Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2j3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG THR 4.A OG1 no hydrogen 3.400 N/A CYS 2.A SG GLY 5.A O no hydrogen 3.767 N/A ARG 7.A N ASP 11.A OD2 no hydrogen 3.018 N/A CYS 9.A SG TRP 46.A O no hydrogen 3.782 N/A CYS 9.A SG THR 47.A OG1 no hydrogen 3.213 N/A LYS 10.A NZ ASP 14.A OD1 no hydrogen 2.602 N/A LYS 10.A NZ ASP 14.A OD2 no hydrogen 3.328 N/A ASP 11.A N THR 8.A OG1 no hydrogen 2.894 N/A LEU 12.A N THR 8.A O no hydrogen 3.247 N/A LEU 13.A N CYS 9.A O no hydrogen 2.898 N/A ASP 14.A N LYS 10.A O no hydrogen 3.019 N/A ARG 15.A N LEU 12.A O no hydrogen 3.047 N/A GLY 16.A N LEU 13.A O no hydrogen 2.889 N/A HIS 17.A N LEU 12.A O no hydrogen 3.172 N/A HIS 17.A ND1 LEU 12.A O no hydrogen 3.159 N/A GLY 21.A N CYS 37.A O no hydrogen 3.043 N/A TRP 22.A NE1 ARG 73.A O no hydrogen 3.047 N/A HIS 23.A N VAL 35.A O no hydrogen 2.862 N/A HIS 23.A ND1 GLY 21.A O no hydrogen 2.888 N/A ILE 25.A N LEU 33.A O no hydrogen 2.926 N/A TYR 26.A N PRO 6.A O no hydrogen 2.644 N/A LEU 27.A N ARG 31.A O no hydrogen 2.696 N/A CYS 30.A SG CYS 30.A O no hydrogen 2.633 N/A ARG 31.A NH1 ASN 83.A OD1 no hydrogen 3.451 N/A ARG 31.A NH2 ASN 83.A OD1 no hydrogen 3.417 N/A LEU 33.A N ILE 25.A O no hydrogen 2.961 N/A VAL 35.A N HIS 23.A O no hydrogen 2.723 N/A CYS 37.A N GLY 21.A O no hydrogen 3.034 N/A CYS 37.A SG HIS 23.A ND1 no hydrogen 3.762 N/A ASP 38.A N TRP 46.A O no hydrogen 2.679 N/A MET 39.A N SER 20.A OG no hydrogen 2.776 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 3.023 N/A THR 41.A N ASP 38.A OD1 no hydrogen 3.093 N/A THR 41.A OG1 ASP 38.A OD1 no hydrogen 3.429 N/A THR 41.A OG1 ASP 38.A OD2 no hydrogen 2.730 N/A GLY 44.A N THR 41.A O no hydrogen 2.711 N/A TRP 46.A N ASP 38.A O no hydrogen 3.069 N/A TRP 46.A NE1 THR 41.A O no hydrogen 3.012 N/A THR 47.A N VAL 214.A O no hydrogen 2.833 N/A VAL 48.A N LEU 36.A O no hydrogen 2.812 N/A PHE 49.A N MET 212.A O no hydrogen 2.771 N/A GLN 50.A N.A MET 212.A O no hydrogen 3.221 N/A GLN 50.A N.B MET 212.A O no hydrogen 3.238 N/A GLN 50.A NE2.A LEU 179.A O no hydrogen 3.112 N/A GLN 50.A NE2.A SER 210.A OG no hydrogen 3.219 N/A GLN 50.A NE2.B ASN 180.A OD1 no hydrogen 3.270 N/A ARG 51.A N PHE 77.A O no hydrogen 3.033 N/A ARG 51.A NE GLU 211.A OE2 no hydrogen 2.684 N/A ARG 51.A NH1 GLY 75.A O no hydrogen 3.412 N/A ARG 52.A N SER 210.A O no hydrogen 2.726 N/A ARG 52.A NH1 LEU 179.A O no hydrogen 2.818 N/A ARG 52.A NH1 GLY 181.A O no hydrogen 2.892 N/A ARG 52.A NH2 GLY 181.A O no hydrogen 2.866 N/A VAL 53.A N GLU 76.A OE2 no hydrogen 2.998 N/A ASP 54.A N GLU 76.A OE2 no hydrogen 3.086 N/A GLY 55.A N GLU 76.A OE2 no hydrogen 2.578 N/A SER 56.A N ASP 54.A OD1 no hydrogen 2.949 N/A SER 56.A OG ASP 54.A OD1 no hydrogen 2.659 N/A VAL 57.A N GLU 76.A OE1 no hydrogen 3.000 N/A TYR 60.A N ASP 58.A OD1 no hydrogen 2.947 N/A ARG 61.A NE ASP 58.A O no hydrogen 2.616 N/A TRP 63.A N ASP 151.A OD1 no hydrogen 2.923 N/A TRP 63.A N ASP 151.A OD2 no hydrogen 3.266 N/A TRP 63.A NE1 GLU 119.A OE2 no hydrogen 2.912 N/A THR 65.A N ASP 62.A OD1 no hydrogen 2.973 N/A THR 65.A OG1 ASP 62.A OD1 no hydrogen 2.718 N/A TYR 66.A N ASP 62.A O no hydrogen 3.255 N/A TYR 66.A OH PHE 59.A O no hydrogen 2.513 N/A LYS 67.A N TRP 63.A O no hydrogen 2.979 N/A LYS 67.A NZ ASP 82.A OD2 no hydrogen 2.900 N/A LYS 67.A NZ GLU 119.A OE1 no hydrogen 2.660 N/A GLN 68.A N ALA 64.A O no hydrogen 3.333 N/A GLY 69.A N THR 65.A O no hydrogen 2.857 N/A PHE 70.A N TRP 78.A O no hydrogen 2.853 N/A SER 72.A N GLU 76.A O no hydrogen 2.811 N/A LEU 74.A N SER 72.A OG no hydrogen 3.110 N/A GLY 75.A N SER 72.A O no hydrogen 3.215 N/A PHE 77.A N ARG 51.A O no hydrogen 3.138 N/A TRP 78.A N PHE 70.A O no hydrogen 2.816 N/A TRP 78.A NE1 ASN 81.A OD1 no hydrogen 3.024 N/A LEU 79.A N PHE 49.A O no hydrogen 2.922 N/A ASN 81.A N TYR 66.A O no hydrogen 2.827 N/A ASP 82.A N LYS 67.A O no hydrogen 3.051 N/A ASN 83.A ND2 LEU 79.A O no hydrogen 2.680 N/A ILE 84.A N GLY 80.A O no hydrogen 2.832 N/A HIS 85.A N ASN 81.A O no hydrogen 3.060 N/A ALA 86.A N ASP 82.A O no hydrogen 3.166 N/A LEU 87.A N ASN 83.A O no hydrogen 2.935 N/A THR 88.A N HIS 85.A O no hydrogen 3.108 N/A THR 88.A OG1 ILE 84.A O no hydrogen 2.776 N/A ALA 89.A N HIS 85.A O no hydrogen 2.915 N/A GLU 94.A N ARG 215.A O no hydrogen 2.804 N/A LEU 95.A N TYR 111.A O no hydrogen 3.204 N/A ARG 96.A N LYS 213.A O no hydrogen 2.884 N/A THR 97.A N ALA 109.A O no hydrogen 2.833 N/A ASP 98.A N GLU 211.A O no hydrogen 2.843 N/A LEU 99.A N GLN 107.A O no hydrogen 2.834 N/A VAL 100.A N VAL 209.A O no hydrogen 3.142 N/A ASP 101.A N ASN 105.A O no hydrogen 3.179 N/A PHE 102.A N TYR 205.A OH no hydrogen 2.858 N/A GLU 103.A N ASP 101.A OD1 no hydrogen 3.075 N/A ASP 104.A N ASP 101.A O no hydrogen 3.062 N/A ASN 105.A N ASP 101.A OD1 no hydrogen 2.572 N/A ASN 105.A ND2 ASP 101.A OD2 no hydrogen 2.922 N/A GLN 107.A N LEU 99.A O no hydrogen 2.826 N/A GLN 107.A NE2 SER 134.A O no hydrogen 3.522 N/A ALA 109.A N THR 97.A O no hydrogen 2.809 N/A LYS 110.A N GLU 132.A O no hydrogen 2.824 N/A LYS 110.A NZ ASP 42.A OD2 no hydrogen 2.643 N/A LYS 110.A NZ GLU 132.A OE1 no hydrogen 3.142 N/A TYR 111.A N LEU 95.A O no hydrogen 2.741 N/A TYR 111.A OH ASP 137.A OD1 no hydrogen 2.593 N/A ARG 112.A N.A ALA 129.A O no hydrogen 2.948 N/A ARG 112.A N.B ALA 129.A O no hydrogen 2.937 N/A LYS 115.A N VAL 126.A O no hydrogen 3.180 N/A LYS 115.A NZ GLN 90.A OE1 no hydrogen 3.323 N/A ALA 117.A N ASN 124.A O no hydrogen 3.289 N/A LYS 122.A N GLU 119.A O no hydrogen 2.635 N/A TYR 123.A N ASP 118.A O no hydrogen 3.157 N/A TYR 123.A OH ASP 82.A OD1 no hydrogen 2.845 N/A ASN 124.A N GLU 121.A O no hydrogen 2.809 N/A LEU 125.A N GLN 145.A O no hydrogen 2.942 N/A VAL 126.A N LYS 115.A O no hydrogen 2.857 N/A GLY 128.A N SER 113.A O no hydrogen 3.171 N/A VAL 131.A N LYS 110.A O no hydrogen 2.933 N/A GLY 136.A N GLY 133.A O no hydrogen 2.788 N/A SER 138.A OG SER 199.A OG no hydrogen 2.583 N/A LEU 139.A N ASP 137.A OD1 no hydrogen 2.816 N/A THR 140.A N ASP 137.A OD1 no hydrogen 2.907 N/A THR 140.A OG1 ASP 137.A OD2 no hydrogen 2.639 N/A HIS 142.A N LEU 139.A O no hydrogen 2.906 N/A HIS 142.A ND1 TRP 170.A O no hydrogen 2.545 N/A ASN 143.A N THR 140.A O no hydrogen 2.925 N/A ASN 143.A ND2 LEU 125.A O no hydrogen 3.461 N/A ASN 144.A N LEU 125.A O no hydrogen 2.753 N/A GLN 145.A NE2 PHE 141.A O.B no hydrogen 2.856 N/A PHE 147.A N LYS 122.A O no hydrogen 3.119 N/A SER 148.A N TRP 169.A O no hydrogen 2.803 N/A SER 148.A OG TRP 169.A O no hydrogen 3.151 N/A THR 149.A N GLN 152.A O no hydrogen 3.404 N/A THR 149.A OG1 ASP 151.A OD1 no hydrogen 2.649 N/A LYS 150.A NZ TYR 60.A O no hydrogen 3.109 N/A ASP 151.A N ASP 151.A OD1 no hydrogen 2.516 N/A GLN 152.A NE2 ASP 151.A O no hydrogen 2.904 N/A ASN 154.A ND2 PHE 147.A O no hydrogen 3.390 N/A ASP 155.A N ASP 153.A OD1 no hydrogen 3.336 N/A LEU 156.A N LYS 172.A O no hydrogen 2.674 N/A ASN 160.A ND2 LYS 150.A O no hydrogen 3.337 N/A CYS 161.A N ASP 155.A OD2 no hydrogen 3.025 N/A CYS 161.A SG ASP 155.A OD2 no hydrogen 3.560 N/A CYS 161.A SG LYS 172.A O no hydrogen 3.980 N/A ALA 162.A N ASN 160.A OD1 no hydrogen 3.162 N/A MET 164.A N ASN 160.A O no hydrogen 2.771 N/A PHE 165.A N CYS 161.A O no hydrogen 2.621 N/A GLY 167.A N ALA 162.A O no hydrogen 2.936 N/A TRP 169.A N SER 148.A O no hydrogen 3.177 N/A TRP 170.A NE1 TYR 123.A O no hydrogen 3.147 N/A TYR 171.A OH ASN 178.A OD1 no hydrogen 2.655 N/A LYS 172.A N CYS 174.A O no hydrogen 2.612 N/A CYS 174.A SG ASN 157.A OD1 no hydrogen 3.654 N/A THR 176.A N HIS 142.A NE2 no hydrogen 2.968 N/A THR 176.A OG1 SER 138.A O no hydrogen 3.187 N/A SER 177.A OG SER 138.A O no hydrogen 2.734 N/A ASN 178.A N ASN 196.A O no hydrogen 2.909 N/A ASN 178.A ND2 PHE 165.A O no hydrogen 3.106 N/A ASN 178.A ND2 ALA 192.A O no hydrogen 3.282 N/A ASN 178.A ND2 GLY 194.A O no hydrogen 3.006 N/A ASN 180.A ND2 ALA 168.A O no hydrogen 3.052 N/A GLY 181.A N ASN 178.A O no hydrogen 2.784 N/A ARG 182.A N ASN 193.A O no hydrogen 3.167 N/A ARG 182.A NH1 GLN 166.A OE1 no hydrogen 3.507 N/A TYR 183.A OH LYS 208.A O no hydrogen 2.634 N/A LEU 184.A N SER 206.A OG no hydrogen 3.153 N/A ARG 185.A NH2 ASP 54.A O no hydrogen 3.467 N/A GLY 186.A N SER 206.A O no hydrogen 2.911 N/A HIS 188.A N ASN 204.A O no hydrogen 2.816 N/A HIS 188.A ND1 SER 190.A O no hydrogen 2.641 N/A SER 190.A OG HIS 188.A ND1 no hydrogen 3.234 N/A SER 190.A OG ASN 193.A OD1 no hydrogen 2.525 N/A ALA 192.A N TYR 203.A O no hydrogen 2.786 N/A ILE 195.A N ARG 182.A O no hydrogen 3.285 N/A TRP 197.A NE1 GLY 136.A O no hydrogen 2.739 N/A LYS 198.A N THR 176.A O no hydrogen 3.233 N/A SER 199.A N SER 138.A OG no hydrogen 3.121 N/A SER 199.A OG ALA 135.A O no hydrogen 2.720 N/A SER 199.A OG SER 138.A OG no hydrogen 2.583 N/A GLY 200.A N TRP 197.A O no hydrogen 2.712 N/A LYS 201.A N TRP 197.A O no hydrogen 2.911 N/A LYS 201.A NZ GLN 107.A OE1 no hydrogen 3.025 N/A GLY 202.A N TRP 197.A O no hydrogen 3.224 N/A SER 206.A N GLY 186.A O no hydrogen 2.694 N/A TYR 207.A N ILE 195.A O no hydrogen 3.354 N/A TYR 207.A OH GLN 107.A OE1 no hydrogen 2.462 N/A LYS 208.A N VAL 100.A O no hydrogen 2.895 N/A LYS 208.A NZ ASP 104.A OD1 no hydrogen 3.039 N/A VAL 209.A N VAL 100.A O no hydrogen 3.086 N/A SER 210.A N ARG 52.A O no hydrogen 2.888 N/A SER 210.A OG GLN 50.A OE1.B no hydrogen 3.099 N/A GLU 211.A N ASP 98.A O no hydrogen 2.959 N/A MET 212.A N GLN 50.A O.A no hydrogen 3.152 N/A MET 212.A N GLN 50.A O.B no hydrogen 2.941 N/A LYS 213.A N ARG 96.A O no hydrogen 3.019 N/A LYS 213.A NZ ASP 38.A OD2 no hydrogen 2.844 N/A LYS 213.A NZ ASP 98.A OD2 no hydrogen 2.757 N/A LYS 213.A NZ GLU 211.A OE1 no hydrogen 2.824 N/A VAL 214.A N THR 47.A O no hydrogen 2.919 N/A ARG 215.A N GLU 94.A O no hydrogen 3.042 N/A ARG 215.A NE GLU 94.A OE1 no hydrogen 3.389 N/A ARG 215.A NH1 ASP 42.A O no hydrogen 2.533 N/A ARG 215.A NH1 GLY 44.A O no hydrogen 2.966 N/A ARG 215.A NH2 ASP 42.A O no hydrogen 3.270 N/A ALA 217.A N THR 92.A O no hydrogen 3.238 N/A