Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ki2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 GLU 19.A OE2 no hydrogen 2.614 N/A VAL 6.A N THR 13.A O no hydrogen 2.963 N/A THR 8.A N GLY 11.A O no hydrogen 2.968 N/A THR 8.A OG1 GLY 11.A O no hydrogen 2.870 N/A GLN 10.A N THR 8.A OG1 no hydrogen 3.083 N/A GLN 10.A NE2 ASP 93.A O no hydrogen 3.082 N/A GLY 11.A N THR 8.A O no hydrogen 2.840 N/A THR 13.A N VAL 6.A O no hydrogen 2.840 N/A THR 13.A OG1 VAL 6.A O no hydrogen 3.350 N/A THR 13.A OG1 ASN 14.A OD1 no hydrogen 2.888 N/A TRP 15.A NE1 PRO 166.A O no hydrogen 2.805 N/A THR 16.A N GLU 19.A OE1 no hydrogen 2.906 N/A THR 16.A OG1 GLU 19.A OE1 no hydrogen 3.440 N/A GLU 19.A N THR 16.A OG1 no hydrogen 3.183 N/A LEU 20.A N THR 16.A O no hydrogen 3.040 N/A GLU 21.A N TYR 17.A O no hydrogen 2.790 N/A ALA 22.A N GLN 18.A O no hydrogen 3.095 N/A THR 23.A N GLU 19.A O no hydrogen 3.069 N/A THR 23.A OG1 GLU 19.A O no hydrogen 3.005 N/A HIS 24.A N LEU 20.A O no hydrogen 2.773 N/A HIS 24.A ND1 TYR 102.A OH no hydrogen 2.631 N/A GLN 25.A N GLU 21.A O no hydrogen 2.975 N/A GLN 25.A NE2.A GLU 21.A OE2.A no hydrogen 3.028 N/A ALA 26.A N ALA 22.A O no hydrogen 2.985 N/A LEU 27.A N THR 23.A O no hydrogen 2.876 N/A THR 28.A N HIS 24.A O no hydrogen 2.862 N/A THR 28.A OG1 HIS 24.A O no hydrogen 2.857 N/A ARG 29.A N GLN 25.A O no hydrogen 2.956 N/A GLU 30.A N ALA 26.A O no hydrogen 3.157 N/A GLY 31.A N THR 28.A O no hydrogen 3.012 N/A TYR 32.A N LEU 27.A O no hydrogen 3.020 N/A VAL 33.A N ILE 103.A O no hydrogen 2.815 N/A VAL 35.A N VAL 101.A O no hydrogen 2.848 N/A TYR 37.A N ALA 65.A O no hydrogen 2.852 N/A TYR 37.A OH GLU 187.A OE1 no hydrogen 2.772 N/A HIS 38.A N LEU 99.A O no hydrogen 2.813 N/A HIS 38.A ND1 TYR 63.A O no hydrogen 2.707 N/A THR 40.A N VAL 97.A O no hydrogen 3.020 N/A VAL 43.A N ASN 41.A OD1 no hydrogen 2.999 N/A ALA 44.A N ASN 41.A OD1 no hydrogen 2.975 N/A ALA 45.A N ASN 41.A O no hydrogen 2.952 N/A GLN 46.A N HIS 42.A O no hydrogen 3.346 N/A GLN 46.A NE2 GLN 46.A O no hydrogen 3.252 N/A GLN 46.A NE2 ASN 50.A OD1 no hydrogen 3.049 N/A THR 47.A N VAL 43.A O no hydrogen 3.321 N/A THR 47.A OG1 VAL 43.A O no hydrogen 3.394 N/A ILE 48.A N ALA 44.A O no hydrogen 3.000 N/A VAL 49.A N ALA 45.A O no hydrogen 2.959 N/A ASN 50.A N GLN 46.A O no hydrogen 3.026 N/A ARG 51.A N THR 47.A O no hydrogen 3.006 N/A LYS 58.A NZ GLU 122.A OE1 no hydrogen 2.837 N/A TRP 59.A N ASN 55.A O no hydrogen 2.884 N/A GLY 60.A N GLU 57.A O no hydrogen 3.010 N/A LEU 62.A N ILE 154.A O no hydrogen 2.870 N/A TYR 63.A OH TRP 59.A O no hydrogen 2.650 N/A VAL 64.A N THR 152.A O no hydrogen 2.862 N/A ALA 65.A N TYR 37.A O no hydrogen 2.874 N/A VAL 70.A N HIS 67.A O no hydrogen 2.954 N/A HIS 72.A N ALA 68.A O no hydrogen 2.886 N/A GLY 73.A N GLU 69.A O no hydrogen 3.109 N/A GLY 73.A N VAL 70.A O no hydrogen 3.277 N/A TYR 74.A N ALA 71.A O no hydrogen 2.930 N/A ALA 75.A N HIS 72.A O no hydrogen 3.066 N/A ARG 76.A N TYR 74.A O no hydrogen 2.894 N/A ARG 76.A NE ALA 173.A O no hydrogen 2.853 N/A ARG 76.A NH2 TYR 174.A O no hydrogen 2.797 N/A THR 81.A N GLU 91.A OE1 no hydrogen 2.850 N/A THR 81.A OG1 GLU 91.A OE1 no hydrogen 3.442 N/A THR 81.A OG1 GLU 91.A OE2 no hydrogen 2.557 N/A GLY 82.A N LEU 86.A O no hydrogen 2.819 N/A GLY 85.A N GLY 82.A O no hydrogen 3.208 N/A LEU 86.A N GLU 83.A O no hydrogen 3.093 N/A THR 88.A N GLU 91.A OE1 no hydrogen 2.873 N/A ARG 89.A NE ASP 93.A OD1 no hydrogen 3.543 N/A ARG 89.A NE ASP 93.A OD2 no hydrogen 2.638 N/A GLU 91.A N THR 88.A OG1 no hydrogen 3.044 N/A ARG 92.A N THR 88.A O no hydrogen 2.953 N/A ASP 93.A N ARG 89.A O no hydrogen 2.931 N/A ARG 95.A N PRO 9.A O no hydrogen 2.803 N/A ARG 95.A NH1 ARG 92.A O no hydrogen 3.249 N/A ARG 95.A NH1 ALA 94.A O no hydrogen 2.827 N/A GLY 96.A N ASN 172.A O no hydrogen 2.879 N/A VAL 97.A N THR 40.A O no hydrogen 2.871 N/A LEU 99.A N HIS 38.A O no hydrogen 2.823 N/A ARG 100.A N ILE 165.A O no hydrogen 2.681 N/A ARG 100.A NE TYR 102.A OH no hydrogen 3.071 N/A ARG 100.A NH1 GLU 187.A OE1 no hydrogen 3.058 N/A ARG 100.A NH1 SER 191.A OG no hydrogen 2.745 N/A ARG 100.A NH2 TYR 102.A OH no hydrogen 2.989 N/A ARG 100.A NH2 ILE 190.A O no hydrogen 2.783 N/A VAL 101.A N GLY 36.A O no hydrogen 2.893 N/A TYR 102.A N VAL 163.A O no hydrogen 2.835 N/A TYR 102.A OH HIS 24.A ND1 no hydrogen 2.631 N/A ILE 103.A N VAL 33.A O no hydrogen 2.930 N/A ARG 105.A N GLY 31.A O no hydrogen 2.857 N/A SER 107.A N PRO 104.A O no hydrogen 2.915 N/A LEU 108.A N ARG 105.A O no hydrogen 2.979 N/A GLU 109.A N ALA 106.A O no hydrogen 3.217 N/A ARG 110.A N SER 107.A O no hydrogen 3.041 N/A ARG 110.A NE ASN 137.A O no hydrogen 2.729 N/A ARG 110.A NH2 ASN 137.A OD1 no hydrogen 2.997 N/A PHE 111.A N LEU 108.A O no hydrogen 3.264 N/A TYR 112.A N ALA 139.A O no hydrogen 2.939 N/A ARG 113.A N LYS 197.A O no hydrogen 3.017 N/A ARG 113.A NE ASP 150.A OD2 no hydrogen 2.940 N/A ARG 113.A NH1 ASN 115.A OD1 no hydrogen 2.754 N/A ARG 113.A NH1 GLU 198.A OE1.A no hydrogen 3.094 N/A ARG 113.A NH1 GLU 198.A OE1.B no hydrogen 3.093 N/A ARG 113.A NH2 ASP 150.A OD1 no hydrogen 2.889 N/A ARG 113.A NH2 ASP 150.A OD2 no hydrogen 3.558 N/A THR 114.A N THR 141.A O no hydrogen 2.927 N/A THR 114.A OG1 THR 116.A OG1 no hydrogen 3.429 N/A THR 116.A N THR 114.A OG1 no hydrogen 3.090 N/A THR 116.A OG1 THR 114.A OG1 no hydrogen 3.429 N/A LEU 118.A N PRO 143.A O no hydrogen 2.945 N/A ASN 120.A N PRO 117.A O no hydrogen 2.814 N/A ALA 121.A N LEU 118.A O no hydrogen 2.990 N/A ILE 125.A N ALA 121.A O no hydrogen 2.843 N/A THR 126.A N GLU 122.A O no hydrogen 2.930 N/A THR 126.A OG1 GLU 122.A O no hydrogen 3.085 N/A THR 126.A OG1 GLU 123.A O no hydrogen 2.947 N/A GLN 127.A N GLU 123.A O no hydrogen 2.986 N/A VAL 128.A N HIS 124.A O no hydrogen 2.899 N/A ILE 129.A N ILE 125.A O no hydrogen 2.860 N/A GLY 130.A N THR 126.A O no hydrogen 2.838 N/A HIS 131.A ND1 SER 132.A O no hydrogen 2.684 N/A HIS 131.A NE2 GLU 138.A OE2 no hydrogen 2.720 N/A ARG 136.A N GLU 138.A OE1 no hydrogen 2.788 N/A ALA 139.A N ARG 110.A O no hydrogen 2.956 N/A PHE 140.A N VAL 153.A O no hydrogen 2.943 N/A THR 141.A N TYR 112.A O no hydrogen 2.897 N/A THR 141.A OG1 THR 152.A OG1 no hydrogen 2.668 N/A GLY 142.A N GLU 151.A O no hydrogen 3.054 N/A GLU 144.A N GLU 149.A O no hydrogen 2.831 N/A SER 145.A OG GLU 144.A OE2 no hydrogen 2.803 N/A GLY 148.A N SER 145.A O no hydrogen 2.783 N/A GLU 151.A N GLY 142.A O no hydrogen 2.936 N/A THR 152.A N VAL 64.A O no hydrogen 2.833 N/A THR 152.A OG1 THR 141.A OG1 no hydrogen 2.668 N/A VAL 153.A N PHE 140.A O no hydrogen 2.837 N/A ILE 154.A N LEU 62.A O no hydrogen 2.857 N/A GLY 155.A N GLU 138.A O no hydrogen 2.802 N/A MET 158.A N GLY 155.A O no hydrogen 2.977 N/A ALA 159.A N GLY 155.A O no hydrogen 2.846 N/A ILE 160.A N TRP 156.A O no hydrogen 3.050 N/A HIS 161.A N MET 158.A O no hydrogen 3.114 N/A ALA 162.A N ALA 159.A O no hydrogen 2.913 N/A VAL 163.A N TYR 102.A O no hydrogen 2.889 N/A ILE 165.A N ARG 100.A O no hydrogen 2.937 N/A SER 167.A N MET 98.A O no hydrogen 2.827 N/A SER 167.A OG GLU 187.A OE1 no hydrogen 2.783 N/A SER 167.A OG GLU 187.A OE2 no hydrogen 3.006 N/A THR 168.A N GLU 187.A OE2 no hydrogen 2.669 N/A THR 168.A OG1 GLU 187.A OE2 no hydrogen 2.606 N/A ILE 169.A N SER 167.A OG no hydrogen 2.937 N/A ASN 172.A N ALA 75.A O no hydrogen 2.833 N/A ASN 172.A ND2 HIS 72.A O no hydrogen 3.027 N/A ALA 173.A N ASN 172.A OD1 no hydrogen 2.806 N/A LEU 177.A N ASN 172.A OD1 no hydrogen 2.877 N/A ALA 183.A N ASP 180.A OD1 no hydrogen 3.153 N/A VAL 184.A N ASP 180.A O no hydrogen 3.154 N/A ALA 185.A N GLU 181.A O no hydrogen 2.925 N/A LYS 186.A N GLU 182.A O no hydrogen 2.995 N/A GLU 187.A N ALA 183.A O no hydrogen 3.250 N/A GLU 187.A N VAL 184.A O no hydrogen 3.190 N/A GLN 188.A N ALA 185.A O no hydrogen 3.122 N/A ILE 190.A N GLU 187.A O no hydrogen 3.131 N/A SER 191.A N GLN 188.A O no hydrogen 2.971 N/A SER 191.A OG TYR 37.A OH no hydrogen 3.221 N/A SER 191.A OG GLU 187.A O no hydrogen 2.684 N/A LYS 197.A N PHE 111.A O no hydrogen 2.901 N/A