A O no hydrogen 2.970 N/A TRP 243.A NE1 LEU 130.A O no hydrogen 2.773 N/A GLN 244.A N ILE 240.A O no hydrogen 3.057 N/A ASN 245.A N SER 241.A O no hydrogen 2.916 N/A ASN 245.A ND2 SER 241.A O no hydrogen 3.039 N/A ASN 245.A ND2 SER 241.A OG no hydrogen 3.232 N/A ASP 246.A N PHE 242.A O no hydrogen 2.822 N/A TRP 247.A N PHE 242.A O no hydrogen 2.961 N/A TRP 247.A NE1 THR 251.A OG1 no hydrogen 3.004 N/A GLN 250.A N LYS 141.A O no hydrogen 3.265 N/A GLN 250.A NE2 THR 308.A O no hydrogen 2.737 N/A PHE 252.A N LEU 143.A O no hydrogen 2.914 N/A ALA 254.A N ILE 145.A O no hydrogen 2.926 N/A ILE 255.A N LEU 281.A O no hydrogen 2.835 N/A GLY 256.A N ASN 147.A OD1 no hydrogen 2.862 N/A MET 257.A N ILE 283.A O no hydrogen 3.048 N/A LYS 258.A N ALA 286.A O no hydrogen 2.902 N/A LYS 258.A NZ ASP 285.A OD1 no hydrogen 2.802 N/A ASP 259.A N GLY 256.A O no hydrogen 3.144 N/A LYS 260.A NZ ASP 169.A OD2 no hydrogen 2.974 N/A LEU 261.A N ASP 259.A OD1 no hydrogen 2.800 N/A LEU 262.A N ASP 259.A OD2 no hydrogen 2.898 N/A VAL 266.A N GLY 263.A O no hydrogen 2.936 N/A MET 267.A N GLY 263.A O no hydrogen 2.849 N/A TYR 268.A N PRO 264.A O no hydrogen 3.053 N/A TYR 268.A OH GLU 282.A OE2.A no hydrogen 2.291 N/A MET 270.A N VAL 266.A O no hydrogen 3.081 N/A LYS 271.A N MET 267.A O no hydrogen 2.780 N/A ALA 272.A N TYR 268.A O no hydrogen 3.180 N/A LEU 273.A N MET 270.A O no hydrogen 3.043 N/A ILE 274.A N LYS 271.A O no hydrogen 3.177 N/A ASN 275.A N TRP 243.A O no hydrogen 2.826 N/A ASN 275.A ND2 TRP 247.A O no hydrogen 2.852 N/A CYS 277.A N ILE 274.A O no hydrogen 3.064 N/A CYS 277.A SG PRO 278.A O no hydrogen 3.469 N/A LEU 281.A N MET 253.A O no hydrogen 2.764 N/A ILE 283.A N ILE 255.A O no hydrogen 2.884 N/A ALA 286.A N ILE 283.A O no hydrogen 3.259 N/A HIS 288.A ND1 ASP 259.A OD2 no hydrogen 2.775 N/A HIS 288.A NE2 ASP 123.A OD1 no hydrogen 2.588 N/A GLN 291.A N GLN 291.A OE1 no hydrogen 2.787 N/A GLN 291.A NE2 TYR 62.A OH no hydrogen 3.350 N/A GLU 292.A N PHE 289.A O no hydrogen 3.095 N/A PHE 293.A N VAL 290.A O no hydrogen 2.860 N/A VAL 297.A N PHE 293.A O no hydrogen 3.085 N/A ALA 298.A N GLY 294.A O no hydrogen 2.865 N/A ARG 299.A N GLU 295.A O no hydrogen 2.944 N/A ARG 299.A NE GLU 295.A OE2 no hydrogen 3.144 N/A ARG 299.A NH2 GLU 295.A OE2 no hydrogen 2.815 N/A GLU 300.A N GLN 296.A O no hydrogen 2.846 N/A ALA 301.A N VAL 297.A O no hydrogen 2.866 N/A LEU 302.A N ALA 298.A O no hydrogen 3.002 N/A LYS 303.A N ARG 299.A O no hydrogen 3.097 N/A LYS 303.A NZ GLU 300.A OE2 no hydrogen 2.658 N/A HIS 304.A N GLU 300.A O no hydrogen 2.888 N/A PHE 305.A N ALA 301.A O no hydrogen 2.923 N/A ALA 306.A N LEU 302.A O no hydrogen 2.975 N/A GLU 307.A N LYS 303.A O no hydrogen 2.883 N/A GLU 307.A N HIS 304.A O no hydrogen 3.218 N/A THR 308.A OG1 HIS 304.A O no hydrogen 3.198 N/A