Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3krr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASP 2.A OD2 no hydrogen 2.955 N/A THR 4.A OG1 ASP 2.A OD1 no hydrogen 3.513 N/A THR 4.A OG1 ASP 2.A OD2 no hydrogen 2.655 N/A GLN 5.A N ASP 2.A O no hydrogen 3.075 N/A PHE 6.A N VAL 78.A O no hydrogen 3.111 N/A GLU 7.A N TYR 30.A OH no hydrogen 3.174 N/A ARG 9.A N GLU 7.A OE2 no hydrogen 3.101 N/A HIS 10.A N GLU 7.A O no hydrogen 2.999 N/A LEU 11.A N GLU 8.A O no hydrogen 3.075 N/A LYS 12.A N ARG 29.A O no hydrogen 2.872 N/A LYS 12.A NZ ASP 31.A OD2 no hydrogen 2.817 N/A LEU 14.A N MET 27.A O no hydrogen 2.817 N/A GLN 15.A N MET 27.A O no hydrogen 3.173 N/A GLN 15.A NE2 GLN 16.A O no hydrogen 3.210 N/A LEU 17.A N VAL 25.A O no hydrogen 2.775 N/A GLY 18.A N VAL 25.A O no hydrogen 3.208 N/A GLY 20.A N GLY 23.A O no hydrogen 2.822 N/A GLY 23.A N GLY 20.A O no hydrogen 2.876 N/A SER 24.A N LYS 45.A O no hydrogen 2.973 N/A SER 24.A OG GLY 18.A O no hydrogen 3.436 N/A VAL 25.A N GLY 18.A O no hydrogen 2.967 N/A GLU 26.A N VAL 43.A O no hydrogen 2.828 N/A MET 27.A N GLN 15.A O no hydrogen 2.748 N/A CYS 28.A N VAL 41.A O no hydrogen 2.973 N/A ARG 29.A N LYS 12.A O no hydrogen 2.927 N/A ARG 29.A NH1 GLY 38.A O no hydrogen 2.933 N/A TYR 30.A N GLU 39.A O no hydrogen 2.853 N/A ASP 31.A N HIS 10.A O no hydrogen 2.944 N/A GLN 34.A N ASP 31.A O no hydrogen 2.973 N/A GLN 34.A NE2 HIS 10.A ND1 no hydrogen 3.687 N/A ASN 36.A N ASP 31.A OD2 no hydrogen 2.775 N/A THR 37.A N ASP 35.A OD1 no hydrogen 3.132 N/A THR 37.A OG1 ASP 35.A OD1 no hydrogen 2.579 N/A THR 37.A OG1 ASP 35.A OD2 no hydrogen 3.311 N/A GLY 38.A N ASP 31.A OD1 no hydrogen 2.877 N/A VAL 41.A N CYS 28.A O no hydrogen 2.844 N/A ALA 42.A N MET 91.A O no hydrogen 2.892 N/A VAL 43.A N GLU 26.A O no hydrogen 2.833 N/A LYS 44.A N LEU 89.A O no hydrogen 2.833 N/A LYS 44.A NZ GLU 60.A OE2 no hydrogen 2.657 N/A LYS 44.A NZ ASP 156.A OD1 no hydrogen 2.725 N/A LYS 45.A N SER 24.A O no hydrogen 2.950 N/A LYS 45.A NZ GLU 26.A OE2 no hydrogen 2.662 N/A GLN 47.A N PHE 22.A O no hydrogen 3.207 N/A GLN 47.A NE2 GLY 23.A O no hydrogen 2.811 N/A HIS 53.A N THR 50.A OG1 no hydrogen 3.174 N/A LEU 54.A N THR 50.A O no hydrogen 2.886 N/A ARG 55.A N GLU 51.A O no hydrogen 2.988 N/A ASP 56.A N GLU 52.A O no hydrogen 3.158 N/A PHE 57.A N HIS 53.A O no hydrogen 2.875 N/A GLU 58.A N LEU 54.A O no hydrogen 2.983 N/A ARG 59.A N ARG 55.A O no hydrogen 3.272 N/A GLU 60.A N ASP 56.A O no hydrogen 3.035 N/A ILE 61.A N PHE 57.A O no hydrogen 2.880 N/A GLU 62.A N GLU 58.A O no hydrogen 3.063 N/A ILE 63.A N ARG 59.A O no hydrogen 2.848 N/A LEU 64.A N GLU 60.A O no hydrogen 2.955 N/A LYS 65.A N ILE 61.A O no hydrogen 2.885 N/A LYS 65.A NZ GLU 62.A OE2 no hydrogen 3.010 N/A SER 66.A N GLU 62.A O no hydrogen 3.094 N/A SER 66.A N ILE 63.A O no hydrogen 3.110 N/A SER 66.A OG GLU 62.A O no hydrogen 3.559 N/A SER 66.A OG ILE 63.A O no hydrogen 2.610 N/A SER 66.A OG TYR 134.A OH no hydrogen 2.673 N/A LEU 67.A N LEU 64.A O no hydrogen 3.088 N/A GLN 68.A N TYR 128.A OH no hydrogen 2.902 N/A ASN 71.A N HIS 69.A ND1 no hydrogen 3.022 N/A ASN 71.A ND2 VAL 152.A O no hydrogen 3.084 N/A ILE 72.A N HIS 69.A O no hydrogen 3.140 N/A VAL 73.A N ILE 154.A O no hydrogen 3.001 N/A LYS 74.A N GLU 92.A OE2 no hydrogen 2.899 N/A LYS 76.A N ILE 90.A O no hydrogen 2.882 N/A LYS 76.A NZ GLU 39.A OE1 no hydrogen 2.699 N/A LYS 76.A NZ GLU 39.A OE2 no hydrogen 3.437 N/A GLY 77.A N ILE 90.A O no hydrogen 3.151 N/A VAL 78.A N THR 4.A O no hydrogen 2.955 N/A CYS 79.A N LYS 88.A O no hydrogen 2.857 N/A CYS 79.A SG PHE 6.A O no hydrogen 3.479 N/A SER 81.A N ASN 86.A O no hydrogen 2.976 N/A SER 81.A OG ALA 82.A O no hydrogen 3.340 N/A ARG 84.A NH1 SER 49.A OG no hydrogen 2.871 N/A ARG 84.A NH2 SER 49.A OG no hydrogen 2.910 N/A ARG 85.A NH1 GLU 58.A OE1 no hydrogen 2.864 N/A ARG 85.A NH2 GLU 58.A OE1 no hydrogen 3.533 N/A ARG 85.A NH2 GLU 58.A OE2 no hydrogen 2.796 N/A ASN 86.A N SER 81.A OG no hydrogen 2.898 N/A LYS 88.A N CYS 79.A O no hydrogen 3.023 N/A LEU 89.A N LYS 44.A O no hydrogen 2.919 N/A ILE 90.A N GLY 77.A O no hydrogen 2.879 N/A MET 91.A N ALA 42.A O no hydrogen 2.776 N/A GLU 92.A N LYS 74.A O no hydrogen 3.077 N/A TYR 96.A OH GLU 149.A OE2 no hydrogen 3.172 N/A GLY 97.A N LEU 94.A O no hydrogen 3.276 N/A LEU 99.A N ILE 144.A O no hydrogen 2.775 N/A ARG 100.A N THR 141.A O no hydrogen 3.264 N/A ASP 101.A N SER 98.A OG no hydrogen 3.025 N/A TYR 102.A N SER 98.A O no hydrogen 2.953 N/A LEU 103.A N LEU 99.A O no hydrogen 2.947 N/A GLN 104.A N ARG 100.A O no hydrogen 3.103 N/A LYS 105.A N ASP 101.A O no hydrogen 2.942 N/A HIS 106.A N TYR 102.A O no hydrogen 2.873 N/A LYS 107.A NZ TYR 210.A O no hydrogen 2.874 N/A ARG 109.A N HIS 106.A O no hydrogen 2.911 N/A LYS 114.A N ASP 111.A OD1 no hydrogen 3.081 N/A LYS 114.A NZ GLN 117.A OE1 no hydrogen 2.911 N/A LYS 114.A NZ GLU 149.A O no hydrogen 3.076 N/A LEU 115.A N ASP 111.A O no hydrogen 3.015 N/A LEU 116.A N HIS 112.A O no hydrogen 2.895 N/A GLN 117.A N ILE 113.A O no hydrogen 3.072 N/A TYR 118.A N LYS 114.A O no hydrogen 3.109 N/A TYR 118.A OH GLU 149.A O no hydrogen 2.791 N/A THR 119.A N LEU 115.A O no hydrogen 2.883 N/A THR 119.A OG1 LEU 115.A O no hydrogen 2.805 N/A SER 120.A N LEU 116.A O no hydrogen 2.885 N/A SER 120.A OG ASP 284.A OD1 no hydrogen 2.667 N/A GLN 121.A N GLN 117.A O no hydrogen 3.049 N/A GLN 121.A NE2 ASN 150.A O no hydrogen 2.861 N/A ILE 122.A N TYR 118.A O no hydrogen 2.913 N/A CYS 123.A N THR 119.A O no hydrogen 2.933 N/A CYS 123.A SG THR 119.A O no hydrogen 3.426 N/A LYS 124.A N SER 120.A O no hydrogen 2.952 N/A LYS 124.A NZ SER 120.A OG no hydrogen 3.288 N/A LYS 124.A NZ ASP 284.A OD2 no hydrogen 2.922 N/A GLY 125.A N GLN 121.A O no hydrogen 2.998 N/A MET 126.A N ILE 122.A O no hydrogen 3.037 N/A GLU 127.A N CYS 123.A O no hydrogen 2.862 N/A TYR 128.A N LYS 124.A O no hydrogen 3.066 N/A LEU 129.A N GLY 125.A O no hydrogen 3.014 N/A GLY 130.A N MET 126.A O no hydrogen 2.957 N/A THR 131.A N GLU 127.A O no hydrogen 3.184 N/A THR 131.A N TYR 128.A O no hydrogen 2.928 N/A THR 131.A OG1 TYR 128.A O no hydrogen 2.566 N/A LYS 132.A N LEU 129.A O no hydrogen 3.102 N/A ARG 133.A N GLY 130.A O no hydrogen 3.022 N/A ARG 133.A NH1 GLU 168.A OE1 no hydrogen 3.112 N/A ARG 133.A NH1 GLU 168.A OE2 no hydrogen 3.120 N/A ARG 133.A NH2 PRO 164.A O no hydrogen 2.968 N/A ARG 133.A NH2 LYS 167.A O no hydrogen 2.748 N/A ARG 133.A NH2 GLU 168.A OE2 no hydrogen 3.365 N/A TYR 134.A N LEU 129.A O no hydrogen 3.343 N/A TYR 134.A OH SER 66.A OG no hydrogen 2.673 N/A ILE 135.A N LYS 161.A O no hydrogen 2.801 N/A HIS 136.A N ASP 196.A OD2 no hydrogen 2.807 N/A HIS 136.A NE2 ASP 156.A O no hydrogen 2.752 N/A ARG 137.A N ASP 196.A OD1 no hydrogen 2.916 N/A ARG 137.A NH1 LEU 159.A O no hydrogen 3.021 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.162 N/A THR 141.A N GLU 206.A OE2 no hydrogen 2.973 N/A THR 141.A OG1 GLU 206.A OE1 no hydrogen 2.759 N/A ASN 143.A N ALA 140.A O no hydrogen 3.016 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.722 N/A ILE 144.A N THR 141.A O no hydrogen 3.295 N/A LEU 145.A N LYS 153.A O no hydrogen 2.722 N/A VAL 146.A N GLY 97.A O no hydrogen 2.771 N/A GLU 147.A N ARG 151.A O no hydrogen 2.975 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.854 N/A ASN 150.A N ASN 148.A OD1 no hydrogen 2.722 N/A ARG 151.A N ASN 148.A O no hydrogen 3.207 N/A ARG 151.A NE GLU 147.A OE1 no hydrogen 2.707 N/A ARG 151.A NH2 GLU 147.A OE1 no hydrogen 2.731 N/A ARG 151.A NH2 GLU 147.A OE2 no hydrogen 3.542 N/A VAL 152.A N GLN 121.A OE1 no hydrogen 2.836 N/A LYS 153.A N LEU 145.A O no hydrogen 2.862 N/A LYS 153.A NZ GLU 92.A OE1 no hydrogen 3.561 N/A LYS 153.A NZ GLU 92.A OE2 no hydrogen 2.678 N/A ILE 154.A N ASN 71.A O no hydrogen 2.918 N/A GLY 155.A N ASN 143.A O no hydrogen 2.856 N/A GLY 158.A N ASP 156.A OD2 no hydrogen 3.008 N/A THR 160.A N PHE 157.A O no hydrogen 3.083 N/A THR 160.A OG1 HIS 136.A O no hydrogen 3.541 N/A THR 160.A OG1 PHE 157.A O no hydrogen 3.369 N/A LYS 161.A N ILE 135.A O no hydrogen 2.891 N/A LEU 163.A N ARG 133.A O no hydrogen 2.993 N/A ASP 166.A N ASP 166.A OD1 no hydrogen 2.570 N/A LYS 167.A N PRO 164.A O no hydrogen 3.388 N/A VAL 170.A N SER 189.A O no hydrogen 3.015 N/A SER 176.A OG GLY 174.A O no hydrogen 3.075 N/A ILE 178.A N SER 176.A O no hydrogen 2.853 N/A TRP 180.A N PRO 177.A O no hydrogen 2.980 N/A TRP 180.A NE1 GLU 206.A OE2 no hydrogen 2.970 N/A TYR 181.A N ILE 178.A O no hydrogen 3.171 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 2.810 N/A SER 185.A N ALA 182.A O no hydrogen 3.014 N/A SER 185.A OG LYS 190.A O no hydrogen 2.855 N/A LEU 186.A N ALA 182.A O no hydrogen 3.099 N/A THR 187.A N PRO 183.A O no hydrogen 2.926 N/A THR 187.A OG1 PRO 183.A O no hydrogen 3.140 N/A GLU 188.A N GLU 184.A O no hydrogen 2.990 N/A SER 189.A N SER 185.A O no hydrogen 3.058 N/A LYS 190.A N GLU 184.A O no hydrogen 3.438 N/A SER 192.A N SER 195.A OG no hydrogen 2.849 N/A SER 195.A N SER 192.A OG no hydrogen 3.215 N/A SER 195.A OG SER 192.A O no hydrogen 2.997 N/A ASP 196.A N SER 192.A O no hydrogen 3.073 N/A VAL 197.A N VAL 193.A O no hydrogen 2.937 N/A TRP 198.A N ALA 194.A O no hydrogen 3.094 N/A SER 199.A N SER 195.A O no hydrogen 3.028 N/A SER 199.A OG TRP 180.A O no hydrogen 2.800 N/A SER 199.A OG SER 195.A O no hydrogen 3.222 N/A PHE 200.A N ASP 196.A O no hydrogen 2.878 N/A GLY 201.A N VAL 197.A O no hydrogen 3.073 N/A VAL 202.A N TRP 198.A O no hydrogen 3.343 N/A VAL 203.A N SER 199.A O no hydrogen 2.980 N/A LEU 204.A N PHE 200.A O no hydrogen 2.956 N/A TYR 205.A N GLY 201.A O no hydrogen 3.052 N/A TYR 205.A OH LYS 215.A O no hydrogen 2.609 N/A GLU 206.A N VAL 202.A O no hydrogen 2.829 N/A LEU 207.A N VAL 203.A O no hydrogen 2.945 N/A PHE 208.A N LEU 204.A O no hydrogen 3.090 N/A THR 209.A N TYR 205.A O no hydrogen 2.973 N/A THR 209.A N GLU 206.A O no hydrogen 3.305 N/A THR 209.A OG1 TYR 205.A O no hydrogen 3.334 N/A THR 209.A OG1 GLU 206.A O no hydrogen 2.796 N/A TYR 210.A N LEU 207.A O no hydrogen 2.995 N/A TYR 210.A OH ILE 110.A O no hydrogen 2.659 N/A ILE 211.A N GLU 206.A O no hydrogen 3.350 N/A GLU 212.A N THR 209.A O no hydrogen 3.087 N/A LYS 215.A N GLU 212.A O no hydrogen 2.932 N/A SER 216.A N LYS 213.A O no hydrogen 3.219 N/A SER 216.A OG LYS 213.A O no hydrogen 3.304 N/A ALA 219.A N SER 216.A OG no hydrogen 3.208 N/A GLU 220.A N SER 216.A O no hydrogen 2.943 N/A PHE 221.A N PRO 217.A O no hydrogen 2.973 N/A MET 222.A N PRO 218.A O no hydrogen 2.983 N/A ARG 223.A N ALA 219.A O no hydrogen 3.005 N/A ARG 223.A NE GLU 220.A OE2 no hydrogen 3.080 N/A ARG 223.A NH2 GLU 220.A OE1 no hydrogen 2.951 N/A MET 224.A N GLU 220.A O no hydrogen 2.961 N/A ILE 225.A N PHE 221.A O no hydrogen 2.945 N/A GLY 226.A N MET 222.A O no hydrogen 2.792 N/A LYS 229.A N GLY 226.A O no hydrogen 3.127 N/A LYS 229.A NZ ILE 225.A O no hydrogen 2.757 N/A LYS 229.A NZ ASP 228.A OD1 no hydrogen 3.222 N/A LYS 229.A NZ ASP 228.A OD2 no hydrogen 2.957 N/A MET 233.A N GLN 230.A O no hydrogen 3.096 N/A ILE 234.A N GLY 231.A O no hydrogen 2.882 N/A PHE 236.A N GLN 232.A O no hydrogen 3.214 N/A HIS 237.A N MET 233.A O no hydrogen 3.060 N/A HIS 237.A ND1 MET 233.A O no hydrogen 2.920 N/A LEU 238.A N ILE 234.A O no hydrogen 2.866 N/A ILE 239.A N VAL 235.A O no hydrogen 2.989 N/A GLU 240.A N PHE 236.A O no hydrogen 3.208 N/A LEU 241.A N HIS 237.A O no hydrogen 2.896 N/A LEU 242.A N LEU 238.A O no hydrogen 2.942 N/A LYS 243.A N ILE 239.A O no hydrogen 2.988 N/A LYS 243.A NZ GLU 240.A OE1 no hydrogen 2.932 N/A LYS 243.A NZ GLU 240.A OE2 no hydrogen 3.458 N/A ASN 244.A N GLU 240.A O no hydrogen 3.241 N/A ASN 244.A N LEU 241.A O no hydrogen 3.142 N/A ASN 244.A ND2 GLU 240.A O no hydrogen 2.746 N/A ASN 245.A N LEU 242.A O no hydrogen 3.106 N/A GLY 246.A N LEU 241.A O no hydrogen 2.869 N/A ARG 247.A NE TRP 266.A O no hydrogen 2.919 N/A ARG 247.A NH1 LEU 242.A O no hydrogen 2.905 N/A ARG 247.A NH1 GLY 246.A O no hydrogen 2.872 N/A ARG 247.A NH2 TRP 266.A O no hydrogen 2.840 N/A ARG 247.A NH2 ASN 268.A OD1 no hydrogen 2.971 N/A ARG 250.A NH1 CYS 254.A O no hydrogen 3.217 N/A ARG 250.A NH1 ASP 256.A OD1 no hydrogen 2.603 N/A CYS 254.A N PRO 251.A O no hydrogen 3.040 N/A CYS 254.A SG PRO 255.A O no hydrogen 3.548 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.961 N/A ILE 258.A N PRO 255.A O no hydrogen 3.109 N/A TYR 259.A N PRO 255.A O no hydrogen 3.008 N/A MET 260.A N ASP 256.A O no hydrogen 2.828 N/A ILE 261.A N GLU 257.A O no hydrogen 3.435 N/A MET 262.A N ILE 258.A O no hydrogen 3.084 N/A THR 263.A N TYR 259.A O no hydrogen 3.025 N/A THR 263.A OG1 TYR 259.A O no hydrogen 3.527 N/A THR 263.A OG1 MET 260.A O no hydrogen 2.893 N/A GLU 264.A N MET 260.A O no hydrogen 3.060 N/A CYS 265.A N ILE 261.A O no hydrogen 3.077 N/A CYS 265.A SG ILE 261.A O no hydrogen 3.385 N/A TRP 266.A N MET 262.A O no hydrogen 3.197 N/A TRP 266.A N THR 263.A O no hydrogen 3.244 N/A ASN 267.A ND2 GLN 272.A OE1 no hydrogen 2.978 N/A ASN 268.A ND2 LEU 242.A O no hydrogen 3.113 N/A ASN 269.A N ASN 267.A OD1 no hydrogen 2.872 N/A ASN 271.A N ASN 269.A OD1 no hydrogen 3.049 N/A GLN 272.A N ASN 269.A O no hydrogen 3.054 N/A ARG 273.A N VAL 270.A O no hydrogen 3.363 N/A ARG 273.A NE ASN 267.A O no hydrogen 2.811 N/A ARG 273.A NH1 GLU 184.A OE2 no hydrogen 2.849 N/A ARG 273.A NH1 ALA 194.A O no hydrogen 2.998 N/A ARG 273.A NH2 GLU 184.A OE1 no hydrogen 2.886 N/A ARG 273.A NH2 GLU 184.A OE2 no hydrogen 3.569 N/A ARG 273.A NH2 ASN 267.A O no hydrogen 3.011 N/A ASP 278.A N SER 275.A OG no hydrogen 3.113 N/A LEU 279.A N SER 275.A O no hydrogen 2.897 N/A ALA 280.A N PHE 276.A O no hydrogen 3.007 N/A LEU 281.A N ARG 277.A O no hydrogen 3.202 N/A ARG 282.A N ASP 278.A O no hydrogen 2.907 N/A ARG 282.A NH1 GLU 264.A OE1 no hydrogen 2.761 N/A ARG 282.A NH2 GLU 264.A OE2 no hydrogen 2.914 N/A VAL 283.A N LEU 279.A O no hydrogen 2.861 N/A ASP 284.A N ALA 280.A O no hydrogen 2.999 N/A GLN 285.A N LEU 281.A O no hydrogen 2.941 N/A GLN 285.A NE2 GLN 285.A O no hydrogen 3.253 N/A GLN 285.A NE2 ASN 289.A OD1 no hydrogen 2.835 N/A ILE 286.A N ARG 282.A O no hydrogen 2.993 N/A ARG 287.A N VAL 283.A O no hydrogen 2.964 N/A ARG 287.A NH1 ASP 284.A OD1 no hydrogen 2.919 N/A ASP 288.A N ASP 284.A O no hydrogen 3.002 N/A ASN 289.A N GLN 285.A O no hydrogen 2.851 N/A MET 290.A N ILE 286.A O no hydrogen 2.890 N/A ALA 291.A N ARG 287.A O no hydrogen 2.769 N/A