Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N SER 1.A O no hydrogen 3.040 N/A SER 5.A N GLN 2.A O no hydrogen 3.400 N/A LYS 7.A N SER 5.A OG no hydrogen 3.213 N/A ALA 8.A N GLY 32.A O no hydrogen 3.233 N/A LYS 9.A N LEU 6.A O no hydrogen 3.044 N/A THR 10.A N ASP 88.A OD2 no hydrogen 3.144 N/A THR 10.A OG1 LYS 86.A O no hydrogen 3.547 N/A THR 10.A OG1 ASP 88.A OD2 no hydrogen 3.327 N/A VAL 11.A N VAL 34.A O no hydrogen 2.703 N/A LEU 12.A N ILE 89.A O no hydrogen 3.091 N/A VAL 13.A N HIS 36.A O no hydrogen 2.994 N/A THR 14.A N ILE 91.A O no hydrogen 3.496 N/A THR 14.A OG1 ILE 91.A O no hydrogen 3.450 N/A THR 14.A OG1 ASN 93.A O no hydrogen 2.892 N/A LYS 18.A NZ GLY 15.A O no hydrogen 3.515 N/A HIS 22.A N LYS 18.A O no hydrogen 3.106 N/A ALA 23.A N GLY 19.A O no hydrogen 3.253 N/A ILE 24.A N ILE 20.A O no hydrogen 2.727 N/A VAL 25.A N GLY 21.A O no hydrogen 2.924 N/A GLU 26.A N HIS 22.A O no hydrogen 3.048 N/A GLU 27.A N ALA 23.A O no hydrogen 2.886 N/A PHE 28.A N ILE 24.A O no hydrogen 2.983 N/A ALA 29.A N VAL 25.A O no hydrogen 2.788 N/A GLY 30.A N GLU 26.A O no hydrogen 2.680 N/A GLY 30.A N GLU 27.A O no hydrogen 3.054 N/A PHE 31.A N GLU 27.A O no hydrogen 3.285 N/A PHE 31.A N PHE 28.A O no hydrogen 3.051 N/A GLY 32.A N ALA 29.A O no hydrogen 2.965 N/A ALA 33.A N PHE 28.A O no hydrogen 3.080 N/A VAL 34.A N LYS 9.A O no hydrogen 3.030 N/A ILE 35.A N GLN 58.A O no hydrogen 3.188 N/A HIS 36.A N VAL 11.A O no hydrogen 2.688 N/A HIS 36.A ND1 THR 60.A OG1 no hydrogen 2.906 N/A HIS 36.A NE2 SER 62.A OG no hydrogen 2.997 N/A THR 37.A N THR 60.A O no hydrogen 2.876 N/A THR 37.A OG1 VAL 13.A O no hydrogen 2.662 N/A ALA 39.A N SER 62.A O no hydrogen 3.211 N/A TYR 43.A N ASN 41.A OD1 no hydrogen 2.807 N/A GLU 44.A N ASN 41.A OD1 no hydrogen 2.871 N/A LEU 45.A N ASN 41.A O no hydrogen 3.118 N/A ASN 46.A N GLU 42.A O no hydrogen 3.258 N/A GLU 47.A N TYR 43.A O no hydrogen 2.888 N/A CYS 48.A N GLU 44.A O no hydrogen 2.837 N/A CYS 48.A SG THR 17.A O no hydrogen 3.552 N/A CYS 48.A SG HIS 22.A ND1 no hydrogen 3.770 N/A CYS 48.A SG GLU 44.A O no hydrogen 3.382 N/A LEU 49.A N LEU 45.A O no hydrogen 2.699 N/A SER 50.A N ASN 46.A O no hydrogen 2.879 N/A LYS 51.A N GLU 47.A O no hydrogen 3.415 N/A TRP 52.A N CYS 48.A O no hydrogen 2.959 N/A TRP 52.A NE1 GLU 26.A OE1 no hydrogen 2.831 N/A GLN 53.A N LEU 49.A O no hydrogen 3.011 N/A LYS 54.A N SER 50.A O no hydrogen 3.239 N/A LYS 55.A N TRP 52.A O no hydrogen 2.791 N/A GLY 56.A N GLN 53.A O no hydrogen 3.206 N/A PHE 57.A N TRP 52.A O no hydrogen 3.160 N/A THR 60.A N ILE 35.A O no hydrogen 2.908 N/A THR 60.A OG1 HIS 36.A ND1 no hydrogen 2.906 N/A SER 62.A N THR 37.A O no hydrogen 3.088 N/A SER 62.A OG HIS 36.A NE2 no hydrogen 2.997 N/A CYS 64.A N ALA 39.A O no hydrogen 3.250 N/A CYS 64.A SG GLU 71.A O no hydrogen 3.348 N/A SER 67.A N ASP 65.A OD2 no hydrogen 3.255 N/A SER 67.A OG ASP 65.A OD2 no hydrogen 2.521 N/A LEU 68.A N ASP 65.A O no hydrogen 2.717 N/A ARG 72.A N LEU 68.A O no hydrogen 2.968 N/A ARG 72.A NE HIS 117.A ND1 no hydrogen 2.953 N/A ARG 72.A NH1 GLU 113.A OE2 no hydrogen 3.025 N/A ARG 72.A NH1 HIS 117.A ND1 no hydrogen 3.418 N/A ARG 72.A NH2 ALA 66.A O no hydrogen 2.985 N/A GLU 73.A N ARG 69.A O no hydrogen 3.011 N/A LYS 74.A N PRO 70.A O no hydrogen 2.990 N/A LEU 75.A N GLU 71.A O no hydrogen 2.839 N/A MET 76.A N ARG 72.A O no hydrogen 3.141 N/A GLN 77.A N GLU 73.A O no hydrogen 3.178 N/A THR 78.A N LYS 74.A O no hydrogen 2.973 N/A THR 78.A OG1 LYS 74.A O no hydrogen 3.034 N/A VAL 79.A N LEU 75.A O no hydrogen 2.991 N/A SER 80.A N MET 76.A O no hydrogen 2.983 N/A SER 81.A N GLN 77.A O no hydrogen 3.221 N/A SER 81.A OG GLN 77.A O no hydrogen 3.420 N/A SER 81.A OG THR 78.A O no hydrogen 3.445 N/A PHE 83.A N VAL 79.A O no hydrogen 2.956 N/A PHE 83.A N SER 80.A O no hydrogen 3.143 N/A GLY 85.A N SER 80.A O no hydrogen 2.705 N/A LEU 87.A N LEU 125.A O no hydrogen 2.840 N/A ASP 88.A N THR 10.A OG1 no hydrogen 3.159 N/A ILE 89.A N THR 10.A O no hydrogen 2.997 N/A LEU 90.A N ASN 133.A O no hydrogen 2.858 N/A ILE 91.A N LEU 12.A O no hydrogen 2.879 N/A ASN 92.A N ILE 135.A O no hydrogen 2.890 N/A ASN 92.A ND2 SER 119.A OG no hydrogen 3.264 N/A ASN 93.A N THR 14.A OG1 no hydrogen 2.937 N/A ASN 93.A ND2 THR 14.A O no hydrogen 2.729 N/A GLU 102.A N GLU 102.A OE2 no hydrogen 2.779 N/A ASP 103.A N THR 100.A OG1 no hydrogen 3.324 N/A PHE 104.A N THR 100.A O no hydrogen 2.974 N/A SER 105.A N ALA 101.A O no hydrogen 2.831 N/A SER 105.A OG ALA 101.A O no hydrogen 3.066 N/A SER 105.A OG GLU 102.A O no hydrogen 3.005 N/A PHE 106.A N GLU 102.A O no hydrogen 2.733 N/A HIS 107.A N ASP 103.A O no hydrogen 2.895 N/A ILE 108.A N PHE 104.A O no hydrogen 3.197 N/A SER 109.A N SER 105.A O no hydrogen 3.134 N/A SER 109.A OG SER 105.A O no hydrogen 2.687 N/A SER 109.A OG PHE 106.A O no hydrogen 3.445 N/A THR 110.A N PHE 106.A O no hydrogen 3.024 N/A ASN 111.A N HIS 107.A O no hydrogen 3.150 N/A LEU 112.A N ILE 108.A O no hydrogen 3.194 N/A GLU 113.A N SER 109.A O no hydrogen 2.661 N/A SER 114.A N THR 110.A O no hydrogen 2.969 N/A SER 114.A OG THR 110.A O no hydrogen 2.835 N/A SER 114.A OG ASN 111.A O no hydrogen 2.659 N/A ALA 115.A N ASN 111.A O no hydrogen 3.056 N/A TYR 116.A N LEU 112.A O no hydrogen 2.785 N/A HIS 117.A N GLU 113.A O no hydrogen 2.736 N/A LEU 118.A N SER 114.A O no hydrogen 2.939 N/A SER 119.A N ALA 115.A O no hydrogen 3.173 N/A SER 119.A OG ALA 115.A O no hydrogen 2.755 N/A GLN 120.A N TYR 116.A O no hydrogen 3.382 N/A LEU 121.A N HIS 117.A O no hydrogen 2.895 N/A HIS 123.A N SER 119.A O no hydrogen 3.048 N/A LEU 126.A N ALA 122.A O no hydrogen 2.911 N/A LYS 127.A N HIS 123.A O no hydrogen 2.713 N/A ALA 128.A N PRO 124.A O no hydrogen 3.027 N/A SER 129.A N LEU 126.A O no hydrogen 2.847 N/A SER 129.A OG LEU 126.A O no hydrogen 2.580 N/A GLY 130.A N LYS 127.A O no hydrogen 3.175 N/A CYS 131.A N SER 129.A OG no hydrogen 3.050 N/A CYS 131.A SG ASP 88.A OD1 no hydrogen 3.529 N/A ASN 133.A N ASP 88.A O no hydrogen 2.888 N/A ILE 134.A N ARG 166.A O no hydrogen 2.937 N/A ILE 135.A N LEU 90.A O no hydrogen 3.005 N/A PHE 136.A N ASN 168.A O no hydrogen 2.904 N/A MET 137.A N ASN 92.A O no hydrogen 2.962 N/A ALA 144.A N SER 140.A O no hydrogen 3.255 N/A THR 145.A N ILE 141.A O no hydrogen 3.029 N/A THR 145.A OG1 ILE 141.A O no hydrogen 2.947 N/A LYS 146.A N TYR 142.A O no hydrogen 2.743 N/A GLY 147.A N SER 143.A O no hydrogen 2.990 N/A ALA 148.A N ALA 144.A O no hydrogen 3.109 N/A LEU 149.A N THR 145.A O no hydrogen 2.811 N/A ASN 150.A N LYS 146.A O no hydrogen 2.781 N/A GLN 151.A N GLY 147.A O no hydrogen 3.451 N/A LEU 152.A N ALA 148.A O no hydrogen 3.249 N/A ALA 153.A N LEU 149.A O no hydrogen 2.838 N/A ARG 154.A N ASN 150.A O no hydrogen 3.016 N/A ASN 155.A N GLN 151.A O no hydrogen 2.790 N/A LEU 156.A N LEU 152.A O no hydrogen 2.823 N/A ALA 157.A N ALA 153.A O no hydrogen 2.991 N/A CYS 158.A N ARG 154.A O no hydrogen 3.108 N/A CYS 158.A SG ARG 154.A O no hydrogen 3.154 N/A GLU 159.A N LEU 156.A O no hydrogen 2.633 N/A TRP 160.A N LEU 156.A O no hydrogen 2.857 N/A ASP 163.A N TRP 160.A O no hydrogen 3.052 N/A GLY 164.A N ALA 161.A O no hydrogen 2.775 N/A ILE 165.A N TRP 160.A O no hydrogen 2.972 N/A ARG 166.A N GLY 132.A O no hydrogen 3.056 N/A ALA 167.A N THR 198.A OG1 no hydrogen 3.118 N/A ASN 168.A N ILE 134.A O no hydrogen 2.972 N/A ASN 168.A ND2 ILE 197.A O no hydrogen 2.910 N/A ALA 169.A N GLN 200.A O no hydrogen 2.803 N/A VAL 170.A N PHE 136.A O no hydrogen 2.997 N/A ALA 171.A N ILE 202.A O no hydrogen 2.682 N/A VAL 174.A N ASP 205.A OD1 no hydrogen 2.681 N/A ILE 175.A N ASP 205.A OD1 no hydrogen 2.538 N/A GLU 181.A N GLU 178.A O no hydrogen 2.916 N/A VAL 182.A N PRO 179.A O no hydrogen 3.408 N/A SER 183.A N GLU 180.A O no hydrogen 3.288 N/A SER 183.A OG GLU 27.A OE1 no hydrogen 2.604 N/A SER 183.A OG GLU 180.A O no hydrogen 3.252 N/A SER 184.A N GLU 181.A O no hydrogen 3.274 N/A SER 184.A OG GLU 181.A O no hydrogen 3.260 N/A LEU 185.A N VAL 182.A O no hydrogen 2.998 N/A VAL 186.A N VAL 182.A O no hydrogen 3.200 N/A ALA 187.A N SER 183.A O no hydrogen 2.922 N/A PHE 188.A N SER 184.A O no hydrogen 2.980 N/A LEU 189.A N LEU 185.A O no hydrogen 2.962 N/A CYS 190.A N ALA 187.A O no hydrogen 2.977 N/A CYS 190.A SG VAL 186.A O no hydrogen 3.472 N/A MET 191.A N PHE 188.A O no hydrogen 2.867 N/A ALA 193.A N ARG 3.A O no hydrogen 2.735 N/A ALA 194.A N MET 191.A O no hydrogen 2.792 N/A SER 195.A N PRO 192.A O no hydrogen 2.988 N/A SER 195.A OG PRO 192.A O no hydrogen 2.983 N/A ILE 197.A N ALA 194.A O no hydrogen 2.875 N/A THR 198.A OG1 ALA 167.A O no hydrogen 3.449 N/A GLY 199.A N ALA 167.A O no hydrogen 2.728 N/A GLN 200.A N ASN 168.A OD1 no hydrogen 2.755 N/A GLN 200.A NE2 THR 198.A O no hydrogen 3.697 N/A ILE 202.A N ALA 169.A O no hydrogen 2.914 N/A CYS 203.A SG PRO 172.A O no hydrogen 3.441 N/A VAL 204.A N ALA 171.A O no hydrogen 3.268 N/A ASP 205.A N CYS 203.A O no hydrogen 2.857 N/A GLY 206.A N ILE 175.A O no hydrogen 2.618 N/A GLY 207.A N ASP 205.A OD2 no hydrogen 2.881 N/A LEU 208.A N TYR 215.A O no hydrogen 3.258 N/A VAL 210.A N PHE 213.A O no hydrogen 2.706 N/A PHE 213.A N VAL 210.A O no hydrogen 2.795 N/A