Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4lce_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N THR 24.A O no hydrogen 2.824 N/A ALA 5.A N GLY 46.A O no hydrogen 3.008 N/A LEU 6.A N ALA 26.A O no hydrogen 2.699 N/A LEU 7.A N LEU 48.A O no hydrogen 2.946 N/A CYS 12.A SG ARG 10.A O no hydrogen 3.665 N/A THR 13.A N ASP 11.A OD1 no hydrogen 2.820 N/A THR 13.A OG1 ASP 11.A OD1 no hydrogen 2.580 N/A GLU 15.A N GLU 15.A OE2 no hydrogen 2.673 N/A MET 16.A N CYS 12.A O no hydrogen 3.099 N/A ILE 18.A N GLU 15.A O no hydrogen 3.114 N/A LEU 19.A N GLU 15.A O no hydrogen 2.992 N/A VAL 22.A N LEU 19.A O no hydrogen 3.128 N/A ALA 23.A N LEU 19.A O no hydrogen 3.032 N/A THR 24.A N PRO 2.A O no hydrogen 2.849 N/A ALA 26.A N VAL 4.A O no hydrogen 2.979 N/A CYS 28.A N LEU 6.A O no hydrogen 2.816 N/A CYS 28.A SG LEU 6.A O no hydrogen 3.735 N/A ASP 29.A N GLY 9.A O no hydrogen 3.067 N/A ALA 30.A N LEU 7.A O no hydrogen 2.812 N/A GLU 35.A N SER 32.A O no hydrogen 3.083 N/A ILE 36.A N THR 33.A O no hydrogen 3.270 N/A VAL 40.A N HIS 37.A O no hydrogen 3.127 N/A LEU 41.A N HIS 37.A O no hydrogen 3.349 N/A ASN 42.A N GLU 38.A O no hydrogen 2.816 N/A GLU 43.A N LYS 39.A O no hydrogen 2.731 N/A ALA 44.A N VAL 40.A O no hydrogen 2.822 N/A VAL 45.A N LEU 3.A O no hydrogen 2.702 N/A GLY 46.A N LEU 3.A O no hydrogen 3.219 N/A ALA 47.A N ILE 68.A O no hydrogen 2.861 N/A LEU 48.A N ALA 5.A O no hydrogen 2.859 N/A MET 49.A N VAL 70.A O no hydrogen 3.132 N/A TYR 50.A N ASP 8.A OD1 no hydrogen 2.762 N/A THR 52.A N ASP 8.A OD2 no hydrogen 2.932 N/A THR 52.A OG1 ASP 8.A OD2 no hydrogen 2.374 N/A LEU 55.A N ASN 78.A O no hydrogen 2.899 N/A THR 56.A N ASP 59.A OD2 no hydrogen 2.939 N/A THR 56.A OG1 ASP 59.A OD2 no hydrogen 3.181 N/A ARG 57.A NE SER 83.A OG no hydrogen 3.233 N/A LEU 60.A N THR 56.A O no hydrogen 3.051 N/A GLU 61.A N ARG 57.A O no hydrogen 2.934 N/A GLU 61.A N GLU 58.A O no hydrogen 3.080 N/A LYS 62.A N GLU 58.A O no hydrogen 3.365 N/A LYS 62.A N ASP 59.A O no hydrogen 3.205 N/A LYS 62.A NZ THR 33.A OG1 no hydrogen 3.401 N/A PHE 63.A N LEU 60.A O no hydrogen 3.246 N/A LYS 64.A N LEU 41.A O no hydrogen 2.991 N/A ARG 67.A N VAL 45.A O no hydrogen 2.722 N/A ILE 68.A N VAL 45.A O no hydrogen 3.215 N/A ILE 69.A N ALA 90.A O no hydrogen 2.849 N/A VAL 70.A N ALA 47.A O no hydrogen 2.854 N/A ARG 71.A N CYS 92.A O no hydrogen 2.874 N/A ARG 71.A NE GLY 75.A O no hydrogen 2.737 N/A ARG 71.A NH1 MET 49.A O no hydrogen 3.470 N/A ARG 71.A NH1 ILE 72.A O no hydrogen 2.914 N/A ILE 72.A N MET 49.A O no hydrogen 2.776 N/A ASN 78.A ND2 TYR 50.A O no hydrogen 3.027 N/A ASN 78.A ND2 ILE 53.A O no hydrogen 3.173 N/A ILE 79.A N PHE 76.A O no hydrogen 3.135 N/A ASP 80.A N LEU 55.A O no hydrogen 2.773 N/A SER 83.A N ASP 80.A OD1 no hydrogen 3.045 N/A SER 83.A OG ASP 80.A OD1 no hydrogen 2.907 N/A SER 83.A OG ASP 80.A OD2 no hydrogen 2.591 N/A ALA 84.A N ASP 80.A O no hydrogen 3.199 N/A GLY 85.A N ILE 81.A O no hydrogen 3.083 N/A ASP 86.A N LYS 82.A O no hydrogen 3.024 N/A LEU 87.A N SER 83.A O no hydrogen 2.842 N/A GLY 88.A N GLY 85.A O no hydrogen 2.989 N/A ILE 89.A N ALA 84.A O no hydrogen 2.613 N/A ALA 90.A N ARG 67.A O no hydrogen 3.139 N/A VAL 91.A N ASN 326.A OD1 no hydrogen 3.096 N/A CYS 92.A N ILE 69.A O no hydrogen 2.828 N/A CYS 92.A SG GLU 308.A OE2 no hydrogen 3.450 N/A ASN 93.A N ASN 323.A O no hydrogen 3.151 N/A ASN 93.A ND2 SER 74.A O no hydrogen 2.814 N/A VAL 94.A N GLY 73.A O no hydrogen 2.851 N/A SER 98.A OG.B TRP 292.A O no hydrogen 2.492 N/A GLU 101.A N GLU 101.A OE1 no hydrogen 2.906 N/A THR 102.A N SER 98.A O.A no hydrogen 3.000 N/A THR 102.A N SER 98.A O.B no hydrogen 2.982 N/A THR 102.A OG1 SER 98.A O.A no hydrogen 2.666 N/A THR 102.A OG1 SER 98.A O.B no hydrogen 2.685 N/A ALA 103.A N VAL 99.A O no hydrogen 2.914 N/A ASP 104.A N GLU 100.A O no hydrogen 2.767 N/A SER 105.A N GLU 101.A O no hydrogen 2.868 N/A SER 105.A OG GLU 101.A O no hydrogen 3.062 N/A SER 105.A OG ALA 291.A O no hydrogen 3.185 N/A THR 106.A N THR 102.A O no hydrogen 2.835 N/A THR 106.A OG1 THR 102.A O no hydrogen 2.595 N/A THR 106.A OG1 THR 238.A OG1 no hydrogen 3.085 N/A LEU 107.A N ALA 103.A O no hydrogen 2.860 N/A CYS 108.A N ASP 104.A O no hydrogen 2.900 N/A HIS 109.A N SER 105.A O no hydrogen 2.859 N/A ILE 110.A N THR 106.A O no hydrogen 2.927 N/A LEU 111.A N LEU 107.A O no hydrogen 2.896 N/A ASN 112.A N CYS 108.A O no hydrogen 2.912 N/A LEU 113.A N HIS 109.A O no hydrogen 3.044 N/A LEU 113.A N ILE 110.A O no hydrogen 3.074 N/A TYR 114.A N ILE 110.A O no hydrogen 3.040 N/A TYR 114.A OH GLU 149.A OE1 no hydrogen 2.933 N/A ARG 115.A N LEU 111.A O no hydrogen 2.668 N/A ARG 115.A NH2 ALA 144.A O no hydrogen 3.340 N/A ARG 116.A N ASN 112.A O no hydrogen 2.860 N/A LEU 120.A N ARG 116.A O no hydrogen 2.744 N/A HIS 121.A N ALA 117.A O no hydrogen 2.946 N/A GLN 122.A N THR 118.A O no hydrogen 2.964 N/A ALA 123.A N TRP 119.A O no hydrogen 2.871 N/A LEU 124.A N LEU 120.A O no hydrogen 3.084 N/A ARG 125.A N HIS 121.A O no hydrogen 2.925 N/A GLU 126.A N GLN 122.A O no hydrogen 2.862 N/A GLY 127.A N LEU 124.A O no hydrogen 3.060 N/A THR 128.A N ALA 123.A O no hydrogen 3.199 N/A THR 128.A OG1 ALA 123.A O no hydrogen 2.907 N/A GLN 131.A N GLN 135.A OE1 no hydrogen 2.757 N/A SER 132.A N GLN 135.A OE1 no hydrogen 2.974 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.980 N/A GLN 135.A N SER 132.A OG no hydrogen 3.177 N/A ILE 136.A N SER 132.A O no hydrogen 2.865 N/A ARG 137.A N VAL 133.A O no hydrogen 2.802 N/A GLU 138.A N GLU 134.A O no hydrogen 3.053 N/A VAL 139.A N GLN 135.A O no hydrogen 2.910 N/A ALA 140.A N ILE 136.A O no hydrogen 2.870 N/A SER 141.A N GLU 138.A O no hydrogen 3.145 N/A ALA 143.A N ALA 140.A O no hydrogen 2.953 N/A ALA 144.A N TYR 114.A O no hydrogen 2.931 N/A GLY 148.A N GLY 171.A O no hydrogen 2.981 N/A GLU 149.A N ILE 146.A O no hydrogen 2.895 N/A THR 150.A N ASP 205.A OD2 no hydrogen 2.755 N/A LEU 151.A N ASN 173.A O no hydrogen 2.767 N/A GLY 152.A N CYS 206.A O no hydrogen 2.787 N/A ILE 153.A N LEU 175.A O no hydrogen 2.790 N/A ILE 154.A N THR 208.A O no hydrogen 3.040 N/A GLY 155.A N TYR 177.A O no hydrogen 2.937 N/A LEU 156.A N ASP 178.A OD2 no hydrogen 2.883 N/A GLN 161.A N GLY 157.A O no hydrogen 2.979 N/A GLN 161.A NE2 LEU 156.A O no hydrogen 2.871 N/A ALA 162.A N ARG 158.A O no hydrogen 3.098 N/A VAL 163.A N VAL 159.A O no hydrogen 2.824 N/A ALA 164.A N GLY 160.A O no hydrogen 2.900 N/A LEU 165.A N GLN 161.A O no hydrogen 3.109 N/A ARG 166.A N ALA 162.A O no hydrogen 3.235 N/A ARG 166.A NE ASP 104.A OD1 no hydrogen 2.713 N/A ARG 166.A NH1 ALA 162.A O no hydrogen 3.058 N/A ARG 166.A NH2 GLU 100.A OE1 no hydrogen 3.037 N/A ARG 166.A NH2 ASP 104.A OD1 no hydrogen 3.208 N/A ALA 167.A N VAL 163.A O no hydrogen 2.868 N/A LYS 168.A N ALA 164.A O no hydrogen 3.091 N/A LYS 168.A NZ LEU 189.A O no hydrogen 2.934 N/A ALA 169.A N ARG 166.A O no hydrogen 3.101 N/A PHE 170.A N ALA 167.A O no hydrogen 3.068 N/A GLY 171.A N LYS 168.A O no hydrogen 2.982 N/A ASN 173.A N GLU 149.A O no hydrogen 2.782 N/A LEU 175.A N LEU 151.A O no hydrogen 2.917 N/A PHE 176.A N GLN 192.A O no hydrogen 2.934 N/A TYR 177.A N ILE 153.A O no hydrogen 2.913 N/A TYR 180.A N ASP 178.A OD1 no hydrogen 3.223 N/A LEU 181.A N ASP 178.A O no hydrogen 3.525 N/A GLY 184.A N GLU 186.A OE1 no hydrogen 3.271 N/A GLY 184.A N GLU 186.A OE2 no hydrogen 3.117 N/A GLU 186.A N GLU 186.A OE2 no hydrogen 2.759 N/A ARG 187.A N GLY 184.A O no hydrogen 3.134 N/A ALA 188.A N GLY 184.A O no hydrogen 3.060 N/A LEU 189.A N VAL 185.A O no hydrogen 3.103 N/A GLY 190.A N ARG 187.A O no hydrogen 3.175 N/A LEU 191.A N GLU 186.A O no hydrogen 2.754 N/A GLN 192.A N VAL 174.A O no hydrogen 3.429 N/A ARG 193.A NH1 LEU 181.A O no hydrogen 3.475 N/A ARG 193.A NH1 SER 182.A O no hydrogen 3.376 N/A ARG 193.A NH1 GLU 186.A OE2 no hydrogen 3.413 N/A ARG 193.A NH2 LEU 181.A O no hydrogen 2.818 N/A VAL 194.A N PHE 176.A O no hydrogen 2.863 N/A ASP 199.A N THR 196.A OG1 no hydrogen 2.899 N/A LEU 200.A N THR 196.A O no hydrogen 3.181 N/A LEU 201.A N LEU 197.A O no hydrogen 2.954 N/A PHE 202.A N GLN 198.A O no hydrogen 2.937 N/A HIS 203.A N ASP 199.A O no hydrogen 3.202 N/A HIS 203.A N LEU 200.A O no hydrogen 3.300 N/A HIS 203.A ND1 ASP 199.A O no hydrogen 2.994 N/A SER 204.A OG LEU 200.A O no hydrogen 2.759 N/A ASP 205.A N THR 150.A O no hydrogen 2.828 N/A CYS 206.A N THR 150.A O no hydrogen 3.128 N/A VAL 207.A N PHE 234.A O no hydrogen 2.924 N/A THR 208.A N GLY 152.A O no hydrogen 2.936 N/A THR 208.A OG1 HIS 210.A NE2 no hydrogen 2.669 N/A LEU 209.A N VAL 236.A O no hydrogen 3.061 N/A HIS 210.A N ILE 154.A O no hydrogen 2.856 N/A CYS 211.A SG GLY 212.A O no hydrogen 3.800 N/A ASN 214.A N ASN 217.A OD1 no hydrogen 2.677 N/A HIS 216.A N ASN 214.A OD1 no hydrogen 3.010 N/A ASN 217.A N ASN 214.A O no hydrogen 3.294 N/A ASN 217.A ND2 GLY 212.A O no hydrogen 2.820 N/A HIS 219.A N GLY 242.A O no hydrogen 2.791 N/A HIS 219.A NE2 GLU 267.A OE2 no hydrogen 2.740 N/A LEU 220.A N ASN 217.A O no hydrogen 3.164 N/A ILE 221.A N LEU 243.A O no hydrogen 2.916 N/A ASN 222.A N THR 225.A OG1 no hydrogen 2.863 N/A ASN 222.A ND2 HIS 219.A O no hydrogen 2.869 N/A THR 225.A N ASN 222.A OD1 no hydrogen 2.807 N/A THR 225.A OG1 LEU 220.A O no hydrogen 2.622 N/A VAL 226.A N ASN 222.A O no hydrogen 2.828 N/A LYS 227.A N PHE 224.A O no hydrogen 2.995 N/A GLN 228.A N THR 225.A O no hydrogen 2.754 N/A MET 229.A N VAL 226.A O no hydrogen 3.163 N/A ARG 230.A NE PHE 202.A O no hydrogen 3.305 N/A ARG 230.A NH1 ASP 205.A OD1 no hydrogen 2.762 N/A GLY 232.A N ARG 257.A O no hydrogen 2.778 N/A ALA 233.A N ARG 230.A O no hydrogen 3.239 N/A PHE 234.A N ASP 205.A O no hydrogen 3.051 N/A LEU 235.A N GLY 260.A O no hydrogen 3.020 N/A VAL 236.A N VAL 207.A O no hydrogen 2.799 N/A ASN 237.A N ALA 262.A O no hydrogen 2.866 N/A ASN 237.A ND2 ARG 240.A O no hydrogen 3.018 N/A THR 238.A OG1 THR 106.A OG1 no hydrogen 3.085 N/A ALA 239.A N ASN 237.A OD1 no hydrogen 2.849 N/A ARG 240.A NE ASP 77.A OD1 no hydrogen 2.729 N/A ARG 240.A NH1 ALA 239.A O no hydrogen 2.970 N/A LEU 243.A N ARG 240.A O no hydrogen 3.207 N/A VAL 244.A N GLY 241.A O no hydrogen 3.363 N/A ASP 245.A N ILE 221.A O no hydrogen 2.881 N/A GLU 246.A N GLU 267.A OE1 no hydrogen 3.118 N/A ALA 248.A N ASP 245.A OD1 no hydrogen 3.129 N/A LEU 249.A N ASP 245.A O no hydrogen 2.923 N/A ALA 250.A N GLU 246.A O no hydrogen 2.765 N/A GLN 251.A N LYS 247.A O no hydrogen 3.187 N/A ALA 252.A N ALA 248.A O no hydrogen 3.037 N/A LEU 253.A N LEU 249.A O no hydrogen 2.857 N/A LYS 254.A N ALA 250.A O no hydrogen 2.870 N/A GLU 255.A N GLN 251.A O no hydrogen 2.814 N/A GLY 256.A N LEU 253.A O no hydrogen 3.106 N/A ILE 258.A N ALA 252.A O no hydrogen 3.248 N/A ARG 259.A N ALA 233.A O no hydrogen 2.917 N/A ARG 259.A NE GLY 232.A O no hydrogen 3.095 N/A ARG 259.A NH2 GLY 232.A O no hydrogen 3.528 N/A ALA 261.A N ASN 283.A O no hydrogen 3.037 N/A ALA 262.A N LEU 235.A O no hydrogen 2.939 N/A LEU 263.A N ILE 285.A O no hydrogen 2.842 N/A ASP 264.A N ASN 237.A O no hydrogen 2.960 N/A HIS 266.A N GLU 269.A OE2 no hydrogen 2.913 N/A GLU 267.A N GLU 246.A OE2 no hydrogen 2.733 N/A SER 274.A N SER 272.A OG no hydrogen 2.984 N/A LYS 279.A N GLY 276.A O no hydrogen 3.142 N/A ALA 281.A N LEU 278.A O no hydrogen 2.875 N/A ILE 285.A N ALA 261.A O no hydrogen 2.893 N/A THR 287.A N LEU 263.A O no hydrogen 2.893 N/A THR 287.A OG1 ASP 264.A OD1 no hydrogen 2.284 N/A HIS 289.A N ASP 264.A O no hydrogen 2.855 N/A HIS 289.A N THR 287.A O no hydrogen 3.093 N/A HIS 289.A ND1 GLU 269.A OE1 no hydrogen 2.602 N/A ALA 290.A N ASP 264.A OD1 no hydrogen 2.943 N/A ALA 291.A N ASP 264.A OD2 no hydrogen 2.998 N/A TRP 292.A NE1 HIS 289.A O no hydrogen 2.807 N/A TYR 293.A N ALA 290.A O no hydrogen 3.049 N/A SER 294.A OG GLU 101.A OE2 no hydrogen 2.609 N/A ALA 297.A N SER 294.A OG no hydrogen 2.950 N/A SER 298.A N SER 294.A O no hydrogen 2.922 N/A ILE 299.A N GLU 295.A O no hydrogen 3.046 N/A GLU 300.A N GLN 296.A O no hydrogen 2.814 N/A MET 301.A N ALA 297.A O no hydrogen 2.958 N/A ARG 302.A N SER 298.A O no hydrogen 3.118 N/A ARG 302.A NE GLU 15.A OE1 no hydrogen 2.992 N/A ARG 302.A NH2 ASP 11.A OD1 no hydrogen 3.058 N/A ARG 302.A NH2 GLU 15.A OE2 no hydrogen 2.972 N/A GLU 303.A N ILE 299.A O no hydrogen 2.998 N/A GLU 304.A N GLU 300.A O no hydrogen 3.047 N/A ALA 305.A N MET 301.A O no hydrogen 2.879 N/A ALA 306.A N ARG 302.A O no hydrogen 2.922 N/A ARG 307.A N GLU 303.A O no hydrogen 3.007 N/A ARG 307.A NH1 GLU 304.A OE1 no hydrogen 2.876 N/A GLU 308.A N GLU 304.A O no hydrogen 2.977 N/A ILE 309.A N ALA 305.A O no hydrogen 2.997 N/A ARG 310.A N ALA 306.A O no hydrogen 2.918 N/A ARG 311.A N ARG 307.A O no hydrogen 2.785 N/A ARG 311.A NE GLU 308.A OE1 no hydrogen 2.982 N/A ARG 311.A NH2 GLU 304.A OE2 no hydrogen 2.861 N/A ARG 311.A NH2 GLU 308.A OE1 no hydrogen 2.879 N/A ALA 312.A N GLU 308.A O no hydrogen 2.906 N/A ILE 313.A N ILE 309.A O no hydrogen 2.995 N/A THR 314.A N ARG 310.A O no hydrogen 2.813 N/A THR 314.A OG1 ARG 310.A O no hydrogen 2.751 N/A GLY 315.A N ARG 311.A O no hydrogen 3.015 N/A ARG 316.A N SER 320.A OG no hydrogen 2.676 N/A SER 320.A N ARG 316.A O no hydrogen 2.662 N/A SER 320.A OG ARG 316.A O no hydrogen 3.233 N/A LEU 321.A N PRO 318.A O no hydrogen 3.399 N/A LYS 322.A N GLU 308.A OE1 no hydrogen 3.143 N/A ASN 323.A N GLU 308.A OE2 no hydrogen 2.832 N/A CYS 324.A SG VAL 91.A O no hydrogen 3.451 N/A CYS 324.A SG ASN 326.A OD1 no hydrogen 3.168 N/A VAL 325.A N VAL 91.A O no hydrogen 2.832 N/A ASN 326.A ND2 ILE 81.A O no hydrogen 3.311 N/A ASN 326.A ND2 ILE 89.A O no hydrogen 3.199 N/A