Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6fil_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N VAL 71.A O no hydrogen 3.286 N/A PHE 2.A N VAL 71.A O no hydrogen 2.961 N/A ARG 4.A N ASP 76.A OD2 no hydrogen 3.031 N/A ARG 6.A N PRO 3.A O no hydrogen 3.380 N/A LEU 7.A N ARG 4.A O no hydrogen 3.023 N/A ARG 8.A N GLU 25.A O no hydrogen 2.964 N/A ARG 8.A NE GLU 25.A OE1 no hydrogen 3.369 N/A ARG 8.A NH2 GLU 25.A OE1 no hydrogen 3.324 N/A LYS 10.A N LEU 23.A O no hydrogen 2.722 N/A LYS 12.A NZ GLU 15.A OE2 no hydrogen 2.886 N/A LEU 13.A N VAL 21.A O no hydrogen 2.683 N/A GLY 14.A N VAL 21.A O no hydrogen 3.323 N/A GLY 16.A N GLY 19.A O no hydrogen 2.841 N/A GLU 20.A N ILE 37.A O no hydrogen 2.822 N/A VAL 21.A N GLY 14.A O no hydrogen 2.866 N/A HIS 22.A N VAL 35.A O no hydrogen 2.854 N/A HIS 22.A NE2 GLU 20.A OE1 no hydrogen 2.630 N/A LEU 23.A N GLU 11.A O no hydrogen 2.709 N/A CYS 24.A N VAL 33.A O no hydrogen 2.866 N/A GLU 25.A N ARG 8.A O no hydrogen 2.892 N/A VAL 26.A N LEU 31.A O no hydrogen 2.947 N/A VAL 33.A N CYS 24.A O no hydrogen 2.866 N/A ALA 34.A N THR 82.A O no hydrogen 2.862 N/A VAL 35.A N HIS 22.A O no hydrogen 2.867 N/A LYS 36.A N MET 80.A O no hydrogen 2.748 N/A LYS 36.A NZ GLU 53.A OE1 no hydrogen 2.679 N/A LYS 36.A NZ GLU 53.A OE2 no hydrogen 3.569 N/A ILE 37.A N GLU 20.A O no hydrogen 2.852 N/A ARG 39.A NE ASP 41.A OD1 no hydrogen 2.964 N/A ARG 39.A NH1 GLY 16.A O no hydrogen 2.830 N/A ARG 39.A NH2 ASP 41.A OD2 no hydrogen 3.048 N/A ALA 42.A N ARG 39.A O no hydrogen 3.067 N/A ALA 46.A N THR 43.A OG1 no hydrogen 3.305 N/A ARG 47.A N THR 43.A O no hydrogen 3.051 N/A ASN 48.A N LYS 44.A O no hydrogen 3.169 N/A ASP 49.A N ASN 45.A O no hydrogen 3.036 N/A PHE 50.A N ALA 46.A O no hydrogen 2.813 N/A LEU 51.A N ARG 47.A O no hydrogen 2.919 N/A LYS 52.A N ASN 48.A O no hydrogen 3.019 N/A GLU 53.A N ASP 49.A O no hydrogen 3.023 N/A VAL 54.A N PHE 50.A O no hydrogen 3.075 N/A LYS 55.A N LEU 51.A O no hydrogen 3.262 N/A ILE 56.A N LYS 52.A O no hydrogen 2.962 N/A MET 57.A N GLU 53.A O no hydrogen 2.806 N/A SER 58.A N VAL 54.A O no hydrogen 3.007 N/A SER 58.A OG.A LYS 55.A O no hydrogen 2.698 N/A SER 58.A OG.B VAL 54.A O no hydrogen 2.844 N/A ARG 59.A N ILE 56.A O no hydrogen 3.051 N/A ARG 59.A NH2 LEU 135.A O no hydrogen 3.406 N/A LEU 60.A N MET 57.A O no hydrogen 3.124 N/A LYS 61.A N TYR 131.A OH no hydrogen 2.951 N/A ASN 64.A N ASP 62.A OD2 no hydrogen 2.917 N/A ASN 64.A ND2 GLN 124.A OE1 no hydrogen 3.248 N/A ASN 64.A ND2 ILE 155.A O no hydrogen 2.883 N/A ILE 65.A N ASP 62.A O no hydrogen 3.172 N/A ILE 66.A N ILE 157.A O no hydrogen 3.187 N/A ARG 67.A NE.A ASP 83.A OD1 no hydrogen 2.775 N/A ARG 67.A NH2.A ASP 83.A OD2 no hydrogen 2.978 N/A LEU 69.A N ILE 81.A O no hydrogen 2.785 N/A CYS 72.A N CYS 79.A O no hydrogen 3.313 N/A VAL 73.A N PHE 2.A O no hydrogen 3.282 N/A ASP 76.A N VAL 73.A O no hydrogen 2.965 N/A MET 80.A N LYS 36.A O no hydrogen 2.884 N/A ILE 81.A N GLY 70.A O no hydrogen 2.886 N/A THR 82.A N ALA 34.A O no hydrogen 2.765 N/A THR 82.A OG1 ARG 67.A O no hydrogen 2.671 N/A ASN 87.A N VAL 149.A O no hydrogen 2.889 N/A ASN 87.A ND2 GLY 150.A O no hydrogen 2.726 N/A GLY 88.A N MET 85.A O no hydrogen 3.237 N/A LEU 90.A N CYS 147.A O no hydrogen 2.871 N/A ASN 91.A ND2 THR 144.A OG1 no hydrogen 3.078 N/A ASN 91.A ND2 GLU 210.A OE1 no hydrogen 3.541 N/A GLN 92.A N ASP 89.A OD1 no hydrogen 2.890 N/A PHE 93.A N ASP 89.A O no hydrogen 3.157 N/A LEU 94.A N LEU 90.A O no hydrogen 2.892 N/A SER 95.A N ASN 91.A O no hydrogen 3.028 N/A SER 95.A OG ASN 91.A O no hydrogen 2.733 N/A SER 95.A OG CYS 215.A O no hydrogen 3.438 N/A ALA 96.A N PHE 93.A O no hydrogen 3.132 N/A HIS 97.A N LEU 94.A O no hydrogen 2.971 N/A HIS 97.A ND1 PHE 93.A O no hydrogen 2.734 N/A GLN 98.A N PRO 111.A O no hydrogen 3.018 N/A GLU 100.A N ILE 113.A O no hydrogen 2.848 N/A LYS 102.A NZ ASP 101.A OD1 no hydrogen 3.283 N/A LYS 102.A NZ ASP 101.A OD2 no hydrogen 3.111 N/A ALA 107.A N ASP 110.A OD2 no hydrogen 3.313 N/A ASP 110.A N ALA 107.A O no hydrogen 3.235 N/A ILE 113.A N GLN 98.A O no hydrogen 3.021 N/A MET 117.A N SER 114.A OG no hydrogen 2.995 N/A LEU 118.A N SER 114.A O no hydrogen 3.014 N/A LEU 119.A N TYR 115.A O no hydrogen 3.064 N/A HIS 120.A N PRO 116.A O no hydrogen 3.034 N/A VAL 121.A N MET 117.A O no hydrogen 2.889 N/A ALA 122.A N LEU 118.A O no hydrogen 2.988 N/A ALA 123.A N LEU 119.A O no hydrogen 2.753 N/A GLN 124.A N HIS 120.A O no hydrogen 3.119 N/A GLN 124.A NE2 HIS 120.A O no hydrogen 3.304 N/A GLN 124.A NE2 PHE 153.A O no hydrogen 2.933 N/A ILE 125.A N VAL 121.A O no hydrogen 3.291 N/A ALA 126.A N ALA 122.A O no hydrogen 2.915 N/A SER 127.A N ALA 123.A O no hydrogen 2.781 N/A GLY 128.A N GLN 124.A O no hydrogen 3.014 N/A MET 129.A N ILE 125.A O no hydrogen 2.901 N/A ARG 130.A N ALA 126.A O no hydrogen 2.872 N/A ARG 130.A NH2 SER 127.A OG no hydrogen 2.917 N/A TYR 131.A N SER 127.A O no hydrogen 3.046 N/A TYR 131.A OH ARG 59.A O no hydrogen 3.198 N/A LEU 132.A N GLY 128.A O no hydrogen 3.041 N/A ALA 133.A N MET 129.A O no hydrogen 2.893 N/A THR 134.A N ARG 130.A O no hydrogen 3.259 N/A THR 134.A N TYR 131.A O no hydrogen 3.042 N/A THR 134.A OG1 TYR 131.A O no hydrogen 2.672 N/A LEU 135.A N LEU 132.A O no hydrogen 2.891 N/A ASN 136.A N ALA 133.A O no hydrogen 3.006 N/A PHE 137.A N LEU 132.A O no hydrogen 3.017 N/A HIS 139.A N ASP 200.A OD2 no hydrogen 2.831 N/A HIS 139.A NE2 ALA 158.A O no hydrogen 2.826 N/A ARG 140.A N ASP 200.A OD1 no hydrogen 3.107 N/A ARG 140.A NE.B HIS 139.A O no hydrogen 3.170 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 2.989 N/A THR 144.A N GLU 210.A OE2 no hydrogen 2.996 N/A THR 144.A OG1 GLU 210.A OE1 no hydrogen 2.686 N/A ARG 145.A NE TYR 171.A OH no hydrogen 2.928 N/A ARG 145.A NH2 ASP 141.A OD1 no hydrogen 2.956 N/A ARG 145.A NH2 TYR 171.A OH no hydrogen 3.493 N/A ASN 146.A N ALA 143.A O no hydrogen 2.883 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.697 N/A CYS 147.A N THR 144.A O no hydrogen 3.065 N/A CYS 147.A SG ALA 143.A O no hydrogen 3.682 N/A LEU 148.A N LYS 156.A O no hydrogen 2.735 N/A VAL 149.A N GLY 88.A O no hydrogen 2.877 N/A GLY 150.A N THR 154.A O no hydrogen 2.809 N/A THR 154.A N GLU 151.A O no hydrogen 3.189 N/A THR 154.A OG1 GLU 151.A O no hydrogen 2.955 N/A ILE 155.A N GLN 124.A OE1 no hydrogen 2.886 N/A LYS 156.A N LEU 148.A O no hydrogen 2.917 N/A LYS 156.A NZ PRO 63.A O no hydrogen 3.271 N/A LYS 156.A NZ ILE 65.A O no hydrogen 2.990 N/A ILE 157.A N ASN 64.A O no hydrogen 2.883 N/A ALA 158.A N ASN 146.A O no hydrogen 2.624 N/A PHE 160.A N ASN 146.A OD1 no hydrogen 2.920 N/A ARG 164.A NH1 ARG 145.A O no hydrogen 3.188 N/A ARG 164.A NH2 ARG 145.A O no hydrogen 2.962 N/A TYR 167.A N ARG 164.A O no hydrogen 3.066 N/A TYR 167.A OH ASP 89.A OD2 no hydrogen 2.667 N/A ALA 168.A N ASN 165.A O no hydrogen 3.115 N/A ASP 170.A N TYR 167.A O no hydrogen 2.779 N/A TYR 171.A N ALA 168.A O no hydrogen 3.264 N/A TYR 171.A OH ASP 141.A OD1 no hydrogen 3.419 N/A TYR 171.A OH ASP 141.A OD2 no hydrogen 2.559 N/A TYR 172.A N LEU 180.A O no hydrogen 2.733 N/A ARG 173.A NH1.A MET 162.A O no hydrogen 2.768 N/A ARG 173.A NH1.B ALA 168.A O no hydrogen 3.446 N/A ARG 173.A NH2.A ALA 168.A O no hydrogen 3.059 N/A ARG 173.A NH2.B ALA 168.A O no hydrogen 3.043 N/A ARG 177.A N VAL 174.A O no hydrogen 3.040 N/A LEU 180.A N TYR 172.A O no hydrogen 3.116 N/A ILE 182.A N LEU 180.A O no hydrogen 2.927 N/A ARG 183.A NH1 PRO 219.A O no hydrogen 2.980 N/A ARG 183.A NH1 PHE 220.A O no hydrogen 2.842 N/A ARG 183.A NH1 LEU 223.A O no hydrogen 3.342 N/A ARG 183.A NH2 LEU 223.A O no hydrogen 2.935 N/A ARG 183.A NH2 ASP 225.A OD1 no hydrogen 2.927 N/A TRP 184.A N PRO 181.A O no hydrogen 2.931 N/A TRP 184.A NE1 GLU 210.A OE2 no hydrogen 2.930 N/A MET 185.A N ILE 182.A O no hydrogen 3.075 N/A TRP 187.A NE1 ARG 265.A O no hydrogen 2.861 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.952 N/A CYS 189.A N ALA 186.A O no hydrogen 2.922 N/A CYS 189.A SG LYS 194.A O no hydrogen 3.453 N/A ILE 190.A N ALA 186.A O no hydrogen 3.206 N/A LEU 191.A N TRP 187.A O no hydrogen 3.010 N/A MET 192.A N GLU 188.A O no hydrogen 2.903 N/A GLY 193.A N CYS 189.A O no hydrogen 2.906 N/A THR 196.A N SER 199.A OG no hydrogen 2.737 N/A SER 199.A N THR 196.A O no hydrogen 3.055 N/A SER 199.A N THR 196.A OG1 no hydrogen 3.124 N/A SER 199.A OG THR 196.A O no hydrogen 2.810 N/A ASP 200.A N THR 196.A O no hydrogen 2.960 N/A VAL 201.A N THR 197.A O no hydrogen 2.930 N/A TRP 202.A N ALA 198.A O no hydrogen 3.231 N/A ALA 203.A N SER 199.A O no hydrogen 3.004 N/A PHE 204.A N ASP 200.A O no hydrogen 2.788 N/A GLY 205.A N VAL 201.A O no hydrogen 2.906 N/A VAL 206.A N TRP 202.A O no hydrogen 3.099 N/A THR 207.A N ALA 203.A O no hydrogen 2.813 N/A THR 207.A OG1 ALA 203.A O no hydrogen 2.845 N/A LEU 208.A N PHE 204.A O no hydrogen 2.722 N/A TRP 209.A N GLY 205.A O no hydrogen 2.978 N/A TRP 209.A NE1 SER 246.A O no hydrogen 2.786 N/A GLU 210.A N VAL 206.A O no hydrogen 2.872 N/A VAL 211.A N THR 207.A O no hydrogen 2.940 N/A LEU 212.A N LEU 208.A O no hydrogen 3.008 N/A MET 213.A N TRP 209.A O no hydrogen 2.900 N/A LEU 214.A N VAL 211.A O no hydrogen 2.966 N/A CYS 215.A N GLU 210.A O no hydrogen 2.901 N/A CYS 215.A SG ASN 91.A O no hydrogen 3.997 N/A CYS 215.A SG THR 144.A OG1 no hydrogen 3.492 N/A CYS 215.A SG GLU 210.A O no hydrogen 3.900 N/A ARG 216.A N MET 213.A O no hydrogen 3.087 N/A ARG 216.A NH1 LEU 94.A O no hydrogen 3.207 N/A ARG 216.A NH1 HIS 97.A O no hydrogen 2.948 N/A ARG 216.A NH1 LEU 214.A O no hydrogen 2.985 N/A ARG 216.A NH2 HIS 97.A O no hydrogen 2.769 N/A GLN 218.A NE2 GLY 169.A O no hydrogen 3.031 N/A GLN 218.A NE2 ASP 170.A OD1 no hydrogen 2.916 N/A LEU 223.A N PHE 220.A O no hydrogen 2.775 N/A THR 224.A N GLN 227.A OE1 no hydrogen 2.942 N/A GLN 227.A N THR 224.A OG1 no hydrogen 3.068 N/A VAL 228.A N THR 224.A O no hydrogen 2.963 N/A ILE 229.A N ASP 225.A O no hydrogen 2.915 N/A GLU 230.A N GLU 226.A O no hydrogen 2.877 N/A ASN 231.A N GLN 227.A O no hydrogen 2.919 N/A ASN 231.A ND2 VAL 243.A O no hydrogen 3.032 N/A ALA 232.A N ILE 229.A O no hydrogen 3.138 N/A GLU 234.A N GLU 230.A O no hydrogen 3.112 N/A GLU 234.A N ASN 231.A O no hydrogen 3.013 N/A PHE 235.A N ASN 231.A O no hydrogen 3.131 N/A PHE 236.A N ALA 232.A O no hydrogen 3.102 N/A ARG 237.A N GLY 233.A O no hydrogen 3.105 N/A ARG 237.A NH2.B GLU 234.A OE1 no hydrogen 2.795 N/A ARG 237.A NH2.B GLN 239.A OE1 no hydrogen 3.530 N/A ASP 238.A N GLU 234.A O no hydrogen 3.140 N/A ARG 241.A NE GLN 239.A OE1 no hydrogen 3.221 N/A ARG 241.A NH2 GLN 239.A OE1 no hydrogen 2.905 N/A GLN 242.A N GLN 242.A OE1 no hydrogen 2.614 N/A GLN 242.A NE2 TYR 244.A OH no hydrogen 3.074 N/A VAL 243.A N ASN 231.A OD1 no hydrogen 2.921 N/A ARG 247.A NH1.A GLN 253.A OE1 no hydrogen 2.541 N/A ARG 247.A NH2.B CYS 251.A O no hydrogen 2.764 N/A CYS 251.A N PRO 248.A O no hydrogen 2.996 N/A CYS 251.A SG PRO 252.A O no hydrogen 3.411 N/A GLN 253.A NE2 GLU 257.A OE2 no hydrogen 3.364 N/A TYR 256.A N PRO 252.A O no hydrogen 3.090 N/A TYR 256.A OH LEU 245.A O no hydrogen 2.660 N/A GLU 257.A N GLN 253.A O no hydrogen 2.921 N/A LEU 258.A N GLY 254.A O no hydrogen 3.388 N/A MET 259.A N LEU 255.A O no hydrogen 2.925 N/A LEU 260.A N TYR 256.A O no hydrogen 2.805 N/A ARG 261.A N GLU 257.A O no hydrogen 3.158 N/A ARG 261.A N LEU 258.A O no hydrogen 2.969 N/A ARG 261.A NH1.B GLN 275.A OE1 no hydrogen 3.137 N/A ARG 261.A NH2.B GLN 275.A OE1 no hydrogen 2.462 N/A CYS 262.A N LEU 258.A O no hydrogen 3.306 N/A CYS 262.A N MET 259.A O no hydrogen 3.022 N/A CYS 262.A SG LEU 258.A O no hydrogen 3.746 N/A TRP 263.A N LEU 260.A O no hydrogen 2.984 N/A SER 264.A N ARG 261.A O no hydrogen 3.195 N/A SER 264.A OG ARG 261.A O no hydrogen 2.739 N/A ARG 265.A NE PHE 235.A O no hydrogen 2.704 N/A ARG 265.A NH1 GLU 266.A OE2 no hydrogen 2.842 N/A ARG 265.A NH2 PHE 236.A O no hydrogen 2.609 N/A SER 267.A OG GLU 188.A OE2 no hydrogen 3.468 N/A GLU 268.A N GLU 268.A OE1 no hydrogen 2.728 N/A GLN 269.A N GLU 266.A O no hydrogen 2.991 N/A ARG 270.A N SER 267.A O no hydrogen 3.297 N/A ARG 270.A NE SER 264.A O no hydrogen 2.905 N/A ARG 270.A NH1 GLU 188.A OE2 no hydrogen 2.937 N/A ARG 270.A NH1 ALA 198.A O no hydrogen 3.030 N/A ARG 270.A NH2 GLU 188.A OE1 no hydrogen 2.789 N/A ARG 270.A NH2 GLU 188.A OE2 no hydrogen 3.524 N/A ARG 270.A NH2 SER 264.A O no hydrogen 3.105 N/A ARG 270.A NH2 ARG 265.A O no hydrogen 3.451 N/A LEU 276.A N PRO 272.A O no hydrogen 3.063 N/A HIS 277.A N PHE 273.A O no hydrogen 2.715 N/A ARG 278.A N SER 274.A O no hydrogen 3.101 N/A PHE 279.A N GLN 275.A O no hydrogen 3.011 N/A LEU 280.A N LEU 276.A O no hydrogen 3.031 N/A ALA 281.A N HIS 277.A O no hydrogen 2.954 N/A GLU 282.A N ARG 278.A O no hydrogen 2.937 N/A ALA 284.A N PHE 279.A O no hydrogen 2.784 N/A LEU 285.A N GLU 282.A O no hydrogen 2.809 N/A ASN 286.A N ASP 283.A O no hydrogen 2.984 N/A