Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c5w_P.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N ARG 190.A O no hydrogen 2.920 N/A GLN 10.A N PRO 7.A O no hydrogen 3.258 N/A TYR 11.A N TRP 8.A O no hydrogen 2.774 N/A TYR 11.A OH GLU 187.A OE2 no hydrogen 2.906 N/A PHE 12.A N TRP 8.A O no hydrogen 3.014 N/A SER 14.A N LYS 33.A O no hydrogen 3.258 N/A GLU 16.A N VAL 31.A O no hydrogen 2.977 N/A VAL 20.A N ASP 27.A O no hydrogen 2.830 N/A ASN 22.A N GLY 25.A O no hydrogen 3.028 N/A LYS 26.A NZ GLU 19.A OE2 no hydrogen 2.919 N/A ASP 27.A N VAL 20.A O no hydrogen 2.690 N/A THR 28.A N LYS 81.A O no hydrogen 3.010 N/A PHE 29.A N VAL 18.A O no hydrogen 2.989 N/A ARG 30.A NE ASP 17.A OD1 no hydrogen 3.050 N/A ARG 30.A NE ASP 17.A OD2 no hydrogen 3.429 N/A ARG 30.A NH1 TYR 32.A OH no hydrogen 3.444 N/A ARG 30.A NH2 ASP 17.A OD1 no hydrogen 3.372 N/A ARG 30.A NH2 ASP 17.A OD2 no hydrogen 3.081 N/A VAL 31.A N GLU 16.A O no hydrogen 2.763 N/A TYR 32.A N ALA 71.A O no hydrogen 3.003 N/A LYS 33.A N SER 14.A O no hydrogen 2.980 N/A LYS 33.A NZ GLU 16.A OE1 no hydrogen 3.198 N/A SER 34.A N ILE 69.A O no hydrogen 3.351 N/A SER 34.A OG GLU 13.A OE2 no hydrogen 2.632 N/A GLY 35.A N GLU 13.A OE1 no hydrogen 3.272 N/A VAL 40.A N PRO 111.A O no hydrogen 2.696 N/A LEU 41.A N ARG 68.A O no hydrogen 2.718 N/A LEU 42.A N MET 113.A O no hydrogen 2.827 N/A LEU 43.A N VAL 70.A O no hydrogen 2.888 N/A LEU 44.A N ILE 115.A O no hydrogen 2.848 N/A HIS 45.A ND1 GLY 46.A O no hydrogen 2.728 N/A GLY 48.A N HIS 77.A NE2 no hydrogen 2.926 N/A HIS 49.A N GLY 46.A O no hydrogen 3.310 N/A ALA 51.A N ASP 73.A OD1 no hydrogen 2.660 N/A SER 53.A N SER 50.A O no hydrogen 3.025 N/A SER 53.A OG SER 50.A O no hydrogen 3.302 N/A SER 53.A OG GLU 271.A OE2 no hydrogen 3.051 N/A TRP 54.A N ALA 51.A O no hydrogen 3.026 N/A ALA 55.A N LEU 52.A O no hydrogen 3.126 N/A THR 58.A N TRP 54.A O no hydrogen 2.893 N/A THR 58.A OG1 TRP 54.A O no hydrogen 2.756 N/A ALA 59.A N ALA 55.A O no hydrogen 3.355 N/A ALA 60.A N VAL 56.A O no hydrogen 3.048 N/A ILE 61.A N PHE 57.A O no hydrogen 2.830 N/A ILE 62.A N THR 58.A O no hydrogen 2.969 N/A SER 63.A OG ALA 59.A O no hydrogen 3.261 N/A SER 63.A OG ALA 60.A O no hydrogen 2.976 N/A ARG 64.A N ILE 61.A O no hydrogen 2.842 N/A ARG 64.A NH1 ASP 275.A OD1 no hydrogen 3.567 N/A ARG 64.A NH2 ASP 275.A OD1 no hydrogen 3.164 N/A VAL 65.A N ILE 61.A O no hydrogen 3.008 N/A GLN 66.A N GLU 292.A O no hydrogen 2.957 N/A CYS 67.A SG VAL 65.A O no hydrogen 3.549 N/A ARG 68.A N PRO 39.A O no hydrogen 2.758 N/A ARG 68.A NH1 SER 36.A O no hydrogen 3.209 N/A ILE 69.A N SER 34.A O no hydrogen 2.869 N/A VAL 70.A N LEU 41.A O no hydrogen 2.966 N/A ALA 71.A N TYR 32.A O no hydrogen 3.062 N/A LEU 72.A N LEU 43.A O no hydrogen 3.129 N/A ASP 73.A N ARG 30.A O no hydrogen 3.197 N/A LEU 74.A N HIS 45.A NE2 no hydrogen 2.934 N/A ARG 75.A NE ASP 87.A O no hydrogen 2.856 N/A ARG 75.A NH1 ASP 96.A OD2 no hydrogen 2.491 N/A SER 76.A OG PRO 85.A O no hydrogen 2.591 N/A HIS 77.A N LEU 74.A O no hydrogen 2.938 N/A HIS 77.A ND1 ARG 75.A O no hydrogen 2.729 N/A GLU 79.A N ASP 73.A OD2 no hydrogen 2.979 N/A THR 80.A N HIS 77.A O no hydrogen 3.065 N/A THR 80.A OG1 PHE 29.A O no hydrogen 2.309 N/A THR 80.A OG1 ASP 73.A O no hydrogen 2.601 N/A THR 80.A OG1 LEU 74.A O no hydrogen 3.504 N/A THR 80.A OG1 HIS 77.A O no hydrogen 3.478 N/A LYS 81.A N THR 28.A O no hydrogen 2.920 N/A LYS 81.A NZ GLU 79.A OE1 no hydrogen 2.777 N/A LYS 83.A N ASP 27.A OD1 no hydrogen 2.755 N/A SER 89.A OG ASP 87.A OD1 no hydrogen 3.268 N/A SER 89.A OG GLU 91.A OE2 no hydrogen 3.555 N/A THR 92.A N SER 89.A OG no hydrogen 3.323 N/A THR 92.A OG1 ASP 87.A OD2 no hydrogen 2.767 N/A THR 92.A OG1 SER 89.A OG no hydrogen 2.696 N/A MET 93.A N SER 89.A O no hydrogen 3.159 N/A ALA 94.A N ALA 90.A O no hydrogen 3.167 N/A LYS 95.A N GLU 91.A O no hydrogen 2.824 N/A ASP 96.A N THR 92.A O no hydrogen 2.988 N/A VAL 97.A N MET 93.A O no hydrogen 3.236 N/A GLY 98.A N ALA 94.A O no hydrogen 3.074 N/A ASN 99.A N LYS 95.A O no hydrogen 3.050 N/A VAL 100.A N ASP 96.A O no hydrogen 2.951 N/A VAL 101.A N VAL 97.A O no hydrogen 3.228 N/A GLU 102.A N GLY 98.A O no hydrogen 3.094 N/A ALA 103.A N ASN 99.A O no hydrogen 2.825 N/A MET 104.A N VAL 100.A O no hydrogen 2.882 N/A TYR 105.A N VAL 101.A O no hydrogen 2.872 N/A ASP 107.A N TYR 105.A O no hydrogen 2.733 N/A MET 113.A N VAL 40.A O no hydrogen 2.848 N/A LEU 114.A N GLY 138.A O no hydrogen 3.088 N/A ILE 115.A N LEU 42.A O no hydrogen 2.937 N/A GLY 116.A N CYS 140.A O no hydrogen 2.826 N/A HIS 117.A N LEU 44.A O no hydrogen 2.761 N/A HIS 117.A NE2 HIS 267.A O no hydrogen 2.881 N/A ALA 118.A N ILE 142.A O no hydrogen 3.106 N/A GLY 121.A N HIS 117.A O no hydrogen 2.994 N/A ALA 122.A N ALA 118.A O no hydrogen 3.172 N/A ILE 123.A N MET 119.A O no hydrogen 3.122 N/A ALA 124.A N GLY 120.A O no hydrogen 3.044 N/A VAL 125.A N GLY 121.A O no hydrogen 3.289 N/A HIS 126.A N ALA 122.A O no hydrogen 3.016 N/A THR 127.A N ILE 123.A O no hydrogen 2.793 N/A THR 127.A OG1 ILE 123.A O no hydrogen 2.693 N/A ALA 128.A N ALA 124.A O no hydrogen 2.905 N/A SER 129.A N VAL 125.A O no hydrogen 2.708 N/A SER 130.A N HIS 126.A O no hydrogen 3.384 N/A SER 130.A OG HIS 126.A O no hydrogen 3.410 N/A ASN 131.A N ALA 128.A O no hydrogen 2.848 N/A ASN 131.A ND2 ASN 131.A O no hydrogen 3.319 N/A LEU 132.A N THR 127.A O no hydrogen 3.091 N/A SER 135.A OG PRO 110.A O no hydrogen 2.580 N/A LEU 136.A N VAL 133.A O no hydrogen 3.411 N/A LEU 137.A N ILE 112.A O no hydrogen 2.800 N/A LEU 139.A N PRO 233.A O no hydrogen 3.180 N/A CYS 140.A N LEU 114.A O no hydrogen 2.750 N/A CYS 140.A SG LEU 235.A O no hydrogen 3.828 N/A MET 141.A N LEU 235.A O no hydrogen 2.897 N/A ILE 142.A N GLY 116.A O no hydrogen 2.730 N/A ASP 143.A N LEU 237.A O no hydrogen 2.629 N/A GLY 147.A N ASP 245.A OD2 no hydrogen 2.910 N/A THR 148.A OG1 VAL 145.A O no hydrogen 3.198 N/A THR 148.A OG1 ARG 243.A O no hydrogen 2.789 N/A ALA 149.A N VAL 145.A O no hydrogen 2.951 N/A MET 150.A N GLU 146.A O no hydrogen 2.817 N/A ASP 151.A N GLY 147.A O no hydrogen 3.177 N/A ALA 152.A N ALA 149.A O no hydrogen 3.098 N/A SER 155.A OG ALA 152.A O no hydrogen 3.124 N/A MET 156.A N ALA 152.A O no hydrogen 3.040 N/A GLN 157.A N LEU 153.A O no hydrogen 3.071 N/A GLN 157.A NE2 GLN 157.A O no hydrogen 3.388 N/A ASN 158.A N ASN 154.A O no hydrogen 3.000 N/A PHE 159.A N SER 155.A O no hydrogen 3.044 N/A LEU 160.A N MET 156.A O no hydrogen 3.318 N/A ARG 161.A N GLN 157.A O no hydrogen 3.395 N/A GLY 162.A N PHE 159.A O no hydrogen 2.920 N/A ARG 163.A N PHE 159.A O no hydrogen 2.978 N/A ARG 163.A N LEU 160.A O no hydrogen 3.113 N/A PHE 167.A N TYR 203.A O no hydrogen 2.727 N/A SER 169.A OG GLU 171.A OE1 no hydrogen 3.569 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.923 N/A ASN 172.A N SER 169.A OG no hydrogen 3.404 N/A ALA 173.A N SER 169.A O no hydrogen 3.098 N/A ILE 174.A N LEU 170.A O no hydrogen 3.047 N/A GLU 175.A N GLU 171.A O no hydrogen 2.840 N/A TRP 176.A N ASN 172.A O no hydrogen 2.784 N/A SER 177.A N ALA 173.A O no hydrogen 3.070 N/A SER 177.A OG ALA 173.A O no hydrogen 3.501 N/A SER 177.A OG ILE 174.A O no hydrogen 2.547 N/A VAL 178.A N ILE 174.A O no hydrogen 3.409 N/A LYS 179.A N GLU 175.A O no hydrogen 2.905 N/A LYS 179.A NZ GLU 175.A OE2 no hydrogen 3.006 N/A SER 180.A N TRP 176.A O no hydrogen 2.707 N/A SER 180.A OG TRP 176.A O no hydrogen 2.937 N/A SER 180.A OG SER 177.A O no hydrogen 3.550 N/A GLY 181.A N SER 177.A O no hydrogen 3.286 N/A GLN 182.A NE2 GLN 196.A OE1 no hydrogen 3.586 N/A ILE 183.A N SER 177.A O no hydrogen 3.082 N/A ARG 184.A N ASP 272.A OD1 no hydrogen 2.707 N/A ARG 184.A NH2 GLN 264.A O no hydrogen 2.969 N/A ASN 185.A ND2 GLU 271.A O no hydrogen 3.116 N/A GLU 187.A N ASN 185.A OD1 no hydrogen 3.199 N/A SER 188.A OG GLU 271.A OE1 no hydrogen 2.722 N/A ALA 189.A N ASN 185.A O no hydrogen 2.903 N/A ARG 190.A N LEU 186.A O no hydrogen 2.980 N/A VAL 191.A N SER 188.A O no hydrogen 3.320 N/A SER 192.A N SER 188.A O no hydrogen 2.903 N/A SER 192.A OG SER 188.A O no hydrogen 3.143 N/A SER 192.A OG GLU 271.A OE1 no hydrogen 2.922 N/A SER 192.A OG GLU 271.A OE2 no hydrogen 3.240 N/A MET 193.A N ALA 189.A O no hydrogen 3.115 N/A GLY 195.A N SER 192.A O no hydrogen 3.055 N/A GLN 196.A N MET 193.A O no hydrogen 3.133 N/A GLN 196.A NE2 GLN 182.A OE1 no hydrogen 3.405 N/A LYS 198.A N THR 204.A O no hydrogen 2.917 N/A CYS 200.A SG GLN 199.A O no hydrogen 3.209 N/A TYR 203.A N PHE 167.A O no hydrogen 3.064 N/A THR 204.A N LYS 198.A O no hydrogen 2.951 N/A THR 204.A OG1 LYS 165.A O no hydrogen 3.436 N/A TRP 205.A NE1 PRO 164.A O no hydrogen 2.776 N/A ARG 206.A N GLN 196.A O no hydrogen 2.991 N/A ARG 206.A NE VAL 197.A O no hydrogen 3.052 N/A ARG 206.A NH1 GLY 78.A O no hydrogen 3.153 N/A ARG 206.A NH1 GLU 79.A OE2 no hydrogen 3.023 N/A ARG 206.A NH2 VAL 194.A O no hydrogen 3.381 N/A ARG 206.A NH2 VAL 197.A O no hydrogen 2.687 N/A LYS 211.A N GLU 208.A O no hydrogen 2.969 N/A THR 212.A N LEU 209.A O no hydrogen 3.113 N/A THR 212.A OG1 LEU 209.A O no hydrogen 2.643 N/A GLU 213.A N ALA 210.A O no hydrogen 3.451 N/A TYR 215.A N THR 212.A O no hydrogen 2.956 N/A TYR 215.A OH GLU 86.A O no hydrogen 3.356 N/A TYR 215.A OH GLU 86.A OE2 no hydrogen 3.195 N/A TRP 216.A N GLU 213.A O no hydrogen 3.180 N/A TRP 216.A NE1 THR 212.A OG1 no hydrogen 2.912 N/A TRP 219.A N TYR 215.A O no hydrogen 3.201 N/A TRP 219.A N TRP 216.A O no hydrogen 3.215 N/A TRP 219.A NE1 LEU 88.A O no hydrogen 2.936 N/A PHE 220.A N TRP 216.A O no hydrogen 3.332 N/A ARG 221.A N ASP 217.A O no hydrogen 3.029 N/A ARG 221.A NE ASP 217.A OD1 no hydrogen 3.313 N/A ARG 221.A NE ASP 217.A OD2 no hydrogen 2.965 N/A ARG 221.A NH2 ASP 217.A OD1 no hydrogen 3.307 N/A GLY 222.A N GLU 146.A OE2 no hydrogen 2.649 N/A LEU 223.A N PHE 220.A O no hydrogen 3.068 N/A SER 224.A N GLU 146.A OE1 no hydrogen 3.070 N/A SER 224.A OG ASP 245.A OD1 no hydrogen 3.353 N/A SER 224.A OG ASP 245.A OD2 no hydrogen 2.686 N/A LEU 226.A N GLY 222.A O no hydrogen 2.875 N/A PHE 227.A N LEU 223.A O no hydrogen 2.799 N/A LEU 228.A N SER 224.A O no hydrogen 2.918 N/A SER 229.A N LEU 226.A O no hydrogen 3.022 N/A SER 229.A OG LEU 226.A O no hydrogen 2.915 N/A CYS 230.A N PHE 227.A O no hydrogen 3.406 N/A CYS 230.A SG LEU 226.A O no hydrogen 3.393 N/A CYS 230.A SG PHE 227.A O no hydrogen 3.849 N/A ILE 232.A N CYS 230.A O no hydrogen 2.678 N/A LYS 234.A NZ CYS 230.A O no hydrogen 2.740 N/A LYS 234.A NZ ILE 232.A O no hydrogen 3.337 N/A LEU 235.A N LEU 139.A O no hydrogen 2.738 N/A LEU 236.A N GLN 258.A O no hydrogen 2.793 N/A LEU 237.A N MET 141.A O no hydrogen 2.995 N/A LEU 238.A N GLN 260.A O no hydrogen 3.001 N/A ALA 239.A N ASP 143.A OD1 no hydrogen 3.122 N/A ARG 243.A N GLY 240.A O no hydrogen 3.066 N/A ARG 243.A NE ASP 143.A OD1 no hydrogen 2.847 N/A ARG 243.A NH1 ASP 242.A OD1 no hydrogen 3.442 N/A ARG 243.A NH1 ASP 242.A OD2 no hydrogen 3.414 N/A ARG 243.A NH2 ASP 143.A OD1 no hydrogen 3.434 N/A ARG 243.A NH2 ASP 143.A OD2 no hydrogen 3.139 N/A LEU 244.A N VAL 241.A O no hydrogen 3.180 N/A LEU 248.A N ASP 245.A OD1 no hydrogen 2.934 N/A THR 249.A N ASP 245.A O no hydrogen 3.140 N/A THR 249.A OG1 ASP 245.A O no hydrogen 2.696 N/A ILE 250.A N LYS 246.A O no hydrogen 3.070 N/A GLY 251.A N ASP 247.A O no hydrogen 3.036 N/A GLN 252.A N LEU 248.A O no hydrogen 2.727 N/A MET 253.A N THR 249.A O no hydrogen 2.992 N/A GLN 254.A N ILE 250.A O no hydrogen 3.049 N/A GLY 255.A N GLN 252.A O no hydrogen 3.073 N/A LYS 256.A N GLY 251.A O no hydrogen 3.070 N/A GLN 258.A N LYS 234.A O no hydrogen 3.128 N/A GLN 258.A NE2 GLN 260.A OE1 no hydrogen 2.817 N/A GLN 260.A N LEU 236.A O no hydrogen 3.061 N/A LEU 262.A N LEU 238.A O no hydrogen 2.768 N/A CYS 265.A N LEU 262.A O no hydrogen 3.013 N/A CYS 265.A SG GLN 264.A OE1 no hydrogen 3.363 N/A CYS 265.A SG VAL 269.A O no hydrogen 3.898 N/A GLY 266.A N ASP 272.A OD2 no hydrogen 2.959 N/A HIS 267.A ND1 ASP 143.A OD2 no hydrogen 2.482 N/A GLU 271.A N ALA 268.A O no hydrogen 2.955 N/A ASP 272.A N ALA 268.A O no hydrogen 2.810 N/A ALA 273.A N VAL 269.A O no hydrogen 2.815 N/A VAL 277.A N ALA 273.A O no hydrogen 3.089 N/A ALA 278.A N PRO 274.A O no hydrogen 2.975 N/A GLU 279.A N ASP 275.A O no hydrogen 3.121 N/A ALA 280.A N LYS 276.A O no hydrogen 3.031 N/A VAL 281.A N VAL 277.A O no hydrogen 3.110 N/A ALA 282.A N ALA 278.A O no hydrogen 2.761 N/A THR 283.A N GLU 279.A O no hydrogen 2.963 N/A THR 283.A OG1 GLU 279.A O no hydrogen 2.943 N/A PHE 284.A N ALA 280.A O no hydrogen 2.943 N/A LEU 285.A N VAL 281.A O no hydrogen 2.892 N/A ILE 286.A N ALA 282.A O no hydrogen 2.934 N/A ARG 287.A N THR 283.A O no hydrogen 2.887 N/A HIS 288.A N PHE 284.A O no hydrogen 3.136 N/A ARG 289.A N ILE 286.A O no hydrogen 2.992 N/A PHE 290.A N LEU 285.A O no hydrogen 2.838 N/A ILE 294.A N ARG 64.A O no hydrogen 3.112 N/A