Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1sg3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N LEU 141.A O no hydrogen 2.941 N/A ASP 8.A N SER 5.A O no hydrogen 2.617 N/A GLU 9.A N LEU 6.A O no hydrogen 3.361 N/A PHE 12.A N ASP 8.A O no hydrogen 3.059 N/A LYS 13.A N GLU 9.A O no hydrogen 2.823 N/A SER 14.A N ALA 10.A O no hydrogen 3.223 N/A SER 14.A OG ALA 10.A O no hydrogen 2.596 N/A ILE 15.A N GLU 11.A O no hydrogen 2.970 N/A ILE 16.A N PHE 12.A O no hydrogen 2.996 N/A ILE 17.A N LYS 13.A O no hydrogen 2.644 N/A SER 18.A OG SER 14.A O no hydrogen 2.611 N/A LYS 19.A N SER 14.A O no hydrogen 2.897 N/A ASN 20.A ND2 ILE 15.A O no hydrogen 2.611 N/A LYS 21.A NZ SER 18.A O no hydrogen 2.721 N/A ALA 22.A N ILE 16.A O no hydrogen 3.280 N/A VAL 23.A N GLY 173.A O no hydrogen 2.817 N/A VAL 25.A N LEU 171.A O no hydrogen 3.073 N/A ILE 26.A N ASP 24.A OD1 no hydrogen 3.405 N/A GLY 27.A N ASP 24.A O no hydrogen 3.180 N/A SER 28.A N ILE 49.A O no hydrogen 2.976 N/A SER 28.A OG ILE 49.A O no hydrogen 2.971 N/A SER 28.A OG GLN 50.A OE1 no hydrogen 3.284 N/A LEU 30.A N GLY 27.A O no hydrogen 3.223 N/A GLY 31.A N SER 28.A O no hydrogen 2.878 N/A GLY 32.A N GLY 27.A O no hydrogen 2.753 N/A GLN 33.A N LYS 78.A O no hydrogen 2.951 N/A VAL 35.A N ILE 76.A O no hydrogen 2.723 N/A PHE 37.A N SER 36.A OG no hydrogen 2.670 N/A SER 38.A N TRP 74.A O no hydrogen 2.999 N/A SER 38.A OG ASP 73.A OD1 no hydrogen 2.588 N/A SER 38.A OG TRP 74.A O no hydrogen 3.133 N/A TRP 41.A N ASP 39.A OD2 no hydrogen 3.306 N/A PHE 42.A N GLU 63.A O no hydrogen 3.026 N/A ALA 43.A N GLU 63.A O no hydrogen 3.237 N/A ALA 45.A N GLU 40.A OE2 no hydrogen 2.788 N/A ASN 47.A N SER 44.A O no hydrogen 3.152 N/A ASN 47.A ND2 GLY 61.A O no hydrogen 2.959 N/A LEU 48.A N ALA 45.A O no hydrogen 3.158 N/A ILE 49.A N GLU 46.A O no hydrogen 3.405 N/A GLN 50.A N ASN 47.A O no hydrogen 3.438 N/A ILE 55.A N ASP 60.A OD2 no hydrogen 3.062 N/A TRP 62.A N ILE 166.A O no hydrogen 2.692 N/A TRP 62.A NE1 ASP 39.A O no hydrogen 2.917 N/A GLU 63.A N ALA 43.A O no hydrogen 3.300 N/A THR 64.A N GLY 164.A O no hydrogen 3.068 N/A THR 64.A OG1 ASP 73.A OD2 no hydrogen 2.941 N/A ARG 65.A N ASP 39.A OD2 no hydrogen 2.676 N/A ARG 65.A NH1 ARG 65.A O no hydrogen 3.052 N/A ARG 65.A NH1 ASP 73.A OD2 no hydrogen 3.004 N/A ARG 65.A NH2 ASP 73.A OD1 no hydrogen 3.318 N/A ARG 65.A NH2 ASP 73.A OD2 no hydrogen 3.511 N/A ASN 68.A N ASP 163.A OD2 no hydrogen 2.827 N/A TYR 72.A OH GLU 120.A OE1 no hydrogen 2.933 N/A TYR 72.A OH GLU 120.A OE2 no hydrogen 3.176 N/A ASP 73.A N MET 160.A O no hydrogen 2.804 N/A TRP 74.A N SER 38.A OG no hydrogen 2.729 N/A VAL 75.A N LEU 158.A O no hydrogen 3.042 N/A ILE 76.A N SER 36.A O no hydrogen 3.054 N/A ILE 77.A N ILE 156.A O no hydrogen 2.922 N/A LYS 78.A N GLN 33.A O no hydrogen 2.794 N/A MET 79.A N THR 154.A O no hydrogen 3.099 N/A GLY 80.A N VAL 25.A O no hydrogen 3.159 N/A ALA 84.A N PHE 153.A O no hydrogen 3.044 N/A HIS 85.A N ARG 174.A O no hydrogen 2.955 N/A HIS 85.A ND1 THR 149.A O no hydrogen 2.727 N/A ILE 86.A N THR 149.A OG1 no hydrogen 3.228 N/A ILE 87.A N TYR 172.A O no hydrogen 3.369 N/A GLY 89.A N PHE 142.A O no hydrogen 2.933 N/A GLU 90.A N ARG 170.A O no hydrogen 2.662 N/A ILE 91.A N HIS 140.A O no hydrogen 3.139 N/A ASP 92.A N ARG 168.A O no hydrogen 2.853 N/A THR 93.A N GLN 138.A O no hydrogen 2.911 N/A THR 93.A OG1 GLY 135.A O no hydrogen 2.831 N/A THR 93.A OG1 GLN 138.A O no hydrogen 3.369 N/A ALA 94.A N ASP 92.A OD1 no hydrogen 3.182 N/A PHE 95.A N SER 137.A OG no hydrogen 3.090 N/A PHE 96.A N THR 93.A O no hydrogen 2.886 N/A GLY 98.A N HIS 100.A ND1 no hydrogen 3.253 N/A ALA 101.A N GLY 165.A O no hydrogen 3.119 N/A VAL 104.A N PHE 132.A O no hydrogen 2.872 N/A SER 105.A N LYS 159.A O no hydrogen 3.384 N/A SER 105.A OG TYR 161.A OH no hydrogen 2.674 N/A ILE 106.A N VAL 129.A O no hydrogen 2.965 N/A GLU 107.A N LYS 157.A O no hydrogen 2.872 N/A ALA 108.A N VAL 126.A O no hydrogen 2.720 N/A LEU 109.A N HIS 155.A O no hydrogen 3.098 N/A ASP 111.A N THR 154.A OG1 no hydrogen 2.982 N/A GLU 115.A N GLY 113.A O no hydrogen 2.482 N/A ASP 122.A N VAL 119.A O no hydrogen 2.944 N/A ARG 124.A N ASP 122.A OD2 no hydrogen 2.702 N/A ARG 124.A NE TYR 110.A O no hydrogen 3.295 N/A TRP 125.A NE1 VAL 119.A O no hydrogen 3.266 N/A VAL 126.A N ALA 108.A O no hydrogen 2.657 N/A ILE 128.A N ILE 106.A O no hydrogen 2.826 N/A VAL 129.A N ILE 106.A O no hydrogen 3.095 N/A PHE 132.A N VAL 104.A O no hydrogen 2.843 N/A CYS 134.A N PRO 102.A O no hydrogen 2.993 N/A GLY 135.A N HIS 140.A NE2 no hydrogen 2.943 N/A SER 137.A N PHE 96.A O no hydrogen 3.203 N/A GLN 138.A N THR 93.A OG1 no hydrogen 3.043 N/A ARG 139.A NE GLU 90.A OE1 no hydrogen 3.095 N/A ARG 139.A NE GLU 90.A OE2 no hydrogen 2.702 N/A ARG 139.A NH1 GLU 9.A OE1 no hydrogen 3.282 N/A ARG 139.A NH1 GLU 9.A OE2 no hydrogen 2.972 N/A ARG 139.A NH2 GLU 9.A OE1 no hydrogen 2.879 N/A ARG 139.A NH2 GLU 90.A OE1 no hydrogen 2.579 N/A HIS 140.A N ILE 91.A O no hydrogen 2.840 N/A PHE 142.A N GLY 89.A O no hydrogen 3.007 N/A VAL 143.A N LYS 2.A O no hydrogen 3.026 N/A ARG 144.A N ILE 87.A O no hydrogen 2.729 N/A ARG 144.A NE ILE 128.A O no hydrogen 3.036 N/A ARG 144.A NH1 GLY 147.A O no hydrogen 2.575 N/A GLY 147.A N ARG 144.A O no hydrogen 2.876 N/A THR 149.A N ILE 86.A O no hydrogen 3.026 N/A THR 149.A OG1 GLU 151.A O no hydrogen 3.012 N/A PHE 153.A N ALA 84.A O no hydrogen 2.978 N/A THR 154.A N LEU 109.A O no hydrogen 3.083 N/A THR 154.A OG1 LEU 109.A O no hydrogen 3.235 N/A HIS 155.A N LEU 109.A O no hydrogen 3.134 N/A ILE 156.A N ILE 77.A O no hydrogen 2.944 N/A LYS 157.A N GLU 107.A O no hydrogen 2.704 N/A LYS 157.A NZ GLU 120.A OE1 no hydrogen 2.817 N/A LEU 158.A N VAL 75.A O no hydrogen 3.096 N/A LYS 159.A N SER 105.A O no hydrogen 3.124 N/A LYS 159.A NZ GLU 107.A OE1 no hydrogen 2.675 N/A MET 160.A N ASP 73.A O no hydrogen 2.889 N/A TYR 161.A N PHE 103.A O no hydrogen 3.142 N/A TYR 161.A OH SER 105.A OG no hydrogen 2.674 N/A GLY 164.A N THR 64.A OG1 no hydrogen 3.308 N/A GLY 165.A N ASN 99.A O no hydrogen 2.828 N/A ILE 166.A N TRP 62.A O no hydrogen 2.920 N/A ALA 167.A N ASP 92.A O no hydrogen 2.589 N/A ARG 168.A N ASP 92.A O no hydrogen 2.965 N/A ARG 168.A NE GLN 50.A O no hydrogen 3.243 N/A ARG 168.A NE THR 52.A O no hydrogen 3.141 N/A ARG 168.A NH1 ASP 60.A O no hydrogen 3.394 N/A ARG 168.A NH1 ASP 60.A OD1 no hydrogen 2.958 N/A ARG 168.A NH1 ALA 167.A O no hydrogen 3.069 N/A ARG 168.A NH2 THR 52.A O no hydrogen 3.116 N/A ARG 168.A NH2 ASP 60.A OD1 no hydrogen 3.295 N/A ARG 168.A NH2 ASP 60.A OD2 no hydrogen 2.990 N/A PHE 169.A N LEU 48.A O no hydrogen 2.840 N/A ARG 170.A N GLU 90.A O no hydrogen 2.884 N/A ARG 170.A NH1 GLN 50.A O no hydrogen 2.639 N/A ARG 170.A NH2 GLN 50.A O no hydrogen 2.567 N/A LEU 171.A N ASP 24.A OD1 no hydrogen 3.234 N/A GLY 173.A N VAL 23.A O no hydrogen 2.707 N/A ARG 174.A N HIS 85.A O no hydrogen 2.664 N/A VAL 176.A N ALA 83.A O no hydrogen 2.794 N/A ILE 180.A N GLY 316.A O no hydrogen 2.966 N/A LEU 182.A N VAL 314.A O no hydrogen 2.914 N/A ALA 183.A N ASP 181.A OD1 no hydrogen 3.100 N/A TYR 184.A N ASP 181.A O no hydrogen 3.166 N/A VAL 185.A N LEU 206.A O no hydrogen 2.993 N/A ASN 187.A N TYR 184.A O no hydrogen 2.867 N/A ASN 187.A ND2 ASP 181.A O no hydrogen 2.844 N/A GLY 188.A N VAL 185.A O no hydrogen 2.985 N/A ALA 189.A N TYR 184.A O no hydrogen 3.306 N/A VAL 190.A N GLN 235.A O no hydrogen 3.275 N/A LEU 192.A N VAL 233.A O no hydrogen 2.844 N/A SER 195.A N TRP 231.A O no hydrogen 3.065 N/A SER 195.A OG ASP 230.A OD1 no hydrogen 2.697 N/A SER 195.A OG TRP 231.A O no hydrogen 3.451 N/A HIS 198.A N GLU 219.A O no hydrogen 2.804 N/A PHE 199.A N GLU 219.A O no hydrogen 3.437 N/A SER 201.A N ASN 204.A OD1 no hydrogen 3.206 N/A SER 201.A OG ASP 203.A OD1 no hydrogen 2.753 N/A VAL 202.A N GLN 197.A OE1 no hydrogen 3.295 N/A ASN 204.A N SER 201.A O no hydrogen 2.920 N/A LEU 205.A N VAL 202.A O no hydrogen 3.193 N/A LEU 207.A N ASN 204.A O no hydrogen 3.366 N/A ARG 210.A NE ASP 249.A OD2 no hydrogen 2.605 N/A ARG 210.A NH2 ASP 249.A OD1 no hydrogen 2.696 N/A ARG 210.A NH2 ASP 249.A OD2 no hydrogen 3.234 N/A ASP 213.A N ASP 216.A OD1 no hydrogen 3.153 N/A SER 215.A N ASP 213.A OD1 no hydrogen 2.883 N/A SER 215.A OG ASP 213.A OD1 no hydrogen 2.376 N/A SER 215.A OG ASP 216.A OD1 no hydrogen 3.498 N/A GLY 217.A N MET 214.A O no hydrogen 3.373 N/A TRP 218.A N VAL 309.A O no hydrogen 2.900 N/A TRP 218.A NE1 ASP 196.A O no hydrogen 2.994 N/A GLU 219.A N PHE 199.A O no hydrogen 3.158 N/A THR 220.A N GLY 307.A O no hydrogen 3.057 N/A THR 220.A OG1 ASP 230.A OD2 no hydrogen 3.040 N/A THR 220.A OG1 GLY 307.A O no hydrogen 3.349 N/A LYS 221.A NZ HIS 198.A NE2 no hydrogen 3.196 N/A SER 223.A N ASP 306.A OD1 no hydrogen 2.977 N/A SER 223.A OG PRO 305.A O no hydrogen 3.566 N/A SER 223.A OG ASP 306.A OD1 no hydrogen 2.446 N/A ARG 224.A N GLN 225.A OE1 no hydrogen 2.988 N/A GLN 225.A N GLN 225.A OE1 no hydrogen 2.616 N/A HIS 228.A N GLN 225.A O no hydrogen 3.241 N/A ASP 230.A N ILE 303.A O no hydrogen 2.845 N/A TRP 231.A N SER 195.A OG no hydrogen 2.905 N/A ALA 232.A N LEU 301.A O no hydrogen 2.891 N/A VAL 233.A N LYS 193.A O no hydrogen 3.006 N/A ILE 234.A N VAL 299.A O no hydrogen 2.713 N/A GLN 235.A N VAL 190.A O no hydrogen 2.962 N/A LEU 236.A N SER 297.A O no hydrogen 2.901 N/A GLY 237.A N LEU 182.A O no hydrogen 3.046 N/A SER 240.A N VAL 296.A O no hydrogen 2.882 N/A SER 240.A OG ILE 294.A O no hydrogen 2.746 N/A SER 241.A N TYR 317.A O no hydrogen 3.163 N/A ILE 243.A N LYS 292.A O no hydrogen 2.955 N/A GLU 244.A N TRP 315.A O no hydrogen 2.677 N/A LYS 245.A N TRP 315.A O no hydrogen 3.264 N/A ILE 246.A N TYR 288.A O no hydrogen 2.821 N/A ILE 247.A N ARG 313.A O no hydrogen 2.783 N/A VAL 248.A N HIS 286.A O no hydrogen 3.025 N/A ASP 249.A N ARG 311.A O no hydrogen 2.751 N/A THR 250.A N LYS 284.A O no hydrogen 2.872 N/A THR 250.A OG1 GLY 281.A O no hydrogen 2.901 N/A THR 250.A OG1 LYS 284.A O no hydrogen 3.364 N/A ALA 251.A N ASP 249.A OD1 no hydrogen 2.843 N/A HIS 252.A N ASP 283.A OD2 no hydrogen 3.007 N/A PHE 253.A N THR 250.A O no hydrogen 2.850 N/A GLN 259.A N ILE 304.A O no hydrogen 2.863 N/A PHE 260.A N ILE 304.A O no hydrogen 3.045 N/A ILE 261.A N SER 278.A O no hydrogen 3.179 N/A THR 262.A N THR 302.A O no hydrogen 3.318 N/A THR 262.A OG1 GLU 273.A OE1 no hydrogen 3.395 N/A VAL 263.A N VAL 275.A O no hydrogen 2.812 N/A GLU 264.A N LYS 300.A O no hydrogen 3.005 N/A GLY 265.A N VAL 272.A O no hydrogen 2.623 N/A CYS 266.A N HIS 298.A O no hydrogen 3.074 N/A CYS 266.A SG LEU 267.A O no hydrogen 3.883 N/A LYS 268.A N SER 297.A OG no hydrogen 3.003 N/A VAL 272.A N GLY 265.A O no hydrogen 2.745 N/A LEU 274.A N VAL 263.A O no hydrogen 2.725 N/A VAL 275.A N VAL 263.A O no hydrogen 3.180 N/A SER 278.A N ILE 261.A O no hydrogen 2.997 N/A SER 278.A OG GLY 276.A O no hydrogen 2.635 N/A THR 280.A N GLN 259.A O no hydrogen 3.277 N/A THR 280.A OG1 PRO 258.A O no hydrogen 2.611 N/A GLY 281.A N HIS 286.A NE2 no hydrogen 2.586 N/A ASP 283.A N PHE 253.A O no hydrogen 3.173 N/A LYS 284.A N THR 250.A OG1 no hydrogen 3.129 N/A HIS 286.A N VAL 248.A O no hydrogen 3.002 N/A HIS 286.A ND1 LYS 284.A O no hydrogen 3.137 N/A TYR 288.A N ILE 246.A O no hydrogen 2.848 N/A ILE 290.A N GLU 244.A O no hydrogen 2.596 N/A ARG 291.A N GLU 244.A O no hydrogen 2.941 N/A LYS 292.A N ILE 243.A O no hydrogen 3.324 N/A ILE 294.A N SER 241.A O no hydrogen 2.796 N/A VAL 296.A N SER 240.A OG no hydrogen 3.324 N/A SER 297.A N CYS 266.A O no hydrogen 2.827 N/A SER 297.A OG CYS 266.A O no hydrogen 3.264 N/A HIS 298.A N CYS 266.A O no hydrogen 3.086 N/A VAL 299.A N ILE 234.A O no hydrogen 2.773 N/A LYS 300.A N GLU 264.A O no hydrogen 3.046 N/A LEU 301.A N ALA 232.A O no hydrogen 2.931 N/A THR 302.A N THR 262.A O no hydrogen 3.068 N/A ILE 303.A N ASP 230.A O no hydrogen 2.601 N/A ILE 304.A N PHE 260.A O no hydrogen 2.954 N/A GLY 307.A N THR 220.A OG1 no hydrogen 3.191 N/A VAL 309.A N TRP 218.A O no hydrogen 2.885 N/A LYS 310.A N ASP 249.A O no hydrogen 2.714 N/A LYS 310.A NZ ARG 210.A O no hydrogen 2.726 N/A LYS 310.A NZ ASP 213.A O no hydrogen 2.930 N/A ARG 311.A N ASP 249.A O no hydrogen 3.093 N/A ARG 311.A NE LEU 207.A O no hydrogen 3.143 N/A ARG 311.A NE GLY 209.A O no hydrogen 2.887 N/A ARG 311.A NH1 ASP 216.A O no hydrogen 3.108 N/A ARG 311.A NH1 LYS 310.A O no hydrogen 3.162 N/A ARG 311.A NH2 PRO 208.A O no hydrogen 3.203 N/A ARG 311.A NH2 GLY 209.A O no hydrogen 3.121 N/A ILE 312.A N LEU 205.A O no hydrogen 3.331 N/A ARG 313.A N ILE 247.A O no hydrogen 2.674 N/A ARG 313.A NH1 LEU 207.A O no hydrogen 2.713 N/A ARG 313.A NH2 LEU 207.A O no hydrogen 2.842 N/A VAL 314.A N ASP 181.A OD1 no hydrogen 3.009 N/A TRP 315.A N LYS 245.A O no hydrogen 2.802 N/A GLY 316.A N ILE 180.A O no hydrogen 3.306 N/A TYR 317.A N PHE 242.A O no hydrogen 2.756 N/A