Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wbl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 2.A N GLU 2.A OE1 no hydrogen 2.835 N/A PHE 4.A N MET 1.A O no hydrogen 3.272 N/A GLN 5.A N ARG 22.A O no hydrogen 3.036 N/A VAL 7.A N LYS 20.A O no hydrogen 2.793 N/A GLU 8.A N LYS 20.A O no hydrogen 3.410 N/A LYS 9.A NZ GLU 12.A OE1 no hydrogen 2.614 N/A LYS 9.A NZ GLU 12.A OE2 no hydrogen 2.994 N/A ILE 10.A N VAL 18.A O no hydrogen 2.721 N/A GLY 13.A N GLY 16.A O no hydrogen 2.912 N/A GLY 16.A N GLY 13.A O no hydrogen 3.474 N/A VAL 18.A N GLY 11.A O no hydrogen 3.042 N/A TYR 19.A N LEU 31.A O no hydrogen 2.887 N/A LYS 20.A N GLU 8.A O no hydrogen 2.763 N/A ALA 21.A N VAL 29.A O no hydrogen 2.991 N/A ARG 22.A N GLN 5.A O no hydrogen 2.954 N/A ASN 23.A N GLU 27.A O no hydrogen 2.735 N/A LYS 24.A N ASN 3.A O no hydrogen 2.903 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.013 N/A THR 25.A OG1 GLU 27.A OE2 no hydrogen 2.601 N/A GLY 26.A N ASN 23.A O no hydrogen 2.818 N/A GLU 27.A N THR 25.A OG1 no hydrogen 3.327 N/A VAL 29.A N ALA 21.A O no hydrogen 2.881 N/A ALA 30.A N PHE 74.A O no hydrogen 2.957 N/A LEU 31.A N TYR 19.A O no hydrogen 2.747 N/A LYS 32.A N LEU 72.A O no hydrogen 2.779 N/A LYS 32.A NZ ASP 139.A OD2 no hydrogen 3.061 N/A LYS 33.A N VAL 17.A O no hydrogen 3.021 N/A ILE 34.A N LEU 70.A O no hydrogen 2.954 N/A ARG 35.A N TYR 15.A O no hydrogen 2.848 N/A ILE 43.A N PRO 39.A O no hydrogen 3.342 N/A ARG 44.A N SER 40.A O no hydrogen 3.130 N/A GLU 45.A N THR 41.A O no hydrogen 3.057 N/A ILE 46.A N ALA 42.A O no hydrogen 3.001 N/A SER 47.A N ILE 43.A O no hydrogen 2.943 N/A SER 47.A OG ILE 43.A O no hydrogen 2.913 N/A LEU 48.A N ARG 44.A O no hydrogen 3.159 N/A LEU 49.A N GLU 45.A O no hydrogen 3.142 N/A LYS 50.A N ILE 46.A O no hydrogen 3.256 N/A GLU 51.A N LEU 48.A O no hydrogen 3.158 N/A LEU 52.A N LEU 49.A O no hydrogen 3.001 N/A ASN 53.A ND2 LYS 50.A O no hydrogen 3.335 N/A ASN 56.A ND2 GLN 104.A OE1 no hydrogen 3.018 N/A ASN 56.A ND2 ILE 135.A O no hydrogen 3.102 N/A ILE 57.A N HIS 54.A O no hydrogen 3.001 N/A VAL 58.A N LEU 137.A O no hydrogen 2.957 N/A LYS 59.A N GLU 75.A OE2 no hydrogen 2.849 N/A LYS 59.A NZ ASN 53.A OD1 no hydrogen 3.427 N/A LEU 61.A N VAL 73.A O no hydrogen 2.746 N/A ASP 62.A N VAL 73.A O no hydrogen 3.266 N/A ILE 64.A N TYR 71.A O no hydrogen 2.773 N/A THR 66.A N LYS 69.A O no hydrogen 3.158 N/A LYS 69.A N THR 66.A O no hydrogen 2.838 N/A TYR 71.A N ILE 64.A O no hydrogen 2.921 N/A LEU 72.A N LYS 32.A O no hydrogen 2.906 N/A VAL 73.A N ASP 62.A O no hydrogen 2.930 N/A PHE 74.A N ALA 30.A O no hydrogen 2.787 N/A GLU 75.A N LYS 59.A O no hydrogen 2.869 N/A LEU 81.A N LEU 127.A O no hydrogen 2.860 N/A LYS 83.A N ASP 80.A OD1 no hydrogen 2.794 N/A LYS 83.A NZ ASP 80.A OD1 no hydrogen 3.381 N/A LYS 83.A NZ ASP 80.A OD2 no hydrogen 2.639 N/A PHE 84.A N ASP 80.A O no hydrogen 3.020 N/A MET 85.A N LEU 81.A O no hydrogen 2.793 N/A ASP 86.A N LYS 82.A O no hydrogen 2.883 N/A ALA 87.A N LYS 83.A O no hydrogen 2.931 N/A SER 88.A N MET 85.A O no hydrogen 3.180 N/A SER 88.A OG PHE 84.A O no hydrogen 2.697 N/A GLY 92.A N SER 88.A O no hydrogen 2.685 N/A LEU 97.A N PRO 94.A O no hydrogen 2.956 N/A ILE 98.A N PRO 94.A O no hydrogen 3.096 N/A LYS 99.A N LEU 95.A O no hydrogen 2.913 N/A LYS 99.A NZ PHE 270.A O no hydrogen 3.350 N/A LYS 99.A NZ ASP 273.A OD1 no hydrogen 3.038 N/A SER 100.A N PRO 96.A O no hydrogen 2.992 N/A SER 100.A OG THR 275.A O no hydrogen 3.257 N/A TYR 101.A N LEU 97.A O no hydrogen 2.919 N/A LEU 102.A N ILE 98.A O no hydrogen 2.875 N/A PHE 103.A N LYS 99.A O no hydrogen 2.971 N/A GLN 104.A N SER 100.A O no hydrogen 2.973 N/A GLN 104.A NE2 SER 100.A O no hydrogen 3.583 N/A GLN 104.A NE2 SER 100.A OG no hydrogen 3.206 N/A GLN 104.A NE2 GLY 133.A O no hydrogen 2.770 N/A LEU 105.A N TYR 101.A O no hydrogen 2.919 N/A LEU 106.A N LEU 102.A O no hydrogen 2.910 N/A GLN 107.A N PHE 103.A O no hydrogen 2.995 N/A GLN 107.A NE2 PHE 103.A O no hydrogen 3.694 N/A GLY 108.A N GLN 104.A O no hydrogen 3.043 N/A LEU 109.A N LEU 105.A O no hydrogen 2.817 N/A ALA 110.A N LEU 106.A O no hydrogen 2.905 N/A PHE 111.A N GLN 107.A O no hydrogen 3.018 N/A CYS 112.A N GLY 108.A O no hydrogen 3.097 N/A CYS 112.A SG GLY 108.A O no hydrogen 3.439 N/A HIS 113.A N LEU 109.A O no hydrogen 2.799 N/A HIS 113.A NE2 ASP 170.A OD2 no hydrogen 3.006 N/A SER 114.A N ALA 110.A O no hydrogen 3.104 N/A SER 114.A OG ALA 110.A O no hydrogen 3.493 N/A SER 114.A OG PHE 111.A O no hydrogen 2.597 N/A HIS 115.A N CYS 112.A O no hydrogen 2.904 N/A HIS 115.A ND1 PHE 111.A O no hydrogen 3.209 N/A ARG 116.A N HIS 113.A O no hydrogen 2.991 N/A VAL 117.A N CYS 112.A O no hydrogen 3.079 N/A HIS 119.A N ASP 170.A OD2 no hydrogen 2.763 N/A HIS 119.A NE2 ALA 138.A O no hydrogen 2.690 N/A ARG 120.A N ASP 170.A OD1 no hydrogen 2.863 N/A ASP 121.A N HIS 119.A ND1 no hydrogen 3.079 N/A LYS 123.A NZ ASP 121.A OD2 no hydrogen 2.863 N/A ASN 126.A N LYS 123.A O no hydrogen 2.898 N/A ASN 126.A ND2 ASP 121.A O no hydrogen 2.893 N/A LEU 127.A N PRO 124.A O no hydrogen 3.106 N/A LEU 128.A N LYS 136.A O no hydrogen 2.834 N/A ILE 129.A N GLN 79.A O no hydrogen 2.876 N/A ASN 130.A N ALA 134.A O no hydrogen 3.297 N/A GLU 132.A N ASN 130.A OD1 no hydrogen 3.013 N/A ALA 134.A N ASN 130.A OD1 no hydrogen 3.070 N/A ILE 135.A N GLN 104.A OE1 no hydrogen 3.144 N/A LYS 136.A N LEU 128.A O no hydrogen 2.711 N/A LYS 136.A NZ GLU 75.A OE1 no hydrogen 2.839 N/A LYS 136.A NZ GLU 75.A OE2 no hydrogen 3.530 N/A LEU 137.A N ASN 56.A O no hydrogen 2.917 N/A ALA 138.A N ASN 126.A O no hydrogen 2.815 N/A ALA 145.A N GLY 141.A O no hydrogen 3.145 N/A PHE 146.A N LEU 142.A O no hydrogen 3.017 N/A GLY 147.A N ALA 143.A O no hydrogen 2.923 N/A TYR 153.A OH GLU 180.A OE2 no hydrogen 2.617 N/A ARG 154.A N LEU 151.A O no hydrogen 2.988 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.768 N/A ILE 158.A N ALA 155.A O no hydrogen 3.240 N/A LEU 159.A N ALA 155.A O no hydrogen 3.377 N/A LEU 160.A N PRO 156.A O no hydrogen 2.834 N/A GLY 161.A N ILE 158.A O no hydrogen 3.056 N/A CYS 162.A N GLU 157.A O no hydrogen 2.856 N/A ALA 168.A N SER 166.A OG no hydrogen 3.014 N/A VAL 169.A N SER 166.A O no hydrogen 3.119 N/A ASP 170.A N THR 167.A O no hydrogen 3.123 N/A TRP 172.A N ALA 168.A O no hydrogen 3.126 N/A SER 173.A N VAL 169.A O no hydrogen 3.222 N/A SER 173.A OG TYR 153.A O no hydrogen 2.718 N/A SER 173.A OG VAL 169.A O no hydrogen 3.202 N/A LEU 174.A N ASP 170.A O no hydrogen 2.985 N/A GLY 175.A N ILE 171.A O no hydrogen 2.877 N/A CYS 176.A N TRP 172.A O no hydrogen 3.018 N/A CYS 176.A SG TRP 172.A O no hydrogen 3.589 N/A ILE 177.A N SER 173.A O no hydrogen 3.013 N/A PHE 178.A N LEU 174.A O no hydrogen 2.893 N/A ALA 179.A N GLY 175.A O no hydrogen 2.972 N/A GLU 180.A N CYS 176.A O no hydrogen 3.198 N/A MET 181.A N ILE 177.A O no hydrogen 2.942 N/A VAL 182.A N PHE 178.A O no hydrogen 3.184 N/A THR 183.A N ALA 179.A O no hydrogen 2.945 N/A THR 183.A OG1 ALA 179.A O no hydrogen 3.093 N/A ARG 184.A N GLU 180.A O no hydrogen 2.839 N/A ARG 184.A NH1 ALA 89.A O no hydrogen 3.293 N/A ARG 185.A N THR 183.A OG1 no hydrogen 3.359 N/A GLY 190.A N PHE 188.A O no hydrogen 2.980 N/A GLY 190.A N GLN 196.A OE1 no hydrogen 2.776 N/A ASP 191.A N ASP 195.A OD2 no hydrogen 3.094 N/A ASP 195.A N SER 192.A OG no hydrogen 3.048 N/A GLN 196.A N SER 192.A O no hydrogen 2.912 N/A GLN 196.A NE2 TRP 152.A O no hydrogen 3.250 N/A GLN 196.A NE2 PHE 188.A O no hydrogen 2.770 N/A LEU 197.A N GLU 193.A O no hydrogen 3.033 N/A PHE 198.A N ILE 194.A O no hydrogen 2.812 N/A ARG 199.A N ASP 195.A O no hydrogen 2.874 N/A ARG 199.A NE ASP 195.A OD2 no hydrogen 3.014 N/A ILE 200.A N GLN 196.A O no hydrogen 3.139 N/A PHE 201.A N LEU 197.A O no hydrogen 2.887 N/A ARG 202.A N PHE 198.A O no hydrogen 2.939 N/A THR 203.A N ARG 199.A O no hydrogen 3.325 N/A THR 203.A N ILE 200.A O no hydrogen 3.169 N/A THR 203.A OG1 ARG 199.A O no hydrogen 3.447 N/A LEU 204.A N ILE 200.A O no hydrogen 2.827 N/A GLY 205.A N PHE 201.A O no hydrogen 2.811 N/A THR 206.A N TRP 228.A O no hydrogen 3.052 N/A THR 206.A OG1 PRO 226.A O no hydrogen 2.712 N/A VAL 211.A N ASP 208.A OD1 no hydrogen 3.275 N/A TRP 212.A N ASP 208.A O no hydrogen 2.905 N/A GLY 214.A N GLU 209.A OE1 no hydrogen 2.864 N/A VAL 215.A N TRP 212.A O no hydrogen 2.913 N/A THR 216.A N GLU 209.A OE2 no hydrogen 3.048 N/A THR 216.A OG1 GLU 209.A OE2 no hydrogen 2.678 N/A SER 217.A N GLY 214.A O no hydrogen 3.147 N/A MET 218.A N VAL 215.A O no hydrogen 3.067 N/A ASP 220.A N LEU 160.A O no hydrogen 2.957 N/A TYR 221.A N MET 218.A O no hydrogen 3.134 N/A PHE 225.A N LYS 222.A O no hydrogen 2.964 N/A TRP 228.A N THR 206.A OG1 no hydrogen 2.916 N/A ARG 230.A NH2 LEU 204.A O no hydrogen 3.094 N/A GLN 231.A N THR 203.A O no hydrogen 2.957 N/A LYS 235.A N ASP 232.A O no hydrogen 2.906 N/A VAL 236.A N PHE 233.A O no hydrogen 2.979 N/A VAL 237.A N PHE 233.A O no hydrogen 2.886 N/A LEU 240.A N VAL 237.A O no hydrogen 2.915 N/A GLY 244.A N ASP 241.A OD2 no hydrogen 2.964 N/A ARG 245.A N ASP 241.A O no hydrogen 2.891 N/A ARG 245.A NH1 LEU 240.A O no hydrogen 2.820 N/A SER 246.A N GLU 242.A O no hydrogen 2.904 N/A LEU 247.A N ASP 243.A O no hydrogen 2.943 N/A LEU 248.A N GLY 244.A O no hydrogen 2.811 N/A SER 249.A N ARG 245.A O no hydrogen 2.877 N/A SER 249.A OG ARG 245.A O no hydrogen 3.553 N/A SER 249.A OG SER 246.A O no hydrogen 2.735 N/A GLN 250.A N SER 246.A O no hydrogen 3.193 N/A MET 251.A N LEU 247.A O no hydrogen 3.057 N/A LEU 252.A N LEU 248.A O no hydrogen 2.983 N/A LEU 252.A N SER 249.A O no hydrogen 3.261 N/A TYR 254.A OH GLY 205.A O no hydrogen 2.608 N/A ASN 257.A N ASP 255.A OD1 no hydrogen 2.950 N/A LYS 258.A N ASP 255.A O no hydrogen 2.991 N/A ARG 259.A N ASP 255.A O no hydrogen 3.109 N/A ARG 259.A NE HIS 253.A O no hydrogen 2.761 N/A ARG 259.A NH1 GLU 157.A OE1 no hydrogen 2.848 N/A ARG 259.A NH1 HIS 253.A O no hydrogen 3.106 N/A ARG 259.A NH1 TYR 254.A O no hydrogen 2.986 N/A ARG 259.A NH2 GLU 157.A OE1 no hydrogen 3.395 N/A ARG 259.A NH2 GLU 157.A OE2 no hydrogen 2.853 N/A ARG 259.A NH2 ALA 168.A O no hydrogen 2.938 N/A ILE 260.A N GLN 250.A O no hydrogen 2.952 N/A ALA 264.A N SER 261.A OG no hydrogen 3.049 N/A ALA 265.A N SER 261.A O no hydrogen 2.943 N/A LEU 266.A N ALA 262.A O no hydrogen 3.074 N/A ALA 267.A N ALA 264.A O no hydrogen 3.022 N/A HIS 268.A N ALA 265.A O no hydrogen 2.944 N/A PHE 271.A N HIS 268.A O no hydrogen 3.084 N/A GLN 272.A N PRO 269.A O no hydrogen 3.035 N/A VAL 274.A N PHE 271.A O no hydrogen 3.118 N/A