Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1je1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N GLU 73.A OE2 no hydrogen 3.218 N/A HIS 3.A N GLU 73.A OE1 no hydrogen 2.933 N/A HIS 3.A ND1 GLU 73.A OE2 no hydrogen 2.738 N/A ILE 4.A N GLU 73.A OE1 no hydrogen 2.764 N/A LEU 5.A N ASN 38.A OD1 no hydrogen 2.849 N/A LYS 7.A N GLU 10.A OE1 no hydrogen 2.715 N/A GLU 10.A N LYS 7.A O no hydrogen 2.878 N/A ALA 12.A N SER 56.A OG no hydrogen 3.054 N/A ARG 14.A NE LEU 230.A O no hydrogen 3.020 N/A VAL 15.A N VAL 81.A O no hydrogen 2.883 N/A LEU 16.A N SER 56.A O no hydrogen 2.879 N/A VAL 17.A N ILE 83.A O no hydrogen 3.021 N/A VAL 18.A N ALA 58.A O no hydrogen 2.806 N/A GLY 22.A N ASP 20.A OD1 no hydrogen 2.863 N/A ARG 23.A N ASP 20.A O no hydrogen 2.907 N/A ALA 24.A N ASP 20.A O no hydrogen 3.184 N/A ARG 25.A N PRO 21.A O no hydrogen 3.079 N/A LEU 26.A N GLY 22.A O no hydrogen 3.016 N/A LEU 27.A N ARG 23.A O no hydrogen 2.777 N/A SER 28.A N ALA 24.A O no hydrogen 3.027 N/A SER 28.A OG ARG 25.A O no hydrogen 2.709 N/A THR 29.A N LEU 26.A O no hydrogen 3.321 N/A THR 29.A OG1 LEU 26.A O no hydrogen 2.737 N/A LEU 30.A N LEU 27.A O no hydrogen 3.055 N/A LEU 31.A N SER 28.A O no hydrogen 3.107 N/A GLN 32.A N LYS 49.A O no hydrogen 2.824 N/A LYS 35.A N THR 47.A O no hydrogen 2.977 N/A THR 37.A N VAL 45.A O no hydrogen 2.802 N/A THR 37.A OG1 VAL 45.A O no hydrogen 3.204 N/A ASN 38.A ND2 ASN 40.A O no hydrogen 3.682 N/A ASN 38.A ND2 PHE 43.A O no hydrogen 2.713 N/A ASN 40.A N ASN 38.A OD1 no hydrogen 3.402 N/A ASN 40.A ND2 HIS 3.A O no hydrogen 2.738 N/A GLY 42.A N GLU 39.A O no hydrogen 2.900 N/A PHE 43.A N ASN 40.A O no hydrogen 3.100 N/A LEU 44.A N GLY 42.A O no hydrogen 3.031 N/A VAL 45.A N ASN 38.A O no hydrogen 2.996 N/A TYR 46.A N ILE 57.A O no hydrogen 2.884 N/A THR 47.A N LYS 35.A O no hydrogen 2.909 N/A THR 47.A OG1 GLU 10.A O no hydrogen 2.641 N/A THR 47.A OG1 SER 56.A OG no hydrogen 2.714 N/A GLY 48.A N VAL 55.A O no hydrogen 2.964 N/A LYS 49.A N GLN 32.A O no hydrogen 3.116 N/A LYS 49.A NZ THR 54.A OG1 no hydrogen 3.391 N/A TYR 50.A N GLU 53.A O no hydrogen 2.808 N/A TYR 50.A OH ASP 228.A OD1 no hydrogen 3.085 N/A ASN 51.A ND2 THR 231.A OG1 no hydrogen 3.376 N/A GLU 53.A N TYR 50.A O no hydrogen 2.971 N/A VAL 55.A N GLY 48.A O no hydrogen 2.847 N/A SER 56.A N ARG 14.A O no hydrogen 3.137 N/A SER 56.A OG THR 47.A OG1 no hydrogen 2.714 N/A ILE 57.A N TYR 46.A O no hydrogen 2.810 N/A ALA 58.A N LEU 16.A O no hydrogen 2.952 N/A THR 59.A N LEU 44.A O no hydrogen 3.046 N/A THR 59.A OG1 LEU 44.A O no hydrogen 2.916 N/A HIS 60.A N VAL 18.A O no hydrogen 2.704 N/A HIS 60.A ND1 GLY 61.A O no hydrogen 2.721 N/A GLY 61.A N GLY 19.A O no hydrogen 3.237 N/A GLY 63.A N GLU 180.A OE2 no hydrogen 2.837 N/A SER 66.A OG HIS 60.A O no hydrogen 2.788 N/A ILE 67.A N GLY 63.A O no hydrogen 3.090 N/A ALA 68.A N GLY 64.A O no hydrogen 2.894 N/A ILE 69.A N PRO 65.A O no hydrogen 3.353 N/A VAL 70.A N SER 66.A O no hydrogen 3.165 N/A LEU 71.A N ILE 67.A O no hydrogen 2.896 N/A GLU 72.A N ALA 68.A O no hydrogen 3.032 N/A GLU 73.A N ILE 69.A O no hydrogen 3.061 N/A LEU 74.A N VAL 70.A O no hydrogen 2.884 N/A ALA 75.A N LEU 71.A O no hydrogen 2.899 N/A MET 76.A N GLU 72.A O no hydrogen 3.035 N/A LEU 77.A N GLU 73.A O no hydrogen 3.110 N/A LEU 77.A N LEU 74.A O no hydrogen 2.993 N/A GLY 78.A N ALA 75.A O no hydrogen 3.085 N/A ALA 79.A N LEU 74.A O no hydrogen 3.053 N/A ASN 80.A N GLU 13.A O no hydrogen 3.064 N/A VAL 81.A N GLU 13.A O no hydrogen 3.094 N/A PHE 82.A N LYS 194.A O no hydrogen 2.879 N/A ILE 83.A N VAL 15.A O no hydrogen 3.025 N/A ARG 84.A N ALA 196.A O no hydrogen 2.985 N/A ARG 84.A NE GLU 178.A OE1 no hydrogen 3.235 N/A ARG 84.A NH2 GLU 178.A OE1 no hydrogen 3.014 N/A TYR 85.A N VAL 17.A O no hydrogen 2.973 N/A TYR 85.A OH VAL 219.A O no hydrogen 2.606 N/A GLY 86.A N VAL 198.A O no hydrogen 3.192 N/A THR 88.A N VAL 200.A O no hydrogen 2.924 N/A THR 88.A OG1 VAL 177.A O no hydrogen 2.702 N/A GLY 89.A N VAL 177.A O no hydrogen 3.156 N/A ALA 90.A N ASP 203.A O no hydrogen 2.825 N/A LEU 91.A N ILE 175.A O no hydrogen 2.889 N/A ASN 96.A N GLU 99.A OE1 no hydrogen 2.891 N/A ASN 96.A ND2 GLU 99.A OE2 no hydrogen 3.240 N/A GLY 98.A N VAL 201.A O no hydrogen 2.842 N/A GLU 99.A N ASN 96.A O no hydrogen 3.207 N/A TYR 100.A N LYS 146.A O no hydrogen 3.014 N/A TYR 100.A OH SER 218.A O no hydrogen 2.566 N/A TYR 100.A OH SER 218.A OG no hydrogen 3.332 N/A ILE 101.A N LEU 199.A O no hydrogen 2.944 N/A ILE 102.A N TYR 148.A O no hydrogen 2.760 N/A VAL 103.A N THR 197.A O no hydrogen 3.110 N/A THR 104.A N GLY 150.A O no hydrogen 3.083 N/A THR 104.A OG1 ASN 151.A OD1 no hydrogen 2.839 N/A ALA 106.A N SER 126.A O no hydrogen 3.005 N/A SER 107.A N VAL 152.A O no hydrogen 2.773 N/A SER 107.A OG ASN 174.A OD1 no hydrogen 2.916 N/A TYR 108.A OH VAL 124.A O no hydrogen 3.320 N/A TYR 115.A N GLY 111.A O no hydrogen 3.040 N/A GLN 116.A N GLY 112.A O no hydrogen 2.999 N/A TYR 117.A N LEU 113.A O no hydrogen 3.077 N/A TYR 117.A OH GLU 72.A OE2 no hydrogen 2.603 N/A LEU 118.A N PHE 114.A O no hydrogen 2.833 N/A ARG 119.A N TYR 115.A O no hydrogen 2.743 N/A ALA 122.A N ASP 120.A OD2 no hydrogen 3.061 N/A VAL 124.A N ALA 122.A O no hydrogen 3.174 N/A SER 126.A OG ALA 182.A O no hydrogen 3.066 N/A SER 126.A OG THR 186.A OG1 no hydrogen 3.154 N/A ASP 129.A N SER 195.A O no hydrogen 2.779 N/A LEU 132.A N ASP 129.A OD2 no hydrogen 3.044 N/A THR 133.A N ASP 129.A O no hydrogen 3.112 N/A THR 133.A OG1 ASP 129.A O no hydrogen 2.851 N/A ASN 134.A N PHE 130.A O no hydrogen 3.145 N/A LYS 135.A N GLU 131.A O no hydrogen 3.011 N/A LEU 136.A N LEU 132.A O no hydrogen 3.117 N/A VAL 137.A N THR 133.A O no hydrogen 3.196 N/A THR 138.A N ASN 134.A O no hydrogen 3.063 N/A THR 138.A OG1 ASN 134.A O no hydrogen 3.284 N/A SER 139.A N LYS 135.A O no hydrogen 2.912 N/A SER 139.A OG LYS 135.A O no hydrogen 3.269 N/A SER 139.A OG THR 229.A OG1 no hydrogen 2.812 N/A PHE 140.A N LEU 136.A O no hydrogen 2.899 N/A SER 141.A N VAL 137.A O no hydrogen 3.063 N/A LYS 142.A N THR 138.A O no hydrogen 2.987 N/A ARG 143.A N SER 139.A O no hydrogen 3.262 N/A ARG 143.A NE ASP 228.A OD2 no hydrogen 2.755 N/A ARG 143.A NH2 ASP 228.A OD2 no hydrogen 2.794 N/A ASN 144.A N SER 141.A O no hydrogen 2.994 N/A LEU 145.A N PHE 140.A O no hydrogen 3.022 N/A TYR 148.A N TYR 100.A O no hydrogen 2.894 N/A TYR 148.A OH GLU 99.A OE1 no hydrogen 2.748 N/A GLY 150.A N ILE 102.A O no hydrogen 3.218 N/A VAL 152.A N GLY 105.A O no hydrogen 3.010 N/A PHE 153.A N ALA 176.A O no hydrogen 3.037 N/A SER 154.A N SER 107.A O no hydrogen 2.959 N/A SER 154.A OG GLU 178.A OE2 no hydrogen 2.629 N/A SER 155.A N GLU 178.A O no hydrogen 2.791 N/A SER 155.A OG GLU 161.A OE2 no hydrogen 3.007 N/A ALA 157.A N SER 155.A OG no hydrogen 3.190 N/A ALA 160.A N ALA 157.A O no hydrogen 3.114 N/A PHE 165.A N ASP 162.A OD1 no hydrogen 2.824 N/A VAL 166.A N ASP 162.A O no hydrogen 3.210 N/A LYS 167.A N GLU 163.A O no hydrogen 3.334 N/A LYS 168.A N GLU 164.A O no hydrogen 3.073 N/A TRP 169.A N PHE 165.A O no hydrogen 3.099 N/A SER 170.A N VAL 166.A O no hydrogen 3.058 N/A SER 170.A OG VAL 166.A O no hydrogen 2.937 N/A SER 170.A OG LYS 167.A O no hydrogen 3.233 N/A SER 171.A N LYS 167.A O no hydrogen 3.022 N/A SER 171.A OG LYS 167.A O no hydrogen 3.181 N/A SER 171.A OG LYS 168.A O no hydrogen 2.723 N/A ARG 172.A N TRP 169.A O no hydrogen 3.029 N/A GLY 173.A N SER 170.A O no hydrogen 3.277 N/A ASN 174.A N TRP 169.A O no hydrogen 3.249 N/A ASN 174.A ND2 TRP 169.A O no hydrogen 3.317 N/A ILE 175.A N ASN 151.A O no hydrogen 2.906 N/A VAL 177.A N GLY 89.A O no hydrogen 2.863 N/A GLU 178.A N PHE 153.A O no hydrogen 3.081 N/A GLU 180.A N GLU 178.A OE1 no hydrogen 2.797 N/A CYS 181.A N GLU 178.A OE1 no hydrogen 3.066 N/A CYS 181.A N GLU 178.A OE2 no hydrogen 2.938 N/A CYS 181.A SG THR 197.A OG1 no hydrogen 3.577 N/A ALA 182.A N SER 154.A OG no hydrogen 2.938 N/A LEU 184.A N GLU 180.A O no hydrogen 3.047 N/A PHE 185.A N CYS 181.A O no hydrogen 2.848 N/A THR 186.A N ALA 182.A O no hydrogen 3.087 N/A THR 186.A OG1 SER 126.A OG no hydrogen 3.154 N/A THR 186.A OG1 ALA 182.A O no hydrogen 3.145 N/A LEU 187.A N THR 183.A O no hydrogen 3.045 N/A SER 188.A N LEU 184.A O no hydrogen 3.032 N/A SER 188.A OG LEU 184.A O no hydrogen 2.615 N/A SER 188.A OG SER 195.A OG no hydrogen 2.615 N/A LYS 189.A N PHE 185.A O no hydrogen 2.980 N/A VAL 190.A N THR 186.A O no hydrogen 3.078 N/A LYS 191.A N LEU 187.A O no hydrogen 2.770 N/A TRP 193.A N SER 188.A O no hydrogen 2.899 N/A LYS 194.A N ASN 80.A O no hydrogen 2.972 N/A LYS 194.A NZ ASP 129.A OD1 no hydrogen 2.898 N/A SER 195.A OG SER 188.A OG no hydrogen 2.615 N/A ALA 196.A N PHE 82.A O no hydrogen 3.084 N/A VAL 198.A N ARG 84.A O no hydrogen 2.991 N/A LEU 199.A N ILE 101.A O no hydrogen 2.863 N/A VAL 200.A N GLY 86.A O no hydrogen 2.739 N/A VAL 201.A N GLU 99.A O no hydrogen 3.020 N/A SER 202.A N THR 88.A O no hydrogen 3.043 N/A SER 202.A OG THR 88.A O no hydrogen 3.483 N/A ASN 204.A N ASP 203.A OD2 no hydrogen 2.817 N/A ASN 204.A ND2 VAL 92.A O no hydrogen 2.971 N/A ASN 204.A ND2 ILE 95.A O no hydrogen 2.823 N/A LEU 205.A N ALA 90.A O no hydrogen 2.840 N/A ALA 206.A N ASN 204.A OD1 no hydrogen 2.925 N/A LYS 207.A N ASN 204.A OD1 no hydrogen 2.863 N/A THR 211.A N GLU 214.A OE1 no hydrogen 3.401 N/A THR 211.A OG1 GLU 214.A OE1 no hydrogen 3.117 N/A GLU 216.A N LYS 212.A O no hydrogen 2.785 N/A LYS 217.A N GLU 213.A O no hydrogen 3.268 N/A SER 218.A N GLU 214.A O no hydrogen 3.112 N/A SER 218.A OG GLY 98.A O no hydrogen 2.655 N/A SER 218.A OG TYR 100.A OH no hydrogen 3.332 N/A VAL 219.A N LEU 215.A O no hydrogen 2.939 N/A MET 220.A N GLU 216.A O no hydrogen 2.906 N/A ASP 221.A N LYS 217.A O no hydrogen 2.851 N/A GLY 222.A N SER 218.A O no hydrogen 3.034 N/A ALA 223.A N VAL 219.A O no hydrogen 2.980 N/A LYS 224.A N MET 220.A O no hydrogen 3.236 N/A ALA 225.A N ASP 221.A O no hydrogen 3.418 N/A VAL 226.A N GLY 222.A O no hydrogen 2.976 N/A LEU 227.A N ALA 223.A O no hydrogen 2.885 N/A ASP 228.A N LYS 224.A O no hydrogen 2.951 N/A THR 229.A N ALA 225.A O no hydrogen 3.134 N/A THR 229.A OG1 SER 139.A OG no hydrogen 2.812 N/A THR 229.A OG1 ALA 225.A O no hydrogen 3.022 N/A LEU 230.A N VAL 226.A O no hydrogen 2.873 N/A THR 231.A N LEU 227.A O no hydrogen 3.120 N/A THR 231.A OG1 LEU 227.A O no hydrogen 2.841 N/A THR 231.A OG1 ASP 228.A O no hydrogen 3.420 N/A SER 232.A N THR 229.A O no hydrogen 3.220 N/A SER 232.A OG THR 229.A O no hydrogen 2.721 N/A