Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N LEU 33.A O no hydrogen 3.123 N/A SER 1.A OG LEU 33.A O no hydrogen 3.151 N/A SER 7.A OG ASN 4.A OD1 no hydrogen 2.738 N/A VAL 8.A N ASN 4.A O no hydrogen 2.979 N/A ILE 9.A N ARG 5.A O no hydrogen 2.900 N/A ASP 10.A N GLU 6.A O no hydrogen 2.852 N/A ALA 11.A N SER 7.A O no hydrogen 3.049 N/A ALA 12.A N VAL 8.A O no hydrogen 2.913 N/A LEU 13.A N ILE 9.A O no hydrogen 2.860 N/A GLU 14.A N ASP 10.A O no hydrogen 3.146 N/A LEU 15.A N ALA 11.A O no hydrogen 2.860 N/A LEU 16.A N ALA 12.A O no hydrogen 2.809 N/A ASN 17.A N LEU 13.A O no hydrogen 3.111 N/A GLU 18.A N GLU 14.A O no hydrogen 3.226 N/A THR 19.A N LEU 15.A O no hydrogen 2.790 N/A THR 19.A OG1 LEU 15.A O no hydrogen 3.295 N/A THR 19.A OG1 GLY 20.A O no hydrogen 2.763 N/A GLY 20.A N LEU 16.A O no hydrogen 2.722 N/A ILE 21.A N ASP 94.A OD2 no hydrogen 2.802 N/A LYS 28.A N THR 25.A OG1 no hydrogen 3.109 N/A LYS 28.A NZ GLY 23.A O no hydrogen 2.767 N/A LEU 29.A N THR 25.A O no hydrogen 3.037 N/A ALA 30.A N THR 26.A O no hydrogen 2.899 N/A GLN 31.A N ARG 27.A O no hydrogen 3.162 N/A LYS 32.A N LYS 28.A O no hydrogen 3.014 N/A LYS 32.A NZ GLU 18.A OE2 no hydrogen 2.797 N/A LEU 33.A N LEU 29.A O no hydrogen 2.962 N/A LEU 33.A N ALA 30.A O no hydrogen 3.129 N/A GLY 34.A N GLN 31.A O no hydrogen 3.042 N/A ILE 35.A N ALA 30.A O no hydrogen 3.005 N/A LEU 40.A N GLU 36.A O no hydrogen 3.180 N/A TYR 41.A N GLN 37.A O no hydrogen 2.957 N/A TRP 42.A N PRO 38.A O no hydrogen 3.378 N/A TRP 42.A N THR 39.A O no hydrogen 3.220 N/A HIS 43.A N LEU 40.A O no hydrogen 2.771 N/A VAL 44.A N LEU 40.A O no hydrogen 2.776 N/A LYS 45.A NZ TYR 41.A O no hydrogen 2.963 N/A LYS 45.A NZ TRP 42.A O no hydrogen 2.927 N/A LYS 47.A NZ ILE 21.A O no hydrogen 2.628 N/A LYS 47.A NZ LEU 24.A O no hydrogen 2.844 N/A ARG 48.A NH1 ASP 52.A OD1 no hydrogen 2.562 N/A ALA 49.A N ASN 46.A OD1 no hydrogen 2.863 N/A LEU 50.A N ASN 46.A O no hydrogen 3.079 N/A LEU 51.A N LYS 47.A O no hydrogen 2.815 N/A ASP 52.A N ARG 48.A O no hydrogen 2.972 N/A ALA 53.A N ALA 49.A O no hydrogen 3.141 N/A LEU 54.A N LEU 50.A O no hydrogen 2.976 N/A ALA 55.A N LEU 51.A O no hydrogen 2.931 N/A VAL 56.A N ASP 52.A O no hydrogen 3.253 N/A GLU 57.A N ALA 53.A O no hydrogen 2.912 N/A ILE 58.A N LEU 54.A O no hydrogen 2.724 N/A LEU 59.A N ALA 55.A O no hydrogen 3.399 N/A ALA 60.A N VAL 56.A O no hydrogen 2.856 N/A ARG 61.A N GLU 57.A O no hydrogen 2.783 N/A ARG 61.A NE GLU 57.A OE2 no hydrogen 3.256 N/A ARG 61.A NH1 ASP 10.A OD1 no hydrogen 2.684 N/A ARG 61.A NH2 ASP 10.A OD1 no hydrogen 2.732 N/A HIS 62.A N ILE 58.A O no hydrogen 2.855 N/A HIS 63.A N LEU 59.A O no hydrogen 2.811 N/A HIS 63.A ND1 SER 84.A OG no hydrogen 2.799 N/A TYR 65.A N SER 84.A OG no hydrogen 3.042 N/A TYR 65.A OH GLU 72.A OE1 no hydrogen 2.679 N/A TYR 65.A OH GLU 72.A OE2 no hydrogen 3.095 N/A ALA 69.A N GLU 72.A OE1 no hydrogen 2.875 N/A GLU 72.A N ALA 69.A O no hydrogen 3.013 N/A GLN 75.A N GLN 75.A OE1 no hydrogen 2.802 N/A GLN 75.A NE2 GLU 193.A OE1 no hydrogen 3.007 N/A SER 76.A N SER 73.A OG no hydrogen 3.142 N/A SER 76.A OG GLU 72.A OE2 no hydrogen 2.625 N/A PHE 77.A N SER 73.A O no hydrogen 2.886 N/A LEU 78.A N TRP 74.A O no hydrogen 2.932 N/A ARG 79.A N GLN 75.A O no hydrogen 3.088 N/A ARG 79.A NE GLU 186.A OE2 no hydrogen 2.770 N/A ARG 79.A NH2 GLU 186.A OE1 no hydrogen 2.969 N/A ARG 79.A NH2 GLU 186.A OE2 no hydrogen 3.552 N/A ASN 80.A N SER 76.A O no hydrogen 2.919 N/A ASN 80.A ND2 GLU 72.A OE2 no hydrogen 2.853 N/A ALA 81.A N PHE 77.A O no hydrogen 2.847 N/A ALA 82.A N LEU 78.A O no hydrogen 2.951 N/A MET 83.A N ARG 79.A O no hydrogen 3.019 N/A SER 84.A N ASN 80.A O no hydrogen 2.996 N/A SER 84.A OG HIS 63.A ND1 no hydrogen 2.799 N/A PHE 85.A N ALA 81.A O no hydrogen 2.820 N/A ARG 86.A N ALA 82.A O no hydrogen 2.931 N/A ARG 86.A NH2 ASP 176.A O no hydrogen 3.449 N/A ARG 86.A NH2 ASP 176.A OD1 no hydrogen 3.015 N/A ARG 87.A N MET 83.A O no hydrogen 2.936 N/A ARG 87.A NH2 ASP 64.A OD2 no hydrogen 3.560 N/A ALA 88.A N SER 84.A O no hydrogen 2.888 N/A LEU 89.A N PHE 85.A O no hydrogen 2.930 N/A LEU 90.A N ARG 86.A O no hydrogen 2.928 N/A ARG 91.A N ALA 88.A O no hydrogen 3.351 N/A TYR 92.A OH HIS 62.A NE2 no hydrogen 3.259 N/A ARG 93.A N ASN 17.A OD1 no hydrogen 3.014 N/A ARG 93.A NH1 ASN 17.A O no hydrogen 3.513 N/A GLY 95.A N TYR 92.A O no hydrogen 2.958 N/A ALA 96.A N GLN 148.A OE1 no hydrogen 2.982 N/A LYS 97.A NZ GLU 149.A OE1 no hydrogen 3.142 N/A LYS 97.A NZ GLU 149.A OE2 no hydrogen 2.860 N/A VAL 98.A N ASP 94.A O no hydrogen 3.070 N/A HIS 99.A N GLY 95.A O no hydrogen 2.931 N/A LEU 100.A N ALA 96.A O no hydrogen 2.836 N/A GLY 101.A N LYS 97.A O no hydrogen 3.149 N/A THR 102.A N HIS 99.A O no hydrogen 3.422 N/A THR 102.A OG1 HIS 99.A O no hydrogen 2.859 N/A LYS 107.A NZ ASP 105.A OD2 no hydrogen 3.176 N/A TYR 109.A N ASP 105.A O no hydrogen 3.098 N/A ASP 110.A N GLU 106.A O no hydrogen 3.136 N/A THR 111.A N LYS 107.A O no hydrogen 3.037 N/A THR 111.A OG1 LYS 107.A O no hydrogen 3.345 N/A VAL 112.A N GLN 108.A O no hydrogen 2.901 N/A GLU 113.A N TYR 109.A O no hydrogen 2.899 N/A THR 114.A N ASP 110.A O no hydrogen 2.888 N/A THR 114.A OG1 ASP 110.A O no hydrogen 3.210 N/A GLN 115.A N THR 111.A O no hydrogen 2.888 N/A GLN 115.A NE2 SER 66.A O no hydrogen 2.655 N/A LEU 116.A N VAL 112.A O no hydrogen 2.741 N/A ARG 117.A N GLU 113.A O no hydrogen 2.713 N/A PHE 118.A N THR 114.A O no hydrogen 2.829 N/A MET 119.A N GLN 115.A O no hydrogen 2.980 N/A THR 120.A N LEU 116.A O no hydrogen 3.033 N/A THR 120.A OG1 LEU 116.A O no hydrogen 3.073 N/A THR 120.A OG1 ARG 117.A O no hydrogen 2.804 N/A GLU 121.A N ARG 117.A O no hydrogen 2.937 N/A ASN 122.A N MET 119.A O no hydrogen 2.974 N/A ASN 122.A ND2 PHE 118.A O no hydrogen 2.789 N/A GLY 123.A N THR 120.A O no hydrogen 3.123 N/A PHE 124.A N MET 119.A O no hydrogen 3.295 N/A ARG 127.A NE TYR 131.A OH no hydrogen 3.290 N/A ASP 128.A N SER 125.A OG no hydrogen 3.021 N/A GLY 129.A N SER 125.A O no hydrogen 2.754 N/A LEU 130.A N LEU 126.A O no hydrogen 2.888 N/A TYR 131.A N ARG 127.A O no hydrogen 2.930 N/A ALA 132.A N ASP 128.A O no hydrogen 2.877 N/A ILE 133.A N GLY 129.A O no hydrogen 3.036 N/A SER 134.A N LEU 130.A O no hydrogen 2.778 N/A SER 134.A OG LEU 130.A O no hydrogen 2.900 N/A ALA 135.A N TYR 131.A O no hydrogen 2.865 N/A VAL 136.A N ALA 132.A O no hydrogen 3.008 N/A SER 137.A N ILE 133.A O no hydrogen 3.030 N/A HIS 138.A N SER 134.A O no hydrogen 2.759 N/A PHE 139.A N ALA 135.A O no hydrogen 2.897 N/A THR 140.A N VAL 136.A O no hydrogen 2.956 N/A THR 140.A OG1 VAL 136.A O no hydrogen 2.734 N/A LEU 141.A N SER 137.A O no hydrogen 2.898 N/A GLY 142.A N HIS 138.A O no hydrogen 2.903 N/A ALA 143.A N PHE 139.A O no hydrogen 2.935 N/A VAL 144.A N THR 140.A O no hydrogen 3.028 N/A LEU 145.A N LEU 141.A O no hydrogen 2.824 N/A GLU 146.A N GLY 142.A O no hydrogen 2.986 N/A GLN 147.A N ALA 143.A O no hydrogen 3.145 N/A GLN 148.A N VAL 144.A O no hydrogen 2.834 N/A GLN 148.A NE2 LEU 89.A O no hydrogen 3.092 N/A GLN 148.A NE2 TYR 92.A O no hydrogen 3.235 N/A GLU 149.A N LEU 145.A O no hydrogen 2.820 N/A HIS 150.A N GLU 146.A O no hydrogen 2.950 N/A THR 151.A N GLN 147.A O no hydrogen 3.004 N/A THR 151.A OG1 GLN 147.A O no hydrogen 3.015 N/A ALA 152.A N GLN 148.A O no hydrogen 2.971 N/A ALA 153.A N GLU 149.A O no hydrogen 2.928 N/A LEU 154.A N HIS 150.A O no hydrogen 3.261 N/A LEU 154.A N THR 151.A O no hydrogen 3.089 N/A THR 155.A OG1 ALA 152.A O no hydrogen 2.913 N/A THR 155.A OG1 ASP 156.A OD1 no hydrogen 3.360 N/A ASP 156.A N ALA 153.A O no hydrogen 3.199 N/A ASN 160.A N PRO 157.A O no hydrogen 3.319 N/A LEU 161.A N ASP 158.A O no hydrogen 2.995 N/A ARG 166.A N PRO 162.A O no hydrogen 2.912 N/A ARG 166.A NH1 ASP 158.A O no hydrogen 3.357 N/A GLU 167.A N PRO 163.A O no hydrogen 3.012 N/A ALA 168.A N LEU 164.A O no hydrogen 2.762 N/A LEU 169.A N LEU 165.A O no hydrogen 2.878 N/A GLN 170.A N ARG 166.A O no hydrogen 3.082 N/A ILE 171.A N GLU 167.A O no hydrogen 2.914 N/A MET 172.A N ALA 168.A O no hydrogen 2.830 N/A ASP 173.A N LEU 169.A O no hydrogen 2.939 N/A SER 174.A N ILE 171.A O no hydrogen 3.273 N/A SER 174.A OG ILE 171.A O no hydrogen 2.475 N/A GLY 177.A N ASP 175.A OD1 no hydrogen 2.731 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 3.044 N/A GLN 179.A N ASP 175.A OD2 no hydrogen 3.009 N/A PHE 181.A N GLY 177.A O no hydrogen 2.971 N/A LEU 182.A N GLU 178.A O no hydrogen 2.829 N/A HIS 183.A N GLN 179.A O no hydrogen 3.086 N/A GLY 184.A N ALA 180.A O no hydrogen 2.991 N/A LEU 185.A N PHE 181.A O no hydrogen 2.889 N/A GLU 186.A N LEU 182.A O no hydrogen 3.116 N/A SER 187.A N HIS 183.A O no hydrogen 3.132 N/A SER 187.A OG HIS 183.A O no hydrogen 3.233 N/A LEU 188.A N GLY 184.A O no hydrogen 2.927 N/A ILE 189.A N LEU 185.A O no hydrogen 3.025 N/A ARG 190.A N GLU 186.A O no hydrogen 3.025 N/A GLY 191.A N SER 187.A O no hydrogen 2.981 N/A PHE 192.A N LEU 188.A O no hydrogen 3.011 N/A GLU 193.A N ILE 189.A O no hydrogen 2.973 N/A VAL 194.A N ARG 190.A O no hydrogen 2.869 N/A GLN 195.A N GLY 191.A O no hydrogen 3.088 N/A LEU 196.A N PHE 192.A O no hydrogen 2.867 N/A THR 197.A N GLU 193.A O no hydrogen 2.971 N/A THR 197.A OG1 GLU 193.A O no hydrogen 3.151 N/A THR 197.A OG1 VAL 194.A O no hydrogen 3.144 N/A ALA 198.A N VAL 194.A O no hydrogen 3.224 N/A LEU 199.A N LEU 196.A O no hydrogen 3.226 N/A GLN 201.A N ALA 198.A O no hydrogen 2.806 N/A