Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r2j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG ALA 195.A O no hydrogen 3.406 N/A VAL 4.A N ALA 195.A O no hydrogen 2.813 N/A THR 5.A OG1 ALA 198.A O no hydrogen 2.804 N/A VAL 6.A N VAL 197.A O no hydrogen 2.779 N/A SER 7.A N ASP 11.A OD2 no hydrogen 2.853 N/A SER 7.A OG THR 10.A OG1 no hydrogen 2.985 N/A SER 8.A OG GLU 199.A OE2 no hydrogen 3.498 N/A THR 9.A N SER 7.A OG no hydrogen 2.978 N/A THR 9.A OG1 SER 7.A OG no hydrogen 2.769 N/A THR 10.A N SER 7.A OG no hydrogen 3.101 N/A THR 10.A OG1 SER 7.A OG no hydrogen 2.985 N/A THR 10.A OG1 ASP 11.A OD1 no hydrogen 3.517 N/A ASP 11.A N SER 7.A O no hydrogen 3.340 N/A VAL 12.A N ARG 135.A O no hydrogen 3.163 N/A LEU 13.A N TYR 52.A O no hydrogen 2.979 N/A ILE 14.A N PHE 137.A O no hydrogen 2.790 N/A ILE 15.A N VAL 54.A O no hydrogen 2.776 N/A ALA 16.A N CYS 139.A O no hydrogen 2.700 N/A ASP 17.A N THR 56.A OG1 no hydrogen 2.945 N/A GLN 19.A NE2 ASP 58.A O no hydrogen 2.727 N/A GLN 19.A NE2 ALA 85.A O no hydrogen 2.725 N/A VAL 20.A N GLN 86.A O no hydrogen 2.760 N/A ASP 21.A N GLY 84.A O no hydrogen 3.045 N/A PHE 22.A N GLN 19.A O no hydrogen 3.316 N/A LEU 23.A N VAL 20.A O no hydrogen 3.386 N/A ALA 24.A N VAL 20.A O no hydrogen 2.815 N/A GLY 27.A N ALA 24.A O no hydrogen 3.011 N/A SER 28.A N ASP 21.A OD1 no hydrogen 2.860 N/A SER 28.A OG PRO 76.A O no hydrogen 2.841 N/A LEU 29.A N ASP 21.A O no hydrogen 3.215 N/A VAL 31.A N PHE 22.A O no hydrogen 2.761 N/A GLY 34.A N VAL 31.A O no hydrogen 2.986 N/A LEU 37.A N GLY 34.A O no hydrogen 3.265 N/A LEU 38.A N GLU 35.A O no hydrogen 3.009 N/A ILE 41.A N LEU 37.A O no hydrogen 3.230 N/A ASN 42.A N LEU 38.A O no hydrogen 3.158 N/A ASN 42.A ND2 GLY 90.A O no hydrogen 3.002 N/A ALA 43.A N ASP 39.A O no hydrogen 3.123 N/A VAL 44.A N GLY 40.A O no hydrogen 2.889 N/A SER 45.A N ILE 41.A O no hydrogen 2.720 N/A SER 45.A OG GLN 53.A OE1 no hydrogen 2.765 N/A SER 46.A N ASN 42.A O no hydrogen 3.017 N/A SER 46.A OG ASN 42.A O no hydrogen 3.116 N/A GLN 47.A N ALA 43.A O no hydrogen 2.792 N/A ARG 51.A N ASP 11.A O no hydrogen 2.896 N/A ARG 51.A NH1 ARG 51.A O no hydrogen 3.347 N/A GLN 53.A N ASN 97.A OD1 no hydrogen 2.702 N/A GLN 53.A NE2 SER 45.A O no hydrogen 3.087 N/A VAL 54.A N LEU 13.A O no hydrogen 2.772 N/A ALA 55.A N ALA 98.A O no hydrogen 3.032 N/A THR 56.A N ILE 15.A O no hydrogen 3.103 N/A THR 56.A OG1 ILE 15.A O no hydrogen 3.556 N/A THR 56.A OG1 ASP 17.A OD1 no hydrogen 2.816 N/A GLN 57.A N ILE 100.A O no hydrogen 2.776 N/A GLN 57.A NE2 ALA 85.A O no hydrogen 2.791 N/A ASP 58.A N GLN 19.A OE1 no hydrogen 2.869 N/A TRP 59.A N LYS 102.A O no hydrogen 2.914 N/A HIS 60.A N CYS 78.A O no hydrogen 2.810 N/A HIS 60.A ND1 GLY 103.A O no hydrogen 2.889 N/A HIS 64.A ND1 SER 66.A OG no hydrogen 3.174 N/A HIS 64.A NE2 ALA 108.A O no hydrogen 3.095 N/A CYS 65.A N GLN 106.A O no hydrogen 3.118 N/A SER 66.A N HIS 64.A ND1 no hydrogen 3.300 N/A SER 66.A OG HIS 64.A ND1 no hydrogen 3.174 N/A PHE 67.A N HIS 64.A O no hydrogen 3.154 N/A VAL 68.A N TRP 74.A O no hydrogen 2.650 N/A THR 69.A OG1 HIS 70.A ND1 no hydrogen 2.943 N/A HIS 70.A N PHE 67.A O no hydrogen 3.035 N/A HIS 70.A ND1 THR 69.A OG1 no hydrogen 2.943 N/A GLY 71.A N VAL 68.A O no hydrogen 3.153 N/A GLY 72.A N PHE 67.A O no hydrogen 2.763 N/A TRP 74.A N SER 66.A O no hydrogen 3.091 N/A TRP 74.A NE1 TYR 111.A OH no hydrogen 2.845 N/A HIS 77.A ND1 PRO 75.A O no hydrogen 2.895 N/A HIS 77.A NE2 ASP 58.A OD2 no hydrogen 2.832 N/A CYS 78.A N ASP 21.A OD2 no hydrogen 2.802 N/A GLN 80.A N HIS 60.A O no hydrogen 2.622 N/A GLN 80.A NE2 TRP 59.A O no hydrogen 3.074 N/A GLN 80.A NE2 VAL 104.A O no hydrogen 3.072 N/A SER 82.A OG VAL 79.A O no hydrogen 2.791 N/A ALA 85.A N SER 82.A O no hydrogen 2.988 N/A ALA 85.A N SER 82.A OG no hydrogen 3.238 N/A GLN 86.A N ALA 83.A O no hydrogen 3.293 N/A HIS 88.A N MET 18.A O no hydrogen 2.861 N/A HIS 88.A NE2 GLU 35.A OE2 no hydrogen 3.206 N/A GLY 90.A N HIS 88.A ND1 no hydrogen 2.856 N/A LEU 91.A N HIS 88.A O no hydrogen 3.115 N/A HIS 92.A N ASN 42.A OD1 no hydrogen 2.982 N/A ARG 95.A NH1 SER 45.A O no hydrogen 3.556 N/A ARG 95.A NH1 LEU 48.A O no hydrogen 2.842 N/A ILE 96.A N THR 93.A O no hydrogen 3.010 N/A ASN 97.A N GLN 53.A O no hydrogen 2.857 N/A ILE 100.A N ALA 55.A O no hydrogen 2.900 N/A ARG 101.A NH2 GLN 57.A OE1 no hydrogen 2.455 N/A LYS 102.A N GLN 57.A O no hydrogen 2.914 N/A LYS 102.A NZ ASP 58.A OD1 no hydrogen 3.348 N/A LYS 102.A NZ SER 110.A O no hydrogen 2.788 N/A LYS 102.A NZ TYR 111.A O no hydrogen 2.997 N/A GLY 103.A N GLU 116.A OE2 no hydrogen 3.316 N/A GLN 106.A NE2 ASN 63.A O no hydrogen 3.053 N/A SER 110.A N ASP 109.A OD2 no hydrogen 2.640 N/A SER 110.A OG SER 112.A O no hydrogen 2.791 N/A SER 110.A OG VAL 115.A O no hydrogen 2.888 N/A SER 112.A OG ASP 153.A OD2 no hydrogen 2.496 N/A ALA 113.A N THR 150.A OG1 no hydrogen 3.150 N/A PHE 114.A N SER 112.A OG no hydrogen 3.035 N/A GLU 116.A N VAL 120.A O no hydrogen 2.732 N/A ASP 117.A N ASP 109.A O no hydrogen 2.604 N/A GLY 119.A N GLU 116.A O no hydrogen 3.055 N/A THR 122.A N PHE 114.A O no hydrogen 2.897 N/A THR 122.A OG1 ALA 113.A O no hydrogen 2.545 N/A THR 122.A OG1 PHE 114.A O no hydrogen 3.101 N/A GLY 123.A N SER 121.A OG no hydrogen 3.176 N/A LEU 124.A N THR 122.A OG1 no hydrogen 3.190 N/A LEU 127.A N GLY 123.A O no hydrogen 3.048 N/A LEU 128.A N LEU 124.A O no hydrogen 2.897 N/A HIS 129.A N ALA 125.A O no hydrogen 2.935 N/A SER 130.A N GLY 126.A O no hydrogen 2.940 N/A ILE 131.A N LEU 127.A O no hydrogen 3.170 N/A GLY 132.A N HIS 129.A O no hydrogen 3.277 N/A ALA 133.A N LEU 128.A O no hydrogen 2.903 N/A ARG 134.A N THR 10.A O no hydrogen 2.921 N/A ARG 135.A NE ASP 11.A OD1 no hydrogen 2.860 N/A ARG 135.A NE ASP 11.A OD2 no hydrogen 3.367 N/A ARG 135.A NH2 ASP 11.A OD2 no hydrogen 3.240 N/A VAL 136.A N SER 160.A O no hydrogen 2.781 N/A PHE 137.A N VAL 12.A O no hydrogen 2.734 N/A VAL 138.A N VAL 162.A O no hydrogen 2.893 N/A CYS 139.A N ILE 14.A O no hydrogen 3.091 N/A CYS 139.A SG ILE 14.A O no hydrogen 3.619 N/A GLY 140.A N LEU 167.A O no hydrogen 2.721 N/A VAL 141.A N ALA 16.A O no hydrogen 2.770 N/A TYR 143.A N ALA 169.A O no hydrogen 3.148 N/A TYR 143.A OH THR 180.A OG1 no hydrogen 2.495 N/A ASP 144.A N ASP 144.A OD2 no hydrogen 2.632 N/A PHE 145.A N ALA 142.A O no hydrogen 2.845 N/A CYS 146.A SG ASP 17.A OD2 no hydrogen 3.705 N/A CYS 146.A SG TYR 111.A O no hydrogen 3.350 N/A VAL 147.A N ALA 142.A O no hydrogen 2.907 N/A PHE 149.A N PHE 145.A O no hydrogen 2.968 N/A THR 150.A N CYS 146.A O no hydrogen 3.000 N/A THR 150.A OG1 CYS 146.A O no hydrogen 2.897 N/A ALA 151.A N VAL 147.A O no hydrogen 3.084 N/A MET 152.A N PHE 148.A O no hydrogen 3.033 N/A ASP 153.A N PHE 149.A O no hydrogen 2.853 N/A ALA 154.A N THR 150.A O no hydrogen 2.723 N/A ARG 155.A N ALA 151.A O no hydrogen 3.056 N/A ARG 155.A NE ALA 186.A O no hydrogen 2.816 N/A ARG 155.A NH1 ALA 186.A O no hydrogen 3.544 N/A ARG 155.A NH2 PHE 159.A O no hydrogen 3.095 N/A LYS 156.A N MET 152.A O no hydrogen 2.983 N/A LYS 156.A NZ ASP 153.A OD1 no hydrogen 3.090 N/A ASN 157.A N ASP 153.A O no hydrogen 2.991 N/A ASN 157.A ND2 ASP 153.A O no hydrogen 3.337 N/A PHE 159.A N ALA 154.A O no hydrogen 2.905 N/A SER 160.A N ARG 134.A O no hydrogen 3.178 N/A VAL 162.A N VAL 136.A O no hydrogen 2.991 N/A LEU 163.A N VAL 189.A O no hydrogen 2.695 N/A LEU 164.A N VAL 138.A O no hydrogen 2.966 N/A GLU 165.A N LEU 191.A O no hydrogen 3.111 N/A LEU 167.A N LEU 164.A O no hydrogen 2.981 N/A THR 168.A OG1 LEU 164.A O no hydrogen 3.035 N/A THR 168.A OG1 GLU 165.A O no hydrogen 3.114 N/A VAL 171.A N ASP 144.A OD2 no hydrogen 2.983 N/A TRP 176.A N ASP 173.A O no hydrogen 3.281 N/A ALA 178.A N ALA 175.A O no hydrogen 2.921 N/A ARG 179.A N ALA 175.A O no hydrogen 3.217 N/A ARG 179.A NE ASP 144.A O no hydrogen 3.250 N/A THR 180.A N TRP 176.A O no hydrogen 3.216 N/A THR 180.A OG1 TYR 143.A OH no hydrogen 2.495 N/A THR 180.A OG1 TRP 176.A O no hydrogen 2.673 N/A GLU 182.A N ALA 178.A O no hydrogen 3.329 N/A LEU 183.A N ARG 179.A O no hydrogen 2.833 N/A LYS 184.A N THR 180.A O no hydrogen 2.654 N/A ASP 185.A N ALA 181.A O no hydrogen 3.330 N/A ALA 186.A N LEU 183.A O no hydrogen 3.080 N/A GLY 187.A N LYS 184.A O no hydrogen 3.286 N/A VAL 188.A N LEU 183.A O no hydrogen 3.159 N/A VAL 189.A N VAL 161.A O no hydrogen 2.923 N/A LEU 191.A N LEU 163.A O no hydrogen 3.078 N/A SER 193.A N ASP 166.A OD1 no hydrogen 3.184 N/A SER 193.A N ASP 166.A OD2 no hydrogen 3.185 N/A SER 193.A OG ASP 166.A OD1 no hydrogen 3.142 N/A SER 193.A OG ASP 166.A OD2 no hydrogen 2.835 N/A ALA 195.A N LYS 192.A O no hydrogen 2.847 N/A LEU 196.A N SER 193.A O no hydrogen 3.240 N/A VAL 197.A N VAL 4.A O no hydrogen 3.204 N/A