Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wt1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 6.A N PHE 54.A O no hydrogen 3.283 N/A ILE 8.A N THR 56.A O no hydrogen 2.752 N/A GLY 9.A N THR 12.A OG1 no hydrogen 2.928 N/A THR 12.A N GLY 9.A O no hydrogen 3.018 N/A THR 12.A OG1 GLU 7.A O no hydrogen 2.598 N/A THR 12.A OG1 GLY 9.A O no hydrogen 3.239 N/A TYR 13.A N GLY 9.A O no hydrogen 2.915 N/A TYR 16.A N THR 12.A O no hydrogen 3.095 N/A MET 17.A N TYR 13.A O no hydrogen 2.849 N/A SER 18.A N SER 14.A O no hydrogen 2.840 N/A SER 18.A OG SER 14.A O no hydrogen 3.388 N/A LEU 23.A N GLN 82.A O no hydrogen 3.011 N/A ALA 24.A N ASN 53.A O no hydrogen 2.912 N/A TYR 25.A N ALA 80.A O no hydrogen 2.748 N/A TYR 25.A OH HIS 65.A NE2 no hydrogen 3.153 N/A TYR 25.A OH GLN 82.A OE1 no hydrogen 2.546 N/A ILE 26.A N GLY 55.A O no hydrogen 2.813 N/A PHE 27.A N ALA 78.A O no hydrogen 2.894 N/A ALA 28.A N ILE 57.A O no hydrogen 3.412 N/A GLU 33.A N THR 30.A OG1 no hydrogen 3.124 N/A ARG 34.A N THR 30.A O no hydrogen 3.037 N/A ARG 34.A NE ALA 28.A O no hydrogen 3.258 N/A ARG 34.A NH2 GLU 29.A O no hydrogen 3.341 N/A LYS 35.A N ALA 31.A O no hydrogen 2.978 N/A GLU 36.A N GLU 32.A O no hydrogen 2.972 N/A LEU 37.A N GLU 33.A O no hydrogen 2.874 N/A SER 38.A N ARG 34.A O no hydrogen 2.924 N/A SER 38.A OG ARG 34.A O no hydrogen 2.488 N/A SER 38.A OG THR 56.A OG1 no hydrogen 3.181 N/A ASP 39.A N LYS 35.A O no hydrogen 2.945 N/A LYS 40.A N GLU 36.A O no hydrogen 3.018 N/A LEU 41.A N LEU 37.A O no hydrogen 2.982 N/A ILE 44.A N LEU 41.A O no hydrogen 2.957 N/A ALA 45.A N LEU 41.A O no hydrogen 3.130 N/A GLU 46.A N LYS 42.A O no hydrogen 2.743 N/A ALA 47.A N PRO 43.A O no hydrogen 2.928 N/A GLN 48.A N ILE 44.A O no hydrogen 3.008 N/A GLN 48.A N ALA 45.A O no hydrogen 3.111 N/A ARG 49.A N GLU 46.A O no hydrogen 3.374 N/A VAL 51.A N GLN 48.A O no hydrogen 2.730 N/A ILE 52.A N GLN 48.A O no hydrogen 2.956 N/A ASN 53.A N PRO 22.A O no hydrogen 3.034 N/A GLY 55.A N ALA 24.A O no hydrogen 2.970 N/A THR 56.A N GLY 6.A O no hydrogen 3.010 N/A THR 56.A OG1 SER 38.A OG no hydrogen 3.181 N/A ILE 57.A N ILE 26.A O no hydrogen 2.953 N/A ALA 59.A N ALA 28.A O no hydrogen 3.009 N/A ALA 61.A N ASP 58.A OD1 no hydrogen 3.193 N/A PHE 62.A N ASP 58.A O no hydrogen 2.777 N/A HIS 65.A N PHE 62.A O no hydrogen 2.998 N/A HIS 65.A NE2 TYR 25.A OH no hydrogen 3.153 N/A ALA 66.A N GLY 63.A O no hydrogen 3.072 N/A GLY 67.A N ALA 64.A O no hydrogen 3.346 N/A ASN 68.A N HIS 65.A O no hydrogen 2.935 N/A LEU 69.A N ALA 66.A O no hydrogen 2.863 N/A ASN 70.A N GLY 67.A O no hydrogen 3.195 N/A ASN 70.A ND2 SER 118.A OG no hydrogen 2.806 N/A LEU 71.A N ALA 66.A O no hydrogen 3.046 N/A LYS 72.A N GLN 94.A OE1 no hydrogen 2.632 N/A ALA 78.A N PHE 27.A O no hydrogen 3.017 N/A ALA 80.A N TYR 25.A O no hydrogen 3.225 N/A ILE 81.A N PHE 90.A O no hydrogen 2.945 N/A GLN 82.A N LEU 23.A O no hydrogen 2.836 N/A GLU 83.A N GLN 88.A O no hydrogen 2.886 N/A ASN 87.A N VAL 84.A O no hydrogen 3.211 N/A GLN 88.A N GLU 83.A O no hydrogen 3.111 N/A LYS 89.A NZ ASN 68.A O no hydrogen 2.730 N/A PHE 90.A N ILE 81.A O no hydrogen 2.803 N/A PHE 92.A N PHE 79.A O no hydrogen 2.983 N/A GLN 94.A NE2 LYS 72.A O no hydrogen 2.942 N/A GLN 94.A NE2 LYS 75.A O no hydrogen 2.919 N/A GLU 95.A N ASP 93.A OD1 no hydrogen 2.718 N/A LYS 96.A N ASP 93.A O no hydrogen 3.033 N/A ALA 102.A N THR 99.A OG1 no hydrogen 3.019 N/A ILE 103.A N THR 99.A O no hydrogen 2.978 N/A LYS 104.A N PHE 100.A O no hydrogen 2.901 N/A LYS 104.A NZ ASP 108.A OD2 no hydrogen 2.914 N/A ALA 105.A N GLU 101.A O no hydrogen 3.114 N/A PHE 106.A N ALA 102.A O no hydrogen 2.973 N/A VAL 107.A N ILE 103.A O no hydrogen 2.698 N/A ASP 108.A N LYS 104.A O no hydrogen 2.840 N/A ASP 109.A N ALA 105.A O no hydrogen 2.931 N/A PHE 110.A N PHE 106.A O no hydrogen 2.861 N/A VAL 111.A N VAL 107.A O no hydrogen 2.883 N/A ALA 112.A N ASP 108.A O no hydrogen 2.849 N/A GLY 113.A N PHE 110.A O no hydrogen 2.970 N/A LYS 114.A N ASP 109.A O no hydrogen 2.969 N/A SER 118.A N LYS 89.A O no hydrogen 3.033 N/A SER 118.A OG LYS 89.A O no hydrogen 2.610 N/A LYS 120.A N ASP 197.A OD2 no hydrogen 2.503 N/A LYS 120.A NZ THR 194.A O no hydrogen 3.120 N/A SER 121.A OG GLU 122.A O no hydrogen 2.627 N/A SER 121.A OG ASN 196.A OD1 no hydrogen 3.468 N/A GLU 122.A N ASN 196.A OD1 no hydrogen 2.952 N/A GLU 126.A N GLU 126.A OE2 no hydrogen 2.533 N/A LYS 127.A NZ GLU 129.A OE1 no hydrogen 3.105 N/A THR 133.A N ILE 188.A O no hydrogen 2.856 N/A THR 133.A OG1 ILE 188.A O no hydrogen 3.551 N/A VAL 135.A N LYS 190.A O no hydrogen 2.761 N/A VAL 136.A N ASN 139.A OD1 no hydrogen 2.795 N/A ALA 137.A N ASN 196.A OD1 no hydrogen 3.022 N/A LYS 138.A N SER 121.A OG no hydrogen 3.172 N/A ASN 139.A N VAL 136.A O no hydrogen 3.118 N/A ASN 139.A ND2 VAL 134.A O no hydrogen 3.399 N/A TYR 140.A N ALA 137.A O no hydrogen 3.478 N/A TYR 140.A OH ASP 200.A OD1 no hydrogen 2.441 N/A ILE 143.A N ASN 139.A O no hydrogen 3.009 N/A VAL 144.A N TYR 140.A O no hydrogen 2.671 N/A LEU 145.A N ASN 141.A O no hydrogen 3.071 N/A THR 148.A N ASP 146.A OD1 no hydrogen 2.857 N/A THR 148.A OG1 ASP 146.A OD1 no hydrogen 2.719 N/A THR 148.A OG1 ASP 146.A OD2 no hydrogen 3.516 N/A LYS 149.A N ASP 146.A O no hydrogen 3.135 N/A LYS 149.A NZ ASP 146.A OD2 no hydrogen 3.023 N/A LYS 149.A NZ THR 148.A OG1 no hydrogen 2.608 N/A ASP 150.A N ARG 185.A O no hydrogen 2.949 N/A VAL 151.A N TYR 211.A O no hydrogen 3.009 N/A LEU 152.A N VAL 187.A O no hydrogen 2.725 N/A ILE 153.A N LYS 209.A O no hydrogen 2.798 N/A GLU 154.A N ALA 189.A O no hydrogen 2.761 N/A PHE 155.A N THR 207.A O no hydrogen 2.835 N/A TYR 156.A N VAL 191.A O no hydrogen 2.930 N/A CYS 160.A N ALA 157.A O no hydrogen 3.190 N/A CYS 160.A SG PHE 205.A O no hydrogen 3.555 N/A LYS 164.A N CYS 160.A O no hydrogen 3.175 N/A ALA 165.A N GLY 161.A O no hydrogen 3.053 N/A LEU 166.A N HIS 162.A O no hydrogen 3.211 N/A LEU 166.A N CYS 163.A O no hydrogen 3.172 N/A ALA 167.A N CYS 163.A O no hydrogen 3.017 N/A ALA 167.A N LYS 164.A O no hydrogen 3.266 N/A LYS 169.A NZ ARG 226.A O no hydrogen 2.733 N/A TYR 170.A N LEU 166.A O no hydrogen 3.000 N/A TYR 170.A OH ALA 189.A O no hydrogen 2.812 N/A GLU 171.A N ALA 167.A O no hydrogen 2.926 N/A GLU 172.A N PRO 168.A O no hydrogen 3.145 N/A LEU 173.A N LYS 169.A O no hydrogen 2.901 N/A GLY 174.A N TYR 170.A O no hydrogen 3.066 N/A ALA 175.A N GLU 171.A O no hydrogen 2.895 N/A LEU 176.A N GLU 172.A O no hydrogen 2.946 N/A TYR 177.A N LEU 173.A O no hydrogen 3.025 N/A TYR 177.A OH ALA 243.A O no hydrogen 2.725 N/A ALA 178.A N GLY 174.A O no hydrogen 2.960 N/A LYS 179.A N ALA 175.A O no hydrogen 3.254 N/A SER 180.A N TYR 177.A O no hydrogen 3.027 N/A SER 180.A OG TYR 177.A O no hydrogen 2.640 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 3.002 N/A PHE 182.A N SER 180.A OG no hydrogen 2.935 N/A LYS 183.A N SER 180.A O no hydrogen 3.203 N/A ARG 185.A N PHE 182.A O no hydrogen 2.879 N/A ARG 185.A NE ASP 184.A OD1.A no hydrogen 3.027 N/A ARG 185.A NH2 ASP 184.A OD1.A no hydrogen 3.383 N/A VAL 186.A N PHE 182.A O no hydrogen 3.015 N/A VAL 187.A N ASP 150.A O no hydrogen 2.733 N/A ALA 189.A N LEU 152.A O no hydrogen 2.723 N/A LYS 190.A N THR 133.A O no hydrogen 2.853 N/A VAL 191.A N GLU 154.A O no hydrogen 2.785 N/A ALA 193.A N TYR 156.A O no hydrogen 2.996 N/A THR 194.A N ASP 192.A OD1 no hydrogen 2.886 N/A THR 194.A OG1 ASP 192.A OD1 no hydrogen 2.652 N/A ALA 195.A N ASP 192.A O no hydrogen 3.232 N/A ALA 195.A N ASP 192.A OD1 no hydrogen 3.117 N/A ASN 196.A ND2 GLU 122.A OE1 no hydrogen 2.886 N/A ASN 196.A ND2 ASP 192.A O no hydrogen 3.032 N/A ASP 197.A N LYS 120.A O no hydrogen 2.983 N/A THR 207.A N PHE 155.A O no hydrogen 3.178 N/A THR 207.A OG1 GLY 204.A O no hydrogen 2.638 N/A LYS 209.A N ILE 153.A O no hydrogen 2.943 N/A LYS 209.A NZ ASP 200.A OD2 no hydrogen 2.846 N/A LEU 210.A N VAL 220.A O no hydrogen 2.735 N/A TYR 211.A N VAL 151.A O no hydrogen 2.666 N/A TYR 211.A OH ASP 200.A OD2 no hydrogen 2.473 N/A ALA 213.A N ASP 150.A OD1 no hydrogen 2.929 N/A GLY 214.A N ASP 147.A O no hydrogen 3.154 N/A GLY 214.A N ASP 147.A OD1 no hydrogen 3.003 N/A ALA 215.A N PRO 212.A O no hydrogen 3.261 N/A LYS 216.A NZ VAL 144.A O no hydrogen 2.808 N/A LYS 216.A NZ ASP 146.A O no hydrogen 3.005 N/A LYS 216.A NZ LYS 149.A O no hydrogen 2.937 N/A LYS 216.A NZ TYR 211.A O no hydrogen 2.878 N/A GLN 218.A N ALA 215.A O no hydrogen 2.948 N/A VAL 220.A N LEU 210.A O no hydrogen 2.881 N/A TYR 222.A N ILE 208.A O no hydrogen 2.847 N/A TYR 222.A OH ASP 230.A OD2 no hydrogen 2.514 N/A ARG 226.A N TYR 222.A OH no hydrogen 2.908 N/A LEU 231.A N THR 227.A O no hydrogen 3.032 N/A ILE 232.A N VAL 228.A O no hydrogen 3.037 N/A LYS 233.A N GLU 229.A O no hydrogen 3.093 N/A LYS 233.A NZ GLU 237.A OE1 no hydrogen 3.565 N/A PHE 234.A N ASP 230.A O no hydrogen 2.977 N/A ILE 235.A N LEU 231.A O no hydrogen 2.880 N/A ALA 236.A N ILE 232.A O no hydrogen 3.001 N/A GLU 237.A N LYS 233.A O no hydrogen 2.840 N/A ASN 238.A N PHE 234.A O no hydrogen 3.037 N/A ASN 238.A ND2 PHE 234.A O no hydrogen 3.074 N/A GLY 239.A N ILE 235.A O no hydrogen 2.976 N/A LYS 240.A N ASP 150.A OD1 no hydrogen 2.801 N/A TYR 241.A N ASP 150.A OD2 no hydrogen 2.932 N/A TYR 241.A OH THR 148.A O no hydrogen 2.551 N/A ALA 244.A N LYS 242.A O no hydrogen 3.071 N/A