Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3spi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A N ASP 252.A OD2 no hydrogen 3.317 N/A ARG 4.A NE VAL 6.A O no hydrogen 2.714 N/A ARG 4.A NE SER 275.A OG no hydrogen 3.114 N/A ARG 4.A NH1 GLU 280.A OE1 no hydrogen 3.285 N/A ARG 4.A NH1 GLU 280.A OE2 no hydrogen 2.737 N/A ARG 4.A NH2 SER 275.A OG no hydrogen 2.678 N/A ARG 4.A NH2 GLU 280.A OE1 no hydrogen 2.747 N/A PHE 5.A N GLU 254.A OE1 no hydrogen 2.957 N/A VAL 6.A N GLU 254.A OE2 no hydrogen 3.119 N/A LYS 7.A N GLN 11.A O no hydrogen 2.704 N/A LYS 8.A NZ HIS 158.A O no hydrogen 2.780 N/A LYS 8.A NZ SER 275.A O no hydrogen 2.882 N/A LYS 8.A NZ GLU 280.A OE1 no hydrogen 3.341 N/A GLY 10.A N LYS 7.A O no hydrogen 3.244 N/A GLN 11.A N ASN 9.A OD1 no hydrogen 2.995 N/A CYS 12.A SG GLY 10.A O no hydrogen 3.949 N/A ASN 13.A N PHE 5.A O no hydrogen 2.784 N/A ASN 13.A ND2 ARG 4.A O no hydrogen 3.433 N/A THR 17.A OG1 ASN 18.A OD1 no hydrogen 3.455 N/A LYS 22.A N ASP 20.A O no hydrogen 2.530 N/A ARG 25.A N ASP 21.A O no hydrogen 3.107 N/A TYR 26.A N LYS 22.A O no hydrogen 2.997 N/A ILE 27.A N PRO 23.A O no hydrogen 3.271 N/A ASP 29.A N ARG 25.A O no hydrogen 3.415 N/A MET 30.A N ILE 27.A O no hydrogen 3.363 N/A THR 32.A N ASP 29.A O no hydrogen 2.713 N/A THR 32.A OG1 ASP 29.A O no hydrogen 3.266 N/A THR 32.A OG1 ASP 29.A OD1 no hydrogen 2.751 N/A THR 32.A OG1 ASP 29.A OD2 no hydrogen 3.216 N/A THR 33.A N MET 30.A O no hydrogen 3.192 N/A CYS 34.A N MET 30.A O no hydrogen 3.226 N/A ASP 36.A N THR 33.A O no hydrogen 2.890 N/A TYR 41.A N ARG 38.A O no hydrogen 3.018 N/A MET 42.A N ARG 38.A O no hydrogen 3.174 N/A LEU 43.A N TRP 39.A O no hydrogen 2.813 N/A LEU 44.A N ARG 40.A O no hydrogen 2.896 N/A LEU 45.A N TYR 41.A O no hydrogen 2.914 N/A PHE 46.A N MET 42.A O no hydrogen 3.160 N/A SER 47.A N LEU 43.A O no hydrogen 2.825 N/A SER 47.A OG LEU 43.A O no hydrogen 2.658 N/A LEU 48.A N LEU 44.A O no hydrogen 2.769 N/A ALA 49.A N LEU 45.A O no hydrogen 3.095 N/A PHE 50.A N PHE 46.A O no hydrogen 2.890 N/A LEU 51.A N SER 47.A O no hydrogen 2.902 N/A VAL 52.A N LEU 48.A O no hydrogen 2.986 N/A SER 53.A N ALA 49.A O no hydrogen 3.012 N/A SER 53.A OG ALA 49.A O no hydrogen 3.099 N/A SER 53.A OG PHE 50.A O no hydrogen 2.662 N/A TRP 54.A N PHE 50.A O no hydrogen 2.931 N/A LEU 55.A N LEU 51.A O no hydrogen 3.035 N/A LEU 56.A N VAL 52.A O no hydrogen 3.007 N/A PHE 57.A N SER 53.A O no hydrogen 3.061 N/A GLY 58.A N TRP 54.A O no hydrogen 2.855 N/A LEU 59.A N LEU 55.A O no hydrogen 2.972 N/A ILE 60.A N LEU 56.A O no hydrogen 3.190 N/A PHE 61.A N PHE 57.A O no hydrogen 2.803 N/A TRP 62.A N GLY 58.A O no hydrogen 2.834 N/A LEU 63.A N LEU 59.A O no hydrogen 2.689 N/A ILE 64.A N ILE 60.A O no hydrogen 2.792 N/A ALA 65.A N PHE 61.A O no hydrogen 2.773 N/A LEU 66.A N TRP 62.A O no hydrogen 2.744 N/A ILE 67.A N LEU 63.A O no hydrogen 2.990 N/A HIS 68.A N ILE 64.A O no hydrogen 2.978 N/A HIS 68.A ND1 ASP 70.A OD1 no hydrogen 2.613 N/A GLY 69.A N ALA 65.A O no hydrogen 3.034 N/A GLY 69.A N LEU 66.A O no hydrogen 3.046 N/A ASP 70.A N ALA 65.A O no hydrogen 2.777 N/A ASN 73.A N ASP 70.A O no hydrogen 2.751 N/A GLY 76.A N ASN 73.A O no hydrogen 3.232 N/A ASP 77.A N PHE 80.A O no hydrogen 2.695 N/A THR 79.A N ASP 77.A OD1 no hydrogen 2.791 N/A THR 79.A OG1 ASP 77.A OD1 no hydrogen 2.837 N/A PHE 80.A N ASP 77.A O no hydrogen 3.132 N/A LYS 81.A NZ GLU 113.A OE2 no hydrogen 2.844 N/A LYS 81.A NZ GLU 114.A OE1 no hydrogen 3.507 N/A CYS 83.A N ASP 70.A OD2 no hydrogen 2.909 N/A LEU 85.A N CYS 110.A O no hydrogen 2.754 N/A GLN 86.A N PRO 74.A O no hydrogen 2.925 N/A ALA 93.A N GLY 89.A O no hydrogen 3.060 N/A PHE 94.A N PHE 90.A O no hydrogen 2.772 N/A LEU 95.A N VAL 91.A O no hydrogen 2.821 N/A PHE 96.A N ALA 92.A O no hydrogen 3.087 N/A SER 97.A N ALA 93.A O no hydrogen 3.155 N/A SER 97.A OG TRP 54.A O no hydrogen 2.729 N/A ILE 98.A N PHE 94.A O no hydrogen 3.040 N/A GLU 99.A N LEU 95.A O no hydrogen 2.851 N/A THR 100.A N PHE 96.A O no hydrogen 2.983 N/A THR 100.A OG1 PHE 96.A O no hydrogen 2.852 N/A GLN 101.A N SER 97.A O no hydrogen 3.055 N/A GLN 101.A NE2 SER 53.A OG no hydrogen 3.005 N/A THR 102.A N ILE 98.A O no hydrogen 2.846 N/A THR 102.A OG1 ILE 98.A O no hydrogen 2.600 N/A THR 102.A OG1 GLU 99.A O no hydrogen 3.348 N/A THR 103.A N THR 100.A O no hydrogen 3.202 N/A THR 103.A OG1 THR 102.A O no hydrogen 2.493 N/A GLY 105.A N GLU 99.A O no hydrogen 3.284 N/A ARG 109.A NE GLU 99.A OE2 no hydrogen 2.936 N/A ARG 109.A NH2 GLU 99.A OE2 no hydrogen 2.715 N/A CYS 110.A SG VAL 111.A O no hydrogen 3.348 N/A THR 112.A N CYS 83.A O no hydrogen 3.107 N/A THR 112.A OG1 PRO 82.A O no hydrogen 2.584 N/A THR 112.A OG1 CYS 83.A O no hydrogen 2.986 N/A VAL 119.A N CYS 115.A O no hydrogen 3.057 N/A PHE 120.A N PRO 116.A O no hydrogen 2.736 N/A MET 121.A N LEU 117.A O no hydrogen 2.761 N/A VAL 122.A N ALA 118.A O no hydrogen 2.897 N/A VAL 123.A N VAL 119.A O no hydrogen 2.890 N/A VAL 124.A N PHE 120.A O no hydrogen 2.799 N/A GLN 125.A N MET 121.A O no hydrogen 2.761 N/A GLN 125.A NE2 SER 97.A OG no hydrogen 2.918 N/A GLN 125.A NE2 GLN 101.A OE1 no hydrogen 3.391 N/A SER 126.A N VAL 122.A O no hydrogen 2.844 N/A SER 126.A OG VAL 122.A O no hydrogen 2.965 N/A ILE 127.A N VAL 123.A O no hydrogen 3.127 N/A VAL 128.A N VAL 124.A O no hydrogen 2.854 N/A GLY 129.A N GLN 125.A O no hydrogen 2.761 N/A CYS 130.A N SER 126.A O no hydrogen 3.111 N/A CYS 130.A SG SER 126.A O no hydrogen 3.320 N/A ILE 131.A N ILE 127.A O no hydrogen 3.157 N/A ILE 132.A N VAL 128.A O no hydrogen 3.142 N/A ASP 133.A N GLY 129.A O no hydrogen 3.209 N/A SER 134.A N CYS 130.A O no hydrogen 2.939 N/A SER 134.A OG CYS 130.A O no hydrogen 2.899 N/A PHE 135.A N ILE 131.A O no hydrogen 3.160 N/A MET 136.A N ILE 132.A O no hydrogen 2.999 N/A ILE 137.A N ASP 133.A O no hydrogen 2.855 N/A GLY 138.A N SER 134.A O no hydrogen 3.052 N/A ALA 139.A N PHE 135.A O no hydrogen 2.894 N/A ILE 140.A N MET 136.A O no hydrogen 2.821 N/A MET 141.A N ILE 137.A O no hydrogen 2.637 N/A ALA 142.A N GLY 138.A O no hydrogen 2.725 N/A LYS 143.A N ALA 139.A O no hydrogen 2.881 N/A LYS 143.A NZ VAL 35.A O no hydrogen 2.653 N/A LYS 143.A NZ ILE 37.A O no hydrogen 2.616 N/A MET 144.A N ILE 140.A O no hydrogen 2.883 N/A ALA 145.A N MET 141.A O no hydrogen 3.188 N/A ALA 145.A N ALA 142.A O no hydrogen 2.823 N/A ARG 146.A N LYS 143.A O no hydrogen 3.408 N/A ARG 146.A NH1 LYS 143.A O no hydrogen 2.908 N/A LYS 149.A N ARG 146.A O no hydrogen 3.439 N/A ARG 150.A N PRO 147.A O no hydrogen 3.075 N/A ARG 150.A NH1 ARG 150.A O no hydrogen 3.421 N/A ARG 150.A NH1 ASN 177.A OD1 no hydrogen 3.399 N/A ARG 150.A NH2 ASN 177.A OD1 no hydrogen 2.695 N/A ARG 150.A NH2 SER 181.A O no hydrogen 3.224 N/A ALA 151.A N LYS 148.A O no hydrogen 3.346 N/A GLN 152.A N LYS 149.A O no hydrogen 3.244 N/A THR 153.A N ARG 150.A O no hydrogen 2.977 N/A THR 153.A OG1 ARG 150.A O no hydrogen 2.816 N/A LEU 155.A N GLY 176.A O no hydrogen 3.052 N/A SER 157.A N ARG 174.A O no hydrogen 3.044 N/A SER 157.A OG ASN 159.A O no hydrogen 2.666 N/A SER 157.A OG TYR 276.A OH no hydrogen 2.941 N/A HIS 158.A N HIS 306.A ND1 no hydrogen 2.880 N/A HIS 158.A ND1 ASN 159.A OD1 no hydrogen 2.947 N/A ASN 159.A ND2 GLU 280.A O no hydrogen 3.194 N/A VAL 161.A N MET 172.A O no hydrogen 2.753 N/A VAL 162.A N LEU 282.A O no hydrogen 3.149 N/A ALA 163.A N CYS 170.A O no hydrogen 3.108 N/A ARG 165.A N LYS 168.A O no hydrogen 2.809 N/A LYS 168.A N ARG 165.A O no hydrogen 3.165 N/A CYS 170.A N ALA 163.A O no hydrogen 2.896 N/A CYS 170.A SG LYS 168.A O no hydrogen 3.686 N/A LEU 171.A N HIS 232.A O no hydrogen 2.771 N/A MET 172.A N VAL 161.A O no hydrogen 2.677 N/A TRP 173.A N ILE 230.A O no hydrogen 3.153 N/A ARG 174.A N SER 157.A OG no hydrogen 3.032 N/A ARG 174.A NH1 GLU 288.A O no hydrogen 2.851 N/A ARG 174.A NH1 HIS 304.A O no hydrogen 3.542 N/A ARG 174.A NH1 PHE 305.A O no hydrogen 2.897 N/A ARG 174.A NH2 GLU 288.A O no hydrogen 2.758 N/A VAL 175.A N ILE 228.A O no hydrogen 2.861 N/A GLY 176.A N LEU 155.A O no hydrogen 3.021 N/A ASN 177.A ND2 SER 181.A O no hydrogen 2.742 N/A LEU 178.A N THR 153.A O no hydrogen 2.808 N/A ARG 179.A N ASN 177.A OD1 no hydrogen 3.207 N/A HIS 182.A N GLU 264.A OE1 no hydrogen 3.187 N/A VAL 184.A N MET 262.A O no hydrogen 2.909 N/A HIS 187.A N GLU 260.A O no hydrogen 2.791 N/A VAL 188.A N ASP 220.A O no hydrogen 2.955 N/A ARG 189.A N ILE 258.A O no hydrogen 3.168 N/A ARG 189.A NH1 GLU 260.A OE2 no hydrogen 3.453 N/A GLN 191.A N VAL 256.A O no hydrogen 2.934 N/A GLN 191.A NE2 GLN 208.A OE1 no hydrogen 3.481 N/A LEU 192.A N ILE 209.A O no hydrogen 2.695 N/A ILE 193.A N GLU 254.A O no hydrogen 2.637 N/A LYS 194.A N ASP 207.A O no hydrogen 3.410 N/A ARG 196.A N ILE 204.A O no hydrogen 3.250 N/A ARG 196.A NE ASP 207.A OD2 no hydrogen 2.987 N/A THR 198.A N GLU 202.A O no hydrogen 3.005 N/A THR 198.A OG1 GLU 200.A OE1 no hydrogen 3.054 N/A GLU 200.A N THR 198.A OG1 no hydrogen 3.202 N/A GLY 201.A N THR 198.A O no hydrogen 2.616 N/A GLU 202.A N THR 198.A OG1 no hydrogen 3.426 N/A ILE 204.A N ARG 196.A O no hydrogen 2.888 N/A ASP 207.A N LYS 194.A O no hydrogen 3.058 N/A ILE 209.A N LEU 192.A O no hydrogen 3.006 N/A ILE 211.A N ALA 190.A O no hydrogen 2.831 N/A GLY 214.A N ASP 212.A OD1 no hydrogen 2.813 N/A LYS 217.A N GLY 214.A O no hydrogen 3.012 N/A GLY 218.A N PHE 215.A O no hydrogen 3.030 N/A LEU 219.A N GLY 214.A O no hydrogen 2.827 N/A ILE 222.A N ALA 186.A O no hydrogen 3.150 N/A ILE 228.A N VAL 175.A O no hydrogen 2.806 N/A ILE 230.A N TRP 173.A O no hydrogen 2.614 N/A HIS 232.A N LEU 171.A O no hydrogen 2.689 N/A HIS 232.A ND1 ASP 212.A O no hydrogen 2.992 N/A HIS 232.A NE2 SER 238.A OG no hydrogen 2.671 N/A ILE 234.A N LEU 169.A O no hydrogen 2.952 N/A ASN 235.A ND2 GLU 233.A OE2 no hydrogen 3.542 N/A ASP 237.A N ASN 235.A OD1 no hydrogen 3.055 N/A SER 238.A N ASN 235.A O no hydrogen 2.772 N/A SER 238.A OG HIS 232.A NE2 no hydrogen 2.671 N/A LEU 240.A N SER 238.A OG no hydrogen 3.156 N/A PHE 241.A N SER 238.A O no hydrogen 3.132 N/A ILE 243.A N LEU 240.A O no hydrogen 2.980 N/A SER 244.A N ASP 247.A OD2 no hydrogen 2.971 N/A SER 244.A OG ASP 247.A OD2 no hydrogen 2.561 N/A ARG 245.A N ARG 316.A O no hydrogen 2.908 N/A LEU 248.A N ARG 245.A O no hydrogen 3.344 N/A THR 250.A OG1 GLN 246.A O no hydrogen 3.480 N/A ASP 251.A N ASP 247.A O no hydrogen 2.913 N/A GLU 254.A N ILE 193.A O no hydrogen 2.969 N/A ILE 255.A N TYR 276.A O no hydrogen 2.774 N/A VAL 256.A N GLN 191.A O no hydrogen 2.748 N/A VAL 257.A N SER 274.A O no hydrogen 3.072 N/A ILE 258.A N ARG 189.A O no hydrogen 2.893 N/A LEU 259.A N ALA 272.A O no hydrogen 2.872 N/A GLU 260.A N HIS 187.A O no hydrogen 2.931 N/A GLY 261.A N THR 270.A O no hydrogen 3.217 N/A MET 262.A N VAL 184.A O no hydrogen 2.857 N/A VAL 263.A N MET 268.A O no hydrogen 3.104 N/A ALA 267.A N VAL 263.A O no hydrogen 2.590 N/A THR 270.A N GLY 261.A O no hydrogen 2.726 N/A THR 270.A OG1 PRO 147.A O no hydrogen 2.859 N/A GLN 271.A NE2 GLU 260.A OE2 no hydrogen 3.008 N/A ALA 272.A N LEU 259.A O no hydrogen 2.858 N/A ARG 273.A NE GLY 10.A O no hydrogen 3.154 N/A ARG 273.A NH1 GLN 271.A OE1 no hydrogen 2.837 N/A ARG 273.A NH2 GLY 10.A O no hydrogen 3.457 N/A SER 274.A N VAL 257.A O no hydrogen 3.139 N/A SER 274.A OG LYS 8.A O no hydrogen 3.192 N/A SER 275.A N SER 274.A OG no hydrogen 2.711 N/A SER 275.A OG GLU 254.A OE2 no hydrogen 2.520 N/A SER 275.A OG ILE 255.A O no hydrogen 3.400 N/A TYR 276.A N ILE 255.A O no hydrogen 2.802 N/A TYR 276.A OH SER 157.A O no hydrogen 2.613 N/A TYR 276.A OH SER 157.A OG no hydrogen 2.941 N/A LEU 277.A N GLU 280.A OE1 no hydrogen 2.805 N/A ALA 278.A N PHE 253.A O no hydrogen 3.398 N/A GLU 280.A N LEU 277.A O no hydrogen 2.626 N/A LEU 282.A N ALA 160.A O no hydrogen 2.667 N/A TRP 283.A NE1 PRO 315.A O no hydrogen 2.787 N/A GLY 284.A N VAL 162.A O no hydrogen 2.941 N/A HIS 285.A ND1 TRP 283.A O no hydrogen 3.077 N/A ARG 286.A N TYR 309.A O no hydrogen 3.025 N/A ARG 286.A NE TYR 309.A OH no hydrogen 2.796 N/A ARG 286.A NH2 TYR 309.A OH no hydrogen 3.165 N/A GLU 288.A N LYS 307.A O no hydrogen 2.933 N/A PHE 292.A N LYS 299.A O no hydrogen 3.140 N/A GLU 294.A N GLN 297.A O no hydrogen 3.066 N/A LYS 295.A NZ GLU 293.A O no hydrogen 3.489 N/A ASN 296.A ND2 LYS 295.A O no hydrogen 2.561 N/A GLN 297.A NE2 GLU 294.A OE2 no hydrogen 2.902 N/A LYS 299.A N PHE 292.A O no hydrogen 3.049 N/A ASP 301.A N VAL 290.A O no hydrogen 2.761 N/A SER 303.A N ASP 301.A OD1 no hydrogen 3.262 N/A SER 303.A OG ASP 301.A OD1 no hydrogen 2.717 N/A PHE 305.A N TYR 302.A O no hydrogen 3.221 N/A LYS 307.A N HIS 304.A O no hydrogen 3.230 N/A TYR 309.A N ARG 286.A O no hydrogen 2.895 N/A VAL 311.A N GLY 284.A O no hydrogen 2.797 N/A THR 314.A N VAL 311.A O no hydrogen 2.960 N/A THR 314.A OG1 VAL 311.A O no hydrogen 2.806 N/A SER 318.A N ASP 321.A OD2 no hydrogen 3.375 N/A SER 318.A OG ASP 321.A OD2 no hydrogen 2.800 N/A LYS 320.A N PHE 241.A O no hydrogen 2.996 N/A ASP 321.A N SER 318.A OG no hydrogen 3.221 N/A LEU 322.A N SER 318.A O no hydrogen 2.828 N/A VAL 323.A N ALA 319.A O no hydrogen 2.716 N/A GLU 324.A N LYS 320.A O no hydrogen 2.850 N/A ASN 325.A N ASP 321.A O no hydrogen 2.652 N/A LYS 326.A N LEU 322.A O no hydrogen 3.216 N/A PHE 327.A N VAL 323.A O no hydrogen 3.323 N/A PHE 327.A N GLU 324.A O no hydrogen 3.119 N/A LEU 328.A N ASN 325.A O no hydrogen 2.885 N/A LEU 329.A N ASN 325.A O no hydrogen 3.243 N/A SER 330.A N LYS 326.A O no hydrogen 2.956 N/A ASN 331.A N LEU 328.A O no hydrogen 2.773 N/A SER 332.A N LEU 329.A O no hydrogen 3.144 N/A SER 332.A OG ASN 331.A O no hydrogen 2.600 N/A SER 332.A OG ASN 331.A OD1 no hydrogen 3.431 N/A