Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gjb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ASP 81.A OD2 no hydrogen 2.796 N/A THR 4.A N ASN 2.A OD1 no hydrogen 2.838 N/A THR 4.A OG1 ASN 2.A OD1 no hydrogen 2.913 N/A PHE 5.A N SER 85.A OG no hydrogen 2.821 N/A SER 6.A N GLU 9.A OE1 no hydrogen 2.751 N/A GLU 9.A N SER 6.A OG no hydrogen 2.964 N/A VAL 10.A N SER 6.A O no hydrogen 2.912 N/A ALA 11.A N PRO 7.A O no hydrogen 3.003 N/A ARG 12.A N GLU 8.A O no hydrogen 3.025 N/A PHE 13.A N GLU 9.A O no hydrogen 3.053 N/A GLU 14.A N VAL 10.A O no hydrogen 3.027 N/A ARG 15.A N ALA 11.A O no hydrogen 3.004 N/A ASP 16.A N ARG 12.A O no hydrogen 2.864 N/A GLY 17.A N PHE 13.A O no hydrogen 2.697 N/A ILE 19.A N ILE 176.A O no hydrogen 2.719 N/A VAL 22.A N ALA 174.A O no hydrogen 2.822 N/A LYS 23.A NZ GLU 26.A OE2 no hydrogen 2.971 N/A ILE 24.A N GLY 172.A O no hydrogen 2.868 N/A PHE 25.A N GLY 172.A O no hydrogen 3.076 N/A MET 30.A N GLU 26.A O no hydrogen 2.900 N/A THR 31.A N PRO 27.A O no hydrogen 3.013 N/A THR 31.A OG1 PRO 27.A O no hydrogen 2.978 N/A ARG 32.A N GLU 28.A O no hydrogen 2.900 N/A ARG 32.A NE GLU 29.A OE2 no hydrogen 2.451 N/A ARG 32.A NH2 GLU 29.A OE1 no hydrogen 3.523 N/A ARG 32.A NH2 GLU 29.A OE2 no hydrogen 2.928 N/A ARG 33.A N GLU 29.A O no hydrogen 2.859 N/A ARG 33.A NE GLU 29.A OE1 no hydrogen 2.747 N/A ARG 33.A NH1 GLU 72.A OE1 no hydrogen 3.412 N/A ARG 33.A NH2 GLU 72.A OE1 no hydrogen 3.551 N/A ARG 33.A NH2 GLU 72.A OE2 no hydrogen 2.939 N/A TRP 34.A N MET 30.A O no hydrogen 2.834 N/A TRP 34.A NE1 TYR 195.A OH no hydrogen 2.757 N/A ASN 35.A N THR 31.A O no hydrogen 2.847 N/A ILE 37.A N ARG 33.A O no hydrogen 2.831 N/A ARG 38.A N TRP 34.A O no hydrogen 2.887 N/A GLN 40.A N ILE 36.A O no hydrogen 3.003 N/A LEU 41.A N ILE 37.A O no hydrogen 2.773 N/A LEU 42.A N ARG 39.A O no hydrogen 3.213 N/A ASP 43.A N GLN 40.A O no hydrogen 2.970 N/A ARG 44.A NH2 TYR 49.A O no hydrogen 2.905 N/A SER 45.A N ASP 43.A OD1 no hydrogen 2.968 N/A SER 45.A OG ASP 43.A OD1 no hydrogen 3.246 N/A SER 45.A OG ASP 43.A OD2 no hydrogen 3.473 N/A ALA 47.A N ARG 44.A O no hydrogen 2.936 N/A TYR 49.A OH ASP 62.A OD2 no hydrogen 2.628 N/A GLY 54.A N SER 52.A OG no hydrogen 2.850 N/A ALA 56.A N ASP 222.A O no hydrogen 2.863 N/A ASN 57.A N GLY 54.A O no hydrogen 2.994 N/A ILE 58.A N GLY 54.A O no hydrogen 3.114 N/A SER 59.A N LYS 55.A O no hydrogen 2.764 N/A ASN 60.A N ASN 57.A O no hydrogen 3.032 N/A TYR 61.A N ALA 56.A O no hydrogen 2.780 N/A ASP 62.A N SER 96.A O no hydrogen 2.745 N/A ARG 63.A NE ASN 60.A OD1 no hydrogen 3.069 N/A ARG 63.A NH2 ASP 43.A O no hydrogen 2.882 N/A HIS 64.A ND1 SER 96.A OG no hydrogen 2.713 N/A LEU 65.A N ASP 62.A O no hydrogen 3.241 N/A ASP 66.A N ARG 63.A O no hydrogen 3.012 N/A ILE 67.A N ARG 63.A O no hydrogen 2.754 N/A LEU 70.A N ILE 67.A O no hydrogen 3.016 N/A ALA 71.A N ILE 67.A O no hydrogen 2.843 N/A GLU 72.A N ASP 68.A O no hydrogen 2.892 N/A HIS 73.A N LEU 69.A O no hydrogen 3.084 N/A HIS 73.A NE2 THR 142.A OG1 no hydrogen 3.090 N/A ILE 74.A N LEU 70.A O no hydrogen 3.203 N/A MET 75.A N GLU 72.A O no hydrogen 2.960 N/A ARG 76.A N HIS 73.A O no hydrogen 3.131 N/A ARG 76.A NE GLU 72.A OE2 no hydrogen 3.492 N/A ARG 76.A NH1 GLU 78.A OE1 no hydrogen 3.506 N/A ARG 76.A NH1 GLU 78.A OE2 no hydrogen 2.892 N/A ARG 76.A NH2 GLU 72.A OE2 no hydrogen 3.164 N/A GLU 78.A N GLU 78.A OE1 no hydrogen 2.504 N/A ILE 79.A N ARG 76.A O no hydrogen 2.939 N/A VAL 80.A N ARG 76.A O no hydrogen 2.731 N/A ASP 81.A N PRO 77.A O no hydrogen 2.810 N/A ARG 82.A NH1 LYS 23.A O no hydrogen 3.083 N/A ARG 82.A NH1 GLU 78.A O no hydrogen 2.846 N/A VAL 83.A N ILE 79.A O no hydrogen 2.900 N/A GLY 84.A N VAL 80.A O no hydrogen 2.745 N/A SER 85.A N ASP 81.A O no hydrogen 3.127 N/A SER 85.A N ARG 82.A O no hydrogen 3.016 N/A SER 85.A OG ASP 81.A O no hydrogen 2.549 N/A LEU 86.A N VAL 83.A O no hydrogen 2.775 N/A ILE 87.A N VAL 83.A O no hydrogen 2.916 N/A GLY 88.A N GLY 84.A O no hydrogen 3.017 N/A LEU 91.A N SER 235.A O no hydrogen 3.357 N/A LEU 92.A N VAL 204.A O no hydrogen 2.896 N/A CYS 93.A N VAL 232.A O no hydrogen 2.936 N/A CYS 93.A SG ARG 95.A O no hydrogen 3.755 N/A CYS 93.A SG ARG 202.A O no hydrogen 3.750 N/A TRP 94.A N ARG 202.A O no hydrogen 3.130 N/A TRP 94.A NE1 THR 137.A OG1 no hydrogen 2.911 N/A ARG 95.A NH1 GLN 124.A OE1 no hydrogen 2.911 N/A ARG 95.A NH2 GLN 124.A OE1 no hydrogen 2.890 N/A SER 96.A N ASP 62.A OD1 no hydrogen 3.046 N/A SER 96.A OG HIS 64.A ND1 no hydrogen 2.713 N/A GLU 97.A N ALA 200.A O no hydrogen 2.898 N/A PHE 98.A N SER 59.A O no hydrogen 3.202 N/A PHE 99.A N GLY 198.A O no hydrogen 2.748 N/A LYS 101.A N ARG 196.A O no hydrogen 2.842 N/A LYS 101.A NZ GLY 152.A O no hydrogen 2.912 N/A LYS 101.A NZ LEU 186.A O no hydrogen 2.420 N/A TYR 102.A N ASP 105.A OD2 no hydrogen 2.713 N/A GLY 104.A N HIS 188.A O no hydrogen 3.106 N/A ASP 105.A N TYR 102.A O no hydrogen 2.959 N/A THR 108.A N SER 185.A O no hydrogen 2.832 N/A THR 108.A OG1 SER 185.A OG no hydrogen 2.849 N/A TRP 110.A N ASP 109.A OD1 no hydrogen 2.590 N/A HIS 111.A N HIS 183.A O no hydrogen 2.960 N/A HIS 111.A ND1 ASP 109.A O no hydrogen 2.521 N/A GLN 112.A NE2 ASN 180.A O no hydrogen 2.909 N/A THR 115.A OG1 ILE 135.A O no hydrogen 2.594 N/A ALA 117.A N LYS 122.A O no hydrogen 2.755 N/A ALA 119.A N ASP 222.A OD2 no hydrogen 2.841 N/A GLY 121.A N ALA 117.A O no hydrogen 2.620 N/A LYS 122.A N THR 120.A OG1 no hydrogen 3.237 N/A GLN 124.A N THR 115.A O no hydrogen 3.246 N/A GLN 124.A NE2 THR 115.A O no hydrogen 2.903 N/A ILE 126.A N GLN 209.A O no hydrogen 2.942 N/A TRP 127.A N PHE 134.A O no hydrogen 3.037 N/A TRP 127.A NE1 GLY 136.A O no hydrogen 2.738 N/A THR 137.A N SER 179.A OG no hydrogen 3.060 N/A THR 137.A OG1 TYR 203.A O no hydrogen 2.929 N/A ILE 138.A N TYR 203.A O no hydrogen 3.011 N/A THR 139.A N PHE 177.A O no hydrogen 2.751 N/A THR 139.A OG1 THR 137.A O no hydrogen 3.393 N/A VAL 140.A N ALA 201.A O no hydrogen 2.793 N/A TRP 141.A N VAL 175.A O no hydrogen 2.938 N/A THR 142.A N PHE 199.A O no hydrogen 2.857 N/A THR 142.A OG1 HIS 73.A NE2 no hydrogen 3.090 N/A ALA 143.A N GLU 173.A O no hydrogen 2.873 N/A PHE 144.A N MET 197.A O no hydrogen 2.682 N/A THR 145.A OG1 HIS 146.A O no hydrogen 3.449 N/A THR 145.A OG1 TYR 195.A O no hydrogen 3.175 N/A HIS 146.A NE2 ASP 194.A OD1 no hydrogen 2.723 N/A SER 147.A N LEU 169.A O no hydrogen 2.856 N/A ASN 151.A N THR 148.A OG1 no hydrogen 3.000 N/A GLY 152.A N GLU 149.A O no hydrogen 3.435 N/A CYS 153.A N THR 148.A O no hydrogen 2.868 N/A CYS 153.A SG LEU 154.A O no hydrogen 3.577 N/A GLN 155.A N ALA 184.A O no hydrogen 2.683 N/A LEU 156.A N TYR 165.A O no hydrogen 2.959 N/A GLY 159.A N ASP 16.A OD1 no hydrogen 2.895 N/A MET 167.A N LEU 154.A O no hydrogen 2.972 N/A LEU 169.A N SER 147.A O no hydrogen 2.901 N/A LYS 170.A N GLU 173.A OE1 no hydrogen 2.669 N/A LYS 170.A NZ GLU 173.A OE2 no hydrogen 3.363 N/A GLY 172.A N ALA 143.A O no hydrogen 2.845 N/A GLU 173.A N LYS 170.A O no hydrogen 2.974 N/A ALA 174.A N VAL 22.A O no hydrogen 2.817 N/A VAL 175.A N TRP 141.A O no hydrogen 2.955 N/A ILE 176.A N ILE 19.A O no hydrogen 2.789 N/A PHE 177.A N THR 139.A O no hydrogen 3.013 N/A TRP 178.A N GLY 17.A O no hydrogen 3.169 N/A SER 179.A N THR 137.A O no hydrogen 2.911 N/A SER 179.A OG THR 137.A O no hydrogen 3.311 N/A THR 181.A N TRP 178.A O no hydrogen 2.933 N/A THR 181.A OG1 GLY 17.A O no hydrogen 2.788 N/A THR 181.A OG1 TRP 178.A O no hydrogen 2.936 N/A HIS 183.A N HIS 111.A O no hydrogen 2.951 N/A HIS 183.A ND1 THR 181.A O no hydrogen 3.020 N/A ALA 184.A N GLN 155.A O no hydrogen 2.826 N/A SER 185.A N THR 108.A O no hydrogen 3.211 N/A SER 185.A OG THR 108.A OG1 no hydrogen 2.849 N/A LEU 186.A N CYS 153.A O no hydrogen 3.228 N/A HIS 188.A N ASP 105.A O no hydrogen 2.830 N/A HIS 188.A NE2 ASP 194.A O no hydrogen 2.538 N/A THR 189.A N GLN 150.A O no hydrogen 2.769 N/A THR 189.A OG1 GLN 150.A O no hydrogen 3.548 N/A GLY 190.A N HIS 188.A ND1 no hydrogen 3.064 N/A SER 191.A OG THR 193.A OG1 no hydrogen 3.289 N/A THR 193.A OG1 SER 191.A OG no hydrogen 3.289 N/A ASP 194.A N SER 191.A O no hydrogen 3.167 N/A ARG 196.A N LYS 101.A O no hydrogen 2.992 N/A ARG 196.A NH1 PHE 99.A O no hydrogen 2.897 N/A ARG 196.A NH2 GLY 152.A O no hydrogen 2.942 N/A MET 197.A N THR 145.A OG1 no hydrogen 2.697 N/A GLY 198.A N PHE 99.A O no hydrogen 3.012 N/A PHE 199.A N THR 142.A O no hydrogen 2.790 N/A ALA 200.A N GLU 97.A O no hydrogen 2.901 N/A ALA 201.A N VAL 140.A O no hydrogen 3.003 N/A ARG 202.A N ARG 95.A O no hydrogen 2.706 N/A ARG 202.A NE GLU 97.A OE2 no hydrogen 2.917 N/A ARG 202.A NH2 GLU 97.A OE2 no hydrogen 3.236 N/A TYR 203.A N ILE 138.A O no hydrogen 2.684 N/A TYR 203.A OH ILE 74.A O no hydrogen 2.795 N/A VAL 204.A N LEU 92.A O no hydrogen 2.911 N/A THR 206.A N ASN 90.A O no hydrogen 3.107 N/A GLN 207.A N GLN 207.A OE1 no hydrogen 2.579 N/A VAL 208.A N PRO 205.A O no hydrogen 3.149 N/A GLN 209.A N ILE 126.A O no hydrogen 2.809 N/A GLN 209.A NE2 VAL 210.A O no hydrogen 2.873 N/A GLN 209.A NE2 HIS 242.A O no hydrogen 3.050 N/A VAL 210.A N ASN 243.A OD1 no hydrogen 2.606 N/A TYR 211.A N GLN 124.A O no hydrogen 2.613 N/A THR 214.A OG1 TYR 211.A O no hydrogen 2.596 N/A LEU 217.A N THR 214.A O no hydrogen 2.925 N/A TYR 220.A N ILE 224.A O no hydrogen 2.946 N/A ILE 224.A N GLY 221.A O no hydrogen 2.905 N/A ASN 225.A ND2 GLU 219.A OE1 no hydrogen 3.263 N/A LEU 226.A N THR 218.A O no hydrogen 2.758 N/A GLU 227.A N ASN 225.A OD1 no hydrogen 3.134 N/A TYR 229.A N LEU 226.A O no hydrogen 2.840 N/A TYR 229.A OH TRP 94.A O no hydrogen 2.677 N/A ALA 231.A N ARG 244.A O no hydrogen 2.741 N/A VAL 232.A N CYS 93.A O no hydrogen 3.019 N/A THR 234.A N LEU 91.A O no hydrogen 2.713 N/A THR 234.A OG1 ILE 74.A O no hydrogen 3.340 N/A SER 235.A OG ARG 89.A O no hydrogen 2.505 N/A GLY 236.A N ARG 258.A O no hydrogen 3.260 N/A VAL 237.A N ASN 90.A OD1 no hydrogen 2.653 N/A TYR 240.A N ASP 238.A OD1 no hydrogen 2.848 N/A GLY 241.A N ASP 238.A OD1 no hydrogen 3.122 N/A GLY 241.A N ASP 238.A OD2 no hydrogen 3.120 N/A HIS 242.A NE2 THR 206.A O no hydrogen 2.840 N/A ASN 243.A ND2 VAL 208.A O no hydrogen 2.806 N/A ARG 244.A NH1 THR 214.A OG1 no hydrogen 3.043 N/A ARG 244.A NH2 THR 214.A O no hydrogen 2.664 N/A ARG 244.A NH2 THR 214.A OG1 no hydrogen 3.395 N/A ARG 244.A NH2 LEU 217.A O no hydrogen 3.510 N/A ALA 246.A N ALA 231.A O no hydrogen 2.770 N/A ARG 247.A NE GLU 254.A OE2 no hydrogen 3.108 N/A ARG 247.A NH2 GLU 254.A OE2 no hydrogen 3.350 N/A THR 248.A OG1 GLU 254.A OE1 no hydrogen 2.688 N/A SER 249.A N TYR 253.A O no hydrogen 2.857 N/A GLN 250.A N LEU 65.A O no hydrogen 2.694 N/A ARG 251.A N SER 249.A OG no hydrogen 3.001 N/A ARG 251.A NH1 ASP 66.A O no hydrogen 2.502 N/A ARG 251.A NH1 ASP 66.A OD2 no hydrogen 3.549 N/A GLY 252.A N SER 249.A O no hydrogen 2.889 N/A TYR 253.A N SER 249.A OG no hydrogen 3.030 N/A PHE 255.A N ARG 247.A O no hydrogen 2.775 N/A ARG 258.A N THR 234.A O no hydrogen 3.128 N/A ARG 258.A NE ASP 81.A OD1 no hydrogen 2.697 N/A ARG 258.A NH2 ALA 1.A O no hydrogen 3.081 N/A ARG 258.A NH2 ASP 81.A OD1 no hydrogen 3.461 N/A ARG 258.A NH2 ASP 81.A OD2 no hydrogen 2.956 N/A