Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qpp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ARG 1.A O no hydrogen 3.420 N/A SER 6.A N ASN 179.A OD1 no hydrogen 2.994 N/A SER 6.A OG ASN 179.A OD1 no hydrogen 3.326 N/A LEU 8.A N ASP 4.A O no hydrogen 3.027 N/A LEU 9.A N LEU 5.A O no hydrogen 2.811 N/A LYS 10.A N SER 6.A O no hydrogen 3.227 N/A GLU 11.A N GLU 7.A O no hydrogen 2.874 N/A GLY 12.A N LEU 8.A O no hydrogen 2.875 N/A THR 13.A N LEU 9.A O no hydrogen 2.997 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.547 N/A LYS 14.A N GLU 11.A O no hydrogen 3.372 N/A HIS 17.A N THR 13.A O no hydrogen 2.912 N/A ASP 18.A N LYS 14.A O no hydrogen 2.991 N/A ARG 19.A N GLU 15.A O no hydrogen 3.077 N/A ALA 20.A N ALA 16.A O no hydrogen 2.947 N/A GLU 21.A N HIS 17.A O no hydrogen 2.829 N/A ASN 22.A N ASP 18.A O no hydrogen 3.186 N/A ASN 22.A N ARG 19.A O no hydrogen 3.290 N/A ASN 22.A ND2 ASP 18.A O no hydrogen 2.871 N/A GLN 24.A NE2 ASP 28.A OD2 no hydrogen 2.830 N/A LYS 27.A N THR 23.A O no hydrogen 3.092 N/A ASP 28.A N GLN 24.A O no hydrogen 2.904 N/A PHE 29.A N PHE 25.A O no hydrogen 2.832 N/A LEU 30.A N VAL 26.A O no hydrogen 3.080 N/A LYS 31.A N LYS 27.A O no hydrogen 3.194 N/A GLY 32.A N PHE 29.A O no hydrogen 2.858 N/A ASN 33.A N ASP 28.A O no hydrogen 2.890 N/A PHE 39.A N LYS 35.A O no hydrogen 2.969 N/A LYS 40.A N LYS 36.A O no hydrogen 2.933 N/A LYS 40.A NZ GLU 37.A OE1 no hydrogen 3.078 N/A LYS 40.A NZ GLU 37.A OE2 no hydrogen 2.859 N/A LEU 41.A N GLU 37.A O no hydrogen 3.035 N/A ALA 42.A N LEU 38.A O no hydrogen 2.969 N/A THR 43.A N PHE 39.A O no hydrogen 2.908 N/A THR 43.A OG1 PHE 39.A O no hydrogen 2.805 N/A THR 44.A N LYS 40.A O no hydrogen 3.141 N/A THR 44.A OG1 LYS 40.A O no hydrogen 2.641 N/A ALA 45.A N LEU 41.A O no hydrogen 3.043 N/A LEU 46.A N ALA 42.A O no hydrogen 3.074 N/A TYR 47.A N THR 43.A O no hydrogen 2.819 N/A PHE 48.A N THR 44.A O no hydrogen 3.264 N/A THR 49.A N ALA 45.A O no hydrogen 3.037 N/A THR 49.A OG1 ALA 45.A O no hydrogen 2.861 N/A TYR 50.A N LEU 46.A O no hydrogen 2.866 N/A TYR 50.A OH ASP 132.A OD2 no hydrogen 2.363 N/A SER 51.A N TYR 47.A O no hydrogen 2.969 N/A SER 51.A OG TYR 47.A O no hydrogen 2.618 N/A ALA 52.A N PHE 48.A O no hydrogen 3.097 N/A LEU 53.A N THR 49.A O no hydrogen 2.938 N/A GLU 54.A N TYR 50.A O no hydrogen 2.817 N/A GLU 55.A N SER 51.A O no hydrogen 2.910 N/A GLU 56.A N ALA 52.A O no hydrogen 3.071 N/A MET 57.A N LEU 53.A O no hydrogen 2.970 N/A GLU 58.A N GLU 54.A O no hydrogen 3.118 N/A ARG 59.A N GLU 55.A O no hydrogen 2.953 N/A ARG 59.A NE GLU 56.A OE1 no hydrogen 2.696 N/A ARG 59.A NH2 GLU 56.A OE1 no hydrogen 3.379 N/A ARG 59.A NH2 GLU 56.A OE2 no hydrogen 2.715 N/A ASN 60.A N GLU 56.A O no hydrogen 3.073 N/A ASN 60.A ND2 GLU 56.A O no hydrogen 2.866 N/A ASN 60.A ND2 GLY 114.A O no hydrogen 2.923 N/A HIS 63.A N ASN 60.A O no hydrogen 2.846 N/A ALA 65.A N HIS 63.A ND1 no hydrogen 3.143 N/A PHE 66.A N HIS 63.A O no hydrogen 2.890 N/A ALA 67.A N HIS 63.A O no hydrogen 2.658 N/A LEU 69.A N PHE 66.A O no hydrogen 2.759 N/A TYR 70.A N ALA 67.A O no hydrogen 3.020 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.816 N/A LEU 75.A N PHE 71.A O no hydrogen 2.933 N/A ARG 77.A N GLU 54.A OE2 no hydrogen 2.650 N/A ARG 77.A NE PHE 158.A O no hydrogen 3.150 N/A ARG 77.A NH1 LEU 75.A O no hydrogen 3.563 N/A ARG 77.A NH1 HIS 76.A O no hydrogen 3.211 N/A ARG 77.A NH2 PHE 158.A O no hydrogen 3.028 N/A ARG 77.A NH2 LEU 160.A O no hydrogen 2.555 N/A LYS 78.A N GLU 54.A OE1 no hydrogen 2.937 N/A LEU 81.A N ARG 77.A O no hydrogen 2.817 N/A THR 82.A N LYS 78.A O no hydrogen 2.930 N/A THR 82.A OG1 LYS 78.A O no hydrogen 2.778 N/A LYS 83.A N GLU 79.A O no hydrogen 3.217 N/A ASP 84.A N ALA 80.A O no hydrogen 3.115 N/A MET 85.A N LEU 81.A O no hydrogen 2.854 N/A GLU 86.A N THR 82.A O no hydrogen 2.908 N/A TYR 87.A N LYS 83.A O no hydrogen 2.997 N/A PHE 88.A N ASP 84.A O no hydrogen 3.157 N/A PHE 89.A N MET 85.A O no hydrogen 2.984 N/A GLY 90.A N GLU 86.A O no hydrogen 2.916 N/A GLN 96.A N TRP 93.A O no hydrogen 3.160 N/A GLN 96.A NE2 PHE 89.A O no hydrogen 2.975 N/A GLN 96.A NE2 ASN 92.A O no hydrogen 3.391 N/A GLN 96.A NE2 ASN 92.A OD1 no hydrogen 3.132 N/A VAL 97.A N GLU 94.A O no hydrogen 3.374 N/A ALA 102.A N GLU 208.A OE1 no hydrogen 3.107 N/A GLN 104.A N PRO 100.A O no hydrogen 3.074 N/A GLN 104.A NE2 ALA 99.A O no hydrogen 3.156 N/A LYS 105.A N LYS 101.A O no hydrogen 3.395 N/A TYR 106.A N ALA 102.A O no hydrogen 3.344 N/A VAL 107.A N ALA 103.A O no hydrogen 2.841 N/A GLU 108.A N GLN 104.A O no hydrogen 2.766 N/A ARG 109.A N LYS 105.A O no hydrogen 2.983 N/A ARG 109.A NE GLU 194.A OE2 no hydrogen 2.843 N/A ARG 109.A NH2 GLU 194.A OE1 no hydrogen 2.625 N/A ARG 109.A NH2 GLU 194.A OE2 no hydrogen 3.326 N/A ILE 110.A N TYR 106.A O no hydrogen 2.956 N/A HIS 111.A N VAL 107.A O no hydrogen 3.022 N/A HIS 111.A ND1 GLU 56.A OE2 no hydrogen 2.684 N/A TYR 112.A N GLU 108.A O no hydrogen 3.104 N/A TYR 112.A OH GLU 117.A OE2 no hydrogen 3.307 N/A ILE 113.A N ARG 109.A O no hydrogen 2.929 N/A GLY 114.A N ILE 110.A O no hydrogen 2.933 N/A GLN 115.A N HIS 111.A O no hydrogen 2.910 N/A GLN 115.A N TYR 112.A O no hydrogen 3.161 N/A ASN 116.A N TYR 112.A O no hydrogen 2.762 N/A ASN 116.A ND2 TYR 112.A O no hydrogen 2.918 N/A GLU 117.A N ILE 113.A O no hydrogen 2.961 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.918 N/A LEU 120.A N GLU 117.A O no hydrogen 3.038 N/A LEU 121.A N PRO 118.A O no hydrogen 3.263 N/A ALA 123.A N LEU 120.A O no hydrogen 3.134 N/A HIS 124.A N LEU 121.A O no hydrogen 2.979 N/A HIS 124.A NE2 GLU 194.A OE2 no hydrogen 2.983 N/A ALA 125.A N LEU 121.A O no hydrogen 3.148 N/A TYR 126.A N VAL 122.A O no hydrogen 2.779 N/A THR 127.A N ALA 123.A O no hydrogen 3.164 N/A THR 127.A OG1 ALA 123.A O no hydrogen 2.769 N/A THR 127.A OG1 ALA 195.A O no hydrogen 3.502 N/A ARG 128.A N HIS 124.A O no hydrogen 3.199 N/A ARG 128.A NE ASN 202.A OD1 no hydrogen 3.065 N/A ARG 128.A NH1 TYR 50.A OH no hydrogen 3.064 N/A ARG 128.A NH2 ASN 202.A OD1 no hydrogen 2.697 N/A TYR 129.A N ALA 125.A O no hydrogen 2.854 N/A TYR 129.A OH GLU 54.A OE2 no hydrogen 2.545 N/A MET 130.A N TYR 126.A O no hydrogen 3.215 N/A ASP 132.A N ARG 128.A O no hydrogen 2.992 N/A LEU 133.A N TYR 129.A O no hydrogen 2.900 N/A SER 134.A N GLY 131.A O no hydrogen 2.983 N/A SER 134.A OG MET 130.A O no hydrogen 2.720 N/A GLY 135.A N GLY 131.A O no hydrogen 3.253 N/A GLY 136.A N ASP 132.A O no hydrogen 3.222 N/A LEU 139.A N GLY 135.A O no hydrogen 2.995 N/A LYS 140.A N GLY 136.A O no hydrogen 2.829 N/A LYS 141.A N GLN 137.A O no hydrogen 3.232 N/A VAL 142.A N VAL 138.A O no hydrogen 2.946 N/A ALA 143.A N LEU 139.A O no hydrogen 2.885 N/A GLN 144.A N LYS 140.A O no hydrogen 2.891 N/A GLN 144.A NE2 THR 156.A OG1 no hydrogen 3.224 N/A ARG 145.A N LYS 141.A O no hydrogen 3.147 N/A ALA 146.A N VAL 142.A O no hydrogen 2.977 N/A LEU 147.A N ALA 143.A O no hydrogen 3.073 N/A LEU 149.A N GLN 144.A O no hydrogen 2.986 N/A THR 152.A OG1 GLU 154.A OE1 no hydrogen 2.554 N/A GLY 153.A N PRO 150.A O no hydrogen 3.491 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.925 N/A THR 156.A N GLY 153.A O no hydrogen 3.075 N/A THR 156.A OG1 GLY 153.A O no hydrogen 3.235 N/A GLN 157.A N ASP 84.A OD1 no hydrogen 3.148 N/A PHE 158.A N ASP 84.A OD2 no hydrogen 3.009 N/A TYR 159.A N THR 156.A O no hydrogen 2.935 N/A LEU 160.A N GLN 157.A O no hydrogen 3.269 N/A ASN 163.A ND2 MET 73.A O no hydrogen 2.773 N/A VAL 164.A N PHE 161.A O no hydrogen 3.245 N/A GLN 169.A N ASN 166.A OD1 no hydrogen 3.389 N/A PHE 170.A N ASN 166.A O no hydrogen 2.911 N/A LYS 171.A N ALA 167.A O no hydrogen 2.888 N/A LYS 171.A NZ SER 134.A OG no hydrogen 3.238 N/A LYS 171.A NZ GLN 168.A OE1 no hydrogen 3.228 N/A GLN 172.A N.A GLN 168.A O no hydrogen 3.281 N/A GLN 172.A N.B GLN 168.A O no hydrogen 3.270 N/A LEU 173.A N GLN 169.A O no hydrogen 3.000 N/A TYR 174.A N PHE 170.A O no hydrogen 2.916 N/A ARG 175.A N LYS 171.A O no hydrogen 2.952 N/A ALA 176.A N GLN 172.A O.A no hydrogen 3.102 N/A ALA 176.A N GLN 172.A O.B no hydrogen 3.050 N/A ARG 177.A N LEU 173.A O no hydrogen 3.017 N/A ARG 177.A NH1 PRO 68.A O no hydrogen 3.010 N/A MET 178.A N TYR 174.A O no hydrogen 2.905 N/A ASN 179.A N ARG 175.A O no hydrogen 2.966 N/A ASN 179.A ND2 SER 6.A OG no hydrogen 3.249 N/A ALA 180.A N ARG 177.A O no hydrogen 3.232 N/A THR 187.A N ASN 184.A OD1 no hydrogen 2.932 N/A THR 187.A OG1 ASN 184.A OD1 no hydrogen 2.651 N/A LYS 188.A N ASN 184.A O no hydrogen 3.159 N/A LYS 188.A NZ ALA 3.A O no hydrogen 3.154 N/A GLU 189.A N MET 185.A O no hydrogen 3.133 N/A ARG 190.A N LYS 186.A O no hydrogen 3.220 N/A ARG 190.A NH2 GLU 117.A OE1 no hydrogen 2.813 N/A ARG 190.A NH2 GLU 119.A OE2 no hydrogen 3.056 N/A ILE 191.A N THR 187.A O no hydrogen 2.818 N/A VAL 192.A N LYS 188.A O no hydrogen 3.088 N/A GLU 193.A N GLU 189.A O no hydrogen 3.177 N/A GLU 194.A N ARG 190.A O no hydrogen 3.112 N/A ALA 195.A N ILE 191.A O no hydrogen 2.926 N/A ASN 196.A N VAL 192.A O no hydrogen 3.088 N/A ASN 196.A ND2 GLY 12.A O no hydrogen 3.029 N/A ASN 196.A ND2 VAL 192.A O no hydrogen 3.040 N/A LYS 197.A N GLU 193.A O no hydrogen 2.992 N/A ALA 198.A N GLU 194.A O no hydrogen 2.779 N/A PHE 199.A N ALA 195.A O no hydrogen 3.135 N/A GLU 200.A N ASN 196.A O no hydrogen 3.164 N/A TYR 201.A N LYS 197.A O no hydrogen 2.896 N/A ASN 202.A N ALA 198.A O no hydrogen 3.256 N/A ASN 202.A ND2 TYR 106.A OH no hydrogen 2.975 N/A ASN 202.A ND2 ALA 198.A O no hydrogen 2.660 N/A MET 203.A N PHE 199.A O no hydrogen 2.859 N/A GLN 204.A N GLU 200.A O no hydrogen 2.894 N/A GLN 204.A NE2 GLU 200.A OE2 no hydrogen 2.927 N/A ILE 205.A N TYR 201.A O no hydrogen 3.166 N/A PHE 206.A N ASN 202.A O no hydrogen 2.852 N/A ASN 207.A N MET 203.A O no hydrogen 2.773 N/A ASN 207.A ND2 GLN 204.A OE1 no hydrogen 3.266 N/A GLU 208.A N GLN 204.A O no hydrogen 2.927 N/A LEU 209.A N ILE 205.A O no hydrogen 2.860 N/A ASP 210.A N PHE 206.A O no hydrogen 3.066 N/A GLN 211.A N ASN 207.A O no hydrogen 3.224 N/A ALA 212.A N GLU 208.A O no hydrogen 3.130 N/A GLY 213.A N LEU 209.A O no hydrogen 3.216 N/A SER 214.A N ASP 210.A O no hydrogen 3.308 N/A SER 214.A OG GLN 211.A O no hydrogen 3.046 N/A