Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s3r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N TRP 208.A O no hydrogen 2.786 N/A SER 9.A N ILE 206.A O no hydrogen 2.955 N/A SER 9.A OG ILE 206.A O no hydrogen 2.519 N/A ARG 10.A N ASP 8.A OD1 no hydrogen 2.793 N/A ARG 10.A NE ASP 8.A OD1 no hydrogen 3.168 N/A ARG 10.A NE ASP 8.A OD2 no hydrogen 3.074 N/A ARG 10.A NH2 ASP 8.A OD2 no hydrogen 2.860 N/A LYS 11.A N ASP 8.A O no hydrogen 2.805 N/A LYS 12.A N SER 9.A O no hydrogen 3.126 N/A LYS 12.A NZ MET 167.A O no hydrogen 2.879 N/A TRP 13.A N SER 9.A O no hydrogen 3.142 N/A CYS 16.A N TRP 13.A O no hydrogen 3.178 N/A SER 18.A OG ASP 42.A OD1 no hydrogen 2.478 N/A ILE 19.A N CYS 16.A O no hydrogen 3.086 N/A THR 21.A N SER 18.A O no hydrogen 3.066 N/A THR 21.A OG1 LYS 17.A O no hydrogen 2.999 N/A ARG 23.A NH1 LEU 56.A O no hydrogen 3.089 N/A ARG 23.A NH2 LEU 56.A O no hydrogen 3.285 N/A GLN 25.A N SER 222.A O no hydrogen 3.171 N/A GLN 25.A NE2 CYS 28.A O no hydrogen 3.329 N/A SER 26.A N ASP 24.A OD1 no hydrogen 3.107 N/A SER 26.A OG PRO 107.A O no hydrogen 2.447 N/A ARG 27.A NE CYS 120.A O no hydrogen 2.715 N/A ARG 27.A NH1 TYR 125.A OH no hydrogen 2.720 N/A ARG 27.A NH2 PRO 119.A O no hydrogen 2.988 N/A CYS 28.A N SER 26.A O no hydrogen 2.690 N/A CYS 28.A SG SER 30.A OG no hydrogen 3.354 N/A CYS 28.A SG TYR 104.A OH no hydrogen 3.787 N/A GLY 29.A N CYS 72.A O no hydrogen 2.754 N/A SER 30.A OG TYR 104.A OH no hydrogen 2.739 N/A TRP 32.A NE1 GLY 71.A O no hydrogen 3.094 N/A ALA 33.A N SER 30.A O no hydrogen 2.749 N/A PHE 34.A N SER 30.A O no hydrogen 3.048 N/A GLY 35.A N CYS 31.A O no hydrogen 3.110 N/A VAL 37.A N ALA 33.A O no hydrogen 2.917 N/A GLU 38.A N PHE 34.A O no hydrogen 2.671 N/A ALA 39.A N GLY 35.A O no hydrogen 3.265 N/A MET 40.A N ALA 36.A O no hydrogen 3.026 N/A SER 41.A N VAL 37.A O no hydrogen 2.922 N/A SER 41.A OG VAL 37.A O no hydrogen 2.803 N/A ASP 42.A N GLU 38.A O no hydrogen 2.946 N/A ARG 43.A N ALA 39.A O no hydrogen 2.836 N/A ARG 43.A NE PRO 171.A O no hydrogen 2.760 N/A ARG 43.A NH1 TYR 153.A OH no hydrogen 3.235 N/A ARG 43.A NH1 GLU 165.A OE2 no hydrogen 3.118 N/A ARG 43.A NH1 GLY 251.A O no hydrogen 2.625 N/A ARG 43.A NH2 GLU 165.A OE2 no hydrogen 2.833 N/A ARG 43.A NH2 GLY 170.A O no hydrogen 2.978 N/A SER 44.A N MET 40.A O no hydrogen 2.856 N/A SER 44.A OG MET 40.A O no hydrogen 2.485 N/A CYS 45.A N SER 41.A O no hydrogen 3.252 N/A CYS 45.A SG ASN 53.A OD1 no hydrogen 3.787 N/A ILE 46.A N ASP 42.A O no hydrogen 2.929 N/A GLN 47.A N ARG 43.A O no hydrogen 2.874 N/A SER 48.A N SER 44.A O no hydrogen 3.358 N/A SER 48.A OG SER 44.A O no hydrogen 2.750 N/A GLY 49.A N ILE 46.A O no hydrogen 3.179 N/A LYS 51.A N SER 48.A O no hydrogen 3.450 N/A GLN 52.A N SER 48.A OG no hydrogen 2.860 N/A VAL 54.A N GLN 52.A O no hydrogen 2.974 N/A LEU 56.A N SER 41.A OG no hydrogen 2.969 N/A SER 57.A N VAL 90.A O no hydrogen 2.886 N/A SER 57.A OG GLU 102.A O no hydrogen 2.742 N/A ASP 60.A N SER 57.A OG no hydrogen 2.796 N/A LEU 61.A N SER 57.A O no hydrogen 3.508 N/A LEU 62.A N ALA 58.A O no hydrogen 2.805 N/A SER 63.A N VAL 59.A O no hydrogen 2.874 N/A SER 63.A OG VAL 59.A O no hydrogen 2.605 N/A SER 63.A OG ARG 129.A O no hydrogen 3.462 N/A CYS 64.A N ASP 60.A O no hydrogen 2.870 N/A CYS 64.A SG ASP 60.A OD1 no hydrogen 3.880 N/A CYS 64.A SG TYR 142.A OH no hydrogen 3.745 N/A CYS 65.A N LEU 61.A O no hydrogen 3.193 N/A LEU 70.A N GLY 74.A O no hydrogen 2.634 N/A CYS 72.A N THR 127.A OG1 no hydrogen 2.721 N/A GLU 73.A N LEU 70.A O no hydrogen 2.978 N/A GLY 74.A N GLY 71.A O no hydrogen 3.145 N/A ILE 76.A N CYS 68.A O no hydrogen 2.849 N/A TRP 81.A N LEU 77.A O no hydrogen 3.384 N/A TRP 81.A N GLY 78.A O no hydrogen 3.154 N/A TRP 81.A NE1 GLU 173.A OE1 no hydrogen 2.787 N/A ASP 82.A N GLY 78.A O no hydrogen 3.090 N/A TYR 83.A N PRO 79.A O no hydrogen 2.732 N/A TRP 84.A N ALA 80.A O no hydrogen 3.181 N/A VAL 85.A N TRP 81.A O no hydrogen 3.175 N/A LYS 86.A N ASP 82.A O no hydrogen 2.976 N/A GLU 87.A N TYR 83.A O no hydrogen 2.909 N/A GLY 88.A N TYR 83.A O no hydrogen 2.730 N/A ILE 89.A N HIS 147.A O no hydrogen 2.835 N/A VAL 90.A N ASP 60.A OD2 no hydrogen 2.734 N/A THR 91.A N ASP 145.A OD2 no hydrogen 2.934 N/A THR 91.A OG1 TYR 138.A OH no hydrogen 3.209 N/A THR 91.A OG1 ASP 145.A OD2 no hydrogen 2.621 N/A GLY 92.A N GLU 55.A O no hydrogen 2.901 N/A SER 93.A N ALA 99.A O no hydrogen 3.025 N/A SER 93.A OG SER 94.A O no hydrogen 3.221 N/A SER 93.A OG ALA 99.A O no hydrogen 3.145 N/A SER 94.A OG GLU 96.A OE2 no hydrogen 3.246 N/A ASN 97.A N SER 94.A O no hydrogen 3.201 N/A HIS 98.A N SER 94.A O no hydrogen 2.967 N/A ALA 99.A N SER 93.A OG no hydrogen 2.701 N/A CYS 101.A N THR 91.A OG1 no hydrogen 3.194 N/A CYS 101.A SG GLU 102.A OE1 no hydrogen 3.640 N/A GLU 102.A N THR 91.A O no hydrogen 2.945 N/A TYR 104.A N SER 93.A O no hydrogen 2.751 N/A TYR 104.A OH GLN 25.A O no hydrogen 2.558 N/A TYR 104.A OH SER 30.A OG no hydrogen 2.739 N/A LYS 108.A NZ TYR 117.A OH no hydrogen 3.000 N/A LYS 108.A NZ GLU 225.A OE1 no hydrogen 3.430 N/A CYS 109.A N ASP 24.A OD2 no hydrogen 3.043 N/A GLU 110.A N PRO 118.A O no hydrogen 3.097 N/A HIS 111.A NE2 ASP 24.A OD1 no hydrogen 2.796 N/A THR 113.A OG1 LYS 114.A O no hydrogen 3.557 N/A LYS 116.A N ASP 226.A OD2 no hydrogen 3.201 N/A TYR 117.A N GLU 110.A OE2 no hydrogen 2.778 N/A TYR 117.A OH GLU 225.A OE2 no hydrogen 2.938 N/A CYS 120.A N GLU 110.A O no hydrogen 2.907 N/A TYR 125.A N ARG 27.A O no hydrogen 2.864 N/A THR 127.A OG1 LEU 70.A O no hydrogen 3.497 N/A CYS 134.A SG THR 140.A O no hydrogen 3.422 N/A GLN 135.A N CYS 101.A O no hydrogen 2.787 N/A GLN 135.A NE2 HIS 98.A O no hydrogen 2.800 N/A GLN 135.A NE2 GLY 100.A O no hydrogen 2.866 N/A LYS 137.A NZ HIS 98.A O no hydrogen 2.923 N/A LYS 137.A NZ GLN 135.A OE1 no hydrogen 3.237 N/A TYR 138.A N GLN 135.A O no hydrogen 3.053 N/A TYR 138.A OH ASP 145.A OD1 no hydrogen 2.854 N/A TYR 138.A OH ASP 145.A OD2 no hydrogen 3.259 N/A TYR 142.A OH ASP 60.A OD1 no hydrogen 2.616 N/A GLN 144.A N PRO 141.A O no hydrogen 3.029 N/A ASP 145.A N PRO 141.A O no hydrogen 2.917 N/A ASP 145.A N TYR 142.A O no hydrogen 3.133 N/A LYS 146.A NZ ASP 60.A OD1 no hydrogen 3.538 N/A LYS 146.A NZ ASP 60.A OD2 no hydrogen 3.329 N/A LYS 146.A NZ GLY 88.A O no hydrogen 3.207 N/A LYS 146.A NZ TYR 142.A OH no hydrogen 2.966 N/A HIS 147.A N ILE 89.A O no hydrogen 2.929 N/A ARG 148.A NE LYS 86.A O no hydrogen 3.490 N/A GLY 149.A N TRP 84.A O no hydrogen 3.322 N/A LYS 150.A N ARG 252.A O no hydrogen 2.713 N/A SER 151.A N ARG 252.A O no hydrogen 3.258 N/A SER 152.A OG ASP 82.A OD1 no hydrogen 2.336 N/A TYR 153.A N ALA 250.A O no hydrogen 2.734 N/A TYR 153.A OH GLU 165.A OE2 no hydrogen 2.665 N/A VAL 155.A N VAL 248.A O no hydrogen 2.828 N/A ALA 161.A N ASP 158.A O no hydrogen 2.902 N/A ILE 162.A N ASP 158.A O no hydrogen 2.869 N/A GLN 163.A N GLU 159.A O no hydrogen 3.069 N/A LYS 164.A N LYS 160.A O no hydrogen 3.182 N/A GLU 165.A N ALA 161.A O no hydrogen 2.922 N/A ILE 166.A N ILE 162.A O no hydrogen 3.125 N/A MET 167.A N GLN 163.A O no hydrogen 3.150 N/A LYS 168.A N LYS 164.A O no hydrogen 3.054 N/A LYS 168.A NZ TYR 169.A OH no hydrogen 2.660 N/A TYR 169.A N GLU 165.A O no hydrogen 3.121 N/A GLY 170.A N ILE 166.A O no hydrogen 2.806 N/A VAL 172.A N ILE 205.A O no hydrogen 3.324 N/A GLU 173.A N THR 249.A O no hydrogen 3.069 N/A ALA 174.A N ILE 203.A O no hydrogen 2.798 N/A PHE 176.A N HIS 201.A O no hydrogen 2.930 N/A THR 177.A N CYS 242.A O no hydrogen 2.949 N/A VAL 178.A N GLY 199.A O no hydrogen 2.815 N/A GLU 180.A N GLU 196.A O no hydrogen 2.794 N/A PHE 182.A N TYR 179.A O no hydrogen 2.756 N/A LEU 183.A N GLU 180.A O no hydrogen 3.056 N/A ASN 184.A N ASP 181.A O no hydrogen 3.059 N/A TYR 185.A N PHE 182.A O no hydrogen 2.946 N/A TYR 185.A OH GLY 188.A O no hydrogen 2.611 N/A GLY 188.A N GLU 229.A OE2 no hydrogen 2.843 N/A TYR 190.A N ARG 234.A O no hydrogen 2.579 N/A TYR 190.A OH ASP 181.A OD1 no hydrogen 2.633 N/A HIS 192.A N GLU 241.A OE2 no hydrogen 2.812 N/A ILE 193.A N ASP 181.A OD2 no hydrogen 2.831 N/A THR 194.A N ASP 181.A OD2 no hydrogen 2.870 N/A GLU 196.A N GLU 180.A OE1 no hydrogen 2.718 N/A LEU 198.A N VAL 178.A O no hydrogen 2.882 N/A HIS 201.A N PHE 176.A O no hydrogen 3.001 N/A HIS 201.A NE2 ASN 221.A OD1 no hydrogen 2.770 N/A ILE 203.A N ALA 174.A O no hydrogen 2.805 N/A ARG 204.A N ALA 220.A O no hydrogen 3.373 N/A ARG 204.A NE GLU 38.A OE1 no hydrogen 3.231 N/A ARG 204.A NH1 ILE 19.A O no hydrogen 3.131 N/A ARG 204.A NH1 ASP 42.A OD2 no hydrogen 2.819 N/A ARG 204.A NH2 THR 21.A O no hydrogen 2.748 N/A ILE 205.A N VAL 172.A O no hydrogen 2.913 N/A ILE 206.A N LEU 218.A O no hydrogen 2.961 N/A TRP 208.A N PHE 7.A O no hydrogen 2.842 N/A TRP 208.A NE1 PRO 4.A O no hydrogen 3.202 N/A GLY 209.A N TYR 216.A O no hydrogen 3.119 N/A GLU 211.A N ALA 214.A O no hydrogen 2.946 N/A ALA 214.A N GLU 211.A O no hydrogen 3.101 N/A ALA 214.A N ASN 212.A O no hydrogen 2.630 N/A TYR 216.A N GLY 209.A O no hydrogen 2.930 N/A TRP 217.A N ILE 235.A O no hydrogen 2.872 N/A TRP 217.A NE1 GLU 245.A OE2 no hydrogen 3.016 N/A LEU 218.A N GLY 207.A O no hydrogen 2.948 N/A ILE 219.A N PHE 233.A O no hydrogen 2.936 N/A ALA 220.A N ARG 204.A O no hydrogen 2.796 N/A ASN 221.A N GLY 231.A O no hydrogen 3.289 N/A SER 222.A N ASN 221.A OD1 no hydrogen 2.793 N/A SER 222.A OG GLN 25.A OE1 no hydrogen 2.841 N/A ASN 224.A N ARG 23.A O no hydrogen 2.855 N/A ASN 224.A ND2 ASP 24.A OD2 no hydrogen 2.806 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.750 N/A ASP 226.A N ASN 224.A OD1 no hydrogen 2.602 N/A GLU 229.A N TYR 232.A O no hydrogen 2.919 N/A GLY 231.A N TRP 227.A O no hydrogen 2.740 N/A TYR 232.A N GLU 229.A O no hydrogen 3.185 N/A TYR 232.A OH ALA 20.A O no hydrogen 3.136 N/A PHE 233.A N ILE 219.A O no hydrogen 2.834 N/A ARG 234.A NE GLU 229.A OE1 no hydrogen 2.882 N/A ARG 234.A NE GLU 229.A OE2 no hydrogen 3.412 N/A ARG 234.A NH1 GLU 211.A OE1 no hydrogen 3.396 N/A ARG 234.A NH2 GLU 229.A OE2 no hydrogen 2.847 N/A ILE 235.A N TRP 217.A O no hydrogen 3.327 N/A VAL 236.A N TYR 190.A O no hydrogen 3.014 N/A ARG 237.A N PRO 215.A O no hydrogen 3.444 N/A ARG 237.A NE TYR 216.A O no hydrogen 3.221 N/A ARG 237.A NH1 GLU 159.A OE2 no hydrogen 2.728 N/A ARG 237.A NH2 GLY 209.A O no hydrogen 2.907 N/A GLY 238.A N GLU 245.A OE2 no hydrogen 2.794 N/A ASP 240.A N GLU 245.A OE1 no hydrogen 3.288 N/A CYS 242.A SG THR 177.A O no hydrogen 3.593 N/A SER 243.A N ASP 240.A O no hydrogen 2.738 N/A ILE 244.A N GLU 241.A O no hydrogen 3.059 N/A GLU 245.A N ASP 240.A OD1 no hydrogen 3.099 N/A SER 246.A N SER 243.A O no hydrogen 2.756 N/A SER 246.A OG ASP 240.A OD1 no hydrogen 2.909 N/A SER 246.A OG ASP 240.A OD2 no hydrogen 2.989 N/A THR 249.A N GLU 173.A O no hydrogen 2.920 N/A THR 249.A OG1 ASN 154.A OD1 no hydrogen 3.355 N/A ALA 250.A N TYR 153.A O no hydrogen 2.902 N/A ARG 252.A N SER 151.A O no hydrogen 3.009 N/A ARG 252.A NE TYR 153.A OH no hydrogen 3.480 N/A ILE 253.A N GLN 47.A OE1 no hydrogen 2.985 N/A