Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASP 179.A OD1 no hydrogen 2.739 N/A SER 3.A OG ASP 179.A OD1 no hydrogen 3.176 N/A SER 3.A OG ASP 179.A OD2 no hydrogen 2.784 N/A GLU 5.A N LYS 1.A O no hydrogen 3.258 N/A CYS 6.A N PHE 2.A O no hydrogen 3.023 N/A CYS 6.A SG PHE 2.A O no hydrogen 3.275 N/A ARG 7.A N SER 3.A O no hydrogen 2.952 N/A ARG 7.A NE GLU 140.A OE2 no hydrogen 3.274 N/A ARG 7.A NH1 GLU 140.A OE1 no hydrogen 3.027 N/A SER 8.A N GLU 4.A O no hydrogen 3.006 N/A SER 8.A OG GLU 4.A O no hydrogen 3.489 N/A ALA 9.A N GLU 5.A O no hydrogen 3.023 N/A ALA 10.A N CYS 6.A O no hydrogen 3.066 N/A ALA 10.A N ARG 7.A O no hydrogen 3.258 N/A ALA 11.A N SER 8.A O no hydrogen 3.131 N/A TRP 13.A N ALA 10.A O no hydrogen 2.946 N/A TRP 14.A N ALA 10.A O no hydrogen 3.149 N/A TRP 14.A N ALA 11.A O no hydrogen 3.042 N/A TRP 14.A NE1 SER 201.A OG no hydrogen 2.909 N/A GLU 15.A N ALA 11.A O no hydrogen 2.689 N/A GLY 16.A N GLU 12.A O no hydrogen 3.074 N/A SER 17.A N TRP 14.A O no hydrogen 3.061 N/A SER 17.A OG TRP 13.A O no hydrogen 2.688 N/A PHE 18.A N TRP 14.A O no hydrogen 3.368 N/A HIS 20.A N SER 17.A O no hydrogen 3.003 N/A PHE 22.A N HIS 20.A ND1 no hydrogen 2.975 N/A GLN 24.A N HIS 20.A O no hydrogen 2.939 N/A GLY 25.A N PRO 21.A O no hydrogen 2.933 N/A ILE 26.A N PHE 22.A O no hydrogen 3.232 N/A ILE 26.A N VAL 23.A O no hydrogen 3.207 N/A GLY 27.A N VAL 23.A O no hydrogen 3.224 N/A ASP 28.A N GLN 24.A O no hydrogen 3.105 N/A THR 30.A N ASP 28.A OD2 no hydrogen 2.830 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 2.564 N/A LEU 31.A N GLY 25.A O no hydrogen 3.246 N/A ARG 35.A N PRO 32.A O no hydrogen 2.823 N/A LYS 37.A N ILE 33.A O no hydrogen 2.835 N/A LYS 37.A NZ GLU 93.A O no hydrogen 2.572 N/A LYS 37.A NZ GLU 98.A OE2 no hydrogen 2.812 N/A TYR 38.A N ASP 34.A O no hydrogen 3.104 N/A TYR 38.A OH GLU 215.A O no hydrogen 2.558 N/A TYR 39.A N ARG 35.A O no hydrogen 2.967 N/A TYR 39.A OH TYR 138.A OH no hydrogen 2.821 N/A VAL 40.A N PHE 36.A O no hydrogen 2.892 N/A LEU 41.A N LYS 37.A O no hydrogen 3.225 N/A GLN 42.A N TYR 38.A O no hydrogen 3.147 N/A GLN 42.A NE2 LYS 103.A O no hydrogen 3.096 N/A ASP 43.A N TYR 39.A O no hydrogen 2.678 N/A SER 44.A N VAL 40.A O no hydrogen 2.960 N/A SER 44.A N LEU 41.A O no hydrogen 3.051 N/A TYR 45.A N LEU 41.A O no hydrogen 3.160 N/A TYR 46.A N GLN 42.A O no hydrogen 3.083 N/A TYR 46.A OH TYR 111.A OH no hydrogen 3.166 N/A LEU 47.A N ASP 43.A O no hydrogen 2.927 N/A THR 48.A N SER 44.A O no hydrogen 3.099 N/A THR 48.A OG1 SER 44.A O no hydrogen 3.255 N/A HIS 49.A N TYR 45.A O no hydrogen 3.386 N/A HIS 49.A ND1 TYR 45.A O no hydrogen 3.097 N/A PHE 50.A N TYR 46.A O no hydrogen 2.798 N/A ALA 51.A N LEU 47.A O no hydrogen 2.804 N/A LYS 52.A N THR 48.A O no hydrogen 3.225 N/A VAL 53.A N HIS 49.A O no hydrogen 2.913 N/A GLN 54.A N PHE 50.A O no hydrogen 2.870 N/A GLN 54.A NE2 HIS 73.A O no hydrogen 3.370 N/A GLN 54.A NE2 THR 77.A OG1 no hydrogen 2.860 N/A SER 55.A N ALA 51.A O no hydrogen 3.010 N/A SER 55.A OG ALA 51.A O no hydrogen 2.993 N/A PHE 56.A N LYS 52.A O no hydrogen 2.961 N/A GLY 57.A N VAL 53.A O no hydrogen 2.988 N/A ALA 58.A N GLN 54.A O no hydrogen 3.170 N/A ALA 59.A N SER 55.A O no hydrogen 2.960 N/A TYR 60.A N PHE 56.A O no hydrogen 2.960 N/A ALA 61.A N ALA 58.A O no hydrogen 3.194 N/A THR 66.A N ASP 63.A OD2 no hydrogen 2.692 N/A THR 66.A OG1 ASP 63.A OD1 no hydrogen 2.938 N/A THR 66.A OG1 ASP 63.A OD2 no hydrogen 2.520 N/A THR 67.A N ASP 63.A O no hydrogen 2.992 N/A THR 67.A OG1 ALA 58.A O no hydrogen 3.019 N/A THR 67.A OG1 ASP 63.A O no hydrogen 3.456 N/A GLY 68.A N LEU 64.A O no hydrogen 2.951 N/A ARG 69.A N TYR 65.A O no hydrogen 2.808 N/A ARG 69.A NH1 GLU 173.A OE1 no hydrogen 2.913 N/A MET 70.A N THR 66.A O no hydrogen 2.708 N/A ALA 71.A N THR 67.A O no hydrogen 2.762 N/A SER 72.A N GLY 68.A O no hydrogen 2.790 N/A HIS 73.A N ARG 69.A O no hydrogen 3.149 N/A HIS 73.A ND1 TYR 135.A OH no hydrogen 3.218 N/A HIS 73.A NE2 GLU 173.A OE2 no hydrogen 2.879 N/A ALA 74.A N MET 70.A O no hydrogen 3.057 N/A ALA 74.A N ALA 71.A O no hydrogen 2.960 N/A GLN 75.A N ALA 71.A O no hydrogen 3.086 N/A GLN 75.A NE2 GLU 79.A OE2 no hydrogen 3.542 N/A GLY 76.A N SER 72.A O no hydrogen 2.764 N/A THR 77.A N HIS 73.A O no hydrogen 3.051 N/A THR 77.A OG1 HIS 73.A O no hydrogen 3.212 N/A TYR 78.A N GLN 75.A O no hydrogen 2.900 N/A GLU 79.A N GLN 75.A O no hydrogen 2.990 N/A ALA 80.A N GLY 76.A O no hydrogen 2.776 N/A GLU 81.A N THR 77.A O no hydrogen 3.295 N/A MET 82.A N TYR 78.A O no hydrogen 3.129 N/A ALA 83.A N GLU 79.A O no hydrogen 2.855 N/A LEU 84.A N ALA 80.A O no hydrogen 3.410 N/A HIS 85.A N MET 82.A O no hydrogen 2.936 N/A PHE 88.A N LEU 84.A O no hydrogen 3.066 N/A ALA 89.A N HIS 85.A O no hydrogen 2.932 N/A GLU 90.A N ARG 86.A O no hydrogen 2.971 N/A LEU 91.A N GLU 87.A O no hydrogen 2.849 N/A LEU 92.A N PHE 88.A O no hydrogen 2.888 N/A ILE 94.A N LEU 92.A O no hydrogen 2.689 N/A SER 95.A N GLU 98.A OE2 no hydrogen 2.809 N/A LYS 100.A N GLU 96.A O no hydrogen 3.211 N/A SER 105.A N GLN 42.A OE1 no hydrogen 2.737 N/A SER 105.A OG GLN 42.A OE1 no hydrogen 3.057 N/A SER 105.A OG GLU 215.A OE1 no hydrogen 3.525 N/A THR 107.A N GLU 215.A OE1 no hydrogen 3.129 N/A THR 107.A OG1 GLU 215.A OE1 no hydrogen 2.691 N/A THR 107.A OG1 GLU 215.A OE2 no hydrogen 3.136 N/A ALA 108.A N SER 105.A OG no hydrogen 3.143 N/A TYR 109.A N SER 105.A O no hydrogen 2.892 N/A SER 110.A N PRO 106.A O no hydrogen 2.688 N/A SER 110.A OG PRO 106.A O no hydrogen 3.068 N/A TYR 111.A N THR 107.A O no hydrogen 2.889 N/A TYR 111.A OH GLU 204.A OE1 no hydrogen 2.515 N/A THR 112.A N ALA 108.A O no hydrogen 3.201 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.847 N/A THR 112.A OG1 TYR 109.A O no hydrogen 3.096 N/A SER 113.A N TYR 109.A O no hydrogen 2.906 N/A SER 113.A OG TYR 109.A O no hydrogen 3.173 N/A HIS 114.A N SER 110.A O no hydrogen 3.102 N/A MET 115.A N TYR 111.A O no hydrogen 3.120 N/A TYR 116.A N THR 112.A O no hydrogen 3.007 N/A ARG 117.A N SER 113.A O no hydrogen 2.816 N/A SER 118.A N HIS 114.A O no hydrogen 3.201 N/A SER 118.A N MET 115.A O no hydrogen 3.254 N/A SER 118.A OG MET 115.A O no hydrogen 2.598 N/A VAL 119.A N TYR 116.A O no hydrogen 3.109 N/A SER 121.A N SER 118.A O no hydrogen 3.086 N/A SER 121.A OG SER 118.A O no hydrogen 2.704 N/A SER 121.A OG GLU 126.A OE1 no hydrogen 3.363 N/A GLY 122.A N VAL 119.A O no hydrogen 2.715 N/A ASN 123.A N SER 121.A OG no hydrogen 3.269 N/A GLU 126.A N ASN 123.A O no hydrogen 2.873 N/A ILE 127.A N ASN 123.A O no hydrogen 3.134 N/A LEU 128.A N PHE 124.A O no hydrogen 2.856 N/A ALA 129.A N ALA 125.A O no hydrogen 2.988 N/A ALA 130.A N ILE 127.A O no hydrogen 3.142 N/A LEU 131.A N ILE 127.A O no hydrogen 3.217 N/A LEU 131.A N LEU 128.A O no hydrogen 3.050 N/A LEU 132.A N LEU 128.A O no hydrogen 2.900 N/A CYS 134.A SG TYR 46.A OH no hydrogen 3.406 N/A TYR 135.A N LEU 132.A O no hydrogen 2.907 N/A TYR 135.A OH HIS 73.A ND1 no hydrogen 3.218 N/A TRP 136.A N LEU 132.A O no hydrogen 2.963 N/A LEU 137.A N PRO 133.A O no hydrogen 2.680 N/A TYR 138.A OH TYR 39.A OH no hydrogen 2.821 N/A TYR 139.A N TYR 135.A O no hydrogen 3.129 N/A TYR 139.A OH GLU 143.A OE2 no hydrogen 3.008 N/A GLU 140.A N TRP 136.A O no hydrogen 3.005 N/A VAL 141.A N LEU 137.A O no hydrogen 3.015 N/A GLY 142.A N TYR 138.A O no hydrogen 2.970 N/A GLU 143.A N TYR 139.A O no hydrogen 2.730 N/A LYS 144.A N GLU 140.A O no hydrogen 3.153 N/A LEU 145.A N VAL 141.A O no hydrogen 3.099 N/A LEU 145.A N GLY 142.A O no hydrogen 3.097 N/A LEU 146.A N GLU 143.A O no hydrogen 3.255 N/A HIS 147.A N HIS 147.A ND1 no hydrogen 2.807 N/A CYS 148.A N LEU 145.A O no hydrogen 2.860 N/A TYR 155.A OH LEU 31.A O no hydrogen 2.733 N/A GLN 156.A N HIS 152.A O no hydrogen 3.089 N/A LYS 157.A N PRO 153.A O no hydrogen 2.765 N/A TRP 158.A N ILE 154.A O no hydrogen 2.971 N/A TRP 158.A NE1 TYR 39.A OH no hydrogen 3.115 N/A ILE 159.A N TYR 155.A O no hydrogen 2.878 N/A GLY 160.A N GLN 156.A O no hydrogen 2.698 N/A THR 161.A N LYS 157.A O no hydrogen 2.973 N/A THR 161.A OG1 LYS 157.A O no hydrogen 3.040 N/A TYR 162.A N TRP 158.A O no hydrogen 3.375 N/A GLY 163.A N ILE 159.A O no hydrogen 2.976 N/A GLY 164.A N THR 161.A O no hydrogen 3.236 N/A ARG 168.A N GLY 164.A O no hydrogen 3.338 N/A GLN 169.A N ASP 165.A O no hydrogen 2.983 N/A GLN 170.A N TRP 166.A O no hydrogen 3.389 N/A GLN 170.A NE2 HIS 73.A NE2 no hydrogen 3.129 N/A VAL 171.A N PHE 167.A O no hydrogen 2.877 N/A GLU 172.A N ARG 168.A O no hydrogen 3.064 N/A GLU 173.A N GLN 169.A O no hydrogen 2.895 N/A GLN 174.A N GLN 170.A O no hydrogen 3.135 N/A GLN 174.A NE2 TYR 135.A OH no hydrogen 3.137 N/A ILE 175.A N VAL 171.A O no hydrogen 2.849 N/A ASN 176.A N GLU 172.A O no hydrogen 2.974 N/A ARG 177.A N GLU 173.A O no hydrogen 3.006 N/A ARG 177.A NH1 GLU 173.A OE1 no hydrogen 3.260 N/A ARG 177.A NH1 GLN 174.A OE1 no hydrogen 2.779 N/A ARG 177.A NH2 GLU 173.A OE1 no hydrogen 2.866 N/A PHE 178.A N GLN 174.A O no hydrogen 3.142 N/A ASP 179.A N ILE 175.A O no hydrogen 3.155 N/A GLU 180.A N ASN 176.A O no hydrogen 2.961 N/A LEU 181.A N ARG 177.A O no hydrogen 2.998 N/A ALA 182.A N PHE 178.A O no hydrogen 2.908 N/A GLU 183.A N ASP 179.A O no hydrogen 3.041 N/A ASN 184.A N LEU 181.A O no hydrogen 3.054 N/A ASN 184.A ND2 GLU 180.A O no hydrogen 3.550 N/A SER 185.A N ALA 182.A O no hydrogen 3.362 N/A SER 185.A OG LEU 181.A O no hydrogen 2.625 N/A VAL 189.A N THR 186.A OG1 no hydrogen 3.042 N/A ARG 190.A N THR 186.A O no hydrogen 2.738 N/A ARG 190.A NE ALA 182.A O no hydrogen 3.156 N/A ALA 191.A N GLU 187.A O no hydrogen 2.915 N/A LYS 192.A N GLU 188.A O no hydrogen 3.009 N/A MET 193.A N VAL 189.A O no hydrogen 2.805 N/A LYS 194.A N ARG 190.A O no hydrogen 2.995 N/A LYS 194.A NZ GLU 5.A OE2 no hydrogen 3.223 N/A GLU 195.A N ALA 191.A O no hydrogen 2.964 N/A ASN 196.A N LYS 192.A O no hydrogen 3.050 N/A PHE 197.A N MET 193.A O no hydrogen 2.846 N/A VAL 198.A N LYS 194.A O no hydrogen 2.869 N/A ILE 199.A N GLU 195.A O no hydrogen 2.866 N/A SER 200.A N ASN 196.A O no hydrogen 2.940 N/A SER 200.A OG HIS 114.A NE2 no hydrogen 2.949 N/A SER 200.A OG ALA 130.A O no hydrogen 2.720 N/A SER 200.A OG ASN 196.A O no hydrogen 3.176 N/A SER 201.A N PHE 197.A O no hydrogen 3.042 N/A SER 201.A OG PHE 197.A O no hydrogen 2.852 N/A TYR 202.A N VAL 198.A O no hydrogen 2.907 N/A TYR 203.A N ILE 199.A O no hydrogen 2.884 N/A GLU 204.A N SER 200.A O no hydrogen 2.834 N/A TYR 205.A N SER 201.A O no hydrogen 3.071 N/A GLN 206.A N TYR 202.A O no hydrogen 3.016 N/A PHE 207.A N TYR 203.A O no hydrogen 2.845 N/A TRP 208.A N GLU 204.A O no hydrogen 3.293 N/A TRP 208.A NE1 SER 17.A OG no hydrogen 2.977 N/A GLY 209.A N TYR 205.A O no hydrogen 3.471 N/A MET 210.A N GLN 206.A O no hydrogen 2.687 N/A ALA 211.A N PHE 207.A O no hydrogen 3.017 N/A TYR 212.A N TRP 208.A O no hydrogen 3.022 N/A ARG 213.A N GLY 209.A O no hydrogen 3.188 N/A ARG 213.A NH1 GLU 215.A OE2 no hydrogen 3.529 N/A LYS 214.A N ALA 211.A O no hydrogen 3.361 N/A LYS 214.A NZ ASP 34.A OD1 no hydrogen 3.463 N/A GLU 215.A N MET 210.A O no hydrogen 3.005 N/A GLY 216.A N ASP 219.A OD2 no hydrogen 3.317 N/A TRP 217.A NE1 PRO 104.A O no hydrogen 2.926 N/A