Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x22_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ASP 2.A OD1 no hydrogen 3.001 N/A SER 5.A N ASP 2.A OD2 no hydrogen 3.357 N/A SER 5.A OG ASP 2.A OD2 no hydrogen 2.699 N/A VAL 6.A N ASP 2.A O no hydrogen 3.293 N/A ALA 7.A N ILE 3.A O no hydrogen 3.051 N/A LEU 8.A N ILE 4.A O no hydrogen 3.018 N/A LYS 9.A N SER 5.A O no hydrogen 2.887 N/A LYS 9.A N VAL 6.A O no hydrogen 3.121 N/A ARG 10.A N VAL 6.A O no hydrogen 2.796 N/A HIS 11.A NE2 ASP 198.A OD2 no hydrogen 2.634 N/A THR 13.A N ALA 161.A O no hydrogen 3.251 N/A LYS 14.A N ASP 198.A OD1 no hydrogen 2.842 N/A ASP 17.A N HIS 193.A O no hydrogen 2.826 N/A SER 19.A N ASP 17.A OD1 no hydrogen 2.904 N/A LYS 20.A N ASP 17.A O no hydrogen 3.054 N/A LEU 22.A N SER 79.A OG no hydrogen 2.808 N/A THR 23.A N GLN 26.A OE1 no hydrogen 3.039 N/A GLN 26.A N THR 23.A OG1 no hydrogen 3.283 N/A ALA 27.A N THR 23.A O no hydrogen 2.944 N/A GLU 28.A N PRO 24.A O no hydrogen 3.217 N/A GLN 29.A N GLU 25.A O no hydrogen 2.826 N/A ILE 30.A N GLN 26.A O no hydrogen 3.076 N/A LYS 31.A NZ GLU 28.A OE2 no hydrogen 2.617 N/A THR 32.A N GLU 28.A O no hydrogen 3.060 N/A THR 32.A OG1 GLU 28.A O no hydrogen 3.165 N/A LEU 33.A N GLN 29.A O no hydrogen 3.138 N/A LEU 34.A N ILE 30.A O no hydrogen 3.233 N/A GLN 35.A N LYS 31.A O no hydrogen 3.134 N/A TYR 36.A N THR 32.A O no hydrogen 3.080 N/A SER 37.A OG PRO 38.A O no hydrogen 3.120 N/A SER 40.A N GLN 142.A OE1 no hydrogen 2.831 N/A THR 41.A OG1 SER 40.A O no hydrogen 2.445 N/A ASN 42.A N SER 39.A O no hydrogen 2.854 N/A ASN 42.A ND2 GLU 102.A OE2 no hydrogen 3.218 N/A SER 43.A N SER 40.A O no hydrogen 2.991 N/A SER 43.A OG SER 40.A O no hydrogen 2.785 N/A GLN 44.A N SER 39.A OG no hydrogen 2.937 N/A GLN 44.A NE2 ASN 42.A O no hydrogen 3.019 N/A TRP 46.A N GLN 44.A O no hydrogen 2.850 N/A HIS 47.A N CYS 85.A O no hydrogen 2.987 N/A ILE 49.A N VAL 83.A O no hydrogen 3.096 N/A ALA 51.A N VAL 81.A O no hydrogen 2.900 N/A GLY 56.A N THR 53.A OG1 no hydrogen 3.048 N/A LYS 57.A N THR 53.A O no hydrogen 2.993 N/A LYS 57.A NZ ALA 78.A O no hydrogen 2.814 N/A ALA 58.A N GLU 54.A O no hydrogen 3.069 N/A ARG 59.A N GLU 55.A O no hydrogen 3.042 N/A ARG 59.A NE GLU 175.A OE2 no hydrogen 2.966 N/A ARG 59.A NH1 GLU 175.A O no hydrogen 3.077 N/A VAL 60.A N GLY 56.A O no hydrogen 3.255 N/A ALA 61.A N LYS 57.A O no hydrogen 2.948 N/A LYS 62.A N ARG 59.A O no hydrogen 3.331 N/A SER 63.A N VAL 60.A O no hydrogen 3.099 N/A SER 63.A OG VAL 60.A O no hydrogen 2.698 N/A ALA 64.A N ALA 61.A O no hydrogen 3.063 N/A TYR 68.A N ALA 65.A O no hydrogen 3.309 N/A SER 71.A N TYR 68.A O no hydrogen 3.396 N/A SER 71.A OG TYR 68.A O no hydrogen 2.966 N/A SER 71.A OG GLY 166.A O no hydrogen 2.763 N/A GLU 72.A N VAL 69.A O no hydrogen 3.089 N/A MET 75.A N SER 71.A O no hydrogen 3.345 N/A LEU 76.A N GLU 72.A O no hydrogen 3.081 N/A ASP 77.A N ARG 73.A O no hydrogen 2.682 N/A ALA 78.A N LYS 74.A O no hydrogen 3.317 N/A SER 79.A OG HIS 80.A ND1 no hydrogen 2.860 N/A HIS 80.A N VAL 191.A O no hydrogen 3.009 N/A HIS 80.A ND1 SER 79.A OG no hydrogen 2.860 N/A VAL 81.A N ALA 51.A O no hydrogen 2.865 N/A VAL 82.A N VAL 189.A O no hydrogen 2.963 N/A VAL 83.A N ILE 49.A O no hydrogen 2.851 N/A PHE 84.A N VAL 187.A O no hydrogen 2.863 N/A CYS 85.A N HIS 47.A O no hydrogen 2.884 N/A CYS 85.A SG VAL 83.A O no hydrogen 3.716 N/A ALA 86.A N THR 184.A O no hydrogen 2.911 N/A LYS 87.A N PRO 45.A O no hydrogen 3.071 N/A LYS 87.A NZ ASP 91.A OD1 no hydrogen 3.125 N/A THR 88.A N GLY 182.A O no hydrogen 2.718 N/A THR 88.A OG1 GLY 182.A O no hydrogen 2.947 N/A MET 90.A N ASP 135.A OD2 no hydrogen 3.325 N/A TRP 94.A N ASP 91.A O no hydrogen 3.231 N/A TRP 94.A N ASP 91.A OD2 no hydrogen 3.220 N/A TRP 94.A NE1 SER 43.A O no hydrogen 2.823 N/A LEU 95.A N ASP 91.A O no hydrogen 3.293 N/A LYS 96.A N ASP 92.A O no hydrogen 2.892 N/A LYS 96.A NZ ASP 100.A OD1 no hydrogen 3.467 N/A LEU 97.A N VAL 93.A O no hydrogen 2.883 N/A VAL 98.A N TRP 94.A O no hydrogen 3.003 N/A VAL 99.A N LEU 95.A O no hydrogen 3.255 N/A ASP 100.A N LYS 96.A O no hydrogen 3.051 N/A GLN 101.A N LEU 97.A O no hydrogen 3.208 N/A GLN 101.A NE2 ASP 105.A OD2 no hydrogen 2.907 N/A GLU 102.A N VAL 98.A O no hydrogen 3.044 N/A ASP 103.A N VAL 99.A O no hydrogen 2.910 N/A ALA 104.A N ASP 100.A O no hydrogen 2.893 N/A ASP 105.A N GLN 101.A O no hydrogen 2.884 N/A GLY 106.A N ASP 103.A O no hydrogen 3.186 N/A ARG 107.A N GLU 102.A O no hydrogen 3.073 N/A ALA 113.A N THR 110.A OG1 no hydrogen 3.281 N/A LYS 114.A N THR 110.A O no hydrogen 3.324 N/A LYS 114.A NZ ASP 100.A OD1 no hydrogen 3.229 N/A LYS 114.A NZ ASP 103.A OD2 no hydrogen 2.520 N/A ALA 115.A N PRO 111.A O no hydrogen 3.008 N/A ALA 116.A N GLU 112.A O no hydrogen 2.836 N/A ASN 117.A N ALA 113.A O no hydrogen 2.914 N/A ASP 118.A N LYS 114.A O no hydrogen 3.032 N/A LYS 119.A N ALA 115.A O no hydrogen 3.068 N/A LYS 119.A NZ ASP 118.A OD2 no hydrogen 3.527 N/A GLY 120.A N ALA 116.A O no hydrogen 3.044 N/A ARG 121.A N ASN 117.A O no hydrogen 3.138 N/A ARG 121.A NE THR 41.A O no hydrogen 2.653 N/A ARG 121.A NH1 ASN 117.A OD1 no hydrogen 2.822 N/A ARG 121.A NH2 THR 41.A O no hydrogen 3.001 N/A ARG 121.A NH2 GLU 102.A OE1 no hydrogen 2.945 N/A ARG 121.A NH2 ASN 117.A OD1 no hydrogen 3.290 N/A LYS 122.A N ASP 118.A O no hydrogen 3.049 N/A ALA 123.A N LYS 119.A O no hydrogen 3.114 N/A TRP 124.A N GLY 120.A O no hydrogen 3.407 N/A ALA 125.A N ARG 121.A O no hydrogen 2.895 N/A ASP 126.A N LYS 122.A O no hydrogen 2.751 N/A MET 127.A N ALA 123.A O no hydrogen 2.905 N/A HIS 128.A N TRP 124.A O no hydrogen 3.095 N/A HIS 128.A N ALA 125.A O no hydrogen 3.163 N/A HIS 128.A ND1 ASP 134.A OD1 no hydrogen 2.890 N/A ARG 129.A N ALA 125.A O no hydrogen 2.892 N/A ARG 129.A NE ASP 126.A OD1 no hydrogen 2.957 N/A ARG 129.A NH1 MET 90.A O no hydrogen 2.502 N/A ARG 129.A NH1 ASP 92.A OD1 no hydrogen 3.368 N/A ARG 129.A NH2 ASP 92.A OD1 no hydrogen 2.526 N/A ARG 129.A NH2 ASP 126.A OD1 no hydrogen 3.256 N/A ASP 131.A N ASP 126.A O no hydrogen 3.341 N/A LEU 132.A N MET 127.A O no hydrogen 2.977 N/A ASP 134.A N HIS 128.A O no hydrogen 2.897 N/A TRP 138.A N ASP 134.A O no hydrogen 2.714 N/A MET 139.A N ASP 135.A O no hydrogen 2.933 N/A ALA 140.A N ALA 136.A O no hydrogen 3.164 N/A LYS 141.A N GLU 137.A O no hydrogen 3.053 N/A GLN 142.A NE2 TRP 138.A O no hydrogen 3.097 N/A VAL 143.A N MET 139.A O no hydrogen 3.257 N/A TYR 144.A N ALA 140.A O no hydrogen 3.076 N/A TYR 144.A OH GLU 165.A OE2 no hydrogen 2.311 N/A LEU 145.A N LYS 141.A O no hydrogen 3.084 N/A ASN 146.A N GLN 142.A O no hydrogen 3.046 N/A ASN 146.A ND2 LEU 34.A O no hydrogen 2.990 N/A VAL 147.A N VAL 143.A O no hydrogen 2.865 N/A GLY 148.A N TYR 144.A O no hydrogen 3.024 N/A ASN 149.A N LEU 145.A O no hydrogen 3.037 N/A PHE 150.A N ASN 146.A O no hydrogen 2.844 N/A LEU 151.A N VAL 147.A O no hydrogen 2.881 N/A LEU 152.A N GLY 148.A O no hydrogen 3.411 N/A GLY 153.A N ASN 149.A O no hydrogen 3.051 N/A VAL 154.A N PHE 150.A O no hydrogen 2.991 N/A ALA 155.A N LEU 151.A O no hydrogen 3.331 N/A ALA 156.A N LEU 152.A O no hydrogen 3.079 N/A LEU 157.A N GLY 153.A O no hydrogen 3.114 N/A LEU 157.A N VAL 154.A O no hydrogen 3.101 N/A GLY 158.A N ALA 155.A O no hydrogen 3.076 N/A LEU 159.A N VAL 154.A O no hydrogen 2.870 N/A ASP 160.A N GLY 192.A O no hydrogen 2.709 N/A VAL 162.A N PRO 190.A O no hydrogen 3.235 N/A ILE 164.A N VAL 188.A O no hydrogen 2.633 N/A PHE 167.A N GLU 165.A O no hydrogen 2.922 N/A ASP 168.A N SER 63.A O no hydrogen 2.592 N/A ILE 171.A N ASP 168.A OD1 no hydrogen 3.305 N/A LEU 172.A N ASP 168.A O no hydrogen 3.008 N/A ASP 173.A N ALA 169.A O no hydrogen 2.841 N/A ALA 174.A N ALA 170.A O no hydrogen 3.100 N/A GLU 175.A N ILE 171.A O no hydrogen 2.917 N/A PHE 176.A N LEU 172.A O no hydrogen 3.420 N/A GLY 177.A N ALA 174.A O no hydrogen 3.237 N/A LEU 178.A N ASP 173.A O no hydrogen 2.828 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.768 N/A LYS 181.A N LEU 178.A O no hydrogen 3.102 N/A LYS 181.A NZ GLY 177.A O no hydrogen 3.557 N/A GLY 182.A N LYS 179.A O no hydrogen 3.218 N/A TYR 183.A N LEU 178.A O no hydrogen 2.840 N/A THR 184.A N ALA 86.A O no hydrogen 2.837 N/A THR 184.A OG1 ASP 173.A OD2 no hydrogen 2.943 N/A SER 185.A N ASP 173.A OD1 no hydrogen 2.785 N/A SER 185.A OG ALA 169.A O no hydrogen 3.534 N/A SER 185.A OG ASP 173.A OD1 no hydrogen 2.935 N/A LEU 186.A N PHE 84.A O no hydrogen 2.900 N/A VAL 188.A N ILE 164.A O no hydrogen 2.913 N/A VAL 189.A N VAL 82.A O no hydrogen 2.738 N/A VAL 191.A N HIS 80.A O no hydrogen 2.672 N/A GLY 192.A N ASP 160.A O no hydrogen 2.779 N/A HIS 194.A N ASP 160.A OD2 no hydrogen 2.695 N/A HIS 194.A ND1 ASP 160.A OD2 no hydrogen 2.697 N/A SER 195.A N ALA 15.A O no hydrogen 3.027 N/A SER 195.A OG GLU 197.A OE1 no hydrogen 3.513 N/A GLU 197.A N SER 195.A OG no hydrogen 3.403 N/A ASP 198.A N SER 195.A O no hydrogen 3.049 N/A ASN 200.A N ASP 198.A OD1 no hydrogen 3.177 N/A ASN 200.A ND2 SER 12.A O no hydrogen 2.531 N/A ALA 201.A N ASP 198.A O no hydrogen 3.246 N/A THR 202.A OG1 PHE 199.A O no hydrogen 3.487 N/A LYS 205.A NZ ARG 10.A O no hydrogen 2.897 N/A ARG 207.A NH1 SER 206.A O no hydrogen 2.989 N/A ILE 212.A N PRO 209.A O no hydrogen 3.219 N/A THR 213.A OG1 PRO 209.A O no hydrogen 3.506 N/A LEU 214.A N GLN 210.A O no hydrogen 2.793 N/A