Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wpl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N SER 2.A O no hydrogen 3.245 N/A ALA 5.A N SER 2.A OG no hydrogen 3.261 N/A ARG 6.A N SER 2.A O no hydrogen 2.982 N/A ARG 6.A NH1 GLU 10.A OE1 no hydrogen 2.979 N/A GLU 10.A N PRO 7.A O no hydrogen 2.863 N/A LEU 11.A N LEU 8.A O no hydrogen 2.983 N/A VAL 12.A N LEU 8.A O no hydrogen 3.032 N/A GLU 13.A N PHE 55.A O no hydrogen 2.953 N/A ARG 14.A NH2.B ASP 60.A OD2.A no hydrogen 3.190 N/A GLY 15.A N GLU 13.A OE2 no hydrogen 2.954 N/A TRP 16.A N GLU 13.A OE1 no hydrogen 3.010 N/A ALA 17.A N GLU 13.A O no hydrogen 2.809 N/A ALA 18.A N ARG 14.A O no hydrogen 3.188 N/A ALA 19.A N GLY 15.A O no hydrogen 2.933 N/A LEU 20.A N TRP 16.A O no hydrogen 2.863 N/A GLU 21.A N ALA 18.A O no hydrogen 3.220 N/A VAL 23.A N LEU 20.A O no hydrogen 2.866 N/A ALA 24.A N GLU 21.A O no hydrogen 3.054 N/A GLN 26.A NE2 GLY 146.A O no hydrogen 2.897 N/A VAL 27.A N VAL 23.A O no hydrogen 2.908 N/A ALA 28.A N ALA 24.A O no hydrogen 3.146 N/A HIS 29.A N ASP 25.A O no hydrogen 2.885 N/A MET 30.A N GLN 26.A O no hydrogen 2.870 N/A GLY 31.A N VAL 27.A O no hydrogen 3.051 N/A GLN 32.A N.A ALA 28.A O no hydrogen 3.008 N/A GLN 32.A N.B ALA 28.A O no hydrogen 3.008 N/A PHE 33.A N HIS 29.A O no hydrogen 2.819 N/A LEU 34.A N MET 30.A O no hydrogen 2.957 N/A ARG 35.A N GLY 31.A O no hydrogen 3.000 N/A ALA 36.A N GLN 32.A O.A no hydrogen 2.935 N/A ALA 36.A N GLN 32.A O.B no hydrogen 2.882 N/A GLU 37.A N PHE 33.A O no hydrogen 2.891 N/A ILE 38.A N LEU 34.A O no hydrogen 3.064 N/A ALA 39.A N ARG 35.A O no hydrogen 2.916 N/A ALA 40.A N ALA 36.A O no hydrogen 2.953 N/A GLY 41.A N ILE 38.A O no hydrogen 3.046 N/A ARG 42.A N GLU 37.A O no hydrogen 2.905 N/A ARG 42.A NE GLU 37.A OE1 no hydrogen 2.775 N/A ARG 42.A NH2 GLU 37.A OE2 no hydrogen 2.944 N/A LEU 45.A N VAL 134.A O no hydrogen 2.808 N/A ASN 50.A N ALA 47.A O no hydrogen 2.820 N/A VAL 51.A N GLY 48.A O no hydrogen 3.271 N/A ARG 53.A N ASN 50.A O no hydrogen 3.043 N/A ARG 53.A NH1 VAL 79.A O no hydrogen 3.020 N/A PHE 55.A N LEU 52.A O no hydrogen 2.915 N/A THR 56.A N ARG 53.A O no hydrogen 2.975 N/A THR 56.A OG1 ARG 53.A O no hydrogen 2.673 N/A PHE 59.A N GLU 13.A OE1 no hydrogen 3.021 N/A ASN 61.A N PRO 58.A O no hydrogen 3.050 N/A VAL 62.A N PHE 59.A O no hydrogen 3.325 N/A ARG 63.A N GLY 124.A O no hydrogen 2.793 N/A ARG 63.A NH1 ARG 123.A O no hydrogen 2.691 N/A ARG 63.A NH2 GLU 222.A O.A no hydrogen 2.953 N/A ARG 63.A NH2 GLU 222.A O.B no hydrogen 2.911 N/A ARG 63.A NH2 PRO 223.A O no hydrogen 2.797 N/A VAL 64.A N GLY 124.A O no hydrogen 3.212 N/A LEU 65.A N VAL 166.A O no hydrogen 2.858 N/A ILE 66.A N LEU 126.A O no hydrogen 2.868 N/A VAL 67.A N ILE 168.A O no hydrogen 2.902 N/A GLY 68.A N LEU 128.A O no hydrogen 2.993 N/A GLN 69.A NE2 ASP 70.A OD1 no hydrogen 2.983 N/A TYR 72.A OH PHE 83.A O no hydrogen 2.697 N/A HIS 77.A N THR 74.A O no hydrogen 3.092 N/A SER 82.A N LEU 127.A O no hydrogen 2.903 N/A SER 82.A OG LEU 128.A O no hydrogen 2.951 N/A SER 84.A N LEU 81.A O no hydrogen 3.141 N/A VAL 85.A N GLY 115.A O no hydrogen 2.983 N/A VAL 89.A N ALA 86.A O no hydrogen 3.038 N/A ARG 90.A NH2.B ASP 88.A O no hydrogen 2.949 N/A ALA 97.A N PRO 93.A O no hydrogen 2.941 N/A ASN 98.A N ARG 94.A O no hydrogen 3.001 N/A ASN 98.A ND2 PRO 194.A O no hydrogen 2.857 N/A ILE 99.A N SER 95.A O.A no hydrogen 2.867 N/A ILE 99.A N SER 95.A O.B no hydrogen 2.882 N/A PHE 100.A N LEU 96.A O no hydrogen 2.859 N/A ASP 101.A N ALA 97.A O no hydrogen 2.885 N/A GLU 102.A N ASN 98.A O no hydrogen 3.039 N/A TYR 103.A N ILE 99.A O no hydrogen 2.812 N/A THR 104.A N PHE 100.A O no hydrogen 2.954 N/A THR 104.A OG1 PHE 100.A O no hydrogen 3.489 N/A THR 104.A OG1 ASP 101.A O no hydrogen 2.920 N/A ALA 105.A N ASP 101.A O no hydrogen 3.005 N/A ASP 106.A N GLU 102.A O no hydrogen 2.774 N/A LEU 107.A N TYR 103.A O no hydrogen 2.928 N/A GLY 108.A N THR 104.A O no hydrogen 2.816 N/A SER 113.A N.A PRO 229.A OXT no hydrogen 2.783 N/A SER 113.A N.B PRO 229.A OXT no hydrogen 2.886 N/A SER 113.A OG.A PRO 229.A O no hydrogen 2.578 N/A SER 113.A OG.A PRO 229.A OXT no hydrogen 3.310 N/A ASP 116.A N ASN 114.A OD1 no hydrogen 2.949 N/A LEU 117.A N SER 84.A OG no hydrogen 2.871 N/A THR 118.A N.A ASP 116.A OD1 no hydrogen 2.951 N/A THR 118.A N.B ASP 116.A OD1 no hydrogen 2.931 N/A THR 118.A OG1.A ASP 116.A OD1 no hydrogen 2.868 N/A THR 118.A OG1.A ASP 116.A OD2 no hydrogen 3.298 N/A THR 118.A OG1.B ASP 116.A OD1 no hydrogen 2.644 N/A TRP 120.A NE1 TRP 226.A O no hydrogen 2.842 N/A ALA 121.A N LEU 117.A O no hydrogen 3.295 N/A GLN 122.A N THR 118.A O.A no hydrogen 2.831 N/A GLN 122.A N THR 118.A O.B no hydrogen 2.893 N/A ARG 123.A N TRP 120.A O no hydrogen 3.061 N/A ARG 123.A NH1 ASP 225.A O no hydrogen 2.792 N/A ARG 123.A NH1 ARG 227.A O no hydrogen 2.874 N/A GLY 124.A N ALA 121.A O no hydrogen 3.296 N/A VAL 125.A N TRP 120.A O no hydrogen 2.997 N/A LEU 126.A N VAL 64.A O no hydrogen 2.807 N/A LEU 128.A N ILE 66.A O no hydrogen 2.861 N/A ARG 130.A N GLY 68.A O no hydrogen 2.909 N/A ARG 130.A NE ASP 173.A O no hydrogen 3.394 N/A ARG 130.A NE THR 176.A OG1 no hydrogen 2.937 N/A ARG 130.A NH1 GLU 148.A O no hydrogen 2.878 N/A ARG 130.A NH1 THR 151.A OG1 no hydrogen 2.934 N/A ARG 130.A NH2 THR 176.A OG1 no hydrogen 3.154 N/A VAL 131.A N GLN 69.A O no hydrogen 3.066 N/A THR 133.A OG1 HIS 142.A ND1 no hydrogen 2.692 N/A VAL 134.A N LEU 45.A O no hydrogen 2.969 N/A ARG 135.A N SER 141.A OG no hydrogen 2.915 N/A SER 137.A N PRO 73.A O no hydrogen 2.794 N/A ASN 138.A N ARG 135.A O no hydrogen 3.063 N/A ALA 140.A N ASP 70.A OD2 no hydrogen 2.738 N/A SER 141.A N ASN 138.A O no hydrogen 3.074 N/A SER 141.A OG ASN 138.A O no hydrogen 2.648 N/A HIS 142.A ND1 THR 133.A OG1 no hydrogen 2.692 N/A ARG 143.A N ALA 140.A O no hydrogen 3.033 N/A ARG 143.A NH2 ASP 173.A OD2 no hydrogen 2.864 N/A GLY 144.A N GLU 148.A OE2 no hydrogen 2.860 N/A LYS 145.A NZ.A SER 141.A O no hydrogen 3.446 N/A LYS 145.A NZ.A ARG 143.A O no hydrogen 2.962 N/A TRP 147.A NE1 THR 133.A OG1 no hydrogen 2.814 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.779 N/A THR 151.A N TRP 147.A O no hydrogen 3.053 N/A THR 151.A OG1 ARG 130.A O no hydrogen 2.731 N/A THR 151.A OG1 GLU 148.A O no hydrogen 3.519 N/A GLU 152.A N GLU 148.A O no hydrogen 2.882 N/A CYS 153.A N ALA 149.A O no hydrogen 3.014 N/A CYS 153.A SG ALA 19.A O no hydrogen 3.404 N/A ALA 154.A N VAL 150.A O no hydrogen 3.021 N/A ILE 155.A N THR 151.A O no hydrogen 3.066 N/A ARG 156.A N.A GLU 152.A O no hydrogen 2.861 N/A ARG 156.A N.B GLU 152.A O no hydrogen 2.889 N/A ARG 156.A NE.B GLU 152.A OE2 no hydrogen 3.038 N/A ARG 156.A NH1.A GLU 152.A OE2 no hydrogen 2.823 N/A ARG 156.A NH1.B GLU 152.A OE2 no hydrogen 2.752 N/A ALA 157.A N CYS 153.A O no hydrogen 2.886 N/A LEU 158.A N ALA 154.A O no hydrogen 2.998 N/A ALA 159.A N ILE 155.A O no hydrogen 2.887 N/A ALA 160.A N ARG 156.A O.A no hydrogen 3.092 N/A ALA 160.A N ARG 156.A O.B no hydrogen 2.985 N/A ALA 160.A N ALA 157.A O no hydrogen 3.162 N/A ARG 161.A N ALA 157.A O no hydrogen 3.275 N/A ARG 161.A N LEU 158.A O no hydrogen 3.238 N/A ARG 161.A NE LEU 158.A O no hydrogen 3.140 N/A ARG 161.A NH1 VAL 62.A O no hydrogen 2.988 N/A ARG 161.A NH2 PHE 59.A O no hydrogen 2.922 N/A ARG 161.A NH2 VAL 62.A O no hydrogen 2.863 N/A ALA 163.A N ARG 161.A O no hydrogen 2.867 N/A LEU 165.A N ASN 185.A O no hydrogen 2.980 N/A VAL 166.A N ARG 63.A O no hydrogen 3.164 N/A ALA 167.A N VAL 187.A O.A no hydrogen 2.822 N/A ALA 167.A N VAL 187.A O.B no hydrogen 2.957 N/A ILE 168.A N LEU 65.A O no hydrogen 2.715 N/A LEU 169.A N ILE 189.A O no hydrogen 2.822 N/A TRP 170.A N VAL 67.A O no hydrogen 2.953 N/A GLY 171.A N SER 191.A O no hydrogen 2.963 N/A SER 175.A N.A GLY 171.A O no hydrogen 3.031 N/A SER 175.A N.B GLY 171.A O no hydrogen 2.997 N/A SER 175.A N.B ARG 172.A O no hydrogen 3.118 N/A SER 175.A OG.A GLY 171.A O no hydrogen 3.242 N/A SER 175.A OG.A GLU 190.A OE2.A no hydrogen 2.638 N/A SER 175.A OG.A GLU 190.A OE2.B no hydrogen 2.927 N/A SER 175.A OG.B ARG 172.A O no hydrogen 2.604 N/A THR 176.A N ASP 173.A O no hydrogen 3.200 N/A THR 176.A OG1 ASP 173.A O no hydrogen 2.695 N/A LEU 177.A N ALA 174.A O no hydrogen 3.010 N/A LYS 178.A N SER 175.A O.A no hydrogen 3.002 N/A LYS 178.A N SER 175.A O.B no hydrogen 3.040 N/A MET 180.A N LEU 177.A O no hydrogen 3.057 N/A LEU 181.A N LYS 178.A O no hydrogen 2.920 N/A ASN 185.A ND2 ALA 159.A O no hydrogen 2.932 N/A ASN 185.A ND2 ALA 163.A O no hydrogen 3.068 N/A CYS 186.A N ALA 183.A O no hydrogen 3.079 N/A VAL 187.A N.A LEU 165.A O no hydrogen 2.982 N/A VAL 187.A N.B LEU 165.A O no hydrogen 3.052 N/A ILE 189.A N ALA 167.A O no hydrogen 2.759 N/A SER 191.A N LEU 169.A O no hydrogen 3.087 N/A SER 191.A OG PRO 192.A O no hydrogen 2.816 N/A SER 195.A N HIS 193.A ND1 no hydrogen 2.867 N/A LEU 197.A N SER 195.A OG no hydrogen 3.111 N/A SER 198.A N SER 195.A O no hydrogen 2.958 N/A SER 198.A OG HIS 193.A O no hydrogen 2.723 N/A SER 198.A OG SER 195.A O no hydrogen 3.492 N/A ALA 199.A N SER 195.A O no hydrogen 2.823 N/A ARG 201.A N SER 198.A O no hydrogen 2.939 N/A GLY 202.A N ALA 199.A O no hydrogen 3.355 N/A PHE 203.A N ALA 199.A O no hydrogen 2.908 N/A PHE 204.A N ALA 199.A O no hydrogen 3.152 N/A GLY 205.A N GLU 102.A OE1 no hydrogen 2.745 N/A SER 206.A N PHE 203.A O no hydrogen 2.999 N/A SER 206.A OG PHE 203.A O no hydrogen 2.666 N/A ARG 207.A N GLU 102.A OE2 no hydrogen 2.780 N/A ARG 207.A NE ASP 106.A OD1 no hydrogen 2.817 N/A ARG 207.A NH1 ASP 106.A O no hydrogen 2.973 N/A ARG 207.A NH1 ASP 106.A OD1 no hydrogen 3.303 N/A SER 210.A N ASP 106.A OD2 no hydrogen 2.935 N/A SER 210.A OG ASP 106.A OD1 no hydrogen 2.578 N/A SER 210.A OG ASP 106.A OD2 no hydrogen 3.460 N/A ARG 211.A N ARG 207.A O no hydrogen 3.196 N/A ARG 211.A NH2 SER 206.A O no hydrogen 2.794 N/A ALA 212.A N PRO 208.A O no hydrogen 2.893 N/A ASN 213.A N PHE 209.A O no hydrogen 3.128 N/A ASN 213.A ND2 ILE 224.A O no hydrogen 2.911 N/A GLU 214.A N SER 210.A O no hydrogen 2.943 N/A LEU 215.A N ARG 211.A O no hydrogen 2.932 N/A LEU 216.A N ALA 212.A O no hydrogen 2.870 N/A VAL 217.A N ASN 213.A O no hydrogen 2.964 N/A GLY 218.A N GLU 214.A O no hydrogen 3.032 N/A MET 219.A N LEU 216.A O no hydrogen 2.969 N/A GLY 220.A N VAL 217.A O no hydrogen 2.987 N/A ALA 221.A N LEU 216.A O no hydrogen 2.921 N/A ILE 224.A N ASN 213.A OD1 no hydrogen 2.820 N/A TRP 226.A NE1 PHE 209.A O no hydrogen 3.105 N/A ARG 227.A N ASP 225.A OD1 no hydrogen 3.051 N/A ARG 227.A NH2 LEU 228.A O no hydrogen 2.888 N/A LEU 228.A N TYR 103.A OH no hydrogen 2.889 N/A