Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wx5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ILE 38.A O no hydrogen 2.964 N/A VAL 7.A N ILE 36.A O no hydrogen 2.823 N/A ARG 10.A NE VAL 27.A O no hydrogen 2.749 N/A ARG 10.A NH2 VAL 27.A O no hydrogen 3.380 N/A ARG 10.A NH2 TRP 28.A O no hydrogen 3.136 N/A TRP 11.A N ASP 9.A OD1 no hydrogen 2.999 N/A GLY 12.A N ASP 9.A O no hydrogen 2.934 N/A ARG 14.A N VAL 23.A O no hydrogen 2.938 N/A ARG 14.A NH1 SER 13.A O no hydrogen 2.973 N/A VAL 16.A N TYR 21.A O no hydrogen 3.062 N/A ALA 17.A N LEU 40.A O no hydrogen 3.013 N/A GLY 19.A N VAL 16.A O no hydrogen 2.879 N/A ARG 20.A N ALA 17.A O no hydrogen 3.192 N/A ARG 20.A NE TYR 21.A OH no hydrogen 3.083 N/A ARG 20.A NH2 VAL 224.A O no hydrogen 2.750 N/A TYR 21.A N VAL 16.A O no hydrogen 3.357 N/A ARG 22.A N TYR 65.A O no hydrogen 3.028 N/A ARG 22.A NE TYR 65.A OH no hydrogen 3.324 N/A ARG 22.A NH1 ASP 15.A OD1 no hydrogen 3.243 N/A VAL 23.A N ARG 14.A O no hydrogen 2.906 N/A ILE 24.A N ALA 63.A O no hydrogen 2.893 N/A ASN 25.A N GLY 12.A O no hydrogen 2.938 N/A ASN 25.A ND2 ASP 9.A O no hydrogen 3.041 N/A ASN 25.A ND2 GLN 34.A O no hydrogen 2.970 N/A ASN 26.A ND2 TYR 61.A O no hydrogen 2.910 N/A VAL 27.A N ARG 10.A O no hydrogen 2.959 N/A GLY 29.A N ALA 59.A O no hydrogen 2.809 N/A THR 32.A OG1 HIS 52.A ND1 no hydrogen 2.631 N/A GLN 34.A NE2 ASN 25.A O no hydrogen 2.984 N/A GLN 34.A NE2 ASN 25.A OD1 no hydrogen 2.675 N/A CYS 35.A N ARG 49.A O no hydrogen 2.864 N/A ILE 36.A N VAL 7.A O no hydrogen 2.953 N/A GLU 37.A N ILE 46.A O no hydrogen 2.887 N/A ILE 38.A N ALA 5.A O no hydrogen 2.770 N/A GLY 39.A N ASN 44.A O no hydrogen 2.735 N/A LEU 40.A N PRO 3.A O no hydrogen 2.922 N/A GLU 41.A N GLU 2.A OE1 no hydrogen 2.780 N/A THR 42.A N GLU 2.A OE1 no hydrogen 2.859 N/A THR 42.A OG1 GLU 2.A OE1 no hydrogen 3.289 N/A THR 42.A OG1 GLU 2.A OE2 no hydrogen 2.598 N/A GLY 43.A N GLY 39.A O no hydrogen 2.816 N/A ASN 44.A N THR 42.A OG1 no hydrogen 2.925 N/A PHE 45.A N SER 219.A O no hydrogen 2.920 N/A ILE 46.A N GLU 37.A O no hydrogen 3.013 N/A LEU 47.A N LEU 217.A O no hydrogen 2.894 N/A THR 48.A N CYS 35.A O no hydrogen 2.980 N/A THR 48.A OG1 CYS 35.A O no hydrogen 3.465 N/A ARG 49.A N CYS 35.A O no hydrogen 3.324 N/A ARG 49.A NE GLU 51.A OE2 no hydrogen 3.057 N/A ARG 49.A NH2 GLU 51.A OE1 no hydrogen 3.500 N/A ARG 49.A NH2 GLU 51.A OE2 no hydrogen 3.336 N/A GLU 51.A N ALA 33.A O no hydrogen 2.860 N/A HIS 52.A ND1 THR 32.A OG1 no hydrogen 2.631 N/A HIS 52.A NE2 GLN 34.A OE1 no hydrogen 2.804 N/A ASN 54.A N TRP 211.A O no hydrogen 3.016 N/A ASN 57.A N ASN 54.A O no hydrogen 3.263 N/A ALA 59.A N LEU 210.A O no hydrogen 2.753 N/A TYR 61.A N ASN 26.A O no hydrogen 3.023 N/A TYR 61.A OH ALA 106.A O no hydrogen 2.730 N/A ALA 63.A N ILE 24.A O no hydrogen 3.053 N/A ILE 64.A N THR 206.A O no hydrogen 2.842 N/A TYR 65.A N ARG 22.A O no hydrogen 2.914 N/A TYR 65.A OH ALA 72.A O no hydrogen 2.706 N/A LEU 66.A N VAL 204.A O no hydrogen 2.903 N/A GLY 67.A N THR 74.A OG1 no hydrogen 2.939 N/A CYS 68.A N HIS 202.A O no hydrogen 2.768 N/A HIS 69.A N ALA 72.A O no hydrogen 3.132 N/A HIS 69.A ND1 GLU 205.A OE2 no hydrogen 2.509 N/A TRP 70.A N TYR 121.A OH no hydrogen 2.890 N/A GLY 71.A N SER 117.A OG no hydrogen 2.835 N/A ALA 72.A N HIS 69.A O no hydrogen 3.042 N/A THR 74.A N GLY 67.A O no hydrogen 2.836 N/A THR 74.A OG1 GLY 67.A O no hydrogen 3.432 N/A SER 75.A N GLY 19.A O no hydrogen 2.862 N/A SER 75.A OG GLY 19.A O no hydrogen 3.205 N/A LEU 79.A N SER 77.A OG no hydrogen 2.936 N/A LEU 81.A N LEU 201.A O no hydrogen 3.177 N/A ARG 82.A NE THR 198.A O no hydrogen 2.826 N/A VAL 83.A N TRP 199.A O no hydrogen 2.851 N/A GLU 84.A N PRO 197.A O no hydrogen 2.885 N/A ALA 85.A N ARG 82.A O no hydrogen 2.832 N/A ILE 86.A N VAL 83.A O no hydrogen 3.152 N/A SER 87.A N THR 227.A O no hydrogen 2.792 N/A SER 87.A OG THR 227.A O no hydrogen 2.679 N/A ARG 88.A N THR 227.A O no hydrogen 3.073 N/A GLN 90.A N THR 225.A O no hydrogen 2.990 N/A SER 91.A N LEU 180.A O no hydrogen 3.028 N/A SER 91.A OG ASN 92.A O no hydrogen 3.503 N/A SER 91.A OG TYR 107.A OH no hydrogen 2.678 N/A SER 91.A OG SER 223.A O no hydrogen 2.633 N/A ASN 92.A N SER 223.A O no hydrogen 3.075 N/A TRP 93.A N VAL 177.A O no hydrogen 3.077 N/A TRP 93.A NE1 SER 219.A OG no hydrogen 2.696 N/A ARG 94.A N SER 220.A O no hydrogen 2.895 N/A ARG 94.A NE ASP 221.A OD2 no hydrogen 3.056 N/A LEU 95.A N THR 175.A O no hydrogen 2.853 N/A THR 96.A N LYS 218.A O no hydrogen 2.905 N/A ARG 102.A N GLU 212.A O no hydrogen 2.842 N/A ARG 102.A NE GLY 135.A O no hydrogen 3.182 N/A ARG 102.A NH1 ASP 56.A OD1 no hydrogen 3.021 N/A ARG 102.A NH2 GLY 135.A O no hydrogen 2.937 N/A TRP 103.A N ARG 134.A O no hydrogen 3.306 N/A TRP 103.A NE1 SER 100.A O no hydrogen 2.942 N/A ASN 104.A N GLU 209.A O no hydrogen 2.983 N/A ASN 104.A ND2 GLU 209.A OE1 no hydrogen 2.901 N/A ALA 105.A N ASN 132.A O no hydrogen 2.777 N/A ALA 106.A N GLY 207.A O no hydrogen 2.907 N/A TYR 107.A N ILE 129.A O no hydrogen 2.880 N/A TYR 107.A OH SER 91.A OG no hydrogen 2.678 N/A ASP 108.A N GLU 205.A O no hydrogen 2.877 N/A LEU 109.A N LEU 127.A O no hydrogen 2.741 N/A TRP 110.A N ALA 203.A O no hydrogen 3.177 N/A PHE 111.A N ALA 125.A O no hydrogen 2.907 N/A SER 112.A N TYR 200.A O no hydrogen 2.943 N/A SER 112.A OG SER 114.A O no hydrogen 3.496 N/A SER 112.A OG HIS 202.A NE2 no hydrogen 3.293 N/A SER 114.A N SER 112.A OG no hydrogen 3.089 N/A SER 114.A OG THR 116.A O no hydrogen 3.156 N/A SER 114.A OG THR 116.A OG1 no hydrogen 3.399 N/A THR 116.A N SER 114.A OG no hydrogen 3.040 N/A THR 116.A OG1 SER 114.A OG no hydrogen 3.399 N/A GLY 120.A N SER 117.A O no hydrogen 2.806 N/A TYR 121.A OH CYS 68.A O no hydrogen 2.815 N/A GLY 123.A N ASP 162.A O no hydrogen 2.783 N/A GLY 124.A N TYR 121.A O no hydrogen 2.904 N/A ALA 125.A N PHE 111.A O no hydrogen 2.987 N/A GLU 126.A N ASN 164.A O no hydrogen 2.720 N/A LEU 127.A N LEU 109.A O no hydrogen 2.828 N/A MET 128.A N ILE 166.A O no hydrogen 2.777 N/A ILE 129.A N TYR 107.A O no hydrogen 3.098 N/A TRP 130.A N TYR 168.A O no hydrogen 2.749 N/A LEU 131.A N ALA 105.A O no hydrogen 2.832 N/A ASN 132.A ND2 TRP 133.A O no hydrogen 3.475 N/A ARG 134.A N TRP 103.A O no hydrogen 2.937 N/A GLY 140.A N TYR 165.A OH no hydrogen 3.131 N/A ASN 142.A N PHE 158.A O no hydrogen 2.991 N/A ARG 143.A NE ALA 145.A O no hydrogen 2.933 N/A ARG 143.A NH2 THR 146.A OG1 no hydrogen 2.604 N/A VAL 144.A N VAL 156.A O no hydrogen 2.775 N/A VAL 147.A N TRP 154.A O no hydrogen 2.823 N/A LEU 149.A N ALA 152.A O no hydrogen 2.893 N/A ALA 152.A N LEU 149.A O no hydrogen 3.029 N/A TRP 154.A N VAL 147.A O no hydrogen 2.861 N/A TRP 154.A NE1 LEU 149.A O no hydrogen 2.864 N/A GLU 155.A N ARG 169.A O no hydrogen 2.910 N/A VAL 156.A N ALA 145.A O no hydrogen 2.809 N/A TRP 157.A N ALA 167.A O no hydrogen 2.833 N/A TRP 157.A NE1 GLU 155.A OE1 no hydrogen 2.957 N/A PHE 158.A N ASN 142.A O no hydrogen 2.922 N/A ALA 159.A N TYR 165.A O no hydrogen 2.866 N/A TRP 161.A N TRP 163.A O no hydrogen 3.005 N/A TRP 163.A NE1 GLU 126.A OE1 no hydrogen 2.900 N/A ASN 164.A N GLY 124.A O no hydrogen 2.838 N/A TYR 165.A N ALA 159.A O no hydrogen 2.913 N/A ILE 166.A N GLU 126.A O no hydrogen 2.789 N/A ALA 167.A N TRP 157.A O no hydrogen 2.863 N/A TYR 168.A N MET 128.A O no hydrogen 2.786 N/A TYR 168.A OH ASP 188.A OD2 no hydrogen 2.680 N/A ARG 169.A N GLU 155.A O no hydrogen 2.933 N/A ARG 169.A NH1 VAL 137.A O no hydrogen 3.046 N/A ARG 169.A NH2 VAL 137.A O no hydrogen 2.822 N/A ARG 170.A N TRP 130.A O no hydrogen 2.999 N/A ARG 170.A NH1 THR 172.A O no hydrogen 2.993 N/A THR 171.A N THR 153.A O no hydrogen 2.988 N/A THR 171.A OG1 THR 153.A O no hydrogen 3.384 N/A VAL 174.A N LEU 131.A O no hydrogen 2.852 N/A VAL 177.A N TRP 93.A O no hydrogen 2.951 N/A GLN 179.A N ASN 92.A OD1 no hydrogen 2.714 N/A LEU 180.A N SER 91.A O no hydrogen 2.803 N/A LYS 183.A N LEU 89.A O no hydrogen 3.387 N/A LYS 183.A NZ ASP 187.A OD1 no hydrogen 2.922 N/A LYS 183.A NZ ASP 187.A OD2 no hydrogen 3.159 N/A ALA 184.A N ASP 181.A O no hydrogen 3.276 N/A ALA 184.A N ASP 181.A OD1 no hydrogen 3.140 N/A ILE 186.A N LEU 182.A O no hydrogen 3.211 N/A ASP 187.A N LYS 183.A O no hydrogen 2.814 N/A ASP 188.A N ALA 184.A O no hydrogen 3.033 N/A ALA 189.A N PHE 185.A O no hydrogen 2.956 N/A VAL 190.A N ILE 186.A O no hydrogen 2.885 N/A ALA 191.A N ASP 187.A O no hydrogen 2.889 N/A ARG 192.A N ASP 188.A O no hydrogen 2.943 N/A ARG 192.A NE ASP 188.A OD1 no hydrogen 3.361 N/A ARG 192.A NE ASP 188.A OD2 no hydrogen 2.701 N/A ARG 192.A NH2 ASP 188.A OD1 no hydrogen 3.246 N/A GLY 193.A N VAL 190.A O no hydrogen 3.014 N/A TYR 194.A N ALA 189.A O no hydrogen 2.913 N/A ILE 195.A N ALA 189.A O no hydrogen 3.383 N/A SER 196.A OG THR 198.A OG1 no hydrogen 2.968 N/A THR 198.A N SER 196.A OG no hydrogen 3.200 N/A THR 198.A OG1 SER 196.A OG no hydrogen 2.968 N/A TRP 199.A N SER 196.A O no hydrogen 2.848 N/A TYR 200.A N SER 112.A O no hydrogen 2.790 N/A LEU 201.A N LEU 81.A O no hydrogen 2.914 N/A HIS 202.A N TRP 110.A O no hydrogen 2.765 N/A VAL 204.A N LEU 66.A O no hydrogen 2.856 N/A GLU 205.A N ASP 108.A O no hydrogen 2.988 N/A THR 206.A N ILE 64.A O no hydrogen 2.883 N/A THR 206.A OG1 ALA 106.A O no hydrogen 3.178 N/A GLY 207.A N ALA 106.A O no hydrogen 3.109 N/A PHE 208.A N PRO 62.A O no hydrogen 3.151 N/A GLU 209.A N ASN 104.A OD1 no hydrogen 2.922 N/A LEU 210.A N ALA 60.A O no hydrogen 2.854 N/A TRP 211.A N ARG 102.A O no hydrogen 2.857 N/A GLU 212.A N ARG 102.A O no hydrogen 3.028 N/A GLY 213.A N HIS 52.A O no hydrogen 2.939 N/A GLY 216.A N LEU 47.A O no hydrogen 2.644 N/A LEU 217.A N GLY 214.A O no hydrogen 3.092 N/A LYS 218.A N THR 96.A O no hydrogen 3.330 N/A SER 219.A N PHE 45.A O no hydrogen 2.790 N/A SER 220.A N ARG 94.A O no hydrogen 2.821 N/A ASP 221.A N ASN 44.A OD1 no hydrogen 2.906 N/A SER 223.A N ASN 92.A O no hydrogen 3.043 N/A VAL 224.A N TYR 21.A OH no hydrogen 3.033 N/A THR 225.A N GLN 90.A O no hydrogen 2.767 N/A THR 227.A N ARG 88.A O no hydrogen 2.817 N/A ARG 229.A N ALA 85.A O no hydrogen 2.945 N/A ARG 229.A NE GLU 84.A O no hydrogen 2.910 N/A