Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xju_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 7.A N SER 256.A OG no hydrogen 3.333 N/A GLY 11.A N HIS 8.A O no hydrogen 3.027 N/A ALA 15.A N ILE 252.A O no hydrogen 3.051 N/A CYS 16.A N TYR 202.A O no hydrogen 2.875 N/A LEU 17.A N CYS 250.A O no hydrogen 2.914 N/A ALA 19.A N GLN 247.A OE1 no hydrogen 2.778 N/A ARG 22.A NH2 TYR 202.A OH no hydrogen 3.041 N/A LYS 23.A N SER 240.A O no hydrogen 2.918 N/A LYS 23.A NZ ASP 242.A OD2 no hydrogen 3.507 N/A GLY 25.A N VAL 238.A O no hydrogen 2.941 N/A MET 26.A N GLN 63.A O no hydrogen 2.749 N/A ASN 27.A N THR 128.A O no hydrogen 2.834 N/A ASN 27.A ND2 ASN 29.A OD1 no hydrogen 3.054 N/A ILE 28.A N VAL 60.A O no hydrogen 2.779 N/A ASN 29.A N GLU 126.A O no hydrogen 2.877 N/A ASN 29.A ND2 GLU 126.A OE1 no hydrogen 2.932 N/A PHE 30.A N GLY 58.A O no hydrogen 2.885 N/A TYR 31.A N THR 124.A O no hydrogen 2.775 N/A GLN 32.A N THR 55.A O no hydrogen 2.881 N/A GLN 32.A NE2 SER 34.A OG no hydrogen 3.072 N/A TYR 33.A OH ASP 37.A O no hydrogen 2.727 N/A LYS 36.A N ALA 212.A O no hydrogen 2.794 N/A LYS 36.A NZ GLY 105.A O no hydrogen 3.020 N/A ASP 37.A N SER 34.A O no hydrogen 3.086 N/A SER 39.A N.A ASP 37.A OD1 no hydrogen 2.961 N/A SER 39.A N.B ASP 37.A OD1 no hydrogen 2.948 N/A SER 39.A OG.A ASP 37.A OD1 no hydrogen 3.176 N/A THR 40.A N ASP 37.A OD1 no hydrogen 2.949 N/A THR 40.A OG1 ASP 37.A OD1 no hydrogen 3.285 N/A THR 40.A OG1 ASP 37.A OD2 no hydrogen 2.541 N/A TYR 41.A N TYR 33.A OH no hydrogen 3.108 N/A SER 42.A N SER 39.A O.A no hydrogen 3.029 N/A SER 42.A N SER 39.A O.B no hydrogen 3.086 N/A SER 42.A OG LYS 181.A O no hydrogen 2.797 N/A ASN 43.A N THR 40.A O no hydrogen 3.441 N/A ASN 43.A ND2.A THR 40.A O no hydrogen 3.205 N/A TYR 46.A N ASN 43.A OD1.B no hydrogen 2.667 N/A TYR 46.A OH THR 124.A OG1 no hydrogen 2.697 N/A MET 47.A N ASN 43.A O no hydrogen 3.130 N/A ALA 48.A N ALA 44.A O no hydrogen 2.826 N/A TYR 49.A N ALA 45.A O no hydrogen 3.047 N/A GLY 50.A N ALA 45.A O no hydrogen 2.798 N/A TYR 51.A N TYR 46.A O no hydrogen 2.935 N/A TYR 51.A OH GLU 126.A OE2 no hydrogen 2.593 N/A ALA 52.A N TYR 49.A O no hydrogen 3.139 N/A SER 53.A N GLY 50.A O no hydrogen 2.912 N/A SER 53.A OG.B GLY 50.A O no hydrogen 2.712 N/A LYS 54.A N TYR 51.A O no hydrogen 3.178 N/A LEU 57.A N PHE 30.A O no hydrogen 2.689 N/A VAL 60.A N ILE 28.A O no hydrogen 2.919 N/A GLN 63.A N MET 26.A O no hydrogen 2.894 N/A GLN 63.A NE2 GLY 61.A O no hydrogen 2.970 N/A ILE 66.A N ASP 232.A O no hydrogen 2.915 N/A SER 67.A OG ASP 232.A OD1 no hydrogen 2.611 N/A ILE 68.A N LEU 218.A O no hydrogen 2.874 N/A TYR 70.A N GLY 216.A O no hydrogen 2.737 N/A CYS 74.A N PHE 81.A O no hydrogen 2.769 N/A VAL 75.A N ASN 102.A OD1 no hydrogen 2.844 N/A SER 76.A N GLY 79.A O no hydrogen 2.907 N/A SER 76.A OG SER 78.A OG no hydrogen 3.332 N/A SER 76.A OG GLY 79.A O no hydrogen 2.937 N/A SER 78.A N SER 76.A OG no hydrogen 3.108 N/A SER 78.A OG SER 76.A OG no hydrogen 3.332 N/A GLY 79.A N SER 76.A O no hydrogen 3.164 N/A PHE 81.A N CYS 74.A O no hydrogen 3.133 N/A CYS 83.A N ILE 72.A O no hydrogen 2.894 N/A CYS 83.A SG PRO 84.A O no hydrogen 3.421 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.757 N/A ASP 87.A N PRO 84.A O no hydrogen 2.814 N/A SER 88.A N GLN 85.A O no hydrogen 3.053 N/A SER 88.A OG GLN 85.A O no hydrogen 2.736 N/A TYR 89.A N GLY 93.A O no hydrogen 2.960 N/A TRP 92.A NE1 ASN 102.A O no hydrogen 2.772 N/A GLY 93.A N TYR 89.A O no hydrogen 2.781 N/A CYS 94.A N GLY 98.A O no hydrogen 3.066 N/A LYS 95.A N ASP 87.A O no hydrogen 2.901 N/A MET 97.A N CYS 94.A O no hydrogen 2.818 N/A CYS 100.A N TRP 92.A O no hydrogen 2.846 N/A SER 101.A N VAL 75.A O no hydrogen 2.945 N/A SER 101.A OG VAL 75.A O no hydrogen 3.445 N/A ASN 102.A ND2 PRO 73.A O no hydrogen 2.763 N/A ASN 102.A ND2 TYR 108.A OH no hydrogen 2.853 N/A GLY 105.A N SER 103.A OG no hydrogen 2.966 N/A TYR 108.A N THR 121.A OG1 no hydrogen 3.133 N/A TYR 108.A OH SER 103.A O no hydrogen 2.622 N/A SER 110.A N THR 118.A O no hydrogen 2.942 N/A ASP 112.A N SER 110.A OG no hydrogen 2.977 N/A GLY 115.A N THR 111.A O no hydrogen 2.939 N/A PHE 116.A N LEU 113.A O no hydrogen 3.014 N/A THR 118.A N SER 110.A O no hydrogen 3.122 N/A THR 119.A N THR 118.A OG1 no hydrogen 2.762 N/A THR 119.A OG1 ASN 122.A O no hydrogen 2.998 N/A THR 119.A OG1 ASN 122.A OD1 no hydrogen 3.515 N/A THR 121.A OG1 ASN 122.A OD1 no hydrogen 2.745 N/A ASN 122.A N THR 119.A O no hydrogen 2.968 N/A ASN 122.A ND2 TYR 33.A O no hydrogen 2.989 N/A VAL 123.A N ASN 211.A O no hydrogen 3.111 N/A THR 124.A N TYR 31.A O no hydrogen 3.018 N/A THR 124.A OG1 TYR 46.A OH no hydrogen 2.697 N/A THR 124.A OG1 SER 210.A OG.A no hydrogen 2.973 N/A THR 124.A OG1 SER 210.A OG.B no hydrogen 2.760 N/A LEU 125.A N TYR 209.A O no hydrogen 2.740 N/A GLU 126.A N ASN 29.A O no hydrogen 2.870 N/A MET 127.A N VAL 207.A O no hydrogen 2.731 N/A THR 128.A N ASN 27.A O no hydrogen 2.857 N/A GLY 129.A N LEU 205.A O no hydrogen 3.133 N/A TYR 130.A N TYR 239.A O no hydrogen 2.632 N/A PHE 131.A N TYR 203.A O no hydrogen 2.777 N/A LEU 132.A N TYR 237.A O no hydrogen 2.802 N/A GLN 135.A N TYR 139.A OH no hydrogen 3.227 N/A GLN 135.A NE2 ASP 226.A OD2 no hydrogen 2.999 N/A GLY 137.A N MET 197.A O no hydrogen 2.914 N/A TYR 139.A N VAL 195.A O no hydrogen 2.967 N/A TYR 139.A OH GLN 135.A O no hydrogen 2.658 N/A THR 140.A N GLU 223.A O no hydrogen 2.988 N/A THR 140.A OG1 THR 194.A OG1.B no hydrogen 3.210 N/A PHE 141.A N GLY 193.A O no hydrogen 2.813 N/A SER 142.A N SER 221.A O no hydrogen 2.818 N/A PHE 143.A N ILE 191.A O.A no hydrogen 2.947 N/A PHE 143.A N ILE 191.A O.B no hydrogen 2.979 N/A ALA 144.A N PRO 219.A O no hydrogen 2.971 N/A THR 145.A OG1 ASP 189.A OD1.B no hydrogen 3.429 N/A THR 145.A OG1 ASP 189.A OD2.B no hydrogen 2.863 N/A ASP 147.A N THR 217.A O no hydrogen 2.920 N/A ASP 148.A N SER 210.A O no hydrogen 3.046 N/A SER 149.A N SER 210.A O no hydrogen 3.182 N/A SER 149.A OG TYR 41.A O no hydrogen 2.679 N/A ALA 150.A N GLY 179.A O no hydrogen 3.075 N/A ILE 151.A N VAL 208.A O no hydrogen 2.858 N/A LEU 152.A N ILE 177.A O no hydrogen 3.027 N/A SER 153.A N LYS 206.A O no hydrogen 2.774 N/A VAL 154.A N THR 176.A OG1 no hydrogen 3.001 N/A GLY 155.A N PRO 204.A O no hydrogen 2.795 N/A GLY 156.A N GLU 14.A O no hydrogen 2.877 N/A SER 157.A N PHE 160.A O no hydrogen 2.933 N/A SER 157.A OG GLU 14.A OE2 no hydrogen 2.731 N/A SER 157.A OG GLU 161.A OE1 no hydrogen 3.327 N/A SER 157.A OG GLU 161.A OE2 no hydrogen 3.160 N/A ILE 158.A N GLY 155.A O no hydrogen 3.032 N/A ALA 159.A N GLY 155.A O no hydrogen 2.831 N/A CYS 162.A SG ALA 15.A O no hydrogen 3.179 N/A CYS 162.A SG CYS 250.A O no hydrogen 4.031 N/A CYS 163.A N TYR 130.A OH no hydrogen 2.972 N/A CYS 163.A SG GLN 247.A OE1 no hydrogen 3.424 N/A ALA 164.A N GLU 161.A O no hydrogen 3.007 N/A GLN 165.A NE2 THR 128.A OG1 no hydrogen 3.416 N/A GLN 165.A NE2 SER 240.A OG no hydrogen 3.116 N/A GLU 166.A N ASP 243.A OD1 no hydrogen 2.638 N/A GLN 167.A N ALA 164.A O no hydrogen 3.277 N/A GLN 167.A NE2 ASP 243.A OD2 no hydrogen 2.797 N/A ASN 174.A N SER 172.A OG no hydrogen 3.174 N/A THR 176.A N LEU 152.A O no hydrogen 2.846 N/A ILE 177.A N LEU 152.A O no hydrogen 2.911 N/A GLY 179.A N ALA 150.A O no hydrogen 2.805 N/A ILE 180.A N ASN 178.A OD1 no hydrogen 3.060 N/A LYS 181.A N SER 149.A OG no hydrogen 3.089 N/A GLY 185.A N PRO 182.A O no hydrogen 3.323 N/A ASN 190.A N.B ALA 144.A O no hydrogen 2.875 N/A ILE 191.A N.B PHE 143.A O no hydrogen 2.980 N/A THR 192.A N ASN 190.A OD1.A no hydrogen 3.041 N/A THR 192.A OG1 ASN 190.A OD1.A no hydrogen 3.270 N/A GLY 193.A N PHE 141.A O no hydrogen 3.000 N/A THR 194.A OG1.B THR 140.A OG1 no hydrogen 3.210 N/A VAL 195.A N TYR 139.A O no hydrogen 2.933 N/A MET 197.A N GLY 137.A O no hydrogen 2.895 N/A TYR 198.A N TYR 203.A OH no hydrogen 2.925 N/A ALA 199.A N THR 136.A OG1 no hydrogen 2.898 N/A GLY 200.A N PRO 133.A O no hydrogen 3.080 N/A TYR 201.A N TYR 198.A O no hydrogen 3.380 N/A TYR 202.A N CYS 16.A O no hydrogen 2.944 N/A TYR 203.A N PHE 131.A O no hydrogen 2.831 N/A LEU 205.A N GLY 129.A O no hydrogen 2.750 N/A LYS 206.A N SER 153.A O no hydrogen 2.896 N/A LYS 206.A NZ ALA 48.A O no hydrogen 2.752 N/A VAL 207.A N MET 127.A O no hydrogen 2.923 N/A VAL 208.A N ILE 151.A O no hydrogen 3.019 N/A TYR 209.A N LEU 125.A O no hydrogen 2.882 N/A TYR 209.A OH ASP 147.A O no hydrogen 2.740 N/A SER 210.A N SER 149.A O no hydrogen 2.847 N/A SER 210.A OG.A VAL 123.A O no hydrogen 3.509 N/A SER 210.A OG.A THR 124.A OG1 no hydrogen 2.973 N/A SER 210.A OG.B THR 124.A OG1 no hydrogen 2.760 N/A ASN 211.A N VAL 123.A O no hydrogen 3.012 N/A ASN 211.A ND2 PRO 120.A O no hydrogen 2.840 N/A ASN 211.A ND2 ALA 214.A O no hydrogen 2.960 N/A ASN 211.A ND2 TRP 215.A O no hydrogen 3.151 N/A ALA 212.A N ASP 148.A OD2 no hydrogen 2.996 N/A TRP 215.A NE1 CYS 83.A O no hydrogen 2.693 N/A GLY 216.A N TYR 70.A O no hydrogen 3.042 N/A THR 217.A N ASP 147.A O no hydrogen 2.872 N/A LEU 218.A N ILE 68.A O no hydrogen 2.812 N/A ILE 220.A N SER 67.A OG no hydrogen 2.880 N/A SER 221.A N SER 142.A O no hydrogen 3.005 N/A SER 221.A OG.A SER 231.A OG no hydrogen 2.625 N/A SER 221.A OG.B SER 142.A OG no hydrogen 2.559 N/A VAL 222.A N VAL 230.A O no hydrogen 2.919 N/A GLU 223.A N THR 140.A O no hydrogen 2.820 N/A LEU 224.A N THR 228.A O no hydrogen 2.819 N/A ASP 226.A N GLN 135.A OE1 no hydrogen 3.172 N/A GLY 227.A N LEU 224.A O no hydrogen 2.893 N/A THR 228.A N ASP 226.A OD1 no hydrogen 2.955 N/A THR 228.A OG1 ASP 226.A OD1 no hydrogen 2.656 N/A VAL 230.A N VAL 222.A O no hydrogen 2.839 N/A SER 231.A OG SER 221.A OG.A no hydrogen 2.625 N/A ASP 232.A N ILE 220.A O no hydrogen 2.934 N/A ASN 233.A N SER 231.A O no hydrogen 2.656 N/A PHE 234.A N THR 64.A O no hydrogen 2.713 N/A GLU 235.A N ASN 233.A OD1 no hydrogen 2.994 N/A TYR 237.A N PHE 234.A O no hydrogen 2.821 N/A TYR 239.A N TYR 130.A O no hydrogen 2.924 N/A SER 240.A N LYS 23.A O no hydrogen 2.864 N/A SER 240.A OG GLY 25.A O no hydrogen 2.703 N/A PHE 241.A N GLN 165.A OE1 no hydrogen 3.042 N/A ASP 243.A N GLU 166.A OE2 no hydrogen 2.761 N/A ASP 244.A N CYS 163.A O no hydrogen 2.847 N/A SER 246.A N.A ASP 244.A OD1 no hydrogen 3.112 N/A SER 246.A N.B ASP 244.A OD1 no hydrogen 3.112 N/A SER 246.A OG.A ASP 244.A OD1 no hydrogen 2.701 N/A GLN 247.A N ASP 244.A O no hydrogen 3.282 N/A GLN 247.A NE2 LEU 17.A O no hydrogen 2.959 N/A GLN 247.A NE2 ASN 249.A OD1 no hydrogen 2.825 N/A SER 248.A OG SER 246.A O.A no hydrogen 3.530 N/A CYS 250.A N GLN 247.A O no hydrogen 3.295 N/A ILE 252.A N ALA 15.A O no hydrogen 2.847 N/A SER 256.A N ASP 254.A OD1 no hydrogen 2.919 N/A SER 256.A OG ASP 254.A OD1 no hydrogen 2.515 N/A SER 256.A OG ASP 254.A OD2 no hydrogen 3.462 N/A ILE 257.A N ASP 254.A O no hydrogen 3.070 N/A