Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jr2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ALA 1.A O no hydrogen 3.400 N/A TYR 5.A N GLU 220.A O no hydrogen 2.855 N/A TYR 5.A OH ASP 140.A OD1 no hydrogen 2.494 N/A ASN 8.A N ASN 6.A OD1 no hydrogen 2.875 N/A PHE 9.A N MET 7.A O no hydrogen 2.822 N/A LYS 11.A N ASN 78.A O no hydrogen 3.014 N/A LYS 14.A NZ.A GLU 74.A OE2 no hydrogen 2.690 N/A CYS 15.A N ASP 52.A O no hydrogen 3.044 N/A ILE 16.A N ALA 83.A O no hydrogen 2.986 N/A ILE 17.A N ILE 54.A O no hydrogen 2.937 N/A ILE 18.A N ILE 85.A O no hydrogen 2.884 N/A ASN 19.A N TYR 56.A O no hydrogen 2.803 N/A ASN 19.A ND2 ASP 36.A OD1 no hydrogen 3.045 N/A ASN 19.A ND2 ASN 57.A OD1 no hydrogen 3.107 N/A ASN 20.A N LEU 87.A O no hydrogen 2.950 N/A ASN 20.A ND2 TYR 96.A O no hydrogen 2.966 N/A LYS 21.A N ASP 58.A OD1 no hydrogen 2.812 N/A LYS 21.A NZ ASP 36.A OD2 no hydrogen 3.007 N/A ASN 22.A N ASP 58.A OD1 no hydrogen 3.007 N/A ASN 22.A ND2 ASP 58.A OD2 no hydrogen 2.914 N/A ASP 24.A N LYS 98.A O no hydrogen 2.871 N/A THR 27.A N ASP 24.A O no hydrogen 2.970 N/A THR 27.A OG1 ASP 24.A O no hydrogen 2.763 N/A GLY 28.A N LYS 25.A O no hydrogen 2.808 N/A MET 29.A N THR 27.A OG1 no hydrogen 3.117 N/A ARG 32.A N LYS 21.A O no hydrogen 2.937 N/A ARG 32.A NH1 ASN 20.A O no hydrogen 2.909 N/A ARG 32.A NH1 THR 35.A OG1 no hydrogen 2.939 N/A THR 35.A N ARG 32.A O no hydrogen 2.993 N/A THR 35.A OG1 ASN 19.A OD1 no hydrogen 2.657 N/A LYS 37.A NZ ARG 159.A O no hydrogen 2.806 N/A LYS 37.A NZ GLN 165.A OE1 no hydrogen 3.529 N/A ASP 38.A N GLY 34.A O no hydrogen 3.254 N/A ALA 39.A N THR 35.A O no hydrogen 2.859 N/A GLU 40.A N ASP 36.A O no hydrogen 2.921 N/A ALA 41.A N LYS 37.A O no hydrogen 2.891 N/A LEU 42.A N ASP 38.A O no hydrogen 2.789 N/A PHE 43.A N ALA 39.A O no hydrogen 2.893 N/A LYS 44.A N GLU 40.A O no hydrogen 3.207 N/A LYS 44.A NZ.B GLU 40.A OE2 no hydrogen 2.777 N/A CYS 45.A N ALA 41.A O no hydrogen 2.888 N/A CYS 45.A SG.A ALA 41.A O no hydrogen 3.720 N/A CYS 45.A SG.A LEU 42.A O no hydrogen 3.911 N/A CYS 45.A SG.B ALA 41.A O no hydrogen 3.166 N/A CYS 45.A SG.B CYS 168.A O no hydrogen 3.534 N/A PHE 46.A N LEU 42.A O no hydrogen 2.855 N/A ARG 47.A N PHE 43.A O no hydrogen 2.975 N/A ARG 47.A NE.A PHE 51.A O no hydrogen 3.054 N/A ARG 47.A NE.B PHE 51.A O no hydrogen 2.979 N/A ARG 47.A NH2.A PHE 51.A O no hydrogen 2.971 N/A ARG 47.A NH2.B GLY 50.A O no hydrogen 3.220 N/A ARG 47.A NH2.B PHE 51.A O no hydrogen 3.394 N/A SER 48.A N LYS 44.A O no hydrogen 2.976 N/A SER 48.A OG.A LYS 44.A O no hydrogen 2.991 N/A SER 48.A OG.A GLU 172.A OE2.B no hydrogen 3.294 N/A SER 48.A OG.B CYS 45.A O no hydrogen 2.544 N/A SER 48.A OG.B GLU 172.A OE2.B no hydrogen 3.408 N/A LEU 49.A N PHE 46.A O no hydrogen 3.240 N/A GLY 50.A N PHE 46.A O no hydrogen 3.378 N/A GLY 50.A N ARG 47.A O no hydrogen 2.935 N/A PHE 51.A N PHE 46.A O no hydrogen 3.190 N/A ASP 52.A N GLY 13.A O no hydrogen 2.858 N/A ILE 54.A N CYS 15.A O no hydrogen 3.001 N/A TYR 56.A N ILE 17.A O no hydrogen 2.821 N/A ASP 58.A N ASN 19.A O no hydrogen 2.977 N/A CYS 59.A N ASN 20.A OD1 no hydrogen 2.860 N/A CYS 61.A N ASP 99.A OD1 no hydrogen 2.920 N/A CYS 61.A SG ASP 99.A OD1 no hydrogen 3.568 N/A CYS 61.A SG GLY 100.A O no hydrogen 3.118 N/A LYS 63.A N SER 60.A OG no hydrogen 3.001 N/A MET 64.A N SER 60.A O no hydrogen 2.927 N/A GLN 65.A N CYS 61.A O no hydrogen 3.089 N/A GLN 65.A NE2 THR 102.A OG1 no hydrogen 2.783 N/A ASP 66.A N ALA 62.A O no hydrogen 2.921 N/A LEU 67.A N LYS 63.A O no hydrogen 2.800 N/A LEU 68.A N MET 64.A O no hydrogen 3.175 N/A LYS 69.A N GLN 65.A O no hydrogen 2.827 N/A LYS 69.A NZ GLU 73.A OE2 no hydrogen 2.837 N/A LYS 70.A N ASP 66.A O no hydrogen 2.817 N/A LYS 70.A NZ ASP 66.A OD1 no hydrogen 2.792 N/A ALA 71.A N LEU 67.A O no hydrogen 2.948 N/A SER 72.A N LEU 68.A O no hydrogen 2.898 N/A SER 72.A OG LYS 69.A O no hydrogen 2.653 N/A GLU 73.A N LYS 70.A O no hydrogen 3.047 N/A GLU 74.A N ALA 71.A O no hydrogen 3.229 N/A HIS 76.A N THR 118.A OG1 no hydrogen 2.857 N/A HIS 76.A NE2 ALA 71.A O no hydrogen 2.769 N/A THR 77.A N ASP 75.A OD1 no hydrogen 2.989 N/A THR 77.A OG1 ASP 75.A OD1 no hydrogen 2.572 N/A ALA 79.A N HIS 76.A O no hydrogen 2.962 N/A ALA 80.A N LYS 11.A O no hydrogen 3.040 N/A ALA 80.A N LEU 12.A O no hydrogen 3.065 N/A CYS 81.A N LEU 12.A O no hydrogen 2.933 N/A CYS 81.A SG LEU 12.A O no hydrogen 3.491 N/A PHE 82.A N PRO 123.A O no hydrogen 3.134 N/A ALA 83.A N LYS 14.A O no hydrogen 3.021 N/A CYS 84.A N LEU 125.A O no hydrogen 2.832 N/A CYS 84.A SG ILE 16.A O no hydrogen 3.860 N/A ILE 85.A N ILE 16.A O no hydrogen 2.785 N/A LEU 86.A N PHE 127.A O no hydrogen 2.796 N/A LEU 87.A N ILE 18.A O no hydrogen 2.913 N/A SER 88.A N GLN 129.A O no hydrogen 3.090 N/A SER 88.A OG HIS 89.A O no hydrogen 3.534 N/A SER 88.A OG TYR 96.A O no hydrogen 2.619 N/A HIS 89.A NE2 GLY 30.A O no hydrogen 2.806 N/A GLU 91.A N VAL 94.A O no hydrogen 3.309 N/A GLU 92.A N GLY 133.A O no hydrogen 2.981 N/A VAL 94.A N GLU 91.A O no hydrogen 2.768 N/A ILE 95.A N THR 102.A O no hydrogen 2.979 N/A TYR 96.A N HIS 89.A O no hydrogen 2.905 N/A TYR 96.A OH GLU 91.A OE1 no hydrogen 3.185 N/A GLY 97.A N GLY 100.A O no hydrogen 2.778 N/A LYS 98.A N CYS 59.A O no hydrogen 2.839 N/A GLY 100.A N GLY 97.A O no hydrogen 3.521 N/A THR 102.A N ILE 95.A O no hydrogen 2.930 N/A ILE 104.A N ASN 93.A O no hydrogen 3.301 N/A ASP 106.A N PRO 103.A O no hydrogen 3.215 N/A LEU 107.A N ILE 104.A O no hydrogen 2.934 N/A THR 108.A N ILE 104.A O no hydrogen 3.153 N/A THR 108.A OG1 LYS 105.A O no hydrogen 3.192 N/A ALA 109.A N LYS 105.A O no hydrogen 2.951 N/A HIS 110.A NE2 GLN 65.A OE1 no hydrogen 3.272 N/A PHE 111.A N THR 108.A O no hydrogen 3.047 N/A ARG 112.A N ALA 109.A O no hydrogen 3.174 N/A ARG 112.A NE ASP 114.A OD1 no hydrogen 3.098 N/A ARG 112.A NH2 ASP 114.A OD1 no hydrogen 3.194 N/A ARG 112.A NH2 ASP 114.A OD2 no hydrogen 2.843 N/A GLY 113.A N VAL 137.A O no hydrogen 3.121 N/A ARG 115.A N ARG 112.A O no hydrogen 2.886 N/A CYS 116.A N ARG 112.A O no hydrogen 2.964 N/A CYS 116.A SG SER 72.A O no hydrogen 3.330 N/A LEU 119.A N CYS 116.A O no hydrogen 3.193 N/A LEU 120.A N LYS 117.A O no hydrogen 3.090 N/A LYS 122.A N LEU 119.A O no hydrogen 2.940 N/A LYS 122.A NZ HIS 76.A O no hydrogen 2.822 N/A LYS 122.A NZ THR 77.A O no hydrogen 3.309 N/A LYS 122.A NZ ALA 79.A O no hydrogen 2.865 N/A LYS 122.A NZ THR 118.A O no hydrogen 3.115 N/A LYS 124.A N ASP 140.A O no hydrogen 2.856 N/A LYS 124.A NZ LEU 119.A O no hydrogen 2.817 N/A LYS 124.A NZ LYS 122.A O no hydrogen 2.921 N/A LEU 125.A N PHE 82.A O no hydrogen 2.870 N/A PHE 126.A N LEU 142.A O no hydrogen 2.877 N/A PHE 127.A N CYS 84.A O no hydrogen 2.885 N/A ILE 128.A N ALA 144.A O no hydrogen 2.871 N/A GLN 129.A N LEU 86.A O no hydrogen 2.859 N/A ALA 130.A N SER 146.A OG no hydrogen 3.348 N/A CYS 131.A SG SER 153.A O no hydrogen 3.932 N/A ARG 132.A N TYR 151.A O no hydrogen 3.374 N/A ARG 132.A NH1 THR 147.A O no hydrogen 3.015 N/A ALA 139.A N PRO 136.A O no hydrogen 3.138 N/A ASP 140.A N MET 216.A O no hydrogen 2.846 N/A LEU 142.A N LYS 124.A O no hydrogen 2.968 N/A PHE 143.A N VAL 214.A O no hydrogen 2.846 N/A ALA 144.A N PHE 126.A O no hydrogen 2.737 N/A TYR 145.A N CYS 212.A O no hydrogen 2.927 N/A SER 146.A N ILE 128.A O no hydrogen 2.943 N/A SER 146.A OG ILE 128.A O no hydrogen 3.369 N/A SER 146.A OG SER 153.A OG.A no hydrogen 2.712 N/A SER 146.A OG SER 153.A OG.B no hydrogen 2.610 N/A THR 147.A OG1 VAL 148.A O no hydrogen 3.494 N/A THR 147.A OG1 TYR 152.A O no hydrogen 3.217 N/A GLY 150.A N ARG 132.A O no hydrogen 2.939 N/A TYR 152.A OH HIS 203.A NE2 no hydrogen 3.197 N/A SER 153.A OG.A SER 146.A OG no hydrogen 2.712 N/A SER 153.A OG.B ALA 130.A O no hydrogen 2.804 N/A SER 153.A OG.B SER 146.A OG no hydrogen 2.610 N/A TRP 154.A N GLN 209.A OE1 no hydrogen 2.770 N/A ARG 155.A NH1 ASN 33.A O no hydrogen 2.852 N/A SER 156.A N GLY 160.A O no hydrogen 2.828 N/A ARG 159.A N SER 156.A OG no hydrogen 3.168 N/A GLY 160.A N SER 156.A O no hydrogen 2.720 N/A SER 161.A N ASP 38.A OD1 no hydrogen 2.918 N/A SER 161.A N ASP 38.A OD2 no hydrogen 2.967 N/A SER 161.A OG ASP 38.A OD2 no hydrogen 2.676 N/A TRP 162.A N TRP 154.A O no hydrogen 3.197 N/A VAL 164.A N SER 161.A OG no hydrogen 3.240 N/A GLN 165.A N SER 161.A O no hydrogen 2.993 N/A GLN 165.A NE2 ASP 38.A OD1 no hydrogen 2.885 N/A ALA 166.A N TRP 162.A O no hydrogen 2.968 N/A LEU 167.A N PHE 163.A O no hydrogen 2.768 N/A CYS 168.A N VAL 164.A O no hydrogen 2.898 N/A CYS 168.A SG.A ALA 41.A O no hydrogen 3.357 N/A CYS 168.A SG.B ALA 41.A O no hydrogen 3.023 N/A SER 169.A N GLN 165.A O no hydrogen 3.068 N/A ILE 170.A N ALA 166.A O no hydrogen 3.031 N/A LEU 171.A N LEU 167.A O no hydrogen 2.923 N/A GLU 172.A N CYS 168.A O no hydrogen 2.930 N/A GLU 173.A N SER 169.A O no hydrogen 3.198 N/A HIS 174.A N ILE 170.A O no hydrogen 2.744 N/A GLY 175.A N LEU 171.A O no hydrogen 2.727 N/A LYS 176.A NZ SER 48.A O no hydrogen 2.834 N/A LYS 176.A NZ SER 48.A OG.C no hydrogen 3.161 N/A ASP 177.A N HIS 174.A O no hydrogen 2.972 N/A LEU 178.A N HIS 174.A O no hydrogen 2.932 N/A GLU 179.A N GLN 182.A OE1 no hydrogen 2.951 N/A ILE 180.A N LEU 221.A O no hydrogen 2.986 N/A MET 181.A N GLU 179.A OE1 no hydrogen 2.741 N/A ILE 183.A N GLU 179.A O no hydrogen 3.009 N/A LEU 184.A N ILE 180.A O no hydrogen 2.903 N/A THR 185.A N MET 181.A O no hydrogen 2.960 N/A THR 185.A OG1 MET 181.A O no hydrogen 2.672 N/A ARG 186.A N GLN 182.A O no hydrogen 3.175 N/A VAL 187.A N ILE 183.A O no hydrogen 3.001 N/A ASN 188.A N LEU 184.A O no hydrogen 2.859 N/A ASP 189.A N THR 185.A O no hydrogen 2.993 N/A ARG 190.A N ARG 186.A O no hydrogen 2.897 N/A ARG 190.A NH1 SER 169.A OG no hydrogen 2.947 N/A VAL 191.A N VAL 187.A O no hydrogen 2.939 N/A ALA 192.A N ASN 188.A O no hydrogen 2.997 N/A ARG 193.A N ASP 189.A O no hydrogen 2.890 N/A ARG 193.A NE ASP 189.A OD1 no hydrogen 2.780 N/A HIS 194.A N ARG 190.A O no hydrogen 2.955 N/A SER 197.A N LYS 207.A O no hydrogen 2.945 N/A SER 197.A OG PHE 204.A O no hydrogen 2.747 N/A SER 199.A N HIS 205.A ND1 no hydrogen 3.077 N/A SER 199.A OG ASP 201.A O no hydrogen 3.085 N/A ASP 201.A N SER 199.A OG no hydrogen 2.980 N/A HIS 203.A N ASP 201.A OD1 no hydrogen 2.983 N/A HIS 203.A NE2 TYR 152.A OH no hydrogen 3.197 N/A PHE 204.A N ASP 201.A O no hydrogen 3.072 N/A HIS 205.A N PRO 202.A O no hydrogen 3.119 N/A GLU 206.A N SER 197.A O no hydrogen 2.850 N/A LYS 207.A N SER 197.A OG no hydrogen 2.633 N/A LYS 208.A NZ ALA 192.A O no hydrogen 2.794 N/A LYS 208.A NZ PHE 195.A O no hydrogen 2.752 N/A GLN 209.A NE2 SER 146.A O no hydrogen 2.869 N/A CYS 212.A N TYR 145.A O no hydrogen 2.993 N/A VAL 214.A N PHE 143.A O no hydrogen 2.755 N/A MET 216.A N PHE 141.A O no hydrogen 2.850 N/A LEU 217.A N SER 215.A OG no hydrogen 3.030 N/A THR 218.A N TYR 5.A OH no hydrogen 2.980 N/A THR 218.A OG1 ASP 140.A OD1 no hydrogen 2.734 N/A GLU 220.A N TYR 3.A O no hydrogen 2.881 N/A LEU 221.A N GLU 179.A OE2 no hydrogen 2.774 N/A