Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d94_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N GLU 6.A OE2 no hydrogen 2.803 N/A TRP 7.A N ASP 5.A OD1 no hydrogen 2.919 N/A GLU 8.A N ASP 5.A O no hydrogen 3.195 N/A VAL 9.A N VAL 83.A O no hydrogen 2.807 N/A ARG 11.A NH1 PRO 89.A O no hydrogen 2.953 N/A ARG 11.A NH2 GLN 86.A O no hydrogen 2.726 N/A ARG 11.A NH2 PRO 89.A O no hydrogen 2.902 N/A LYS 13.A N ALA 10.A O no hydrogen 3.031 N/A ILE 14.A N ARG 11.A O no hydrogen 3.011 N/A THR 15.A N VAL 32.A O no hydrogen 3.040 N/A SER 17.A N GLU 30.A O no hydrogen 2.683 N/A SER 17.A OG GLU 30.A O no hydrogen 3.464 N/A LEU 20.A N VAL 28.A O no hydrogen 2.691 N/A GLY 23.A N GLY 26.A O no hydrogen 3.043 N/A SER 24.A N ASP 156.A OD1 no hydrogen 3.026 N/A SER 24.A OG ASP 156.A OD1 no hydrogen 3.135 N/A SER 24.A OG ASP 156.A OD2 no hydrogen 2.660 N/A PHE 25.A N ASP 162.A OD2 no hydrogen 2.992 N/A VAL 28.A N GLY 21.A O no hydrogen 2.973 N/A TYR 29.A N ILE 47.A O no hydrogen 2.780 N/A GLU 30.A N ARG 18.A O no hydrogen 2.804 N/A GLY 31.A N VAL 45.A O no hydrogen 2.978 N/A VAL 32.A N THR 15.A O no hydrogen 2.892 N/A ALA 33.A N THR 43.A O no hydrogen 2.856 N/A LYS 34.A N LYS 13.A O no hydrogen 2.961 N/A GLY 35.A N PRO 41.A O no hydrogen 3.278 N/A THR 43.A N ALA 33.A O no hydrogen 2.879 N/A THR 43.A OG1 GLU 40.A OE1 no hydrogen 2.767 N/A ARG 44.A NE GLU 30.A OE2 no hydrogen 3.164 N/A ARG 44.A NH1 GLU 30.A OE2 no hydrogen 2.736 N/A VAL 45.A N GLY 31.A O no hydrogen 2.810 N/A ALA 46.A N MET 94.A O no hydrogen 2.850 N/A ILE 47.A N TYR 29.A O no hydrogen 2.773 N/A LYS 48.A N VAL 92.A O no hydrogen 2.976 N/A LYS 48.A NZ SER 24.A OG no hydrogen 3.341 N/A THR 49.A N MET 27.A O no hydrogen 2.795 N/A THR 49.A OG1 MET 27.A O no hydrogen 3.494 N/A VAL 50.A N THR 90.A O no hydrogen 2.883 N/A ALA 53.A N ASN 51.A OD1 no hydrogen 3.197 N/A ALA 54.A N ASN 51.A O no hydrogen 3.186 N/A ARG 57.A NE GLU 61.A OE2 no hydrogen 2.994 N/A ARG 57.A NH1 GLU 61.A OE2 no hydrogen 3.216 N/A GLU 58.A N SER 55.A OG no hydrogen 3.253 N/A ARG 59.A N SER 55.A O no hydrogen 3.168 N/A ARG 59.A NE THR 90.A OG1 no hydrogen 3.238 N/A ARG 59.A NH1 GLU 52.A O no hydrogen 3.330 N/A ARG 59.A NH1 ALA 54.A O no hydrogen 3.412 N/A ARG 59.A NH2 ALA 54.A O no hydrogen 3.051 N/A ILE 60.A N MET 56.A O no hydrogen 2.917 N/A GLU 61.A N ARG 57.A O no hydrogen 2.987 N/A PHE 62.A N GLU 58.A O no hydrogen 2.752 N/A LEU 63.A N ARG 59.A O no hydrogen 3.408 N/A ASN 64.A N ILE 60.A O no hydrogen 2.957 N/A GLU 65.A N GLU 61.A O no hydrogen 2.816 N/A ALA 66.A N PHE 62.A O no hydrogen 3.095 N/A SER 67.A N LEU 63.A O no hydrogen 2.975 N/A SER 67.A OG LEU 63.A O no hydrogen 2.533 N/A MET 69.A N ALA 66.A O no hydrogen 2.956 N/A LYS 70.A N SER 67.A O no hydrogen 3.253 N/A LYS 70.A NZ TYR 2.A OH no hydrogen 2.942 N/A LYS 70.A NZ ASP 5.A OD1 no hydrogen 3.532 N/A LYS 70.A NZ ASP 5.A OD2 no hydrogen 2.818 N/A LYS 70.A NZ SER 67.A OG no hydrogen 3.375 N/A GLU 71.A N VAL 68.A O no hydrogen 3.388 N/A PHE 72.A N MET 69.A O no hydrogen 3.121 N/A ASN 73.A N TYR 129.A OH no hydrogen 2.758 N/A HIS 76.A ND1 ASP 125.A OD2 no hydrogen 2.720 N/A VAL 77.A N CYS 74.A O no hydrogen 3.241 N/A VAL 78.A N ILE 154.A O no hydrogen 3.089 N/A ARG 79.A N GLU 95.A OE2 no hydrogen 3.054 N/A ARG 79.A NE ASN 73.A OD1 no hydrogen 3.079 N/A ARG 79.A NH1 ASN 73.A OD1 no hydrogen 2.732 N/A LEU 81.A N ILE 93.A O no hydrogen 2.718 N/A GLY 82.A N ILE 93.A O no hydrogen 3.220 N/A VAL 83.A N TRP 7.A O no hydrogen 2.877 N/A VAL 84.A N LEU 91.A O no hydrogen 2.948 N/A SER 85.A N GLU 8.A OE1 no hydrogen 3.413 N/A SER 85.A N GLU 8.A OE2 no hydrogen 3.007 N/A SER 85.A OG GLU 8.A OE1 no hydrogen 2.533 N/A SER 85.A OG GLN 86.A OE1 no hydrogen 2.800 N/A GLN 88.A NE2 GLU 52.A O no hydrogen 3.257 N/A LEU 91.A N VAL 84.A O no hydrogen 3.105 N/A VAL 92.A N LYS 48.A O no hydrogen 2.934 N/A ILE 93.A N GLY 82.A O no hydrogen 2.774 N/A MET 94.A N ALA 46.A O no hydrogen 2.674 N/A GLU 95.A N ARG 79.A O no hydrogen 2.873 N/A THR 98.A OG1 GLU 148.A OE2 no hydrogen 2.710 N/A ARG 99.A N VAL 146.A O no hydrogen 2.953 N/A ARG 99.A NE GLU 148.A O no hydrogen 2.651 N/A ARG 99.A NH1 GLU 148.A O no hydrogen 2.876 N/A GLY 100.A N MET 97.A O no hydrogen 3.160 N/A LEU 102.A N CYS 145.A O no hydrogen 2.711 N/A LYS 103.A N ALA 142.A O no hydrogen 3.175 N/A SER 104.A N ASP 101.A OD2 no hydrogen 3.116 N/A SER 104.A OG ASP 101.A OD1 no hydrogen 2.744 N/A SER 104.A OG ASP 101.A OD2 no hydrogen 3.401 N/A TYR 105.A N ASP 101.A O no hydrogen 3.125 N/A LEU 106.A N LEU 102.A O no hydrogen 2.788 N/A ARG 107.A N LYS 103.A O no hydrogen 2.901 N/A ARG 107.A NH1 ALA 212.A O no hydrogen 2.809 N/A SER 108.A N SER 104.A O no hydrogen 3.044 N/A SER 108.A N TYR 105.A O no hydrogen 3.173 N/A SER 108.A OG TYR 105.A O no hydrogen 2.708 N/A LEU 109.A N LEU 106.A O no hydrogen 3.095 N/A ARG 110.A N ARG 107.A O no hydrogen 3.127 N/A ARG 110.A NH1 LEU 211.A O no hydrogen 3.274 N/A ARG 110.A NH1 GLU 213.A OE2 no hydrogen 3.483 N/A MET 116.A N SER 112.A O no hydrogen 2.814 N/A ILE 117.A N LEU 113.A O no hydrogen 2.998 N/A GLN 118.A N SER 114.A O no hydrogen 3.148 N/A GLN 118.A NE2 GLU 122.A OE1 no hydrogen 2.902 N/A MET 119.A N LYS 115.A O no hydrogen 3.111 N/A ALA 120.A N MET 116.A O no hydrogen 3.050 N/A GLY 121.A N ILE 117.A O no hydrogen 3.004 N/A GLU 122.A N GLN 118.A O no hydrogen 2.961 N/A ILE 123.A N MET 119.A O no hydrogen 2.910 N/A ALA 124.A N ALA 120.A O no hydrogen 2.911 N/A ASP 125.A N GLY 121.A O no hydrogen 2.917 N/A GLY 126.A N GLU 122.A O no hydrogen 3.065 N/A MET 127.A N ILE 123.A O no hydrogen 2.951 N/A ALA 128.A N ALA 124.A O no hydrogen 2.685 N/A TYR 129.A N ASP 125.A O no hydrogen 2.949 N/A LEU 130.A N GLY 126.A O no hydrogen 3.054 N/A ASN 131.A N MET 127.A O no hydrogen 2.903 N/A ASN 131.A ND2 PHE 135.A O no hydrogen 2.957 N/A ASN 131.A ND2 ASP 197.A OD1 no hydrogen 3.365 N/A ALA 132.A N ALA 128.A O no hydrogen 2.972 N/A ASN 133.A N TYR 129.A O no hydrogen 3.074 N/A ASN 133.A N LEU 130.A O no hydrogen 2.985 N/A ASN 133.A ND2 TYR 129.A O no hydrogen 2.899 N/A LYS 134.A N ASN 131.A O no hydrogen 3.268 N/A PHE 135.A N LEU 130.A O no hydrogen 2.896 N/A HIS 137.A N ASP 197.A OD1 no hydrogen 2.980 N/A HIS 137.A NE2 GLY 155.A O no hydrogen 2.849 N/A ARG 138.A N ASP 197.A OD2 no hydrogen 3.146 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.124 N/A ALA 142.A N GLU 207.A OE1 no hydrogen 2.924 N/A ARG 143.A NH2 ASP 139.A OD1 no hydrogen 3.040 N/A ASN 144.A N ALA 141.A O no hydrogen 2.943 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.821 N/A ASN 144.A ND2 ASP 139.A OD2 no hydrogen 2.948 N/A CYS 145.A N ALA 142.A O no hydrogen 3.120 N/A CYS 145.A SG ALA 141.A O no hydrogen 3.614 N/A ALA 147.A N THR 151.A O no hydrogen 2.919 N/A PHE 150.A N ALA 147.A O no hydrogen 2.956 N/A THR 151.A N ASP 149.A OD2 no hydrogen 3.338 N/A THR 151.A OG1 ASP 149.A OD1 no hydrogen 3.377 N/A THR 151.A OG1 ASP 149.A OD2 no hydrogen 2.760 N/A VAL 152.A N GLU 122.A OE2 no hydrogen 2.966 N/A LYS 153.A NZ HIS 75.A O no hydrogen 3.006 N/A LYS 153.A NZ GLU 95.A OE1 no hydrogen 2.738 N/A ILE 154.A N HIS 76.A O no hydrogen 2.865 N/A GLY 155.A N ASN 144.A O no hydrogen 2.734 N/A GLY 158.A N ASP 156.A OD2 no hydrogen 2.900 N/A ARG 161.A N GLY 158.A O no hydrogen 2.878 N/A ARG 161.A NH1 HIS 137.A O no hydrogen 2.800 N/A ARG 161.A NH1 PHE 157.A O no hydrogen 3.087 N/A ARG 161.A NH2 VAL 136.A O no hydrogen 2.812 N/A ASP 162.A N GLY 158.A O no hydrogen 2.816 N/A TYR 164.A N ASP 162.A OD1 no hydrogen 3.080 N/A ARG 170.A NH1 ILE 163.A O no hydrogen 3.033 N/A VAL 179.A N LEU 177.A O no hydrogen 2.946 N/A ARG 180.A NE ASN 221.A OD1 no hydrogen 3.408 N/A ARG 180.A NH1 PRO 215.A O no hydrogen 2.870 N/A ARG 180.A NH1 TYR 216.A O no hydrogen 2.911 N/A ARG 180.A NH1 LEU 219.A O no hydrogen 3.305 N/A ARG 180.A NH2 LEU 219.A O no hydrogen 2.682 N/A ARG 180.A NH2 ASN 221.A OD1 no hydrogen 3.270 N/A TRP 181.A N PRO 178.A O no hydrogen 2.860 N/A TRP 181.A NE1 GLU 207.A OE1 no hydrogen 2.916 N/A MET 182.A N VAL 179.A O no hydrogen 3.440 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.865 N/A SER 186.A N SER 183.A OG no hydrogen 3.290 N/A SER 186.A OG SER 183.A OG no hydrogen 3.051 N/A SER 186.A OG VAL 191.A O no hydrogen 2.603 N/A LEU 187.A N SER 183.A O no hydrogen 2.980 N/A LYS 188.A N PRO 184.A O no hydrogen 3.160 N/A LYS 188.A NZ TYR 254.A OH no hydrogen 2.822 N/A ASP 189.A N GLU 185.A O no hydrogen 3.101 N/A GLY 190.A N SER 186.A O no hydrogen 2.774 N/A VAL 191.A N ASP 189.A OD1 no hydrogen 3.041 N/A THR 193.A N SER 196.A OG no hydrogen 2.719 N/A TYR 195.A N THR 193.A OG1 no hydrogen 2.991 N/A SER 196.A N THR 193.A OG1 no hydrogen 3.233 N/A SER 196.A OG THR 193.A O no hydrogen 2.788 N/A ASP 197.A N THR 193.A O no hydrogen 2.954 N/A VAL 198.A N THR 194.A O no hydrogen 3.279 N/A TRP 199.A N TYR 195.A O no hydrogen 3.124 N/A SER 200.A N SER 196.A O no hydrogen 3.103 N/A SER 200.A OG TRP 181.A O no hydrogen 2.641 N/A SER 200.A OG SER 196.A O no hydrogen 3.252 N/A PHE 201.A N ASP 197.A O no hydrogen 2.937 N/A GLY 202.A N VAL 198.A O no hydrogen 3.258 N/A VAL 203.A N TRP 199.A O no hydrogen 3.377 N/A VAL 204.A N SER 200.A O no hydrogen 2.856 N/A LEU 205.A N PHE 201.A O no hydrogen 2.934 N/A TRP 206.A N GLY 202.A O no hydrogen 2.973 N/A TRP 206.A NE1 ASP 235.A O no hydrogen 2.688 N/A GLU 207.A N VAL 203.A O no hydrogen 2.811 N/A ILE 208.A N VAL 204.A O no hydrogen 2.730 N/A ALA 209.A N LEU 205.A O no hydrogen 2.765 N/A THR 210.A N TRP 206.A O no hydrogen 2.964 N/A THR 210.A OG1 TRP 206.A O no hydrogen 2.863 N/A THR 210.A OG1 GLU 207.A O no hydrogen 3.439 N/A LEU 211.A N ILE 208.A O no hydrogen 3.335 N/A ALA 212.A N GLU 207.A O no hydrogen 2.674 N/A GLU 213.A N THR 210.A OG1 no hydrogen 3.134 N/A LEU 219.A N TYR 216.A O no hydrogen 3.025 N/A SER 220.A N GLN 223.A OE1 no hydrogen 3.028 N/A GLN 223.A N SER 220.A OG no hydrogen 3.275 N/A VAL 224.A N SER 220.A O no hydrogen 3.056 N/A LEU 225.A N ASN 221.A O no hydrogen 3.242 N/A ARG 226.A N GLU 222.A O no hydrogen 3.400 N/A PHE 227.A N GLN 223.A O no hydrogen 2.958 N/A VAL 228.A N VAL 224.A O no hydrogen 3.030 N/A MET 229.A N LEU 225.A O no hydrogen 3.116 N/A GLU 230.A N ARG 226.A O no hydrogen 3.018 N/A GLY 231.A N VAL 228.A O no hydrogen 3.020 N/A GLY 232.A N PHE 227.A O no hydrogen 2.739 N/A CYS 240.A SG PRO 241.A O no hydrogen 3.738 N/A LEU 244.A N PRO 241.A O no hydrogen 3.207 N/A LEU 245.A N PRO 241.A O no hydrogen 3.226 N/A GLU 246.A N ASP 242.A O no hydrogen 2.792 N/A LEU 247.A N MET 243.A O no hydrogen 3.073 N/A MET 248.A N LEU 244.A O no hydrogen 3.017 N/A ARG 249.A N LEU 245.A O no hydrogen 3.161 N/A MET 250.A N GLU 246.A O no hydrogen 3.104 N/A CYS 251.A N LEU 247.A O no hydrogen 3.000 N/A CYS 251.A SG VAL 198.A O no hydrogen 3.565 N/A CYS 251.A SG LEU 247.A O no hydrogen 3.264 N/A TRP 252.A N MET 248.A O no hydrogen 2.950 N/A TRP 252.A N ARG 249.A O no hydrogen 3.293 N/A GLN 253.A NE2 ARG 249.A O no hydrogen 2.872 N/A TYR 254.A OH MET 229.A O no hydrogen 2.519 N/A LYS 257.A N ASN 255.A OD1 no hydrogen 3.010 N/A MET 258.A N ASN 255.A O no hydrogen 2.880 N/A ARG 259.A N PRO 256.A O no hydrogen 3.376 N/A ARG 259.A NE GLN 253.A O no hydrogen 2.750 N/A ARG 259.A NH1 GLU 185.A OE2 no hydrogen 2.925 N/A ARG 259.A NH1 TYR 195.A O no hydrogen 3.032 N/A ARG 259.A NH2 GLU 185.A OE1 no hydrogen 2.877 N/A ARG 259.A NH2 GLN 253.A O no hydrogen 3.140 N/A SER 261.A N GLU 264.A OE1 no hydrogen 3.122 N/A GLU 264.A N SER 261.A OG no hydrogen 3.186 N/A ILE 265.A N SER 261.A O no hydrogen 3.028 N/A ILE 266.A N PHE 262.A O no hydrogen 3.076 N/A SER 267.A N LEU 263.A O no hydrogen 2.976 N/A SER 267.A OG TYR 283.A OH no hydrogen 3.200 N/A SER 268.A N GLU 264.A O no hydrogen 3.190 N/A SER 268.A OG ILE 265.A O no hydrogen 2.919 N/A ILE 269.A N ILE 266.A O no hydrogen 2.952 N/A LYS 270.A NZ TYR 283.A OH no hydrogen 3.189 N/A GLU 272.A N ILE 269.A O no hydrogen 2.989 N/A MET 273.A N LYS 270.A O no hydrogen 3.309 N/A GLU 274.A N GLN 118.A OE1 no hydrogen 2.826 N/A PHE 277.A N GLU 274.A O no hydrogen 2.954 N/A ARG 278.A N PRO 275.A O no hydrogen 3.329 N/A GLU 279.A N GLY 276.A O no hydrogen 2.852 N/A VAL 280.A N GLY 276.A O no hydrogen 3.418 N/A SER 281.A N PHE 277.A O no hydrogen 2.893 N/A SER 281.A OG PHE 277.A O no hydrogen 2.737 N/A PHE 282.A N ASP 125.A OD2 no hydrogen 2.900 N/A TYR 283.A N ASP 125.A OD1 no hydrogen 2.912 N/A TYR 283.A OH SER 267.A OG no hydrogen 3.200 N/A TYR 284.A N SER 281.A OG no hydrogen 3.369 N/A SER 285.A N PHE 282.A O no hydrogen 2.928 N/A SER 285.A OG PHE 282.A O no hydrogen 2.569 N/A ASN 288.A N SER 285.A OG no hydrogen 3.301 N/A ASN 288.A ND2 TYR 283.A O no hydrogen 2.757 N/A