Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N SER 1.A OG no hydrogen 3.179 N/A HIS 5.A N SER 1.A O no hydrogen 3.017 N/A HIS 6.A N TYR 2.A O no hydrogen 2.799 N/A HIS 7.A N TYR 3.A O no hydrogen 2.978 N/A HIS 8.A N HIS 4.A O no hydrogen 2.927 N/A HIS 9.A N HIS 5.A O no hydrogen 2.999 N/A LEU 10.A N HIS 6.A O no hydrogen 2.887 N/A GLU 11.A N HIS 7.A O no hydrogen 2.868 N/A TYR 16.A N SER 13.A O no hydrogen 2.724 N/A ASP 17.A N ASP 14.A O no hydrogen 3.344 N/A ARG 21.A NH1 ARG 21.A O no hydrogen 2.916 N/A SER 24.A N ASP 22.A OD1 no hydrogen 2.823 N/A SER 24.A OG ASP 22.A OD1 no hydrogen 2.500 N/A SER 24.A OG ASP 22.A OD2 no hydrogen 3.119 N/A VAL 25.A N ASP 22.A O no hydrogen 3.086 N/A ARG 28.A N SER 26.A OG no hydrogen 3.208 N/A ARG 28.A NH1 SER 26.A OG no hydrogen 3.036 N/A ARG 32.A N PRO 29.A O no hydrogen 3.073 N/A GLN 33.A N GLY 183.A O no hydrogen 2.987 N/A GLN 33.A NE2 ASN 31.A O no hydrogen 3.054 N/A TRP 37.A N SER 34.A OG no hydrogen 3.080 N/A ILE 38.A N SER 34.A O no hydrogen 3.127 N/A ARG 39.A N ASP 35.A O no hydrogen 2.996 N/A GLU 40.A N GLU 36.A O no hydrogen 3.040 N/A LEU 41.A N TRP 37.A O no hydrogen 2.992 N/A LEU 42.A N ILE 38.A O no hydrogen 2.964 N/A LEU 43.A N ARG 39.A O no hydrogen 2.882 N/A ARG 44.A N GLU 40.A O no hydrogen 3.130 N/A ARG 44.A N LEU 41.A O no hydrogen 3.266 N/A ARG 44.A NE GLU 105.A OE2 no hydrogen 2.761 N/A ARG 44.A NH2 GLU 105.A OE1 no hydrogen 3.242 N/A ARG 44.A NH2 GLU 105.A OE2 no hydrogen 3.417 N/A GLY 45.A N LEU 41.A O no hydrogen 3.098 N/A ALA 48.A N LEU 68.A O no hydrogen 2.810 N/A ARG 49.A N GLU 102.A O no hydrogen 2.880 N/A VAL 50.A N THR 66.A O no hydrogen 2.977 N/A ALA 51.A N THR 100.A O no hydrogen 2.876 N/A TRP 54.A N PHE 62.A O no hydrogen 2.951 N/A TRP 54.A NE1 THR 52.A OG1 no hydrogen 3.103 N/A GLN 55.A N LEU 89.A O no hydrogen 2.799 N/A GLY 56.A N ALA 60.A O no hydrogen 2.899 N/A GLY 59.A N GLY 56.A O no hydrogen 2.796 N/A ALA 60.A N ASP 58.A OD1 no hydrogen 2.895 N/A PHE 62.A N TRP 54.A O no hydrogen 2.838 N/A PHE 64.A N THR 52.A O no hydrogen 3.016 N/A THR 66.A N VAL 50.A O no hydrogen 2.989 N/A LEU 68.A N ALA 48.A O no hydrogen 2.849 N/A TYR 70.A N THR 46.A O no hydrogen 3.060 N/A TYR 70.A OH LEU 42.A O no hydrogen 2.729 N/A ALA 71.A N VAL 80.A O no hydrogen 2.977 N/A ARG 73.A N ASP 78.A O no hydrogen 2.832 N/A ARG 73.A NE ASP 78.A OD1 no hydrogen 2.862 N/A ARG 73.A NH2 ASP 78.A OD2 no hydrogen 2.840 N/A GLN 76.A N GLN 76.A OE1 no hydrogen 2.734 N/A GLY 77.A N ARG 73.A O no hydrogen 3.013 N/A GLY 77.A N PRO 74.A O no hydrogen 3.215 N/A ASP 78.A N ARG 73.A O no hydrogen 3.283 N/A LEU 79.A N LEU 176.A O no hydrogen 2.974 N/A VAL 80.A N ALA 71.A O no hydrogen 2.891 N/A TYR 81.A N TYR 174.A O no hydrogen 3.191 N/A SER 82.A OG SER 172.A O no hydrogen 3.246 N/A THR 83.A N SER 172.A O no hydrogen 3.066 N/A ASN 84.A ND2 ARG 170.A O no hydrogen 2.883 N/A VAL 85.A N THR 83.A OG1 no hydrogen 3.075 N/A ALA 91.A N LEU 53.A O no hydrogen 2.996 N/A HIS 97.A N ALA 131.A O no hydrogen 2.830 N/A ALA 99.A N GLY 129.A O no hydrogen 2.870 N/A THR 100.A N ALA 51.A O no hydrogen 2.987 N/A LEU 101.A N VAL 127.A O no hydrogen 2.875 N/A GLU 102.A N ARG 49.A O no hydrogen 2.802 N/A VAL 103.A N VAL 125.A O no hydrogen 3.083 N/A SER 104.A OG.A GLU 102.A OE1 no hydrogen 3.392 N/A SER 104.A OG.A GLU 102.A OE2 no hydrogen 2.608 N/A SER 104.A OG.B GLU 102.A OE2 no hydrogen 2.275 N/A SER 104.A OG.B ARG 123.A O no hydrogen 3.089 N/A GLU 105.A N ARG 123.A O no hydrogen 2.806 N/A GLY 107.A N GLN 121.A O no hydrogen 2.795 N/A GLN 108.A N GLN 121.A OE1 no hydrogen 2.926 N/A LEU 110.A N SER 119.A O.A no hydrogen 2.859 N/A LEU 110.A N SER 119.A O.B no hydrogen 2.663 N/A SER 112.A OG SER 114.A O no hydrogen 3.555 N/A SER 112.A OG ILE 192.A O no hydrogen 2.561 N/A ASN 113.A N GLN 193.A OE1 no hydrogen 3.211 N/A ASN 113.A ND2 GLU 194.A O no hydrogen 2.872 N/A ASN 113.A ND2 PRO 198.A O no hydrogen 2.984 N/A SER 114.A N SER 112.A OG no hydrogen 2.958 N/A GLU 117.A N SER 114.A O no hydrogen 3.004 N/A SER 119.A N.A LEU 110.A O no hydrogen 3.351 N/A SER 119.A N.B LEU 110.A O no hydrogen 3.335 N/A GLN 121.A N GLN 108.A O no hydrogen 2.939 N/A GLN 121.A NE2 ALA 188.A O no hydrogen 2.748 N/A TYR 122.A N ASN 186.A O no hydrogen 2.940 N/A ARG 123.A N GLU 105.A O no hydrogen 2.828 N/A ARG 123.A NE GLU 185.A OE2 no hydrogen 2.773 N/A ARG 123.A NH1 GLU 105.A OE1 no hydrogen 2.843 N/A SER 124.A N LYS 184.A O no hydrogen 2.859 N/A SER 124.A OG GLU 102.A OE2 no hydrogen 2.769 N/A SER 124.A OG SER 104.A OG.B no hydrogen 2.656 N/A VAL 125.A N VAL 103.A O no hydrogen 2.860 N/A MET 126.A N SER 182.A O.A no hydrogen 2.789 N/A MET 126.A N SER 182.A O.B no hydrogen 3.193 N/A VAL 127.A N LEU 101.A O no hydrogen 2.780 N/A PHE 128.A N ARG 180.A O no hydrogen 2.850 N/A GLY 129.A N ALA 99.A O no hydrogen 3.092 N/A THR 130.A N SER 177.A O.A no hydrogen 3.141 N/A THR 130.A N SER 177.A O.B no hydrogen 3.146 N/A ALA 131.A N HIS 97.A O no hydrogen 2.742 N/A ARG 132.A N SER 175.A O no hydrogen 2.941 N/A LEU 134.A N VAL 173.A O no hydrogen 2.758 N/A ASP 138.A N ALA 135.A O no hydrogen 3.094 N/A ALA 139.A N ALA 135.A O no hydrogen 3.242 N/A ARG 140.A N GLY 136.A O no hydrogen 2.901 N/A ARG 140.A NE ILE 163.A O no hydrogen 2.896 N/A ARG 140.A NH1 GLU 137.A OE1 no hydrogen 2.843 N/A ARG 140.A NH2 ILE 163.A O no hydrogen 2.956 N/A ARG 140.A NH2 GLU 165.A OE2 no hydrogen 2.914 N/A ALA 141.A N GLU 137.A O no hydrogen 2.896 N/A ALA 142.A N ASP 138.A O no hydrogen 3.018 N/A LEU 143.A N ALA 139.A O no hydrogen 2.861 N/A THR 144.A N ARG 140.A O no hydrogen 2.862 N/A THR 144.A OG1 ARG 140.A O no hydrogen 2.776 N/A THR 145.A N ALA 141.A O no hydrogen 2.925 N/A THR 145.A OG1 ALA 141.A O no hydrogen 3.134 N/A LEU 146.A N ALA 142.A O no hydrogen 2.882 N/A SER 147.A N LEU 143.A O no hydrogen 2.878 N/A SER 147.A OG LEU 143.A O no hydrogen 2.872 N/A GLU 148.A N THR 144.A O no hydrogen 2.914 N/A ARG 149.A N THR 145.A O no hydrogen 2.948 N/A ARG 149.A N LEU 146.A O no hydrogen 3.175 N/A ARG 149.A NH1 TYR 72.A O no hydrogen 2.792 N/A ARG 149.A NH2 TYR 72.A O no hydrogen 3.172 N/A VAL 150.A N LEU 146.A O no hydrogen 3.103 N/A PHE 151.A N SER 147.A O no hydrogen 3.041 N/A LEU 154.A N PHE 151.A O no hydrogen 2.909 N/A LYS 155.A N THR 159.A OG1 no hydrogen 2.877 N/A VAL 156.A N GLU 148.A OE2 no hydrogen 2.883 N/A GLY 157.A N THR 160.A O no hydrogen 2.760 N/A GLU 158.A N LYS 155.A O no hydrogen 3.076 N/A THR 159.A N LYS 155.A O no hydrogen 2.827 N/A THR 159.A OG1 LYS 155.A O no hydrogen 3.407 N/A THR 160.A N LYS 155.A O no hydrogen 3.445 N/A THR 160.A OG1 ARG 161.A O no hydrogen 2.779 N/A ARG 161.A NH1 PRO 162.A O no hydrogen 2.952 N/A ARG 161.A NH1 ASP 167.A OD2 no hydrogen 2.766 N/A ARG 161.A NH2 ASP 167.A OD1 no hydrogen 3.054 N/A ARG 161.A NH2 ASP 167.A OD2 no hydrogen 3.527 N/A SER 164.A N ASP 167.A OD2 no hydrogen 2.931 N/A ASP 167.A N SER 164.A OG no hydrogen 3.022 N/A LEU 168.A N SER 164.A O no hydrogen 3.152 N/A LYS 169.A N GLU 165.A O no hydrogen 3.062 N/A LYS 169.A N ASP 166.A O no hydrogen 3.032 N/A ARG 170.A N ASP 166.A O no hydrogen 3.219 N/A ARG 170.A N ASP 167.A O no hydrogen 3.182 N/A ARG 170.A NE ASP 166.A OD1 no hydrogen 2.865 N/A ARG 170.A NE ASP 166.A OD2 no hydrogen 3.419 N/A THR 171.A N LEU 168.A O no hydrogen 3.333 N/A THR 171.A OG1 ASP 167.A O no hydrogen 2.574 N/A SER 172.A N ASN 84.A OD1 no hydrogen 2.975 N/A SER 172.A OG ASN 84.A OD1 no hydrogen 3.312 N/A TYR 174.A N TYR 81.A O no hydrogen 2.898 N/A SER 175.A N ARG 132.A O no hydrogen 3.078 N/A SER 175.A OG ASP 78.A OD2 no hydrogen 2.663 N/A LEU 176.A N LEU 79.A O no hydrogen 2.723 N/A SER 177.A N.A THR 130.A O no hydrogen 2.883 N/A SER 177.A N.B THR 130.A O no hydrogen 2.887 N/A ILE 178.A N GLY 77.A O no hydrogen 2.991 N/A ASP 179.A N PHE 128.A O no hydrogen 2.864 N/A ARG 180.A N PHE 128.A O no hydrogen 3.154 N/A TRP 181.A NE1 ASP 35.A OD1 no hydrogen 2.771 N/A SER 182.A N.A MET 126.A O no hydrogen 2.837 N/A SER 182.A N.B MET 126.A O no hydrogen 2.766 N/A LYS 184.A N SER 124.A O no hydrogen 2.842 N/A GLU 185.A N ASN 31.A O no hydrogen 2.986 N/A ASN 186.A N TYR 122.A O no hydrogen 2.887 N/A GLN 193.A NE2 PRO 111.A O no hydrogen 3.034 N/A GLN 193.A NE2 ALA 191.A O no hydrogen 3.079 N/A GLU 194.A N ASN 113.A OD1 no hydrogen 2.700 N/A ASP 196.A N GLU 194.A OE2 no hydrogen 2.877 N/A TRP 197.A N GLU 194.A O no hydrogen 3.489 N/A GLU 203.A N GLU 203.A OE1 no hydrogen 2.678 N/A TRP 204.A N GLY 201.A O no hydrogen 2.975 N/A GLY 206.A N PRO 202.A O no hydrogen 2.969 N/A