Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cc6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 GLY 5.A O no hydrogen 3.533 N/A ARG 8.A NH1 PRO 83.A O no hydrogen 2.781 N/A ARG 8.A NH2 GLU 81.A O no hydrogen 2.643 N/A ARG 8.A NH2 PRO 83.A O no hydrogen 3.284 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.863 N/A ASP 10.A N ALA 7.A O no hydrogen 2.986 N/A VAL 11.A N ARG 8.A O no hydrogen 3.080 N/A VAL 12.A N VAL 29.A O.A no hydrogen 2.884 N/A VAL 12.A N VAL 29.A O.B no hydrogen 2.899 N/A ASN 14.A N GLU 27.A O no hydrogen 2.806 N/A ARG 15.A N GLU 27.A O no hydrogen 3.385 N/A LEU 17.A N VAL 25.A O no hydrogen 2.771 N/A GLY 18.A N VAL 25.A O no hydrogen 3.131 N/A GLY 20.A N GLY 23.A O no hydrogen 2.826 N/A VAL 25.A N GLY 18.A O no hydrogen 2.754 N/A TYR 26.A N VAL 42.A O no hydrogen 2.957 N/A GLU 27.A N ARG 15.A O no hydrogen 2.780 N/A GLY 28.A N VAL 40.A O no hydrogen 2.806 N/A VAL 29.A N.A VAL 12.A O no hydrogen 2.831 N/A VAL 29.A N.B VAL 12.A O no hydrogen 2.835 N/A TYR 30.A N ILE 38.A O no hydrogen 2.761 N/A THR 31.A N ASP 10.A O no hydrogen 2.868 N/A ASN 32.A N GLU 36.A O no hydrogen 3.159 N/A GLY 35.A N ASN 32.A O no hydrogen 2.936 N/A GLU 36.A N ASN 32.A OD1 no hydrogen 2.803 N/A LYS 37.A NZ THR 31.A OG1 no hydrogen 2.912 N/A ILE 38.A N TYR 30.A O no hydrogen 2.728 N/A VAL 40.A N GLY 28.A O no hydrogen 2.927 N/A ALA 41.A N MET 88.A O no hydrogen 2.844 N/A VAL 42.A N TYR 26.A O no hydrogen 2.779 N/A LYS 43.A N ILE 86.A O no hydrogen 2.825 N/A LYS 43.A NZ GLU 60.A OE2 no hydrogen 3.511 N/A LYS 43.A NZ ASP 153.A OD2 no hydrogen 2.814 N/A THR 44.A N GLU 24.A O no hydrogen 3.160 N/A THR 44.A OG1 GLU 24.A O no hydrogen 2.678 N/A CYS 45.A SG LYS 46.A O no hydrogen 4.038 N/A LYS 46.A N PHE 22.A O no hydrogen 3.094 N/A CYS 49.A N.A LYS 46.A O no hydrogen 3.075 N/A CYS 49.A N.B LYS 46.A O no hydrogen 3.108 N/A CYS 49.A SG.A PHE 22.A O no hydrogen 3.870 N/A CYS 49.A SG.B LYS 46.A O no hydrogen 3.095 N/A CYS 49.A SG.B THR 50.A O no hydrogen 3.712 N/A ASN 53.A N THR 50.A OG1 no hydrogen 3.288 N/A LYS 54.A N THR 50.A O no hydrogen 2.952 N/A LYS 54.A NZ LYS 47.A O no hydrogen 2.750 N/A GLU 55.A N LEU 51.A O no hydrogen 2.932 N/A LYS 56.A N ASP 52.A O no hydrogen 2.981 N/A LYS 56.A NZ TYR 159.A O no hydrogen 3.062 N/A PHE 57.A N ASN 53.A O no hydrogen 2.955 N/A MET 58.A N LYS 54.A O no hydrogen 3.153 N/A SER 59.A N GLU 55.A O no hydrogen 2.799 N/A SER 59.A OG GLU 55.A O no hydrogen 2.881 N/A GLU 60.A N LYS 56.A O no hydrogen 3.018 N/A ALA 61.A N PHE 57.A O no hydrogen 3.266 N/A VAL 62.A N MET 58.A O no hydrogen 2.878 N/A ILE 63.A N SER 59.A O no hydrogen 3.035 N/A MET 64.A N GLU 60.A O no hydrogen 2.944 N/A LYS 65.A N ALA 61.A O no hydrogen 2.767 N/A LYS 65.A NZ TYR 4.A OH no hydrogen 2.735 N/A ASN 66.A N VAL 62.A O no hydrogen 3.090 N/A ASN 66.A N ILE 63.A O no hydrogen 3.110 N/A ASN 66.A ND2 VAL 62.A O no hydrogen 2.832 N/A LEU 67.A N ILE 63.A O no hydrogen 2.931 N/A HIS 71.A N HIS 69.A ND1 no hydrogen 3.019 N/A HIS 71.A ND1 VAL 149.A O no hydrogen 2.908 N/A ILE 72.A N HIS 69.A O no hydrogen 3.139 N/A VAL 73.A N LEU 151.A O no hydrogen 2.836 N/A LYS 74.A N TYR 91.A OH no hydrogen 3.094 N/A LYS 74.A NZ LEU 75.A O no hydrogen 3.394 N/A ILE 76.A N ILE 87.A O no hydrogen 2.700 N/A GLY 77.A N ILE 87.A O no hydrogen 3.191 N/A ILE 79.A N TRP 85.A O no hydrogen 2.879 N/A THR 84.A OG1 GLU 80.A O.A no hydrogen 2.498 N/A THR 84.A OG1 GLU 80.A O.B no hydrogen 2.790 N/A TRP 85.A N ILE 79.A O no hydrogen 2.958 N/A ILE 86.A N LYS 43.A O no hydrogen 2.887 N/A ILE 87.A N GLY 77.A O no hydrogen 2.850 N/A MET 88.A N ALA 41.A O no hydrogen 2.793 N/A GLU 89.A N LYS 74.A O no hydrogen 3.014 N/A LEU 90.A N ASN 39.A O.A no hydrogen 2.869 N/A LEU 90.A N ASN 39.A O.B no hydrogen 3.093 N/A GLY 94.A N TYR 91.A O no hydrogen 3.024 N/A LEU 96.A N ILE 141.A O.A no hydrogen 2.806 N/A LEU 96.A N ILE 141.A O.B no hydrogen 2.629 N/A GLY 97.A N VAL 138.A O no hydrogen 3.252 N/A TYR 99.A N GLU 95.A O no hydrogen 3.071 N/A LEU 100.A N LEU 96.A O no hydrogen 2.834 N/A GLU 101.A N.A GLY 97.A O no hydrogen 3.098 N/A GLU 101.A N.B GLY 97.A O no hydrogen 3.082 N/A ARG 102.A N HIS 98.A O no hydrogen 3.065 N/A ARG 102.A NH2 TYR 93.A O no hydrogen 2.772 N/A ASN 103.A N TYR 99.A O no hydrogen 3.085 N/A ASN 103.A ND2 TYR 99.A O no hydrogen 2.906 N/A LYS 104.A NZ.B ARG 102.A O no hydrogen 2.920 N/A SER 106.A N ASN 103.A O no hydrogen 2.962 N/A SER 106.A OG ASN 103.A O no hydrogen 3.230 N/A LEU 107.A N ASN 103.A O no hydrogen 3.043 N/A LYS 108.A NZ SER 106.A O no hydrogen 3.063 N/A THR 111.A N LYS 108.A O no hydrogen 3.033 N/A LEU 112.A N LYS 108.A O no hydrogen 3.425 N/A VAL 113.A N VAL 109.A O no hydrogen 2.977 N/A LEU 114.A N LEU 110.A O.A no hydrogen 2.935 N/A LEU 114.A N LEU 110.A O.B no hydrogen 2.937 N/A TYR 115.A N THR 111.A O no hydrogen 2.940 N/A TYR 115.A OH PRO 146.A O no hydrogen 2.655 N/A SER 116.A N LEU 112.A O no hydrogen 3.124 N/A SER 116.A OG LEU 112.A O no hydrogen 3.076 N/A LEU 117.A N VAL 113.A O no hydrogen 2.905 N/A GLN 118.A N LEU 114.A O no hydrogen 2.839 N/A GLN 118.A NE2 GLU 147.A O no hydrogen 2.888 N/A ILE 119.A N TYR 115.A O no hydrogen 3.028 N/A CYS 120.A N SER 116.A O no hydrogen 2.876 N/A CYS 120.A SG PHE 249.A O no hydrogen 3.946 N/A LYS 121.A N LEU 117.A O no hydrogen 2.872 N/A ALA 122.A N GLN 118.A O no hydrogen 3.192 N/A MET 123.A N ILE 119.A O no hydrogen 2.962 N/A ALA 124.A N CYS 120.A O no hydrogen 2.856 N/A TYR 125.A N LYS 121.A O no hydrogen 3.185 N/A LEU 126.A N ALA 122.A O no hydrogen 3.090 N/A GLU 127.A N MET 123.A O no hydrogen 2.765 N/A SER 128.A N ALA 124.A O no hydrogen 3.046 N/A SER 128.A N TYR 125.A O no hydrogen 3.001 N/A SER 128.A OG TYR 125.A O no hydrogen 2.623 N/A ILE 129.A N LEU 126.A O no hydrogen 3.175 N/A ASN 130.A N.A GLU 127.A O no hydrogen 3.079 N/A ASN 130.A N.B GLU 127.A O no hydrogen 3.099 N/A CYS 131.A N LEU 126.A O no hydrogen 2.919 N/A HIS 133.A N ASP 184.A OD2 no hydrogen 2.712 N/A HIS 133.A NE2 GLY 152.A O no hydrogen 2.867 N/A ARG 134.A N ASP 184.A OD1 no hydrogen 3.000 N/A ARG 134.A NH1 SER 157.A OG no hydrogen 2.984 N/A ASP 135.A N HIS 133.A ND1 no hydrogen 3.064 N/A VAL 138.A N GLU 194.A OE1 no hydrogen 2.866 N/A ARG 139.A NH1 ASP 135.A OD2 no hydrogen 2.601 N/A ARG 139.A NH2 ASP 135.A OD1 no hydrogen 2.626 N/A ARG 139.A NH2 ASP 135.A OD2 no hydrogen 3.172 N/A ASN 140.A N ALA 137.A O no hydrogen 2.803 N/A ASN 140.A ND2 ASP 135.A O no hydrogen 2.950 N/A ASN 140.A ND2 ASP 153.A O no hydrogen 2.837 N/A ILE 141.A N.A VAL 138.A O no hydrogen 3.351 N/A ILE 141.A N.B VAL 138.A O no hydrogen 3.365 N/A LEU 142.A N LYS 150.A O no hydrogen 2.863 N/A VAL 143.A N GLY 94.A O no hydrogen 2.825 N/A ALA 144.A N CYS 148.A O no hydrogen 2.963 N/A SER 145.A N CYS 148.A O no hydrogen 3.203 N/A SER 145.A OG GLU 147.A OE1 no hydrogen 3.318 N/A GLU 147.A N SER 145.A OG no hydrogen 3.025 N/A CYS 148.A N SER 145.A O no hydrogen 2.912 N/A CYS 148.A SG PRO 70.A O no hydrogen 3.510 N/A CYS 148.A SG HIS 71.A ND1 no hydrogen 3.678 N/A CYS 148.A SG VAL 149.A O no hydrogen 3.872 N/A VAL 149.A N GLN 118.A OE1 no hydrogen 2.963 N/A LYS 150.A N LEU 142.A O no hydrogen 2.834 N/A LYS 150.A NZ PRO 70.A O no hydrogen 2.741 N/A LEU 151.A N HIS 71.A O no hydrogen 2.770 N/A GLY 152.A N ASN 140.A O no hydrogen 2.809 N/A GLY 155.A N HIS 133.A O no hydrogen 2.810 N/A ARG 158.A N GLY 155.A O no hydrogen 3.351 N/A ARG 158.A NH1 VAL 132.A O no hydrogen 2.830 N/A TYR 159.A N LEU 156.A O no hydrogen 3.111 N/A ILE 166.A N LEU 164.A O no hydrogen 2.773 N/A LYS 167.A NZ GLN 201.A OE1 no hydrogen 3.097 N/A LYS 167.A NZ PHE 203.A O no hydrogen 3.247 N/A LYS 167.A NZ LEU 206.A O no hydrogen 2.730 N/A TRP 168.A N PRO 165.A O no hydrogen 2.977 N/A TRP 168.A NE1 GLU 194.A OE2 no hydrogen 2.868 N/A MET 169.A N ILE 166.A O no hydrogen 3.125 N/A SER 170.A OG SER 173.A OG no hydrogen 2.728 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.805 N/A SER 173.A N SER 170.A OG no hydrogen 3.025 N/A SER 173.A OG SER 170.A OG no hydrogen 2.728 N/A SER 173.A OG ARG 178.A O no hydrogen 2.699 N/A ILE 174.A N SER 170.A O no hydrogen 2.986 N/A ASN 175.A N PRO 171.A O no hydrogen 2.756 N/A PHE 176.A N GLU 172.A O no hydrogen 2.933 N/A ARG 177.A N SER 173.A O no hydrogen 3.089 N/A ARG 178.A N GLU 172.A O no hydrogen 3.156 N/A THR 180.A N SER 183.A OG.A no hydrogen 2.810 N/A THR 180.A N SER 183.A OG.B no hydrogen 3.271 N/A THR 180.A OG1 SER 183.A OG.B no hydrogen 3.210 N/A SER 183.A N.A THR 180.A OG1 no hydrogen 3.116 N/A SER 183.A N.B THR 180.A O no hydrogen 3.068 N/A SER 183.A N.B THR 180.A OG1 no hydrogen 3.093 N/A SER 183.A OG.A THR 180.A O no hydrogen 2.847 N/A SER 183.A OG.B GLU 172.A OE2 no hydrogen 2.975 N/A SER 183.A OG.B ARG 178.A O no hydrogen 3.434 N/A SER 183.A OG.B THR 180.A OG1 no hydrogen 3.210 N/A ASP 184.A N THR 180.A O no hydrogen 3.021 N/A VAL 185.A N THR 181.A O.A no hydrogen 2.981 N/A VAL 185.A N THR 181.A O.B no hydrogen 2.854 N/A TRP 186.A N ALA 182.A O no hydrogen 3.198 N/A MET 187.A N SER 183.A O.A no hydrogen 3.094 N/A MET 187.A N SER 183.A O.B no hydrogen 3.006 N/A PHE 188.A N ASP 184.A O no hydrogen 2.725 N/A ALA 189.A N VAL 185.A O no hydrogen 3.015 N/A VAL 190.A N TRP 186.A O no hydrogen 3.084 N/A CYS 191.A N MET 187.A O no hydrogen 2.855 N/A MET 192.A N.A PHE 188.A O no hydrogen 2.766 N/A MET 192.A N.B PHE 188.A O no hydrogen 2.766 N/A TRP 193.A N ALA 189.A O no hydrogen 2.942 N/A TRP 193.A NE1 PRO 222.A O no hydrogen 2.669 N/A GLU 194.A N VAL 190.A O no hydrogen 2.890 N/A ILE 195.A N CYS 191.A O no hydrogen 2.916 N/A LEU 196.A N.A MET 192.A O.A no hydrogen 2.894 N/A LEU 196.A N.A MET 192.A O.B no hydrogen 2.947 N/A LEU 196.A N.B MET 192.A O.A no hydrogen 2.904 N/A LEU 196.A N.B MET 192.A O.B no hydrogen 2.957 N/A SER 197.A N TRP 193.A O no hydrogen 2.940 N/A SER 197.A N GLU 194.A O no hydrogen 3.147 N/A SER 197.A OG TRP 193.A O no hydrogen 2.712 N/A PHE 198.A N ILE 195.A O no hydrogen 3.057 N/A GLY 199.A N GLU 194.A O no hydrogen 2.829 N/A LYS 200.A N SER 197.A O no hydrogen 3.439 N/A LEU 206.A N PHE 203.A O no hydrogen 2.958 N/A GLU 207.A N ASP 210.A OD2 no hydrogen 2.956 N/A LYS 209.A NZ GLU 207.A OE1 no hydrogen 2.438 N/A ASP 210.A N GLU 207.A O no hydrogen 2.804 N/A VAL 211.A N ASN 208.A O no hydrogen 3.149 N/A VAL 214.A N ASP 210.A O no hydrogen 3.317 N/A LEU 215.A N VAL 211.A O no hydrogen 3.015 N/A GLU 216.A N ILE 212.A O no hydrogen 2.957 N/A LYS 217.A N GLY 213.A O no hydrogen 3.255 N/A LYS 217.A NZ ASP 219.A OD2 no hydrogen 3.157 N/A GLY 218.A N LEU 215.A O no hydrogen 3.033 N/A ASP 219.A N VAL 214.A O no hydrogen 3.201 N/A ARG 220.A NE TRP 239.A O no hydrogen 2.960 N/A ARG 220.A NH1 LEU 215.A O no hydrogen 2.912 N/A ARG 220.A NH1 ASP 219.A O no hydrogen 2.891 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.946 N/A LYS 223.A NZ.B PRO 224.A O no hydrogen 3.160 N/A LYS 223.A NZ.B CYS 227.A O no hydrogen 2.735 N/A CYS 227.A N PRO 224.A O no hydrogen 3.014 N/A CYS 227.A SG PRO 228.A O no hydrogen 3.401 N/A LEU 231.A N PRO 228.A O no hydrogen 2.841 N/A TYR 232.A N PRO 228.A O no hydrogen 3.163 N/A TYR 232.A OH LEU 221.A O no hydrogen 2.604 N/A THR 233.A N PRO 229.A O no hydrogen 3.018 N/A THR 233.A OG1 PRO 229.A O no hydrogen 3.326 N/A LEU 234.A N VAL 230.A O no hydrogen 3.074 N/A MET 235.A N LEU 231.A O no hydrogen 2.903 N/A THR 236.A N TYR 232.A O no hydrogen 2.855 N/A THR 236.A OG1 THR 233.A O no hydrogen 2.813 N/A ARG 237.A N.A THR 233.A O no hydrogen 3.045 N/A ARG 237.A N.B THR 233.A O no hydrogen 3.058 N/A ARG 237.A N.B LEU 234.A O no hydrogen 3.156 N/A ARG 237.A NH2.A ASP 245.A O no hydrogen 3.331 N/A CYS 238.A N LEU 234.A O no hydrogen 3.108 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.430 N/A TRP 239.A N MET 235.A O no hydrogen 3.036 N/A TRP 239.A N THR 236.A O no hydrogen 3.189 N/A ASP 240.A N ARG 237.A O.A no hydrogen 3.404 N/A ASP 240.A N ARG 237.A O.B no hydrogen 3.199 N/A ASP 242.A N ASP 240.A OD1 no hydrogen 2.922 N/A SER 244.A N.A ASP 242.A OD1 no hydrogen 2.994 N/A SER 244.A N.B ASP 242.A OD1 no hydrogen 3.007 N/A SER 244.A OG.A ASP 242.A OD1 no hydrogen 3.555 N/A SER 244.A OG.B ASP 242.A OD1 no hydrogen 2.520 N/A ASP 245.A N ASP 242.A O no hydrogen 3.021 N/A ARG 246.A N PRO 243.A O no hydrogen 3.248 N/A ARG 246.A NE ASP 240.A O no hydrogen 2.808 N/A ARG 246.A NH1 GLU 172.A OE1 no hydrogen 2.895 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 3.566 N/A ARG 246.A NH1 ASP 240.A O no hydrogen 3.053 N/A ARG 246.A NH2 GLU 172.A OE2 no hydrogen 2.757 N/A ARG 246.A NH2 ALA 182.A O no hydrogen 3.010 N/A ARG 248.A N.A GLU 251.A OE1 no hydrogen 2.977 N/A ARG 248.A N.B GLU 251.A OE1 no hydrogen 2.988 N/A PHE 249.A N GLU 127.A OE2 no hydrogen 2.844 N/A THR 250.A N GLU 127.A OE1 no hydrogen 3.195 N/A LEU 252.A N ARG 248.A O.A no hydrogen 3.035 N/A LEU 252.A N ARG 248.A O.B no hydrogen 3.045 N/A VAL 253.A N PHE 249.A O no hydrogen 2.875 N/A CYS 254.A N THR 250.A O no hydrogen 3.375 N/A CYS 254.A SG THR 250.A O no hydrogen 3.598 N/A SER 255.A N GLU 251.A O no hydrogen 2.919 N/A SER 255.A OG GLU 251.A O no hydrogen 3.190 N/A LEU 256.A N LEU 252.A O no hydrogen 2.804 N/A SER 257.A N VAL 253.A O no hydrogen 2.915 N/A SER 257.A OG VAL 253.A O no hydrogen 2.838 N/A ASP 258.A N CYS 254.A O no hydrogen 3.059 N/A VAL 259.A N SER 255.A O no hydrogen 3.025 N/A TYR 260.A N LEU 256.A O no hydrogen 2.846 N/A GLN 261.A N SER 257.A O no hydrogen 2.972 N/A MET 262.A N ASP 258.A O no hydrogen 2.914 N/A GLU 263.A N VAL 259.A O no hydrogen 2.778 N/A LYS 264.A N TYR 260.A O no hydrogen 2.999 N/A ASP 265.A N GLN 261.A O no hydrogen 3.108 N/A ILE 266.A N MET 262.A O no hydrogen 2.849 N/A ALA 267.A N GLU 263.A O no hydrogen 3.025 N/A MET 268.A N ASP 265.A O no hydrogen 3.118 N/A GLU 269.A N ILE 266.A O no hydrogen 3.234 N/A