Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aa6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N SER 3.A OG no hydrogen 3.311 N/A LYS 7.A N SER 3.A O no hydrogen 3.060 N/A VAL 8.A N ASP 4.A O no hydrogen 2.881 N/A ARG 9.A N GLU 5.A O no hydrogen 3.013 N/A ARG 9.A NE GLU 6.A OE1 no hydrogen 3.113 N/A ARG 9.A NH2 GLU 6.A OE2 no hydrogen 2.895 N/A ILE 10.A N GLU 6.A O no hydrogen 3.098 N/A ALA 11.A N LYS 7.A O no hydrogen 2.899 N/A ALA 12.A N VAL 8.A O no hydrogen 2.903 N/A LYS 13.A N ARG 9.A O no hydrogen 3.091 N/A PHE 14.A N ILE 10.A O no hydrogen 2.975 N/A ILE 15.A N ALA 11.A O no hydrogen 3.063 N/A THR 16.A N ALA 12.A O no hydrogen 3.121 N/A THR 16.A OG1 LYS 13.A O no hydrogen 2.666 N/A HIS 17.A N LYS 13.A O no hydrogen 3.121 N/A HIS 17.A N PHE 14.A O no hydrogen 3.005 N/A ALA 18.A N ILE 15.A O no hydrogen 3.394 N/A GLU 22.A N PRO 19.A O no hydrogen 3.149 N/A GLU 25.A N GLU 25.A OE1 no hydrogen 2.741 N/A VAL 26.A N GLU 22.A O no hydrogen 3.129 N/A PHE 27.A N PHE 23.A O no hydrogen 2.835 N/A ASN 28.A N ASN 24.A O no hydrogen 2.873 N/A ASP 29.A N GLU 25.A O no hydrogen 2.924 N/A VAL 30.A N VAL 26.A O no hydrogen 2.984 N/A ARG 31.A N PHE 27.A O no hydrogen 2.896 N/A ARG 31.A NE ASP 37.A OD1 no hydrogen 3.030 N/A ARG 31.A NE ASP 37.A OD2 no hydrogen 3.221 N/A ARG 31.A NH2 ASP 37.A OD2 no hydrogen 2.516 N/A LEU 32.A N ASN 28.A O no hydrogen 3.153 N/A LEU 33.A N ASP 29.A O no hydrogen 3.009 N/A LEU 34.A N VAL 30.A O no hydrogen 2.812 N/A ASN 35.A N ARG 31.A O no hydrogen 3.017 N/A LEU 39.A N ASN 36.A OD1 no hydrogen 3.017 N/A LEU 40.A N ASN 36.A O no hydrogen 3.017 N/A ARG 41.A N ASP 37.A O no hydrogen 2.916 N/A ARG 41.A NH1 ASN 38.A OD1 no hydrogen 2.726 N/A ARG 41.A NH2 ASN 38.A OD1 no hydrogen 2.587 N/A GLU 42.A N ASN 38.A O no hydrogen 3.011 N/A GLY 43.A N LEU 39.A O no hydrogen 2.792 N/A ALA 44.A N LEU 40.A O no hydrogen 3.089 N/A ALA 47.A N ALA 44.A O no hydrogen 3.032 N/A GLN 50.A N HIS 46.A O no hydrogen 2.923 N/A GLN 50.A NE2 ASP 54.A OD2 no hydrogen 2.702 N/A TYR 51.A N ALA 47.A O no hydrogen 2.913 N/A TYR 51.A OH PRO 19.A O no hydrogen 3.144 N/A ASN 52.A N PHE 48.A O no hydrogen 3.099 N/A ASN 52.A ND2 THR 57.A OG1 no hydrogen 3.189 N/A MET 53.A N ALA 49.A O no hydrogen 3.022 N/A ASP 54.A N GLN 50.A O no hydrogen 2.840 N/A GLN 55.A N TYR 51.A O no hydrogen 2.873 N/A PHE 56.A N MET 53.A O no hydrogen 3.449 N/A THR 57.A N ASN 52.A O no hydrogen 3.195 N/A THR 57.A OG1 ASN 52.A O no hydrogen 3.323 N/A VAL 59.A N VAL 68.A O no hydrogen 2.830 N/A TYR 64.A N ILE 61.A O no hydrogen 2.977 N/A VAL 68.A N VAL 59.A O no hydrogen 3.065 N/A LEU 69.A N THR 136.A OG1 no hydrogen 2.997 N/A ILE 70.A N THR 57.A O no hydrogen 2.931 N/A THR 71.A OG1 TYR 138.A OH no hydrogen 2.678 N/A HIS 73.A N THR 71.A OG1 no hydrogen 3.171 N/A HIS 73.A NE2 GLU 170.A OE1 no hydrogen 2.910 N/A GLY 74.A N THR 71.A O no hydrogen 3.031 N/A LEU 76.A N ARG 80.A O no hydrogen 2.989 N/A GLY 77.A N ASP 75.A OD2 no hydrogen 3.095 N/A ARG 80.A N GLY 77.A O no hydrogen 3.267 N/A ARG 80.A NE SER 89.A OG no hydrogen 3.054 N/A ARG 80.A NH1 ASP 101.A OD1 no hydrogen 3.076 N/A ARG 80.A NH2 SER 89.A OG no hydrogen 2.917 N/A ARG 80.A NH2 ASP 101.A O no hydrogen 2.963 N/A PHE 81.A N PHE 90.A O no hydrogen 2.899 N/A LEU 82.A N GLY 74.A O no hydrogen 2.717 N/A ASP 83.A N ILE 88.A O no hydrogen 2.765 N/A ARG 85.A N ASP 83.A OD2 no hydrogen 2.873 N/A ARG 85.A NE ASP 119.A OD1 no hydrogen 3.376 N/A ARG 85.A NE ASP 119.A OD2 no hydrogen 2.853 N/A ARG 85.A NH1 ASP 66.A OD2 no hydrogen 3.181 N/A ARG 85.A NH2 ASP 119.A OD1 no hydrogen 2.998 N/A ASN 86.A N ASP 83.A OD2 no hydrogen 2.862 N/A ASN 86.A ND2 ASP 83.A OD1 no hydrogen 2.675 N/A LYS 87.A NZ ASP 116.A OD1 no hydrogen 2.797 N/A ILE 88.A N ASP 83.A O no hydrogen 3.140 N/A SER 89.A N GLN 103.A O no hydrogen 2.883 N/A SER 89.A OG GLU 105.A OE2 no hydrogen 2.693 N/A PHE 90.A N PHE 81.A O no hydrogen 2.945 N/A LYS 91.A N SER 100.A O no hydrogen 2.727 N/A LYS 91.A NZ.B ASP 101.A OD1 no hydrogen 3.257 N/A PHE 92.A N GLY 79.A O no hydrogen 2.998 N/A ASP 93.A N GLU 98.A O no hydrogen 2.936 N/A HIS 94.A ND1 ASN 52.A OD1 no hydrogen 3.151 N/A LEU 95.A N ASP 93.A OD2 no hydrogen 2.896 N/A ARG 96.A N ASP 93.A OD2 no hydrogen 2.867 N/A ARG 96.A NH1 GLU 98.A OE2 no hydrogen 3.458 N/A LYS 97.A NZ HIS 94.A O no hydrogen 2.856 N/A LYS 97.A NZ LEU 95.A O no hydrogen 3.146 N/A GLU 98.A N ASP 93.A O no hydrogen 3.322 N/A SER 100.A N LYS 91.A O no hydrogen 2.895 N/A GLN 103.A N SER 89.A O no hydrogen 2.942 N/A GLN 103.A NE2 ASP 101.A OD2 no hydrogen 2.718 N/A GLU 105.A N LYS 87.A O no hydrogen 2.887 N/A ARG 115.A N LEU 111.A O no hydrogen 2.947 N/A ARG 115.A NE ASP 116.A OD1 no hydrogen 3.123 N/A ARG 115.A NH1 VAL 137.A O no hydrogen 2.890 N/A ARG 115.A NH2 ASP 116.A OD1 no hydrogen 3.087 N/A ARG 115.A NH2 ASP 119.A OD2 no hydrogen 2.918 N/A ASP 116.A N LYS 112.A O no hydrogen 3.057 N/A ALA 117.A N GLN 113.A O no hydrogen 2.818 N/A CYS 118.A N TRP 114.A O no hydrogen 2.987 N/A CYS 118.A SG TRP 114.A O no hydrogen 3.307 N/A ASP 119.A N ARG 115.A O no hydrogen 2.873 N/A SER 120.A N ASP 116.A O no hydrogen 2.905 N/A ALA 121.A N ALA 117.A O no hydrogen 3.030 N/A LEU 122.A N CYS 118.A O no hydrogen 2.737 N/A ARG 123.A N ASP 119.A O no hydrogen 2.876 N/A ALA 124.A N SER 120.A O no hydrogen 3.402 N/A TYR 125.A N ALA 121.A O no hydrogen 3.122 N/A TYR 125.A OH GLU 230.A OE1 no hydrogen 2.486 N/A VAL 126.A N LEU 122.A O no hydrogen 2.783 N/A LYS 127.A N ARG 123.A O no hydrogen 2.913 N/A LYS 127.A NZ ASP 66.A OD1 no hydrogen 2.760 N/A LYS 127.A NZ GLY 133.A O no hydrogen 2.905 N/A ASP 128.A N ALA 124.A O no hydrogen 2.933 N/A HIS 129.A N TYR 125.A O no hydrogen 2.969 N/A HIS 129.A N VAL 126.A O no hydrogen 3.293 N/A HIS 129.A ND1 TYR 125.A O no hydrogen 2.939 N/A TYR 130.A N VAL 126.A O no hydrogen 3.015 N/A TYR 130.A OH GLU 230.A OE1 no hydrogen 2.457 N/A PHE 134.A N GLU 153.A O no hydrogen 2.811 N/A THR 136.A N CYS 151.A O no hydrogen 2.947 N/A TYR 138.A N ILE 149.A O no hydrogen 2.843 N/A TYR 138.A OH THR 71.A OG1 no hydrogen 2.678 N/A LYS 140.A N THR 147.A O no hydrogen 3.043 N/A LYS 140.A NZ HIS 73.A O no hydrogen 2.968 N/A SER 141.A N GLU 108.A OE1 no hydrogen 3.127 N/A SER 141.A OG.B GLU 108.A OE1 no hydrogen 3.394 N/A SER 141.A OG.B GLU 108.A OE2 no hydrogen 3.348 N/A SER 141.A OG.B GLN 146.A OE1 no hydrogen 3.264 N/A ILE 142.A N GLN 145.A O no hydrogen 2.771 N/A GLN 145.A N ILE 142.A O no hydrogen 2.840 N/A GLN 146.A NE2 SER 141.A OG.B no hydrogen 3.152 N/A THR 147.A N LYS 140.A O no hydrogen 2.803 N/A THR 147.A OG1 GLN 145.A O no hydrogen 3.069 N/A ILE 148.A N PHE 173.A O no hydrogen 2.912 N/A ILE 149.A N TYR 138.A O no hydrogen 2.886 N/A ALA 150.A N TRP 171.A O no hydrogen 2.699 N/A CYS 151.A N THR 136.A O no hydrogen 2.861 N/A CYS 151.A SG GLU 170.A OE1 no hydrogen 3.736 N/A ILE 152.A N SER 169.A O no hydrogen 2.885 N/A GLU 153.A N PHE 134.A O no hydrogen 2.842 N/A SER 154.A N TRP 167.A O no hydrogen 3.067 N/A HIS 155.A ND1 GLU 153.A OE1 no hydrogen 2.661 N/A GLN 156.A N GLY 165.A O no hydrogen 3.005 N/A GLN 156.A NE2 ASN 132.A OD1.A no hydrogen 3.624 N/A GLN 158.A N TRP 163.A O no hydrogen 2.904 N/A GLN 158.A NE2.A ASN 161.A OD1 no hydrogen 3.100 N/A ASN 161.A N GLN 158.A O no hydrogen 3.004 N/A PHE 162.A N PRO 159.A O no hydrogen 2.981 N/A TRP 163.A N GLN 158.A O no hydrogen 3.184 N/A ASN 164.A N HIS 191.A O no hydrogen 2.981 N/A ASN 164.A ND2 GLU 22.A OE2 no hydrogen 2.787 N/A GLY 165.A N GLN 156.A O no hydrogen 2.848 N/A ARG 166.A N GLN 189.A O no hydrogen 2.919 N/A ARG 166.A NE.A GLU 153.A OE1 no hydrogen 2.796 N/A ARG 166.A NH1.A GLN 55.A OE1 no hydrogen 3.464 N/A ARG 166.A NH2.A GLU 153.A OE1 no hydrogen 2.954 N/A ARG 166.A NH2.A HIS 155.A ND1 no hydrogen 3.294 N/A TRP 167.A N SER 154.A O no hydrogen 2.804 N/A TRP 167.A NE1 SER 169.A OG no hydrogen 3.239 N/A ARG 168.A N LYS 187.A O no hydrogen 2.981 N/A ARG 168.A NH1 ASP 54.A O no hydrogen 2.892 N/A SER 169.A N ILE 152.A O no hydrogen 2.942 N/A SER 169.A OG GLU 230.A OE2 no hydrogen 2.644 N/A GLU 170.A N VAL 185.A O no hydrogen 2.885 N/A TRP 171.A N ALA 150.A O no hydrogen 2.791 N/A TRP 171.A NE1 GLU 230.A OE2 no hydrogen 2.946 N/A LYS 172.A N ALA 183.A O no hydrogen 2.832 N/A PHE 173.A N ILE 148.A O no hydrogen 2.812 N/A THR 174.A N GLN 181.A O no hydrogen 2.949 N/A ILE 175.A N GLN 146.A O no hydrogen 2.965 N/A THR 176.A N THR 179.A O no hydrogen 2.858 N/A THR 176.A OG1 THR 179.A O no hydrogen 3.246 N/A THR 176.A OG1 THR 179.A OG1 no hydrogen 3.210 N/A THR 179.A N THR 176.A O no hydrogen 2.943 N/A THR 179.A OG1 THR 176.A O no hydrogen 3.235 N/A THR 179.A OG1 THR 176.A OG1 no hydrogen 3.210 N/A THR 179.A OG1 GLN 181.A OE1 no hydrogen 3.389 N/A ALA 180.A N VAL 210.A O no hydrogen 2.746 N/A GLN 181.A N THR 174.A O no hydrogen 3.108 N/A GLN 181.A NE2 THR 176.A OG1 no hydrogen 2.395 N/A VAL 182.A N ASP 208.A O no hydrogen 2.832 N/A ALA 183.A N LYS 172.A O no hydrogen 3.049 N/A ALA 184.A N ILE 206.A O no hydrogen 2.938 N/A VAL 185.A N GLU 170.A O no hydrogen 2.945 N/A LEU 186.A N LYS 204.A O no hydrogen 2.951 N/A LYS 187.A N ARG 168.A O no hydrogen 2.804 N/A ILE 188.A N SER 202.A O no hydrogen 2.876 N/A GLN 189.A N ARG 166.A O no hydrogen 2.931 N/A GLN 189.A NE2 GLN 199.A OE1 no hydrogen 2.894 N/A VAL 190.A N LEU 200.A O no hydrogen 2.965 N/A HIS 191.A N ASN 164.A O no hydrogen 2.835 N/A HIS 191.A ND1 GLU 22.A OE2 no hydrogen 2.610 N/A TYR 192.A N VAL 198.A O no hydrogen 2.868 N/A TYR 193.A N PHE 162.A O no hydrogen 2.834 N/A VAL 198.A N TYR 192.A O no hydrogen 2.872 N/A GLN 199.A NE2 ASN 197.A OD1 no hydrogen 3.174 N/A LEU 200.A N VAL 190.A O no hydrogen 2.955 N/A SER 202.A N ILE 188.A O no hydrogen 2.976 N/A SER 202.A OG TYR 233.A OH no hydrogen 2.708 N/A LYS 204.A N LEU 186.A O no hydrogen 2.922 N/A ILE 206.A N ALA 184.A O no hydrogen 2.962 N/A ASP 208.A N VAL 182.A O no hydrogen 2.919 N/A SER 209.A N ASP 208.A OD2 no hydrogen 2.824 N/A SER 209.A OG GLN 181.A OE1 no hydrogen 3.541 N/A VAL 210.A N ALA 180.A O no hydrogen 3.012 N/A VAL 212.A N PRO 178.A O no hydrogen 2.965 N/A SER 213.A N THR 218.A OG1.A no hydrogen 2.935 N/A VAL 216.A N ASP 215.A OD2 no hydrogen 2.779 N/A THR 218.A N SER 214.A O no hydrogen 2.965 N/A THR 218.A OG1.A SER 214.A O no hydrogen 2.536 N/A ALA 219.A N ASP 215.A O no hydrogen 2.968 N/A LYS 220.A N VAL 216.A O no hydrogen 3.228 N/A GLU 221.A N GLN 217.A O no hydrogen 3.043 N/A PHE 222.A N THR 218.A O no hydrogen 2.746 N/A ILE 223.A N ALA 219.A O no hydrogen 2.982 N/A LYS 224.A N LYS 220.A O no hydrogen 3.049 N/A ILE 225.A N GLU 221.A O no hydrogen 3.112 N/A ILE 226.A N PHE 222.A O no hydrogen 3.008 N/A GLU 227.A N ILE 223.A O no hydrogen 2.836 N/A ASN 228.A N LYS 224.A O no hydrogen 2.896 N/A ALA 229.A N ILE 225.A O no hydrogen 3.063 N/A GLU 230.A N ILE 226.A O no hydrogen 2.825 N/A ASN 231.A N GLU 227.A O no hydrogen 2.934 N/A GLU 232.A N ASN 228.A O no hydrogen 3.060 N/A TYR 233.A N ALA 229.A O no hydrogen 2.911 N/A TYR 233.A OH SER 202.A OG no hydrogen 2.708 N/A GLN 234.A N GLU 230.A O no hydrogen 3.000 N/A THR 235.A N ASN 231.A O no hydrogen 2.883 N/A THR 235.A OG1 ASN 231.A O no hydrogen 3.030 N/A ALA 236.A N GLU 232.A O no hydrogen 2.796 N/A ILE 237.A N TYR 233.A O no hydrogen 2.894 N/A SER 238.A N GLN 234.A O no hydrogen 3.223 N/A SER 238.A OG.A GLN 234.A O no hydrogen 3.519 N/A SER 238.A OG.A THR 235.A O no hydrogen 2.727 N/A GLU 239.A N THR 235.A O no hydrogen 3.047 N/A ASN 240.A N ALA 236.A O no hydrogen 2.823 N/A TYR 241.A N ILE 237.A O no hydrogen 2.938 N/A GLN 242.A N SER 238.A O no hydrogen 3.180 N/A GLN 242.A NE2 ASP 246.A OD1.B no hydrogen 3.225 N/A GLN 242.A NE2 ASP 246.A OD2.B no hydrogen 2.747 N/A THR 243.A N GLU 239.A O no hydrogen 3.007 N/A THR 243.A OG1 GLU 239.A O no hydrogen 3.233 N/A MET 244.A N ASN 240.A O no hydrogen 2.848 N/A SER 245.A N TYR 241.A O no hydrogen 3.027 N/A SER 245.A OG.A TYR 241.A O no hydrogen 3.186 N/A SER 245.A OG.A GLN 242.A O no hydrogen 2.760 N/A ASP 246.A N GLN 242.A O no hydrogen 2.830 N/A THR 247.A N THR 243.A O no hydrogen 2.795 N/A THR 247.A OG1 ASP 246.A OD1.A no hydrogen 3.039 N/A PHE 249.A N MET 244.A O no hydrogen 2.763 N/A ALA 251.A N THR 247.A O no hydrogen 3.007 N/A LEU 252.A N THR 248.A O no hydrogen 3.138 N/A LEU 252.A N PHE 249.A O no hydrogen 3.179 N/A ARG 253.A NH1 ARG 254.A O no hydrogen 3.042 N/A ARG 254.A NE LEU 256.A O no hydrogen 2.636 N/A THR 259.A OG1 THR 261.A O no hydrogen 3.354 N/A ARG 260.A N PRO 257.A O no hydrogen 2.886 N/A THR 261.A OG1 LYS 262.A O no hydrogen 3.088 N/A ASN 266.A N ASP 264.A OD2 no hydrogen 3.135 N/A LYS 267.A N ASP 264.A OD2 no hydrogen 3.432 N/A ILE 268.A N ASP 264.A O no hydrogen 3.045 N/A LEU 269.A N TRP 265.A O no hydrogen 3.294 N/A SER 270.A OG ASN 266.A O no hydrogen 3.469 N/A SER 270.A OG LYS 267.A O no hydrogen 3.258 N/A