Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nn3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE LYS 202.A O no hydrogen 2.885 N/A ARG 2.A NH1 GLY 3.A O no hydrogen 3.006 N/A ARG 2.A NH1 ASP 125.A OD2 no hydrogen 2.841 N/A ARG 2.A NH2 ASP 125.A OD1 no hydrogen 2.769 N/A ARG 2.A NH2 LYS 202.A O no hydrogen 2.946 N/A GLY 3.A N LEU 84.A O no hydrogen 2.907 N/A ALA 4.A N THR 89.A OG1 no hydrogen 3.012 N/A LEU 5.A N ASP 125.A OD2 no hydrogen 2.879 N/A ILE 6.A N LEU 90.A O no hydrogen 2.758 N/A VAL 7.A N LEU 126.A O no hydrogen 2.982 N/A LEU 8.A N VAL 92.A O no hydrogen 2.824 N/A GLU 9.A N LEU 128.A O no hydrogen 2.823 N/A VAL 11.A N.A LEU 130.A O no hydrogen 3.241 N/A ASP 12.A N.B GLN 154.A OE1 no hydrogen 3.124 N/A ARG 13.A NE.A ASP 12.A OD2.A no hydrogen 2.837 N/A ARG 13.A NH1.A ALA 137.A O.A no hydrogen 3.060 N/A ARG 13.A NH2.A ASP 12.A OD2.A no hydrogen 3.319 N/A ALA 14.A N VAL 11.A O.A no hydrogen 2.680 N/A LYS 16.A NZ GLY 10.A O.A no hydrogen 3.120 N/A LYS 16.A NZ GLY 10.A O.B no hydrogen 3.091 N/A LYS 16.A NZ VAL 11.A O.B no hydrogen 2.372 N/A SER 17.A OG ASP 93.A OD2 no hydrogen 2.552 N/A GLN 19.A N GLY 15.A O no hydrogen 2.783 N/A GLN 19.A NE2 ILE 181.A O no hydrogen 3.068 N/A SER 20.A N LYS 16.A O no hydrogen 2.837 N/A SER 20.A OG.A LYS 16.A O no hydrogen 2.691 N/A SER 20.A OG.B LYS 16.A O no hydrogen 2.930 N/A SER 20.A OG.B SER 17.A O no hydrogen 2.925 N/A ARG 21.A N SER 17.A O no hydrogen 3.055 N/A LYS 22.A N THR 18.A O no hydrogen 3.018 N/A LYS 22.A NZ GLU 182.A OE2 no hydrogen 2.961 N/A LEU 23.A N GLN 19.A O no hydrogen 2.841 N/A VAL 24.A N SER 20.A O no hydrogen 3.088 N/A GLU 25.A N ARG 21.A O no hydrogen 3.132 N/A ALA 26.A N LYS 22.A O no hydrogen 2.954 N/A LEU 27.A N LEU 23.A O no hydrogen 2.842 N/A CYS 28.A N VAL 24.A O no hydrogen 2.955 N/A CYS 28.A SG VAL 24.A O no hydrogen 3.418 N/A CYS 28.A SG HIS 32.A O no hydrogen 3.946 N/A CYS 28.A SG ALA 34.A O no hydrogen 3.315 N/A ALA 29.A N GLU 25.A O no hydrogen 2.976 N/A ALA 30.A N ALA 26.A O no hydrogen 3.104 N/A ALA 30.A N LEU 27.A O no hydrogen 3.084 N/A GLY 31.A N CYS 28.A O no hydrogen 3.067 N/A HIS 32.A N LEU 27.A O no hydrogen 3.019 N/A HIS 32.A NE2 GLU 193.A OE1 no hydrogen 2.923 N/A HIS 32.A NE2 GLU 193.A OE2 no hydrogen 3.086 N/A ARG 33.A NH1 GLN 86.A O no hydrogen 2.572 N/A ARG 33.A NH2 GLN 86.A O no hydrogen 3.288 N/A GLU 35.A N THR 89.A O no hydrogen 2.876 N/A LEU 37.A N VAL 91.A O no hydrogen 2.805 N/A ARG 38.A NH1 GLU 41.A OE1 no hydrogen 2.740 N/A PHE 39.A N ASP 93.A O no hydrogen 2.992 N/A GLU 41.A N ASN 72.A OD1 no hydrogen 2.820 N/A ARG 42.A NH1 SER 51.A OG no hydrogen 3.127 N/A ARG 42.A NH1 GLU 146.A OE2 no hydrogen 2.957 N/A ARG 42.A NH2 GLU 146.A OE1 no hydrogen 3.078 N/A ARG 42.A NH2 GLU 146.A OE2 no hydrogen 3.532 N/A SER 43.A N GLU 41.A OE2 no hydrogen 3.319 N/A SER 43.A OG GLU 41.A OE2 no hydrogen 2.526 N/A THR 44.A OG1 GLU 75.A OE1 no hydrogen 2.741 N/A GLY 47.A N THR 44.A OG1 no hydrogen 2.818 N/A LYS 48.A N THR 44.A O no hydrogen 2.718 N/A LYS 48.A NZ SER 43.A O no hydrogen 2.458 N/A LEU 49.A N GLU 45.A O no hydrogen 3.328 N/A LEU 50.A N ILE 46.A O no hydrogen 3.005 N/A SER 51.A N GLY 47.A O no hydrogen 2.831 N/A SER 52.A N LYS 48.A O no hydrogen 2.993 N/A SER 52.A OG SER 58.A OG no hydrogen 2.749 N/A TYR 53.A N LEU 49.A O no hydrogen 3.048 N/A TYR 53.A OH TYR 148.A OH no hydrogen 3.148 N/A LEU 54.A N LEU 50.A O no hydrogen 2.977 N/A GLN 55.A N SER 51.A O no hydrogen 2.945 N/A GLN 55.A NE2 SER 51.A O no hydrogen 3.278 N/A GLN 55.A NE2 SER 51.A OG no hydrogen 2.744 N/A LYS 56.A N TYR 53.A O no hydrogen 2.976 N/A LYS 56.A NZ HIS 145.A O no hydrogen 3.345 N/A LYS 57.A N SER 52.A O no hydrogen 2.975 N/A LYS 57.A NZ GLN 55.A OE1 no hydrogen 2.534 N/A SER 58.A OG SER 52.A OG no hydrogen 2.749 N/A HIS 63.A N GLU 61.A OE2 no hydrogen 2.780 N/A HIS 63.A ND1 GLU 61.A OE1 no hydrogen 2.727 N/A SER 64.A N GLU 61.A OE2 no hydrogen 2.916 N/A SER 64.A OG.B GLU 61.A OE2 no hydrogen 3.549 N/A VAL 65.A N GLU 61.A O no hydrogen 2.890 N/A HIS 66.A N ASP 62.A O no hydrogen 3.173 N/A HIS 66.A ND1 THR 103.A OG1 no hydrogen 2.754 N/A HIS 66.A NE2 CYS 114.A O no hydrogen 2.824 N/A LEU 67.A N HIS 63.A O no hydrogen 3.000 N/A LEU 68.A N SER 64.A O no hydrogen 2.934 N/A PHE 69.A N VAL 65.A O no hydrogen 2.919 N/A SER 70.A N HIS 66.A O no hydrogen 3.128 N/A SER 70.A OG ASP 118.A OD1 no hydrogen 2.723 N/A ALA 71.A N LEU 67.A O no hydrogen 2.789 N/A ASN 72.A N LEU 68.A O no hydrogen 2.855 N/A ASN 72.A ND2 GLU 41.A O no hydrogen 3.002 N/A ASN 72.A ND2 GLU 75.A OE1 no hydrogen 2.932 N/A ARG 73.A N SER 70.A O no hydrogen 2.933 N/A ARG 73.A NE ASP 118.A OD1 no hydrogen 2.960 N/A ARG 73.A NH2 ASP 118.A OD1 no hydrogen 3.392 N/A ARG 73.A NH2 ASP 118.A OD2 no hydrogen 2.861 N/A TRP 74.A N SER 70.A O no hydrogen 2.998 N/A TRP 74.A NE1 PRO 117.A O no hydrogen 2.829 N/A GLU 75.A N ALA 71.A O no hydrogen 2.923 N/A GLN 76.A N ARG 73.A O no hydrogen 2.941 N/A VAL 77.A N TRP 74.A O no hydrogen 2.961 N/A ILE 80.A N GLN 76.A O no hydrogen 2.880 N/A LYS 81.A N VAL 77.A O no hydrogen 2.861 N/A GLU 82.A N PRO 78.A O no hydrogen 2.939 N/A LYS 83.A N LEU 79.A O no hydrogen 2.835 N/A LYS 83.A NZ GLU 35.A OE1 no hydrogen 2.827 N/A LYS 83.A NZ GLU 35.A OE2 no hydrogen 3.211 N/A LEU 84.A N ILE 80.A O no hydrogen 3.034 N/A SER 85.A N LYS 81.A O no hydrogen 2.942 N/A SER 85.A OG LYS 81.A O no hydrogen 3.347 N/A SER 85.A OG GLU 82.A O no hydrogen 2.853 N/A GLN 86.A N GLU 82.A O no hydrogen 2.999 N/A GLN 86.A N LYS 83.A O no hydrogen 3.056 N/A GLY 87.A N LEU 84.A O no hydrogen 2.920 N/A VAL 88.A N LYS 83.A O no hydrogen 2.949 N/A THR 89.A N ARG 33.A O no hydrogen 2.886 N/A LEU 90.A N ALA 4.A O no hydrogen 2.900 N/A VAL 91.A N GLU 35.A O no hydrogen 2.898 N/A VAL 92.A N ILE 6.A O no hydrogen 2.787 N/A ASP 93.A N LEU 37.A O no hydrogen 2.964 N/A ARG 94.A N LEU 8.A O no hydrogen 2.967 N/A ARG 94.A NH1 SER 98.A OG no hydrogen 2.787 N/A ARG 94.A NH2 ASP 12.A OD1.B no hydrogen 2.857 N/A TYR 95.A N GLU 9.A OE1 no hydrogen 2.832 N/A TYR 95.A OH PRO 122.A O no hydrogen 2.710 N/A SER 98.A N GLU 9.A OE1 no hydrogen 2.991 N/A SER 98.A OG GLU 9.A OE2 no hydrogen 2.554 N/A GLY 99.A N TYR 95.A O no hydrogen 3.361 N/A VAL 100.A N ALA 96.A O no hydrogen 2.948 N/A ALA 101.A N PHE 97.A O no hydrogen 2.856 N/A PHE 102.A N SER 98.A O no hydrogen 2.969 N/A THR 103.A N GLY 99.A O no hydrogen 3.357 N/A THR 103.A OG1 HIS 66.A ND1 no hydrogen 2.754 N/A GLY 104.A N VAL 100.A O no hydrogen 2.809 N/A ALA 105.A N PHE 102.A O no hydrogen 3.324 N/A LYS 106.A N THR 103.A O no hydrogen 2.932 N/A LYS 106.A NZ TYR 53.A OH no hydrogen 3.057 N/A LYS 106.A NZ ASP 62.A OD2 no hydrogen 2.781 N/A LYS 106.A NZ TYR 148.A OH no hydrogen 2.862 N/A TRP 113.A N SER 110.A OG no hydrogen 3.033 N/A CYS 114.A N SER 110.A O no hydrogen 3.093 N/A CYS 114.A SG SER 110.A O no hydrogen 3.299 N/A LYS 115.A N LEU 111.A O no hydrogen 2.873 N/A GLN 116.A N ASP 112.A O no hydrogen 3.316 N/A GLN 116.A NE2 ASP 112.A O no hydrogen 3.084 N/A ASP 118.A N LYS 115.A O no hydrogen 3.003 N/A VAL 119.A N GLN 116.A O no hydrogen 3.012 N/A GLY 120.A N LEU 207.A O no hydrogen 2.823 N/A LEU 121.A N ASP 118.A O no hydrogen 3.094 N/A LYS 123.A N GLY 205.A O no hydrogen 2.900 N/A LYS 123.A NZ THR 169.A O no hydrogen 2.646 N/A ASP 125.A N LEU 5.A O no hydrogen 2.796 N/A VAL 127.A N ASN 171.A O no hydrogen 2.892 N/A LEU 128.A N VAL 7.A O no hydrogen 2.840 N/A PHE 129.A N LYS 173.A O no hydrogen 2.864 N/A LEU 130.A N GLU 9.A O no hydrogen 2.848 N/A GLN 131.A N VAL 175.A O no hydrogen 2.834 N/A ALA 137.A N.A GLN 133.A O.A no hydrogen 2.981 N/A ALA 137.A N.B GLN 133.A O.B no hydrogen 3.011 N/A ALA 138.A N.A LEU 134.A O.A no hydrogen 2.972 N/A ALA 138.A N.A ALA 135.A O.B no hydrogen 2.080 N/A ALA 138.A N.B LEU 134.A O.A no hydrogen 3.388 N/A ALA 138.A N.B LEU 134.A O.B no hydrogen 3.107 N/A ALA 138.A N.B ALA 135.A O.B no hydrogen 3.032 N/A ARG 140.A N.A ALA 137.A O.A no hydrogen 2.791 N/A ARG 140.A N.B ALA 137.A O.A no hydrogen 1.790 N/A ARG 140.A NH1.A ARG 13.A O.A no hydrogen 2.629 N/A ARG 140.A NH1.A ARG 13.A O.B no hydrogen 3.196 N/A ARG 140.A NH1.A ALA 14.A O no hydrogen 3.030 N/A ARG 140.A NH1.B ARG 13.A O.A no hydrogen 2.855 N/A ARG 140.A NH1.B ARG 13.A O.B no hydrogen 3.421 N/A ARG 140.A NH1.B ALA 14.A O no hydrogen 3.101 N/A ARG 140.A NH1.B ALA 177.A O no hydrogen 3.501 N/A ARG 140.A NH2.A ALA 177.A O no hydrogen 2.656 N/A ARG 140.A NH2.B ALA 177.A O no hydrogen 2.737 N/A GLY 141.A N LYS 139.A O.B no hydrogen 2.173 N/A GLU 146.A N GLU 149.A OE2 no hydrogen 2.854 N/A ARG 147.A N LEU 54.A O no hydrogen 2.808 N/A ARG 147.A NE TYR 53.A O no hydrogen 2.716 N/A ARG 147.A NH1 ASP 59.A OD1 no hydrogen 3.507 N/A ARG 147.A NH2 TYR 53.A O no hydrogen 3.262 N/A ARG 147.A NH2 ASP 59.A OD1 no hydrogen 3.060 N/A TYR 148.A OH TYR 53.A OH no hydrogen 3.148 N/A GLU 149.A N GLU 146.A O no hydrogen 3.250 N/A PHE 153.A N ASN 150.A OD1 no hydrogen 2.908 N/A GLN 154.A N ASN 150.A O no hydrogen 2.893 N/A GLN 154.A NE2 TYR 148.A O no hydrogen 2.908 N/A GLU 155.A N GLY 151.A O no hydrogen 3.014 N/A ARG 156.A N ALA 152.A O no hydrogen 3.308 N/A ARG 156.A NE ALA 105.A O no hydrogen 2.691 N/A ARG 156.A NH2 ALA 105.A O no hydrogen 3.554 N/A ALA 157.A N PHE 153.A O no hydrogen 2.945 N/A LEU 158.A N GLN 154.A O no hydrogen 2.761 N/A ARG 159.A N GLU 155.A O no hydrogen 3.101 N/A ARG 159.A NE GLU 155.A OE2 no hydrogen 2.548 N/A CYS 160.A N ARG 156.A O no hydrogen 3.191 N/A CYS 160.A SG ALA 101.A O no hydrogen 3.740 N/A CYS 160.A SG ARG 156.A O no hydrogen 3.530 N/A PHE 161.A N ALA 157.A O no hydrogen 2.882 N/A HIS 162.A N LEU 158.A O no hydrogen 3.006 N/A GLN 163.A N ARG 159.A O no hydrogen 3.062 N/A LEU 164.A N CYS 160.A O no hydrogen 3.032 N/A MET 165.A N PHE 161.A O no hydrogen 3.054 N/A LYS 166.A N GLN 163.A O no hydrogen 3.193 N/A LYS 166.A NZ GLN 163.A OE1 no hydrogen 2.972 N/A ASP 167.A N LEU 164.A O no hydrogen 3.169 N/A THR 169.A N ASP 167.A OD1 no hydrogen 2.860 N/A THR 169.A OG1 ASP 167.A OD1 no hydrogen 2.550 N/A LEU 170.A N ASP 167.A O no hydrogen 3.330 N/A ASN 171.A ND2 ASP 125.A O no hydrogen 2.897 N/A TRP 172.A N LEU 170.A O no hydrogen 3.070 N/A LYS 173.A N VAL 127.A O no hydrogen 2.869 N/A VAL 175.A N PHE 129.A O no hydrogen 2.882 N/A ALA 177.A N GLN 131.A O no hydrogen 2.930 N/A SER 178.A N ASP 176.A OD1 no hydrogen 3.041 N/A SER 178.A OG ASP 176.A OD1 no hydrogen 2.600 N/A LYS 179.A NZ ASP 187.A OD2 no hydrogen 2.938 N/A ALA 183.A N SER 180.A OG no hydrogen 2.937 N/A VAL 184.A N SER 180.A O no hydrogen 2.951 N/A HIS 185.A N ILE 181.A O no hydrogen 2.904 N/A GLU 186.A N GLU 182.A O no hydrogen 2.934 N/A ASP 187.A N ALA 183.A O no hydrogen 3.172 N/A ILE 188.A N VAL 184.A O no hydrogen 2.978 N/A ARG 189.A N HIS 185.A O no hydrogen 2.763 N/A ARG 189.A NE GLU 186.A OE1 no hydrogen 3.013 N/A ARG 189.A NH2 GLU 186.A OE1 no hydrogen 3.458 N/A ARG 189.A NH2 GLU 186.A OE2 no hydrogen 2.792 N/A VAL 190.A N GLU 186.A O no hydrogen 2.997 N/A LEU 191.A N ASP 187.A O no hydrogen 3.196 N/A SER 192.A N ILE 188.A O no hydrogen 2.923 N/A SER 192.A OG ILE 188.A O no hydrogen 2.806 N/A GLU 193.A N ARG 189.A O no hydrogen 2.883 N/A ASP 194.A N VAL 190.A O no hydrogen 3.130 N/A ALA 195.A N LEU 191.A O no hydrogen 3.039 N/A ILE 196.A N SER 192.A O no hydrogen 2.955 N/A ALA 197.A N.A GLU 193.A O no hydrogen 3.225 N/A ALA 197.A N.B GLU 193.A O no hydrogen 3.204 N/A THR 198.A N.A ASP 194.A O no hydrogen 3.195 N/A THR 198.A N.B ASP 194.A O no hydrogen 2.760 N/A THR 198.A OG1.A ASP 194.A O no hydrogen 3.110 N/A THR 198.A OG1.A ALA 195.A O no hydrogen 2.854 N/A THR 198.A OG1.B ASP 194.A O no hydrogen 2.946 N/A ALA 199.A N.A ALA 195.A O no hydrogen 2.845 N/A ALA 199.A N.B ALA 195.A O no hydrogen 2.967 N/A THR 200.A OG1.A ALA 197.A O.A no hydrogen 2.845 N/A THR 200.A OG1.B ILE 196.A O no hydrogen 2.480 N/A THR 200.A OG1.B ALA 197.A O.A no hydrogen 2.539 N/A GLU 201.A N.A THR 198.A O.A no hydrogen 2.980 N/A GLU 201.A N.B THR 198.A O.A no hydrogen 1.930 N/A LEU 207.A N LEU 121.A O no hydrogen 2.744 N/A LYS 209.A NZ GLU 206.A OE1 no hydrogen 3.412 N/A