Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e91_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ GLU 288.A OE1 no hydrogen 3.040 N/A PHE 8.A N SER 113.A OG no hydrogen 2.983 N/A SER 10.A OG GLU 14.A OE1 no hydrogen 2.779 N/A VAL 13.A N SER 10.A O no hydrogen 2.828 N/A GLU 14.A N SER 10.A O no hydrogen 2.961 N/A GLY 15.A N GLY 11.A O no hydrogen 3.053 N/A CYS 16.A N VAL 13.A O no hydrogen 2.852 N/A CYS 16.A SG LYS 12.A O no hydrogen 3.275 N/A MET 17.A N GLU 14.A O no hydrogen 3.141 N/A VAL 18.A N GLY 29.A O no hydrogen 3.000 N/A GLN 19.A N GLN 69.A O no hydrogen 2.827 N/A VAL 20.A N LEU 27.A O no hydrogen 2.963 N/A THR 21.A N LEU 67.A O no hydrogen 2.798 N/A THR 21.A OG1 THR 26.A OG1 no hydrogen 2.835 N/A CYS 22.A N THR 25.A O no hydrogen 2.868 N/A CYS 22.A SG THR 21.A O no hydrogen 3.856 N/A THR 25.A N CYS 22.A O no hydrogen 3.045 N/A THR 25.A OG1 CYS 44.A O no hydrogen 2.628 N/A THR 26.A OG1 THR 21.A OG1 no hydrogen 2.835 N/A LEU 27.A N VAL 20.A O no hydrogen 2.894 N/A ASN 28.A N CYS 145.A O no hydrogen 2.967 N/A ASN 28.A ND2 CYS 117.A O no hydrogen 2.836 N/A ASN 28.A ND2 CYS 145.A O no hydrogen 3.282 N/A GLY 29.A N VAL 18.A O no hydrogen 2.932 N/A LEU 30.A N TYR 37.A O no hydrogen 2.629 N/A TRP 31.A N CYS 16.A O no hydrogen 2.911 N/A LEU 32.A N THR 35.A O no hydrogen 2.844 N/A ASP 33.A N THR 98.A OG1 no hydrogen 2.856 N/A THR 35.A N LEU 32.A O no hydrogen 3.003 N/A VAL 36.A N LEU 89.A O no hydrogen 2.801 N/A TYR 37.A N LEU 30.A O no hydrogen 2.666 N/A CYS 38.A N LEU 87.A O no hydrogen 3.239 N/A CYS 38.A SG PRO 39.A O no hydrogen 3.818 N/A ARG 40.A N CYS 85.A O no hydrogen 2.804 N/A ARG 40.A NE ASP 187.A OD2 no hydrogen 2.658 N/A ARG 40.A NH2 ASP 187.A OD1 no hydrogen 2.502 N/A ARG 40.A NH2 ASP 187.A OD2 no hydrogen 3.416 N/A VAL 42.A N PRO 39.A O no hydrogen 3.210 N/A ILE 43.A N ARG 40.A O no hydrogen 3.325 N/A CYS 44.A N HIS 41.A O no hydrogen 3.172 N/A THR 45.A N ASP 48.A OD2 no hydrogen 3.384 N/A ASP 48.A N THR 45.A O no hydrogen 3.413 N/A MET 49.A N ALA 46.A O no hydrogen 3.133 N/A TYR 54.A OH ASP 187.A O no hydrogen 2.552 N/A ASP 56.A N ASN 53.A O no hydrogen 3.091 N/A LEU 57.A N ASN 53.A O no hydrogen 2.911 N/A LEU 58.A N TYR 54.A O no hydrogen 2.991 N/A ARG 60.A N LEU 57.A O no hydrogen 3.151 N/A ARG 60.A NH2 ASP 56.A OD2 no hydrogen 2.629 N/A LYS 61.A N LEU 58.A O no hydrogen 2.796 N/A SER 62.A N SER 65.A OG no hydrogen 2.970 N/A SER 62.A OG SER 65.A OG no hydrogen 3.167 N/A SER 65.A N SER 62.A O no hydrogen 2.694 N/A SER 65.A OG SER 62.A O no hydrogen 2.553 N/A SER 65.A OG SER 62.A OG no hydrogen 3.167 N/A PHE 66.A N ASN 63.A O no hydrogen 3.081 N/A LEU 67.A N THR 21.A O no hydrogen 2.859 N/A GLN 69.A N GLN 19.A O no hydrogen 2.800 N/A ALA 70.A N VAL 73.A O no hydrogen 3.035 N/A VAL 73.A N ALA 70.A O no hydrogen 2.969 N/A LEU 75.A N VAL 68.A O no hydrogen 2.944 N/A ILE 78.A N LYS 90.A O no hydrogen 2.578 N/A SER 81.A N ARG 88.A O no hydrogen 3.081 N/A GLN 83.A N LEU 86.A O no hydrogen 2.796 N/A ASN 84.A ND2 GLU 178.A O no hydrogen 2.841 N/A CYS 85.A N GLY 179.A O no hydrogen 3.136 N/A CYS 85.A SG ASP 187.A OD1 no hydrogen 3.346 N/A LEU 86.A N GLN 83.A O no hydrogen 2.978 N/A LEU 87.A N CYS 38.A O no hydrogen 2.813 N/A ARG 88.A N SER 81.A O no hydrogen 2.825 N/A ARG 88.A NH1 SER 81.A OG no hydrogen 3.282 N/A LEU 89.A N VAL 36.A O no hydrogen 2.894 N/A LYS 90.A N GLY 79.A O no hydrogen 2.590 N/A LYS 90.A NZ ASP 34.A OD1 no hydrogen 2.721 N/A LYS 90.A NZ ASP 34.A OD2 no hydrogen 3.171 N/A VAL 91.A N ASP 34.A O no hydrogen 3.144 N/A ASP 92.A N ARG 76.A O no hydrogen 3.049 N/A THR 93.A OG1 ASP 92.A OD1 no hydrogen 2.800 N/A ASN 95.A N ASP 33.A O no hydrogen 2.820 N/A ASN 95.A ND2 GLY 15.A O no hydrogen 3.410 N/A ASN 95.A ND2 TRP 31.A O no hydrogen 2.750 N/A LYS 97.A N ASN 95.A OD1 no hydrogen 3.316 N/A THR 98.A N ASN 95.A O no hydrogen 2.957 N/A THR 98.A OG1 ASN 95.A O no hydrogen 2.551 N/A LYS 102.A N VAL 157.A O no hydrogen 3.026 N/A VAL 104.A N PHE 159.A O no hydrogen 3.057 N/A ARG 105.A NH1 ASP 176.A OD2 no hydrogen 3.210 N/A ARG 105.A NH1 LYS 180.A O no hydrogen 3.076 N/A ARG 105.A NH1 PHE 181.A O no hydrogen 3.054 N/A ARG 105.A NH2 PHE 181.A O no hydrogen 2.488 N/A ILE 106.A N TYR 182.A OH no hydrogen 2.692 N/A GLN 107.A N GLN 110.A OE1 no hydrogen 2.856 N/A GLY 109.A N MET 130.A O no hydrogen 2.570 N/A GLN 110.A N GLN 107.A O no hydrogen 3.156 N/A THR 111.A OG1 ASP 295.A OD1 no hydrogen 3.313 N/A THR 111.A OG1 ASP 295.A OD2 no hydrogen 2.597 N/A PHE 112.A N CYS 128.A O no hydrogen 3.093 N/A SER 113.A N PHE 150.A O no hydrogen 2.928 N/A SER 113.A OG GLN 127.A OE1 no hydrogen 2.514 N/A VAL 114.A N TYR 126.A O no hydrogen 2.816 N/A LEU 115.A N VAL 148.A O no hydrogen 3.212 N/A ALA 116.A N GLY 124.A O no hydrogen 2.842 N/A CYS 117.A N SER 147.A OG no hydrogen 2.888 N/A CYS 117.A SG LEU 115.A O no hydrogen 3.606 N/A TYR 118.A N SER 121.A O no hydrogen 2.927 N/A GLY 120.A N ASN 28.A OD1 no hydrogen 2.857 N/A SER 121.A N TYR 118.A O no hydrogen 2.875 N/A SER 121.A OG TYR 118.A O no hydrogen 3.470 N/A SER 123.A N ALA 116.A O no hydrogen 2.836 N/A TYR 126.A N VAL 114.A O no hydrogen 2.987 N/A TYR 126.A OH SER 139.A O no hydrogen 3.378 N/A CYS 128.A N PHE 112.A O no hydrogen 3.112 N/A MET 130.A N GLN 110.A O no hydrogen 2.899 N/A ARG 131.A N THR 135.A O no hydrogen 2.819 N/A ARG 131.A NE ASP 197.A OD2 no hydrogen 3.538 N/A ARG 131.A NH1 ASP 289.A OD1 no hydrogen 3.470 N/A ARG 131.A NH1 ASP 289.A OD2 no hydrogen 3.047 N/A ARG 131.A NH1 GLU 290.A OE2 no hydrogen 2.820 N/A ARG 131.A NH2 THR 198.A O no hydrogen 3.056 N/A ARG 131.A NH2 ASP 289.A OD1 no hydrogen 2.826 N/A ASN 133.A ND2 GLY 195.A O no hydrogen 2.773 N/A HIS 134.A N ARG 131.A O no hydrogen 2.819 N/A THR 135.A N ASN 133.A OD1 no hydrogen 3.090 N/A THR 135.A OG1 ASN 133.A OD1 no hydrogen 2.645 N/A ILE 136.A N HIS 172.A O no hydrogen 2.917 N/A GLY 138.A N ILE 136.A O no hydrogen 2.865 N/A GLY 138.A N HIS 172.A ND1 no hydrogen 3.008 N/A SER 139.A N TYR 126.A OH no hydrogen 2.860 N/A LEU 141.A N TYR 118.A OH no hydrogen 2.864 N/A SER 144.A N LEU 141.A O no hydrogen 3.322 N/A SER 144.A OG LEU 141.A O no hydrogen 2.735 N/A CYS 145.A SG HIS 164.A O no hydrogen 3.175 N/A GLY 146.A N HIS 163.A O no hydrogen 2.844 N/A SER 147.A N SER 144.A O no hydrogen 2.827 N/A SER 147.A OG SER 144.A O no hydrogen 2.668 N/A GLY 149.A N TYR 161.A O no hydrogen 2.735 N/A PHE 150.A N SER 113.A O no hydrogen 2.930 N/A ASN 151.A N SER 158.A O no hydrogen 3.001 N/A ASN 151.A ND2 THR 111.A O no hydrogen 3.246 N/A ASP 153.A N CYS 156.A O no hydrogen 2.798 N/A CYS 156.A N ASP 153.A O no hydrogen 2.671 N/A CYS 156.A SG VAL 157.A O no hydrogen 3.919 N/A VAL 157.A N LYS 100.A O no hydrogen 3.086 N/A SER 158.A N ASN 151.A O no hydrogen 2.674 N/A SER 158.A OG ASP 153.A OD1 no hydrogen 3.188 N/A PHE 159.A N LYS 102.A O no hydrogen 2.899 N/A CYS 160.A N GLY 149.A O no hydrogen 2.941 N/A CYS 160.A SG GLY 149.A O no hydrogen 3.858 N/A TYR 161.A N GLY 149.A O no hydrogen 3.221 N/A TYR 161.A OH HIS 163.A ND1 no hydrogen 3.021 N/A MET 162.A N THR 175.A O no hydrogen 2.920 N/A HIS 163.A N SER 147.A O no hydrogen 2.803 N/A HIS 163.A ND1 TYR 161.A OH no hydrogen 3.021 N/A HIS 164.A N ALA 173.A O no hydrogen 3.304 N/A HIS 164.A NE2 THR 175.A OG1 no hydrogen 3.062 N/A MET 165.A N ALA 173.A O no hydrogen 3.081 N/A LEU 167.A N VAL 171.A O no hydrogen 2.724 N/A GLY 170.A N LEU 167.A O no hydrogen 2.727 N/A HIS 172.A N ILE 136.A O no hydrogen 2.920 N/A HIS 172.A NE2 GLU 166.A OE1 no hydrogen 3.077 N/A ALA 173.A N MET 165.A O no hydrogen 2.867 N/A THR 175.A N MET 162.A O no hydrogen 3.079 N/A THR 175.A OG1 HIS 164.A NE2 no hydrogen 3.062 N/A THR 175.A OG1 ASP 176.A O no hydrogen 2.937 N/A ASP 176.A N LYS 180.A O no hydrogen 2.859 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 2.828 N/A GLY 179.A N ASP 176.A O no hydrogen 3.362 N/A LYS 180.A N ASP 176.A OD1 no hydrogen 2.988 N/A TYR 182.A N GLY 174.A O no hydrogen 3.044 N/A TYR 182.A OH CYS 160.A O no hydrogen 2.762 N/A ARG 188.A N VAL 186.A O no hydrogen 2.869 N/A GLN 189.A N MET 49.A O no hydrogen 2.579 N/A THR 190.A N ARG 188.A O no hydrogen 2.741 N/A THR 199.A N ASN 238.A O no hydrogen 3.048 N/A ILE 200.A N ASP 289.A OD1 no hydrogen 2.933 N/A THR 201.A OG1 THR 199.A O no hydrogen 3.382 N/A THR 201.A OG1 GLU 240.A O no hydrogen 2.548 N/A ASN 203.A ND2 GLY 109.A O no hydrogen 2.937 N/A ASN 203.A ND2 ASP 289.A O no hydrogen 2.765 N/A VAL 204.A N ILE 200.A O no hydrogen 3.148 N/A LEU 205.A N THR 201.A O no hydrogen 3.048 N/A ALA 206.A N LEU 202.A O no hydrogen 3.035 N/A TRP 207.A N ASN 203.A O no hydrogen 2.727 N/A LEU 208.A N VAL 204.A O no hydrogen 2.923 N/A TYR 209.A N LEU 205.A O no hydrogen 2.970 N/A TYR 209.A OH ILE 259.A O no hydrogen 2.931 N/A ALA 210.A N ALA 206.A O no hydrogen 2.918 N/A ALA 211.A N TRP 207.A O no hydrogen 3.141 N/A VAL 212.A N LEU 208.A O no hydrogen 3.153 N/A ILE 213.A N TYR 209.A O no hydrogen 2.864 N/A ASN 214.A N ALA 210.A O no hydrogen 2.988 N/A ASN 214.A ND2 ALA 210.A O no hydrogen 3.224 N/A GLY 215.A N VAL 212.A O no hydrogen 2.799 N/A ASP 216.A N ALA 211.A O no hydrogen 2.809 N/A TRP 218.A NE1 THR 280.A O no hydrogen 2.829 N/A LEU 220.A N ARG 217.A O no hydrogen 3.349 N/A PHE 223.A N ASN 221.A OD1 no hydrogen 2.978 N/A THR 224.A OG1 THR 225.A O no hydrogen 3.418 N/A THR 224.A OG1 ASP 263.A OD1 no hydrogen 2.907 N/A THR 225.A N THR 224.A OG1 no hydrogen 2.684 N/A THR 225.A OG1 THR 226.A O no hydrogen 3.074 N/A THR 226.A OG1 ASP 229.A OD2 no hydrogen 2.540 N/A ASP 229.A N THR 226.A OG1 no hydrogen 2.885 N/A PHE 230.A N THR 226.A O no hydrogen 2.839 N/A ASN 231.A N LEU 227.A O no hydrogen 2.650 N/A ASN 231.A ND2 LEU 242.A O no hydrogen 3.192 N/A LEU 232.A N ASN 228.A O no hydrogen 2.940 N/A VAL 233.A N PHE 230.A O no hydrogen 3.181 N/A ALA 234.A N PHE 230.A O no hydrogen 2.874 N/A MET 235.A N ASN 231.A O no hydrogen 3.104 N/A LYS 236.A N VAL 233.A O no hydrogen 2.763 N/A TYR 237.A N ALA 234.A O no hydrogen 2.821 N/A ASN 238.A N MET 235.A O no hydrogen 3.486 N/A ASN 238.A ND2 ASP 197.A O no hydrogen 2.875 N/A TYR 239.A N ALA 234.A O no hydrogen 2.961 N/A GLU 240.A N THR 199.A O no hydrogen 2.994 N/A LEU 242.A N ASN 231.A OD1 no hydrogen 2.890 N/A THR 243.A N HIS 246.A ND1 no hydrogen 2.704 N/A HIS 246.A N THR 243.A OG1 no hydrogen 3.116 N/A VAL 247.A N THR 243.A O no hydrogen 2.999 N/A ASP 248.A N GLN 244.A O no hydrogen 3.096 N/A ILE 249.A N ASP 245.A O no hydrogen 3.288 N/A ILE 249.A N HIS 246.A O no hydrogen 2.804 N/A LEU 250.A N HIS 246.A O no hydrogen 3.319 N/A LEU 250.A N VAL 247.A O no hydrogen 3.259 N/A GLY 251.A N ASP 248.A O no hydrogen 3.050 N/A SER 254.A N LEU 250.A O no hydrogen 2.799 N/A ALA 255.A N GLY 251.A O no hydrogen 2.897 N/A GLN 256.A N PRO 252.A O no hydrogen 2.900 N/A THR 257.A N LEU 253.A O no hydrogen 3.281 N/A THR 257.A OG1 LEU 253.A O no hydrogen 3.452 N/A GLY 258.A N ALA 255.A O no hydrogen 3.244 N/A ILE 259.A N THR 257.A OG1 no hydrogen 3.178 N/A MET 264.A N ALA 260.A O no hydrogen 3.030 N/A CYS 265.A N VAL 261.A O no hydrogen 2.933 N/A CYS 265.A SG VAL 261.A O no hydrogen 3.510 N/A ALA 266.A N LEU 262.A O no hydrogen 3.201 N/A LEU 268.A N MET 264.A O no hydrogen 2.932 N/A LYS 269.A N CYS 265.A O no hydrogen 2.632 N/A LYS 269.A NZ THR 225.A OG1 no hydrogen 2.489 N/A GLU 270.A N ALA 266.A O no hydrogen 3.228 N/A LEU 271.A N ALA 267.A O no hydrogen 2.971 N/A LEU 272.A N LEU 268.A O no hydrogen 2.852 N/A GLN 273.A N LYS 269.A O no hydrogen 3.033 N/A ASN 274.A N GLU 270.A O no hydrogen 2.958 N/A ILE 281.A N ALA 284.A O no hydrogen 3.058 N/A LEU 282.A N ASP 216.A OD2 no hydrogen 2.770 N/A ALA 284.A N ILE 281.A O no hydrogen 2.793 N/A THR 292.A N ASP 295.A OD2 no hydrogen 3.129 N/A ASP 295.A N THR 292.A OG1 no hydrogen 3.026 N/A VAL 296.A N THR 292.A O no hydrogen 3.258 N/A VAL 297.A N PRO 293.A O no hydrogen 3.377 N/A ARG 298.A N PHE 294.A O no hydrogen 2.963 N/A ARG 298.A NH2 ASP 295.A OD1 no hydrogen 3.177 N/A GLN 299.A N ASP 295.A O no hydrogen 2.871 N/A GLN 299.A NE2 ARG 4.A O no hydrogen 3.218 N/A CYS 300.A N VAL 296.A O no hydrogen 2.821 N/A SER 301.A N ARG 298.A O no hydrogen 3.247 N/A SER 301.A OG VAL 297.A O no hydrogen 2.958 N/A VAL 303.A N ARG 298.A O no hydrogen 3.292 N/A