Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kra_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH GLU 53.A OE1 no hydrogen 2.420 N/A ALA 6.A N GLN 2.A O no hydrogen 2.861 N/A ALA 7.A N PRO 3.A O no hydrogen 2.931 N/A ILE 8.A N TYR 4.A O no hydrogen 3.194 N/A GLU 9.A N TRP 5.A O no hydrogen 3.207 N/A ALA 10.A N ALA 6.A O no hydrogen 3.002 N/A ASP 11.A N ALA 7.A O no hydrogen 2.804 N/A ILE 12.A N ILE 8.A O no hydrogen 3.017 N/A GLU 13.A N GLU 9.A O no hydrogen 3.062 N/A ARG 14.A N ALA 10.A O no hydrogen 2.972 N/A ARG 14.A NH2 ASP 11.A OD2 no hydrogen 2.949 N/A TYR 15.A N ASP 11.A O no hydrogen 3.101 N/A LEU 16.A N ILE 12.A O no hydrogen 2.840 N/A LYS 17.A N GLU 13.A O no hydrogen 2.810 N/A LYS 18.A N ARG 14.A O no hydrogen 3.012 N/A SER 19.A N TYR 15.A O no hydrogen 2.943 N/A SER 19.A OG TYR 15.A O no hydrogen 2.970 N/A ILE 20.A N LEU 16.A O no hydrogen 2.901 N/A ARG 23.A NH1 THR 21.A O no hydrogen 2.870 N/A VAL 28.A N PRO 25.A O no hydrogen 2.996 N/A PHE 29.A N PRO 25.A O no hydrogen 3.051 N/A GLY 30.A N GLU 26.A O no hydrogen 2.791 N/A MET 32.A N VAL 28.A O no hydrogen 3.129 N/A HIS 33.A N PHE 29.A O no hydrogen 2.882 N/A HIS 34.A N GLY 30.A O no hydrogen 2.967 N/A LEU 35.A N PRO 31.A O no hydrogen 2.897 N/A THR 36.A N MET 32.A O no hydrogen 3.276 N/A THR 36.A OG1 MET 32.A O no hydrogen 2.836 N/A PHE 37.A N HIS 33.A O no hydrogen 3.226 N/A ALA 38.A N HIS 34.A O no hydrogen 2.871 N/A ALA 39.A N LEU 35.A O no hydrogen 3.302 N/A ALA 44.A N THR 42.A OG1 no hydrogen 3.198 N/A SER 45.A N THR 42.A O no hydrogen 3.096 N/A SER 45.A OG ALA 66.A O no hydrogen 2.961 N/A LEU 47.A N ALA 43.A O no hydrogen 2.818 N/A CYS 48.A N ALA 44.A O no hydrogen 3.192 N/A CYS 48.A SG ALA 62.A O no hydrogen 3.869 N/A LEU 49.A N SER 45.A O no hydrogen 3.307 N/A ALA 50.A N THR 46.A O no hydrogen 2.892 N/A ALA 51.A N LEU 47.A O no hydrogen 2.789 N/A CYS 52.A N CYS 48.A O no hydrogen 3.112 N/A CYS 52.A SG ASP 58.A O no hydrogen 3.548 N/A GLU 53.A N LEU 49.A O no hydrogen 3.033 N/A LEU 54.A N ALA 50.A O no hydrogen 2.921 N/A VAL 55.A N ALA 51.A O no hydrogen 3.204 N/A GLY 56.A N GLU 53.A O no hydrogen 2.825 N/A GLY 57.A N CYS 52.A O no hydrogen 2.846 N/A ASP 58.A N GLN 61.A OE1 no hydrogen 2.904 N/A ARG 59.A NE GLU 53.A OE2 no hydrogen 2.945 N/A ARG 59.A NH1 ASP 11.A OD1 no hydrogen 2.915 N/A ARG 59.A NH2 GLU 53.A OE1 no hydrogen 2.945 N/A ARG 59.A NH2 GLU 53.A OE2 no hydrogen 3.108 N/A SER 60.A N ASP 58.A OD1 no hydrogen 3.086 N/A GLN 61.A N ASP 58.A O no hydrogen 2.930 N/A ALA 62.A N ARG 59.A O no hydrogen 3.127 N/A MET 63.A N SER 60.A O no hydrogen 3.320 N/A ALA 66.A N ALA 62.A O no hydrogen 3.014 N/A ALA 67.A N MET 63.A O no hydrogen 2.839 N/A ALA 68.A N ALA 64.A O no hydrogen 2.796 N/A ILE 69.A N ALA 65.A O no hydrogen 2.801 N/A HIS 70.A N ALA 66.A O no hydrogen 2.993 N/A HIS 70.A NE2 THR 36.A O no hydrogen 2.845 N/A LEU 71.A N ALA 67.A O no hydrogen 2.855 N/A VAL 72.A N ALA 68.A O no hydrogen 2.882 N/A HIS 73.A N ILE 69.A O no hydrogen 3.044 N/A HIS 73.A NE2 PRO 40.A O no hydrogen 2.722 N/A ALA 74.A N HIS 70.A O no hydrogen 2.619 N/A ALA 75.A N LEU 71.A O no hydrogen 2.850 N/A ALA 76.A N VAL 72.A O no hydrogen 3.044 N/A TYR 77.A N HIS 73.A O no hydrogen 2.964 N/A VAL 78.A N ALA 74.A O no hydrogen 2.869 N/A HIS 79.A N ALA 75.A O no hydrogen 2.839 N/A HIS 79.A NE2 LEU 106.A O no hydrogen 2.753 N/A GLU 80.A N ALA 76.A O no hydrogen 2.784 N/A HIS 81.A N VAL 78.A O no hydrogen 3.187 N/A HIS 81.A ND1 TYR 77.A O no hydrogen 2.784 N/A LEU 82.A N HIS 79.A O no hydrogen 3.305 N/A SER 88.A N ASP 86.A OD1 no hydrogen 2.935 N/A SER 88.A OG ASP 86.A OD1 no hydrogen 2.754 N/A SER 88.A OG ASP 86.A OD2 no hydrogen 3.475 N/A ARG 89.A NE GLU 80.A O no hydrogen 3.149 N/A ARG 89.A NH1 LEU 155.A O no hydrogen 3.165 N/A ARG 89.A NH1 GLU 159.A OE2 no hydrogen 2.785 N/A ARG 89.A NH2 GLU 80.A OE1 no hydrogen 3.340 N/A ARG 89.A NH2 GLU 158.A OE1 no hydrogen 3.365 N/A SER 92.A OG PRO 94.A O no hydrogen 2.739 N/A LYS 93.A NZ ASP 163.A OD2 no hydrogen 3.062 N/A HIS 98.A ND1 GLU 105.A OE2 no hydrogen 2.633 N/A VAL 104.A N ASN 103.A OD1 no hydrogen 2.849 N/A GLU 105.A N GLY 101.A O no hydrogen 2.950 N/A LEU 106.A N PRO 102.A O no hydrogen 2.740 N/A LEU 107.A N ASN 103.A O no hydrogen 2.972 N/A THR 108.A N VAL 104.A O no hydrogen 2.894 N/A THR 108.A OG1 VAL 104.A O no hydrogen 2.555 N/A GLY 109.A N GLU 105.A O no hydrogen 3.054 N/A ASP 110.A N LEU 106.A O no hydrogen 3.155 N/A GLY 111.A N LEU 107.A O no hydrogen 2.884 N/A GLY 111.A N THR 108.A O no hydrogen 2.861 N/A ILE 112.A N THR 108.A O no hydrogen 2.715 N/A VAL 113.A N GLY 109.A O no hydrogen 3.332 N/A PHE 115.A N GLY 111.A O no hydrogen 3.363 N/A GLY 116.A N ILE 112.A O no hydrogen 3.379 N/A GLY 116.A N VAL 113.A O no hydrogen 3.044 N/A GLU 118.A N PRO 114.A O no hydrogen 2.836 N/A LEU 119.A N PHE 115.A O no hydrogen 2.810 N/A LEU 120.A N GLY 116.A O no hydrogen 2.858 N/A ALA 121.A N PHE 117.A O no hydrogen 2.839 N/A GLY 122.A N GLU 118.A O no hydrogen 2.754 N/A SER 123.A N LEU 120.A O no hydrogen 3.082 N/A SER 123.A OG LEU 120.A O no hydrogen 2.625 N/A VAL 124.A N ALA 121.A O no hydrogen 3.456 N/A ASP 125.A N ASP 131.A OD2 no hydrogen 2.700 N/A ALA 127.A N ASP 125.A OD1 no hydrogen 2.801 N/A ARG 128.A N ASP 125.A O no hydrogen 2.911 N/A ASP 131.A N ARG 128.A O no hydrogen 3.319 N/A ARG 134.A N ASP 130.A O no hydrogen 3.251 N/A ILE 135.A N ASP 131.A O no hydrogen 2.836 N/A LEU 136.A N PRO 132.A O no hydrogen 2.933 N/A ARG 137.A N ASP 133.A O no hydrogen 3.057 N/A ARG 137.A NH1 GLU 198.A OE2 no hydrogen 3.002 N/A ARG 137.A NH2 GLU 198.A OE1 no hydrogen 2.919 N/A VAL 138.A N ARG 134.A O no hydrogen 2.891 N/A ILE 139.A N ILE 135.A O no hydrogen 2.819 N/A ILE 140.A N LEU 136.A O no hydrogen 3.106 N/A GLU 141.A N ARG 137.A O no hydrogen 3.006 N/A ILE 142.A N VAL 138.A O no hydrogen 2.987 N/A SER 143.A N ILE 139.A O no hydrogen 2.903 N/A SER 143.A OG ILE 139.A O no hydrogen 2.850 N/A SER 143.A OG ILE 140.A O no hydrogen 3.194 N/A ARG 144.A N ILE 140.A O no hydrogen 2.907 N/A ALA 145.A N GLU 141.A O no hydrogen 2.990 N/A GLY 146.A N ILE 142.A O no hydrogen 2.888 N/A GLY 147.A N ARG 144.A O no hydrogen 2.931 N/A GLY 150.A N GLY 147.A O no hydrogen 3.013 N/A MET 151.A N ALA 145.A O no hydrogen 2.775 N/A ILE 152.A N GLY 147.A O no hydrogen 3.245 N/A SER 153.A OG PRO 148.A O no hydrogen 2.593 N/A LEU 155.A N MET 151.A O no hydrogen 2.858 N/A HIS 156.A N ILE 152.A O no hydrogen 2.923 N/A ARG 157.A N SER 153.A O no hydrogen 2.798 N/A ARG 157.A NH1 GLU 160.A OE2 no hydrogen 2.778 N/A GLU 158.A N GLY 154.A O no hydrogen 2.765 N/A GLU 159.A N HIS 156.A O no hydrogen 3.243 N/A GLU 160.A N ARG 157.A O no hydrogen 2.918 N/A ILE 161.A N GLU 158.A O no hydrogen 3.006 N/A VAL 162.A N THR 166.A OG1 no hydrogen 2.657 N/A GLY 164.A N HIS 224.A ND1 no hydrogen 3.239 N/A ASN 165.A N VAL 162.A O no hydrogen 2.872 N/A THR 166.A OG1 VAL 162.A O no hydrogen 2.997 N/A PHE 170.A N SER 167.A OG no hydrogen 3.141 N/A ILE 171.A N SER 167.A O no hydrogen 3.125 N/A GLU 172.A N LEU 168.A O no hydrogen 2.822 N/A TYR 173.A N ASP 169.A O no hydrogen 3.103 N/A VAL 174.A N PHE 170.A O no hydrogen 2.980 N/A CYS 175.A N ILE 171.A O no hydrogen 2.925 N/A CYS 175.A SG ILE 171.A O no hydrogen 3.429 N/A LYS 176.A N GLU 172.A O no hydrogen 2.839 N/A LYS 177.A N TYR 173.A O no hydrogen 3.052 N/A LYS 177.A NZ GLU 149.A O no hydrogen 2.845 N/A LYS 177.A NZ GLU 181.A OE2 no hydrogen 2.754 N/A LYS 178.A N VAL 174.A O no hydrogen 2.838 N/A LYS 178.A NZ GLU 80.A OE2 no hydrogen 3.259 N/A LYS 178.A NZ GLU 158.A OE1 no hydrogen 2.736 N/A LYS 178.A NZ TYR 179.A OH no hydrogen 3.301 N/A TYR 179.A N CYS 175.A O no hydrogen 2.870 N/A GLY 180.A N CYS 175.A O no hydrogen 2.912 N/A GLU 181.A N LYS 176.A O no hydrogen 2.866 N/A HIS 183.A N TYR 179.A O no hydrogen 3.056 N/A ALA 184.A N GLY 180.A O no hydrogen 2.858 N/A CYS 185.A N GLU 181.A O no hydrogen 2.982 N/A GLY 186.A N MET 182.A O no hydrogen 2.806 N/A ALA 187.A N HIS 183.A O no hydrogen 3.058 N/A ALA 188.A N ALA 184.A O no hydrogen 2.880 N/A CYS 189.A N CYS 185.A O no hydrogen 2.804 N/A CYS 189.A SG CYS 185.A O no hydrogen 3.271 N/A GLY 190.A N GLY 186.A O no hydrogen 2.884 N/A ALA 191.A N ALA 187.A O no hydrogen 3.042 N/A ILE 192.A N ALA 188.A O no hydrogen 2.882 N/A LEU 193.A N CYS 189.A O no hydrogen 2.799 N/A GLY 194.A N GLY 190.A O no hydrogen 2.930 N/A GLY 195.A N ILE 192.A O no hydrogen 3.056 N/A ALA 196.A N ALA 191.A O no hydrogen 2.928 N/A ALA 197.A N GLU 200.A OE2 no hydrogen 2.920 N/A ILE 201.A N ALA 197.A O no hydrogen 3.144 N/A GLN 202.A N GLU 198.A O no hydrogen 2.990 N/A GLN 202.A NE2 ASN 206.A OD1 no hydrogen 2.994 N/A LYS 203.A N GLU 199.A O no hydrogen 3.136 N/A LEU 204.A N GLU 200.A O no hydrogen 2.790 N/A ARG 205.A N ILE 201.A O no hydrogen 2.578 N/A ARG 205.A NH1 GLU 141.A OE1 no hydrogen 2.919 N/A ARG 205.A NH1 GLU 141.A OE2 no hydrogen 3.463 N/A ARG 205.A NH2 GLU 141.A OE2 no hydrogen 2.760 N/A ASN 206.A N GLN 202.A O no hydrogen 2.808 N/A PHE 207.A N LYS 203.A O no hydrogen 2.958 N/A GLY 208.A N LEU 204.A O no hydrogen 2.939 N/A LEU 209.A N ARG 205.A O no hydrogen 2.954 N/A TYR 210.A N ASN 206.A O no hydrogen 3.060 N/A GLN 211.A N PHE 207.A O no hydrogen 2.739 N/A GLN 211.A NE2 HIS 183.A ND1 no hydrogen 2.740 N/A GLY 212.A N GLY 208.A O no hydrogen 2.746 N/A THR 213.A N LEU 209.A O no hydrogen 2.991 N/A THR 213.A OG1 LEU 209.A O no hydrogen 2.877 N/A LEU 214.A N TYR 210.A O no hydrogen 2.978 N/A ARG 215.A N GLN 211.A O no hydrogen 2.932 N/A ARG 215.A NH2 GLN 211.A OE1 no hydrogen 2.686 N/A GLY 216.A N GLY 212.A O no hydrogen 3.025 N/A MET 217.A N THR 213.A O no hydrogen 3.003 N/A MET 218.A N LEU 214.A O no hydrogen 2.958 N/A GLU 219.A N ARG 215.A O no hydrogen 3.099 N/A MET 220.A N GLY 216.A O no hydrogen 2.982 N/A MET 220.A N MET 217.A O no hydrogen 3.192 N/A LYS 221.A N MET 218.A O no hydrogen 3.140 N/A SER 223.A N MET 220.A O no hydrogen 2.886 N/A ASN 230.A ND2 ASP 228.A OD1 no hydrogen 2.597 N/A ASN 230.A ND2 ASP 228.A OD2 no hydrogen 3.252 N/A GLY 233.A N GLU 229.A O no hydrogen 2.780 N/A LYS 234.A N ASN 230.A O no hydrogen 3.110 N/A LYS 234.A NZ GLU 172.A OE1 no hydrogen 3.547 N/A LYS 234.A NZ GLU 172.A OE2 no hydrogen 3.371 N/A LEU 235.A N ILE 231.A O no hydrogen 3.288 N/A LYS 236.A N ILE 232.A O no hydrogen 3.152 N/A GLU 237.A N GLY 233.A O no hydrogen 2.990 N/A LEU 238.A N LYS 234.A O no hydrogen 3.338 N/A ALA 239.A N LEU 235.A O no hydrogen 2.897 N/A LEU 240.A N LYS 236.A O no hydrogen 2.757 N/A GLU 241.A N GLU 237.A O no hydrogen 2.981 N/A GLU 242.A N LEU 238.A O no hydrogen 3.251 N/A LEU 243.A N LEU 240.A O no hydrogen 2.795 N/A GLY 244.A N GLU 241.A O no hydrogen 3.162 N/A GLU 252.A N LYS 249.A O no hydrogen 2.933 N/A LEU 253.A N ASN 250.A O no hydrogen 3.083 N/A MET 254.A N ASN 250.A O no hydrogen 3.105 N/A SER 255.A OG ALA 251.A O no hydrogen 3.276 N/A SER 256.A N LEU 253.A O no hydrogen 3.177 N/A SER 256.A OG GLU 252.A O no hydrogen 3.541 N/A SER 256.A OG LEU 253.A O no hydrogen 2.691 N/A LEU 257.A N MET 254.A O no hydrogen 2.545 N/A VAL 258.A N SER 255.A O no hydrogen 2.968 N/A