Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u9g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N SER 119.A OG no hydrogen 2.988 N/A CYS 5.A SG GLY 120.A O no hydrogen 3.612 N/A CYS 6.A SG THR 9.A OG1 no hydrogen 3.079 N/A LYS 10.A N CYS 6.A O no hydrogen 2.939 N/A LYS 10.A NZ GLY 120.A O no hydrogen 2.833 N/A LYS 10.A NZ GLU 125.A OE1 no hydrogen 2.638 N/A LYS 10.A NZ GLU 125.A OE2 no hydrogen 3.405 N/A ILE 11.A N PHE 7.A O no hydrogen 2.957 N/A LEU 12.A N ILE 8.A O no hydrogen 3.008 N/A CYS 13.A N THR 9.A O no hydrogen 2.953 N/A CYS 13.A SG THR 9.A O no hydrogen 3.373 N/A CYS 13.A SG GLU 125.A O no hydrogen 3.824 N/A ALA 14.A N LYS 10.A O no hydrogen 3.114 N/A HIS 15.A N ILE 11.A O no hydrogen 3.177 N/A HIS 15.A N LEU 12.A O no hydrogen 3.040 N/A GLY 17.A N LEU 12.A O no hydrogen 2.846 N/A ARG 18.A NE ASN 206.A OD1 no hydrogen 2.784 N/A ARG 18.A NH2 ASN 206.A OD1 no hydrogen 2.884 N/A ARG 18.A NH2 ASP 209.A OD2 no hydrogen 2.533 N/A MET 19.A N VAL 56.A O no hydrogen 3.094 N/A THR 20.A N GLU 23.A OE1 no hydrogen 3.016 N/A LEU 21.A N ARG 54.A O no hydrogen 2.855 N/A GLU 23.A N THR 20.A OG1 no hydrogen 2.881 N/A LEU 24.A N THR 20.A O no hydrogen 3.014 N/A LEU 25.A N LEU 21.A O no hydrogen 2.823 N/A GLY 26.A N GLU 22.A O no hydrogen 3.086 N/A GLU 27.A N GLU 23.A O no hydrogen 3.053 N/A ILE 28.A N LEU 24.A O no hydrogen 2.876 N/A ARG 29.A N LEU 25.A O no hydrogen 2.823 N/A GLN 34.A N PRO 31.A O no hydrogen 2.946 N/A LEU 35.A N PRO 31.A O no hydrogen 3.219 N/A TYR 36.A N GLU 32.A O no hydrogen 2.933 N/A GLU 37.A N ALA 33.A O no hydrogen 3.185 N/A LEU 38.A N GLN 34.A O no hydrogen 3.405 N/A LEU 39.A N LEU 35.A O no hydrogen 2.987 N/A GLU 40.A N TYR 36.A O no hydrogen 2.851 N/A THR 41.A N GLU 37.A O no hydrogen 3.075 N/A THR 41.A OG1 GLU 37.A O no hydrogen 3.015 N/A ALA 42.A N LEU 38.A O no hydrogen 3.239 N/A GLY 43.A N LEU 39.A O no hydrogen 2.955 N/A ARG 46.A N GLY 43.A O no hydrogen 3.016 N/A PHE 47.A N GLY 43.A O no hydrogen 2.873 N/A VAL 48.A N VAL 57.A O no hydrogen 2.893 N/A LEU 50.A N SER 55.A O no hydrogen 3.064 N/A THR 52.A N THR 53.A O no hydrogen 3.278 N/A THR 52.A OG1 SER 55.A OG no hydrogen 3.099 N/A ARG 54.A NH1 TYR 36.A OH no hydrogen 2.674 N/A SER 55.A N LEU 50.A O no hydrogen 2.886 N/A SER 55.A OG THR 52.A OG1 no hydrogen 3.099 N/A VAL 56.A N MET 19.A O no hydrogen 2.840 N/A VAL 57.A N VAL 48.A O no hydrogen 2.835 N/A ALA 58.A N GLY 17.A O no hydrogen 2.950 N/A THR 59.A N ARG 46.A O no hydrogen 2.847 N/A THR 59.A OG1 SER 133.A OG no hydrogen 2.701 N/A THR 60.A N THR 59.A OG1 no hydrogen 2.792 N/A ARG 61.A NH2 ASP 45.A OD2 no hydrogen 2.619 N/A ALA 62.A N THR 60.A OG1 no hydrogen 2.936 N/A ARG 63.A NH1 THR 60.A O no hydrogen 2.867 N/A ARG 63.A NH1 ALA 62.A O no hydrogen 2.887 N/A VAL 64.A N ASP 134.A OD2 no hydrogen 2.771 N/A CYS 65.A N LEU 77.A O no hydrogen 2.701 N/A CYS 65.A SG HIS 78.A NE2 no hydrogen 3.526 N/A ARG 67.A NH1 PRO 73.A O no hydrogen 2.894 N/A ARG 67.A NH2 PRO 73.A O no hydrogen 3.415 N/A CYS 70.A SG HIS 78.A NE2 no hydrogen 3.516 N/A CYS 74.A SG HIS 78.A NE2 no hydrogen 3.335 N/A SER 76.A OG ASP 75.A OD2 no hydrogen 3.192 N/A LEU 77.A N ARG 63.A O no hydrogen 2.863 N/A HIS 78.A N ASN 109.A OD1 no hydrogen 2.899 N/A CYS 80.A N SER 101.A O no hydrogen 2.701 N/A CYS 80.A SG HIS 102.A NE2 no hydrogen 3.544 N/A LEU 84.A N CYS 80.A O no hydrogen 3.371 N/A LEU 85.A N LYS 81.A O no hydrogen 3.231 N/A LEU 85.A N LEU 82.A O no hydrogen 3.002 N/A GLY 86.A N ASN 83.A O no hydrogen 2.928 N/A ARG 87.A N LEU 82.A O no hydrogen 2.699 N/A ARG 87.A NH1 HIS 197.A O no hydrogen 2.532 N/A CYS 88.A SG HIS 102.A NE2 no hydrogen 3.237 N/A ALA 91.A N CYS 88.A O no hydrogen 3.141 N/A GLN 92.A N HIS 89.A O no hydrogen 2.637 N/A SER 93.A N HIS 89.A O no hydrogen 2.907 N/A ARG 95.A N SER 93.A OG no hydrogen 3.063 N/A CYS 98.A SG TYR 100.A O no hydrogen 3.646 N/A CYS 98.A SG HIS 102.A NE2 no hydrogen 3.631 N/A SER 101.A OG ASP 103.A O no hydrogen 3.000 N/A ASP 103.A N SER 101.A OG no hydrogen 3.181 N/A VAL 104.A N GLN 123.A OE1 no hydrogen 2.916 N/A LEU 105.A N ASP 103.A OD1 no hydrogen 2.961 N/A ASN 109.A N SER 106.A O no hydrogen 3.109 N/A ASN 109.A N SER 106.A OG no hydrogen 3.111 N/A ASN 109.A ND2 HIS 78.A O no hydrogen 3.006 N/A ASN 109.A ND2 VAL 104.A O no hydrogen 3.042 N/A PHE 110.A N GLU 107.A O no hydrogen 3.213 N/A GLN 111.A NE2 ASN 115.A OD1 no hydrogen 2.877 N/A LEU 113.A N ASN 109.A O no hydrogen 2.990 N/A LYS 114.A N PHE 110.A O no hydrogen 3.050 N/A LYS 114.A NZ ASP 1.A O no hydrogen 2.597 N/A ASN 115.A N GLN 111.A O no hydrogen 2.841 N/A HIS 116.A N ILE 112.A O no hydrogen 3.146 N/A HIS 116.A N LEU 113.A O no hydrogen 3.169 N/A GLU 117.A N LYS 114.A O no hydrogen 3.027 N/A LEU 118.A N LEU 113.A O no hydrogen 2.802 N/A ASN 122.A N GLU 125.A OE1 no hydrogen 2.993 N/A GLN 123.A NE2 HIS 102.A O no hydrogen 3.132 N/A GLU 125.A N ASN 122.A OD1 no hydrogen 2.769 N/A LEU 126.A N ASN 122.A O no hydrogen 2.925 N/A ALA 127.A N GLN 123.A O no hydrogen 2.871 N/A CYS 128.A N GLU 124.A O no hydrogen 3.103 N/A CYS 128.A SG CYS 13.A O no hydrogen 3.818 N/A LEU 129.A N GLU 125.A O no hydrogen 3.097 N/A LEU 130.A N LEU 126.A O no hydrogen 2.847 N/A VAL 131.A N ALA 127.A O no hydrogen 2.915 N/A GLN 132.A NE2 GLY 17.A O no hydrogen 3.073 N/A GLN 132.A NE2 ALA 58.A O no hydrogen 2.774 N/A SER 133.A N LEU 130.A O no hydrogen 3.031 N/A SER 133.A OG THR 59.A OG1 no hydrogen 2.701 N/A SER 133.A OG LEU 129.A O no hydrogen 2.726 N/A ASP 134.A N LEU 130.A O no hydrogen 2.881 N/A PHE 136.A N ASP 134.A OD1 no hydrogen 2.811 N/A PHE 137.A N ASP 134.A O no hydrogen 3.084 N/A LEU 138.A N PRO 135.A O no hydrogen 2.934 N/A CYS 142.A N LEU 163.A O no hydrogen 2.948 N/A CYS 142.A SG HIS 164.A NE2 no hydrogen 3.809 N/A TYR 145.A OH GLU 148.A OE2 no hydrogen 2.309 N/A LYS 146.A NZ LYS 143.A O no hydrogen 3.272 N/A GLU 148.A N LEU 180.A O no hydrogen 2.848 N/A GLN 152.A NE2 GLY 147.A O no hydrogen 3.004 N/A CYS 154.A SG HIS 164.A NE2 no hydrogen 3.520 N/A CYS 160.A SG ARG 162.A O no hydrogen 3.705 N/A CYS 160.A SG HIS 164.A NE2 no hydrogen 3.645 N/A ARG 162.A NE GLU 140.A OE1 no hydrogen 2.699 N/A ARG 162.A NH2 GLU 140.A OE1 no hydrogen 3.089 N/A LEU 163.A N GLU 140.A O no hydrogen 2.998 N/A CYS 166.A N SER 182.A O no hydrogen 2.934 N/A CYS 166.A SG HIS 183.A NE2 no hydrogen 3.635 N/A THR 170.A N CYS 166.A O no hydrogen 3.271 N/A THR 170.A OG1 GLU 167.A O no hydrogen 2.672 N/A ARG 171.A N GLU 167.A O no hydrogen 3.167 N/A ARG 171.A N HIS 168.A O no hydrogen 2.956 N/A ARG 171.A NH2 THR 170.A OG1 no hydrogen 2.808 N/A GLY 172.A N PHE 169.A O no hydrogen 3.088 N/A ASN 173.A N HIS 168.A O no hydrogen 2.927 N/A CYS 174.A SG HIS 183.A NE2 no hydrogen 3.563 N/A CYS 179.A SG ARG 181.A O no hydrogen 3.723 N/A ARG 181.A NE TYR 145.A O no hydrogen 3.193 N/A SER 182.A N TYR 145.A OH no hydrogen 2.901 N/A ASN 184.A N SER 182.A OG no hydrogen 3.007 N/A MET 186.A N ASN 184.A OD1 no hydrogen 2.962 N/A LYS 189.A NZ CYS 160.A O no hydrogen 3.422 N/A VAL 190.A N ASP 187.A OD2 no hydrogen 3.190 N/A LEU 191.A N ASP 187.A O no hydrogen 2.917 N/A THR 192.A N ARG 188.A O no hydrogen 3.043 N/A THR 192.A OG1 ARG 188.A O no hydrogen 3.050 N/A ILE 193.A N LYS 189.A O no hydrogen 3.299 N/A MET 194.A N VAL 190.A O no hydrogen 2.851 N/A ARG 195.A N LEU 191.A O no hydrogen 2.845 N/A GLU 196.A N THR 192.A O no hydrogen 3.021 N/A HIS 197.A N ILE 193.A O no hydrogen 3.136 N/A HIS 197.A N MET 194.A O no hydrogen 3.023 N/A GLY 198.A N ARG 195.A O no hydrogen 2.947 N/A LEU 199.A N MET 194.A O no hydrogen 2.870 N/A VAL 203.A N SER 200.A OG no hydrogen 3.264 N/A VAL 204.A N SER 200.A O no hydrogen 2.903 N/A GLN 205.A N PRO 201.A O no hydrogen 2.827 N/A GLN 205.A NE2 GLN 205.A O no hydrogen 3.251 N/A GLN 205.A NE2 ASP 209.A OD1 no hydrogen 3.359 N/A GLN 205.A NE2 ASP 209.A OD2 no hydrogen 3.298 N/A ASN 206.A N ASP 202.A O no hydrogen 3.229 N/A ASN 206.A ND2 GLY 16.A O no hydrogen 3.661 N/A ASN 206.A ND2 GLN 132.A OE1 no hydrogen 2.805 N/A ILE 207.A N VAL 203.A O no hydrogen 2.985 N/A GLN 208.A N VAL 204.A O no hydrogen 2.696 N/A GLN 208.A NE2 HIS 183.A O no hydrogen 3.520 N/A ASP 209.A N GLN 205.A O no hydrogen 2.931 N/A ILE 210.A N ASN 206.A O no hydrogen 2.853 N/A CYS 211.A N ILE 207.A O no hydrogen 2.824 N/A CYS 211.A SG PHE 169.A O no hydrogen 3.645 N/A CYS 211.A SG THR 170.A O no hydrogen 3.695 N/A CYS 211.A SG ILE 207.A O no hydrogen 3.426 N/A ASN 212.A N GLN 208.A O no hydrogen 2.753 N/A ASN 213.A N ASP 209.A O no hydrogen 3.015 N/A LYS 214.A N ILE 210.A O no hydrogen 3.025 N/A HIS 215.A N CYS 211.A O no hydrogen 2.923 N/A ALA 216.A N ASN 212.A O no hydrogen 3.112 N/A ALA 216.A N ASN 213.A O no hydrogen 3.160 N/A ARG 217.A N LYS 214.A O no hydrogen 3.256 N/A ARG 217.A NH1 LYS 214.A O no hydrogen 2.928 N/A ARG 217.A NH2 CYS 174.A O no hydrogen 2.819 N/A