Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ini_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 GLN 97.A OE1 no hydrogen 3.188 N/A HIS 2.A NE2 GLU 122.A OE2 no hydrogen 2.977 N/A ASP 4.A N THR 1.A O no hydrogen 3.119 N/A VAL 5.A N ARG 47.A O no hydrogen 2.909 N/A CYS 6.A N TRP 98.A O no hydrogen 3.225 N/A CYS 6.A SG ALA 7.A O no hydrogen 3.764 N/A CYS 6.A SG ARG 50.A O no hydrogen 3.973 N/A CYS 6.A SG ALA 93.A O no hydrogen 3.326 N/A ALA 7.A N ARG 50.A O no hydrogen 2.785 N/A VAL 8.A N LEU 100.A O no hydrogen 2.705 N/A VAL 9.A N VAL 52.A O no hydrogen 2.745 N/A ALA 11.A N ALA 54.A O no hydrogen 2.808 N/A MET 18.A N GLY 15.A O no hydrogen 3.068 N/A THR 20.A N MET 18.A O no hydrogen 2.606 N/A THR 20.A OG1 CYS 22.A O no hydrogen 3.058 N/A CYS 22.A SG PRO 23.A O no hydrogen 3.492 N/A GLN 25.A N GLN 25.A OE1 no hydrogen 2.610 N/A GLN 25.A NE2 ALA 11.A O no hydrogen 3.003 N/A GLN 25.A NE2 GLY 13.A O no hydrogen 3.265 N/A TYR 26.A N PRO 23.A O no hydrogen 3.004 N/A TYR 26.A OH ASP 59.A OD2 no hydrogen 2.440 N/A LEU 27.A N LYS 24.A O no hydrogen 3.143 N/A ILE 29.A N GLN 32.A O no hydrogen 2.859 N/A GLN 32.A N ILE 29.A O no hydrogen 3.398 N/A THR 33.A N GLU 36.A OE2 no hydrogen 2.922 N/A THR 33.A OG1 GLU 36.A OE2 no hydrogen 2.637 N/A ILE 34.A N LEU 27.A O no hydrogen 2.986 N/A LEU 35.A N GLN 25.A O no hydrogen 2.865 N/A GLU 36.A N THR 33.A OG1 no hydrogen 3.185 N/A HIS 37.A N THR 33.A O no hydrogen 3.010 N/A HIS 37.A NE2 ILE 29.A O no hydrogen 2.695 N/A SER 38.A N ILE 34.A O no hydrogen 2.980 N/A SER 38.A OG ILE 34.A O no hydrogen 3.279 N/A SER 38.A OG ALA 104.A O no hydrogen 2.499 N/A VAL 39.A N LEU 35.A O no hydrogen 2.926 N/A HIS 40.A N GLU 36.A O no hydrogen 2.842 N/A ALA 41.A N HIS 37.A O no hydrogen 3.140 N/A ALA 41.A N SER 38.A O no hydrogen 3.262 N/A LEU 42.A N SER 38.A O no hydrogen 3.449 N/A LEU 43.A N VAL 39.A O no hydrogen 2.966 N/A ALA 44.A N HIS 40.A O no hydrogen 2.957 N/A HIS 45.A N LEU 42.A O no hydrogen 3.214 N/A ARG 47.A NE LEU 3.A O no hydrogen 2.741 N/A ARG 47.A NH1 LEU 118.A O no hydrogen 3.004 N/A ARG 47.A NH1 SER 121.A OG no hydrogen 3.214 N/A ARG 47.A NH2 LEU 3.A O no hydrogen 3.367 N/A ARG 47.A NH2 SER 121.A OG no hydrogen 3.026 N/A VAL 48.A N HIS 45.A O no hydrogen 3.089 N/A LYS 49.A N VAL 5.A O no hydrogen 3.056 N/A LYS 49.A NZ PRO 46.A O no hydrogen 2.498 N/A ARG 50.A NE THR 74.A OG1 no hydrogen 3.060 N/A ARG 50.A NH1 ALA 92.A O no hydrogen 2.921 N/A ARG 50.A NH2 THR 74.A OG1 no hydrogen 3.375 N/A ARG 50.A NH2 ALA 92.A O no hydrogen 2.623 N/A VAL 51.A N GLN 72.A O no hydrogen 2.888 N/A VAL 52.A N ALA 7.A O no hydrogen 2.654 N/A ILE 53.A N THR 74.A O no hydrogen 2.828 N/A ALA 54.A N VAL 9.A O no hydrogen 3.033 N/A ILE 55.A N VAL 76.A O no hydrogen 2.945 N/A GLY 58.A N SER 56.A OG no hydrogen 3.231 N/A ASP 59.A N SER 56.A O no hydrogen 2.751 N/A ARG 61.A N ASP 59.A OD1 no hydrogen 2.973 N/A PHE 62.A N ASP 59.A OD1 no hydrogen 3.048 N/A GLN 64.A N ARG 61.A O no hydrogen 3.073 N/A LEU 65.A N PHE 62.A O no hydrogen 2.881 N/A ALA 68.A N LEU 65.A O no hydrogen 3.030 N/A ASN 69.A N PRO 66.A O no hydrogen 3.420 N/A HIS 70.A N LEU 67.A O no hydrogen 3.082 N/A HIS 70.A NE2 GLN 72.A OE1 no hydrogen 3.329 N/A GLN 72.A NE2 LYS 49.A O no hydrogen 2.989 N/A ILE 73.A N HIS 70.A O no hydrogen 3.013 N/A THR 74.A N VAL 51.A O no hydrogen 2.947 N/A VAL 76.A N ILE 53.A O no hydrogen 2.979 N/A GLY 78.A N ILE 55.A O no hydrogen 2.604 N/A GLY 79.A N SER 85.A OG no hydrogen 2.910 N/A GLU 81.A N ASP 84.A OD2 no hydrogen 2.828 N/A ARG 82.A NE ASP 103.A OD1 no hydrogen 2.737 N/A ARG 82.A NH1 GLU 188.A OE1 no hydrogen 3.276 N/A ARG 82.A NH1 GLU 188.A OE2 no hydrogen 2.623 N/A ARG 82.A NH2 ASP 103.A OD1 no hydrogen 2.867 N/A ARG 82.A NH2 GLU 188.A OE1 no hydrogen 3.052 N/A ASP 84.A N GLU 81.A O no hydrogen 3.006 N/A SER 85.A N GLU 81.A O no hydrogen 3.121 N/A SER 85.A OG GLU 81.A O no hydrogen 3.439 N/A VAL 86.A N ARG 82.A O no hydrogen 2.877 N/A LEU 87.A N ALA 83.A O no hydrogen 3.047 N/A ALA 88.A N ASP 84.A O no hydrogen 3.071 N/A GLY 89.A N SER 85.A O no hydrogen 3.059 N/A LEU 90.A N VAL 86.A O no hydrogen 2.948 N/A LYS 91.A N LEU 87.A O no hydrogen 3.129 N/A ALA 92.A N GLY 89.A O no hydrogen 3.117 N/A ALA 93.A N LEU 90.A O no hydrogen 3.079 N/A VAL 99.A N PHE 166.A O no hydrogen 2.813 N/A LEU 100.A N CYS 6.A O no hydrogen 2.934 N/A VAL 101.A N GLN 164.A O no hydrogen 2.891 N/A HIS 102.A N VAL 8.A O no hydrogen 3.008 N/A HIS 102.A NE2 ARG 106.A O no hydrogen 2.888 N/A ASP 103.A N THR 162.A OG1 no hydrogen 3.080 N/A ALA 104.A N PRO 10.A O no hydrogen 3.390 N/A ARG 106.A N ASP 103.A O no hydrogen 3.273 N/A ARG 106.A NE ASP 103.A OD2 no hydrogen 3.143 N/A ARG 106.A NH1 ASN 208.A O no hydrogen 2.870 N/A CYS 108.A SG ALA 220.A O no hydrogen 3.876 N/A GLN 111.A NE2 ALA 41.A O no hydrogen 2.770 N/A ASP 113.A N ASP 112.A OD1 no hydrogen 2.634 N/A LEU 114.A N HIS 110.A O no hydrogen 3.165 N/A ALA 115.A N GLN 111.A O no hydrogen 2.849 N/A ARG 116.A N ASP 112.A O no hydrogen 3.036 N/A ARG 116.A NH1 GLU 203.A O no hydrogen 2.846 N/A ARG 116.A NH2 ASP 113.A OD1 no hydrogen 2.722 N/A ARG 116.A NH2 GLU 203.A O no hydrogen 2.576 N/A LEU 117.A N ASP 113.A O no hydrogen 3.071 N/A LEU 118.A N LEU 114.A O no hydrogen 2.948 N/A ALA 119.A N ALA 115.A O no hydrogen 3.181 N/A LEU 120.A N LEU 117.A O no hydrogen 3.105 N/A SER 121.A N LEU 118.A O no hydrogen 3.332 N/A SER 121.A OG LEU 118.A O no hydrogen 3.231 N/A SER 121.A OG GLU 122.A OE1 no hydrogen 2.642 N/A GLU 122.A N ALA 119.A O no hydrogen 2.915 N/A THR 123.A N LEU 120.A O no hydrogen 3.054 N/A THR 126.A N SER 124.A OG no hydrogen 3.047 N/A GLY 127.A N SER 124.A OG no hydrogen 2.770 N/A GLY 128.A N PHE 165.A O no hydrogen 3.041 N/A ILE 129.A N GLN 200.A O no hydrogen 2.926 N/A LEU 130.A N PRO 163.A O no hydrogen 3.340 N/A ALA 131.A N VAL 202.A O no hydrogen 2.818 N/A ALA 132.A N HIS 159.A O no hydrogen 2.971 N/A VAL 134.A N LEU 157.A O no hydrogen 3.069 N/A LYS 139.A NZ THR 151.A OG1 no hydrogen 2.684 N/A ARG 140.A N HIS 150.A O no hydrogen 2.982 N/A GLU 142.A N ALA 147.A O no hydrogen 2.991 N/A LYS 145.A N GLU 142.A O no hydrogen 3.109 N/A ASN 146.A ND2 LYS 145.A O no hydrogen 3.658 N/A ALA 149.A N ARG 140.A O no hydrogen 2.779 N/A VAL 152.A N MET 138.A O no hydrogen 2.857 N/A ARG 154.A NH1 ARG 135.A O no hydrogen 2.869 N/A ASN 155.A N ASP 153.A OD1 no hydrogen 2.965 N/A LEU 157.A N ARG 154.A O no hydrogen 3.229 N/A HIS 159.A N ALA 132.A O no hydrogen 2.741 N/A LEU 161.A N LEU 130.A O no hydrogen 2.998 N/A THR 162.A OG1 HIS 102.A ND1 no hydrogen 2.783 N/A GLN 164.A N VAL 101.A O no hydrogen 2.974 N/A GLN 164.A NE2 LEU 161.A O no hydrogen 3.004 N/A GLN 164.A NE2 ASP 187.A OD2 no hydrogen 2.904 N/A PHE 165.A N GLY 128.A O no hydrogen 2.917 N/A PHE 166.A N VAL 99.A O no hydrogen 3.033 N/A ARG 168.A N GLN 97.A O no hydrogen 2.866 N/A ARG 168.A NH1 ALA 96.A O no hydrogen 3.120 N/A LEU 171.A N PRO 167.A O no hydrogen 3.049 N/A HIS 172.A N ARG 168.A O no hydrogen 2.892 N/A HIS 172.A ND1 ASP 173.A OD1 no hydrogen 2.958 N/A ASP 173.A N GLU 169.A O no hydrogen 2.810 N/A CYS 174.A N LEU 170.A O no hydrogen 2.866 N/A CYS 174.A SG LEU 170.A O no hydrogen 3.219 N/A LEU 175.A N LEU 171.A O no hydrogen 2.889 N/A THR 176.A N HIS 172.A O no hydrogen 3.024 N/A THR 176.A OG1 HIS 172.A O no hydrogen 2.841 N/A ARG 177.A N ASP 173.A O no hydrogen 2.944 N/A ALA 178.A N CYS 174.A O no hydrogen 2.916 N/A LEU 179.A N LEU 175.A O no hydrogen 2.936 N/A ASN 180.A N THR 176.A O no hydrogen 2.895 N/A GLU 181.A N ARG 177.A O no hydrogen 2.912 N/A GLY 182.A N LEU 179.A O no hydrogen 3.076 N/A ALA 183.A N ALA 178.A O no hydrogen 2.940 N/A ALA 189.A N GLN 164.A OE1 no hydrogen 2.898 N/A SER 190.A N ASP 187.A OD1 no hydrogen 2.839 N/A SER 190.A OG ASP 187.A OD1 no hydrogen 2.709 N/A ALA 191.A N GLU 188.A O no hydrogen 3.033 N/A LEU 192.A N GLU 188.A O no hydrogen 3.378 N/A GLU 193.A N ALA 189.A O no hydrogen 2.901 N/A TYR 194.A N SER 190.A O no hydrogen 3.002 N/A TYR 194.A OH GLU 181.A OE1 no hydrogen 2.536 N/A CYS 195.A N ALA 191.A O no hydrogen 3.294 N/A CYS 195.A N LEU 192.A O no hydrogen 3.107 N/A CYS 195.A SG CYS 174.A O no hydrogen 4.024 N/A CYS 195.A SG ALA 191.A O no hydrogen 3.688 N/A GLY 196.A N GLU 193.A O no hydrogen 2.941 N/A PHE 197.A N LEU 192.A O no hydrogen 2.981 N/A GLN 200.A N GLY 127.A O no hydrogen 2.936 N/A VAL 202.A N ILE 129.A O no hydrogen 2.798 N/A GLY 204.A N ALA 131.A O no hydrogen 2.927 N/A ARG 205.A N ASP 113.A OD2 no hydrogen 2.714 N/A ARG 205.A NE ASP 207.A OD1 no hydrogen 2.693 N/A ARG 205.A NE ASP 207.A OD2 no hydrogen 3.528 N/A ARG 205.A NH2 ASP 207.A OD2 no hydrogen 3.513 N/A ASN 208.A N ARG 205.A O no hydrogen 3.355 N/A ASN 208.A ND2 THR 162.A O no hydrogen 2.936 N/A VAL 211.A N ALA 105.A O no hydrogen 2.816 N/A THR 212.A N ASP 216.A OD2 no hydrogen 2.806 N/A ARG 213.A N ASP 216.A OD2 no hydrogen 2.539 N/A ASP 216.A N ARG 213.A O no hydrogen 3.000 N/A LEU 217.A N PRO 214.A O no hydrogen 3.293 N/A LEU 219.A N GLU 215.A O no hydrogen 3.327 N/A ALA 220.A N ASP 216.A O no hydrogen 2.809 N/A GLU 221.A N LEU 217.A O no hydrogen 2.977 N/A PHE 222.A N ALA 218.A O no hydrogen 3.036 N/A TYR 223.A N LEU 219.A O no hydrogen 3.061 N/A LEU 224.A N ALA 220.A O no hydrogen 3.032 N/A THR 225.A N PHE 222.A O no hydrogen 2.998 N/A THR 225.A OG1 GLU 221.A O no hydrogen 2.526 N/A