Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dey_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 GLY 57.A O no hydrogen 3.291 N/A THR 3.A N SER 29.A O no hydrogen 2.671 N/A VAL 4.A N ASP 85.A OD2 no hydrogen 2.900 N/A VAL 5.A N LYS 31.A O no hydrogen 2.908 N/A LEU 6.A N VAL 86.A O no hydrogen 2.960 N/A ILE 7.A N TYR 33.A O no hydrogen 2.994 N/A THR 8.A N VAL 88.A O no hydrogen 2.992 N/A THR 8.A OG1 VAL 88.A O no hydrogen 3.549 N/A CYS 10.A N THR 35.A O no hydrogen 3.058 N/A CYS 10.A SG ILE 7.A O no hydrogen 3.446 N/A CYS 10.A SG GLY 15.A O no hydrogen 3.556 N/A LEU 16.A N SER 12.A O no hydrogen 3.333 N/A HIS 17.A N GLY 13.A O no hydrogen 3.066 N/A HIS 17.A ND1 GLY 13.A O no hydrogen 2.704 N/A LEU 18.A N ILE 14.A O no hydrogen 2.802 N/A ALA 19.A N GLY 15.A O no hydrogen 3.025 N/A VAL 20.A N LEU 16.A O no hydrogen 3.226 N/A ARG 21.A N HIS 17.A O no hydrogen 2.961 N/A ARG 21.A NE GLU 231.A OE1 no hydrogen 2.741 N/A ARG 21.A NH1 ARG 21.A O no hydrogen 3.289 N/A ARG 21.A NH1 ASP 25.A OD1 no hydrogen 2.831 N/A ARG 21.A NH2 GLU 231.A OE2 no hydrogen 3.269 N/A LEU 22.A N LEU 18.A O no hydrogen 2.978 N/A ALA 23.A N ALA 19.A O no hydrogen 3.015 N/A SER 24.A N VAL 20.A O no hydrogen 2.953 N/A SER 24.A OG VAL 20.A O no hydrogen 2.525 N/A SER 24.A OG ARG 21.A O no hydrogen 3.405 N/A ASP 25.A N LEU 22.A O no hydrogen 3.261 N/A SER 27.A N ASP 25.A OD2 no hydrogen 3.140 N/A SER 27.A OG ASP 25.A OD2 no hydrogen 2.322 N/A SER 27.A OG SER 29.A OG no hydrogen 2.241 N/A GLN 28.A N ASP 25.A O no hydrogen 2.798 N/A SER 29.A OG SER 27.A OG no hydrogen 2.241 N/A LYS 31.A N THR 3.A O no hydrogen 2.918 N/A LYS 31.A NZ GLU 81.A OE2 no hydrogen 3.042 N/A VAL 32.A N SER 58.A O no hydrogen 2.839 N/A TYR 33.A N VAL 5.A O no hydrogen 2.797 N/A TYR 33.A OH GLU 81.A OE1 no hydrogen 2.578 N/A ALA 34.A N GLU 60.A O no hydrogen 2.833 N/A THR 35.A N ILE 7.A O no hydrogen 2.891 N/A THR 35.A OG1 ILE 7.A O no hydrogen 3.149 N/A LEU 36.A N LEU 62.A O no hydrogen 3.013 N/A ARG 37.A NE ASP 38.A OD2 no hydrogen 3.345 N/A ARG 37.A NH2 ASP 38.A OD2 no hydrogen 3.405 N/A THR 41.A N ASP 38.A O no hydrogen 2.963 N/A THR 41.A OG1 ASP 38.A O no hydrogen 2.767 N/A GLN 42.A N LEU 39.A O no hydrogen 2.979 N/A TRP 46.A N GLN 42.A O no hydrogen 3.140 N/A TRP 46.A NE1 GLN 42.A OE1 no hydrogen 3.073 N/A GLU 47.A N GLY 43.A O no hydrogen 2.849 N/A ALA 48.A N ARG 44.A O no hydrogen 3.110 N/A ALA 49.A N LEU 45.A O no hydrogen 2.827 N/A ARG 50.A N TRP 46.A O no hydrogen 2.990 N/A ALA 51.A N GLU 47.A O no hydrogen 3.084 N/A LEU 52.A N ALA 48.A O no hydrogen 3.005 N/A ALA 53.A N ARG 50.A O no hydrogen 2.887 N/A CYS 54.A N ALA 49.A O no hydrogen 2.957 N/A CYS 54.A SG VAL 20.A O no hydrogen 3.834 N/A CYS 54.A SG ALA 49.A O no hydrogen 3.594 N/A SER 58.A N PRO 55.A O no hydrogen 2.996 N/A SER 58.A OG ALA 23.A O no hydrogen 3.523 N/A SER 58.A OG PRO 55.A O no hydrogen 2.650 N/A GLU 60.A N VAL 32.A O no hydrogen 2.919 N/A THR 61.A OG1 GLN 42.A OE1 no hydrogen 3.175 N/A LEU 62.A N ALA 34.A O no hydrogen 3.086 N/A LEU 64.A N LEU 36.A O no hydrogen 2.860 N/A ASP 65.A N SER 71.A OG no hydrogen 2.843 N/A ARG 67.A N.A ASP 65.A OD1 no hydrogen 2.997 N/A ARG 67.A N.B ASP 65.A OD1 no hydrogen 2.984 N/A ARG 67.A NE.A ASP 65.A OD1 no hydrogen 2.980 N/A ARG 67.A NE.B ASP 112.A OD2 no hydrogen 2.640 N/A ARG 67.A NH1.B SER 109.A OG no hydrogen 2.875 N/A ARG 67.A NH2.A ASP 65.A OD2 no hydrogen 3.300 N/A ARG 67.A NH2.B ASP 112.A OD2 no hydrogen 3.038 N/A ASP 68.A N ASP 65.A O no hydrogen 3.033 N/A LYS 70.A N ASP 68.A OD1 no hydrogen 2.906 N/A VAL 72.A N ASP 68.A O no hydrogen 3.112 N/A ALA 73.A N SER 69.A O no hydrogen 3.004 N/A ALA 74.A N LYS 70.A O no hydrogen 2.865 N/A ALA 75.A N SER 71.A O no hydrogen 3.051 N/A ARG 76.A N VAL 72.A O no hydrogen 3.106 N/A ARG 76.A NH1 ALA 124.A O no hydrogen 2.916 N/A GLU 77.A N ALA 73.A O no hydrogen 3.046 N/A ARG 78.A N ALA 74.A O no hydrogen 3.292 N/A ARG 78.A N ALA 75.A O no hydrogen 3.030 N/A VAL 79.A N ARG 76.A O no hydrogen 3.111 N/A THR 80.A N TYR 33.A OH no hydrogen 3.350 N/A THR 80.A OG1 TYR 33.A OH no hydrogen 3.392 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.834 N/A GLY 82.A N VAL 79.A O no hydrogen 2.884 N/A ARG 83.A NE ASP 85.A OD1 no hydrogen 3.290 N/A ARG 83.A NE ASP 85.A OD2 no hydrogen 2.944 N/A ARG 83.A NH2 ASP 85.A OD2 no hydrogen 3.035 N/A ASP 85.A N VAL 4.A O no hydrogen 2.843 N/A VAL 86.A N VAL 4.A O no hydrogen 3.003 N/A LEU 87.A N ARG 136.A O no hydrogen 2.922 N/A VAL 88.A N LEU 6.A O no hydrogen 2.817 N/A CYS 89.A N LEU 138.A O no hydrogen 2.838 N/A ASN 90.A N THR 8.A OG1 no hydrogen 2.972 N/A ASN 90.A ND2 THR 8.A O no hydrogen 3.113 N/A ALA 91.A N THR 8.A OG1 no hydrogen 2.999 N/A LEU 93.A N ASN 114.A OD1 no hydrogen 2.764 N/A GLY 97.A N PHE 151.A O no hydrogen 2.976 N/A GLU 100.A N GLU 100.A OE2 no hydrogen 2.645 N/A ALA 101.A N PRO 98.A O no hydrogen 2.950 N/A LEU 102.A N LEU 99.A O no hydrogen 3.069 N/A VAL 107.A N GLY 103.A O no hydrogen 2.928 N/A ALA 108.A N GLU 104.A O no hydrogen 2.909 N/A SER 109.A N ASP 105.A O no hydrogen 2.865 N/A SER 109.A OG ASP 105.A O no hydrogen 2.912 N/A VAL 110.A N ALA 106.A O no hydrogen 3.111 N/A LEU 111.A N VAL 107.A O no hydrogen 3.176 N/A ASP 112.A N ALA 108.A O no hydrogen 2.771 N/A VAL 113.A N SER 109.A O no hydrogen 2.858 N/A ASN 114.A N VAL 110.A O no hydrogen 2.825 N/A ASN 114.A ND2 LEU 93.A O no hydrogen 2.982 N/A ASN 114.A ND2 SER 158.A OG no hydrogen 2.889 N/A VAL 115.A N LEU 111.A O no hydrogen 2.974 N/A VAL 116.A N LEU 111.A O no hydrogen 3.109 N/A GLY 117.A N ASP 112.A O no hydrogen 2.668 N/A THR 118.A OG1 ASN 114.A O no hydrogen 2.982 N/A VAL 119.A N VAL 115.A O no hydrogen 2.932 N/A ARG 120.A N VAL 116.A O no hydrogen 2.733 N/A ARG 120.A NH1 VAL 66.A O no hydrogen 2.892 N/A ARG 120.A NH1 ASP 112.A OD1 no hydrogen 3.101 N/A ARG 120.A NH2 ASP 112.A OD1 no hydrogen 2.959 N/A MET 121.A N GLY 117.A O no hydrogen 3.098 N/A LEU 122.A N THR 118.A O no hydrogen 2.992 N/A GLN 123.A N VAL 119.A O no hydrogen 2.815 N/A ALA 124.A N ARG 120.A O no hydrogen 3.016 N/A PHE 125.A N MET 121.A O no hydrogen 2.889 N/A LEU 126.A N LEU 122.A O no hydrogen 2.851 N/A LYS 130.A N LEU 126.A O no hydrogen 2.849 N/A ARG 131.A N PRO 127.A O no hydrogen 2.999 N/A ARG 131.A NE ASP 128.A OD2 no hydrogen 2.932 N/A ARG 132.A N ASP 128.A O no hydrogen 3.085 N/A ARG 132.A NE ASP 128.A OD1 no hydrogen 2.890 N/A ARG 132.A NH2 GLY 82.A O no hydrogen 3.241 N/A GLY 133.A N LYS 130.A O no hydrogen 3.228 N/A SER 134.A N MET 129.A O no hydrogen 3.067 N/A ARG 136.A N ASP 85.A O no hydrogen 2.913 N/A ARG 136.A NH1 ALA 239.A O no hydrogen 2.854 N/A ARG 136.A NH2 ALA 239.A O no hydrogen 3.228 N/A VAL 137.A N HIS 179.A O no hydrogen 2.784 N/A LEU 138.A N LEU 87.A O no hydrogen 2.753 N/A VAL 139.A N SER 181.A O no hydrogen 2.821 N/A THR 140.A N CYS 89.A O no hydrogen 2.900 N/A THR 140.A OG1 ASN 90.A OD1 no hydrogen 2.696 N/A GLY 141.A N ILE 183.A O no hydrogen 2.701 N/A VAL 143.A N CYS 185.A O no hydrogen 2.875 N/A GLY 144.A N SER 142.A OG no hydrogen 2.850 N/A GLY 145.A N SER 142.A O no hydrogen 2.846 N/A LEU 146.A N VAL 143.A O no hydrogen 2.960 N/A MET 147.A N VAL 143.A O no hydrogen 3.176 N/A ASN 152.A N LEU 149.A O no hydrogen 2.958 N/A ASN 152.A ND2 PRO 150.A O no hydrogen 3.070 N/A ASN 152.A ND2 TYR 211.A OH no hydrogen 2.824 N/A CYS 156.A N ASN 152.A O no hydrogen 2.694 N/A CYS 156.A SG GLY 144.A O no hydrogen 3.372 N/A CYS 156.A SG MET 147.A O no hydrogen 4.046 N/A ALA 157.A N ASP 153.A O no hydrogen 2.883 N/A SER 158.A N VAL 154.A O no hydrogen 2.951 N/A SER 158.A OG TYR 155.A O no hydrogen 2.639 N/A LYS 159.A N TYR 155.A O no hydrogen 2.924 N/A LYS 159.A NZ THR 140.A O no hydrogen 2.987 N/A PHE 160.A N CYS 156.A O no hydrogen 2.803 N/A ALA 161.A N ALA 157.A O no hydrogen 2.869 N/A LEU 162.A N SER 158.A O no hydrogen 3.212 N/A GLU 163.A N LYS 159.A O no hydrogen 3.176 N/A GLY 164.A N PHE 160.A O no hydrogen 3.159 N/A LEU 165.A N ALA 161.A O no hydrogen 2.844 N/A CYS 166.A N LEU 162.A O no hydrogen 2.935 N/A CYS 166.A SG LEU 162.A O no hydrogen 3.309 N/A GLU 167.A N GLU 163.A O no hydrogen 2.883 N/A SER 168.A N GLY 164.A O no hydrogen 3.112 N/A SER 168.A OG GLY 164.A O no hydrogen 2.826 N/A LEU 169.A N LEU 165.A O no hydrogen 3.093 N/A ALA 170.A N CYS 166.A O no hydrogen 2.867 N/A VAL 171.A N GLU 167.A O no hydrogen 3.216 N/A LEU 172.A N LEU 169.A O no hydrogen 3.017 N/A LEU 173.A N LEU 169.A O no hydrogen 2.856 N/A PHE 176.A N LEU 173.A O no hydrogen 2.868 N/A GLY 177.A N LEU 174.A O no hydrogen 3.231 N/A HIS 179.A N GLY 135.A O no hydrogen 3.023 N/A SER 181.A N VAL 137.A O no hydrogen 2.890 N/A SER 181.A OG THR 243.A O no hydrogen 2.649 N/A LEU 182.A N LEU 244.A O no hydrogen 2.684 N/A ILE 183.A N VAL 139.A O no hydrogen 2.918 N/A GLU 184.A N TYR 246.A O no hydrogen 2.813 N/A CYS 185.A N GLY 141.A O no hydrogen 3.344 N/A CYS 185.A SG ILE 183.A O no hydrogen 3.626 N/A HIS 189.A N GLN 224.A O no hydrogen 2.825 N/A SER 192.A OG GLU 195.A OE2 no hydrogen 2.580 N/A VAL 196.A N SER 192.A O no hydrogen 3.013 N/A LEU 197.A N PRO 193.A O no hydrogen 2.833 N/A ASP 198.A N GLU 194.A O no hydrogen 3.118 N/A ARG 199.A N VAL 196.A O no hydrogen 2.933 N/A ARG 199.A NH1 GLU 195.A O no hydrogen 2.768 N/A THR 200.A N LEU 197.A O no hydrogen 3.335 N/A THR 200.A OG1 GLU 100.A OE1 no hydrogen 2.850 N/A THR 204.A N ASP 201.A OD2 no hydrogen 2.772 N/A THR 204.A OG1 ASP 201.A OD1 no hydrogen 2.444 N/A THR 204.A OG1 ASP 201.A OD2 no hydrogen 3.315 N/A PHE 205.A N ASP 201.A O no hydrogen 2.824 N/A HIS 206.A N ILE 202.A O no hydrogen 2.967 N/A ARG 207.A N HIS 203.A O no hydrogen 3.071 N/A ARG 207.A NH1 GLN 210.A OE1 no hydrogen 3.441 N/A PHE 208.A N THR 204.A O no hydrogen 2.805 N/A TYR 209.A N PHE 205.A O no hydrogen 3.168 N/A GLN 210.A N HIS 206.A O no hydrogen 3.047 N/A TYR 211.A N ARG 207.A O no hydrogen 2.857 N/A LEU 212.A N PHE 208.A O no hydrogen 2.891 N/A ALA 213.A N TYR 209.A O no hydrogen 2.879 N/A HIS 214.A N GLN 210.A O no hydrogen 3.035 N/A SER 215.A N TYR 211.A O no hydrogen 2.779 N/A LYS 216.A N LEU 212.A O no hydrogen 2.946 N/A GLN 217.A N.A ALA 213.A O no hydrogen 3.229 N/A GLN 217.A N.A HIS 214.A O no hydrogen 3.120 N/A GLN 217.A N.B ALA 213.A O no hydrogen 3.191 N/A GLN 217.A N.B HIS 214.A O no hydrogen 3.125 N/A GLN 217.A NE2.A GLU 221.A OE1 no hydrogen 3.299 N/A VAL 218.A N HIS 214.A O no hydrogen 2.952 N/A PHE 219.A N SER 215.A O no hydrogen 2.909 N/A ARG 220.A N LYS 216.A O no hydrogen 2.969 N/A ARG 220.A NE GLN 217.A OE1.A no hydrogen 2.892 N/A ARG 220.A NH2 GLN 217.A OE1.A no hydrogen 3.218 N/A GLU 221.A N GLN 217.A O.A no hydrogen 3.048 N/A GLU 221.A N GLN 217.A O.B no hydrogen 2.915 N/A ALA 222.A N VAL 218.A O no hydrogen 2.793 N/A ALA 223.A N PHE 219.A O no hydrogen 3.051 N/A GLN 224.A N PRO 187.A O no hydrogen 2.953 N/A GLN 224.A NE2 THR 248.A OG1 no hydrogen 2.739 N/A GLU 227.A N GLU 227.A OE2 no hydrogen 2.770 N/A VAL 229.A N ASN 225.A O no hydrogen 3.133 N/A ALA 230.A N PRO 226.A O no hydrogen 2.767 N/A GLU 231.A N GLU 227.A O no hydrogen 3.321 N/A GLU 231.A N GLU 228.A O no hydrogen 3.156 N/A PHE 233.A N VAL 229.A O no hydrogen 3.353 N/A LEU 234.A N ALA 230.A O no hydrogen 3.169 N/A THR 235.A N GLU 231.A O no hydrogen 2.868 N/A THR 235.A OG1 GLU 231.A O no hydrogen 3.145 N/A ALA 236.A N VAL 232.A O no hydrogen 3.105 N/A LEU 237.A N PHE 233.A O no hydrogen 2.927 N/A ARG 238.A N LEU 234.A O no hydrogen 3.075 N/A ALA 239.A N ALA 236.A O no hydrogen 3.351 N/A THR 243.A N TYR 246.A OH no hydrogen 3.215 N/A THR 243.A OG1 ARG 245.A O no hydrogen 3.293 N/A ARG 245.A NE GLU 163.A OE1 no hydrogen 2.712 N/A ARG 245.A NH2 GLU 163.A OE1 no hydrogen 2.939 N/A ARG 245.A NH2 GLU 167.A OE2 no hydrogen 2.908 N/A TYR 246.A N LEU 182.A O no hydrogen 2.952 N/A THR 248.A N GLU 184.A O no hydrogen 2.991 N/A THR 248.A OG1 GLU 184.A O no hydrogen 3.472 N/A ARG 251.A N THR 249.A OG1 no hydrogen 3.077 N/A ARG 251.A NH1 GLU 221.A O no hydrogen 3.314 N/A LEU 253.A N GLU 250.A O no hydrogen 3.150 N/A LEU 256.A N PHE 252.A O no hydrogen 2.957 N/A ARG 257.A N LEU 253.A O no hydrogen 2.823 N/A MET 258.A N PRO 254.A O no hydrogen 3.144 N/A ARG 259.A N LEU 255.A O no hydrogen 3.026 N/A LEU 260.A N LEU 256.A O no hydrogen 2.758 N/A ASP 261.A N ARG 257.A O no hydrogen 2.778 N/A ASP 262.A N ARG 259.A O no hydrogen 3.398 N/A SER 264.A N ASP 262.A OD2 no hydrogen 3.220 N/A SER 264.A OG ASP 262.A OD1 no hydrogen 3.264 N/A SER 264.A OG ASP 262.A OD2 no hydrogen 2.629 N/A GLY 265.A N ASP 262.A O no hydrogen 3.035 N/A SER 266.A N SER 264.A OG no hydrogen 3.358 N/A ASN 267.A N ASP 262.A OD1 no hydrogen 2.800 N/A TYR 268.A OH GLY 148.A O no hydrogen 2.735 N/A VAL 269.A N GLY 265.A O no hydrogen 2.939 N/A THR 270.A N SER 266.A O no hydrogen 3.161 N/A THR 270.A OG1 SER 266.A O no hydrogen 3.253 N/A ALA 271.A N ASN 267.A O no hydrogen 2.998 N/A MET 272.A N TYR 268.A O no hydrogen 2.805 N/A HIS 273.A N VAL 269.A O no hydrogen 2.928 N/A ARG 274.A N THR 270.A O no hydrogen 2.978 N/A GLU 275.A N ALA 271.A O no hydrogen 2.767 N/A VAL 276.A N MET 272.A O no hydrogen 2.985 N/A PHE 277.A N HIS 273.A O no hydrogen 2.764 N/A