Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aib_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N SER 1.A O no hydrogen 3.302 N/A GLU 6.A N LEU 2.A O no hydrogen 2.996 N/A PHE 7.A N GLU 3.A O no hydrogen 3.300 N/A ALA 8.A N VAL 4.A O no hydrogen 3.088 N/A LEU 9.A N LYS 5.A O no hydrogen 3.087 N/A ASN 10.A N GLU 6.A O no hydrogen 3.077 N/A LEU 11.A N PHE 7.A O no hydrogen 3.271 N/A ILE 12.A N ALA 8.A O no hydrogen 2.842 N/A SER 13.A N LEU 9.A O no hydrogen 3.124 N/A SER 13.A OG LEU 9.A O no hydrogen 3.494 N/A SER 13.A OG ASN 10.A O no hydrogen 2.720 N/A GLN 14.A N LEU 11.A O no hydrogen 3.281 N/A GLN 14.A NE2 ASN 10.A O no hydrogen 3.468 N/A PHE 15.A N ILE 12.A O no hydrogen 2.957 N/A GLU 16.A N ASN 19.A OD1 no hydrogen 2.765 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.722 N/A ASN 19.A N GLU 16.A O no hydrogen 3.119 N/A GLN 20.A N GLU 16.A O no hydrogen 2.992 N/A GLN 20.A NE2 LEU 257.A O no hydrogen 3.269 N/A PHE 24.A N VAL 254.A O no hydrogen 3.108 N/A TRP 25.A N VAL 333.A O no hydrogen 2.824 N/A ILE 26.A N HIS 252.A O no hydrogen 2.762 N/A PHE 27.A N TYR 335.A O no hydrogen 2.845 N/A ASP 28.A N ALA 250.A O no hydrogen 2.766 N/A GLY 31.A N ASP 28.A OD1 no hydrogen 3.149 N/A VAL 32.A N ASP 28.A O no hydrogen 3.275 N/A GLU 33.A N THR 29.A O no hydrogen 3.167 N/A LYS 34.A N GLU 30.A O no hydrogen 2.909 N/A ALA 35.A N VAL 32.A O no hydrogen 3.196 N/A VAL 36.A N VAL 32.A O no hydrogen 3.157 N/A GLU 37.A N GLU 33.A O no hydrogen 3.021 N/A ARG 38.A N LYS 34.A O no hydrogen 3.207 N/A ARG 38.A NE GLU 217.A OE2 no hydrogen 2.764 N/A ARG 38.A NH2 GLU 217.A OE2 no hydrogen 2.816 N/A TRP 39.A N ALA 35.A O no hydrogen 3.229 N/A TRP 39.A NE1 VAL 46.A O no hydrogen 2.998 N/A LYS 40.A N VAL 36.A O no hydrogen 2.912 N/A LYS 41.A N GLU 37.A O no hydrogen 3.276 N/A ASN 42.A N ARG 38.A O no hydrogen 3.267 N/A ASN 42.A ND2 ARG 38.A O no hydrogen 3.329 N/A ASN 42.A ND2 GLU 217.A OE1 no hydrogen 2.975 N/A MET 43.A N TRP 39.A O no hydrogen 2.786 N/A THR 45.A OG1 GLU 224.A OE1 no hydrogen 3.209 N/A THR 45.A OG1 GLU 224.A OE2 no hydrogen 2.642 N/A ARG 47.A N PHE 238.A O no hydrogen 2.952 N/A ARG 47.A NE GLY 68.A O no hydrogen 3.092 N/A ARG 47.A NH1 ASP 91.A OD1 no hydrogen 3.294 N/A ARG 47.A NH2 GLY 68.A O no hydrogen 3.266 N/A ARG 47.A NH2 ASP 91.A OD1 no hydrogen 3.243 N/A CYS 49.A N ALA 240.A O no hydrogen 2.837 N/A PHE 50.A N GLY 70.A O no hydrogen 3.085 N/A VAL 52.A N ASP 72.A O no hydrogen 3.047 N/A CYS 54.A N ALA 51.A O no hydrogen 3.071 N/A ASN 55.A ND2 GLY 327.A O no hydrogen 2.819 N/A GLU 57.A N ASN 55.A OD1 no hydrogen 3.280 N/A HIS 59.A N GLU 57.A OE1 no hydrogen 2.808 N/A VAL 61.A N GLU 57.A O no hydrogen 3.056 N/A LYS 62.A N PRO 58.A O no hydrogen 2.992 N/A LYS 62.A NZ LEU 85.A O no hydrogen 2.812 N/A LEU 63.A N HIS 59.A O no hydrogen 2.933 N/A LEU 64.A N LEU 60.A O no hydrogen 2.972 N/A GLY 65.A N VAL 61.A O no hydrogen 3.274 N/A GLU 66.A N LYS 62.A O no hydrogen 3.034 N/A LEU 67.A N LEU 63.A O no hydrogen 3.130 N/A LEU 67.A N LEU 64.A O no hydrogen 3.086 N/A GLY 68.A N GLY 65.A O no hydrogen 3.138 N/A CYS 69.A N LEU 64.A O no hydrogen 3.142 N/A GLY 70.A N PRO 48.A O no hydrogen 2.828 N/A PHE 71.A N ASP 91.A O no hydrogen 2.990 N/A ASP 72.A N PHE 50.A O no hydrogen 2.792 N/A CYS 73.A N THR 93.A O no hydrogen 3.138 N/A CYS 73.A SG GLU 78.A O no hydrogen 3.405 N/A ALA 74.A N GLU 78.A OE1 no hydrogen 2.936 N/A LEU 76.A N GLN 103.A OE1 no hydrogen 3.233 N/A ILE 79.A N SER 75.A O no hydrogen 3.163 N/A LYS 80.A N LEU 76.A O no hydrogen 2.799 N/A GLU 81.A N ASN 77.A O no hydrogen 2.991 N/A VAL 82.A N GLU 78.A O no hydrogen 3.375 N/A LEU 83.A N ILE 79.A O no hydrogen 3.174 N/A ASP 84.A N LYS 80.A O no hydrogen 2.901 N/A LEU 85.A N VAL 82.A O no hydrogen 3.154 N/A GLY 86.A N LEU 83.A O no hydrogen 3.223 N/A ASP 91.A N ASN 88.A O no hydrogen 3.075 N/A ILE 92.A N PRO 89.A O no hydrogen 3.289 N/A THR 93.A N PHE 71.A O no hydrogen 2.809 N/A TYR 94.A N HIS 114.A O no hydrogen 2.692 N/A TYR 94.A OH GLN 103.A OE1 no hydrogen 3.335 N/A SER 95.A OG ASP 72.A OD1 no hydrogen 2.894 N/A SER 95.A OG ASP 72.A OD2 no hydrogen 2.902 N/A SER 95.A OG CYS 73.A O no hydrogen 3.432 N/A GLN 96.A N TYR 94.A O no hydrogen 3.011 N/A GLN 96.A NE2 ALA 74.A O no hydrogen 3.230 N/A PHE 98.A N GLN 96.A OE1 no hydrogen 3.477 N/A LYS 99.A N GLU 122.A OE2 no hydrogen 2.843 N/A LYS 99.A NZ GLN 96.A O no hydrogen 2.818 N/A LYS 99.A NZ THR 115.A OG1 no hydrogen 3.118 N/A LYS 99.A NZ GLU 122.A OE2 no hydrogen 3.308 N/A LEU 104.A N PRO 100.A O no hydrogen 2.998 N/A ILE 105.A N TYR 101.A O no hydrogen 3.068 N/A GLU 106.A N ASN 102.A O no hydrogen 3.159 N/A ALA 107.A N GLN 103.A O no hydrogen 2.930 N/A SER 108.A N LEU 104.A O no hydrogen 3.291 N/A HIS 109.A N ILE 105.A O no hydrogen 3.195 N/A LEU 110.A N GLU 106.A O no hydrogen 2.868 N/A GLY 111.A N ALA 107.A O no hydrogen 3.051 N/A ILE 112.A N ALA 107.A O no hydrogen 2.831 N/A HIS 114.A ND1 ASP 164.A OD2 no hydrogen 2.656 N/A THR 115.A N GLY 134.A O no hydrogen 2.975 N/A THR 115.A OG1 TYR 94.A O no hydrogen 2.928 N/A VAL 117.A N MET 136.A O no hydrogen 2.800 N/A GLU 122.A N SER 119.A OG no hydrogen 3.239 N/A GLN 124.A N ILE 120.A O no hydrogen 3.370 N/A GLN 124.A NE2 GLU 155.A OE2 no hydrogen 3.274 N/A LYS 125.A N ASP 121.A O no hydrogen 2.767 N/A LYS 125.A NZ LYS 99.A O no hydrogen 2.751 N/A LYS 125.A NZ GLU 122.A OE1 no hydrogen 2.874 N/A LYS 125.A NZ GLU 122.A OE2 no hydrogen 3.317 N/A ILE 126.A N GLU 122.A O no hydrogen 2.962 N/A ALA 127.A N VAL 123.A O no hydrogen 2.960 N/A LYS 128.A N GLN 124.A O no hydrogen 2.988 N/A TYR 129.A N LYS 125.A O no hydrogen 3.224 N/A ALA 130.A N ILE 126.A O no hydrogen 2.956 N/A MET 133.A N ALA 130.A O no hydrogen 3.320 N/A GLY 134.A N ASN 113.A O no hydrogen 2.735 N/A ILE 135.A N ASN 162.A O no hydrogen 2.896 N/A MET 136.A N THR 115.A O no hydrogen 2.816 N/A ILE 137.A N GLY 165.A O no hydrogen 2.876 N/A ARG 138.A N VAL 117.A O no hydrogen 2.965 N/A ILE 139.A N HIS 167.A O no hydrogen 2.716 N/A GLY 143.A N ASP 118.A OD2 no hydrogen 3.272 N/A GLU 148.A N HIS 145.A O no hydrogen 2.941 N/A VAL 152.A N GLU 148.A O no hydrogen 3.036 N/A LEU 153.A N VAL 149.A O no hydrogen 3.045 N/A LYS 154.A N GLU 150.A O no hydrogen 2.910 N/A GLU 155.A N ILE 151.A O no hydrogen 3.208 N/A ILE 156.A N VAL 152.A O no hydrogen 2.880 N/A LYS 157.A N LEU 153.A O no hydrogen 3.113 N/A ASP 158.A N LYS 154.A O no hydrogen 2.771 N/A LYS 159.A N GLU 155.A O no hydrogen 2.968 N/A LYS 159.A NZ GLU 155.A OE2 no hydrogen 3.109 N/A GLY 160.A N LYS 157.A O no hydrogen 3.088 N/A LEU 161.A N ILE 156.A O no hydrogen 2.991 N/A ASP 164.A N ILE 135.A O no hydrogen 2.767 N/A VAL 166.A N LEU 203.A O no hydrogen 3.008 N/A HIS 167.A N ILE 137.A O no hydrogen 2.663 N/A PHE 168.A N ASP 205.A O no hydrogen 3.023 N/A SER 174.A OG GLY 171.A O no hydrogen 2.940 N/A SER 174.A OG GLY 209.A O no hydrogen 3.505 N/A PHE 180.A N SER 177.A O no hydrogen 3.058 N/A LYS 182.A N GLU 178.A O no hydrogen 3.127 N/A ALA 183.A N VAL 179.A O no hydrogen 3.025 N/A LEU 184.A N PHE 180.A O no hydrogen 3.042 N/A THR 185.A N THR 181.A O no hydrogen 3.242 N/A THR 185.A OG1 THR 181.A O no hydrogen 2.677 N/A LYS 186.A N LYS 182.A O no hydrogen 2.887 N/A LYS 186.A NZ ASP 146.A OD1 no hydrogen 3.277 N/A ALA 187.A N ALA 183.A O no hydrogen 2.898 N/A ARG 188.A N LEU 184.A O no hydrogen 2.870 N/A ARG 188.A NE LEU 230.A O no hydrogen 2.943 N/A ARG 188.A NE GLU 231.A O no hydrogen 2.971 N/A ARG 188.A NH1 ARG 188.A O no hydrogen 3.027 N/A ARG 188.A NH2 GLU 231.A O no hydrogen 2.999 N/A ASN 189.A N THR 185.A O no hydrogen 3.220 N/A THR 190.A N LYS 186.A O no hydrogen 3.244 N/A THR 190.A OG1 LYS 186.A O no hydrogen 2.710 N/A VAL 191.A N ALA 187.A O no hydrogen 3.040 N/A THR 192.A N ARG 188.A O no hydrogen 3.372 N/A THR 192.A OG1 ARG 188.A O no hydrogen 3.342 N/A THR 192.A OG1 ASN 189.A O no hydrogen 2.963 N/A LEU 193.A N ASN 189.A O no hydrogen 3.110 N/A ALA 194.A N THR 190.A O no hydrogen 2.930 N/A GLU 195.A N VAL 191.A O no hydrogen 2.766 N/A GLN 196.A N THR 192.A O no hydrogen 3.241 N/A GLN 196.A N LEU 193.A O no hydrogen 3.216 N/A PHE 197.A N LEU 193.A O no hydrogen 3.317 N/A PHE 197.A N ALA 194.A O no hydrogen 3.105 N/A GLY 198.A N GLU 195.A O no hydrogen 3.191 N/A MET 199.A N ALA 194.A O no hydrogen 3.118 N/A TYR 202.A N ASP 164.A O no hydrogen 2.783 N/A LEU 203.A N ASP 164.A O no hydrogen 2.752 N/A ILE 204.A N ARG 237.A O no hydrogen 2.976 N/A ASP 205.A N VAL 166.A O no hydrogen 2.900 N/A ILE 206.A N ILE 239.A O no hydrogen 3.008 N/A GLY 207.A N ASP 205.A OD1 no hydrogen 3.003 N/A SER 211.A OG PHE 210.A O no hydrogen 2.597 N/A PHE 216.A N ALA 214.A O no hydrogen 2.647 N/A GLU 218.A N PRO 215.A O no hydrogen 2.511 N/A PHE 219.A N PRO 215.A O no hydrogen 3.409 N/A ALA 220.A N PHE 216.A O no hydrogen 2.770 N/A THR 222.A N GLU 218.A O no hydrogen 3.060 N/A THR 222.A OG1 PHE 219.A O no hydrogen 2.670 N/A ILE 223.A N PHE 219.A O no hydrogen 3.350 N/A GLU 224.A N ALA 220.A O no hydrogen 3.117 N/A LYS 225.A N ALA 221.A O no hydrogen 2.991 N/A LYS 225.A NZ GLU 229.A OE2 no hydrogen 2.696 N/A THR 226.A N THR 222.A O no hydrogen 2.930 N/A THR 226.A OG1 THR 222.A O no hydrogen 2.595 N/A ILE 227.A N ILE 223.A O no hydrogen 2.959 N/A GLU 229.A N LYS 225.A O no hydrogen 3.123 N/A LEU 230.A N THR 226.A O no hydrogen 3.107 N/A GLU 231.A N LYS 228.A O no hydrogen 3.293 N/A THR 236.A N PRO 233.A O no hydrogen 3.023 N/A THR 236.A OG1 PRO 233.A O no hydrogen 2.559 N/A ARG 237.A N TYR 202.A O no hydrogen 2.553 N/A ARG 237.A NH1 GLU 234.A O no hydrogen 3.217 N/A ARG 237.A NH1 THR 236.A O no hydrogen 2.764 N/A ILE 239.A N ILE 204.A O no hydrogen 2.952 N/A ALA 240.A N ARG 47.A O no hydrogen 3.085 N/A GLU 241.A N GLY 207.A O no hydrogen 2.688 N/A TYR 245.A OH ALA 35.A O no hydrogen 2.824 N/A ALA 247.A N GLY 243.A O no hydrogen 3.008 N/A SER 248.A N ARG 244.A O no hydrogen 3.198 N/A SER 248.A OG ARG 244.A O no hydrogen 3.374 N/A SER 248.A OG TYR 245.A O no hydrogen 3.402 N/A ALA 250.A N ALA 247.A O no hydrogen 3.335 N/A HIS 252.A N ILE 26.A O no hydrogen 2.917 N/A HIS 252.A NE2 ASP 28.A OD2 no hydrogen 3.036 N/A LEU 253.A N PHE 323.A O no hydrogen 3.189 N/A VAL 254.A N PHE 24.A O no hydrogen 2.930 N/A SER 255.A N LEU 321.A O no hydrogen 2.754 N/A SER 256.A N LEU 22.A O no hydrogen 3.149 N/A SER 256.A OG PRO 21.A O no hydrogen 2.625 N/A SER 256.A OG LEU 22.A O no hydrogen 3.193 N/A HIS 258.A N THR 274.A O no hydrogen 2.981 N/A LYS 260.A NZ MET 314.A O no hydrogen 3.280 N/A ARG 261.A N GLU 272.A O no hydrogen 2.933 N/A ARG 261.A NE GLU 272.A OE1 no hydrogen 3.118 N/A ARG 261.A NH2 GLU 272.A OE1 no hydrogen 2.615 N/A ARG 263.A N GLN 270.A O no hydrogen 2.984 N/A GLN 265.A N LYS 268.A O no hydrogen 3.379 N/A LYS 268.A N GLN 265.A O no hydrogen 3.454 N/A GLN 270.A N ARG 263.A O no hydrogen 2.954 N/A ILE 271.A N GLU 298.A O no hydrogen 3.374 N/A GLU 272.A N ARG 261.A O no hydrogen 2.831 N/A TYR 273.A N ILE 300.A O no hydrogen 2.788 N/A THR 274.A N GLY 259.A O no hydrogen 3.073 N/A SER 275.A N TYR 302.A O no hydrogen 3.036 N/A GLY 276.A N SER 256.A O no hydrogen 2.873 N/A CYS 283.A N GLN 309.A OE1 no hydrogen 2.727 N/A CYS 283.A SG GLN 309.A OE1 no hydrogen 3.287 N/A GLU 284.A N LEU 322.A O no hydrogen 3.375 N/A CYS 285.A SG THR 287.A OG1 no hydrogen 3.392 N/A CYS 285.A SG ASP 319.A OD1 no hydrogen 3.588 N/A CYS 285.A SG TRP 320.A O no hydrogen 3.926 N/A ILE 286.A N TRP 320.A O no hydrogen 3.354 N/A THR 287.A OG1 ASP 319.A OD1 no hydrogen 2.621 N/A THR 294.A N GLU 292.A O no hydrogen 2.943 N/A TYR 297.A N LEU 311.A O no hydrogen 2.905 N/A SER 299.A N GLN 309.A O no hydrogen 2.815 N/A SER 299.A OG TYR 297.A O no hydrogen 3.197 N/A ILE 300.A N ILE 271.A O no hydrogen 3.190 N/A ILE 301.A N ALA 307.A O no hydrogen 2.838 N/A TYR 302.A N TYR 273.A O no hydrogen 2.810 N/A TYR 302.A OH GLU 272.A OE1 no hydrogen 2.799 N/A VAL 306.A N ILE 301.A O no hydrogen 2.883 N/A ALA 307.A N ILE 301.A O no hydrogen 3.478 N/A GLN 309.A N SER 299.A O no hydrogen 2.993 N/A LEU 311.A N TYR 297.A O no hydrogen 2.950 N/A MET 314.A N TYR 273.A OH no hydrogen 2.768 N/A GLU 315.A N ASP 319.A OD2 no hydrogen 2.670 N/A LYS 318.A N GLU 315.A O no hydrogen 3.050 N/A ASP 319.A N GLU 315.A O no hydrogen 2.901 N/A TRP 320.A N THR 287.A OG1 no hydrogen 3.166 N/A LEU 321.A N SER 255.A O no hydrogen 2.872 N/A LEU 322.A N GLU 284.A O no hydrogen 3.182 N/A PHE 323.A N LEU 253.A O no hydrogen 2.692 N/A ASN 325.A N HIS 252.A ND1 no hydrogen 3.075 N/A MET 326.A N PHE 251.A O no hydrogen 2.753 N/A GLY 327.A N THR 330.A OG1 no hydrogen 2.769 N/A TYR 335.A N TRP 25.A O no hydrogen 2.799 N/A LEU 337.A N PHE 27.A O no hydrogen 3.003 N/A