Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5qti_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N MET 1.A O no hydrogen 2.760 N/A PHE 6.A N PRO 2.A O no hydrogen 2.838 N/A MET 7.A N MET 3.A O no hydrogen 3.106 N/A GLN 8.A N GLN 4.A O no hydrogen 3.250 N/A VAL 9.A N MET 5.A O no hydrogen 3.139 N/A TYR 10.A N PHE 6.A O no hydrogen 3.204 N/A TYR 10.A OH ASP 40.A OD1 no hydrogen 2.639 N/A ASP 11.A N MET 7.A O no hydrogen 3.286 N/A GLU 12.A N GLN 8.A O no hydrogen 3.168 N/A ILE 13.A N VAL 9.A O no hydrogen 2.763 N/A GLN 14.A N TYR 10.A O no hydrogen 2.744 N/A GLN 14.A NE2 ASP 40.A OD1 no hydrogen 2.701 N/A MET 15.A N ASP 11.A O no hydrogen 2.905 N/A PHE 16.A N GLU 12.A O no hydrogen 3.178 N/A LEU 17.A N ILE 13.A O no hydrogen 3.015 N/A LEU 18.A N GLN 14.A O no hydrogen 2.965 N/A GLU 19.A N MET 15.A O no hydrogen 2.931 N/A GLU 20.A N PHE 16.A O no hydrogen 2.711 N/A LEU 21.A N LEU 17.A O no hydrogen 3.094 N/A GLU 22.A N LEU 18.A O no hydrogen 2.922 N/A LEU 23.A N GLU 19.A O no hydrogen 2.685 N/A LYS 24.A N GLU 20.A O no hydrogen 2.739 N/A PHE 25.A N LEU 21.A O no hydrogen 3.143 N/A MET 27.A N LEU 21.A O no hydrogen 3.073 N/A ARG 31.A N ASP 28.A O no hydrogen 3.190 N/A ARG 31.A NH1 ASP 28.A OD1 no hydrogen 2.914 N/A ARG 31.A NH1 ASP 28.A OD2 no hydrogen 3.371 N/A VAL 32.A N ASP 28.A O no hydrogen 3.117 N/A ARG 33.A N PRO 29.A O no hydrogen 2.991 N/A TYR 34.A N ASN 30.A O no hydrogen 3.127 N/A LEU 35.A N ARG 31.A O no hydrogen 2.820 N/A ARG 36.A N VAL 32.A O no hydrogen 2.813 N/A LYS 37.A N ARG 33.A O no hydrogen 3.061 N/A MET 38.A N TYR 34.A O no hydrogen 3.043 N/A MET 39.A N LEU 35.A O no hydrogen 2.834 N/A ASP 40.A N ARG 36.A O no hydrogen 2.953 N/A THR 41.A N LYS 37.A O no hydrogen 2.920 N/A THR 41.A OG1 LYS 37.A O no hydrogen 2.723 N/A THR 42.A N MET 38.A O no hydrogen 3.023 N/A THR 42.A OG1 MET 38.A O no hydrogen 2.878 N/A CYS 43.A N MET 39.A O no hydrogen 2.942 N/A CYS 43.A SG THR 42.A OG1 no hydrogen 3.777 N/A LEU 44.A N ASP 40.A O no hydrogen 3.196 N/A GLY 45.A N TYR 48.A OH no hydrogen 2.874 N/A ARG 50.A NE THR 185.A OG1 no hydrogen 3.179 N/A ARG 50.A NH2 THR 185.A OG1 no hydrogen 3.313 N/A GLY 51.A N GLU 84.A OE1 no hydrogen 2.779 N/A LEU 52.A N TYR 48.A O no hydrogen 2.905 N/A THR 53.A N ASN 49.A O no hydrogen 3.142 N/A THR 53.A OG1 ASN 49.A O no hydrogen 2.509 N/A VAL 54.A N GLY 51.A O no hydrogen 3.259 N/A ASP 56.A N LEU 52.A O no hydrogen 2.926 N/A VAL 57.A N THR 53.A O no hydrogen 2.967 N/A ALA 58.A N VAL 54.A O no hydrogen 3.108 N/A GLU 59.A N ILE 55.A O no hydrogen 2.953 N/A SER 60.A N ASP 56.A O no hydrogen 3.213 N/A SER 60.A OG ASP 56.A O no hydrogen 3.094 N/A SER 60.A OG GLU 59.A OE1 no hydrogen 2.351 N/A LEU 61.A N VAL 57.A O no hydrogen 3.309 N/A LEU 62.A N ALA 58.A O no hydrogen 3.311 N/A SER 63.A OG GLU 59.A O no hydrogen 3.039 N/A LEU 64.A N LEU 61.A O no hydrogen 3.423 N/A ARG 71.A N ALA 67.A O no hydrogen 3.314 N/A VAL 72.A N ARG 68.A O no hydrogen 3.163 N/A LEU 73.A N ARG 69.A O no hydrogen 3.006 N/A HIS 74.A N LYS 70.A O no hydrogen 3.128 N/A HIS 74.A NE2 GLU 12.A OE1 no hydrogen 2.873 N/A ASP 75.A N ARG 71.A O no hydrogen 2.804 N/A ALA 76.A N VAL 72.A O no hydrogen 2.879 N/A CYS 77.A N LEU 73.A O no hydrogen 3.180 N/A CYS 77.A SG LEU 73.A O no hydrogen 3.210 N/A VAL 78.A N HIS 74.A O no hydrogen 3.155 N/A CYS 79.A N ASP 75.A O no hydrogen 3.073 N/A CYS 79.A SG ASP 75.A O no hydrogen 3.687 N/A GLY 80.A N ALA 76.A O no hydrogen 2.796 N/A TRP 81.A N CYS 77.A O no hydrogen 3.054 N/A TRP 81.A NE1 PHE 6.A O no hydrogen 2.702 N/A MET 82.A N VAL 78.A O no hydrogen 2.914 N/A ILE 83.A N CYS 79.A O no hydrogen 3.252 N/A GLU 84.A N GLY 80.A O no hydrogen 3.139 N/A PHE 85.A N TRP 81.A O no hydrogen 2.727 N/A LEU 86.A N MET 82.A O no hydrogen 2.897 N/A GLN 87.A N ILE 83.A O no hydrogen 2.702 N/A ALA 88.A N GLU 84.A O no hydrogen 2.814 N/A HIS 89.A N PHE 85.A O no hydrogen 2.892 N/A HIS 89.A ND1 GLY 113.A O no hydrogen 2.687 N/A TYR 90.A N LEU 86.A O no hydrogen 3.008 N/A TYR 90.A OH ASP 145.A OD1 no hydrogen 2.373 N/A LEU 91.A N GLN 87.A O no hydrogen 2.934 N/A VAL 92.A N ALA 88.A O no hydrogen 3.090 N/A GLU 93.A N HIS 89.A O no hydrogen 3.143 N/A ASP 94.A N TYR 90.A O no hydrogen 2.972 N/A ASP 95.A N LEU 91.A O no hydrogen 3.014 N/A ILE 96.A N VAL 92.A O no hydrogen 3.224 N/A MET 97.A N ASP 94.A O no hydrogen 3.295 N/A ASN 99.A N ASP 95.A O no hydrogen 3.026 N/A SER 100.A OG ASN 99.A O no hydrogen 2.717 N/A GLN 107.A N ASP 103.A O no hydrogen 3.187 N/A CYS 108.A N VAL 104.A O no hydrogen 2.965 N/A CYS 108.A SG TYR 34.A OH no hydrogen 3.669 N/A CYS 108.A SG VAL 104.A O no hydrogen 3.162 N/A ALA 109.A N THR 105.A O no hydrogen 3.000 N/A ILE 110.A N VAL 106.A O no hydrogen 2.982 N/A ASN 111.A N GLN 107.A O no hydrogen 2.933 N/A ASP 112.A N CYS 108.A O no hydrogen 2.696 N/A GLY 113.A N ALA 109.A O no hydrogen 3.046 N/A LEU 114.A N ILE 110.A O no hydrogen 3.159 N/A LEU 115.A N ASN 111.A O no hydrogen 3.001 N/A LEU 116.A N ASP 112.A O no hydrogen 2.964 N/A LYS 117.A N GLY 113.A O no hydrogen 3.334 N/A LYS 117.A NZ HIS 121.A NE2 no hydrogen 2.991 N/A SER 118.A N LEU 114.A O no hydrogen 3.013 N/A SER 118.A OG LEU 114.A O no hydrogen 3.022 N/A TRP 119.A N LEU 115.A O no hydrogen 2.863 N/A THR 120.A N LYS 117.A O no hydrogen 3.088 N/A THR 120.A OG1 LYS 117.A O no hydrogen 2.405 N/A MET 122.A N SER 118.A O no hydrogen 2.964 N/A MET 123.A N TRP 119.A O no hydrogen 2.918 N/A ALA 124.A N THR 120.A O no hydrogen 3.338 N/A MET 125.A N HIS 121.A O no hydrogen 2.786 N/A HIS 126.A N MET 122.A O no hydrogen 3.112 N/A PHE 127.A N MET 123.A O no hydrogen 3.224 N/A PHE 128.A N ALA 124.A O no hydrogen 3.095 N/A ALA 129.A N HIS 126.A O no hydrogen 3.285 N/A ARG 131.A N PHE 128.A O no hydrogen 3.087 N/A ARG 131.A NE ASP 75.A OD2 no hydrogen 2.645 N/A ARG 131.A NH2 ASP 75.A OD1 no hydrogen 2.937 N/A ARG 131.A NH2 ASP 75.A OD2 no hydrogen 3.374 N/A LEU 134.A N ARG 131.A O no hydrogen 3.386 N/A LEU 137.A N PHE 133.A O no hydrogen 2.664 N/A LEU 138.A N LEU 134.A O no hydrogen 3.111 N/A CYS 139.A N GLN 135.A O no hydrogen 3.187 N/A CYS 139.A SG GLN 135.A O no hydrogen 3.160 N/A ARG 140.A N ASP 136.A O no hydrogen 3.119 N/A ARG 140.A NE ASP 136.A OD1 no hydrogen 3.335 N/A ARG 140.A NE ASP 136.A OD2 no hydrogen 2.736 N/A PHE 141.A N LEU 137.A O no hydrogen 2.965 N/A ASN 142.A N LEU 138.A O no hydrogen 2.834 N/A ARG 143.A N CYS 139.A O no hydrogen 2.944 N/A VAL 144.A N ARG 140.A O no hydrogen 3.000 N/A ASP 145.A N PHE 141.A O no hydrogen 2.938 N/A TYR 146.A N ASN 142.A O no hydrogen 2.812 N/A THR 147.A N ARG 143.A O no hydrogen 2.885 N/A THR 147.A OG1 ARG 143.A O no hydrogen 2.760 N/A THR 148.A N VAL 144.A O no hydrogen 2.952 N/A THR 148.A OG1 VAL 144.A O no hydrogen 3.010 N/A ALA 149.A N ASP 145.A O no hydrogen 3.196 N/A VAL 150.A N TYR 146.A O no hydrogen 3.058 N/A GLY 151.A N THR 147.A O no hydrogen 2.953 N/A GLN 152.A N THR 148.A O no hydrogen 2.922 N/A LEU 153.A N ALA 149.A O no hydrogen 3.167 N/A TYR 154.A N VAL 150.A O no hydrogen 3.085 N/A ASP 155.A N GLY 151.A O no hydrogen 2.933 N/A VAL 156.A N GLN 152.A O no hydrogen 2.835 N/A THR 157.A N LEU 153.A O no hydrogen 3.149 N/A THR 157.A OG1 LEU 153.A O no hydrogen 2.474 N/A SER 158.A OG ASP 155.A O no hydrogen 3.416 N/A PHE 168.A N PHE 165.A O no hydrogen 3.270 N/A THR 169.A OG1 SER 171.A OG no hydrogen 3.395 N/A SER 171.A OG THR 169.A OG1 no hydrogen 3.395 N/A ASN 172.A N THR 169.A OG1 no hydrogen 3.187 N/A ASN 172.A ND2 GLU 167.A O no hydrogen 2.603 N/A TYR 173.A N THR 169.A O no hydrogen 2.972 N/A TYR 173.A OH ASP 224.A OD2 no hydrogen 2.756 N/A LYS 174.A N LEU 170.A O no hydrogen 3.050 N/A ARG 175.A N SER 171.A O no hydrogen 3.042 N/A ARG 175.A NE ASN 172.A OD1 no hydrogen 2.994 N/A ARG 175.A NH2 ASN 172.A OD1 no hydrogen 2.776 N/A ILE 176.A N ASN 172.A O no hydrogen 2.913 N/A VAL 177.A N TYR 173.A O no hydrogen 2.969 N/A LYS 178.A N LYS 174.A O no hydrogen 2.726 N/A TYR 179.A N ARG 175.A O no hydrogen 3.121 N/A LYS 180.A N ILE 176.A O no hydrogen 2.821 N/A LYS 180.A NZ ASP 155.A OD2 no hydrogen 2.637 N/A THR 181.A N VAL 177.A O no hydrogen 3.064 N/A ALA 182.A N VAL 177.A O no hydrogen 2.863 N/A TYR 183.A N LYS 178.A O no hydrogen 3.177 N/A TYR 184.A OH GLN 87.A OE1 no hydrogen 2.406 N/A THR 185.A N THR 181.A O no hydrogen 3.027 N/A THR 185.A OG1 THR 181.A O no hydrogen 2.966 N/A TYR 186.A N ALA 182.A O no hydrogen 2.997 N/A TYR 186.A OH THR 330.A OG1 no hydrogen 2.423 N/A LEU 187.A N ALA 182.A O no hydrogen 3.109 N/A LEU 188.A N TYR 183.A O no hydrogen 2.767 N/A VAL 191.A N LEU 187.A O no hydrogen 2.941 N/A MET 192.A N LEU 188.A O no hydrogen 2.913 N/A GLY 193.A N PRO 189.A O no hydrogen 2.989 N/A LEU 194.A N LEU 190.A O no hydrogen 3.045 N/A ILE 195.A N VAL 191.A O no hydrogen 2.895 N/A VAL 196.A N MET 192.A O no hydrogen 3.208 N/A SER 197.A N GLY 193.A O no hydrogen 3.337 N/A SER 197.A OG ALA 58.A O no hydrogen 3.564 N/A SER 197.A OG GLY 193.A O no hydrogen 3.028 N/A GLU 198.A N ILE 195.A O no hydrogen 3.052 N/A ALA 199.A N LEU 194.A O no hydrogen 2.975 N/A THR 202.A OG1 ALA 199.A O no hydrogen 2.825 N/A GLY 206.A N ASP 204.A OD1 no hydrogen 3.120 N/A VAL 207.A N ASP 204.A OD1 no hydrogen 3.470 N/A THR 208.A N ASP 204.A O no hydrogen 3.067 N/A THR 208.A OG1 ASP 204.A O no hydrogen 2.918 N/A GLU 209.A N MET 205.A O no hydrogen 2.650 N/A GLU 210.A N GLY 206.A O no hydrogen 2.917 N/A LEU 211.A N VAL 207.A O no hydrogen 2.856 N/A ALA 212.A N THR 208.A O no hydrogen 3.019 N/A MET 213.A N GLU 209.A O no hydrogen 3.033 N/A LEU 214.A N GLU 210.A O no hydrogen 3.085 N/A MET 215.A N LEU 211.A O no hydrogen 2.879 N/A GLY 216.A N ALA 212.A O no hydrogen 3.002 N/A GLU 217.A N MET 213.A O no hydrogen 2.909 N/A TYR 218.A N LEU 214.A O no hydrogen 2.822 N/A PHE 219.A N MET 215.A O no hydrogen 2.887 N/A GLN 220.A N GLY 216.A O no hydrogen 2.934 N/A GLN 220.A NE2 ASP 224.A OD1 no hydrogen 2.916 N/A VAL 221.A N GLU 217.A O no hydrogen 2.994 N/A GLN 222.A N TYR 218.A O no hydrogen 3.365 N/A ASP 223.A N PHE 219.A O no hydrogen 2.886 N/A ASP 224.A N GLN 220.A O no hydrogen 2.844 N/A VAL 225.A N VAL 221.A O no hydrogen 3.180 N/A MET 226.A N GLN 222.A O no hydrogen 3.077 N/A ASP 227.A N ASP 223.A O no hydrogen 3.031 N/A CYS 228.A N VAL 225.A O no hydrogen 3.259 N/A PHE 229.A N VAL 225.A O no hydrogen 2.996 N/A THR 230.A N MET 226.A O no hydrogen 3.066 N/A GLU 233.A N GLU 233.A OE1 no hydrogen 2.609 N/A ARG 234.A N PRO 231.A O no hydrogen 3.137 N/A LEU 235.A N PRO 231.A O no hydrogen 2.860 N/A GLY 236.A N PRO 232.A O no hydrogen 2.884 N/A THR 240.A OG1 THR 240.A O no hydrogen 2.469 N/A THR 240.A OG1 ASP 244.A OD1 no hydrogen 3.122 N/A THR 240.A OG1 ASP 244.A OD2 no hydrogen 2.787 N/A ASP 241.A N ASP 227.A OD1 no hydrogen 3.090 N/A GLN 243.A N GLN 243.A OE1 no hydrogen 2.541 N/A ASP 244.A N THR 240.A O no hydrogen 3.016 N/A ALA 245.A N ILE 242.A O no hydrogen 3.181 N/A LYS 246.A N ASP 241.A O no hydrogen 3.021 N/A LYS 246.A NZ ASP 155.A OD1 no hydrogen 3.238 N/A LYS 246.A NZ ASP 155.A OD2 no hydrogen 2.504 N/A TRP 249.A N ASP 224.A OD2 no hydrogen 2.826 N/A ALA 251.A N SER 248.A OG no hydrogen 3.266 N/A VAL 252.A N SER 248.A O no hydrogen 3.260 N/A THR 253.A N TRP 249.A O no hydrogen 3.058 N/A THR 253.A OG1 TRP 249.A O no hydrogen 2.811 N/A PHE 254.A N LEU 250.A O no hydrogen 2.908 N/A LEU 255.A N ALA 251.A O no hydrogen 3.045 N/A ALA 256.A N THR 253.A O no hydrogen 3.300 N/A LYS 257.A N PHE 254.A O no hydrogen 3.182 N/A LYS 257.A NZ ALA 288.A O no hydrogen 3.021 N/A LYS 257.A NZ ASP 293.A OD2 no hydrogen 2.669 N/A SER 259.A N GLN 262.A OE1 no hydrogen 2.930 N/A GLN 262.A N SER 259.A OG no hydrogen 3.159 N/A VAL 263.A N SER 259.A O no hydrogen 2.904 N/A ALA 264.A N SER 260.A O no hydrogen 3.315 N/A GLU 265.A N ALA 261.A O no hydrogen 3.122 N/A PHE 266.A N GLN 262.A O no hydrogen 2.734 N/A LYS 267.A N VAL 263.A O no hydrogen 2.741 N/A ALA 268.A N ALA 264.A O no hydrogen 2.995 N/A ASN 269.A N PHE 266.A O no hydrogen 3.219 N/A ASN 269.A ND2 GLU 265.A O no hydrogen 2.376 N/A TYR 270.A N PHE 266.A O no hydrogen 2.842 N/A TYR 270.A OH LYS 246.A O no hydrogen 2.671 N/A GLY 271.A N ILE 242.A O no hydrogen 3.011 N/A ASP 274.A N SER 272.A OG no hydrogen 3.173 N/A VAL 278.A N ASP 274.A O no hydrogen 3.177 N/A ALA 279.A N SER 275.A O no hydrogen 3.189 N/A THR 280.A N GLU 276.A O no hydrogen 2.744 N/A THR 280.A OG1 GLU 276.A O no hydrogen 2.628 N/A VAL 281.A N LYS 277.A O no hydrogen 3.038 N/A ARG 282.A N VAL 278.A O no hydrogen 2.994 N/A ARG 282.A NE CYS 228.A O no hydrogen 3.011 N/A ARG 283.A N ALA 279.A O no hydrogen 2.852 N/A ARG 283.A NE GLU 287.A OE2 no hydrogen 2.709 N/A LEU 284.A N THR 280.A O no hydrogen 3.001 N/A TYR 285.A N VAL 281.A O no hydrogen 2.938 N/A GLU 286.A N ARG 282.A O no hydrogen 2.868 N/A GLU 287.A N ARG 283.A O no hydrogen 2.886 N/A ALA 288.A N LEU 284.A O no hydrogen 3.204 N/A ASP 289.A N GLU 286.A O no hydrogen 3.051 N/A LEU 290.A N TYR 285.A O no hydrogen 3.410 N/A GLY 292.A N ASP 289.A O no hydrogen 3.260 N/A ASP 293.A N ASP 289.A O no hydrogen 3.253 N/A TYR 294.A N LEU 290.A O no hydrogen 2.867 N/A TYR 297.A N ASP 293.A O no hydrogen 2.938 N/A TYR 297.A OH GLU 217.A OE2 no hydrogen 2.530 N/A GLU 298.A N TYR 294.A O no hydrogen 3.086 N/A ALA 299.A N VAL 295.A O no hydrogen 3.008 N/A ALA 300.A N ALA 296.A O no hydrogen 2.944 N/A VAL 301.A N TYR 297.A O no hydrogen 3.021 N/A ALA 302.A N GLU 298.A O no hydrogen 2.722 N/A GLU 303.A N ALA 299.A O no hydrogen 2.909 N/A GLN 304.A N ALA 300.A O no hydrogen 3.124 N/A GLN 304.A NE2 ALA 300.A O no hydrogen 3.230 N/A VAL 305.A N VAL 301.A O no hydrogen 2.900 N/A LYS 306.A N ALA 302.A O no hydrogen 2.659 N/A GLU 307.A N GLU 303.A O no hydrogen 3.007 N/A LEU 308.A N GLN 304.A O no hydrogen 3.016 N/A ILE 309.A N VAL 305.A O no hydrogen 3.306 N/A GLU 310.A N GLU 307.A O no hydrogen 3.329 N/A LEU 312.A N ILE 309.A O no hydrogen 3.187 N/A ARG 313.A N ILE 309.A O no hydrogen 3.153 N/A ARG 313.A NE GLU 310.A OE1 no hydrogen 2.910 N/A ARG 313.A NE GLU 310.A OE2 no hydrogen 2.938 N/A ARG 313.A NH2 GLU 310.A OE2 no hydrogen 3.135 N/A SER 316.A N LEU 312.A O no hydrogen 2.907 N/A ALA 320.A N SER 316.A O no hydrogen 3.314 N/A ALA 321.A N GLY 318.A O no hydrogen 3.313 N/A SER 322.A OG PHE 319.A O no hydrogen 2.857 N/A VAL 323.A N PHE 319.A O no hydrogen 3.280 N/A GLU 324.A N ALA 320.A O no hydrogen 3.017 N/A THR 325.A N ALA 321.A O no hydrogen 3.221 N/A THR 325.A OG1 ALA 321.A O no hydrogen 3.184 N/A LEU 326.A N SER 322.A O no hydrogen 2.842 N/A TRP 327.A N VAL 323.A O no hydrogen 2.840 N/A GLY 328.A N GLU 324.A O no hydrogen 2.755 N/A LYS 329.A N THR 325.A O no hydrogen 3.080 N/A THR 330.A N TRP 327.A O no hydrogen 2.908 N/A THR 330.A OG1 TYR 186.A OH no hydrogen 2.423 N/A THR 330.A OG1 LEU 326.A O no hydrogen 3.309 N/A