Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ofs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N ASP 119.A OD1 no hydrogen 3.478 N/A TRP 1.A N ASP 119.A OD2 no hydrogen 2.565 N/A ARG 2.A NH1 GLN 126.A OE1 no hydrogen 2.837 N/A TRP 5.A N SER 127.A OG no hydrogen 2.944 N/A SER 6.A N ASP 134.A OD2 no hydrogen 2.980 N/A GLY 7.A N CYS 128.A O no hydrogen 3.032 N/A THR 10.A N ASN 124.A O no hydrogen 3.079 N/A THR 10.A OG1 CYS 115.A O no hydrogen 3.496 N/A THR 10.A OG1 ASN 124.A O no hydrogen 2.659 N/A THR 11.A N THR 113.A O no hydrogen 2.849 N/A THR 11.A OG1 THR 113.A O no hydrogen 3.297 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.961 N/A THR 17.A N ARG 13.A O no hydrogen 2.926 N/A THR 17.A OG1 ARG 13.A O no hydrogen 2.940 N/A VAL 18.A N PHE 14.A O no hydrogen 3.087 N/A LEU 19.A N PRO 15.A O no hydrogen 3.051 N/A ALA 20.A N GLU 16.A O no hydrogen 2.885 N/A ARG 21.A N THR 17.A O no hydrogen 2.976 N/A ARG 21.A NH1 TYR 107.A O no hydrogen 3.546 N/A ARG 21.A NH1 LEU 108.A O no hydrogen 3.076 N/A ARG 21.A NH1 ASP 110.A O no hydrogen 2.896 N/A CYS 22.A N VAL 18.A O no hydrogen 2.880 N/A VAL 23.A N LEU 19.A O no hydrogen 2.943 N/A LYS 24.A N ALA 20.A O no hydrogen 2.949 N/A TYR 25.A N ARG 21.A O no hydrogen 2.857 N/A TYR 25.A OH ASP 102.A O no hydrogen 2.772 N/A THR 26.A N CYS 22.A O no hydrogen 2.937 N/A THR 26.A OG1 CYS 22.A O no hydrogen 2.928 N/A THR 26.A OG1 VAL 23.A O no hydrogen 3.170 N/A GLU 27.A N VAL 23.A O no hydrogen 3.083 N/A ILE 28.A N LYS 24.A O no hydrogen 3.162 N/A HIS 29.A N TYR 25.A O no hydrogen 2.933 N/A MET 32.A N HIS 29.A O no hydrogen 3.186 N/A ARG 33.A N PRO 30.A O no hydrogen 3.201 N/A ARG 33.A NH1 THR 26.A O no hydrogen 2.565 N/A ARG 33.A NH1 GLU 27.A O no hydrogen 2.922 N/A VAL 35.A N MET 32.A O no hydrogen 3.215 N/A GLN 38.A N ASP 36.A OD1 no hydrogen 2.920 N/A VAL 40.A N ASP 36.A O no hydrogen 3.064 N/A TRP 41.A N CYS 37.A O no hydrogen 2.966 N/A ASP 42.A N GLN 38.A O no hydrogen 3.002 N/A ALA 43.A N SER 39.A O no hydrogen 3.078 N/A PHE 44.A N VAL 40.A O no hydrogen 2.962 N/A LYS 45.A N TRP 41.A O no hydrogen 2.908 N/A GLY 46.A N ASP 42.A O no hydrogen 2.986 N/A ALA 47.A N ALA 43.A O no hydrogen 3.239 N/A ALA 47.A N PHE 44.A O no hydrogen 3.120 N/A PHE 48.A N LYS 45.A O no hydrogen 3.071 N/A ILE 49.A N LYS 45.A O no hydrogen 2.910 N/A SER 50.A OG THR 120.A O no hydrogen 2.884 N/A LYS 51.A NZ GLY 46.A O no hydrogen 2.789 N/A LYS 51.A NZ ALA 47.A O no hydrogen 3.338 N/A LYS 51.A NZ ASP 60.A OD1 no hydrogen 2.822 N/A CYS 54.A N HIS 52.A ND1 no hydrogen 3.217 N/A ASP 55.A N HIS 52.A O no hydrogen 3.049 N/A ILE 56.A N ASN 137.A O no hydrogen 3.184 N/A THR 57.A N ASP 60.A OD2 no hydrogen 2.896 N/A ASP 60.A N THR 57.A O no hydrogen 2.976 N/A ASP 60.A N THR 57.A OG1 no hydrogen 3.185 N/A TYR 61.A N GLU 58.A O no hydrogen 2.995 N/A TYR 61.A OH PRO 139.A O no hydrogen 2.533 N/A GLN 62.A N GLU 59.A O no hydrogen 3.101 N/A MET 65.A N TYR 61.A O no hydrogen 2.921 N/A LYS 66.A N GLN 62.A O no hydrogen 2.934 N/A LEU 67.A N PRO 63.A O no hydrogen 3.157 N/A GLY 68.A N LEU 64.A O no hydrogen 2.882 N/A THR 69.A OG1 MET 65.A O no hydrogen 2.933 N/A THR 69.A OG1 LYS 66.A O no hydrogen 3.563 N/A GLN 70.A NE2 TYR 25.A OH no hydrogen 2.644 N/A LYS 76.A N PRO 73.A O no hydrogen 2.981 N/A LYS 76.A NZ ASP 96.A OD2 no hydrogen 2.897 N/A LEU 78.A N PHE 98.A O no hydrogen 2.907 N/A LEU 79.A N HIS 160.A O no hydrogen 2.752 N/A SER 81.A N MET 162.A O no hydrogen 3.029 N/A SER 81.A OG SER 175.A OG no hydrogen 3.356 N/A LYS 84.A NZ ASP 110.A OD1 no hydrogen 2.961 N/A ALA 87.A N ILE 83.A O no hydrogen 3.127 N/A HIS 88.A N LYS 84.A O no hydrogen 2.974 N/A GLN 89.A N ASP 85.A O no hydrogen 3.040 N/A PHE 90.A N LEU 86.A O no hydrogen 2.873 N/A THR 91.A N ALA 87.A O no hydrogen 3.227 N/A THR 91.A N HIS 88.A O no hydrogen 3.112 N/A THR 91.A OG1 HIS 88.A O no hydrogen 2.718 N/A GLN 92.A N HIS 88.A O no hydrogen 3.173 N/A GLN 94.A N PHE 90.A O no hydrogen 2.893 N/A ARG 95.A N VAL 93.A O no hydrogen 2.933 N/A MET 97.A N GLN 94.A O no hydrogen 3.175 N/A PHE 98.A N LYS 76.A O no hydrogen 2.927 N/A THR 99.A N ASP 102.A OD2 no hydrogen 3.018 N/A THR 99.A OG1 ASP 102.A OD2 no hydrogen 3.525 N/A ASP 102.A N THR 99.A O no hydrogen 3.027 N/A THR 103.A N LEU 100.A O no hydrogen 3.027 N/A THR 103.A OG1 LEU 100.A O no hydrogen 2.718 N/A LEU 104.A N GLN 70.A OE1 no hydrogen 2.974 N/A GLY 106.A N THR 103.A OG1 no hydrogen 3.145 N/A TYR 107.A N THR 103.A O no hydrogen 2.801 N/A LEU 108.A N LEU 104.A O no hydrogen 2.803 N/A ALA 109.A N LEU 105.A O no hydrogen 3.160 N/A LEU 112.A N ALA 109.A O no hydrogen 3.255 N/A THR 113.A N THR 11.A OG1 no hydrogen 2.784 N/A TRP 114.A NE1 TYR 61.A OH no hydrogen 3.029 N/A CYS 115.A N THR 10.A OG1 no hydrogen 3.067 N/A CYS 115.A SG SER 127.A O no hydrogen 3.239 N/A ASN 124.A N CYS 115.A O no hydrogen 3.088 N/A GLN 126.A N ASN 124.A OD1 no hydrogen 2.802 N/A SER 127.A N ASN 124.A OD1 no hydrogen 3.133 N/A CYS 128.A N GLY 7.A O no hydrogen 3.165 N/A CYS 128.A SG ASN 124.A O no hydrogen 3.913 N/A ASP 130.A N ASP 134.A OD2 no hydrogen 2.844 N/A LYS 133.A N ASP 130.A OD2 no hydrogen 2.784 N/A ASP 134.A N ASP 130.A O no hydrogen 2.936 N/A CYS 135.A N ASP 130.A O no hydrogen 3.195 N/A CYS 135.A SG PRO 53.A O no hydrogen 3.878 N/A ASN 138.A ND2 CYS 135.A O no hydrogen 3.024 N/A ASN 138.A ND2 SER 141.A OG no hydrogen 3.002 N/A SER 141.A N ASN 138.A OD1 no hydrogen 3.062 N/A SER 141.A OG ASN 138.A OD1 no hydrogen 3.184 N/A VAL 142.A N ASN 138.A O no hydrogen 3.056 N/A PHE 143.A N PRO 139.A O no hydrogen 3.262 N/A TRP 144.A N VAL 140.A O no hydrogen 3.131 N/A LYS 145.A N SER 141.A O no hydrogen 2.961 N/A THR 146.A N VAL 142.A O no hydrogen 2.881 N/A THR 146.A OG1 VAL 142.A O no hydrogen 2.624 N/A VAL 147.A N PHE 143.A O no hydrogen 2.982 N/A SER 148.A N TRP 144.A O no hydrogen 2.984 N/A SER 148.A OG TRP 144.A O no hydrogen 2.546 N/A SER 148.A OG GLU 181.A OE2 no hydrogen 3.160 N/A ARG 149.A N LYS 145.A O no hydrogen 3.077 N/A ARG 149.A NE GLU 58.A OE1 no hydrogen 3.038 N/A ARG 149.A NH2 GLU 58.A OE2 no hydrogen 2.954 N/A ARG 150.A N THR 146.A O no hydrogen 3.266 N/A PHE 151.A N VAL 147.A O no hydrogen 2.785 N/A ALA 152.A N SER 148.A O no hydrogen 2.945 N/A GLU 153.A N ARG 149.A O no hydrogen 2.959 N/A ALA 154.A N ARG 150.A O no hydrogen 3.087 N/A ALA 154.A N PHE 151.A O no hydrogen 3.070 N/A ALA 155.A N ALA 152.A O no hydrogen 3.290 N/A CYS 156.A N CYS 74.A O no hydrogen 2.916 N/A ASP 157.A N LYS 189.A O no hydrogen 2.969 N/A VAL 159.A N THR 192.A O no hydrogen 2.920 N/A HIS 160.A N ILE 77.A O no hydrogen 3.349 N/A VAL 161.A N GLU 194.A O no hydrogen 2.981 N/A MET 162.A N LEU 79.A O no hydrogen 2.936 N/A LEU 163.A N TRP 196.A O no hydrogen 2.917 N/A GLY 165.A N ILE 198.A O no hydrogen 2.759 N/A SER 166.A N ASP 164.A OD1 no hydrogen 2.843 N/A SER 166.A OG ASP 164.A OD1 no hydrogen 2.714 N/A SER 166.A OG ASP 164.A OD2 no hydrogen 3.106 N/A ARG 167.A N ASP 164.A O no hydrogen 3.320 N/A ARG 167.A NE ASP 164.A OD2 no hydrogen 3.314 N/A PHE 171.A N THR 211.A OG1 no hydrogen 3.033 N/A ASP 174.A N ASP 172.A OD1 no hydrogen 3.004 N/A SER 175.A N ASP 172.A O no hydrogen 2.999 N/A SER 175.A OG SER 81.A OG no hydrogen 3.356 N/A SER 175.A OG ASP 172.A O no hydrogen 2.863 N/A GLY 178.A N SER 175.A OG no hydrogen 3.264 N/A SER 179.A N SER 175.A O no hydrogen 2.727 N/A SER 179.A OG SER 175.A O no hydrogen 2.827 N/A GLU 181.A N THR 176.A O no hydrogen 3.152 N/A VAL 182.A N PHE 177.A O no hydrogen 2.875 N/A HIS 183.A N SER 179.A O no hydrogen 3.430 N/A HIS 183.A ND1 SER 179.A O no hydrogen 2.612 N/A ASN 184.A N GLU 181.A O no hydrogen 2.940 N/A ASN 184.A ND2 VAL 180.A O no hydrogen 2.691 N/A GLN 186.A NE2 GLU 153.A O no hydrogen 2.991 N/A LYS 189.A NZ GLU 153.A O no hydrogen 2.742 N/A VAL 190.A N GLN 186.A O no hydrogen 2.953 N/A GLN 191.A N ASP 157.A O no hydrogen 2.775 N/A GLN 191.A NE2 GLU 188.A O no hydrogen 3.518 N/A THR 192.A N ASP 157.A O no hydrogen 3.106 N/A LEU 193.A N GLN 225.A O no hydrogen 2.805 N/A GLU 194.A N VAL 159.A O no hydrogen 2.805 N/A ALA 195.A N SER 227.A O no hydrogen 2.745 N/A TRP 196.A N VAL 161.A O no hydrogen 2.755 N/A TRP 196.A NE1 GLU 194.A OE2 no hydrogen 2.748 N/A VAL 197.A N LYS 229.A O no hydrogen 2.806 N/A ILE 198.A N LEU 163.A O no hydrogen 2.804 N/A HIS 199.A N ILE 231.A O no hydrogen 3.002 N/A GLY 200.A N GLU 201.A OE1 no hydrogen 3.115 N/A GLY 200.A N GLU 201.A OE2 no hydrogen 3.197 N/A ARG 204.A NE ASP 202.A OD2 no hydrogen 3.389 N/A ARG 204.A NH2 ASP 202.A OD2 no hydrogen 3.434 N/A LEU 206.A N ASN 230.A OD1 no hydrogen 2.973 N/A CYS 207.A N ASP 205.A OD1 no hydrogen 3.124 N/A ASP 209.A N LEU 206.A O no hydrogen 3.123 N/A THR 211.A N ASP 209.A OD2 no hydrogen 2.854 N/A THR 211.A OG1 ASP 209.A OD2 no hydrogen 2.753 N/A ILE 212.A N ASP 209.A O no hydrogen 2.895 N/A LYS 213.A N ASP 209.A O no hydrogen 3.082 N/A LYS 213.A NZ GLN 208.A OE1 no hydrogen 3.504 N/A LYS 213.A NZ GLU 216.A OE1 no hydrogen 2.869 N/A GLU 214.A N PRO 210.A O no hydrogen 2.957 N/A LEU 215.A N THR 211.A O no hydrogen 3.113 N/A GLU 216.A N ILE 212.A O no hydrogen 2.874 N/A SER 217.A N LYS 213.A O no hydrogen 3.019 N/A SER 217.A OG LYS 213.A O no hydrogen 3.296 N/A SER 217.A OG GLU 214.A O no hydrogen 2.753 N/A ILE 218.A N GLU 214.A O no hydrogen 2.998 N/A ILE 219.A N LEU 215.A O no hydrogen 3.047 N/A SER 220.A N GLU 216.A O no hydrogen 2.969 N/A LYS 221.A N SER 217.A O no hydrogen 3.211 N/A LYS 221.A N ILE 218.A O no hydrogen 3.316 N/A ARG 222.A N ILE 219.A O no hydrogen 3.026 N/A ARG 222.A NE LEU 185.A O no hydrogen 3.033 N/A ARG 222.A NH2 LEU 185.A O no hydrogen 2.955 N/A ASN 223.A N SER 220.A O no hydrogen 3.267 N/A ILE 224.A N ILE 219.A O no hydrogen 3.396 N/A GLN 225.A N GLN 191.A O no hydrogen 2.991 N/A SER 227.A N LEU 193.A O no hydrogen 2.861 N/A LYS 229.A N ALA 195.A O no hydrogen 2.836 N/A LYS 229.A NZ GLU 194.A OE1 no hydrogen 2.794 N/A ASN 230.A ND2 ASP 205.A OD1 no hydrogen 2.876 N/A ILE 231.A N VAL 197.A O no hydrogen 3.024 N/A ARG 233.A N HIS 199.A O no hydrogen 2.910 N/A