Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w9a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 220.A OE1 no hydrogen 3.043 N/A GLY 1.A N GLU 221.A O no hydrogen 3.075 N/A GLY 1.A N PRO 223.A O no hydrogen 2.679 N/A VAL 4.A N ILE 219.A O no hydrogen 2.776 N/A TRP 5.A N ILE 219.A O no hydrogen 3.262 N/A TRP 5.A NE1 THR 29.A O no hydrogen 2.985 N/A SER 8.A N ASP 6.A OD1 no hydrogen 2.903 N/A SER 8.A OG GLU 58.A OE1 no hydrogen 2.563 N/A PHE 9.A N GLU 58.A OE2 no hydrogen 2.991 N/A ASN 10.A N SER 8.A OG no hydrogen 2.928 N/A ASN 10.A ND2 SER 57.A O no hydrogen 3.212 N/A TYR 12.A N PHE 9.A O no hydrogen 2.840 N/A TYR 12.A OH THR 29.A OG1 no hydrogen 3.324 N/A THR 13.A N ASP 17.A OD2 no hydrogen 2.648 N/A THR 14.A N ASP 17.A OD2 no hydrogen 3.130 N/A ASP 17.A N THR 14.A O no hydrogen 2.951 N/A PHE 18.A N PRO 15.A O no hydrogen 2.929 N/A ASP 19.A N ALA 16.A O no hydrogen 2.920 N/A ARG 20.A N ASP 17.A O no hydrogen 3.410 N/A ARG 20.A NH1 ASP 17.A OD1 no hydrogen 2.611 N/A TRP 21.A NE1 GLN 82.A OE1 no hydrogen 2.789 N/A SER 22.A N ASN 25.A O no hydrogen 2.948 N/A ASN 25.A N SER 22.A O no hydrogen 3.068 N/A ASN 25.A ND2 ARG 20.A O no hydrogen 3.474 N/A GLN 26.A NE2 GLN 82.A OE1 no hydrogen 3.257 N/A VAL 27.A N ASN 25.A O no hydrogen 2.877 N/A THR 29.A N TYR 12.A OH no hydrogen 2.940 N/A THR 29.A OG1 TYR 12.A OH no hydrogen 3.324 N/A TYR 30.A OH GLY 7.A O no hydrogen 2.706 N/A GLN 31.A N ILE 80.A O no hydrogen 2.654 N/A GLN 31.A NE2 GLN 82.A OE1 no hydrogen 3.084 N/A TRP 32.A NE1 THR 40.A OG1 no hydrogen 2.876 N/A LYS 35.A NZ TRP 32.A O no hydrogen 3.419 N/A GLY 38.A N TYR 43.A OH no hydrogen 2.935 N/A THR 40.A OG1 ASP 19.A OD1 no hydrogen 2.476 N/A THR 40.A OG1 ASP 19.A OD2 no hydrogen 3.439 N/A ARG 42.A N PRO 39.A O no hydrogen 2.969 N/A ARG 42.A NH1 THR 69.A OG1 no hydrogen 2.934 N/A TYR 43.A N THR 40.A O no hydrogen 2.789 N/A TYR 43.A OH THR 69.A O no hydrogen 3.250 N/A TYR 43.A OH THR 69.A OG1 no hydrogen 2.845 N/A LEU 44.A N THR 40.A O no hydrogen 2.811 N/A ASN 45.A N LYS 63.A O no hydrogen 3.120 N/A ASN 45.A ND2 SER 41.A O no hydrogen 3.522 N/A ASP 47.A N GLY 61.A O no hydrogen 3.317 N/A SER 49.A N ASP 47.A OD1 no hydrogen 2.964 N/A SER 49.A OG ASP 47.A OD1 no hydrogen 2.614 N/A TYR 50.A N ASP 47.A O no hydrogen 2.919 N/A LYS 51.A NZ ILE 55.A O no hydrogen 3.054 N/A LYS 51.A NZ GLU 58.A O no hydrogen 2.642 N/A ASN 52.A N SER 215.A OG no hydrogen 3.096 N/A ASN 52.A ND2 ASN 174.A O no hydrogen 2.967 N/A ALA 54.A N ASN 52.A OD1 no hydrogen 2.879 N/A ILE 55.A N ASN 52.A O no hydrogen 2.876 N/A GLU 58.A N ILE 55.A O no hydrogen 3.255 N/A LEU 59.A N ASN 10.A OD1 no hydrogen 2.773 N/A ARG 60.A NH1 PHE 9.A O no hydrogen 2.989 N/A ARG 60.A NH1 ASN 10.A O no hydrogen 2.856 N/A ARG 60.A NH1 TYR 12.A O no hydrogen 3.248 N/A GLY 61.A N ASP 47.A O no hydrogen 3.041 N/A LEU 62.A N VAL 214.A O no hydrogen 2.878 N/A LYS 63.A N ASN 45.A O no hydrogen 2.724 N/A VAL 64.A N TRP 212.A O no hydrogen 2.601 N/A THR 65.A N TYR 43.A O no hydrogen 2.767 N/A THR 65.A OG1 ASP 211.A OD1 no hydrogen 2.690 N/A ILE 66.A N GLU 210.A O no hydrogen 3.123 N/A THR 69.A N ASP 67.A OD1 no hydrogen 2.853 N/A THR 69.A OG1 TYR 43.A OH no hydrogen 2.845 N/A THR 69.A OG1 ASP 67.A OD1 no hydrogen 2.645 N/A ALA 70.A N ASP 67.A O no hydrogen 2.971 N/A THR 71.A N THR 69.A O no hydrogen 2.937 N/A THR 71.A OG1 THR 69.A O no hydrogen 3.435 N/A SER 74.A OG ASN 73.A OD1 no hydrogen 3.502 N/A ARG 76.A NE GLU 78.A OE2 no hydrogen 2.703 N/A ARG 76.A NH1 ASN 73.A OD1 no hydrogen 3.007 N/A ARG 76.A NH2 GLU 78.A OE1 no hydrogen 2.875 N/A ARG 76.A NH2 GLU 78.A OE2 no hydrogen 3.547 N/A THR 77.A N VAL 200.A O no hydrogen 3.019 N/A THR 77.A OG1 THR 65.A O no hydrogen 2.845 N/A GLU 78.A N ILE 34.A O no hydrogen 3.284 N/A LEU 79.A N VAL 198.A O no hydrogen 2.913 N/A ILE 80.A N GLN 31.A O no hydrogen 3.124 N/A GLN 82.A N THR 29.A O no hydrogen 2.815 N/A ALA 85.A N THR 83.A OG1 no hydrogen 2.846 N/A LEU 87.A N SER 193.A OG no hydrogen 2.890 N/A GLY 88.A N ASN 86.A OD1 no hydrogen 2.827 N/A LEU 92.A N ILE 160.A O no hydrogen 2.865 N/A PHE 93.A N GLU 220.A O no hydrogen 2.928 N/A TYR 94.A N TYR 158.A O no hydrogen 2.950 N/A TYR 94.A OH LEU 87.A O no hydrogen 2.593 N/A HIS 95.A N TYR 218.A O no hydrogen 2.657 N/A HIS 95.A NE2 GLU 220.A OE2 no hydrogen 2.498 N/A PHE 96.A N PHE 156.A O no hydrogen 3.032 N/A SER 97.A N SER 215.A O no hydrogen 2.829 N/A ILE 98.A N PHE 154.A O no hydrogen 2.796 N/A LYS 99.A N TYR 213.A O no hydrogen 2.995 N/A LYS 99.A NZ ASP 151.A OD2 no hydrogen 3.296 N/A ARG 100.A NE PHE 148.A O no hydrogen 2.918 N/A ARG 100.A NH1 THR 101.A O no hydrogen 2.798 N/A ARG 100.A NH2 PHE 148.A O no hydrogen 3.425 N/A THR 101.A OG1 THR 103.A O no hydrogen 3.166 N/A THR 103.A N THR 101.A OG1 no hydrogen 3.063 N/A ASN 104.A ND2 ASP 211.A OD1 no hydrogen 3.501 N/A ASN 104.A ND2 ASP 211.A OD2 no hydrogen 2.756 N/A ASP 107.A N GLU 210.A OE2 no hydrogen 2.947 N/A THR 109.A N ASP 107.A OD1 no hydrogen 2.889 N/A THR 109.A OG1 ASP 107.A OD1 no hydrogen 2.580 N/A THR 109.A OG1 ASP 107.A OD2 no hydrogen 3.317 N/A LEU 110.A N ASP 107.A O no hydrogen 3.165 N/A HIS 112.A N TYR 125.A O no hydrogen 2.850 N/A HIS 112.A ND1 TYR 125.A O no hydrogen 3.011 N/A HIS 112.A NE2 GLU 210.A OE2 no hydrogen 2.636 N/A GLN 113.A N LEU 201.A O no hydrogen 2.865 N/A GLN 113.A NE2 GLU 111.A OE2 no hydrogen 2.944 N/A VAL 114.A N LEU 123.A O no hydrogen 2.802 N/A PHE 116.A N THR 121.A O no hydrogen 3.468 N/A GLU 117.A N ASP 195.A O no hydrogen 2.955 N/A HIS 119.A N PHE 116.A O no hydrogen 2.807 N/A HIS 119.A ND1 GLU 122.A OE1 no hydrogen 2.726 N/A THR 121.A OG1 TYR 137.A O no hydrogen 2.762 N/A GLU 122.A N TYR 137.A O no hydrogen 3.345 N/A LEU 123.A N VAL 114.A O no hydrogen 2.921 N/A LYS 124.A N GLY 135.A O no hydrogen 2.770 N/A LYS 124.A NZ GLU 111.A OE2 no hydrogen 3.152 N/A TYR 125.A N HIS 112.A O no hydrogen 3.275 N/A GLY 126.A N PRO 131.A O no hydrogen 2.928 N/A SER 129.A OG ASN 130.A OD1 no hydrogen 3.259 N/A ASN 133.A N ASN 130.A O no hydrogen 2.977 N/A ASN 133.A ND2 SER 145.A OG no hydrogen 3.092 N/A LEU 134.A N THR 146.A O no hydrogen 2.813 N/A GLY 135.A N LYS 124.A O no hydrogen 2.995 N/A TRP 136.A N TRP 144.A O no hydrogen 2.772 N/A TYR 137.A N GLU 122.A O no hydrogen 2.818 N/A ALA 138.A N THR 141.A O no hydrogen 3.030 N/A GLY 139.A N PHE 120.A O no hydrogen 2.824 N/A THR 141.A N ALA 138.A O no hydrogen 3.315 N/A ARG 143.A N TRP 136.A O no hydrogen 2.899 N/A ARG 143.A NE ALA 138.A O no hydrogen 3.063 N/A ARG 143.A NE THR 141.A O no hydrogen 2.889 N/A ARG 143.A NH2 ALA 138.A O no hydrogen 2.624 N/A THR 146.A N LEU 134.A O no hydrogen 3.081 N/A PHE 148.A N SER 132.A O no hydrogen 3.085 N/A THR 149.A N PRO 147.A O no hydrogen 2.860 N/A THR 149.A OG1 PRO 147.A O no hydrogen 3.374 N/A ASP 151.A N ARG 100.A O no hydrogen 2.833 N/A THR 152.A N THR 149.A O no hydrogen 3.353 N/A TRP 153.A N ASN 174.A OD1 no hydrogen 2.927 N/A PHE 154.A N ILE 98.A O no hydrogen 2.818 N/A ASN 155.A N SER 172.A O no hydrogen 2.782 N/A ASN 155.A ND2 SER 97.A OG no hydrogen 2.816 N/A PHE 156.A N PHE 96.A O no hydrogen 2.788 N/A ALA 157.A N TRP 170.A O no hydrogen 2.956 N/A TYR 158.A N TYR 94.A O no hydrogen 3.003 N/A ASP 159.A N GLY 168.A O no hydrogen 3.027 N/A ILE 160.A N LEU 92.A O no hydrogen 2.897 N/A ASP 161.A N THR 166.A O no hydrogen 2.756 N/A PHE 162.A N GLY 90.A O no hydrogen 2.804 N/A THR 163.A N ASP 161.A OD2 no hydrogen 3.057 N/A ALA 164.A N ASP 161.A OD2 no hydrogen 2.973 N/A LYS 165.A NZ ASN 188.A OD1 no hydrogen 3.090 N/A THR 166.A N ASP 161.A O no hydrogen 3.046 N/A THR 166.A OG1 ASN 184.A OD1 no hydrogen 2.937 N/A VAL 167.A N VAL 185.A O no hydrogen 3.009 N/A GLY 168.A N ASP 159.A O no hydrogen 2.836 N/A LEU 169.A N VAL 182.A O no hydrogen 2.889 N/A TRP 170.A N ALA 157.A O no hydrogen 2.781 N/A TRP 170.A NE1 ASP 159.A OD2 no hydrogen 2.906 N/A ALA 171.A N VAL 179.A O no hydrogen 2.780 N/A SER 172.A N ASN 155.A O no hydrogen 3.187 N/A SER 172.A OG ASN 155.A OD1 no hydrogen 2.955 N/A SER 172.A OG ASN 176.A O no hydrogen 2.620 N/A ASN 174.A N TRP 153.A O no hydrogen 2.700 N/A ASN 176.A N THR 173.A O no hydrogen 3.004 N/A LEU 178.A N THR 226.A O no hydrogen 2.798 N/A VAL 179.A N ALA 171.A O no hydrogen 3.081 N/A LYS 180.A NZ ASP 159.A OD2 no hydrogen 2.925 N/A VAL 181.A N LEU 169.A O no hydrogen 2.861 N/A VAL 182.A N LEU 169.A O no hydrogen 3.194 N/A VAL 185.A N VAL 167.A O no hydrogen 2.928 N/A ALA 187.A N LYS 165.A O no hydrogen 3.066 N/A PHE 190.A N ASN 188.A OD1 no hydrogen 3.393 N/A THR 191.A OG1 ASP 195.A OD1 no hydrogen 2.435 N/A THR 191.A OG1 ASP 195.A OD2 no hydrogen 3.472 N/A ASP 192.A N ASP 195.A OD2 no hydrogen 3.063 N/A SER 193.A N THR 191.A OG1 no hydrogen 2.994 N/A ARG 194.A N ASP 192.A OD1 no hydrogen 2.817 N/A HIS 197.A N PHE 115.A O no hydrogen 2.798 N/A HIS 197.A ND1 GLU 78.A OE1 no hydrogen 2.417 N/A VAL 198.A N LEU 79.A O no hydrogen 2.703 N/A VAL 200.A N THR 77.A O no hydrogen 3.024 N/A LEU 201.A N GLN 113.A O no hydrogen 2.920 N/A ARG 202.A NE VAL 204.A O no hydrogen 2.874 N/A ARG 202.A NH1 GLU 210.A OE2 no hydrogen 2.898 N/A ARG 202.A NH2 VAL 204.A O no hydrogen 2.901 N/A ARG 202.A NH2 ARG 206.A O no hydrogen 3.055 N/A ILE 203.A N GLU 111.A O no hydrogen 3.436 N/A ASN 205.A ND2 THR 68.A O no hydrogen 3.196 N/A ASN 205.A ND2 GLN 75.A O no hydrogen 2.754 N/A GLU 210.A N ILE 66.A O no hydrogen 3.042 N/A ASP 211.A N ASN 104.A O no hydrogen 2.837 N/A TRP 212.A N VAL 64.A O no hydrogen 2.880 N/A TRP 212.A NE1 GLU 210.A OE1 no hydrogen 2.979 N/A TYR 213.A N LYS 99.A O no hydrogen 2.881 N/A VAL 214.A N LEU 62.A O no hydrogen 2.779 N/A SER 215.A N SER 97.A O no hydrogen 2.850 N/A TYR 218.A N HIS 95.A O no hydrogen 3.111 N/A ILE 219.A N TRP 5.A O no hydrogen 2.917 N/A GLU 220.A N PHE 93.A O no hydrogen 3.028 N/A GLU 221.A N ARG 2.A O no hydrogen 2.842 N/A THR 225.A N GLU 220.A OE2 no hydrogen 2.865 N/A THR 225.A OG1 GLU 220.A OE1 no hydrogen 2.740 N/A GLN 227.A NE2 GLY 229.A O no hydrogen 3.059 N/A GLY 231.A N ILE 228.A O no hydrogen 3.085 N/A ALA 232.A N ASP 230.A OD1 no hydrogen 3.091 N/A ALA 234.A N GLY 231.A O no hydrogen 3.212 N/A