Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3krb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE TYR 252.A O no hydrogen 2.885 N/A ARG 7.A NH1 VAL 244.A O no hydrogen 3.039 N/A ARG 7.A NH2 TRP 247.A O no hydrogen 2.663 N/A ARG 7.A NH2 TYR 252.A O no hydrogen 3.060 N/A GLY 9.A N VAL 254.A O no hydrogen 2.708 N/A GLY 11.A N PRO 256.A O no hydrogen 3.034 N/A THR 12.A OG1 ASP 36.A O no hydrogen 2.765 N/A GLN 14.A NE2 SER 210.A O no hydrogen 3.329 N/A ALA 15.A N THR 12.A O no hydrogen 3.425 N/A ALA 19.A N PRO 16.A O no hydrogen 2.868 N/A VAL 20.A N PRO 16.A O no hydrogen 2.906 N/A GLN 21.A NE2 GLU 25.A OE2 no hydrogen 2.861 N/A ALA 23.A N ALA 19.A O no hydrogen 3.058 N/A VAL 24.A N VAL 20.A O no hydrogen 2.880 N/A GLU 25.A N GLN 21.A O no hydrogen 2.998 N/A THR 26.A N THR 22.A O no hydrogen 2.893 N/A THR 26.A OG1 THR 22.A O no hydrogen 2.787 N/A ALA 27.A N ALA 23.A O no hydrogen 2.882 N/A LEU 28.A N VAL 24.A O no hydrogen 2.861 N/A MET 29.A N GLU 25.A O no hydrogen 2.934 N/A THR 30.A N THR 26.A O no hydrogen 2.872 N/A THR 30.A OG1 THR 26.A O no hydrogen 2.669 N/A GLY 31.A N ALA 27.A O no hydrogen 3.101 N/A GLY 31.A N LEU 28.A O no hydrogen 3.164 N/A TYR 32.A N ALA 27.A O no hydrogen 3.037 N/A TYR 32.A OH ILE 264.A O no hydrogen 2.726 N/A ARG 33.A NH1 LEU 28.A O no hydrogen 2.814 N/A ARG 33.A NH1 TYR 32.A O no hydrogen 2.917 N/A HIS 34.A ND1 PRO 6.A O no hydrogen 2.853 N/A ILE 35.A N TRP 68.A O no hydrogen 2.898 N/A ASP 36.A N PHE 10.A O no hydrogen 2.764 N/A CYS 37.A N THR 70.A O no hydrogen 2.859 N/A TYR 39.A OH TYR 76.A OH no hydrogen 2.518 N/A TYR 41.A N ALA 38.A O no hydrogen 3.041 N/A GLN 42.A N TYR 39.A O no hydrogen 3.182 N/A ASN 43.A ND2 THR 12.A O no hydrogen 2.976 N/A ASN 43.A ND2 ALA 15.A O no hydrogen 2.931 N/A ILE 47.A N ASN 43.A O no hydrogen 3.148 N/A GLY 48.A N GLU 44.A O no hydrogen 2.807 N/A ARG 49.A N GLU 45.A O no hydrogen 3.138 N/A ARG 49.A NE GLN 21.A OE1 no hydrogen 2.970 N/A ARG 49.A NH2 GLN 21.A OE1 no hydrogen 3.323 N/A ALA 50.A N ALA 46.A O no hydrogen 3.375 N/A PHE 51.A N ILE 47.A O no hydrogen 2.993 N/A GLY 52.A N GLY 48.A O no hydrogen 2.765 N/A LYS 53.A N ARG 49.A O no hydrogen 3.010 N/A LYS 53.A NZ GLU 25.A OE1 no hydrogen 3.465 N/A LYS 53.A NZ GLU 25.A OE2 no hydrogen 3.010 N/A ILE 54.A N ALA 50.A O no hydrogen 3.093 N/A PHE 55.A N PHE 51.A O no hydrogen 2.777 N/A LYS 56.A N GLY 52.A O no hydrogen 3.012 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.799 N/A SER 60.A N ASP 57.A O no hydrogen 3.120 N/A SER 60.A OG ILE 54.A O no hydrogen 2.868 N/A SER 60.A OG ASP 57.A O no hydrogen 2.997 N/A SER 60.A OG ILE 62.A O no hydrogen 3.317 N/A ILE 62.A N SER 60.A OG no hydrogen 3.180 N/A LYS 63.A N ASP 66.A OD2 no hydrogen 2.993 N/A ARG 64.A NH1 ARG 64.A O no hydrogen 2.946 N/A ARG 64.A NH1 VAL 67.A O no hydrogen 2.819 N/A ARG 64.A NH1 ASP 100.A OD2 no hydrogen 3.096 N/A ARG 64.A NH2 TYR 98.A O no hydrogen 2.811 N/A ARG 64.A NH2 ASP 100.A OD2 no hydrogen 2.948 N/A ASP 66.A N LYS 63.A O no hydrogen 2.944 N/A VAL 67.A N ARG 64.A O no hydrogen 3.151 N/A TRP 68.A N ARG 33.A O no hydrogen 2.787 N/A TRP 68.A NE1 THR 70.A OG1 no hydrogen 3.103 N/A ILE 69.A N ASP 100.A OD2 no hydrogen 2.791 N/A THR 70.A N ILE 35.A O no hydrogen 3.085 N/A SER 71.A N LEU 101.A O no hydrogen 3.042 N/A SER 71.A OG GLU 44.A OE2 no hydrogen 2.492 N/A LYS 72.A N SER 71.A OG no hydrogen 2.770 N/A LYS 72.A NZ ASP 36.A OD1 no hydrogen 3.544 N/A LYS 72.A NZ ASP 36.A OD2 no hydrogen 2.653 N/A LYS 72.A NZ CYS 37.A O no hydrogen 2.978 N/A LYS 72.A NZ TYR 41.A OH no hydrogen 2.974 N/A LEU 73.A N LEU 103.A O no hydrogen 2.725 N/A TRP 74.A N GLN 86.A OE1 no hydrogen 2.787 N/A TRP 74.A NE1 LEU 118.A O no hydrogen 2.828 N/A TYR 76.A OH TYR 39.A OH no hydrogen 2.518 N/A ASN 77.A N TRP 74.A O no hydrogen 2.958 N/A ASN 77.A ND2 GLN 86.A OE1 no hydrogen 2.962 N/A ARG 79.A NE GLU 81.A OE2 no hydrogen 3.000 N/A ARG 79.A NH1 GLU 130.A OE1 no hydrogen 2.558 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.776 N/A LEU 82.A N ARG 79.A O no hydrogen 2.910 N/A VAL 83.A N PRO 80.A O no hydrogen 3.138 N/A ARG 84.A NE GLU 147.A OE1 no hydrogen 2.827 N/A ARG 84.A NE GLU 147.A OE2 no hydrogen 3.455 N/A ARG 84.A NH2 GLU 147.A OE2 no hydrogen 2.943 N/A GLN 86.A N LEU 82.A O no hydrogen 3.121 N/A GLN 86.A NE2 LYS 72.A O no hydrogen 3.024 N/A GLN 86.A NE2 THR 90.A OG1 no hydrogen 3.268 N/A CYS 87.A N VAL 83.A O no hydrogen 2.935 N/A LYS 88.A N ARG 84.A O no hydrogen 2.930 N/A LYS 89.A N GLU 85.A O no hydrogen 2.985 N/A LYS 89.A NZ ASP 93.A OD1 no hydrogen 3.378 N/A LYS 89.A NZ ASP 93.A OD2 no hydrogen 2.918 N/A THR 90.A N GLN 86.A O no hydrogen 2.833 N/A THR 90.A OG1 GLU 44.A OE1 no hydrogen 2.795 N/A THR 90.A OG1 GLN 86.A O no hydrogen 3.472 N/A MET 91.A N CYS 87.A O no hydrogen 2.965 N/A SER 92.A N LYS 88.A O no hydrogen 2.848 N/A ASP 93.A N LYS 89.A O no hydrogen 2.873 N/A LEU 94.A N THR 90.A O no hydrogen 2.861 N/A GLN 95.A N SER 92.A O no hydrogen 3.124 N/A VAL 96.A N MET 91.A O no hydrogen 3.110 N/A LEU 99.A N LEU 149.A O no hydrogen 3.110 N/A ASP 100.A N ILE 69.A O no hydrogen 3.098 N/A LEU 101.A N ILE 69.A O no hydrogen 3.279 N/A PHE 102.A N HIS 152.A O no hydrogen 3.004 N/A LEU 103.A N SER 71.A O no hydrogen 2.904 N/A VAL 104.A N GLY 154.A O no hydrogen 2.949 N/A HIS 105.A N LEU 73.A O no hydrogen 3.181 N/A PHE 110.A N ASN 75.A O no hydrogen 2.905 N/A VAL 111.A N MET 128.A O no hydrogen 2.987 N/A ARG 112.A NH1 ASN 77.A OD1 no hydrogen 2.738 N/A ASN 113.A ND2 ASP 117.A OD2 no hydrogen 3.025 N/A GLY 116.A N ASN 113.A O no hydrogen 3.117 N/A GLY 116.A N ASN 113.A OD1 no hydrogen 2.849 N/A ASP 117.A N ASN 113.A OD1 no hydrogen 3.016 N/A LYS 121.A NZ PHE 300.A O no hydrogen 3.082 N/A ASP 122.A N ARG 126.A O no hydrogen 3.017 N/A GLU 124.A N ASP 122.A OD2 no hydrogen 3.121 N/A GLY 125.A N ASP 122.A O no hydrogen 2.961 N/A ARG 126.A N ASP 122.A OD2 no hydrogen 3.111 N/A ARG 126.A NE LYS 302.A O no hydrogen 3.034 N/A ALA 127.A N TRP 301.A O no hydrogen 2.909 N/A MET 128.A N PRO 120.A O no hydrogen 2.873 N/A GLU 130.A N ALA 109.A O no hydrogen 2.785 N/A VAL 132.A N GLU 130.A O no hydrogen 3.028 N/A ASP 136.A N PRO 133.A O no hydrogen 3.100 N/A THR 137.A N PRO 133.A O no hydrogen 3.465 N/A THR 137.A OG1 HIS 78.A O no hydrogen 2.713 N/A TRP 138.A N LEU 134.A O no hydrogen 2.941 N/A TRP 138.A NE1 ILE 172.A O no hydrogen 3.149 N/A ARG 139.A N ALA 135.A O no hydrogen 2.949 N/A ALA 140.A N ASP 136.A O no hydrogen 3.253 N/A MET 141.A N THR 137.A O no hydrogen 3.013 N/A GLU 142.A N TRP 138.A O no hydrogen 2.846 N/A GLN 143.A N ARG 139.A O no hydrogen 3.207 N/A GLN 143.A NE2 ARG 139.A O no hydrogen 3.246 N/A LEU 144.A N MET 141.A O no hydrogen 3.066 N/A VAL 145.A N GLU 142.A O no hydrogen 3.064 N/A GLU 146.A N GLU 142.A O no hydrogen 3.145 N/A GLU 147.A N GLN 143.A O no hydrogen 2.960 N/A GLY 148.A N LEU 144.A O no hydrogen 3.124 N/A GLY 148.A N VAL 145.A O no hydrogen 3.113 N/A LEU 149.A N LEU 144.A O no hydrogen 3.053 N/A VAL 150.A N LEU 144.A O no hydrogen 3.476 N/A LYS 151.A N LEU 99.A O no hydrogen 2.940 N/A GLY 154.A N PHE 102.A O no hydrogen 3.051 N/A VAL 155.A N VAL 176.A O no hydrogen 3.027 N/A SER 156.A OG HIS 105.A O no hydrogen 3.433 N/A SER 156.A OG GLN 178.A O no hydrogen 2.756 N/A ASN 157.A N GLN 178.A O no hydrogen 2.999 N/A ASN 157.A ND2 HIS 105.A O no hydrogen 2.964 N/A TYR 158.A N ASN 177.A OD1 no hydrogen 3.387 N/A LEU 163.A N THR 159.A O no hydrogen 2.941 N/A ALA 164.A N VAL 160.A O no hydrogen 2.880 N/A ASP 165.A N PRO 161.A O no hydrogen 2.969 N/A LEU 166.A N LEU 162.A O no hydrogen 2.939 N/A LEU 167.A N LEU 163.A O no hydrogen 2.928 N/A ASN 168.A N ALA 164.A O no hydrogen 3.274 N/A ASN 168.A N ASP 165.A O no hydrogen 2.957 N/A TYR 169.A N LEU 166.A O no hydrogen 3.146 N/A ALA 170.A N LEU 166.A O no hydrogen 2.775 N/A LYS 171.A N GLU 142.A OE2 no hydrogen 2.746 N/A ILE 172.A N GLU 142.A OE2 no hydrogen 2.851 N/A LYS 173.A NZ.A ALA 170.A O no hydrogen 2.877 N/A LYS 173.A NZ.B ASN 197.A O no hydrogen 2.891 N/A LEU 175.A N ILE 153.A O no hydrogen 2.836 N/A ASN 177.A N GLY 200.A O no hydrogen 2.887 N/A ASN 177.A ND2 TYR 158.A O no hydrogen 2.935 N/A GLN 178.A N VAL 155.A O no hydrogen 2.920 N/A ILE 179.A N THR 202.A O no hydrogen 2.941 N/A ILE 181.A N TYR 204.A O no hydrogen 3.187 N/A HIS 182.A N HIS 185.A O no hydrogen 3.185 N/A HIS 182.A NE2 GLU 180.A OE2 no hydrogen 2.756 N/A TRP 184.A N HIS 182.A ND1 no hydrogen 3.160 N/A HIS 185.A N HIS 182.A O no hydrogen 2.926 N/A HIS 185.A ND1 GLU 180.A O no hydrogen 3.121 N/A ASN 187.A ND2 GLU 180.A O no hydrogen 2.824 N/A VAL 191.A N ASN 187.A O no hydrogen 3.079 N/A LYS 192.A N ASP 188.A O no hydrogen 2.924 N/A LYS 192.A NZ ASP 196.A OD2 no hydrogen 2.533 N/A PHE 193.A N ALA 189.A O no hydrogen 2.890 N/A CYS 194.A N THR 190.A O no hydrogen 2.961 N/A CYS 194.A SG THR 190.A O no hydrogen 3.392 N/A LEU 195.A N VAL 191.A O no hydrogen 2.949 N/A ASP 196.A N LYS 192.A O no hydrogen 2.852 N/A ASN 197.A N PHE 193.A O no hydrogen 3.151 N/A ASN 197.A N CYS 194.A O no hydrogen 3.010 N/A ASN 197.A ND2 PHE 193.A O no hydrogen 2.810 N/A GLY 198.A N LEU 195.A O no hydrogen 3.044 N/A ILE 199.A N CYS 194.A O no hydrogen 2.865 N/A GLY 200.A N LEU 175.A O no hydrogen 2.832 N/A VAL 201.A N MET 251.A O no hydrogen 2.912 N/A THR 202.A N ASN 177.A O no hydrogen 3.124 N/A THR 202.A OG1 SER 253.A OG no hydrogen 3.303 N/A ALA 203.A N SER 253.A O no hydrogen 2.822 N/A TYR 204.A N ILE 179.A O no hydrogen 2.910 N/A TYR 204.A OH ASN 157.A OD1 no hydrogen 2.595 N/A SER 205.A OG TYR 211.A OH no hydrogen 2.650 N/A GLY 208.A N SER 205.A O no hydrogen 2.869 N/A SER 210.A OG GLN 214.A OE1 no hydrogen 2.701 N/A TYR 211.A N LYS 215.A O no hydrogen 2.971 N/A TYR 211.A OH SER 205.A OG no hydrogen 2.650 N/A GLN 214.A NE2 GLN 14.A OE1 no hydrogen 2.986 N/A LYS 215.A N TYR 211.A O no hydrogen 2.790 N/A ASN 216.A ND2 GLY 209.A O no hydrogen 3.197 N/A LEU 219.A N ASN 216.A O no hydrogen 3.064 N/A GLU 220.A N VAL 217.A O no hydrogen 3.165 N/A CYS 221.A N ILE 218.A O no hydrogen 3.192 N/A LYS 225.A N CYS 221.A O no hydrogen 3.164 N/A LYS 225.A NZ ASP 229.A OD1 no hydrogen 3.392 N/A LYS 225.A NZ ASP 229.A OD2 no hydrogen 2.774 N/A ALA 226.A N LYS 222.A O no hydrogen 2.874 N/A ILE 227.A N THR 223.A O no hydrogen 3.147 N/A ALA 228.A N LEU 224.A O no hydrogen 2.990 N/A ASP 229.A N LYS 225.A O no hydrogen 2.841 N/A ALA 230.A N ALA 226.A O no hydrogen 3.128 N/A LYS 231.A N ILE 227.A O no hydrogen 3.093 N/A LYS 231.A N ALA 228.A O no hydrogen 3.126 N/A LYS 231.A NZ GLN 274.A O no hydrogen 2.600 N/A LYS 231.A NZ ASP 279.A OD2 no hydrogen 2.584 N/A GLY 232.A N ASP 229.A O no hydrogen 3.328 N/A THR 233.A N ALA 228.A O no hydrogen 2.936 N/A SER 234.A N THR 233.A OG1 no hydrogen 2.746 N/A CYS 237.A N SER 234.A OG no hydrogen 2.982 N/A CYS 237.A SG SER 234.A OG no hydrogen 3.550 N/A CYS 237.A SG ALA 266.A O no hydrogen 3.277 N/A CYS 237.A SG ASN 267.A O no hydrogen 4.038 N/A VAL 238.A N SER 234.A O no hydrogen 3.072 N/A ALA 239.A N PRO 235.A O no hydrogen 2.824 N/A LEU 240.A N HIS 236.A O no hydrogen 3.018 N/A ALA 241.A N CYS 237.A O no hydrogen 2.878 N/A TRP 242.A N VAL 238.A O no hydrogen 2.945 N/A TRP 242.A NE1 ASN 284.A OD1 no hydrogen 2.869 N/A HIS 243.A N ALA 239.A O no hydrogen 3.209 N/A HIS 243.A ND1 TYR 252.A OH no hydrogen 2.696 N/A HIS 243.A NE2 PRO 206.A O no hydrogen 2.869 N/A VAL 244.A N LEU 240.A O no hydrogen 3.285 N/A LYS 245.A N ALA 241.A O no hydrogen 2.975 N/A LYS 246.A N TRP 242.A O no hydrogen 2.848 N/A LYS 246.A NZ ASP 188.A OD1 no hydrogen 2.640 N/A TRP 247.A N HIS 243.A O no hydrogen 3.074 N/A THR 249.A N TRP 247.A O no hydrogen 2.968 N/A MET 251.A N THR 249.A OG1 no hydrogen 3.051 N/A TYR 252.A N THR 249.A O no hydrogen 3.169 N/A TYR 252.A OH HIS 243.A ND1 no hydrogen 2.696 N/A SER 253.A N VAL 201.A O no hydrogen 3.025 N/A VAL 254.A N ARG 7.A O no hydrogen 2.900 N/A ILE 255.A N ALA 203.A O no hydrogen 3.358 N/A LYS 257.A NZ GLN 259.A OE1 no hydrogen 2.831 N/A SER 258.A OG THR 260.A O no hydrogen 3.417 N/A THR 260.A N SER 258.A OG no hydrogen 2.938 N/A ILE 264.A N THR 260.A O no hydrogen 2.982 N/A GLU 265.A N PRO 261.A O no hydrogen 3.105 N/A ALA 266.A N ALA 262.A O no hydrogen 2.967 N/A ASN 267.A N ARG 263.A O no hydrogen 2.796 N/A PHE 268.A N GLU 265.A O no hydrogen 3.272 N/A LYS 269.A N ALA 266.A O no hydrogen 3.145 N/A LYS 269.A NZ GLU 272.A OE2 no hydrogen 3.467 N/A CYS 270.A N ASN 267.A O no hydrogen 3.016 N/A CYS 270.A SG ASN 267.A O no hydrogen 3.352 N/A GLU 272.A N LYS 269.A O no hydrogen 3.088 N/A VAL 273.A N CYS 270.A O no hydrogen 3.279 N/A SER 276.A N ASP 279.A OD2 no hydrogen 3.004 N/A ASP 279.A N SER 276.A OG no hydrogen 3.024 N/A MET 280.A N SER 276.A O no hydrogen 2.966 N/A ASP 281.A N ASP 277.A O no hydrogen 2.945 N/A ALA 282.A N ASP 278.A O no hydrogen 2.993 N/A ILE 283.A N ASP 279.A O no hydrogen 2.996 N/A ASN 284.A N MET 280.A O no hydrogen 2.850 N/A ASN 285.A N ASP 281.A O no hydrogen 2.925 N/A ASN 285.A N ALA 282.A O no hydrogen 3.245 N/A ILE 286.A N ILE 283.A O no hydrogen 3.029 N/A LEU 288.A N ASN 285.A O no hydrogen 3.118 N/A ASN 289.A N ILE 286.A O no hydrogen 2.979 N/A LYS 290.A N ILE 286.A O no hydrogen 2.889 N/A ILE 292.A N TRP 184.A O no hydrogen 2.821 N/A PHE 294.A N GLU 180.A OE2 no hydrogen 2.841 N/A CYS 295.A N GLU 180.A OE1 no hydrogen 2.770 N/A CYS 295.A SG TYR 204.A OH no hydrogen 3.393 N/A ALA 298.A N ASP 296.A OD1 no hydrogen 2.972 N/A ILE 299.A N ASP 296.A O no hydrogen 2.893 N/A TRP 301.A N PRO 297.A O no hydrogen 2.993 N/A LYS 302.A NZ GLU 124.A O no hydrogen 2.882 N/A VAL 303.A N PRO 297.A O no hydrogen 3.148 N/A LEU 305.A N VAL 303.A O no hydrogen 2.951 N/A ASP 307.A N PRO 304.A O no hydrogen 3.184 N/A