Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4p2a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N ALA 47.A O no hydrogen 2.582 N/A ASP 7.A N ASN 45.A O no hydrogen 2.949 N/A ALA 9.A N LYS 43.A O no hydrogen 2.913 N/A ASN 11.A N SER 41.A O no hydrogen 3.015 N/A ASP 12.A N ASP 12.A OD1 no hydrogen 2.354 N/A ARG 16.A N ASP 12.A O no hydrogen 3.427 N/A ARG 16.A NE ASP 12.A OD2 no hydrogen 2.438 N/A ARG 16.A NH1 LEU 33.A O no hydrogen 2.597 N/A ARG 16.A NH1 GLU 38.A OE1 no hydrogen 3.205 N/A ARG 16.A NH2 ASP 12.A OD2 no hydrogen 2.814 N/A ALA 19.A N HIS 31.A O no hydrogen 2.710 N/A MET 21.A N GLU 29.A O no hydrogen 3.063 N/A LYS 22.A NZ ASP 243.A OD2 no hydrogen 3.485 N/A THR 23.A N LYS 27.A O no hydrogen 3.089 N/A THR 23.A OG1 GLU 24.A OE2 no hydrogen 3.237 N/A THR 23.A OG1 ASP 25.A OD2 no hydrogen 2.252 N/A ASP 25.A N THR 23.A OG1 no hydrogen 2.919 N/A GLY 26.A N THR 23.A O no hydrogen 2.997 N/A LYS 27.A N ASP 25.A OD1 no hydrogen 2.833 N/A LYS 27.A N ASP 25.A OD2 no hydrogen 2.807 N/A GLU 29.A N MET 21.A O no hydrogen 3.191 N/A HIS 31.A N ALA 19.A O no hydrogen 2.835 N/A TYR 32.A OH GLY 13.A O no hydrogen 2.542 N/A LEU 33.A N LYS 17.A O no hydrogen 3.056 N/A PHE 34.A N ILE 141.A O no hydrogen 2.667 N/A TYR 35.A N GLU 38.A OE1 no hydrogen 2.870 N/A GLY 37.A N VAL 106.A O no hydrogen 2.921 N/A GLU 38.A N TYR 35.A O no hydrogen 3.265 N/A SER 39.A OG MET 104.A O no hydrogen 2.101 N/A VAL 40.A N PHE 103.A O no hydrogen 2.878 N/A GLY 42.A N PHE 101.A O no hydrogen 2.980 N/A LYS 43.A N ALA 9.A O no hydrogen 2.820 N/A VAL 44.A N TYR 99.A O no hydrogen 2.648 N/A ASN 45.A N ASP 7.A O no hydrogen 2.810 N/A ASN 45.A ND2 ASP 7.A OD2 no hydrogen 2.586 N/A LEU 46.A N ARG 97.A O no hydrogen 2.913 N/A ALA 47.A N GLU 5.A O no hydrogen 3.376 N/A PHE 48.A N SER 96.A OG no hydrogen 2.892 N/A LYS 49.A N PRO 2.A O no hydrogen 3.130 N/A GLY 52.A N THR 94.A O no hydrogen 2.744 N/A LEU 55.A N LEU 93.A O no hydrogen 2.921 N/A HIS 57.A N GLY 91.A O no hydrogen 3.069 N/A GLN 58.A N VAL 129.A O no hydrogen 2.387 N/A GLY 59.A N VAL 129.A O no hydrogen 3.358 N/A ILE 60.A N ALA 88.A O no hydrogen 3.029 N/A ARG 61.A N THR 127.A O no hydrogen 2.801 N/A ILE 62.A N LYS 85.A O no hydrogen 2.968 N/A GLU 63.A N LYS 125.A O no hydrogen 2.889 N/A PHE 64.A N LEU 83.A O no hydrogen 2.998 N/A VAL 65.A N PHE 123.A O no hydrogen 2.911 N/A GLY 66.A N VAL 81.A O no hydrogen 3.008 N/A GLN 67.A N ARG 121.A O no hydrogen 2.660 N/A ILE 68.A N HIS 78.A O no hydrogen 3.117 N/A GLU 69.A N ARG 119.A O no hydrogen 2.575 N/A ASN 72.A ND2 ALA 116.A O no hydrogen 3.056 N/A SER 75.A OG SER 75.A O no hydrogen 2.329 N/A HIS 78.A N ILE 68.A O no hydrogen 3.303 N/A VAL 81.A N GLY 66.A O no hydrogen 3.314 N/A ASN 82.A ND2 GLU 63.A OE1 no hydrogen 3.516 N/A ASN 82.A ND2 GLU 79.A OE1 no hydrogen 3.047 N/A LEU 83.A N PHE 64.A O no hydrogen 3.000 N/A LYS 85.A N ILE 62.A O no hydrogen 2.892 N/A LYS 85.A NZ GLU 102.A O no hydrogen 2.605 N/A LEU 87.A N ILE 60.A O no hydrogen 2.844 N/A ALA 88.A N ILE 60.A O no hydrogen 3.263 N/A GLY 91.A N HIS 57.A O no hydrogen 3.154 N/A LEU 93.A N LEU 55.A O no hydrogen 3.069 N/A ARG 97.A N LEU 46.A O no hydrogen 3.098 N/A SER 98.A OG ASN 45.A OD1 no hydrogen 2.233 N/A TYR 99.A N VAL 44.A O no hydrogen 2.813 N/A PHE 101.A N GLY 42.A O no hydrogen 3.014 N/A PHE 103.A N VAL 40.A O no hydrogen 2.741 N/A LYS 108.A N ASP 36.A OD1 no hydrogen 2.985 N/A LYS 108.A NZ TYR 35.A O no hydrogen 3.105 N/A LYS 108.A NZ GLU 38.A O no hydrogen 2.612 N/A LYS 108.A NZ VAL 106.A O no hydrogen 2.680 N/A TYR 110.A N TYR 122.A OH no hydrogen 3.143 N/A TYR 110.A OH ASN 252.A OD1 no hydrogen 3.007 N/A SER 112.A N VAL 142.A O no hydrogen 3.098 N/A SER 112.A OG VAL 142.A O no hydrogen 3.331 N/A TYR 113.A N LEU 120.A O no hydrogen 3.186 N/A TYR 113.A OH GLU 206.A OE1 no hydrogen 2.983 N/A GLY 115.A N VAL 118.A O no hydrogen 2.763 N/A ASN 117.A N GLU 206.A OE2 no hydrogen 3.157 N/A ARG 119.A N GLU 69.A O no hydrogen 2.702 N/A ARG 119.A NE GLU 69.A OE1 no hydrogen 2.752 N/A ARG 119.A NH2 GLU 69.A OE1 no hydrogen 2.270 N/A LEU 120.A N TYR 113.A O no hydrogen 2.827 N/A ARG 121.A N GLN 67.A O no hydrogen 2.738 N/A ARG 121.A NH1 GLU 137.A OE1 no hydrogen 3.080 N/A ARG 121.A NH1 ASP 139.A OD1 no hydrogen 3.134 N/A ARG 121.A NH2 GLU 137.A OE1 no hydrogen 3.515 N/A TYR 122.A OH TYR 110.A O no hydrogen 2.709 N/A PHE 123.A N VAL 65.A O no hydrogen 2.896 N/A LEU 124.A N TYR 138.A O no hydrogen 2.746 N/A LYS 125.A N GLU 63.A O no hydrogen 2.896 N/A VAL 126.A N LYS 136.A O no hydrogen 2.687 N/A THR 127.A N ARG 61.A O no hydrogen 2.908 N/A ILE 128.A N LEU 134.A O no hydrogen 2.637 N/A VAL 129.A N GLY 59.A O no hydrogen 2.633 N/A ARG 130.A NH2 THR 132.A O no hydrogen 2.948 N/A LEU 134.A N ILE 128.A O no hydrogen 3.044 N/A LYS 136.A N VAL 126.A O no hydrogen 2.712 N/A LYS 136.A NZ GLU 5.A OE1 no hydrogen 3.173 N/A LYS 136.A NZ ILE 6.A O no hydrogen 2.910 N/A TYR 138.A N LEU 124.A O no hydrogen 2.650 N/A LEU 140.A N TYR 122.A O no hydrogen 3.005 N/A ILE 141.A N TYR 32.A O no hydrogen 3.039 N/A VAL 142.A N SER 112.A OG no hydrogen 2.769 N/A HIS 143.A N PHE 34.A O no hydrogen 3.273 N/A GLN 144.A N GLU 111.A OE1 no hydrogen 2.873 N/A ALA 146.A N ARG 283.A O no hydrogen 2.830 N/A SER 154.A N ASN 172.A O no hydrogen 2.631 N/A SER 154.A OG SER 154.A O no hydrogen 2.470 N/A MET 157.A N PHE 169.A O no hydrogen 2.930 N/A VAL 159.A N ILE 167.A O no hydrogen 2.659 N/A ILE 161.A N LEU 165.A O no hydrogen 3.047 N/A HIS 166.A N LEU 190.A O no hydrogen 2.739 N/A ILE 167.A N VAL 159.A O no hydrogen 2.864 N/A GLU 168.A N TYR 187.A O no hydrogen 3.063 N/A PHE 169.A N MET 157.A O no hydrogen 2.669 N/A GLU 170.A N LYS 185.A O no hydrogen 2.830 N/A TYR 171.A N ILE 155.A O no hydrogen 2.949 N/A TYR 171.A OH GLN 277.A OE1 no hydrogen 2.267 N/A ASN 172.A N VAL 183.A O no hydrogen 3.110 N/A LYS 173.A N TYR 176.A OH no hydrogen 2.897 N/A LYS 173.A NZ ASP 180.A OD2 no hydrogen 3.391 N/A SER 174.A OG ASN 153.A OD1 no hydrogen 3.550 N/A TYR 176.A N ILE 280.A O no hydrogen 2.827 N/A TYR 176.A OH ASN 172.A OD1 no hydrogen 2.361 N/A TYR 176.A OH LYS 173.A O no hydrogen 3.044 N/A HIS 177.A N ASP 180.A OD2 no hydrogen 3.507 N/A LEU 178.A N TRP 282.A O no hydrogen 2.876 N/A LYS 179.A N HIS 177.A ND1 no hydrogen 2.980 N/A ASP 180.A N HIS 177.A O no hydrogen 2.656 N/A VAL 181.A N ASP 180.A OD1 no hydrogen 2.797 N/A ILE 182.A N LEU 237.A O no hydrogen 2.821 N/A VAL 183.A N ASN 172.A OD1 no hydrogen 3.202 N/A GLY 184.A N ILE 235.A O no hydrogen 2.528 N/A LYS 185.A N GLU 170.A O no hydrogen 2.808 N/A ILE 186.A N ILE 233.A O no hydrogen 2.892 N/A TYR 187.A N GLU 168.A O no hydrogen 2.829 N/A TYR 187.A OH GLU 170.A OE2 no hydrogen 3.217 N/A LEU 190.A N HIS 166.A O no hydrogen 3.111 N/A ARG 192.A N CYS 164.A O no hydrogen 2.588 N/A GLN 196.A NE2 ASP 270.A OD1 no hydrogen 2.480 N/A HIS 197.A N VAL 266.A O no hydrogen 3.039 N/A HIS 197.A ND1 MET 227.A O no hydrogen 2.608 N/A MET 198.A N MET 227.A O no hydrogen 3.149 N/A GLU 199.A N VAL 264.A O no hydrogen 2.612 N/A LEU 200.A N TYR 224.A O no hydrogen 2.922 N/A GLN 201.A N ASN 262.A O no hydrogen 2.864 N/A LEU 202.A N ALA 222.A O no hydrogen 3.150 N/A ILE 203.A N PHE 260.A O no hydrogen 2.910 N/A LYS 204.A N GLU 219.A O no hydrogen 2.904 N/A LYS 204.A NZ GLU 219.A OE1 no hydrogen 3.551 N/A LYS 205.A N ARG 258.A O no hydrogen 2.792 N/A LYS 205.A NZ GLN 276.A OE1 no hydrogen 2.712 N/A GLU 206.A N GLU 217.A O no hydrogen 2.871 N/A ILE 207.A N SER 256.A O no hydrogen 2.868 N/A THR 208.A N THR 215.A O no hydrogen 2.798 N/A THR 208.A OG1 GLU 206.A O no hydrogen 3.547 N/A THR 208.A OG1 GLU 206.A OE2 no hydrogen 2.816 N/A THR 214.A OG1 PRO 212.A O no hydrogen 2.383 N/A GLU 217.A N GLU 206.A O no hydrogen 2.985 N/A GLU 219.A N LYS 204.A O no hydrogen 3.042 N/A ALA 222.A N LEU 202.A O no hydrogen 3.065 N/A TYR 224.A N LEU 200.A O no hydrogen 2.552 N/A ILE 226.A N TYR 224.A O no hydrogen 2.944 N/A MET 227.A N MET 198.A O no hydrogen 3.288 N/A ILE 233.A N ILE 186.A O no hydrogen 3.265 N/A ILE 235.A N GLY 184.A O no hydrogen 2.690 N/A LEU 237.A N ILE 182.A O no hydrogen 2.918 N/A LEU 239.A N ASP 180.A O no hydrogen 3.045 N/A TYR 242.A N LEU 239.A O no hydrogen 3.037 N/A THR 245.A N TYR 259.A OH no hydrogen 2.705 N/A THR 245.A OG1 PRO 246.A O no hydrogen 3.179 N/A THR 245.A OG1 TYR 259.A OH no hydrogen 2.889 N/A THR 247.A N LEU 281.A O no hydrogen 2.858 N/A MET 248.A N VAL 257.A O no hydrogen 3.014 N/A ASP 250.A N SER 256.A OG no hydrogen 2.816 N/A VAL 251.A N PHE 255.A O no hydrogen 2.811 N/A LYS 253.A N ASP 250.A O no hydrogen 3.000 N/A LYS 254.A N VAL 251.A O no hydrogen 2.843 N/A LYS 254.A NZ HIS 78.A ND1 no hydrogen 3.090 N/A PHE 255.A N VAL 251.A O no hydrogen 3.468 N/A SER 256.A N ILE 207.A O no hydrogen 2.967 N/A VAL 257.A N MET 248.A O no hydrogen 2.607 N/A ARG 258.A N LYS 205.A O no hydrogen 2.991 N/A ARG 258.A NH1 GLU 278.A OE2 no hydrogen 3.060 N/A TYR 259.A OH THR 245.A OG1 no hydrogen 2.889 N/A PHE 260.A N ILE 203.A O no hydrogen 2.821 N/A LEU 261.A N GLN 277.A O no hydrogen 2.766 N/A ASN 262.A N GLN 201.A O no hydrogen 2.786 N/A ASN 262.A ND2 GLN 201.A OE1 no hydrogen 3.508 N/A LEU 263.A N LYS 275.A O no hydrogen 2.836 N/A VAL 264.A N GLU 199.A O no hydrogen 2.761 N/A LEU 265.A N TYR 273.A O no hydrogen 3.042 N/A VAL 266.A N HIS 197.A O no hydrogen 2.622 N/A ASP 267.A N ARG 271.A O no hydrogen 3.172 N/A GLU 268.A N LYS 194.A O no hydrogen 3.213 N/A GLU 269.A N ASP 267.A OD1 no hydrogen 2.808 N/A ASP 270.A N ASP 267.A O no hydrogen 2.986 N/A ARG 271.A N ASP 267.A OD1 no hydrogen 2.668 N/A TYR 273.A N LEU 265.A O no hydrogen 2.878 N/A TYR 273.A OH ASP 267.A OD2 no hydrogen 3.112 N/A LYS 275.A N LEU 263.A O no hydrogen 3.138 N/A GLN 276.A NE2 ASN 262.A OD1 no hydrogen 3.008 N/A GLN 277.A N LEU 261.A O no hydrogen 2.815 N/A GLN 277.A NE2 LYS 156.A O no hydrogen 3.211 N/A ILE 279.A N TYR 259.A O no hydrogen 2.843 N/A ILE 280.A N SER 174.A O no hydrogen 2.882 N/A LEU 281.A N THR 247.A OG1 no hydrogen 2.866 N/A TRP 282.A N TYR 176.A O no hydrogen 3.036 N/A ARG 283.A NH1 GLU 111.A OE1 no hydrogen 2.341 N/A ARG 283.A NH1 GLU 111.A OE2 no hydrogen 2.998 N/A ARG 283.A NH2 GLU 111.A OE2 no hydrogen 2.668 N/A