Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s95_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ILE 73.A O no hydrogen 3.101 N/A ARG 5.A NH1 GLU 36.A OE1 no hydrogen 2.931 N/A ARG 5.A NH2 GLU 36.A OE1 no hydrogen 3.526 N/A ARG 5.A NH2 GLU 36.A OE2 no hydrogen 2.887 N/A PHE 7.A N VAL 75.A O no hydrogen 2.874 N/A ARG 8.A N ASP 11.A OD2 no hydrogen 3.031 N/A ASP 11.A N ARG 8.A O no hydrogen 2.976 N/A LEU 12.A N PRO 9.A O no hydrogen 3.235 N/A ILE 13.A N THR 30.A O no hydrogen 2.797 N/A GLY 15.A N LYS 28.A O no hydrogen 2.675 N/A LEU 18.A N ALA 26.A O no hydrogen 2.703 N/A GLY 19.A N ALA 26.A O no hydrogen 3.342 N/A GLN 25.A N GLU 42.A O no hydrogen 2.840 N/A ALA 26.A N GLY 19.A O no hydrogen 2.897 N/A ILE 27.A N MET 40.A O no hydrogen 2.767 N/A LYS 28.A N GLU 16.A O no hydrogen 2.914 N/A LYS 28.A NZ TYR 88.A OH no hydrogen 3.004 N/A VAL 29.A N MET 38.A O no hydrogen 2.872 N/A THR 30.A N ILE 13.A O no hydrogen 3.002 N/A HIS 31.A N GLU 36.A O no hydrogen 2.905 N/A ARG 32.A N ASP 11.A O no hydrogen 2.785 N/A ARG 32.A NH1.B SER 10.A O no hydrogen 2.833 N/A GLU 33.A N HIS 31.A ND1 no hydrogen 3.089 N/A THR 34.A N HIS 31.A ND1 no hydrogen 3.211 N/A THR 34.A OG1 GLU 36.A OE2 no hydrogen 2.751 N/A GLY 35.A N HIS 31.A O no hydrogen 2.904 N/A GLU 36.A N THR 34.A OG1 no hydrogen 3.164 N/A MET 38.A N VAL 29.A O no hydrogen 2.781 N/A VAL 39.A N THR 86.A O no hydrogen 2.942 N/A MET 40.A N ILE 27.A O no hydrogen 2.804 N/A LYS 41.A N PHE 84.A O no hydrogen 2.804 N/A LYS 41.A NZ GLU 57.A OE2 no hydrogen 3.166 N/A GLU 42.A N GLN 25.A O no hydrogen 2.935 N/A ILE 44.A N PHE 23.A O no hydrogen 3.073 N/A ARG 45.A N PHE 23.A O no hydrogen 2.893 N/A THR 50.A N ASP 47.A O no hydrogen 3.043 N/A GLN 51.A N ASP 47.A O no hydrogen 3.234 N/A ARG 52.A N GLU 48.A O no hydrogen 3.252 N/A THR 53.A N GLU 49.A O no hydrogen 3.353 N/A PHE 54.A N THR 50.A O no hydrogen 3.118 N/A LEU 55.A N GLN 51.A O no hydrogen 2.883 N/A LYS 56.A N ARG 52.A O no hydrogen 2.911 N/A LYS 56.A NZ ALA 155.A O no hydrogen 2.855 N/A GLU 57.A N THR 53.A O no hydrogen 3.168 N/A VAL 58.A N PHE 54.A O no hydrogen 3.114 N/A LYS 59.A N LEU 55.A O no hydrogen 3.010 N/A VAL 60.A N LYS 56.A O no hydrogen 2.949 N/A MET 61.A N GLU 57.A O no hydrogen 2.794 N/A ARG 62.A N VAL 58.A O no hydrogen 2.957 N/A CYS 63.A N VAL 60.A O no hydrogen 3.077 N/A CYS 63.A SG.A LYS 59.A O no hydrogen 3.327 N/A CYS 63.A SG.B LYS 59.A O no hydrogen 3.930 N/A CYS 63.A SG.B VAL 60.A O no hydrogen 3.267 N/A LEU 64.A N MET 61.A O no hydrogen 3.233 N/A GLU 65.A N TYR 123.A OH no hydrogen 2.853 N/A ASN 68.A N HIS 66.A ND1 no hydrogen 2.947 N/A ASN 68.A ND2 VAL 147.A O no hydrogen 2.931 N/A VAL 69.A N HIS 66.A O no hydrogen 3.142 N/A LEU 70.A N VAL 149.A O no hydrogen 2.924 N/A LYS 71.A N GLU 87.A OE2 no hydrogen 2.871 N/A LYS 71.A NZ GLU 65.A OE1.A no hydrogen 2.759 N/A LYS 71.A NZ GLU 65.A OE2.A no hydrogen 3.054 N/A ILE 73.A N ILE 85.A O no hydrogen 2.811 N/A GLY 74.A N ILE 85.A O no hydrogen 3.267 N/A VAL 75.A N ARG 5.A O no hydrogen 3.036 N/A LEU 76.A N ASN 83.A O no hydrogen 3.010 N/A LYS 78.A N ARG 81.A O no hydrogen 2.933 N/A LYS 78.A NZ HIS 14.A NE2 no hydrogen 3.222 N/A LYS 78.A NZ GLU 42.A OE2 no hydrogen 2.736 N/A ARG 81.A N LYS 78.A O no hydrogen 2.879 N/A ASN 83.A N LEU 76.A O no hydrogen 2.749 N/A ASN 83.A ND2 GLU 42.A OE2 no hydrogen 3.123 N/A PHE 84.A N LYS 41.A O no hydrogen 3.133 N/A ILE 85.A N GLY 74.A O no hydrogen 2.849 N/A THR 86.A N VAL 39.A O no hydrogen 2.734 N/A THR 86.A OG1 GLU 87.A O no hydrogen 2.887 N/A GLU 87.A N LYS 71.A O no hydrogen 3.047 N/A GLY 92.A N ILE 89.A O no hydrogen 3.395 N/A LEU 94.A N CYS 139.A O no hydrogen 2.890 N/A ARG 95.A N SER 136.A O no hydrogen 2.893 N/A GLY 96.A N THR 93.A OG1 no hydrogen 3.030 N/A ILE 97.A N THR 93.A O no hydrogen 3.253 N/A ILE 98.A N LEU 94.A O no hydrogen 2.850 N/A LYS 99.A N ARG 95.A O no hydrogen 2.912 N/A SER 100.A N GLY 96.A O no hydrogen 3.243 N/A SER 100.A N ILE 97.A O no hydrogen 2.898 N/A SER 100.A OG ILE 97.A O no hydrogen 2.591 N/A MET 101.A N ILE 98.A O no hydrogen 3.094 N/A GLN 104.A N ASP 102.A OD1 no hydrogen 2.934 N/A TYR 105.A N ASP 102.A O no hydrogen 3.094 N/A ARG 110.A N PRO 106.A O no hydrogen 3.093 N/A ARG 110.A NE TYR 105.A O no hydrogen 3.054 N/A ARG 110.A NH1 ILE 195.A O no hydrogen 3.099 N/A ARG 110.A NH2 TYR 105.A O no hydrogen 2.980 N/A VAL 111.A N TRP 107.A O no hydrogen 2.881 N/A SER 112.A N SER 108.A O no hydrogen 2.948 N/A PHE 113.A N GLN 109.A O no hydrogen 2.943 N/A ALA 114.A N ARG 110.A O no hydrogen 3.206 N/A LYS 115.A N VAL 111.A O no hydrogen 2.808 N/A LYS 115.A NZ GLU 254.A OE2 no hydrogen 2.936 N/A ASP 116.A N SER 112.A O no hydrogen 2.894 N/A ILE 117.A N PHE 113.A O no hydrogen 3.116 N/A ALA 118.A N ALA 114.A O no hydrogen 2.998 N/A SER 119.A N LYS 115.A O no hydrogen 2.842 N/A SER 119.A OG ASN 68.A OD1 no hydrogen 3.347 N/A SER 119.A OG GLU 254.A OE2 no hydrogen 2.660 N/A GLY 120.A N ASP 116.A O no hydrogen 3.082 N/A MET 121.A N ILE 117.A O no hydrogen 2.899 N/A ALA 122.A N ALA 118.A O no hydrogen 2.743 N/A TYR 123.A N SER 119.A O no hydrogen 2.982 N/A LEU 124.A N GLY 120.A O no hydrogen 2.966 N/A HIS 125.A N MET 121.A O no hydrogen 2.948 N/A HIS 125.A NE2 ASP 184.A OD2 no hydrogen 2.822 N/A SER 126.A N ALA 122.A O no hydrogen 2.949 N/A SER 126.A OG TYR 123.A O no hydrogen 2.635 N/A MET 127.A N TYR 123.A O no hydrogen 3.154 N/A MET 127.A N LEU 124.A O no hydrogen 2.978 N/A ASN 128.A N HIS 125.A O no hydrogen 2.973 N/A ILE 129.A N LEU 124.A O no hydrogen 3.127 N/A ILE 130.A N ARG 156.A O no hydrogen 2.874 N/A HIS 131.A N ASP 184.A OD2 no hydrogen 2.871 N/A HIS 131.A NE2 ALA 150.A O no hydrogen 2.932 N/A ARG 132.A N ASP 184.A OD1 no hydrogen 2.810 N/A ARG 132.A NE LEU 154.A O no hydrogen 2.726 N/A ARG 132.A NH1 THR 161.A OG1 no hydrogen 3.094 N/A ARG 132.A NH1 TYR 179.A OH no hydrogen 2.909 N/A ARG 132.A NH2 LEU 154.A O no hydrogen 2.841 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 3.024 N/A SER 136.A OG GLU 194.A OE1 no hydrogen 3.202 N/A SER 136.A OG GLU 194.A OE2 no hydrogen 2.599 N/A HIS 137.A N ASN 135.A OD1 no hydrogen 2.882 N/A ASN 138.A N ASN 135.A O no hydrogen 3.223 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.811 N/A ASN 138.A ND2 ASP 133.A OD2 no hydrogen 3.262 N/A CYS 139.A SG ASN 135.A O no hydrogen 3.478 N/A LEU 140.A N VAL 148.A O no hydrogen 2.849 N/A VAL 141.A N GLY 92.A O no hydrogen 2.784 N/A ARG 142.A N ASN 146.A O no hydrogen 2.845 N/A ARG 142.A NH1 GLU 87.A OE1 no hydrogen 2.835 N/A ARG 142.A NH2 PRO 67.A O no hydrogen 2.912 N/A LYS 145.A N ARG 142.A O no hydrogen 2.929 N/A ASN 146.A N ASN 144.A OD1 no hydrogen 3.019 N/A VAL 147.A N ASP 116.A OD2 no hydrogen 2.979 N/A VAL 148.A N LEU 140.A O no hydrogen 2.833 N/A VAL 149.A N ASN 68.A O no hydrogen 2.862 N/A ALA 150.A N ASN 138.A O no hydrogen 2.866 N/A GLY 153.A N ASP 151.A OD2 no hydrogen 3.389 N/A ALA 155.A N PHE 152.A O no hydrogen 3.151 N/A ARG 156.A N ILE 130.A O no hydrogen 2.889 N/A ARG 156.A NH2 TYR 179.A O no hydrogen 3.406 N/A MET 158.A N ASN 128.A O no hydrogen 2.910 N/A ASN 165.A N ASP 133.A OD1 no hydrogen 3.286 N/A TYR 167.A N ASN 165.A OD1 no hydrogen 3.131 N/A TRP 168.A N ASN 165.A O no hydrogen 3.158 N/A TRP 168.A NE1 GLU 194.A OE1 no hydrogen 2.750 N/A MET 169.A N PRO 166.A O no hydrogen 3.351 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.771 N/A ILE 174.A N ALA 170.A O no hydrogen 2.933 N/A ASN 175.A N PRO 171.A O no hydrogen 2.906 N/A GLY 176.A N MET 173.A O no hydrogen 2.956 N/A ARG 177.A N GLU 172.A O no hydrogen 2.931 N/A TYR 179.A OH THR 161.A O no hydrogen 2.660 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.839 N/A LYS 182.A N ASP 180.A OD1 no hydrogen 2.854 N/A LYS 182.A NZ PRO 244.A O no hydrogen 3.010 N/A LYS 182.A NZ ARG 247.A O no hydrogen 2.771 N/A VAL 183.A N ASP 180.A O no hydrogen 3.138 N/A ASP 184.A N GLU 181.A O no hydrogen 3.034 N/A VAL 185.A N LYS 182.A O no hydrogen 2.933 N/A PHE 186.A N LYS 182.A O no hydrogen 3.259 N/A SER 187.A N VAL 183.A O no hydrogen 3.217 N/A SER 187.A OG TRP 168.A O no hydrogen 2.668 N/A SER 187.A OG VAL 183.A O no hydrogen 3.300 N/A PHE 188.A N ASP 184.A O no hydrogen 2.955 N/A GLY 189.A N VAL 185.A O no hydrogen 2.920 N/A ILE 190.A N PHE 186.A O no hydrogen 3.035 N/A VAL 191.A N SER 187.A O no hydrogen 3.032 N/A LEU 192.A N PHE 188.A O no hydrogen 2.860 N/A CYS 193.A N GLY 189.A O no hydrogen 2.993 N/A CYS 193.A SG GLY 189.A O no hydrogen 3.527 N/A GLU 194.A N ILE 190.A O no hydrogen 3.026 N/A ILE 195.A N VAL 191.A O no hydrogen 2.948 N/A ILE 196.A N LEU 192.A O no hydrogen 2.877 N/A GLY 197.A N CYS 193.A O no hydrogen 2.795 N/A ARG 198.A NH1 MET 101.A O no hydrogen 3.018 N/A ASP 202.A N ASN 200.A OD1 no hydrogen 2.896 N/A ASP 204.A N ASP 202.A OD1 no hydrogen 2.998 N/A TYR 205.A N ASP 202.A O no hydrogen 2.785 N/A LEU 206.A N ASP 202.A O no hydrogen 3.037 N/A ARG 208.A NE PHE 212.A O no hydrogen 3.332 N/A ARG 208.A NE GLY 213.A O no hydrogen 3.165 N/A ARG 208.A NH1 PHE 212.A O no hydrogen 2.927 N/A ARG 208.A NH2 TYR 167.A O no hydrogen 2.957 N/A THR 209.A N GLY 213.A O no hydrogen 2.953 N/A THR 209.A OG1 ASP 211.A OD1 no hydrogen 2.362 N/A PHE 212.A N THR 209.A O no hydrogen 2.897 N/A GLY 213.A N ASP 211.A OD1 no hydrogen 3.230 N/A ASN 215.A N PRO 207.A O no hydrogen 2.970 N/A GLY 218.A N ASN 215.A OD1 no hydrogen 2.994 N/A PHE 219.A N ASN 215.A O no hydrogen 2.952 N/A LEU 220.A N VAL 216.A O no hydrogen 2.933 N/A ASP 221.A N ARG 217.A O no hydrogen 2.809 N/A ARG 222.A N GLY 218.A O no hydrogen 2.989 N/A TYR 223.A N PHE 219.A O no hydrogen 2.844 N/A CYS 224.A N PHE 219.A O no hydrogen 2.895 N/A CYS 224.A SG PRO 225.A O no hydrogen 3.823 N/A CYS 228.A N PRO 225.A O no hydrogen 3.247 N/A SER 231.A N ASP 278.A OD1 no hydrogen 2.875 N/A SER 231.A OG PRO 230.A O no hydrogen 2.611 N/A PHE 232.A N PRO 229.A O no hydrogen 3.204 N/A ILE 235.A N SER 231.A O no hydrogen 2.870 N/A THR 236.A N PHE 232.A O no hydrogen 3.082 N/A THR 236.A OG1 PHE 232.A O no hydrogen 2.909 N/A VAL 237.A N PHE 233.A O no hydrogen 2.803 N/A ARG 238.A N PRO 234.A O no hydrogen 2.964 N/A ARG 238.A NE LYS 246.A O no hydrogen 3.149 N/A CYS 239.A N ILE 235.A O no hydrogen 3.019 N/A CYS 239.A SG ILE 235.A O no hydrogen 3.449 N/A CYS 240.A N THR 236.A O no hydrogen 3.048 N/A CYS 240.A SG THR 236.A O no hydrogen 3.482 N/A ASP 241.A N ARG 238.A O no hydrogen 3.163 N/A ASP 243.A N ASP 241.A OD1 no hydrogen 2.788 N/A GLU 245.A N ASP 243.A OD1 no hydrogen 3.015 N/A LYS 246.A N ASP 243.A O no hydrogen 3.006 N/A LYS 246.A NZ ASP 243.A OD2 no hydrogen 3.024 N/A ARG 247.A N PRO 244.A O no hydrogen 3.063 N/A ARG 247.A NE ASP 241.A O no hydrogen 2.786 N/A ARG 247.A NH1 GLU 172.A OE1 no hydrogen 3.556 N/A ARG 247.A NH1 GLU 172.A OE2 no hydrogen 2.772 N/A ARG 247.A NH1 LYS 182.A O no hydrogen 3.028 N/A ARG 247.A NH2 GLU 172.A OE1 no hydrogen 2.863 N/A ARG 247.A NH2 ASP 241.A O no hydrogen 2.936 N/A LYS 252.A N SER 249.A OG no hydrogen 3.030 N/A LYS 252.A NZ GLN 273.A OE1 no hydrogen 2.728 N/A LEU 253.A N SER 249.A O no hydrogen 2.946 N/A GLU 254.A N PHE 250.A O no hydrogen 2.837 N/A HIS 255.A N VAL 251.A O no hydrogen 3.286 N/A HIS 255.A ND1 VAL 251.A O no hydrogen 2.877 N/A TRP 256.A N LYS 252.A O no hydrogen 2.859 N/A TRP 256.A NE1 GLN 273.A OE1 no hydrogen 3.037 N/A LEU 257.A N LEU 253.A O no hydrogen 2.781 N/A GLU 258.A N GLU 254.A O no hydrogen 3.006 N/A THR 259.A N HIS 255.A O no hydrogen 2.980 N/A THR 259.A OG1 HIS 255.A O no hydrogen 2.871 N/A LEU 260.A N TRP 256.A O no hydrogen 2.943 N/A ARG 261.A N LEU 257.A O no hydrogen 2.821 N/A ARG 261.A NE GLU 258.A OE1 no hydrogen 2.916 N/A ARG 261.A NH2 GLU 258.A OE2 no hydrogen 2.795 N/A MET 262.A N GLU 258.A O no hydrogen 3.013 N/A HIS 263.A N THR 259.A O no hydrogen 2.791 N/A HIS 263.A ND1 LEU 268.A O no hydrogen 2.983 N/A LEU 264.A N LEU 260.A O no hydrogen 3.004 N/A ALA 265.A N ARG 261.A O no hydrogen 2.863 N/A GLY 266.A N MET 262.A O no hydrogen 2.830 N/A LEU 268.A N MET 262.A O no hydrogen 3.203 N/A GLU 275.A N GLY 271.A O no hydrogen 3.138 N/A GLN 276.A N PRO 272.A O no hydrogen 2.944 N/A GLN 276.A NE2 GLU 275.A OE1.B no hydrogen 2.459 N/A LEU 277.A N GLN 273.A O no hydrogen 2.959 N/A ASP 278.A N LEU 274.A O no hydrogen 2.935 N/A ARG 279.A N GLU 275.A O no hydrogen 2.953 N/A ARG 279.A NH2 GLU 275.A OE1.B no hydrogen 3.244 N/A GLY 280.A N GLN 276.A O no hydrogen 2.840 N/A PHE 281.A N LEU 277.A O no hydrogen 3.005 N/A TRP 282.A N ASP 278.A O no hydrogen 3.096 N/A GLU 283.A N ARG 279.A O no hydrogen 2.917 N/A THR 284.A N GLY 280.A O no hydrogen 2.996 N/A THR 284.A OG1 GLY 280.A O no hydrogen 2.878 N/A TYR 285.A N PHE 281.A O no hydrogen 2.763 N/A ARG 286.A N TRP 282.A O no hydrogen 2.894 N/A ARG 287.A N GLU 283.A O no hydrogen 3.105 N/A GLY 288.A N TYR 285.A O no hydrogen 3.071 N/A GLU 289.A N THR 284.A O no hydrogen 3.204 N/A SER 290.A OG GLU 289.A O no hydrogen 2.715 N/A