Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1key_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 5.A OE2 no hydrogen 2.731 N/A SER 2.A OG GLU 5.A OE2 no hydrogen 2.970 N/A GLU 5.A N SER 2.A OG no hydrogen 3.075 N/A ILE 6.A N SER 2.A O no hydrogen 2.889 N/A PHE 7.A N VAL 3.A O no hydrogen 2.883 N/A VAL 8.A N SER 4.A O no hydrogen 2.898 N/A GLU 9.A N GLU 5.A O no hydrogen 2.960 N/A LEU 10.A N ILE 6.A O no hydrogen 2.951 N/A GLN 11.A N PHE 7.A O no hydrogen 2.866 N/A GLN 11.A N VAL 8.A O no hydrogen 3.158 N/A GLY 12.A N VAL 8.A O no hydrogen 3.322 N/A PHE 13.A N GLU 9.A O no hydrogen 3.307 N/A LEU 14.A N LEU 10.A O no hydrogen 2.876 N/A ALA 15.A N GLN 11.A O no hydrogen 2.993 N/A ALA 16.A N GLY 12.A O no hydrogen 2.885 N/A GLU 17.A N PHE 13.A O no hydrogen 3.005 N/A GLN 18.A N LEU 14.A O no hydrogen 2.870 N/A ASP 19.A N ALA 15.A O no hydrogen 3.081 N/A ILE 20.A N ALA 16.A O no hydrogen 3.393 N/A ARG 21.A N GLU 17.A O no hydrogen 3.013 N/A ARG 21.A NH1 HIS 84.A NE2 no hydrogen 2.927 N/A GLU 22.A N GLN 18.A O no hydrogen 3.101 N/A GLU 22.A N ASP 19.A O no hydrogen 2.923 N/A GLU 23.A N ASP 19.A O no hydrogen 2.877 N/A ILE 24.A N ILE 20.A O no hydrogen 2.914 N/A ARG 25.A N ARG 21.A O no hydrogen 2.982 N/A ARG 25.A NE GLU 22.A OE1 no hydrogen 3.387 N/A LYS 26.A N GLU 22.A O no hydrogen 2.889 N/A LYS 26.A NZ GLU 23.A OE1 no hydrogen 2.968 N/A VAL 27.A N GLU 23.A O no hydrogen 3.169 N/A VAL 28.A N ILE 24.A O no hydrogen 2.877 N/A GLN 29.A N ARG 25.A O no hydrogen 2.955 N/A SER 30.A N VAL 27.A O no hydrogen 2.526 N/A LEU 31.A N VAL 27.A O no hydrogen 2.902 N/A GLU 32.A N VAL 28.A O no hydrogen 2.990 N/A THR 34.A N SER 30.A O no hydrogen 3.031 N/A THR 34.A OG1 SER 30.A O no hydrogen 3.447 N/A ALA 35.A N LEU 31.A O no hydrogen 2.799 N/A ARG 36.A N GLU 32.A O no hydrogen 3.020 N/A GLU 37.A N GLN 33.A O no hydrogen 3.071 N/A ILE 38.A N THR 34.A O no hydrogen 2.811 N/A LEU 39.A N ALA 35.A O no hydrogen 2.871 N/A THR 40.A N ARG 36.A O no hydrogen 3.014 N/A THR 40.A OG1 ARG 36.A O no hydrogen 3.358 N/A LEU 41.A N GLU 37.A O no hydrogen 3.095 N/A LEU 42.A N ILE 38.A O no hydrogen 3.036 N/A GLN 43.A N LEU 39.A O no hydrogen 2.606 N/A GLN 43.A NE2 GLU 144.A OE1 no hydrogen 3.192 N/A GLN 43.A NE2 GLU 144.A OE2 no hydrogen 2.867 N/A GLY 44.A N THR 40.A O no hydrogen 3.225 N/A VAL 45.A N LEU 42.A O no hydrogen 2.935 N/A HIS 46.A N GLN 43.A O no hydrogen 3.078 N/A HIS 46.A NE2 GLU 144.A OE2 no hydrogen 2.631 N/A ARG 51.A N ASP 47.A O no hydrogen 2.992 N/A ARG 51.A NH1 LEU 41.A O no hydrogen 2.678 N/A CYS 52.A N ILE 48.A O no hydrogen 2.712 N/A CYS 52.A SG ILE 48.A O no hydrogen 3.459 N/A CYS 52.A SG VAL 99.A O no hydrogen 3.931 N/A LEU 53.A N PRO 49.A O no hydrogen 2.928 N/A LYS 54.A N LYS 50.A O no hydrogen 2.871 N/A ALA 55.A N ARG 51.A O no hydrogen 2.991 N/A ARG 56.A N CYS 52.A O no hydrogen 2.811 N/A ARG 56.A NH1 GLU 103.A OE2 no hydrogen 2.349 N/A GLU 57.A N LEU 53.A O no hydrogen 2.781 N/A HIS 58.A N LYS 54.A O no hydrogen 2.970 N/A PHE 59.A N ALA 55.A O no hydrogen 2.989 N/A SER 60.A N GLU 57.A O no hydrogen 2.847 N/A SER 60.A OG GLU 57.A O no hydrogen 2.739 N/A THR 61.A N HIS 58.A O no hydrogen 2.977 N/A THR 61.A OG1 HIS 58.A O no hydrogen 3.142 N/A LYS 63.A N PHE 59.A O no hydrogen 3.031 N/A LYS 63.A NZ GLU 115.A O no hydrogen 2.867 N/A THR 64.A N SER 60.A O no hydrogen 3.276 N/A THR 64.A OG1 THR 61.A O no hydrogen 3.204 N/A HIS 65.A N THR 61.A O no hydrogen 2.833 N/A LEU 66.A N VAL 62.A O no hydrogen 2.798 N/A THR 67.A N LYS 63.A O no hydrogen 3.159 N/A THR 67.A OG1 LYS 63.A O no hydrogen 2.715 N/A THR 67.A OG1 THR 64.A O no hydrogen 2.792 N/A SER 68.A N THR 64.A O no hydrogen 2.956 N/A LEU 69.A N HIS 65.A O no hydrogen 2.905 N/A LYS 70.A NZ LYS 70.A O no hydrogen 2.783 N/A THR 71.A N SER 68.A O no hydrogen 2.955 N/A THR 71.A OG1 SER 68.A O no hydrogen 2.809 N/A LYS 72.A NZ SER 68.A O no hydrogen 3.212 N/A GLN 77.A N PRO 74.A O no hydrogen 2.664 N/A TYR 78.A N ALA 75.A O no hydrogen 3.126 N/A ARG 80.A N GLN 77.A O no hydrogen 3.242 N/A ARG 80.A NH1 GLU 17.A OE2 no hydrogen 3.167 N/A PHE 81.A N TYR 78.A O no hydrogen 3.118 N/A HIS 82.A NE2 ASP 133.A OD2 no hydrogen 2.779 N/A HIS 84.A N PHE 81.A O no hydrogen 3.198 N/A TRP 85.A N HIS 82.A O no hydrogen 2.832 N/A LEU 89.A N TRP 85.A O no hydrogen 2.756 N/A GLN 90.A N ARG 86.A O no hydrogen 2.909 N/A GLN 90.A NE2 ASP 133.A OD1 no hydrogen 2.999 N/A ARG 91.A N PHE 87.A O no hydrogen 3.114 N/A LEU 92.A N VAL 88.A O no hydrogen 2.885 N/A VAL 93.A N LEU 89.A O no hydrogen 3.030 N/A PHE 94.A N GLN 90.A O no hydrogen 3.261 N/A LEU 95.A N ARG 91.A O no hydrogen 2.692 N/A ALA 96.A N LEU 92.A O no hydrogen 2.927 N/A ALA 97.A N VAL 93.A O no hydrogen 2.792 N/A PHE 98.A N PHE 94.A O no hydrogen 2.712 N/A VAL 99.A N LEU 95.A O no hydrogen 2.928 N/A VAL 100.A N ALA 96.A O no hydrogen 2.957 N/A TYR 101.A N ALA 97.A O no hydrogen 2.825 N/A LEU 102.A N PHE 98.A O no hydrogen 2.901 N/A GLU 103.A N VAL 99.A O no hydrogen 2.959 N/A GLU 103.A N VAL 100.A O no hydrogen 3.239 N/A THR 104.A N VAL 100.A O no hydrogen 2.858 N/A THR 104.A OG1 VAL 100.A O no hydrogen 2.959 N/A THR 104.A OG1 THR 106.A OG1 no hydrogen 2.472 N/A GLU 105.A N TYR 101.A O no hydrogen 2.618 N/A THR 106.A OG1 THR 104.A OG1 no hydrogen 2.472 N/A ARG 110.A NH1 ASP 122.A OD2 no hydrogen 3.110 N/A ARG 110.A NH1 LEU 129.A O no hydrogen 3.078 N/A ARG 110.A NH2 ASP 122.A OD2 no hydrogen 3.540 N/A ALA 112.A N THR 109.A O no hydrogen 3.100 N/A VAL 113.A N THR 109.A O no hydrogen 3.133 N/A THR 114.A N ARG 110.A O no hydrogen 3.240 N/A THR 114.A OG1 GLU 111.A O no hydrogen 2.576 N/A GLU 115.A N GLU 111.A O no hydrogen 3.417 N/A ILE 116.A N ALA 112.A O no hydrogen 3.030 N/A LEU 117.A N VAL 113.A O no hydrogen 2.915 N/A GLY 118.A N GLU 115.A O no hydrogen 3.257 N/A GLU 124.A N PRO 121.A O no hydrogen 3.251 N/A GLU 132.A N ASP 130.A OD1 no hydrogen 3.314 N/A TYR 134.A N ASP 130.A O no hydrogen 3.320 N/A TYR 134.A OH VAL 108.A O no hydrogen 2.511 N/A LEU 135.A N VAL 131.A O no hydrogen 3.063 N/A SER 136.A N GLU 132.A O no hydrogen 2.975 N/A SER 136.A OG GLU 132.A O no hydrogen 3.075 N/A GLY 137.A N ASP 133.A O no hydrogen 2.848 N/A VAL 138.A N TYR 134.A O no hydrogen 2.949 N/A LEU 139.A N LEU 135.A O no hydrogen 3.081 N/A ILE 140.A N SER 136.A O no hydrogen 2.980 N/A LEU 141.A N GLY 137.A O no hydrogen 2.955 N/A ALA 142.A N VAL 138.A O no hydrogen 3.094 N/A SER 143.A N LEU 139.A O no hydrogen 3.251 N/A GLU 144.A N ILE 140.A O no hydrogen 2.979 N/A LEU 145.A N LEU 141.A O no hydrogen 2.667 N/A SER 146.A N ALA 142.A O no hydrogen 2.930 N/A SER 146.A OG SER 143.A O no hydrogen 3.017 N/A SER 146.A OG ASP 195.A OD1 no hydrogen 2.864 N/A ARG 147.A N SER 143.A O no hydrogen 3.146 N/A LEU 148.A N GLU 144.A O no hydrogen 2.843 N/A SER 149.A N LEU 145.A O no hydrogen 3.051 N/A SER 149.A OG SER 146.A O no hydrogen 2.499 N/A VAL 150.A N SER 146.A O no hydrogen 3.455 N/A ASN 151.A N ARG 147.A O no hydrogen 3.161 N/A SER 152.A N LEU 148.A O no hydrogen 2.773 N/A SER 152.A OG LEU 148.A O no hydrogen 2.975 N/A VAL 153.A N SER 149.A O no hydrogen 3.388 N/A VAL 153.A N VAL 150.A O no hydrogen 3.122 N/A ALA 155.A N SER 152.A O no hydrogen 3.141 N/A GLY 156.A N VAL 153.A O no hydrogen 3.123 N/A ASP 157.A N SER 152.A O no hydrogen 2.683 N/A SER 159.A N ASP 157.A OD1 no hydrogen 3.092 N/A ARG 160.A N ASP 157.A OD1 no hydrogen 3.388 N/A HIS 163.A N SER 159.A O no hydrogen 3.361 N/A HIS 163.A ND1 SER 159.A O no hydrogen 3.180 N/A ILE 164.A N ARG 160.A O no hydrogen 2.708 N/A SER 165.A N PRO 161.A O no hydrogen 2.773 N/A THR 166.A N LEU 162.A O no hydrogen 3.319 N/A THR 166.A OG1 LEU 162.A O no hydrogen 2.933 N/A PHE 167.A N HIS 163.A O no hydrogen 2.901 N/A ILE 168.A N ILE 164.A O no hydrogen 2.712 N/A ASN 169.A N SER 165.A O no hydrogen 2.859 N/A ASN 169.A ND2 SER 165.A O no hydrogen 3.188 N/A GLU 170.A N THR 166.A O no hydrogen 3.049 N/A LEU 171.A N PHE 167.A O no hydrogen 3.018 N/A ASP 172.A N ILE 168.A O no hydrogen 2.849 N/A SER 173.A N ASN 169.A O no hydrogen 2.973 N/A GLY 174.A N GLU 170.A O no hydrogen 2.714 N/A PHE 175.A N LEU 171.A O no hydrogen 2.814 N/A ARG 176.A N SER 173.A O no hydrogen 3.187 N/A LEU 177.A N GLY 174.A O no hydrogen 3.098 N/A LEU 178.A N PHE 175.A O no hydrogen 3.317 N/A ARG 186.A N ASN 182.A O no hydrogen 2.976 N/A LYS 187.A N ASP 183.A O no hydrogen 3.015 N/A ARG 188.A N SER 184.A O no hydrogen 3.081 N/A ARG 188.A N LEU 185.A O no hydrogen 2.973 N/A ARG 188.A NH1 GLN 90.A OE1 no hydrogen 3.263 N/A TYR 189.A N LEU 185.A O no hydrogen 2.779 N/A ASP 190.A N ARG 186.A O no hydrogen 3.036 N/A GLY 191.A N ARG 188.A O no hydrogen 2.682 N/A LEU 192.A N TYR 189.A O no hydrogen 2.847 N/A TYR 194.A N GLY 191.A O no hydrogen 3.033 N/A ASP 195.A N GLY 191.A O no hydrogen 3.365 N/A VAL 196.A N LEU 192.A O no hydrogen 2.708 N/A LYS 197.A N LYS 193.A O no hydrogen 3.002 N/A LYS 198.A N TYR 194.A O no hydrogen 2.844 N/A LYS 198.A NZ SER 146.A OG no hydrogen 3.339 N/A VAL 199.A N ASP 195.A O no hydrogen 3.023 N/A GLU 200.A N VAL 196.A O no hydrogen 3.054 N/A GLU 201.A N LYS 197.A O no hydrogen 3.130 N/A VAL 202.A N LYS 198.A O no hydrogen 3.011 N/A VAL 203.A N VAL 199.A O no hydrogen 2.959 N/A TYR 204.A N GLU 200.A O no hydrogen 2.826 N/A ASP 205.A N GLU 201.A O no hydrogen 2.701 N/A LEU 206.A N VAL 202.A O no hydrogen 3.110 N/A SER 207.A N VAL 203.A O no hydrogen 2.881 N/A ILE 208.A N TYR 204.A O no hydrogen 3.055 N/A ARG 209.A N ASP 205.A O no hydrogen 3.131 N/A ARG 209.A NE ASP 205.A O no hydrogen 3.106 N/A ARG 209.A NH2 ASP 205.A O no hydrogen 3.420 N/A GLY 210.A N LEU 206.A O no hydrogen 2.748 N/A GLY 210.A N SER 207.A O no hydrogen 3.282 N/A