Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u1s_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N SER 25.A OG no hydrogen 2.919 N/A VAL 5.A N LYS 23.A O no hydrogen 2.785 N/A GLN 6.A NE2 TYR 94.A O no hydrogen 2.826 N/A GLN 6.A NE2 THR 132.A OG1 no hydrogen 3.162 N/A SER 7.A N SER 21.A O no hydrogen 3.084 N/A SER 7.A OG SER 21.A O no hydrogen 3.545 N/A GLU 10.A N ALA 133.A O no hydrogen 2.941 N/A LYS 12.A N THR 135.A O no hydrogen 2.855 N/A LYS 12.A NZ SER 17.A O no hydrogen 3.282 N/A GLY 15.A N LEU 86C.A O no hydrogen 2.696 N/A SER 16.A N LYS 13.A O no hydrogen 3.093 N/A SER 16.A OG LYS 13.A O no hydrogen 3.045 N/A VAL 18.A N LEU 83.A O no hydrogen 2.964 N/A VAL 20.A N MET 81.A O no hydrogen 2.798 N/A SER 21.A N SER 7.A OG no hydrogen 2.996 N/A CYS 22.A N VAL 79.A O no hydrogen 2.769 N/A CYS 22.A SG VAL 5.A O no hydrogen 3.984 N/A LYS 23.A N VAL 5.A O no hydrogen 2.866 N/A LYS 23.A NZ SER 77.A O no hydrogen 3.550 N/A LYS 23.A NZ THR 78.A OG1 no hydrogen 2.975 N/A SER 25.A N GLN 3.A O no hydrogen 2.860 N/A SER 25.A OG GLN 3.A O no hydrogen 3.550 N/A ASN 27.A N ALA 24.A O no hydrogen 3.131 N/A ASN 27.A ND2 ASN 27.A O no hydrogen 2.930 N/A ASN 27.A ND2 SER 30.A OG no hydrogen 2.944 N/A ASN 27.A ND2 GLY 75.A O no hydrogen 2.617 N/A SER 28.A OG SER 25.A O no hydrogen 2.646 N/A SER 30.A N ASN 27.A O no hydrogen 3.206 N/A SER 30.A OG ASN 27.A O no hydrogen 3.440 N/A ASN 31.A N SER 28.A O no hydrogen 2.953 N/A HIS 32.A N SER 28.A O no hydrogen 2.942 N/A VAL 34.A N MET 51.A O no hydrogen 3.061 N/A HIS 35.A N LEU 97.A O no hydrogen 2.717 N/A TRP 36.A N GLY 49.A O no hydrogen 2.916 N/A VAL 37.A N TYR 95.A O no hydrogen 2.965 N/A ARG 38.A N GLU 46.A O no hydrogen 2.917 N/A ARG 38.A NE GLU 46.A OE1 no hydrogen 2.835 N/A ARG 38.A NH1 ASP 90.A OD1 no hydrogen 2.812 N/A ARG 38.A NH1 TYR 94.A OH no hydrogen 2.872 N/A ARG 38.A NH2 GLU 46.A OE1 no hydrogen 3.161 N/A GLN 39.A N ILE 93.A O no hydrogen 3.027 N/A GLN 39.A NE2 GLN 43.A O no hydrogen 2.929 N/A GLN 43.A N ALA 40.A O no hydrogen 2.854 N/A GLU 46.A N ARG 38.A O no hydrogen 2.906 N/A TRP 47.A NE1 HIS 35.A ND1 no hydrogen 2.964 N/A MET 48.A N TRP 36.A O no hydrogen 2.761 N/A TRP 50.A N GLY 59.A O no hydrogen 3.024 N/A MET 51.A N VAL 34.A O no hydrogen 2.948 N/A SER 52.A N LYS 57.A O no hydrogen 2.877 N/A SER 52.A OG ASP 56.A OD2 no hydrogen 2.737 N/A SER 52.A OG LYS 57.A O no hydrogen 3.452 N/A ASP 56.A N SER 52.A OG no hydrogen 3.199 N/A GLY 59.A N TRP 50.A O no hydrogen 3.279 N/A ALA 61.A N MET 48.A O no hydrogen 2.743 N/A LYS 63.A NZ GLU 46.A OE1 no hydrogen 3.515 N/A LYS 63.A NZ GLU 46.A OE2 no hydrogen 2.683 N/A PHE 64.A N ALA 61.A O no hydrogen 3.073 N/A GLN 65.A N GLN 62.A O no hydrogen 3.159 N/A ARG 67.A N PHE 64.A O no hydrogen 2.790 N/A ARG 67.A NH1 ASP 90.A OD2 no hydrogen 3.169 N/A ARG 67.A NH1 ARG 84A.A O no hydrogen 2.987 N/A ARG 67.A NH2 ASP 90.A OD1 no hydrogen 2.578 N/A ARG 67.A NH2 ASP 90.A OD2 no hydrogen 3.420 N/A VAL 68.A N PHE 64.A O no hydrogen 3.076 N/A THR 69.A N GLU 82.A O no hydrogen 2.909 N/A THR 71.A N TYR 80.A O no hydrogen 3.056 N/A ARG 72.A NH1 HIS 53A.A O no hydrogen 2.912 N/A ARG 72.A NH2 HIS 53A.A O no hydrogen 3.259 N/A ASP 73.A N THR 78.A O no hydrogen 3.108 N/A ALA 76.A N ASP 73.A O no hydrogen 3.058 N/A SER 77.A OG SER 74.A O no hydrogen 3.459 N/A VAL 79.A N CYS 22.A O no hydrogen 2.829 N/A TYR 80.A N THR 71.A O no hydrogen 2.803 N/A TYR 80.A OH ASP 73.A OD2 no hydrogen 3.380 N/A MET 81.A N VAL 20.A O no hydrogen 2.842 N/A GLU 82.A N THR 69.A O no hydrogen 2.870 N/A LEU 83.A N VAL 18.A O no hydrogen 2.898 N/A THR 87.A N ASP 90.A OD2 no hydrogen 2.835 N/A THR 87.A OG1 ASP 90.A OD2 no hydrogen 3.403 N/A ASP 89.A N THR 87.A OG1 no hydrogen 3.232 N/A ASP 90.A N THR 87.A O no hydrogen 2.843 N/A THR 91.A N ALA 88.A O no hydrogen 3.130 N/A THR 91.A OG1 ALA 88.A O no hydrogen 3.278 N/A ALA 92.A N VAL 134.A O no hydrogen 3.067 N/A ILE 93.A N GLN 39.A O no hydrogen 2.994 N/A TYR 94.A N THR 132.A O no hydrogen 2.746 N/A TYR 94.A OH ASP 90.A O no hydrogen 2.554 N/A TYR 95.A N VAL 37.A O no hydrogen 2.667 N/A CYS 96.A N GLN 6.A OE1 no hydrogen 3.035 N/A LEU 97.A N HIS 35.A O no hydrogen 2.880 N/A THR 98.A N VAL 127.A O no hydrogen 3.015 N/A GLY 99.A N ASP 33.A O no hydrogen 3.009 N/A SER 100.A N THR 124.A O no hydrogen 2.879 N/A SER 100.A OG THR 124.A OG1 no hydrogen 3.240 N/A SER 100.A OG ASP 126.A OD2 no hydrogen 3.019 N/A LYS 101.A NZ ASP 33.A OD1 no hydrogen 2.873 N/A LYS 101.A NZ ASP 33.A OD2 no hydrogen 3.430 N/A LYS 101.A NZ GLU 54B.A OE1 no hydrogen 2.747 N/A HIS 102.A N TYR 121.A O no hydrogen 2.715 N/A ARG 103.A NE ASP 120R.A OD1 no hydrogen 2.788 N/A ARG 103.A NH1 ASP 56.A OD1 no hydrogen 2.841 N/A ARG 103.A NH1 ASP 56.A OD2 no hydrogen 3.415 N/A ARG 103.A NH2 ASP 56.A OD2 no hydrogen 2.972 N/A ARG 103.A NH2 ASP 120R.A OD1 no hydrogen 3.526 N/A ARG 103.A NH2 ASP 120R.A OD2 no hydrogen 2.851 N/A LEU 104.A N GLY 119Q.A O no hydrogen 2.831 N/A TYR 121.A N HIS 102.A O no hydrogen 2.893 N/A TYR 121.A OH ASP 106B.A OD1 no hydrogen 2.475 N/A TYR 121.A OH ASP 106B.A OD2 no hydrogen 3.042 N/A ALA 123.A N SER 100.A O no hydrogen 2.933 N/A THR 124.A N SER 100.A O no hydrogen 3.250 N/A THR 124.A OG1 ASP 126.A OD1 no hydrogen 2.706 N/A THR 124.A OG1 ASP 126.A OD2 no hydrogen 3.311 N/A ASP 126.A N THR 98.A O no hydrogen 2.782 N/A VAL 127.A N THR 98.A OG1 no hydrogen 3.095 N/A GLY 129.A N CYS 96.A O no hydrogen 2.762 N/A GLY 131.A N GLN 6.A OE1 no hydrogen 3.039 N/A THR 132.A N TYR 94.A O no hydrogen 2.795 N/A THR 132.A OG1 SER 7.A O no hydrogen 2.858 N/A VAL 134.A N ALA 92.A O no hydrogen 2.894 N/A THR 135.A N GLU 10.A O no hydrogen 2.934 N/A VAL 136.A N THR 91.A OG1 no hydrogen 2.880 N/A SER 137.A N LYS 12.A O no hydrogen 2.818 N/A ALA 139.A N SER 137.A OG no hydrogen 3.011 N/A LYS 142.A N PHE 171.A O no hydrogen 2.884 N/A SER 145.A N LYS 168.A O no hydrogen 2.840 N/A PHE 147.A N LEU 166.A O no hydrogen 2.876 N/A LEU 149.A N GLY 164.A O no hydrogen 2.851 N/A SER 152.A N SER 155.A OG no hydrogen 2.876 N/A LYS 154.A N SER 152.A OG no hydrogen 2.994 N/A SER 155.A N SER 152.A O no hydrogen 3.045 N/A SER 155.A OG SER 152.A O no hydrogen 3.265 N/A SER 155.A OG ALA 162.A O no hydrogen 2.887 N/A THR 156.A OG1 THR 160.A O no hydrogen 3.345 N/A THR 156.A OG1 SER 211.A OG no hydrogen 2.949 N/A SER 157.A N THR 160.A O no hydrogen 2.905 N/A THR 160.A N SER 157.A O no hydrogen 3.097 N/A ALA 161.A N VAL 209.A O no hydrogen 2.767 N/A ALA 162.A N SER 155.A O no hydrogen 2.772 N/A LEU 163.A N VAL 207.A O no hydrogen 3.035 N/A GLY 164.A N LEU 149.A O no hydrogen 3.005 N/A CYS 165.A N SER 205.A O no hydrogen 2.799 N/A CYS 165.A SG GLY 164.A O no hydrogen 3.577 N/A LEU 166.A N PHE 147.A O no hydrogen 2.754 N/A VAL 167.A N LEU 203.A O no hydrogen 2.789 N/A LYS 168.A N SER 145.A O no hydrogen 2.777 N/A ASP 169.A N SER 202.A OG no hydrogen 3.218 N/A TYR 170.A N TYR 201.A O no hydrogen 3.016 N/A TYR 170.A OH GLU 173.A OE1 no hydrogen 2.718 N/A PHE 171.A N LYS 142.A O no hydrogen 2.937 N/A THR 176.A N ASN 224.A O no hydrogen 3.034 N/A SER 178.A N ASN 222.A O no hydrogen 3.013 N/A SER 178.A OG ASN 222.A OD1 no hydrogen 2.838 N/A TRP 179.A NE1 SER 205.A OG no hydrogen 2.872 N/A ASN 180.A N ILE 220.A O no hydrogen 2.842 N/A ASN 180.A ND2 THR 218.A O no hydrogen 3.102 N/A SER 181.A N ASN 222.A OD1 no hydrogen 2.973 N/A GLY 182.A N TRP 179.A O no hydrogen 2.998 N/A ALA 183.A N ASN 180.A O no hydrogen 2.903 N/A LEU 184.A N TRP 179.A O no hydrogen 3.232 N/A VAL 188.A N THR 185.A O no hydrogen 3.403 N/A HIS 189.A N VAL 206.A O no hydrogen 2.761 N/A THR 190.A OG1 SER 205.A OG no hydrogen 2.836 N/A PHE 191.A N SER 204.A O no hydrogen 2.957 N/A VAL 194.A N SER 202.A O no hydrogen 2.801 N/A GLN 196.A N LEU 200.A O no hydrogen 2.796 N/A GLY 199.A N GLN 196.A O no hydrogen 2.916 N/A LEU 200.A N SER 198.A OG no hydrogen 3.250 N/A TYR 201.A N TYR 170.A O no hydrogen 2.817 N/A SER 202.A N VAL 194.A O no hydrogen 2.996 N/A SER 202.A OG TYR 201.A O no hydrogen 3.110 N/A LEU 203.A N VAL 167.A O no hydrogen 3.046 N/A SER 205.A N CYS 165.A O no hydrogen 2.980 N/A SER 205.A OG THR 190.A OG1 no hydrogen 2.836 N/A VAL 206.A N HIS 189.A O no hydrogen 2.834 N/A VAL 207.A N LEU 163.A O no hydrogen 2.731 N/A THR 208.A N GLY 187.A O no hydrogen 3.245 N/A VAL 209.A N ALA 161.A O no hydrogen 2.791 N/A SER 211.A N GLY 159.A O no hydrogen 2.897 N/A SER 211.A OG THR 156.A OG1 no hydrogen 2.949 N/A SER 213.A N PRO 210.A O no hydrogen 2.954 N/A SER 213.A OG PRO 210.A O no hydrogen 2.646 N/A SER 213.A OG TYR 219.A OH no hydrogen 2.717 N/A LEU 214.A N SER 211.A O no hydrogen 3.204 N/A THR 216.A N SER 213.A O no hydrogen 3.182 N/A GLN 217.A N SER 213.A O no hydrogen 2.795 N/A TYR 219.A OH SER 213.A OG no hydrogen 2.717 N/A ILE 220.A N ASN 180.A OD1 no hydrogen 2.848 N/A CYS 221.A N LYS 234.A O no hydrogen 2.981 N/A CYS 221.A SG LYS 234.A O no hydrogen 3.903 N/A ASN 222.A N SER 178.A O no hydrogen 2.800 N/A ASN 222.A ND2 ASP 233.A OD1 no hydrogen 2.810 N/A VAL 223.A N VAL 232.A O no hydrogen 2.662 N/A ASN 224.A N THR 176.A O no hydrogen 2.973 N/A HIS 225.A N THR 230.A O no hydrogen 2.806 N/A HIS 225.A ND1 SER 228.A OG no hydrogen 2.688 N/A HIS 225.A NE2 PRO 172.A O no hydrogen 2.798 N/A SER 228.A N HIS 225.A O no hydrogen 3.132 N/A SER 228.A OG HIS 225.A ND1 no hydrogen 2.688 N/A SER 228.A OG HIS 225.A O no hydrogen 3.450 N/A SER 228.A OG THR 230.A OG1 no hydrogen 2.689 N/A ASN 229.A N LYS 226.A O no hydrogen 2.817 N/A THR 230.A N HIS 225.A O no hydrogen 3.137 N/A THR 230.A OG1 SER 228.A O no hydrogen 3.423 N/A THR 230.A OG1 SER 228.A OG no hydrogen 2.689 N/A LYS 231.A NZ ASP 233.A OD1 no hydrogen 2.712 N/A VAL 232.A N VAL 223.A O no hydrogen 2.780 N/A LYS 234.A N CYS 221.A O no hydrogen 2.948 N/A VAL 236.A N TYR 219.A O no hydrogen 2.828 N/A HIS 53A.A N ASP 33.A OD1 no hydrogen 2.811 N/A ARG 84A.A N ARG 67.A O no hydrogen 3.036 N/A ARG 84A.A NE GLY 66.A O no hydrogen 3.141 N/A ARG 84A.A NH2 GLY 66.A O no hydrogen 3.041 N/A ARG 105A.A NH1 GLU 116N.A OE2 no hydrogen 3.328 N/A GLU 54B.A N GLU 54B.A OE1 no hydrogen 2.886 N/A ASP 106B.A N GLU 117O.A O no hydrogen 2.825 N/A GLY 55C.A N SER 52.A O no hydrogen 2.923 N/A LEU 86C.A N SER 16.A O no hydrogen 3.034 N/A TYR 107C.A N GLU 117O.A O no hydrogen 3.014 N/A LEU 109E.A N TYR 115M.A O no hydrogen 2.863 N/A ASN 110G.A ND2 PRO 113K.A O no hydrogen 2.764 N/A TYR 115M.A N LEU 109E.A O no hydrogen 3.105 N/A GLU 117O.A N TYR 107C.A O no hydrogen 2.944 N/A TRP 118P.A NE1 GLU 116N.A OE1 no hydrogen 2.917 N/A GLY 119Q.A N LEU 104.A O no hydrogen 2.815 N/A