Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3caw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLU 22.A O no hydrogen 3.128 N/A SER 3.A N LYS 20.A O no hydrogen 2.880 N/A TYR 4.A N TYR 313.A O no hydrogen 2.766 N/A SER 5.A N LEU 18.A O no hydrogen 3.027 N/A TYR 7.A N GLY 16.A O no hydrogen 3.050 N/A TYR 7.A OH ASP 32.A OD1 no hydrogen 2.460 N/A LEU 9.A N ARG 14.A O no hydrogen 2.779 N/A VAL 12.A N LEU 276.A O no hydrogen 3.033 N/A ARG 14.A N LEU 9.A O no hydrogen 2.758 N/A ARG 14.A NH1 GLU 38.A OE2 no hydrogen 2.820 N/A ARG 14.A NH2 PRO 35.A O no hydrogen 3.048 N/A ARG 14.A NH2 GLU 38.A OE1 no hydrogen 3.312 N/A GLY 16.A N TYR 7.A O no hydrogen 3.200 N/A VAL 17.A N LEU 33.A O no hydrogen 3.176 N/A LEU 18.A N SER 5.A O no hydrogen 2.783 N/A LEU 19.A N ALA 31.A O no hydrogen 2.733 N/A LYS 20.A N SER 3.A O no hydrogen 2.891 N/A VAL 21.A N GLY 29.A O no hydrogen 2.904 N/A GLU 22.A N LYS 1.A O no hydrogen 2.942 N/A TRP 23.A N LEU 27.A O no hydrogen 2.840 N/A GLY 26.A N TRP 23.A O no hydrogen 3.294 N/A LEU 27.A N ASP 25.A OD1 no hydrogen 3.125 N/A GLY 29.A N VAL 21.A O no hydrogen 2.904 N/A PHE 30.A N ASP 70.A OD2 no hydrogen 2.698 N/A ALA 31.A N LEU 19.A O no hydrogen 3.035 N/A LEU 33.A N VAL 17.A O no hydrogen 3.004 N/A TRP 36.A N ASP 41.A OD2 no hydrogen 2.807 N/A GLU 38.A N GLU 38.A OE1 no hydrogen 2.565 N/A LEU 39.A N TRP 36.A O no hydrogen 2.773 N/A GLY 40.A N PRO 37.A O no hydrogen 2.942 N/A ASP 41.A N TRP 36.A O no hydrogen 3.284 N/A SER 43.A OG GLU 45.A OE1 no hydrogen 2.996 N/A GLU 46.A N SER 43.A OG no hydrogen 3.092 N/A GLN 47.A N SER 43.A O no hydrogen 2.866 N/A GLN 47.A NE2 LEU 42.A O no hydrogen 3.019 N/A GLN 47.A NE2 GLN 59.A OE1 no hydrogen 3.009 N/A LEU 48.A N LEU 44.A O no hydrogen 3.108 N/A SER 49.A N GLU 45.A O no hydrogen 2.935 N/A ASP 50.A N GLU 46.A O no hydrogen 2.819 N/A LEU 51.A N GLN 47.A O no hydrogen 2.925 N/A ARG 52.A N LEU 48.A O no hydrogen 3.144 N/A MET 53.A N SER 49.A O no hydrogen 3.320 N/A GLY 54.A N LEU 51.A O no hydrogen 2.921 N/A ARG 55.A N ASP 50.A O no hydrogen 3.083 N/A ARG 55.A NH2 ASP 50.A OD2 no hydrogen 2.552 N/A THR 57.A OG1 GLN 47.A OE1 no hydrogen 2.715 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 2.985 N/A ILE 60.A N THR 57.A OG1 no hydrogen 3.005 N/A GLU 61.A N THR 57.A O no hydrogen 2.950 N/A GLN 62.A N THR 58.A O no hydrogen 2.917 N/A SER 63.A N GLN 59.A O no hydrogen 2.966 N/A SER 63.A OG ASP 32.A O no hydrogen 2.758 N/A SER 63.A OG GLN 59.A O no hydrogen 3.209 N/A ILE 64.A N ILE 60.A O no hydrogen 2.892 N/A TRP 65.A N GLU 61.A O no hydrogen 2.948 N/A LEU 66.A N GLN 62.A O no hydrogen 2.833 N/A ALA 67.A N SER 63.A O no hydrogen 2.857 N/A ARG 68.A N ILE 64.A O no hydrogen 2.900 N/A ARG 68.A NH1 ASP 25.A OD1 no hydrogen 3.443 N/A ARG 68.A NH1 ASP 25.A OD2 no hydrogen 3.236 N/A ARG 68.A NH2 ASP 25.A OD2 no hydrogen 2.914 N/A ARG 69.A N TRP 65.A O no hydrogen 3.253 N/A ARG 69.A NH1 GLU 257.A OE1 no hydrogen 2.904 N/A ARG 69.A NH2 GLU 257.A OE1 no hydrogen 3.192 N/A ASP 70.A N LEU 66.A O no hydrogen 2.992 N/A ALA 71.A N ALA 67.A O no hydrogen 2.851 N/A LEU 72.A N ARG 68.A O no hydrogen 2.991 N/A LEU 73.A N ARG 69.A O no hydrogen 3.141 N/A ARG 74.A N ASP 70.A O no hydrogen 2.978 N/A ARG 74.A NE ASP 70.A OD1 no hydrogen 3.090 N/A ARG 74.A NE ASP 70.A OD2 no hydrogen 2.634 N/A ARG 74.A NH2 ASP 70.A OD1 no hydrogen 3.133 N/A ARG 74.A NH2 GLY 302.A O no hydrogen 2.792 N/A LYS 75.A N ALA 71.A O no hydrogen 3.086 N/A GLU 76.A N LEU 72.A O no hydrogen 3.092 N/A LYS 77.A N ARG 74.A O no hydrogen 3.154 N/A LYS 78.A N LEU 73.A O no hydrogen 2.905 N/A HIS 79.A N ASP 82.A OD2 no hydrogen 2.672 N/A HIS 79.A NE2 ASN 296.A OD1 no hydrogen 2.841 N/A VAL 80.A N GLY 300.A O no hydrogen 2.786 N/A PHE 81.A N HIS 79.A ND1 no hydrogen 2.903 N/A ASP 82.A N HIS 79.A O no hydrogen 2.981 N/A GLY 84.A N PHE 81.A O no hydrogen 3.014 N/A GLU 85.A N MET 256.A O no hydrogen 3.045 N/A LYS 88.A NZ GLY 111.A O no hydrogen 2.807 N/A ASN 89.A N PRO 291.A O no hydrogen 2.837 N/A ASN 89.A ND2 PRO 291.A O no hydrogen 2.898 N/A ASN 90.A N SER 269.A O no hydrogen 2.910 N/A TYR 91.A N THR 114.A O no hydrogen 2.865 N/A LEU 93.A N LYS 116.A O no hydrogen 2.984 N/A PHE 103.A N LYS 100.A O no hydrogen 3.097 N/A GLY 106.A N GLY 102.A O no hydrogen 3.016 N/A LEU 107.A N PHE 103.A O no hydrogen 2.925 N/A LYS 108.A N LEU 104.A O no hydrogen 2.948 N/A LYS 108.A NZ ASP 105.A OD1 no hydrogen 3.282 N/A LYS 108.A NZ SER 136.A O no hydrogen 3.480 N/A ASN 109.A N ASP 105.A O no hydrogen 3.116 N/A GLU 110.A N LEU 107.A O no hydrogen 3.150 N/A GLY 111.A N LYS 108.A O no hydrogen 3.201 N/A TYR 112.A N LEU 107.A O no hydrogen 3.167 N/A ASN 113.A ND2 GLU 268.A OE2 no hydrogen 2.872 N/A THR 114.A OG1 GLU 268.A OE1 no hydrogen 3.076 N/A VAL 115.A N ARG 139.A O no hydrogen 3.021 N/A LYS 116.A N TYR 91.A O no hydrogen 2.856 N/A LYS 116.A NZ ASP 143.A OD2 no hydrogen 2.859 N/A VAL 117.A N ARG 141.A O no hydrogen 2.806 N/A MET 119.A N ASP 143.A O no hydrogen 2.778 N/A GLY 120.A N GLU 126.A OE1 no hydrogen 2.885 N/A ASP 122.A N GLU 126.A OE2 no hydrogen 2.956 N/A LYS 125.A N ASP 122.A OD2 no hydrogen 2.954 N/A LYS 125.A NZ HIS 95.A O no hydrogen 3.443 N/A GLU 126.A N ASP 122.A O no hydrogen 2.891 N/A ALA 127.A N LEU 123.A O no hydrogen 2.717 N/A ASP 128.A N GLN 124.A O no hydrogen 3.112 N/A MET 129.A N LYS 125.A O no hydrogen 3.120 N/A LEU 130.A N GLU 126.A O no hydrogen 2.965 N/A THR 131.A N ALA 127.A O no hydrogen 3.114 N/A THR 131.A OG1 ALA 127.A O no hydrogen 3.065 N/A HIS 132.A N ASP 128.A O no hydrogen 3.246 N/A ILE 133.A N MET 129.A O no hydrogen 2.988 N/A ALA 134.A N LEU 130.A O no hydrogen 2.807 N/A ALA 135.A N THR 131.A O no hydrogen 2.895 N/A SER 136.A N HIS 132.A O no hydrogen 3.278 N/A SER 136.A N ILE 133.A O no hydrogen 3.011 N/A SER 136.A OG ILE 133.A O no hydrogen 2.621 N/A GLY 137.A N ALA 134.A O no hydrogen 2.882 N/A ARG 139.A N ASN 113.A O no hydrogen 2.824 N/A MET 140.A N LEU 167.A O no hydrogen 2.792 N/A ARG 141.A N VAL 115.A O no hydrogen 2.961 N/A ARG 141.A NE GLU 169.A OE1 no hydrogen 2.737 N/A ARG 141.A NH1 GLU 268.A O no hydrogen 2.916 N/A ARG 141.A NH2 GLU 169.A OE1 no hydrogen 2.946 N/A ARG 141.A NH2 GLU 268.A O no hydrogen 2.659 N/A LEU 142.A N TYR 170.A O no hydrogen 3.099 N/A ASP 143.A N VAL 117.A O no hydrogen 3.021 N/A PHE 144.A N GLU 172.A O no hydrogen 3.178 N/A ASN 145.A N ASP 143.A OD1 no hydrogen 2.939 N/A ALA 146.A N ASP 173.A O no hydrogen 2.715 N/A LEU 147.A N PHE 144.A O no hydrogen 3.009 N/A SER 149.A N THR 152.A OG1 no hydrogen 3.143 N/A SER 149.A OG THR 152.A OG1 no hydrogen 2.797 N/A THR 152.A N SER 149.A OG no hydrogen 3.407 N/A THR 152.A OG1 SER 149.A O no hydrogen 2.981 N/A THR 152.A OG1 SER 149.A OG no hydrogen 2.797 N/A PHE 153.A N SER 149.A O no hydrogen 2.896 N/A GLU 154.A N TRP 150.A O no hydrogen 3.076 N/A LYS 155.A N GLN 151.A O no hydrogen 3.164 N/A PHE 156.A N THR 152.A O no hydrogen 3.022 N/A MET 157.A N PHE 153.A O no hydrogen 2.989 N/A VAL 158.A N GLU 154.A O no hydrogen 3.016 N/A ASN 159.A N LYS 155.A O no hydrogen 3.345 N/A ASN 159.A ND2 LYS 155.A O no hydrogen 2.838 N/A LEU 160.A N MET 157.A O no hydrogen 3.101 N/A VAL 164.A N PRO 161.A O no hydrogen 2.871 N/A ARG 165.A N PRO 161.A O no hydrogen 3.388 N/A ARG 165.A NH2 LEU 188.A O no hydrogen 3.042 N/A LEU 167.A N VAL 164.A O no hydrogen 2.817 N/A ILE 168.A N ARG 165.A O no hydrogen 3.418 N/A GLU 169.A N MET 140.A O no hydrogen 2.769 N/A VAL 171.A N LYS 190.A O no hydrogen 2.932 N/A GLU 172.A N LEU 142.A O no hydrogen 2.650 N/A ASP 173.A N ALA 192.A O no hydrogen 2.960 N/A ALA 181.A N ASP 178.A OD2 no hydrogen 2.909 N/A TRP 182.A N ASP 178.A O no hydrogen 2.910 N/A TRP 182.A NE1 PHE 175.A O no hydrogen 3.040 N/A GLY 183.A N PHE 179.A O no hydrogen 2.963 N/A GLU 184.A N HIS 180.A O no hydrogen 2.899 N/A ALA 185.A N ALA 181.A O no hydrogen 2.983 N/A ARG 186.A N TRP 182.A O no hydrogen 3.209 N/A ARG 186.A NE ASP 211.A OD1 no hydrogen 3.051 N/A ARG 186.A NE ASP 211.A OD2 no hydrogen 3.251 N/A ARG 186.A NH2 ASP 211.A OD1 no hydrogen 2.785 N/A LYS 187.A N GLU 184.A O no hydrogen 3.134 N/A LEU 188.A N ALA 185.A O no hydrogen 2.933 N/A ILE 191.A N ASP 211.A OD2 no hydrogen 2.921 N/A ALA 192.A N VAL 171.A O no hydrogen 2.784 N/A LEU 193.A N VAL 212.A O no hydrogen 2.821 N/A ASP 194.A N ASP 173.A OD1 no hydrogen 2.948 N/A ASN 195.A N ASP 173.A OD2 no hydrogen 2.830 N/A TYR 197.A N ASP 194.A O no hydrogen 3.237 N/A TYR 197.A OH GLN 228.A OE1 no hydrogen 2.462 N/A LYS 199.A N GLN 196.A O no hydrogen 2.814 N/A VAL 200.A N TYR 197.A O no hydrogen 3.275 N/A TRP 202.A N VAL 200.A O no hydrogen 3.046 N/A LYS 204.A N PRO 201.A O no hydrogen 2.889 N/A ILE 205.A N PRO 201.A O no hydrogen 3.173 N/A ASP 211.A N ILE 191.A O no hydrogen 2.786 N/A VAL 212.A N ILE 191.A O no hydrogen 3.058 N/A ILE 213.A N LYS 235.A O no hydrogen 2.995 N/A VAL 214.A N LEU 193.A O no hydrogen 2.954 N/A ILE 215.A N ALA 237.A O no hydrogen 2.768 N/A LYS 216.A N THR 220.A OG1 no hydrogen 3.204 N/A LYS 216.A NZ ASP 194.A OD2 no hydrogen 2.926 N/A LYS 219.A N LYS 216.A O no hydrogen 2.777 N/A LYS 219.A NZ ASP 41.A OD1 no hydrogen 3.238 N/A LYS 219.A NZ TYR 241.A OH no hydrogen 3.362 N/A THR 220.A N LYS 216.A O no hydrogen 2.745 N/A THR 220.A OG1 LYS 216.A O no hydrogen 3.258 N/A LYS 224.A N ASP 221.A OD1 no hydrogen 2.976 N/A ALA 225.A N ASP 221.A O no hydrogen 3.134 N/A VAL 226.A N VAL 222.A O no hydrogen 2.958 N/A ALA 227.A N ASP 223.A O no hydrogen 2.928 N/A GLN 228.A N LYS 224.A O no hydrogen 3.020 N/A CYS 229.A N ALA 225.A O no hydrogen 2.943 N/A CYS 229.A SG LEU 234.A O no hydrogen 2.840 N/A GLN 230.A N VAL 226.A O no hydrogen 2.977 N/A LYS 231.A N ALA 227.A O no hydrogen 2.835 N/A TRP 232.A N GLN 228.A O no hydrogen 3.010 N/A ASN 233.A N GLN 230.A O no hydrogen 3.359 N/A LEU 234.A N CYS 229.A O no hydrogen 2.765 N/A LYS 235.A N ASP 211.A O no hydrogen 3.139 N/A LEU 236.A N MET 265.A O no hydrogen 2.956 N/A ALA 237.A N ILE 213.A O no hydrogen 3.184 N/A THR 239.A N ILE 215.A O no hydrogen 2.949 N/A THR 239.A OG1 SER 240.A O no hydrogen 2.961 N/A SER 240.A N GLY 270.A O no hydrogen 3.073 N/A SER 240.A OG THR 273.A OG1 no hydrogen 2.729 N/A TYR 241.A N ASP 243.A OD1 no hydrogen 2.908 N/A TYR 241.A OH ASP 41.A OD1 no hydrogen 3.359 N/A TYR 241.A OH ASP 41.A OD2 no hydrogen 2.476 N/A HIS 244.A N ASP 32.A OD2 no hydrogen 3.345 N/A VAL 246.A N HIS 244.A ND1 no hydrogen 2.985 N/A VAL 248.A N HIS 244.A O no hydrogen 2.930 N/A VAL 249.A N PRO 245.A O no hydrogen 2.910 N/A HIS 250.A N VAL 246.A O no hydrogen 3.129 N/A HIS 250.A NE2 PHE 30.A O no hydrogen 2.899 N/A ALA 251.A N GLY 247.A O no hydrogen 2.991 N/A VAL 252.A N VAL 248.A O no hydrogen 2.984 N/A GLY 253.A N VAL 249.A O no hydrogen 2.883 N/A VAL 254.A N HIS 250.A O no hydrogen 2.998 N/A ALA 255.A N ALA 251.A O no hydrogen 2.934 N/A MET 256.A N VAL 252.A O no hydrogen 2.856 N/A GLU 257.A N GLY 253.A O no hydrogen 3.146 N/A LEU 258.A N VAL 254.A O no hydrogen 2.967 N/A LYS 259.A N ALA 255.A O no hydrogen 2.903 N/A LYS 259.A NZ LYS 86.A O no hydrogen 2.647 N/A ASP 260.A N MET 256.A O no hydrogen 3.048 N/A LYS 261.A N GLU 257.A O no hydrogen 2.965 N/A LYS 261.A NZ GLU 257.A OE2 no hydrogen 2.945 N/A TYR 262.A N LEU 258.A O no hydrogen 2.679 N/A GLY 263.A N LYS 259.A O no hydrogen 2.864 N/A MET 265.A N TYR 262.A O no hydrogen 3.071 N/A ILE 266.A N GLY 263.A O no hydrogen 2.913 N/A LEU 267.A N LEU 236.A O no hydrogen 2.900 N/A SER 269.A N LYS 88.A O no hydrogen 3.018 N/A SER 269.A OG LYS 88.A O no hydrogen 3.493 N/A SER 269.A OG ASN 89.A OD1 no hydrogen 2.732 N/A GLY 270.A N VAL 238.A O no hydrogen 2.900 N/A CYS 271.A N ASN 89.A OD1 no hydrogen 2.822 N/A CYS 271.A SG VAL 238.A O no hydrogen 3.646 N/A THR 273.A N CYS 271.A O no hydrogen 2.735 N/A THR 273.A OG1 SER 240.A OG no hydrogen 2.729 N/A ARG 275.A NH2 THR 288.A OG1 no hydrogen 2.935 N/A LEU 276.A N THR 273.A O no hydrogen 2.995 N/A TYR 277.A N HIS 274.A O no hydrogen 3.420 N/A TYR 277.A OH MET 242.A O no hydrogen 2.590 N/A GLN 278.A N LYS 10.A O no hydrogen 2.755 N/A GLN 278.A NE2 PRO 11.A O no hydrogen 3.332 N/A PHE 282.A N ASP 280.A OD2 no hydrogen 3.040 N/A ALA 283.A N ASP 280.A OD1 no hydrogen 2.809 N/A ALA 284.A N ASP 280.A O no hydrogen 3.271 N/A GLU 285.A N PHE 282.A O no hydrogen 2.862 N/A LEU 286.A N ALA 283.A O no hydrogen 3.030 N/A GLN 289.A N TYR 292.A O no hydrogen 2.900 N/A TYR 292.A N GLN 289.A O no hydrogen 3.077 N/A LEU 294.A N SER 287.A O no hydrogen 2.860 N/A LYS 295.A NZ ASP 82.A OD1 no hydrogen 2.787 N/A ASN 296.A ND2 VAL 301.A O no hydrogen 2.952 N/A LYS 297.A NZ GLU 285.A OE1 no hydrogen 3.335 N/A THR 299.A N ASP 304.A OD1 no hydrogen 2.771 N/A THR 299.A N ASP 304.A OD2 no hydrogen 3.255 N/A THR 299.A OG1 ASP 304.A OD2 no hydrogen 2.763 N/A GLY 300.A N LYS 78.A O no hydrogen 2.763 N/A VAL 301.A N ASP 70.A OD1 no hydrogen 2.871 N/A GLY 302.A N THR 299.A O no hydrogen 2.768 N/A LEU 307.A N PHE 303.A O no hydrogen 2.869 N/A GLU 308.A N ASP 304.A O no hydrogen 3.031 N/A ALA 309.A N LYS 305.A O no hydrogen 2.947 N/A ALA 309.A N LEU 306.A O no hydrogen 3.252 N/A LEU 310.A N LEU 307.A O no hydrogen 3.229 N/A TRP 312.A NE1 LEU 307.A O no hydrogen 3.079 N/A TYR 313.A N TYR 4.A O no hydrogen 2.816 N/A LEU 315.A N ILE 2.A O no hydrogen 2.693 N/A LYS 316.A N ILE 2.A O no hydrogen 3.091 N/A