Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N VAL 74.A O no hydrogen 3.234 N/A GLU 4.A N TYR 26.A OH no hydrogen 2.881 N/A ARG 6.A NH2 GLU 4.A OE1 no hydrogen 2.936 N/A HIS 7.A N GLU 4.A O no hydrogen 3.004 N/A LEU 8.A N GLU 5.A O.A no hydrogen 3.283 N/A LEU 8.A N GLU 5.A O.B no hydrogen 2.959 N/A LYS 9.A N ARG 25.A O no hydrogen 2.917 N/A LYS 9.A NZ ARG 6.A O no hydrogen 3.141 N/A LEU 11.A N MET 23.A O no hydrogen 2.748 N/A GLN 12.A N MET 23.A O no hydrogen 3.116 N/A LEU 14.A N VAL 21.A O no hydrogen 2.754 N/A GLY 15.A N VAL 21.A O no hydrogen 3.208 N/A GLY 17.A N GLY 19.A O no hydrogen 2.890 N/A SER 20.A N LYS 41.A O no hydrogen 3.100 N/A SER 20.A OG GLN 43.A OE1 no hydrogen 3.155 N/A VAL 21.A N GLY 15.A O no hydrogen 2.877 N/A GLU 22.A N VAL 39.A O no hydrogen 2.865 N/A MET 23.A N GLN 12.A O no hydrogen 2.722 N/A CYS 24.A N VAL 37.A O no hydrogen 2.921 N/A ARG 25.A N LYS 9.A O no hydrogen 2.773 N/A ARG 25.A NE THR 33.A O no hydrogen 2.869 N/A TYR 26.A N GLU 35.A O no hydrogen 2.777 N/A ASP 27.A N HIS 7.A O no hydrogen 3.036 N/A GLN 30.A N ASP 27.A O no hydrogen 3.058 N/A ASP 31.A N ASP 27.A OD1 no hydrogen 3.294 N/A ASN 32.A N ASP 27.A OD2 no hydrogen 2.853 N/A THR 33.A N ASP 31.A OD1 no hydrogen 3.208 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.559 N/A THR 33.A OG1 ASP 31.A OD2 no hydrogen 3.351 N/A VAL 37.A N CYS 24.A O no hydrogen 2.854 N/A ALA 38.A N MET 87.A O no hydrogen 2.830 N/A VAL 39.A N GLU 22.A O no hydrogen 2.724 N/A LYS 40.A N LEU 85.A O no hydrogen 2.814 N/A LYS 40.A NZ GLU 56.A OE2 no hydrogen 2.749 N/A LYS 41.A N SER 20.A O no hydrogen 2.918 N/A LYS 41.A NZ GLU 22.A OE2 no hydrogen 2.303 N/A GLN 43.A N PHE 18.A O no hydrogen 3.025 N/A THR 46.A N HIS 44.A O no hydrogen 2.976 N/A HIS 49.A N THR 46.A OG1 no hydrogen 2.967 N/A LEU 50.A N THR 46.A O no hydrogen 2.966 N/A ARG 51.A N GLU 47.A O no hydrogen 3.028 N/A ASP 52.A N GLU 48.A O no hydrogen 2.938 N/A PHE 53.A N HIS 49.A O no hydrogen 2.769 N/A GLU 54.A N LEU 50.A O no hydrogen 2.853 N/A ARG 55.A N ARG 51.A O no hydrogen 3.078 N/A GLU 56.A N ASP 52.A O no hydrogen 2.941 N/A ILE 57.A N PHE 53.A O no hydrogen 2.847 N/A GLU 58.A N GLU 54.A O no hydrogen 3.005 N/A ILE 59.A N ARG 55.A O no hydrogen 2.853 N/A LEU 60.A N GLU 56.A O no hydrogen 2.837 N/A LYS 61.A N ILE 57.A O no hydrogen 2.871 N/A SER 62.A N GLU 58.A O no hydrogen 3.044 N/A SER 62.A N ILE 59.A O no hydrogen 3.007 N/A SER 62.A OG ILE 59.A O no hydrogen 2.599 N/A SER 62.A OG TYR 130.A OH no hydrogen 2.666 N/A LEU 63.A N LEU 60.A O no hydrogen 3.033 N/A GLN 64.A N TYR 124.A OH no hydrogen 2.962 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 2.920 N/A ILE 68.A N HIS 65.A O no hydrogen 3.151 N/A VAL 69.A N ILE 150.A O no hydrogen 3.031 N/A LYS 70.A N GLU 88.A OE2 no hydrogen 2.969 N/A LYS 72.A N ILE 86.A O no hydrogen 2.834 N/A LYS 72.A NZ.B GLU 35.A OE1 no hydrogen 3.225 N/A LYS 72.A NZ.B GLU 35.A OE2 no hydrogen 2.936 N/A GLY 73.A N ILE 86.A O no hydrogen 3.090 N/A VAL 74.A N THR 1.A O no hydrogen 2.984 N/A CYS 75.A N LYS 84.A O no hydrogen 2.831 N/A CYS 75.A SG PHE 3.A O no hydrogen 3.498 N/A ALA 78.A N GLU 5.A OE1.A no hydrogen 2.955 N/A ALA 78.A N GLU 5.A OE1.B no hydrogen 2.902 N/A GLY 79.A N GLU 5.A OE2.A no hydrogen 2.964 N/A ARG 81.A N SER 77.A O no hydrogen 2.911 N/A ARG 81.A N ALA 78.A O no hydrogen 3.322 N/A ARG 81.A NE ALA 78.A O no hydrogen 3.103 N/A ARG 81.A NH2 ALA 78.A O no hydrogen 2.900 N/A LYS 84.A N CYS 75.A O no hydrogen 2.844 N/A LEU 85.A N LYS 40.A O no hydrogen 2.931 N/A ILE 86.A N GLY 73.A O no hydrogen 2.820 N/A MET 87.A N ALA 38.A O no hydrogen 2.787 N/A GLU 88.A N LYS 70.A O no hydrogen 2.917 N/A TYR 92.A N VAL 142.A O no hydrogen 3.039 N/A GLY 93.A N LEU 90.A O no hydrogen 3.489 N/A LEU 95.A N ILE 140.A O no hydrogen 2.745 N/A ARG 96.A N THR 137.A O no hydrogen 3.237 N/A ASP 97.A N SER 94.A OG no hydrogen 3.011 N/A TYR 98.A N SER 94.A O no hydrogen 2.823 N/A LEU 99.A N LEU 95.A O no hydrogen 2.860 N/A GLN 100.A N ARG 96.A O no hydrogen 3.236 N/A LYS 101.A N ASP 97.A O no hydrogen 2.895 N/A HIS 102.A N TYR 98.A O no hydrogen 2.786 N/A LYS 103.A NZ GLN 100.A O no hydrogen 3.273 N/A ARG 105.A N HIS 102.A O no hydrogen 2.868 N/A LYS 110.A N ASP 107.A OD1 no hydrogen 2.851 N/A LYS 110.A NZ ARG 105.A O no hydrogen 2.503 N/A LYS 110.A NZ GLU 145.A OE1 no hydrogen 2.676 N/A LEU 111.A N ASP 107.A O no hydrogen 3.039 N/A LEU 112.A N HIS 108.A O no hydrogen 2.949 N/A GLN 113.A N ILE 109.A O no hydrogen 2.998 N/A GLN 113.A NE2 ASN 146.A OD1 no hydrogen 2.981 N/A TYR 114.A N LYS 110.A O no hydrogen 2.856 N/A TYR 114.A OH GLU 145.A O no hydrogen 2.622 N/A THR 115.A N LEU 111.A O no hydrogen 2.951 N/A THR 115.A OG1 LEU 111.A O no hydrogen 2.797 N/A SER 116.A N LEU 112.A O no hydrogen 2.952 N/A SER 116.A OG ASP 274.A OD1 no hydrogen 2.558 N/A SER 116.A OG ASP 274.A OD2 no hydrogen 3.343 N/A GLN 117.A N GLN 113.A O no hydrogen 3.009 N/A GLN 117.A NE2 ASN 146.A O no hydrogen 2.916 N/A ILE 118.A N TYR 114.A O no hydrogen 2.946 N/A CYS 119.A N THR 115.A O no hydrogen 2.990 N/A CYS 119.A SG THR 115.A O no hydrogen 3.427 N/A LYS 120.A N SER 116.A O no hydrogen 2.951 N/A LYS 120.A NZ SER 116.A OG no hydrogen 3.219 N/A LYS 120.A NZ ASP 274.A OD2 no hydrogen 2.775 N/A GLY 121.A N GLN 117.A O no hydrogen 2.882 N/A MET 122.A N ILE 118.A O no hydrogen 2.989 N/A GLU 123.A N CYS 119.A O no hydrogen 2.803 N/A TYR 124.A N LYS 120.A O no hydrogen 3.083 N/A LEU 125.A N GLY 121.A O no hydrogen 2.975 N/A GLY 126.A N MET 122.A O no hydrogen 3.013 N/A THR 127.A N GLU 123.A O no hydrogen 3.312 N/A THR 127.A N TYR 124.A O no hydrogen 3.012 N/A THR 127.A OG1 TYR 124.A O no hydrogen 2.688 N/A LYS 128.A N LEU 125.A O no hydrogen 3.004 N/A ARG 129.A N GLY 126.A O no hydrogen 2.992 N/A ARG 129.A NH1 GLU 164.A OE2 no hydrogen 3.268 N/A ARG 129.A NH2 PRO 160.A O no hydrogen 3.004 N/A ARG 129.A NH2 GLU 164.A OE2 no hydrogen 3.368 N/A TYR 130.A N LEU 125.A O no hydrogen 3.139 N/A TYR 130.A OH SER 62.A OG no hydrogen 2.666 N/A ILE 131.A N LYS 157.A O no hydrogen 2.776 N/A HIS 132.A N ASP 187.A OD2 no hydrogen 2.742 N/A HIS 132.A NE2 GLY 151.A O no hydrogen 2.932 N/A ARG 133.A N ASP 187.A OD1 no hydrogen 3.001 N/A ARG 133.A NE LEU 155.A O no hydrogen 2.739 N/A ARG 133.A NH2 LEU 155.A O no hydrogen 3.452 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 2.999 N/A THR 137.A N GLU 197.A OE2 no hydrogen 2.970 N/A THR 137.A OG1 GLU 197.A OE1 no hydrogen 2.702 N/A ARG 138.A NH1 ASP 134.A OD1 no hydrogen 2.940 N/A ASN 139.A N ALA 136.A O no hydrogen 2.888 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.855 N/A ASN 139.A ND2 ASP 134.A OD2 no hydrogen 2.937 N/A ILE 140.A N THR 137.A O no hydrogen 3.276 N/A LEU 141.A N LYS 149.A O no hydrogen 2.727 N/A VAL 142.A N GLY 93.A O no hydrogen 2.789 N/A GLU 143.A N ARG 147.A O no hydrogen 2.868 N/A ASN 144.A N ARG 147.A O no hydrogen 3.424 N/A ASN 146.A N ASN 144.A OD1 no hydrogen 2.775 N/A ARG 147.A N ASN 144.A O no hydrogen 3.123 N/A ARG 147.A NE.B ASP 66.A O no hydrogen 3.147 N/A ARG 147.A NH2.B ASP 66.A O no hydrogen 2.938 N/A VAL 148.A N GLN 117.A OE1 no hydrogen 2.890 N/A LYS 149.A N LEU 141.A O no hydrogen 2.821 N/A LYS 149.A NZ GLU 88.A OE1 no hydrogen 3.425 N/A LYS 149.A NZ GLU 88.A OE2 no hydrogen 2.664 N/A ILE 150.A N ASN 67.A O no hydrogen 2.784 N/A GLY 151.A N ASN 139.A O no hydrogen 2.892 N/A GLY 154.A N ASP 152.A OD1 no hydrogen 2.913 N/A THR 156.A N PHE 153.A O no hydrogen 3.155 N/A THR 156.A OG1 HIS 132.A O no hydrogen 3.461 N/A THR 156.A OG1 PHE 153.A O no hydrogen 3.414 N/A LYS 157.A N ILE 131.A O no hydrogen 2.932 N/A LEU 159.A N ARG 129.A O no hydrogen 2.925 N/A LYS 163.A N PRO 160.A O no hydrogen 3.347 N/A LYS 163.A NZ ASP 162.A OD2 no hydrogen 3.336 N/A VAL 166.A N SER 180.A O no hydrogen 3.032 N/A SER 167.A OG TYR 172.A OH no hydrogen 3.430 N/A ILE 169.A N SER 167.A O no hydrogen 2.783 N/A TRP 171.A N PRO 168.A O no hydrogen 2.980 N/A TRP 171.A NE1 GLU 197.A OE2 no hydrogen 2.907 N/A TYR 172.A N ILE 169.A O no hydrogen 3.169 N/A TYR 172.A OH SER 167.A OG no hydrogen 3.430 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.791 N/A SER 176.A N ALA 173.A O no hydrogen 2.930 N/A SER 176.A OG LYS 181.A O no hydrogen 2.826 N/A LEU 177.A N ALA 173.A O no hydrogen 3.074 N/A THR 178.A N PRO 174.A O no hydrogen 2.839 N/A THR 178.A OG1 PRO 174.A O no hydrogen 3.163 N/A GLU 179.A N GLU 175.A O no hydrogen 3.012 N/A SER 180.A N SER 176.A O no hydrogen 3.079 N/A LYS 181.A N GLU 175.A O no hydrogen 3.365 N/A SER 183.A N SER 186.A OG no hydrogen 2.917 N/A SER 186.A N SER 183.A OG no hydrogen 3.002 N/A SER 186.A OG SER 183.A O no hydrogen 3.092 N/A ASP 187.A N SER 183.A O no hydrogen 3.047 N/A VAL 188.A N VAL 184.A O no hydrogen 2.864 N/A TRP 189.A N ALA 185.A O no hydrogen 3.039 N/A SER 190.A N SER 186.A O no hydrogen 3.075 N/A SER 190.A OG TRP 171.A O no hydrogen 2.667 N/A SER 190.A OG SER 186.A O no hydrogen 3.390 N/A PHE 191.A N ASP 187.A O no hydrogen 2.785 N/A GLY 192.A N VAL 188.A O no hydrogen 3.012 N/A VAL 193.A N TRP 189.A O no hydrogen 3.268 N/A VAL 194.A N SER 190.A O no hydrogen 2.870 N/A LEU 195.A N PHE 191.A O no hydrogen 2.821 N/A TYR 196.A N GLY 192.A O no hydrogen 3.048 N/A TYR 196.A OH LYS 205.A O no hydrogen 2.661 N/A GLU 197.A N VAL 193.A O no hydrogen 2.790 N/A LEU 198.A N VAL 194.A O no hydrogen 2.892 N/A PHE 199.A N LEU 195.A O no hydrogen 3.141 N/A THR 200.A N TYR 196.A O no hydrogen 2.952 N/A THR 200.A N GLU 197.A O no hydrogen 3.192 N/A THR 200.A OG1 GLU 197.A O no hydrogen 2.851 N/A TYR 201.A N LEU 198.A O no hydrogen 3.108 N/A TYR 201.A OH ILE 106.A O no hydrogen 3.180 N/A ILE 202.A N THR 200.A OG1 no hydrogen 3.288 N/A GLU 203.A N THR 200.A O no hydrogen 3.080 N/A LYS 205.A N GLU 203.A O no hydrogen 2.711 N/A ALA 209.A N SER 206.A OG no hydrogen 3.176 N/A GLU 210.A N SER 206.A O no hydrogen 2.970 N/A PHE 211.A N PRO 207.A O no hydrogen 2.911 N/A MET 212.A N PRO 208.A O no hydrogen 2.827 N/A ARG 213.A N ALA 209.A O no hydrogen 3.001 N/A ARG 213.A NH1 SER 204.A O no hydrogen 3.063 N/A ARG 213.A NH2 SER 204.A O no hydrogen 3.134 N/A MET 214.A N GLU 210.A O no hydrogen 3.079 N/A ILE 215.A N PHE 211.A O no hydrogen 2.877 N/A GLY 216.A N MET 212.A O no hydrogen 2.746 N/A LYS 219.A N GLY 216.A O no hydrogen 3.043 N/A LYS 219.A NZ ILE 215.A O no hydrogen 2.872 N/A ILE 224.A N GLY 221.A O no hydrogen 3.027 N/A PHE 226.A N GLN 222.A O no hydrogen 2.870 N/A HIS 227.A N MET 223.A O no hydrogen 3.051 N/A LEU 228.A N ILE 224.A O no hydrogen 2.828 N/A ILE 229.A N VAL 225.A O no hydrogen 2.918 N/A GLU 230.A N PHE 226.A O no hydrogen 3.097 N/A LEU 231.A N HIS 227.A O no hydrogen 2.835 N/A LEU 232.A N LEU 228.A O no hydrogen 2.884 N/A LYS 233.A N ILE 229.A O no hydrogen 2.890 N/A ASN 234.A N GLU 230.A O no hydrogen 3.317 N/A ASN 234.A N LEU 231.A O no hydrogen 3.301 N/A ASN 234.A ND2 GLU 230.A O no hydrogen 3.062 N/A ASN 235.A N LEU 232.A O no hydrogen 3.187 N/A GLY 236.A N LEU 231.A O no hydrogen 2.852 N/A ARG 237.A NE TRP 256.A O no hydrogen 3.092 N/A ARG 237.A NH1 LEU 232.A O no hydrogen 2.916 N/A ARG 237.A NH1 GLY 236.A O no hydrogen 2.867 N/A ARG 237.A NH2 TRP 256.A O no hydrogen 2.861 N/A ARG 237.A NH2 ASN 258.A OD1 no hydrogen 2.862 N/A ARG 240.A NH1 CYS 244.A O no hydrogen 2.983 N/A CYS 244.A N PRO 241.A O no hydrogen 3.035 N/A CYS 244.A SG PRO 245.A O no hydrogen 3.533 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.924 N/A TYR 249.A N PRO 245.A O no hydrogen 2.986 N/A TYR 249.A OH LEU 238.A O no hydrogen 2.645 N/A MET 250.A N ASP 246.A O no hydrogen 2.780 N/A ILE 251.A N GLU 247.A O no hydrogen 3.354 N/A MET 252.A N ILE 248.A O no hydrogen 3.165 N/A THR 253.A N TYR 249.A O no hydrogen 2.864 N/A THR 253.A OG1 TYR 249.A O no hydrogen 3.264 N/A GLU 254.A N MET 250.A O no hydrogen 2.930 N/A CYS 255.A N ILE 251.A O no hydrogen 2.990 N/A CYS 255.A SG ILE 251.A O no hydrogen 3.400 N/A TRP 256.A N MET 252.A O no hydrogen 2.956 N/A ASN 257.A ND2 GLN 262.A OE1 no hydrogen 3.062 N/A ASN 258.A ND2 LEU 232.A O no hydrogen 3.170 N/A ASN 259.A N ASN 257.A OD1 no hydrogen 2.913 N/A ASN 259.A ND2.A GLN 262.A OE1 no hydrogen 3.183 N/A GLN 262.A N ASN 259.A O no hydrogen 3.101 N/A ARG 263.A N VAL 260.A O no hydrogen 3.229 N/A ARG 263.A NE ASN 257.A O no hydrogen 2.789 N/A ARG 263.A NH1 GLU 175.A OE2 no hydrogen 2.827 N/A ARG 263.A NH1 ALA 185.A O no hydrogen 3.028 N/A ARG 263.A NH2 GLU 175.A OE1 no hydrogen 2.852 N/A ARG 263.A NH2 GLU 175.A OE2 no hydrogen 3.554 N/A ARG 263.A NH2 ASN 257.A O no hydrogen 2.980 N/A SER 265.A N ASP 268.A OD2 no hydrogen 3.020 N/A ASP 268.A N SER 265.A OG no hydrogen 2.977 N/A LEU 269.A N SER 265.A O no hydrogen 2.910 N/A ALA 270.A N PHE 266.A O no hydrogen 2.873 N/A LEU 271.A N ARG 267.A O no hydrogen 3.099 N/A ARG 272.A N ASP 268.A O no hydrogen 2.964 N/A VAL 273.A N LEU 269.A O no hydrogen 2.857 N/A ASP 274.A N ALA 270.A O no hydrogen 2.868 N/A GLN 275.A N LEU 271.A O no hydrogen 2.809 N/A ILE 276.A N ARG 272.A O no hydrogen 2.942 N/A ARG 277.A N VAL 273.A O no hydrogen 2.952 N/A ARG 277.A NH1 ASP 274.A OD1 no hydrogen 2.908 N/A ASP 278.A N ASP 274.A O no hydrogen 2.964 N/A ASN 279.A N GLN 275.A O no hydrogen 2.861 N/A MET 280.A N ARG 277.A O no hydrogen 3.270 N/A