Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ieh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N SER 2.A OG no hydrogen 3.213 N/A GLU 5.A N SER 2.A O no hydrogen 3.019 N/A SER 6.A OG ARG 110.A O no hydrogen 2.617 N/A PHE 7.A N GLY 111.A O no hydrogen 2.804 N/A TRP 9.A N SER 18.A OG no hydrogen 2.948 N/A SER 11.A N CYS 16.A O no hydrogen 2.956 N/A SER 11.A OG ASP 248.A OD1 no hydrogen 2.636 N/A ASP 12.A N ASP 248.A OD2 no hydrogen 2.859 N/A PHE 14.A N SER 11.A OG no hydrogen 2.965 N/A CYS 16.A N SER 11.A O no hydrogen 3.187 N/A CYS 16.A SG PHE 14.A O no hydrogen 3.871 N/A CYS 16.A SG GLU 17.A O no hydrogen 3.528 N/A SER 18.A N TRP 9.A O no hydrogen 2.886 N/A SER 18.A OG TRP 9.A O no hydrogen 3.516 N/A THR 19.A OG1 GLN 8.A OE1 no hydrogen 3.005 N/A ASP 20.A N GLU 17.A O no hydrogen 3.044 N/A ASN 23.A N ASP 20.A OD1 no hydrogen 3.115 N/A PHE 24.A N ASP 20.A O no hydrogen 2.961 N/A TYR 25.A N ILE 21.A O no hydrogen 2.976 N/A LEU 26.A N ASP 22.A O no hydrogen 3.109 N/A LEU 27.A N ASN 23.A O no hydrogen 3.099 N/A LEU 28.A N PHE 24.A O no hydrogen 2.863 N/A GLU 29.A N TYR 25.A O no hydrogen 2.799 N/A GLN 30.A N LEU 26.A O no hydrogen 3.122 N/A GLU 31.A N LEU 27.A O no hydrogen 2.968 N/A THR 32.A OG1 GLU 29.A O no hydrogen 3.040 N/A ARG 33.A N GLN 30.A O no hydrogen 2.967 N/A ARG 33.A NE GLU 31.A OE1 no hydrogen 2.886 N/A ARG 33.A NH1 ALA 87.A O no hydrogen 2.722 N/A ARG 33.A NH2 GLU 31.A OE1 no hydrogen 2.529 N/A ARG 33.A NH2 ALA 87.A O no hydrogen 2.742 N/A LEU 34.A N GLU 31.A O no hydrogen 2.988 N/A GLY 35.A N THR 32.A O no hydrogen 3.376 N/A LYS 38.A N LEU 50.A O no hydrogen 2.721 N/A LEU 40.A N VAL 48.A O no hydrogen 2.890 N/A VAL 43.A N TYR 46.A O no hydrogen 2.857 N/A TYR 46.A N VAL 43.A O no hydrogen 2.992 N/A VAL 48.A N GLY 41.A O no hydrogen 2.838 N/A SER 49.A OG GLU 37.A OE2 no hydrogen 2.569 N/A SER 49.A OG ASN 39.A OD1 no hydrogen 3.445 N/A LEU 50.A N LYS 38.A O no hydrogen 2.878 N/A TYR 51.A N LEU 99.A O no hydrogen 2.762 N/A TYR 51.A OH GLU 37.A OE1 no hydrogen 3.205 N/A GLN 52.A N VAL 36.A O no hydrogen 2.745 N/A GLN 52.A NE2 SER 98.A OG no hydrogen 2.945 N/A SER 53.A N LEU 97.A O no hydrogen 2.863 N/A SER 53.A OG LEU 97.A O no hydrogen 3.206 N/A LYS 57.A N ASN 96.A OD1 no hydrogen 3.131 N/A LYS 57.A NZ GLU 93.A OE1 no hydrogen 2.796 N/A LYS 57.A NZ GLU 93.A OE2 no hydrogen 3.146 N/A LEU 60.A N LYS 57.A O no hydrogen 3.096 N/A SER 62.A N ASP 158.A OD2 no hydrogen 2.645 N/A LEU 63.A N ASN 96.A O no hydrogen 3.166 N/A LEU 64.A N GLY 159.A O no hydrogen 3.175 N/A ILE 65.A N SER 98.A O no hydrogen 3.179 N/A SER 66.A N LEU 161.A O no hydrogen 2.943 N/A SER 66.A OG THR 162.A OG1 no hydrogen 2.874 N/A ALA 67.A N LEU 100.A O no hydrogen 2.949 N/A HIS 70.A NE2 ASN 120.A OD1 no hydrogen 2.641 N/A GLY 71.A N ARG 113.A O no hydrogen 3.336 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.693 N/A GLU 73.A N HIS 70.A O no hydrogen 3.028 N/A ALA 75.A N GLU 165.A OE1 no hydrogen 2.954 N/A GLY 76.A N GLU 73.A O no hydrogen 3.339 N/A TRP 78.A N SER 74.A O no hydrogen 3.165 N/A TRP 78.A NE1 SER 18.A O no hydrogen 2.756 N/A GLY 79.A N ALA 75.A O no hydrogen 2.682 N/A LEU 80.A N GLY 76.A O no hydrogen 2.872 N/A LEU 81.A N PRO 77.A O no hydrogen 3.021 N/A HIS 82.A N TRP 78.A O no hydrogen 2.918 N/A HIS 82.A ND1 SER 255.A OG no hydrogen 2.878 N/A PHE 83.A N GLY 79.A O no hydrogen 3.033 N/A LEU 84.A N LEU 80.A O no hydrogen 2.966 N/A SER 85.A N LEU 81.A O no hydrogen 2.976 N/A SER 85.A OG HIS 82.A O no hydrogen 2.570 N/A GLU 86.A N HIS 82.A O no hydrogen 3.279 N/A GLU 86.A N PHE 83.A O no hydrogen 3.229 N/A ALA 87.A N LEU 84.A O no hydrogen 2.869 N/A ASP 90.A N SER 88.A OG no hydrogen 3.121 N/A LEU 91.A N SER 88.A O no hydrogen 2.849 N/A PHE 92.A N ALA 89.A O no hydrogen 2.964 N/A GLU 93.A N ASP 90.A O no hydrogen 3.095 N/A ARG 94.A N LEU 91.A O no hydrogen 2.933 N/A VAL 95.A N LEU 91.A O no hydrogen 3.211 N/A ASN 96.A N PRO 61.A O no hydrogen 3.022 N/A ASN 96.A ND2 LYS 57.A O no hydrogen 2.668 N/A SER 98.A N LEU 63.A O no hydrogen 2.946 N/A LEU 99.A N TYR 51.A O no hydrogen 2.653 N/A LEU 100.A N ILE 65.A O no hydrogen 2.940 N/A VAL 103.A N ALA 67.A O no hydrogen 3.276 N/A ASN 104.A N GLY 68.A O no hydrogen 2.863 N/A ASN 104.A ND2 PHE 69.A O no hydrogen 3.075 N/A THR 106.A OG1 ASN 104.A OD1 no hydrogen 3.551 N/A GLY 107.A N ASN 104.A OD1 no hydrogen 2.982 N/A PHE 108.A N ASN 104.A O no hydrogen 3.052 N/A SER 109.A N PRO 105.A O no hydrogen 2.948 N/A SER 109.A OG PRO 105.A O no hydrogen 3.512 N/A SER 109.A OG THR 106.A O no hydrogen 3.201 N/A ARG 110.A NH1 THR 106.A O no hydrogen 2.932 N/A GLY 111.A N PHE 108.A O no hydrogen 3.357 N/A HIS 112.A N GLY 107.A O no hydrogen 2.854 N/A HIS 112.A ND1 PHE 114.A O no hydrogen 2.759 N/A ARG 113.A NH1 GLU 72.A OE2 no hydrogen 2.602 N/A ARG 113.A NH1 GLU 73.A OE2 no hydrogen 2.912 N/A PHE 114.A N PRO 3.A O no hydrogen 3.159 N/A ASN 115.A N GLU 119.A O no hydrogen 3.113 N/A ASN 115.A ND2 GLU 119.A OE1 no hydrogen 2.764 N/A ASN 115.A ND2 GLU 141.A OE1 no hydrogen 3.134 N/A ASN 115.A ND2 GLU 141.A OE2 no hydrogen 3.157 N/A LYS 116.A N THR 106.A OG1 no hydrogen 2.944 N/A TYR 117.A N ASN 115.A OD1 no hydrogen 2.836 N/A GLY 118.A N ASN 115.A O no hydrogen 3.237 N/A GLU 119.A N ASN 115.A OD1 no hydrogen 3.013 N/A ASN 122.A N ASN 120.A OD1 no hydrogen 3.124 N/A ASN 122.A ND2 GLU 225.A OE2 no hydrogen 2.646 N/A ARG 123.A N ASN 120.A O no hydrogen 3.222 N/A PHE 125.A N THR 222.A O no hydrogen 2.910 N/A VAL 126.A N LYS 133.A O no hydrogen 2.996 N/A GLU 128.A N LYS 131.A O no hydrogen 2.808 N/A LYS 131.A N GLU 128.A O no hydrogen 3.011 N/A LYS 133.A N VAL 126.A O no hydrogen 2.743 N/A ASN 135.A N THR 138.A OG1 no hydrogen 2.873 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.733 N/A HIS 137.A N ASN 135.A OD1 no hydrogen 2.864 N/A THR 138.A N ASN 135.A O no hydrogen 3.300 N/A THR 138.A OG1 GLY 124.A O no hydrogen 2.691 N/A THR 138.A OG1 ASN 135.A O no hydrogen 3.148 N/A THR 138.A OG1 ASN 135.A OD1 no hydrogen 3.442 N/A SER 139.A OG GLU 141.A OE1 no hydrogen 2.543 N/A VAL 140.A N GLU 119.A OE1 no hydrogen 2.819 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.700 N/A GLY 142.A N SER 139.A OG no hydrogen 3.022 N/A LYS 143.A N SER 139.A O no hydrogen 2.950 N/A LEU 144.A N VAL 140.A O no hydrogen 3.041 N/A LEU 145.A N GLU 141.A O no hydrogen 2.871 N/A LEU 146.A N GLY 142.A O no hydrogen 2.738 N/A ASP 147.A N LYS 143.A O no hydrogen 2.845 N/A HIS 148.A N LEU 145.A O no hydrogen 3.046 N/A HIS 148.A ND1 LEU 144.A O no hydrogen 2.784 N/A ALA 149.A N LEU 146.A O no hydrogen 2.970 N/A LEU 152.A N HIS 148.A O no hydrogen 3.025 N/A ILE 153.A N ALA 149.A O no hydrogen 2.983 N/A ALA 154.A N GLN 150.A O no hydrogen 3.090 N/A ALA 155.A N LEU 151.A O no hydrogen 3.052 N/A CYS 156.A N ILE 153.A O no hydrogen 3.032 N/A CYS 156.A SG LEU 152.A O no hydrogen 3.255 N/A CYS 156.A SG ILE 153.A O no hydrogen 3.731 N/A ASP 158.A N SER 62.A O no hydrogen 3.116 N/A GLY 159.A N CYS 156.A O no hydrogen 2.947 N/A ILE 160.A N VAL 235.A O no hydrogen 2.963 N/A LEU 161.A N LEU 64.A O no hydrogen 2.903 N/A THR 162.A N ALA 237.A O no hydrogen 2.841 N/A THR 162.A OG1 SER 66.A O no hydrogen 3.478 N/A THR 162.A OG1 SER 66.A OG no hydrogen 2.874 N/A THR 162.A OG1 HIS 164.A NE2 no hydrogen 3.166 N/A CYS 163.A N SER 66.A O no hydrogen 2.893 N/A HIS 164.A N THR 239.A O no hydrogen 2.851 N/A GLU 165.A N GLU 73.A OE1 no hydrogen 3.091 N/A ASP 166.A N THR 241.A O no hydrogen 2.948 N/A LEU 168.A N ASP 166.A OD1 no hydrogen 2.951 N/A SER 169.A N ASP 166.A O no hydrogen 3.194 N/A SER 169.A OG GLU 171.A O no hydrogen 2.732 N/A GLU 171.A N SER 169.A OG no hydrogen 2.906 N/A ALA 172.A N PRO 199.A O no hydrogen 2.764 N/A TYR 173.A N GLU 240.A O no hydrogen 3.049 N/A TYR 173.A OH ASP 166.A OD2 no hydrogen 2.529 N/A VAL 174.A N GLY 214.A O no hydrogen 2.858 N/A TYR 175.A N CYS 238.A O no hydrogen 2.946 N/A SER 176.A N ILE 216.A O no hydrogen 2.796 N/A SER 176.A OG SER 187.A OG no hydrogen 2.591 N/A PHE 177.A N GLY 236.A O no hydrogen 2.779 N/A GLU 178.A N ASN 218.A OD1 no hydrogen 2.950 N/A SER 180.A N GLU 178.A O no hydrogen 2.717 N/A SER 180.A OG VAL 182.A O no hydrogen 2.637 N/A VAL 182.A N SER 180.A OG no hydrogen 3.108 N/A GLY 184.A N GLU 178.A OE2 no hydrogen 2.990 N/A SER 187.A N GLU 178.A OE2 no hydrogen 3.189 N/A SER 187.A OG SER 176.A OG no hydrogen 2.591 N/A SER 187.A OG GLU 178.A OE2 no hydrogen 2.470 N/A LEU 188.A N GLY 184.A O no hydrogen 2.993 N/A ASP 189.A N ARG 185.A O no hydrogen 2.786 N/A LEU 190.A N PHE 186.A O no hydrogen 3.318 N/A ARG 191.A N SER 187.A O no hydrogen 3.086 N/A ARG 191.A NE ASP 192.A OD1 no hydrogen 2.801 N/A ARG 191.A NH1 ASP 213.A O no hydrogen 2.847 N/A ARG 191.A NH2 ASP 192.A OD1 no hydrogen 3.031 N/A ASP 192.A N LEU 188.A O no hydrogen 2.985 N/A THR 193.A N ASP 189.A O no hydrogen 2.885 N/A THR 193.A OG1 ASP 189.A O no hydrogen 2.745 N/A LEU 194.A N LEU 190.A O no hydrogen 3.110 N/A GLY 195.A N ARG 191.A O no hydrogen 2.916 N/A GLY 196.A N THR 193.A O no hydrogen 3.090 N/A TYR 197.A N LEU 194.A O no hydrogen 2.848 N/A PHE 198.A N LEU 194.A O no hydrogen 2.890 N/A ALA 201.A N ALA 172.A O no hydrogen 2.842 N/A ILE 206.A N CYS 209.A O no hydrogen 2.655 N/A CYS 209.A N ILE 206.A O no hydrogen 2.983 N/A VAL 211.A N GLY 204.A O no hydrogen 3.099 N/A LYS 212.A N LEU 215.A O no hydrogen 3.059 N/A LYS 212.A NZ ASP 213.A OD2 no hydrogen 3.378 N/A ASP 213.A N VAL 202.A O no hydrogen 2.789 N/A GLY 214.A N ALA 201.A O no hydrogen 2.753 N/A LEU 215.A N LYS 212.A O no hydrogen 3.068 N/A ILE 216.A N VAL 174.A O no hydrogen 2.952 N/A ASN 218.A N SER 176.A O no hydrogen 2.798 N/A ASN 218.A ND2 GLU 178.A O no hydrogen 2.963 N/A SER 223.A N ASP 221.A OD1 no hydrogen 2.974 N/A SER 223.A OG ASP 221.A OD1 no hydrogen 2.648 N/A SER 223.A OG ASP 221.A OD2 no hydrogen 3.458 N/A SER 223.A OG GLU 225.A OE1 no hydrogen 2.982 N/A ALA 226.A N SER 223.A OG no hydrogen 3.227 N/A CYS 227.A N SER 223.A O no hydrogen 3.038 N/A CYS 227.A SG PHE 125.A O no hydrogen 3.764 N/A LEU 228.A N PHE 224.A O no hydrogen 2.999 N/A VAL 229.A N GLU 225.A O no hydrogen 2.879 N/A ARG 230.A N ALA 226.A O no hydrogen 2.872 N/A SER 231.A N CYS 227.A O no hydrogen 2.777 N/A SER 231.A OG CYS 227.A O no hydrogen 2.803 N/A GLY 232.A N VAL 229.A O no hydrogen 3.069 N/A ALA 233.A N LEU 228.A O no hydrogen 2.849 N/A ARG 234.A N ARG 157.A O no hydrogen 2.955 N/A ARG 234.A NH1 ARG 157.A O no hydrogen 3.391 N/A GLY 236.A N PHE 177.A O no hydrogen 3.178 N/A ALA 237.A N ILE 160.A O no hydrogen 2.896 N/A CYS 238.A N TYR 175.A O no hydrogen 2.707 N/A CYS 238.A SG THR 239.A O no hydrogen 4.022 N/A CYS 238.A SG GLU 240.A OE2 no hydrogen 3.581 N/A THR 239.A N THR 162.A O no hydrogen 3.092 N/A GLU 240.A N TYR 173.A O no hydrogen 2.739 N/A THR 241.A N HIS 164.A O no hydrogen 3.276 N/A THR 241.A OG1 GLU 165.A OE2 no hydrogen 2.775 N/A ALA 243.A N ASP 166.A O no hydrogen 2.879 N/A LEU 244.A N SER 169.A O no hydrogen 3.327 N/A GLN 245.A N PRO 242.A O no hydrogen 3.122 N/A GLN 245.A NE2 ARG 170.A O no hydrogen 2.834 N/A GLN 249.A N ASN 246.A OD1 no hydrogen 3.104 N/A ARG 250.A N ASN 246.A O no hydrogen 3.118 N/A ARG 250.A NE GLU 165.A OE2 no hydrogen 2.758 N/A ARG 250.A NH1 GLN 245.A O no hydrogen 2.959 N/A ARG 250.A NH2 GLU 165.A OE1 no hydrogen 2.992 N/A VAL 251.A N PHE 247.A O no hydrogen 2.941 N/A LEU 252.A N ASP 248.A O no hydrogen 2.938 N/A ALA 253.A N GLN 249.A O no hydrogen 2.801 N/A ASN 254.A N ARG 250.A O no hydrogen 2.817 N/A ASN 254.A ND2 THR 241.A OG1 no hydrogen 3.037 N/A ASN 254.A ND2 ARG 250.A O no hydrogen 2.741 N/A SER 255.A N VAL 251.A O no hydrogen 2.972 N/A SER 255.A OG HIS 82.A ND1 no hydrogen 2.878 N/A ALA 256.A N LEU 252.A O no hydrogen 2.898 N/A ALA 257.A N ALA 253.A O no hydrogen 2.941 N/A THR 258.A OG1 SER 255.A O no hydrogen 3.111 N/A HIS 259.A N ALA 256.A O no hydrogen 2.853 N/A HIS 259.A ND1 ALA 256.A O no hydrogen 2.945 N/A PHE 260.A N ALA 257.A O no hydrogen 2.806 N/A ALA 262.A N THR 258.A O no hydrogen 3.027 N/A LEU 263.A N HIS 259.A O no hydrogen 2.782 N/A CYS 264.A N PHE 260.A O no hydrogen 2.971 N/A CYS 264.A SG ASP 158.A O no hydrogen 4.010 N/A CYS 264.A SG PHE 260.A O no hydrogen 3.473 N/A ALA 265.A N ALA 262.A O no hydrogen 3.391 N/A