Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3inb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE ILE 2.A O no hydrogen 2.930 N/A GLN 5.A NE2 GLY 64.A O no hydrogen 3.443 N/A MET 9.A N SER 7.A OG no hydrogen 3.274 N/A LEU 11.A N PHE 68.A O no hydrogen 2.780 N/A SER 12.A OG ASP 15.A OD2 no hydrogen 2.923 N/A SER 12.A OG GLU 54.A OE1 no hydrogen 3.496 N/A SER 12.A OG GLU 54.A OE2 no hydrogen 2.567 N/A LEU 13.A N GLU 54.A OE2 no hydrogen 2.951 N/A LEU 14.A N GLU 54.A OE1 no hydrogen 2.998 N/A LEU 16.A N SER 12.A O no hydrogen 2.903 N/A TYR 17.A N LEU 13.A O no hydrogen 2.655 N/A LEU 18.A N LEU 14.A O no hydrogen 2.915 N/A GLY 19.A N ASP 15.A O no hydrogen 2.990 N/A GLY 21.A N LEU 18.A O no hydrogen 2.666 N/A ASN 23.A ND2 GLU 43.A OE2 no hydrogen 2.669 N/A SER 25.A N LEU 41.A O no hydrogen 3.176 N/A VAL 28.A N THR 39.A O no hydrogen 3.028 N/A THR 29.A N GLN 359.A OE1 no hydrogen 3.285 N/A THR 29.A OG1 GLY 37.A O no hydrogen 3.394 N/A THR 29.A OG1 GLU 361.A OE1 no hydrogen 2.770 N/A THR 29.A OG1 GLU 361.A OE2 no hydrogen 3.173 N/A MET 30.A N GLY 37.A O no hydrogen 3.054 N/A THR 31.A OG1 CYS 362.A O no hydrogen 2.856 N/A MET 35.A N SER 32.A O no hydrogen 2.847 N/A TYR 36.A N GLY 56.A O no hydrogen 3.065 N/A TYR 36.A OH GLU 54.A OE2 no hydrogen 2.959 N/A GLY 37.A N MET 30.A O no hydrogen 3.184 N/A GLY 38.A N GLU 54.A O no hydrogen 2.902 N/A THR 39.A N VAL 28.A O no hydrogen 2.991 N/A TYR 40.A N VAL 52.A O no hydrogen 3.088 N/A TYR 40.A OH GLU 54.A OE1 no hydrogen 2.845 N/A LEU 41.A N SER 25.A O no hydrogen 2.858 N/A VAL 42.A N TYR 50.A O no hydrogen 3.117 N/A GLU 43.A N ASN 23.A O no hydrogen 3.054 N/A LYS 44.A N SER 48.A O no hydrogen 2.962 N/A LYS 44.A NZ GLU 75.A OE1 no hydrogen 2.946 N/A TYR 50.A N VAL 42.A O no hydrogen 3.318 N/A ARG 51.A N GLN 76.A O no hydrogen 2.908 N/A VAL 52.A N TYR 40.A O no hydrogen 2.755 N/A PHE 53.A N LEU 74.A O no hydrogen 2.939 N/A GLU 54.A N GLY 38.A O no hydrogen 3.069 N/A VAL 55.A N ASN 72.A O no hydrogen 2.972 N/A GLY 56.A N TYR 36.A O no hydrogen 2.723 N/A VAL 57.A N HIS 69.A O no hydrogen 3.056 N/A ILE 58.A N GLY 34.A O no hydrogen 2.970 N/A ARG 59.A N VAL 67.A O no hydrogen 3.249 N/A GLY 62.A N ASN 60.A OD1 no hydrogen 2.726 N/A VAL 67.A N ARG 59.A O no hydrogen 3.086 N/A HIS 69.A N VAL 57.A O no hydrogen 2.969 N/A MET 70.A N LEU 11.A O no hydrogen 2.955 N/A THR 71.A N VAL 55.A O no hydrogen 3.151 N/A THR 71.A OG1 VAL 55.A O no hydrogen 3.370 N/A THR 71.A OG1 VAL 119.A O no hydrogen 2.851 N/A ASN 72.A N VAL 55.A O no hydrogen 3.323 N/A ASN 72.A ND2 GLY 118.A O no hydrogen 3.141 N/A ASN 72.A ND2 ASP 125.A OD2 no hydrogen 3.223 N/A LEU 74.A N PHE 53.A O no hydrogen 3.009 N/A GLN 76.A N ARG 51.A O no hydrogen 2.994 N/A GLN 76.A NE2 GLN 113.A OE1 no hydrogen 2.577 N/A VAL 78.A N MET 49.A O no hydrogen 3.352 N/A ASN 84.A N HIS 99.A O no hydrogen 2.718 N/A MET 86.A N LEU 97.A O no hydrogen 2.923 N/A ALA 88.A N ALA 95.A O no hydrogen 2.958 N/A LYS 93.A N GLY 90.A O no hydrogen 3.312 N/A LEU 94.A N LEU 117.A O no hydrogen 2.970 N/A ALA 95.A N ALA 88.A O no hydrogen 2.836 N/A ALA 96.A N VAL 115.A O no hydrogen 3.204 N/A LEU 97.A N MET 86.A O no hydrogen 3.047 N/A CYS 98.A N GLN 113.A O no hydrogen 2.815 N/A HIS 99.A N ASN 84.A O no hydrogen 3.066 N/A GLU 101.A N LEU 82.A O no hydrogen 2.751 N/A PHE 112.A N VAL 130.A O no hydrogen 2.793 N/A GLN 113.A N CYS 98.A O no hydrogen 3.097 N/A LEU 114.A N SER 128.A O no hydrogen 2.792 N/A VAL 115.A N ALA 96.A O no hydrogen 3.072 N/A LYS 116.A NZ LEU 210.A O no hydrogen 2.645 N/A LEU 117.A N LEU 94.A O no hydrogen 2.962 N/A GLY 118.A N ASP 125.A OD1 no hydrogen 2.858 N/A VAL 119.A N LEU 92.A O no hydrogen 2.895 N/A SER 122.A N ASP 125.A OD2 no hydrogen 3.030 N/A ALA 124.A N SER 122.A OG no hydrogen 3.374 N/A ASP 125.A N SER 122.A O no hydrogen 2.817 N/A MET 126.A N LYS 116.A O no hydrogen 2.997 N/A GLN 127.A NE2 GLN 76.A OE1 no hydrogen 3.568 N/A SER 128.A OG TRP 129.A O no hydrogen 3.222 N/A VAL 130.A N PHE 112.A O no hydrogen 2.844 N/A THR 134.A OG1 LEU 132.A O no hydrogen 3.090 N/A VAL 138.A N ASP 136.A O no hydrogen 2.408 N/A ILE 139.A N ASP 136.A O no hydrogen 2.881 N/A ASP 140.A N THR 163.A O no hydrogen 3.128 N/A ARG 141.A NH2 SER 103.A O no hydrogen 3.480 N/A LEU 142.A N ILE 104.A O no hydrogen 3.057 N/A TYR 143.A N PRO 161.A O no hydrogen 3.299 N/A LEU 144.A N ASP 102.A O no hydrogen 2.937 N/A SER 145.A N HIS 147.A NE2 no hydrogen 2.593 N/A SER 145.A OG GLY 231.A O no hydrogen 2.778 N/A ARG 148.A N ASP 235.A OD1 no hydrogen 3.323 N/A ARG 148.A NE THR 29.A O no hydrogen 3.106 N/A ARG 148.A NH1 SER 146.A OG no hydrogen 3.250 N/A ARG 148.A NH1 ASP 235.A OD1 no hydrogen 3.552 N/A VAL 150.A N LYS 157.A O no hydrogen 2.868 N/A ILE 151.A N LEU 89.A O no hydrogen 2.646 N/A ALA 152.A N GLN 155.A O no hydrogen 2.941 N/A ASP 153.A N GLU 91.A OE2 no hydrogen 2.743 N/A ASN 154.A N GLU 91.A OE1 no hydrogen 2.963 N/A ALA 156.A N VAL 208.A O no hydrogen 2.983 N/A LYS 157.A N VAL 150.A O no hydrogen 2.828 N/A TRP 158.A N LEU 206.A O no hydrogen 2.984 N/A TRP 158.A NE1 VAL 87.A O no hydrogen 2.815 N/A VAL 160.A N GLY 204.A O no hydrogen 2.637 N/A THR 162.A N SER 202.A O no hydrogen 3.049 N/A THR 162.A OG1 VAL 160.A O no hydrogen 3.111 N/A THR 163.A N ARG 141.A O no hydrogen 3.027 N/A ARG 164.A NE ASP 166.A OD1 no hydrogen 2.998 N/A ARG 164.A NH1 SER 222.A OG no hydrogen 2.588 N/A ARG 164.A NH2 ASP 166.A OD1 no hydrogen 3.501 N/A ARG 164.A NH2 ASP 166.A OD2 no hydrogen 3.072 N/A THR 165.A N VAL 138.A O no hydrogen 3.195 N/A LYS 168.A NZ ASN 198.A O no hydrogen 2.832 N/A LYS 168.A NZ ASN 198.A OD1 no hydrogen 2.771 N/A ARG 170.A N ASP 166.A O no hydrogen 3.182 N/A MET 171.A N LYS 168.A O no hydrogen 3.128 N/A GLU 172.A N LYS 168.A O no hydrogen 2.683 N/A CYS 174.A SG ASP 286.A O no hydrogen 3.949 N/A PHE 175.A N MET 171.A O no hydrogen 2.848 N/A GLN 176.A NE2 GLU 172.A O no hydrogen 3.283 N/A GLN 177.A N THR 173.A O no hydrogen 3.417 N/A ALA 178.A N PHE 175.A O no hydrogen 2.600 N/A CYS 179.A N GLN 176.A O no hydrogen 2.968 N/A LYS 180.A N GLN 176.A O no hydrogen 2.706 N/A ILE 183.A N GLY 181.A O no hydrogen 3.121 N/A GLN 184.A NE2 GLY 181.A O no hydrogen 3.413 N/A CYS 187.A N GLN 184.A O no hydrogen 3.121 N/A CYS 187.A SG CYS 179.A O no hydrogen 3.926 N/A CYS 187.A SG GLN 184.A O no hydrogen 3.011 N/A GLU 188.A N THR 185.A O no hydrogen 3.001 N/A LYS 196.A N ALA 193.A O no hydrogen 2.989 N/A ASP 197.A N PRO 194.A O no hydrogen 3.309 N/A ARG 199.A N PRO 194.A O no hydrogen 3.316 N/A ARG 199.A NH1 ARG 164.A O no hydrogen 3.117 N/A ILE 200.A N ASP 167.A OD2 no hydrogen 3.038 N/A SER 202.A N THR 162.A O no hydrogen 2.574 N/A SER 202.A OG THR 162.A O no hydrogen 3.154 N/A TYR 203.A N GLY 223.A O no hydrogen 2.798 N/A TYR 203.A OH PRO 226.A O no hydrogen 2.467 N/A GLY 204.A N VAL 160.A O no hydrogen 2.705 N/A VAL 205.A N ALA 221.A O no hydrogen 2.633 N/A LEU 206.A N TRP 158.A O no hydrogen 2.814 N/A SER 207.A N LYS 219.A O no hydrogen 2.784 N/A SER 207.A OG LYS 219.A O no hydrogen 3.265 N/A VAL 208.A N ALA 156.A O no hydrogen 3.109 N/A LEU 210.A N ASN 154.A O no hydrogen 2.872 N/A SER 211.A N ASP 209.A OD1 no hydrogen 3.158 N/A THR 213.A N SER 211.A O no hydrogen 2.572 N/A LEU 216.A N THR 213.A O no hydrogen 3.160 N/A ILE 218.A N PRO 131.A O no hydrogen 2.929 N/A LYS 219.A N SER 207.A O no hydrogen 2.812 N/A ALA 221.A N VAL 205.A O no hydrogen 2.919 N/A GLY 223.A N TYR 203.A O no hydrogen 3.296 N/A LEU 227.A N HIS 288.A O no hydrogen 2.986 N/A THR 229.A OG1 TYR 292.A OH no hydrogen 3.213 N/A HIS 230.A NE2 PRO 250.A O no hydrogen 3.180 N/A MET 234.A N SER 146.A O no hydrogen 3.083 N/A ASP 235.A N THR 248.A O no hydrogen 3.283 N/A TYR 237.A N TRP 246.A O no hydrogen 2.880 N/A SER 239.A N VAL 244.A O no hydrogen 3.356 N/A SER 239.A OG HIS 241.A O no hydrogen 3.111 N/A SER 239.A OG VAL 244.A O no hydrogen 2.648 N/A HIS 241.A N SER 239.A OG no hydrogen 3.180 N/A VAL 244.A N HIS 241.A O no hydrogen 2.934 N/A TYR 245.A N LEU 263.A O no hydrogen 2.727 N/A TRP 246.A N TYR 237.A O no hydrogen 2.798 N/A LEU 247.A N ASN 261.A O no hydrogen 3.263 N/A THR 248.A N ASP 235.A O no hydrogen 3.170 N/A THR 248.A OG1 LEU 306.A O no hydrogen 2.769 N/A ILE 249.A N VAL 259.A O no hydrogen 2.869 N/A LEU 255.A N MET 252.A O no hydrogen 3.196 N/A LEU 257.A N THR 291.A O no hydrogen 2.994 N/A VAL 259.A N ILE 249.A O no hydrogen 3.188 N/A ILE 260.A N LEU 275.A O no hydrogen 3.460 N/A ASN 261.A N LEU 247.A O no hydrogen 2.839 N/A THR 262.A N SER 272.A O no hydrogen 2.881 N/A THR 262.A OG1 SER 272.A O no hydrogen 2.892 N/A THR 262.A OG1 SER 272.A OG no hydrogen 3.275 N/A LEU 263.A N TYR 245.A O no hydrogen 2.544 N/A GLU 264.A N LYS 270.A O no hydrogen 3.053 N/A LYS 270.A N GLU 264.A O no hydrogen 2.913 N/A SER 272.A N THR 262.A O no hydrogen 3.058 N/A SER 272.A OG THR 262.A OG1 no hydrogen 3.275 N/A THR 277.A OG1 LEU 275.A O no hydrogen 2.993 N/A VAL 278.A N ALA 289.A O no hydrogen 3.056 N/A ILE 280.A N CYS 287.A O no hydrogen 3.145 N/A GLU 285.A N ALA 283.A O no hydrogen 2.386 N/A CYS 287.A SG CYS 174.A O no hydrogen 3.440 N/A ALA 289.A N VAL 278.A O no hydrogen 3.217 N/A THR 291.A N PHE 276.A O no hydrogen 3.272 N/A TYR 292.A OH THR 229.A OG1 no hydrogen 3.213 N/A LEU 293.A N LEU 255.A O no hydrogen 2.863 N/A GLY 299.A N VAL 297.A O no hydrogen 2.285 N/A LYS 301.A NZ ASP 300.A OD1 no hydrogen 2.574 N/A LEU 302.A N TYR 321.A O no hydrogen 3.074 N/A SER 304.A N ALA 319.A O no hydrogen 2.649 N/A SER 304.A OG ASN 305.A O no hydrogen 2.840 N/A SER 304.A OG ALA 319.A O no hydrogen 3.125 N/A ASN 305.A ND2 ASP 235.A OD2 no hydrogen 3.296 N/A ASN 305.A ND2 VAL 360.A O no hydrogen 3.532 N/A VAL 307.A N VAL 317.A O no hydrogen 3.139 N/A GLN 315.A NE2 ASP 313.A O no hydrogen 3.008 N/A TYR 316.A N TYR 335.A O no hydrogen 3.002 N/A VAL 317.A N VAL 307.A O no hydrogen 3.009 N/A LEU 318.A N TYR 333.A O no hydrogen 3.118 N/A ALA 319.A N SER 304.A OG no hydrogen 3.013 N/A THR 320.A N VAL 331.A O no hydrogen 3.130 N/A THR 320.A OG1 LEU 302.A O no hydrogen 2.804 N/A TYR 321.A N LEU 302.A O no hydrogen 2.740 N/A SER 324.A OG GLU 327.A OE2 no hydrogen 2.568 N/A VAL 330.A N TYR 345.A O no hydrogen 3.318 N/A VAL 331.A N THR 320.A O no hydrogen 2.982 N/A TYR 332.A N TYR 343.A O no hydrogen 2.822 N/A TYR 333.A N LEU 318.A O no hydrogen 2.980 N/A TYR 335.A N TYR 316.A O no hydrogen 3.146 N/A SER 336.A N ARG 339.A O no hydrogen 3.330 N/A SER 336.A OG SER 336.A O no hydrogen 2.252 N/A SER 336.A OG ARG 339.A O no hydrogen 3.140 N/A SER 340.A OG VAL 334.A O no hydrogen 3.335 N/A PHE 341.A N VAL 334.A O no hydrogen 3.391 N/A SER 342.A OG TYR 332.A O no hydrogen 3.326 N/A TYR 343.A N TYR 332.A O no hydrogen 2.871 N/A TYR 345.A N VAL 330.A O no hydrogen 3.189 N/A TYR 345.A OH HIS 373.A NE2 no hydrogen 3.113 N/A VAL 354.A N ALA 378.A O no hydrogen 3.000 N/A ILE 356.A N VAL 376.A O no hydrogen 2.759 N/A GLU 357.A N VAL 376.A O no hydrogen 3.221 N/A GLN 359.A NE2 ILE 27.A O no hydrogen 2.884 N/A GLN 359.A NE2 GLU 357.A OE1 no hydrogen 3.278 N/A VAL 360.A N ASN 305.A OD1 no hydrogen 2.889 N/A GLU 361.A N ARG 372.A O no hydrogen 3.098 N/A CYS 362.A SG TRP 370.A O no hydrogen 3.501 N/A PHE 363.A N TRP 370.A O no hydrogen 2.972 N/A TRP 365.A N LYS 368.A O no hydrogen 3.051 N/A LYS 368.A NZ GLY 4.A O no hydrogen 3.531 N/A LYS 368.A NZ GLN 5.A OE1 no hydrogen 3.000 N/A LEU 369.A N MET 389.A O no hydrogen 3.317 N/A TRP 370.A N PHE 363.A O no hydrogen 2.923 N/A TRP 370.A NE1 TRP 365.A O no hydrogen 2.936 N/A CYS 371.A N VAL 387.A O no hydrogen 2.846 N/A CYS 371.A SG LEU 369.A O no hydrogen 3.708 N/A HIS 373.A N GLY 385.A O no hydrogen 2.825 N/A HIS 373.A NE2 TYR 345.A OH no hydrogen 3.113 N/A PHE 374.A N GLN 359.A O no hydrogen 2.900 N/A CYS 375.A N HIS 383.A O no hydrogen 3.183 N/A VAL 376.A N GLU 357.A O no hydrogen 3.134 N/A LEU 377.A N ILE 381.A O no hydrogen 3.296 N/A ALA 378.A N VAL 354.A O no hydrogen 3.162 N/A THR 382.A OG1 VAL 24.A O no hydrogen 3.544 N/A VAL 387.A N CYS 371.A O no hydrogen 3.341 N/A GLY 388.A N GLN 5.A O no hydrogen 2.960 N/A MET 389.A N LEU 369.A O no hydrogen 3.377 N/A