Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pxk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N GLU 5.A OE2 no hydrogen 3.168 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.788 N/A GLY 6.A N GLY 3.A O no hydrogen 2.878 N/A TRP 8.A N GLU 5.A O no hydrogen 2.918 N/A LEU 9.A N GLU 5.A O no hydrogen 3.397 N/A TRP 10.A N GLY 6.A O no hydrogen 3.021 N/A LEU 11.A N ILE 7.A O no hydrogen 3.114 N/A GLY 12.A N TRP 8.A O no hydrogen 2.974 N/A THR 13.A N LEU 9.A O no hydrogen 2.992 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.710 N/A ALA 14.A N TRP 10.A O no hydrogen 2.896 N/A GLY 15.A N LEU 11.A O no hydrogen 2.617 N/A MET 16.A N GLY 12.A O no hydrogen 2.919 N/A PHE 17.A N THR 13.A O no hydrogen 3.078 N/A LEU 18.A N ALA 14.A O no hydrogen 2.960 N/A GLY 19.A N GLY 15.A O no hydrogen 2.941 N/A MET 20.A N MET 16.A O no hydrogen 2.950 N/A LEU 21.A N PHE 17.A O no hydrogen 2.976 N/A TYR 22.A N LEU 18.A O no hydrogen 2.924 N/A PHE 23.A N GLY 19.A O no hydrogen 2.944 N/A ILE 24.A N MET 20.A O no hydrogen 2.903 N/A ALA 25.A N LEU 21.A O no hydrogen 2.846 N/A ARG 26.A N TYR 22.A O no hydrogen 3.001 N/A GLY 27.A N PHE 23.A O no hydrogen 3.053 N/A TRP 28.A N ALA 25.A O no hydrogen 3.109 N/A GLU 30.A N GLY 27.A O no hydrogen 3.097 N/A ASP 32.A N GLU 30.A OE1 no hydrogen 2.843 N/A ARG 34.A NE LEU 232.A O no hydrogen 2.618 N/A ARG 34.A NH2 LEU 95.A O no hydrogen 2.986 N/A ARG 34.A NH2 LEU 232.A O no hydrogen 3.148 N/A ARG 35.A N ASP 32.A OD2 no hydrogen 2.993 N/A ARG 35.A NE.A GLU 30.A OE1 no hydrogen 3.368 N/A ARG 35.A NE.A GLU 30.A OE2 no hydrogen 2.918 N/A ARG 35.A NE.B ASP 233.A OD1 no hydrogen 2.876 N/A ARG 35.A NH1.A ASP 233.A OD1 no hydrogen 3.069 N/A ARG 35.A NH1.B GLU 30.A OE2 no hydrogen 2.759 N/A ARG 35.A NH2.A GLU 30.A OE1 no hydrogen 2.963 N/A ARG 35.A NH2.A GLU 30.A OE2 no hydrogen 3.284 N/A ARG 35.A NH2.B ASP 233.A OD1 no hydrogen 3.538 N/A ARG 35.A NH2.B ASP 233.A OD2 no hydrogen 3.442 N/A GLN 36.A N ASP 32.A O no hydrogen 3.067 N/A GLN 36.A NE2 GLU 30.A O no hydrogen 2.759 N/A TYR 39.A N GLN 36.A O no hydrogen 3.092 N/A ILE 40.A N GLN 36.A O no hydrogen 2.893 N/A ALA 41.A N LYS 37.A O no hydrogen 3.111 N/A THR 42.A N PHE 38.A O no hydrogen 3.218 N/A THR 42.A OG1 PHE 38.A O no hydrogen 2.660 N/A ILE 43.A N TYR 39.A O no hydrogen 2.882 N/A LEU 44.A N ILE 40.A O no hydrogen 2.878 N/A ILE 45.A N ALA 41.A O no hydrogen 2.848 N/A THR 46.A N THR 42.A O no hydrogen 3.276 N/A THR 46.A OG1 THR 42.A O no hydrogen 3.423 N/A THR 46.A OG1 ILE 43.A O no hydrogen 3.030 N/A ALA 47.A N ILE 43.A O no hydrogen 2.976 N/A ILE 48.A N LEU 44.A O no hydrogen 2.943 N/A ALA 49.A N ILE 45.A O no hydrogen 2.994 N/A PHE 50.A N THR 46.A O no hydrogen 2.784 N/A VAL 51.A N ALA 47.A O no hydrogen 2.987 N/A ASN 52.A N ILE 48.A O no hydrogen 3.133 N/A ASN 52.A ND2 ILE 48.A O no hydrogen 2.785 N/A TYR 53.A N ALA 49.A O no hydrogen 2.933 N/A TYR 53.A OH ASP 214.A OD2 no hydrogen 2.612 N/A LEU 54.A N PHE 50.A O no hydrogen 2.949 N/A ALA 55.A N VAL 51.A O no hydrogen 3.122 N/A MET 56.A N ASN 52.A O no hydrogen 3.074 N/A ALA 57.A N TYR 53.A O no hydrogen 2.865 N/A LEU 58.A N LEU 54.A O no hydrogen 2.945 N/A GLY 59.A N MET 56.A O no hydrogen 2.999 N/A GLY 61.A N ALA 55.A O no hydrogen 2.829 N/A THR 63.A N ILE 74.A O no hydrogen 2.833 N/A ILE 65.A N HIS 72.A O no hydrogen 3.016 N/A PHE 67.A N GLU 70.A O no hydrogen 3.378 N/A HIS 72.A N ILE 65.A O no hydrogen 2.825 N/A HIS 72.A NE2 PHE 67.A O no hydrogen 2.556 N/A ILE 74.A N THR 63.A O no hydrogen 2.687 N/A TYR 75.A OH GLU 5.A OE2 no hydrogen 2.667 N/A ALA 77.A N GLY 61.A O no hydrogen 3.385 N/A ARG 78.A N TYR 75.A O no hydrogen 3.444 N/A ARG 78.A NH1 TYR 53.A OH no hydrogen 3.409 N/A TYR 79.A N TRP 76.A O no hydrogen 3.089 N/A THR 80.A OG1 ASN 52.A OD1 no hydrogen 2.825 N/A THR 80.A OG1 ALA 77.A O no hydrogen 3.034 N/A ASP 81.A N ALA 77.A O no hydrogen 3.171 N/A TRP 82.A N ARG 78.A O no hydrogen 2.858 N/A LEU 83.A N TYR 79.A O no hydrogen 2.890 N/A PHE 84.A N ASP 81.A O no hydrogen 3.060 N/A THR 85.A N ASP 81.A O no hydrogen 3.099 N/A THR 85.A OG1 ASP 81.A O no hydrogen 3.058 N/A THR 85.A OG1 ASP 81.A OD1 no hydrogen 2.851 N/A THR 86.A N TRP 82.A O no hydrogen 3.175 N/A THR 86.A OG1 TRP 82.A O no hydrogen 2.633 N/A THR 86.A OG1 ASP 111.A OD1 no hydrogen 2.463 N/A THR 86.A OG1 ASP 111.A OD2 no hydrogen 3.156 N/A LEU 88.A N PHE 84.A O no hydrogen 3.428 N/A LEU 89.A N THR 85.A O no hydrogen 2.962 N/A LEU 90.A N THR 86.A O no hydrogen 3.190 N/A TYR 91.A N PRO 87.A O no hydrogen 3.012 N/A ASN 92.A N LEU 88.A O no hydrogen 3.156 N/A ASN 92.A ND2 THR 42.A OG1 no hydrogen 3.207 N/A LEU 93.A N LEU 89.A O no hydrogen 3.049 N/A GLY 94.A N LEU 90.A O no hydrogen 2.821 N/A LEU 95.A N TYR 91.A O no hydrogen 2.720 N/A LEU 96.A N ASN 92.A O no hydrogen 2.916 N/A ALA 97.A N LEU 93.A O no hydrogen 3.236 N/A ALA 97.A N GLY 94.A O no hydrogen 3.227 N/A GLY 98.A N LEU 95.A O no hydrogen 3.005 N/A ALA 99.A N GLY 94.A O no hydrogen 2.935 N/A THR 103.A N ASP 100.A OD1 no hydrogen 2.916 N/A THR 103.A OG1 ASP 100.A OD1 no hydrogen 2.668 N/A ILE 104.A N ASP 100.A O no hydrogen 3.236 N/A TYR 105.A N ARG 101.A O no hydrogen 2.751 N/A SER 106.A N ASN 102.A O no hydrogen 2.983 N/A SER 106.A OG ASN 102.A O no hydrogen 2.643 N/A LEU 107.A N THR 103.A O no hydrogen 2.967 N/A VAL 108.A N ILE 104.A O no hydrogen 2.949 N/A SER 109.A N TYR 105.A O no hydrogen 3.054 N/A SER 109.A OG TYR 105.A O no hydrogen 2.682 N/A LEU 110.A N SER 106.A O no hydrogen 3.217 N/A ASP 111.A N LEU 107.A O no hydrogen 2.928 N/A VAL 112.A N VAL 108.A O no hydrogen 2.884 N/A LEU 113.A N SER 109.A O no hydrogen 3.024 N/A MET 114.A N LEU 110.A O no hydrogen 2.860 N/A ILE 115.A N ASP 111.A O no hydrogen 2.989 N/A GLY 116.A N VAL 112.A O no hydrogen 2.813 N/A THR 117.A N LEU 113.A O no hydrogen 2.986 N/A THR 117.A OG1 LEU 113.A O no hydrogen 2.699 N/A THR 117.A OG1 MET 114.A O no hydrogen 3.207 N/A GLY 118.A N MET 114.A O no hydrogen 3.070 N/A VAL 119.A N ILE 115.A O no hydrogen 2.905 N/A VAL 120.A N GLY 116.A O no hydrogen 3.314 N/A ALA 121.A N THR 117.A O no hydrogen 3.077 N/A THR 122.A N GLY 118.A O no hydrogen 3.047 N/A THR 122.A OG1 TYR 79.A OH no hydrogen 2.827 N/A THR 122.A OG1 GLY 118.A O no hydrogen 2.839 N/A LEU 123.A N VAL 119.A O no hydrogen 2.982 N/A LEU 123.A N VAL 120.A O no hydrogen 3.157 N/A SER 124.A N VAL 120.A O no hydrogen 2.798 N/A SER 124.A OG VAL 120.A O no hydrogen 2.741 N/A SER 127.A N GLU 135.A OE1 no hydrogen 3.398 N/A SER 127.A N GLU 135.A OE2 no hydrogen 3.076 N/A SER 127.A OG GLU 135.A OE1 no hydrogen 2.642 N/A GLU 135.A N SER 131.A O no hydrogen 2.925 N/A ARG 136.A N ALA 132.A O no hydrogen 2.929 N/A ARG 136.A NE GLU 196.A O no hydrogen 3.093 N/A ARG 136.A NH1 THR 122.A O no hydrogen 3.132 N/A ARG 136.A NH1 GLU 196.A O no hydrogen 2.733 N/A ARG 136.A NH2 THR 122.A O no hydrogen 2.924 N/A ARG 136.A NH2 SER 124.A O no hydrogen 2.787 N/A LEU 137.A N GLY 133.A O no hydrogen 3.353 N/A VAL 138.A N ALA 134.A O no hydrogen 3.116 N/A TRP 139.A N GLU 135.A O no hydrogen 3.129 N/A TRP 140.A N ARG 136.A O no hydrogen 2.939 N/A TRP 140.A NE1 PRO 188.A O no hydrogen 2.903 N/A GLY 141.A N LEU 137.A O no hydrogen 2.843 N/A ILE 142.A N VAL 138.A O no hydrogen 2.903 N/A SER 143.A N TRP 139.A O no hydrogen 2.959 N/A SER 143.A OG MET 114.A O no hydrogen 2.870 N/A THR 144.A N TRP 140.A O no hydrogen 2.885 N/A THR 144.A OG1 TRP 140.A O no hydrogen 2.856 N/A ALA 145.A N GLY 141.A O no hydrogen 2.817 N/A PHE 146.A N ILE 142.A O no hydrogen 3.059 N/A LEU 147.A N SER 143.A O no hydrogen 3.051 N/A LEU 148.A N THR 144.A O no hydrogen 2.925 N/A VAL 149.A N ALA 145.A O no hydrogen 3.163 N/A LEU 150.A N PHE 146.A O no hydrogen 2.947 N/A LEU 151.A N LEU 147.A O no hydrogen 2.835 N/A TYR 152.A N LEU 148.A O no hydrogen 2.804 N/A PHE 153.A N VAL 149.A O no hydrogen 2.941 N/A LEU 154.A N LEU 150.A O no hydrogen 3.037 N/A PHE 155.A N TYR 152.A O no hydrogen 2.769 N/A SER 156.A N TYR 152.A O no hydrogen 3.108 N/A SER 157.A N PHE 153.A O no hydrogen 2.968 N/A SER 157.A OG PHE 153.A O no hydrogen 3.038 N/A LEU 158.A N PHE 155.A O no hydrogen 3.341 N/A SER 159.A N PHE 155.A O no hydrogen 3.151 N/A SER 159.A OG PHE 155.A O no hydrogen 3.057 N/A SER 159.A OG SER 156.A O no hydrogen 3.168 N/A VAL 162.A N LEU 158.A O no hydrogen 2.748 N/A ALA 163.A N SER 159.A O no hydrogen 3.270 N/A ALA 163.A N GLY 160.A O no hydrogen 3.086 N/A ASN 164.A N ARG 161.A O no hydrogen 3.248 N/A LEU 165.A N VAL 162.A O no hydrogen 3.104 N/A THR 169.A OG1 ASP 168.A OD1 no hydrogen 3.322 N/A THR 169.A OG1 VAL 231.A O no hydrogen 2.911 N/A ARG 170.A N PRO 166.A O no hydrogen 2.847 N/A ARG 170.A NH2 ALA 163.A O no hydrogen 3.303 N/A SER 171.A N SER 167.A O no hydrogen 3.176 N/A THR 172.A N ASP 168.A O no hydrogen 3.330 N/A THR 172.A OG1 ASP 168.A O no hydrogen 3.174 N/A PHE 173.A N THR 169.A O no hydrogen 2.839 N/A LYS 174.A N ARG 170.A O no hydrogen 2.980 N/A THR 175.A N SER 171.A O no hydrogen 3.068 N/A THR 175.A OG1 SER 171.A O no hydrogen 2.900 N/A LEU 176.A N THR 172.A O no hydrogen 3.025 N/A ARG 177.A N PHE 173.A O no hydrogen 2.908 N/A ARG 177.A NE ASN 178.A OD1 no hydrogen 3.484 N/A ASN 178.A N LYS 174.A O no hydrogen 2.925 N/A LEU 179.A N THR 175.A O no hydrogen 2.832 N/A VAL 180.A N LEU 176.A O no hydrogen 2.897 N/A THR 181.A N ARG 177.A O no hydrogen 3.009 N/A THR 181.A OG1 ARG 177.A O no hydrogen 2.573 N/A VAL 182.A N ASN 178.A O no hydrogen 3.069 N/A VAL 183.A N LEU 179.A O no hydrogen 2.800 N/A TRP 184.A N VAL 180.A O no hydrogen 2.796 N/A VAL 186.A N VAL 183.A O no hydrogen 3.102 N/A TYR 187.A N TRP 184.A O no hydrogen 3.318 N/A TYR 187.A OH ASP 214.A OD1 no hydrogen 2.646 N/A TRP 190.A N VAL 186.A O no hydrogen 2.734 N/A TRP 190.A NE1 GLU 206.A O no hydrogen 2.979 N/A TRP 191.A N TYR 187.A O no hydrogen 2.781 N/A TRP 191.A NE1 TYR 79.A OH no hydrogen 2.978 N/A TRP 191.A NE1 THR 122.A OG1 no hydrogen 2.966 N/A LEU 192.A N PRO 188.A O no hydrogen 2.931 N/A VAL 193.A N VAL 189.A O no hydrogen 3.074 N/A GLY 194.A N TRP 191.A O no hydrogen 3.229 N/A SER 195.A N GLU 206.A OE1 no hydrogen 3.068 N/A SER 195.A OG GLU 196.A OE2 no hydrogen 3.081 N/A SER 195.A OG GLU 206.A OE1 no hydrogen 3.011 N/A GLY 197.A N GLY 194.A O no hydrogen 3.051 N/A LEU 198.A N LEU 192.A O no hydrogen 2.574 N/A GLY 199.A N GLY 194.A O no hydrogen 2.737 N/A LEU 200.A N VAL 193.A O no hydrogen 2.880 N/A VAL 201.A N VAL 193.A O no hydrogen 2.931 N/A GLU 206.A N GLY 202.A O no hydrogen 2.899 N/A THR 207.A N ILE 203.A O no hydrogen 2.888 N/A THR 207.A OG1 ILE 203.A O no hydrogen 2.720 N/A ALA 208.A N GLY 204.A O no hydrogen 3.163 N/A GLY 209.A N ILE 205.A O no hydrogen 2.995 N/A PHE 210.A N GLU 206.A O no hydrogen 2.975 N/A MET 211.A N THR 207.A O no hydrogen 2.954 N/A VAL 212.A N ALA 208.A O no hydrogen 3.191 N/A ILE 213.A N GLY 209.A O no hydrogen 3.183 N/A ASP 214.A N PHE 210.A O no hydrogen 2.908 N/A LEU 215.A N MET 211.A O no hydrogen 3.098 N/A VAL 216.A N VAL 212.A O no hydrogen 2.903 N/A ALA 217.A N ILE 213.A O no hydrogen 2.887 N/A LYS 218.A N ASP 214.A O no hydrogen 2.853 N/A LYS 218.A NZ ASP 81.A OD1 no hydrogen 3.555 N/A LYS 218.A NZ THR 85.A OG1 no hydrogen 3.391 N/A GLY 220.A N LEU 215.A O no hydrogen 2.869 N/A PHE 221.A N VAL 216.A O no hydrogen 2.886 N/A GLY 222.A N LYS 218.A O no hydrogen 3.031 N/A ILE 223.A N VAL 219.A O no hydrogen 2.933 N/A ILE 224.A N GLY 220.A O no hydrogen 3.212 N/A LEU 225.A N PHE 221.A O no hydrogen 2.998 N/A LEU 226.A N GLY 222.A O no hydrogen 3.058 N/A VAL 231.A N SER 228.A OG no hydrogen 3.328 N/A ASP 233.A N HIS 229.A O no hydrogen 2.996 N/A GLY 234.A N VAL 231.A O no hydrogen 3.193 N/A ALA 236.A N ASP 233.A O no hydrogen 2.752 N/A