Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f85_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A ND1 TYR 5.A O no hydrogen 2.967 N/A TYR 5.A N GLU 127.A OE1 no hydrogen 2.766 N/A ILE 7.A N LEU 34.A O no hydrogen 3.095 N/A GLY 8.A N GLU 206.A O no hydrogen 2.831 N/A ASP 11.A N GLU 30.A OE2 no hydrogen 2.626 N/A HIS 12.A N VAL 10.A O no hydrogen 3.150 N/A ALA 14.A N ASP 11.A OD1 no hydrogen 3.192 N/A LEU 15.A N ASP 11.A O no hydrogen 3.239 N/A GLY 16.A N HIS 12.A O no hydrogen 3.095 N/A GLY 19.A N ASP 17.A OD1 no hydrogen 2.623 N/A ASP 20.A N ASP 17.A O no hydrogen 3.125 N/A TYR 23.A N ASP 20.A O no hydrogen 3.414 N/A ARG 26.A N GLY 22.A O no hydrogen 2.974 N/A ARG 26.A N TYR 23.A O no hydrogen 2.895 N/A ARG 26.A NE LEU 15.A O no hydrogen 2.576 N/A ARG 26.A NH2 LEU 15.A O no hydrogen 2.791 N/A LEU 27.A N TYR 23.A O no hydrogen 2.820 N/A ILE 28.A N GLU 24.A O no hydrogen 3.048 N/A ALA 29.A N ALA 25.A O no hydrogen 3.344 N/A GLU 30.A N ARG 26.A O no hydrogen 2.944 N/A LEU 31.A N LEU 27.A O no hydrogen 2.842 N/A HIS 32.A N ILE 28.A O no hydrogen 2.969 N/A ARG 33.A N ALA 29.A O no hydrogen 2.885 N/A ARG 33.A NE GLU 30.A OE1 no hydrogen 2.847 N/A ARG 33.A NH2 ALA 9.A O no hydrogen 3.021 N/A ARG 33.A NH2 GLU 30.A OE1 no hydrogen 3.566 N/A ARG 33.A NH2 GLU 30.A OE2 no hydrogen 2.724 N/A LEU 34.A N GLU 30.A O no hydrogen 2.976 N/A GLU 35.A N LEU 31.A O no hydrogen 2.991 N/A SER 36.A N HIS 32.A O no hydrogen 2.909 N/A SER 36.A OG HIS 32.A O no hydrogen 3.168 N/A ALA 37.A N ARG 33.A O no hydrogen 3.147 N/A GLN 38.A N LEU 34.A O no hydrogen 3.167 N/A GLN 38.A NE2 ASN 126.A OD1 no hydrogen 2.921 N/A GLN 38.A NE2 TYR 238.A OH no hydrogen 2.690 N/A ALA 39.A N GLU 35.A O no hydrogen 3.034 N/A GLU 40.A N SER 36.A O no hydrogen 2.913 N/A PHE 41.A N ALA 37.A O no hydrogen 2.989 N/A LEU 42.A N GLN 38.A O no hydrogen 2.893 N/A LEU 43.A N ALA 39.A O no hydrogen 2.910 N/A ASP 44.A N GLU 40.A O no hydrogen 3.014 N/A HIS 45.A N LEU 42.A O no hydrogen 3.027 N/A HIS 45.A ND1 PHE 41.A O no hydrogen 2.709 N/A LEU 46.A N LEU 43.A O no hydrogen 3.139 N/A VAL 49.A N GLY 47.A O no hydrogen 2.974 N/A GLY 50.A N ASP 53.A OD2 no hydrogen 2.770 N/A ASP 53.A N GLY 50.A O no hydrogen 2.983 N/A LEU 55.A N LYS 76.A O no hydrogen 2.860 N/A VAL 56.A N ALA 122.A O no hydrogen 3.104 N/A ASP 57.A N GLU 78.A O no hydrogen 2.851 N/A ALA 58.A N TRP 124.A O no hydrogen 2.922 N/A GLY 59.A N VAL 80.A O no hydrogen 2.709 N/A CYS 60.A N VAL 80.A O no hydrogen 3.014 N/A CYS 60.A SG GLY 61.A O no hydrogen 3.896 N/A ARG 62.A NE TYR 1.A O no hydrogen 2.783 N/A GLY 63.A N CYS 60.A O no hydrogen 2.996 N/A VAL 67.A N GLY 63.A O no hydrogen 3.025 N/A MET 68.A N GLY 64.A O no hydrogen 3.090 N/A ALA 69.A N SER 65.A O no hydrogen 2.803 N/A HIS 70.A N MET 66.A O no hydrogen 2.982 N/A HIS 70.A ND1 CYS 75.A O no hydrogen 2.891 N/A GLN 71.A N VAL 67.A O no hydrogen 3.082 N/A ARG 72.A N MET 68.A O no hydrogen 2.992 N/A ARG 72.A NH1 GLU 40.A O no hydrogen 3.196 N/A ARG 72.A NH1 GLU 40.A OE2 no hydrogen 2.688 N/A ARG 72.A NH1 ASP 44.A OD1 no hydrogen 3.070 N/A ARG 72.A NH2 ASP 44.A OD1 no hydrogen 2.395 N/A PHE 73.A N ALA 69.A O no hydrogen 2.838 N/A GLY 74.A N HIS 70.A O no hydrogen 2.467 N/A CYS 75.A SG LYS 76.A O no hydrogen 3.834 N/A LYS 76.A N ASP 53.A O no hydrogen 3.012 N/A VAL 77.A N HIS 102.A O no hydrogen 2.729 N/A GLU 78.A N LEU 55.A O no hydrogen 2.736 N/A GLY 79.A N ARG 104.A O no hydrogen 2.792 N/A VAL 80.A N ASP 57.A O no hydrogen 2.942 N/A THR 81.A N ARG 106.A O no hydrogen 3.166 N/A THR 81.A OG1 SER 83.A O no hydrogen 3.448 N/A GLN 86.A N SER 83.A OG no hydrogen 2.983 N/A ALA 87.A N SER 83.A O no hydrogen 2.996 N/A GLU 88.A N ALA 84.A O no hydrogen 2.912 N/A PHE 89.A N ALA 85.A O no hydrogen 2.921 N/A GLY 90.A N GLN 86.A O no hydrogen 2.969 N/A ASN 91.A N ALA 87.A O no hydrogen 2.970 N/A ASN 91.A ND2 SER 105.A O no hydrogen 2.863 N/A ARG 92.A N GLU 88.A O no hydrogen 2.933 N/A ARG 93.A N PHE 89.A O no hydrogen 2.870 N/A ALA 94.A N GLY 90.A O no hydrogen 2.856 N/A ARG 95.A N ASN 91.A O no hydrogen 2.892 N/A ARG 95.A NE ASN 91.A O no hydrogen 3.446 N/A GLU 96.A N ARG 92.A O no hydrogen 2.904 N/A LEU 97.A N ARG 93.A O no hydrogen 3.054 N/A LEU 97.A N ALA 94.A O no hydrogen 3.238 N/A GLY 98.A N ARG 95.A O no hydrogen 2.821 N/A ILE 99.A N ALA 94.A O no hydrogen 2.922 N/A HIS 102.A N ILE 99.A O no hydrogen 2.826 N/A VAL 103.A N ILE 99.A O no hydrogen 2.891 N/A ARG 104.A N VAL 77.A O no hydrogen 3.069 N/A ARG 104.A NE GLU 78.A OE1 no hydrogen 3.295 N/A ARG 104.A NH2 GLU 78.A OE1 no hydrogen 3.463 N/A ARG 104.A NH2 GLU 78.A OE2 no hydrogen 2.905 N/A SER 105.A N ASN 91.A OD1 no hydrogen 2.825 N/A ARG 106.A N GLY 79.A O no hydrogen 3.060 N/A ARG 106.A NH2 GLU 78.A OE1 no hydrogen 3.029 N/A CYS 108.A N THR 81.A O no hydrogen 2.823 N/A CYS 108.A SG ASN 109.A O no hydrogen 3.281 N/A CYS 108.A SG ASP 112.A O no hydrogen 3.392 N/A ASP 112.A N ASN 109.A O no hydrogen 3.304 N/A THR 113.A N GLU 140.A OE2 no hydrogen 2.691 N/A THR 113.A OG1 GLU 140.A OE2 no hydrogen 2.759 N/A GLY 118.A N ARG 143.A O no hydrogen 3.035 N/A THR 119.A N GLU 116.A O no hydrogen 3.293 N/A THR 119.A OG1 GLU 116.A O no hydrogen 2.674 N/A VAL 120.A N PHE 144.A O no hydrogen 2.846 N/A ALA 121.A N THR 54.A O no hydrogen 2.890 N/A SER 123.A N ARG 150.A O no hydrogen 2.995 N/A SER 123.A OG HIS 141.A ND1 no hydrogen 2.790 N/A TRP 124.A N VAL 56.A O no hydrogen 3.007 N/A ASN 125.A N VAL 152.A O no hydrogen 3.102 N/A ASN 125.A ND2 SER 128.A OG no hydrogen 3.175 N/A ASN 126.A ND2 GLN 38.A OE1 no hydrogen 2.981 N/A GLU 127.A N VAL 154.A O no hydrogen 2.874 N/A SER 128.A OG ALA 58.A O no hydrogen 2.736 N/A SER 129.A OG TYR 186.A OH no hydrogen 2.558 N/A VAL 132.A N SER 129.A O no hydrogen 3.196 N/A ASP 136.A N ASP 133.A OD2 no hydrogen 2.892 N/A VAL 137.A N ASP 133.A O no hydrogen 3.082 N/A PHE 138.A N LEU 134.A O no hydrogen 2.945 N/A ALA 139.A N HIS 135.A O no hydrogen 2.902 N/A GLU 140.A N ASP 136.A O no hydrogen 3.167 N/A HIS 141.A N VAL 137.A O no hydrogen 3.021 N/A HIS 141.A ND1 SER 123.A OG no hydrogen 2.790 N/A SER 142.A N PHE 138.A O no hydrogen 2.838 N/A SER 142.A OG ASN 193.A O no hydrogen 2.647 N/A ARG 143.A N ALA 139.A O no hydrogen 3.045 N/A ARG 143.A N GLU 140.A O no hydrogen 3.112 N/A ARG 143.A NE GLU 140.A OE1 no hydrogen 2.995 N/A ARG 143.A NH1 PHE 115.A O no hydrogen 2.844 N/A ARG 143.A NH2 PHE 115.A O no hydrogen 2.795 N/A ARG 143.A NH2 GLU 140.A OE2 no hydrogen 3.006 N/A PHE 144.A N GLU 140.A O no hydrogen 3.212 N/A LEU 145.A N HIS 141.A O no hydrogen 2.940 N/A ARG 146.A N VAL 120.A O no hydrogen 2.865 N/A ARG 146.A NH2 ASP 53.A OD1 no hydrogen 2.949 N/A GLY 148.A N ARG 245.A O no hydrogen 2.650 N/A GLY 149.A N ARG 146.A O no hydrogen 2.770 N/A ARG 150.A N ALA 121.A O no hydrogen 3.055 N/A ARG 150.A NE ASP 244.A OD1 no hydrogen 2.876 N/A ARG 150.A NH1 HIS 45.A O no hydrogen 2.851 N/A ARG 150.A NH2 ASP 244.A OD1 no hydrogen 2.717 N/A TYR 151.A N ALA 243.A O no hydrogen 2.723 N/A TYR 151.A OH ASN 125.A OD1 no hydrogen 2.741 N/A VAL 152.A N SER 123.A O no hydrogen 3.008 N/A THR 153.A N ILE 241.A O no hydrogen 3.009 N/A THR 153.A OG1 ASN 125.A O no hydrogen 2.994 N/A VAL 154.A N ASN 125.A O no hydrogen 3.171 N/A THR 155.A N VAL 239.A O no hydrogen 2.932 N/A THR 155.A OG1 SER 129.A OG no hydrogen 3.208 N/A THR 155.A OG1 GLY 156.A O no hydrogen 2.930 N/A THR 155.A OG1 TYR 186.A OH no hydrogen 2.968 N/A CYS 157.A N GLN 237.A O no hydrogen 2.845 N/A CYS 157.A SG GLN 237.A O no hydrogen 4.039 N/A TRP 158.A N HIS 181.A O no hydrogen 3.011 N/A ASN 159.A N SER 235.A O no hydrogen 2.885 N/A ASN 159.A ND2 GLY 234.A O no hydrogen 3.649 N/A ARG 161.A N ASN 159.A OD1 no hydrogen 3.031 N/A TYR 162.A N ASN 159.A O no hydrogen 3.135 N/A GLY 163.A N PRO 160.A O no hydrogen 3.174 N/A SER 166.A OG SER 235.A OG no hydrogen 2.808 N/A SER 170.A N SER 166.A O no hydrogen 3.157 N/A SER 170.A OG SER 166.A O no hydrogen 3.521 N/A GLN 171.A N LYS 167.A O no hydrogen 2.783 N/A ILE 172.A N TRP 168.A O no hydrogen 3.035 N/A ASN 173.A N VAL 169.A O no hydrogen 2.921 N/A ALA 174.A N SER 170.A O no hydrogen 2.905 N/A HIS 175.A N GLN 171.A O no hydrogen 3.017 N/A PHE 176.A N ILE 172.A O no hydrogen 3.091 N/A CYS 178.A N ASN 173.A O no hydrogen 2.982 N/A CYS 178.A SG ILE 172.A O no hydrogen 4.038 N/A CYS 178.A SG ASN 173.A OD1 no hydrogen 3.619 N/A ASN 179.A N MET 130.A O no hydrogen 2.700 N/A ILE 180.A N ASN 173.A OD1 no hydrogen 2.841 N/A HIS 181.A NE2 SER 129.A O no hydrogen 3.133 N/A SER 182.A N GLU 185.A OE1 no hydrogen 3.239 N/A ARG 183.A N TRP 158.A O no hydrogen 2.979 N/A ARG 183.A NH1 ASN 159.A OD1 no hydrogen 2.955 N/A ARG 183.A NH1 GLN 237.A OE1 no hydrogen 2.600 N/A GLU 185.A N SER 182.A OG no hydrogen 3.282 N/A TYR 186.A N SER 182.A O no hydrogen 3.359 N/A TYR 186.A OH SER 129.A OG no hydrogen 2.558 N/A LEU 187.A N ARG 183.A O no hydrogen 3.280 N/A ARG 188.A N ARG 184.A O no hydrogen 2.999 N/A ALA 189.A N GLU 185.A O no hydrogen 2.821 N/A MET 190.A N TYR 186.A O no hydrogen 3.130 N/A ALA 191.A N LEU 187.A O no hydrogen 3.051 N/A ASP 192.A N ARG 188.A O no hydrogen 2.957 N/A ASN 193.A N MET 190.A O no hydrogen 2.874 N/A ASN 193.A ND2 HIS 135.A ND1 no hydrogen 3.327 N/A ASN 193.A ND2 HIS 135.A O no hydrogen 3.368 N/A ASN 193.A ND2 ALA 189.A O no hydrogen 2.815 N/A ARG 194.A NE VAL 246.A OXT no hydrogen 2.748 N/A ARG 194.A NH2 VAL 246.A O no hydrogen 2.947 N/A ARG 194.A NH2 VAL 246.A OXT no hydrogen 3.424 N/A LEU 195.A N MET 190.A O no hydrogen 3.022 N/A VAL 196.A N ASP 244.A O no hydrogen 2.855 N/A GLN 198.A N ALA 242.A O no hydrogen 2.560 N/A THR 199.A N ALA 242.A O no hydrogen 3.095 N/A VAL 201.A N LEU 240.A O no hydrogen 2.936 N/A LEU 203.A N TYR 238.A O no hydrogen 2.638 N/A THR 204.A N ASP 202.A OD1 no hydrogen 2.726 N/A THR 204.A OG1 ASP 202.A OD1 no hydrogen 2.572 N/A THR 207.A N LEU 203.A O no hydrogen 2.997 N/A THR 207.A N THR 204.A O no hydrogen 3.256 N/A THR 207.A OG1 GLY 6.A O no hydrogen 2.697 N/A LEU 208.A N THR 204.A O no hydrogen 3.188 N/A TYR 210.A OH GLU 35.A OE2 no hydrogen 2.660 N/A TRP 211.A N THR 207.A O no hydrogen 3.353 N/A GLU 212.A N LEU 208.A O no hydrogen 3.018 N/A LEU 213.A N PRO 209.A O no hydrogen 3.002 N/A ARG 214.A N TYR 210.A O no hydrogen 2.990 N/A ARG 214.A NE GLU 224.A OE2 no hydrogen 3.249 N/A ARG 214.A NH2 THR 221.A OG1 no hydrogen 3.313 N/A ALA 215.A N TRP 211.A O no hydrogen 2.866 N/A THR 216.A N LEU 213.A O no hydrogen 3.025 N/A THR 216.A OG1 LEU 213.A O no hydrogen 2.699 N/A SER 217.A N ARG 214.A O no hydrogen 3.037 N/A SER 217.A OG ARG 214.A O no hydrogen 2.683 N/A SER 218.A N GLU 24.A OE2 no hydrogen 3.128 N/A LEU 219.A N SER 217.A OG no hydrogen 3.076 N/A THR 221.A N GLU 224.A OE1 no hydrogen 3.196 N/A THR 221.A N GLU 224.A OE2 no hydrogen 3.257 N/A ALA 226.A N ILE 223.A O no hydrogen 3.098 N/A PHE 227.A N ILE 223.A O no hydrogen 3.385 N/A ILE 228.A N GLU 224.A O no hydrogen 3.007 N/A GLU 229.A N GLU 225.A O no hydrogen 3.005 N/A SER 230.A N ALA 226.A O no hydrogen 3.000 N/A SER 230.A OG ALA 226.A O no hydrogen 2.815 N/A SER 230.A OG PHE 227.A O no hydrogen 3.122 N/A TYR 231.A N PHE 227.A O no hydrogen 2.853 N/A ARG 232.A N ILE 228.A O no hydrogen 2.953 N/A ARG 232.A NH2 GLU 212.A OE2 no hydrogen 2.624 N/A ASP 233.A N GLU 229.A O no hydrogen 2.964 N/A SER 235.A N ASP 233.A OD1 no hydrogen 2.810 N/A SER 235.A OG SER 166.A OG no hydrogen 2.808 N/A SER 235.A OG ASP 233.A OD1 no hydrogen 2.824 N/A PHE 236.A N SER 230.A O no hydrogen 3.202 N/A GLN 237.A N CYS 157.A O no hydrogen 2.912 N/A GLN 237.A NE2 ASP 202.A OD2 no hydrogen 2.840 N/A TYR 238.A N THR 204.A OG1 no hydrogen 2.971 N/A TYR 238.A OH GLU 127.A OE1 no hydrogen 2.253 N/A VAL 239.A N THR 155.A O no hydrogen 2.873 N/A LEU 240.A N VAL 201.A O no hydrogen 2.994 N/A ILE 241.A N THR 153.A O no hydrogen 2.912 N/A ALA 242.A N THR 199.A O no hydrogen 2.805 N/A ALA 243.A N TYR 151.A O no hydrogen 2.686 N/A ASP 244.A N VAL 196.A O no hydrogen 2.959 N/A ARG 245.A N GLY 149.A O no hydrogen 2.877 N/A ARG 245.A NE SER 142.A O no hydrogen 2.677 N/A ARG 245.A NH2 SER 142.A O no hydrogen 3.490 N/A VAL 246.A N ARG 194.A O no hydrogen 3.031 N/A