Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG ASP 251.A OD2 no hydrogen 2.632 N/A ARG 6.A NE HIS 2.A O no hydrogen 3.306 N/A ARG 6.A NH2 GLU 34.A OE2 no hydrogen 2.873 N/A ILE 8.A N VAL 250.A O no hydrogen 2.871 N/A ILE 10.A N ASP 248.A O no hydrogen 2.979 N/A ASN 12.A N LEU 9.A O no hydrogen 2.693 N/A PHE 13.A N ILE 10.A O no hydrogen 2.742 N/A HIS 16.A N ASN 12.A O no hydrogen 2.860 N/A TYR 17.A N PHE 13.A O no hydrogen 2.812 N/A ARG 18.A N ALA 14.A O no hydrogen 3.337 N/A ARG 18.A NH1 GLU 15.A OE2 no hydrogen 2.727 N/A LEU 19.A N GLU 15.A O no hydrogen 2.748 N/A MET 20.A N HIS 16.A O no hydrogen 2.769 N/A SER 21.A N TYR 17.A O no hydrogen 2.738 N/A SER 21.A OG TYR 17.A O no hydrogen 2.964 N/A SER 21.A OG ARG 18.A O no hydrogen 2.956 N/A ALA 22.A N ARG 18.A O no hydrogen 2.949 N/A ASP 25.A N SER 21.A O no hydrogen 2.838 N/A PHE 26.A N ALA 22.A O no hydrogen 3.269 N/A PHE 28.A N MET 20.A O no hydrogen 3.241 N/A SER 29.A N ASP 25.A O no hydrogen 2.739 N/A SER 29.A OG GLU 270.A OE1 no hydrogen 2.722 N/A SER 29.A OG GLU 270.A OE2 no hydrogen 2.905 N/A GLU 30.A N PHE 26.A O no hydrogen 3.185 N/A GLU 30.A N ARG 27.A O no hydrogen 3.111 N/A GLU 31.A N ARG 27.A O no hydrogen 2.763 N/A PHE 32.A N PHE 28.A O no hydrogen 3.013 N/A GLU 34.A N GLU 31.A O no hydrogen 3.269 N/A LEU 35.A N PHE 32.A O no hydrogen 2.883 N/A LYS 36.A NZ GLU 33.A OE1 no hydrogen 2.832 N/A VAL 38.A N LEU 35.A O no hydrogen 2.952 N/A ARG 40.A N HIS 37.A O no hydrogen 3.381 N/A GLN 42.A N GLY 39.A O no hydrogen 3.150 N/A GLN 42.A NE2 GLY 39.A O no hydrogen 3.001 N/A GLN 42.A NE2 LYS 261.A O no hydrogen 2.988 N/A CYS 44.A SG LEU 62.A O no hydrogen 3.593 N/A CYS 44.A SG PRO 63.A O no hydrogen 3.353 N/A THR 45.A N ASP 65.A OD2 no hydrogen 2.776 N/A PHE 46.A N ASP 65.A OD1 no hydrogen 3.292 N/A ASP 48.A N THR 45.A O no hydrogen 3.246 N/A LEU 49.A N PHE 46.A O no hydrogen 2.784 N/A CYS 51.A SG ASN 52.A OD1 no hydrogen 3.124 N/A CYS 51.A SG GLU 78.A O no hydrogen 3.599 N/A ASN 52.A N LEU 49.A O no hydrogen 3.118 N/A ASN 52.A ND2 PHE 46.A O no hydrogen 3.288 N/A ARG 53.A N PRO 50.A O no hydrogen 3.042 N/A LYS 55.A N ASN 52.A O no hydrogen 3.126 N/A LYS 55.A NZ CYS 51.A O no hydrogen 3.473 N/A LYS 55.A NZ ASN 52.A OD1 no hydrogen 2.894 N/A LYS 55.A NZ GLY 79.A O no hydrogen 3.086 N/A ASN 56.A N ARG 53.A O no hydrogen 3.410 N/A ASN 56.A ND2 ALA 47.A O no hydrogen 2.981 N/A ARG 57.A N GLN 101.A OE1 no hydrogen 2.846 N/A ARG 57.A NE GLY 102.A O no hydrogen 3.067 N/A ARG 57.A NH1 GLU 135.A OE2 no hydrogen 3.435 N/A ARG 57.A NH2 GLY 102.A O no hydrogen 3.124 N/A ARG 57.A NH2 PRO 103.A O no hydrogen 2.804 N/A ILE 61.A N PHE 58.A O no hydrogen 3.446 N/A ASP 65.A N PRO 43.A O no hydrogen 3.013 N/A SER 67.A N TYR 64.A O no hydrogen 3.363 N/A SER 67.A OG GLU 262.A O no hydrogen 3.119 N/A ARG 68.A N TYR 64.A O no hydrogen 3.067 N/A ARG 68.A NH1 ASP 81.A OD1 no hydrogen 2.727 N/A ARG 68.A NH2 ASP 81.A OD2 no hydrogen 3.193 N/A PHE 69.A N ALA 85.A O no hydrogen 2.638 N/A LEU 71.A N ASP 81.A O no hydrogen 2.728 N/A GLN 72.A N GLU 117.A OE1 no hydrogen 2.657 N/A GLN 72.A NE2 GLU 117.A OE1 no hydrogen 3.067 N/A VAL 74.A N SER 80.A OG no hydrogen 2.720 N/A SER 80.A OG VAL 74.A O no hydrogen 3.042 N/A SER 80.A OG ASP 77.A O no hydrogen 3.318 N/A TYR 82.A N GLY 79.A O no hydrogen 3.486 N/A TYR 82.A OH ASN 56.A OD1 no hydrogen 2.517 N/A ASN 84.A ND2 ASN 56.A OD1 no hydrogen 3.478 N/A ASN 84.A ND2 ILE 61.A O no hydrogen 2.928 N/A ASN 86.A N VAL 99.A O no hydrogen 2.948 N/A ASN 86.A ND2 TYR 64.A O no hydrogen 3.372 N/A TYR 87.A N SER 67.A O no hydrogen 3.144 N/A VAL 88.A N PHE 97.A O no hydrogen 2.933 N/A GLY 90.A N SER 93.A O no hydrogen 2.943 N/A ASN 92.A N GLU 96.A OE1 no hydrogen 2.593 N/A ASN 92.A ND2 GLN 242.A OE1 no hydrogen 3.408 N/A ARG 95.A N SER 93.A OG no hydrogen 3.076 N/A PHE 97.A N VAL 88.A O no hydrogen 3.086 N/A ILE 98.A N ILE 220.A O no hydrogen 2.756 N/A VAL 99.A N ASN 86.A O no hydrogen 3.020 N/A THR 100.A N VAL 222.A O no hydrogen 3.063 N/A THR 100.A OG1 ASN 84.A O no hydrogen 2.644 N/A THR 100.A OG1 GLN 101.A O no hydrogen 3.339 N/A GLN 101.A N ASN 84.A O no hydrogen 3.356 N/A GLN 101.A NE2 LYS 55.A O no hydrogen 2.726 N/A GLY 102.A N SER 225.A O no hydrogen 3.248 N/A LEU 104.A N THR 107.A OG1 no hydrogen 2.789 N/A THR 107.A N LEU 104.A O no hydrogen 2.743 N/A THR 107.A OG1 LEU 104.A O no hydrogen 3.091 N/A ARG 108.A NH1 ASP 138.A OD2 no hydrogen 3.379 N/A ARG 108.A NH1 GLN 139.A O no hydrogen 3.507 N/A PHE 111.A N THR 107.A O no hydrogen 2.741 N/A TRP 112.A N ARG 108.A O no hydrogen 2.881 N/A TRP 112.A NE1 TYR 140.A O no hydrogen 2.665 N/A ARG 113.A N ASP 109.A O no hydrogen 3.015 N/A ARG 113.A NE GLU 117.A OE2 no hydrogen 3.292 N/A MET 114.A N ASP 110.A O no hydrogen 2.953 N/A CYS 115.A N PHE 111.A O no hydrogen 3.309 N/A CYS 115.A SG PHE 111.A O no hydrogen 3.405 N/A TRP 116.A N TRP 112.A O no hydrogen 2.974 N/A GLU 117.A N ARG 113.A O no hydrogen 2.699 N/A SER 118.A N MET 114.A O no hydrogen 2.600 N/A SER 118.A OG MET 114.A O no hydrogen 2.739 N/A SER 118.A OG CYS 115.A O no hydrogen 3.049 N/A ASN 119.A N TRP 116.A O no hydrogen 3.171 N/A SER 120.A N CYS 115.A O no hydrogen 3.069 N/A SER 120.A N SER 118.A OG no hydrogen 3.201 N/A SER 120.A OG PRO 219.A O no hydrogen 2.649 N/A ARG 121.A NH1 ASN 119.A O no hydrogen 3.412 N/A ILE 123.A N ARG 183.A O no hydrogen 2.915 N/A VAL 124.A N VAL 221.A O no hydrogen 2.719 N/A MET 125.A N PHE 185.A O no hydrogen 2.653 N/A LEU 126.A N HIS 223.A O no hydrogen 2.956 N/A THR 127.A OG1 ARG 128.A O no hydrogen 2.487 N/A THR 127.A OG1 GLU 131.A OE2 no hydrogen 3.318 N/A ARG 128.A N GLU 131.A OE2 no hydrogen 3.236 N/A ARG 128.A NH1 ASP 192.A OD1 no hydrogen 3.298 N/A ARG 128.A NH2 TRP 190.A O no hydrogen 2.877 N/A ARG 128.A NH2 ASP 192.A OD1 no hydrogen 3.087 N/A CYS 129.A SG CYS 137.A O no hydrogen 3.439 N/A GLU 131.A N ARG 134.A O no hydrogen 3.195 N/A ARG 134.A N GLU 131.A O no hydrogen 3.201 N/A LYS 136.A N CYS 129.A O no hydrogen 2.673 N/A CYS 137.A N CYS 129.A O no hydrogen 3.450 N/A CYS 137.A SG ASP 138.A O no hydrogen 3.801 N/A ASP 138.A N PRO 103.A O no hydrogen 2.842 N/A GLN 139.A NE2 TRP 141.A O no hydrogen 3.193 N/A TYR 140.A OH HIS 184.A NE2 no hydrogen 2.977 N/A TYR 140.A OH HIS 223.A NE2 no hydrogen 2.829 N/A THR 145.A OG1 ILE 157.A O no hydrogen 3.147 N/A VAL 146.A N ASP 144.A OD1 no hydrogen 2.841 N/A VAL 148.A N VAL 155.A O no hydrogen 3.002 N/A TYR 150.A N ILE 153.A O no hydrogen 2.729 N/A ILE 153.A N TYR 150.A O no hydrogen 3.183 N/A LYS 154.A N CYS 174.A O no hydrogen 3.001 N/A VAL 155.A N VAL 148.A O no hydrogen 2.875 N/A GLN 156.A N MET 172.A O no hydrogen 3.081 N/A GLN 156.A NE2 THR 145.A O no hydrogen 2.870 N/A LEU 158.A N GLU 170.A O no hydrogen 2.712 N/A ASN 159.A ND2 LEU 158.A O no hydrogen 3.203 N/A SER 161.A N MET 168.A O no hydrogen 2.816 N/A TYR 163.A N TRP 166.A O no hydrogen 2.950 N/A VAL 167.A N HIS 186.A O no hydrogen 2.933 N/A MET 168.A N SER 161.A O no hydrogen 2.858 N/A THR 169.A N HIS 184.A O no hydrogen 2.962 N/A GLU 170.A N ASN 159.A O no hydrogen 2.870 N/A PHE 171.A N LEU 182.A O no hydrogen 2.917 N/A MET 172.A N GLN 156.A O no hydrogen 2.766 N/A LEU 173.A N ARG 180.A O no hydrogen 2.654 N/A CYS 174.A N LYS 154.A O no hydrogen 3.212 N/A ARG 175.A N GLU 178.A O no hydrogen 2.876 N/A ARG 180.A N LEU 173.A O no hydrogen 2.830 N/A ARG 180.A NH1 TRP 116.A O no hydrogen 3.429 N/A ARG 180.A NH2 TRP 116.A O no hydrogen 3.086 N/A LEU 182.A N PHE 171.A O no hydrogen 2.890 N/A ARG 183.A N ARG 121.A O no hydrogen 2.926 N/A ARG 183.A NH1 GLU 170.A OE1 no hydrogen 2.802 N/A ARG 183.A NH2 GLU 170.A OE1 no hydrogen 3.031 N/A HIS 184.A N THR 169.A O no hydrogen 2.726 N/A HIS 184.A NE2 TYR 140.A OH no hydrogen 2.977 N/A PHE 185.A N ILE 123.A O no hydrogen 2.694 N/A HIS 186.A N VAL 167.A O no hydrogen 3.245 N/A HIS 186.A NE2 THR 127.A O no hydrogen 2.751 N/A PHE 187.A N MET 125.A O no hydrogen 2.874 N/A THR 188.A N ASP 165.A O no hydrogen 2.664 N/A THR 188.A OG1 ASP 165.A O no hydrogen 3.095 N/A THR 189.A OG1 ASP 165.A OD1 no hydrogen 3.029 N/A GLN 200.A N GLN 200.A OE1 no hydrogen 2.862 N/A THR 201.A N PRO 198.A O no hydrogen 3.455 N/A THR 201.A OG1 PRO 198.A O no hydrogen 2.966 N/A LEU 202.A N PRO 199.A O no hydrogen 2.683 N/A VAL 203.A N PRO 199.A O no hydrogen 3.389 N/A ARG 204.A N GLN 200.A O no hydrogen 2.785 N/A PHE 205.A N THR 201.A O no hydrogen 3.090 N/A VAL 206.A N LEU 202.A O no hydrogen 2.943 N/A ARG 207.A N VAL 203.A O no hydrogen 2.897 N/A ALA 208.A N ARG 204.A O no hydrogen 3.048 N/A PHE 209.A N PHE 205.A O no hydrogen 2.829 N/A ARG 210.A N VAL 206.A O no hydrogen 2.814 N/A ARG 210.A NE ASP 238.A OD1 no hydrogen 2.856 N/A ARG 210.A NH2 ASP 238.A OD1 no hydrogen 3.039 N/A ASP 211.A N ARG 207.A O no hydrogen 2.871 N/A ARG 212.A N ALA 208.A O no hydrogen 3.067 N/A ILE 213.A N PHE 209.A O no hydrogen 2.737 N/A ILE 213.A N ARG 210.A O no hydrogen 3.066 N/A GLY 214.A N ARG 210.A O no hydrogen 2.903 N/A GLU 216.A N GLY 214.A O no hydrogen 2.897 N/A ARG 218.A N GLU 216.A OE2 no hydrogen 3.389 N/A ARG 218.A NE GLU 216.A OE2 no hydrogen 3.121 N/A ARG 218.A NH2 GLU 216.A OE1 no hydrogen 2.459 N/A ARG 218.A NH2 GLU 216.A OE2 no hydrogen 3.338 N/A ILE 220.A N GLU 96.A O no hydrogen 2.984 N/A VAL 221.A N ALA 122.A O no hydrogen 2.832 N/A VAL 222.A N ILE 98.A O no hydrogen 2.803 N/A HIS 223.A N VAL 124.A O no hydrogen 2.987 N/A HIS 223.A ND1 CYS 224.A O no hydrogen 3.272 N/A HIS 223.A NE2 TYR 140.A OH no hydrogen 2.829 N/A CYS 224.A SG SER 231.A OG no hydrogen 3.074 N/A ARG 230.A NH1 GLU 131.A OE1 no hydrogen 2.860 N/A ARG 230.A NH2 LEU 126.A O no hydrogen 3.228 N/A GLY 232.A N VAL 228.A O no hydrogen 2.843 N/A THR 233.A N GLY 229.A O no hydrogen 3.047 N/A THR 233.A OG1 GLY 229.A O no hydrogen 2.843 N/A PHE 234.A N ARG 230.A O no hydrogen 2.845 N/A ILE 235.A N SER 231.A O no hydrogen 3.235 N/A THR 236.A N GLY 232.A O no hydrogen 3.331 N/A THR 236.A OG1 GLY 232.A O no hydrogen 2.782 N/A LEU 237.A N THR 233.A O no hydrogen 3.111 N/A ASP 238.A N PHE 234.A O no hydrogen 2.845 N/A ARG 239.A N ILE 235.A O no hydrogen 3.009 N/A ILE 240.A N THR 236.A O no hydrogen 3.007 N/A LEU 241.A N LEU 237.A O no hydrogen 3.207 N/A GLN 242.A N ASP 238.A O no hydrogen 3.385 N/A GLN 242.A NE2 ASP 238.A O no hydrogen 3.374 N/A GLN 243.A N ARG 239.A O no hydrogen 2.956 N/A GLN 243.A NE2 SER 247.A OG no hydrogen 2.938 N/A ILE 244.A N ILE 240.A O no hydrogen 3.001 N/A THR 246.A N GLN 243.A O no hydrogen 2.880 N/A THR 246.A OG1 GLN 243.A O no hydrogen 3.226 N/A SER 247.A N GLN 243.A O no hydrogen 3.200 N/A VAL 250.A N ILE 8.A O no hydrogen 2.950 N/A GLY 254.A N ASP 251.A OD1 no hydrogen 3.396 N/A ILE 255.A N ASP 251.A O no hydrogen 2.710 N/A VAL 256.A N ILE 252.A O no hydrogen 3.034 N/A TYR 257.A N PHE 253.A O no hydrogen 2.945 N/A ALA 258.A N GLY 254.A O no hydrogen 3.117 N/A MET 259.A N ILE 255.A O no hydrogen 3.102 N/A ARG 260.A N VAL 256.A O no hydrogen 2.758 N/A ARG 260.A NH1 LEU 35.A O no hydrogen 2.823 N/A ARG 260.A NH2 VAL 267.A O no hydrogen 2.646 N/A LYS 261.A N TYR 257.A O no hydrogen 3.379 N/A GLU 262.A N MET 259.A O no hydrogen 2.900 N/A ARG 263.A N MET 259.A O no hydrogen 2.934 N/A ARG 263.A NE GLY 227.A O no hydrogen 3.052 N/A ARG 263.A NH1 ASN 84.A OD1 no hydrogen 2.664 N/A ARG 263.A NH1 ASN 86.A OD1 no hydrogen 3.558 N/A ARG 263.A NH2 ASN 84.A OD1 no hydrogen 3.220 N/A THR 269.A N GLN 272.A OE1 no hydrogen 2.888 N/A TYR 273.A N THR 269.A O no hydrogen 2.993 N/A TYR 273.A OH GLU 31.A OE2 no hydrogen 2.965 N/A ILE 274.A N GLU 270.A O no hydrogen 2.864 N/A CYS 275.A N GLN 271.A O no hydrogen 2.784 N/A ILE 276.A N GLN 272.A O no hydrogen 2.995 N/A HIS 277.A ND1 TYR 273.A O no hydrogen 3.052 N/A GLN 278.A N ILE 274.A O no hydrogen 3.037 N/A CYS 279.A N CYS 275.A O no hydrogen 2.969 N/A CYS 279.A SG PRO 199.A O no hydrogen 3.847 N/A CYS 279.A SG CYS 275.A O no hydrogen 3.407 N/A LEU 280.A N ILE 276.A O no hydrogen 3.227 N/A LEU 281.A N HIS 277.A O no hydrogen 2.862 N/A ALA 282.A N GLN 278.A O no hydrogen 2.696 N/A VAL 283.A N CYS 279.A O no hydrogen 2.962 N/A LEU 284.A N LEU 280.A O no hydrogen 2.822 N/A GLU 285.A N LEU 281.A O no hydrogen 3.164 N/A GLU 285.A N ALA 282.A O no hydrogen 3.207 N/A GLY 286.A N VAL 283.A O no hydrogen 2.899 N/A LYS 287.A N ALA 282.A O no hydrogen 2.744 N/A