Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ASN 7.A OD1 no hydrogen 2.708 N/A GLN 2.A NE2 GLU 10.A OE1 no hydrogen 3.301 N/A ASN 7.A N PRO 3.A O no hydrogen 3.209 N/A VAL 8.A N ILE 4.A O no hydrogen 3.036 N/A LEU 9.A N PHE 5.A O no hydrogen 3.106 N/A GLU 10.A N LEU 6.A O no hydrogen 3.063 N/A ALA 11.A N ASN 7.A O no hydrogen 3.025 N/A ILE 12.A N VAL 8.A O no hydrogen 2.969 N/A ALA 19.A N ASP 99.A OD1 no hydrogen 2.733 N/A GLY 20.A N ASP 99.A OD2 no hydrogen 2.521 N/A HIS 21.A N ASP 99.A OD2 no hydrogen 3.159 N/A HIS 21.A ND1 SER 35.A OG no hydrogen 2.598 N/A ASN 23.A ND2 ASP 99.A O no hydrogen 2.831 N/A ASN 24.A N ASP 22.A OD1 no hydrogen 2.799 N/A GLN 25.A N ASP 22.A OD1 no hydrogen 3.196 N/A ALA 31.A N SER 28.A OG no hydrogen 3.088 N/A LEU 32.A N SER 28.A O no hydrogen 2.922 N/A LEU 33.A N PHE 29.A O no hydrogen 2.995 N/A SER 34.A N ALA 30.A O no hydrogen 2.918 N/A SER 34.A OG ALA 30.A O no hydrogen 2.781 N/A SER 35.A N ALA 31.A O no hydrogen 2.972 N/A SER 35.A OG HIS 21.A ND1 no hydrogen 2.598 N/A SER 35.A OG ALA 31.A O no hydrogen 3.067 N/A LEU 36.A N LEU 32.A O no hydrogen 2.950 N/A ASN 37.A N LEU 33.A O no hydrogen 2.799 N/A ASN 37.A ND2 ASP 222.A O no hydrogen 3.014 N/A GLU 38.A N SER 34.A O no hydrogen 2.909 N/A LEU 39.A N SER 35.A O no hydrogen 2.858 N/A GLY 40.A N LEU 36.A O no hydrogen 2.866 N/A GLU 41.A N ASN 37.A O no hydrogen 3.030 N/A ARG 42.A N GLU 38.A O no hydrogen 2.940 N/A ARG 42.A NE GLU 38.A OE2 no hydrogen 2.846 N/A ARG 42.A NH1 CYS 18.A O no hydrogen 3.110 N/A GLN 43.A N LEU 39.A O no hydrogen 2.781 N/A LEU 44.A N GLY 40.A O no hydrogen 2.854 N/A VAL 45.A N GLU 41.A O no hydrogen 3.386 N/A HIS 46.A ND1 ARG 42.A O no hydrogen 3.129 N/A VAL 47.A N GLN 43.A O no hydrogen 2.805 N/A VAL 48.A N LEU 44.A O no hydrogen 2.915 N/A LYS 49.A N VAL 45.A O no hydrogen 3.215 N/A TRP 50.A N HIS 46.A O no hydrogen 2.813 N/A ALA 51.A N VAL 47.A O no hydrogen 2.844 N/A LYS 52.A N VAL 48.A O no hydrogen 3.106 N/A ALA 53.A N TRP 50.A O no hydrogen 3.065 N/A LEU 54.A N ALA 51.A O no hydrogen 3.027 N/A PHE 57.A N LEU 54.A O no hydrogen 3.085 N/A ARG 58.A NH1 LYS 52.A O no hydrogen 3.565 N/A ASN 59.A N GLY 56.A O no hydrogen 3.054 N/A LEU 60.A N PHE 57.A O no hydrogen 3.108 N/A ASP 63.A N HIS 61.A ND1 no hydrogen 2.730 N/A ASP 64.A N HIS 61.A O no hydrogen 2.874 N/A GLN 65.A N HIS 61.A O no hydrogen 2.951 N/A GLN 65.A NE2 LEU 60.A O no hydrogen 2.924 N/A MET 66.A N VAL 62.A O no hydrogen 3.257 N/A ALA 67.A N ASP 63.A O no hydrogen 3.043 N/A VAL 68.A N ASP 64.A O no hydrogen 2.909 N/A ILE 69.A N GLN 65.A O no hydrogen 3.292 N/A GLN 70.A N MET 66.A O no hydrogen 2.945 N/A TYR 71.A N ALA 67.A O no hydrogen 2.979 N/A SER 72.A N VAL 68.A O no hydrogen 2.922 N/A SER 72.A OG VAL 68.A O no hydrogen 2.643 N/A TRP 73.A N ILE 69.A O no hydrogen 3.100 N/A LEU 76.A N SER 72.A O no hydrogen 3.017 N/A MET 77.A N TRP 73.A O no hydrogen 2.895 N/A VAL 78.A N MET 74.A O no hydrogen 2.949 N/A PHE 79.A N GLY 75.A O no hydrogen 2.966 N/A ALA 80.A N LEU 76.A O no hydrogen 3.045 N/A MET 81.A N MET 77.A O no hydrogen 2.928 N/A GLY 82.A N VAL 78.A O no hydrogen 2.833 N/A TRP 83.A N PHE 79.A O no hydrogen 3.081 N/A ARG 84.A N ALA 80.A O no hydrogen 2.920 N/A ARG 84.A NE TYR 95.A O no hydrogen 3.131 N/A ARG 84.A NH2 PHE 96.A O no hydrogen 2.861 N/A SER 85.A N MET 81.A O no hydrogen 2.900 N/A SER 85.A OG MET 81.A O no hydrogen 2.809 N/A PHE 86.A N GLY 82.A O no hydrogen 3.072 N/A THR 87.A N TRP 83.A O no hydrogen 2.989 N/A THR 87.A OG1 TRP 83.A O no hydrogen 3.411 N/A THR 87.A OG1 ARG 84.A O no hydrogen 3.368 N/A THR 87.A OG1 ASN 88.A OD1 no hydrogen 3.132 N/A ASN 88.A N ARG 84.A O no hydrogen 2.845 N/A VAL 89.A N SER 85.A O no hydrogen 2.945 N/A SER 91.A N SER 85.A O no hydrogen 3.043 N/A SER 91.A OG SER 123.A OG no hydrogen 2.718 N/A ARG 92.A N VAL 89.A O no hydrogen 2.889 N/A LEU 94.A N PHE 102.A O no hydrogen 3.058 N/A TYR 95.A N SER 85.A OG no hydrogen 2.778 N/A ALA 97.A N LEU 100.A O no hydrogen 3.166 N/A LEU 100.A N ALA 97.A O no hydrogen 2.847 N/A PHE 102.A N LEU 94.A O no hydrogen 2.889 N/A ARG 106.A N ASN 103.A OD1 no hydrogen 2.887 N/A ARG 106.A NE ASP 27.A OD1 no hydrogen 3.132 N/A ARG 106.A NE ASP 27.A OD2 no hydrogen 3.056 N/A ARG 106.A NH1 ASN 23.A OD1 no hydrogen 3.371 N/A ARG 106.A NH1 VAL 101.A O no hydrogen 3.017 N/A ARG 106.A NH2 ASN 23.A OD1 no hydrogen 2.849 N/A ARG 106.A NH2 ASP 27.A OD1 no hydrogen 2.975 N/A MET 107.A N ASN 103.A O no hydrogen 3.026 N/A HIS 108.A N GLU 104.A O no hydrogen 3.040 N/A LYS 109.A N TYR 105.A O no hydrogen 2.844 N/A SER 110.A N ARG 106.A O no hydrogen 2.788 N/A SER 110.A OG ARG 106.A O no hydrogen 3.335 N/A SER 110.A OG MET 107.A O no hydrogen 2.760 N/A ARG 111.A N HIS 108.A O no hydrogen 3.000 N/A MET 112.A N SER 110.A OG no hydrogen 3.284 N/A TYR 113.A OH GLU 104.A OE1 no hydrogen 2.764 N/A SER 114.A OG GLN 115.A OE1 no hydrogen 2.869 N/A GLN 115.A N GLN 115.A OE1 no hydrogen 2.604 N/A CYS 116.A N MET 112.A O no hydrogen 2.986 N/A CYS 116.A SG MET 112.A O no hydrogen 3.330 N/A VAL 117.A N TYR 113.A O no hydrogen 2.893 N/A ARG 118.A N SER 114.A O no hydrogen 3.163 N/A ARG 118.A NH1 GLU 204.A OE2 no hydrogen 2.805 N/A MET 119.A N GLN 115.A O no hydrogen 3.026 N/A ARG 120.A N CYS 116.A O no hydrogen 2.766 N/A HIS 121.A N VAL 117.A O no hydrogen 2.820 N/A LEU 122.A N ARG 118.A O no hydrogen 2.865 N/A SER 123.A N MET 119.A O no hydrogen 3.007 N/A SER 123.A OG GLY 82.A O no hydrogen 2.990 N/A SER 123.A OG SER 91.A OG no hydrogen 2.718 N/A GLN 124.A N ARG 120.A O no hydrogen 2.988 N/A GLU 125.A N HIS 121.A O no hydrogen 3.114 N/A GLU 125.A N LEU 122.A O no hydrogen 3.089 N/A PHE 126.A N SER 123.A O no hydrogen 3.260 N/A GLY 127.A N GLN 124.A O no hydrogen 2.827 N/A TRP 128.A N GLN 124.A O no hydrogen 2.879 N/A LEU 129.A N GLU 125.A O no hydrogen 2.865 N/A GLN 130.A N GLY 127.A O no hydrogen 3.021 N/A ILE 131.A N PHE 126.A O no hydrogen 3.112 N/A THR 132.A N GLU 135.A OE1 no hydrogen 2.891 N/A THR 132.A OG1 GLN 134.A OE1 no hydrogen 3.524 N/A GLU 135.A N THR 132.A OG1 no hydrogen 3.052 N/A PHE 136.A N THR 132.A O no hydrogen 2.846 N/A LEU 137.A N PRO 133.A O no hydrogen 2.887 N/A CYS 138.A N GLN 134.A O no hydrogen 2.991 N/A CYS 138.A SG TYR 166.A O no hydrogen 3.785 N/A MET 139.A N GLU 135.A O no hydrogen 2.911 N/A LYS 140.A N PHE 136.A O no hydrogen 2.886 N/A LYS 140.A NZ GLU 13.A OE1 no hydrogen 3.538 N/A LYS 140.A NZ GLU 13.A OE2 no hydrogen 2.798 N/A ALA 141.A N LEU 137.A O no hydrogen 3.150 N/A LEU 142.A N CYS 138.A O no hydrogen 3.036 N/A LEU 143.A N MET 139.A O no hydrogen 2.996 N/A LEU 143.A N LYS 140.A O no hydrogen 3.011 N/A LEU 144.A N ALA 141.A O no hydrogen 3.044 N/A PHE 145.A N LEU 142.A O no hydrogen 3.020 N/A SER 146.A N LEU 143.A O no hydrogen 3.208 N/A SER 146.A OG LEU 142.A O no hydrogen 2.730 N/A ILE 148.A N LYS 244.A O no hydrogen 3.221 N/A VAL 150.A N LYS 242.A O no hydrogen 2.799 N/A GLY 152.A N PRO 149.A O no hydrogen 2.841 N/A LEU 153.A N GLN 156.A OE1 no hydrogen 2.518 N/A LYS 154.A N ASP 64.A OD1 no hydrogen 2.956 N/A LYS 154.A NZ ASP 63.A OD2 no hydrogen 3.286 N/A ASN 155.A N ASP 64.A OD2 no hydrogen 2.954 N/A PHE 159.A N ASN 155.A O no hydrogen 3.378 N/A ASP 160.A N GLN 156.A O no hydrogen 2.621 N/A GLU 161.A N LYS 157.A O no hydrogen 2.961 N/A LEU 162.A N PHE 158.A O no hydrogen 2.966 N/A ARG 163.A N PHE 159.A O no hydrogen 2.825 N/A ARG 163.A NH1 PHE 145.A O no hydrogen 2.924 N/A MET 164.A N ASP 160.A O no hydrogen 2.981 N/A ASN 165.A N GLU 161.A O no hydrogen 3.017 N/A TYR 166.A N LEU 162.A O no hydrogen 3.034 N/A TYR 166.A OH PRO 55.A O no hydrogen 2.698 N/A ILE 167.A N ARG 163.A O no hydrogen 3.009 N/A LYS 168.A N MET 164.A O no hydrogen 2.950 N/A GLU 169.A N ASN 165.A O no hydrogen 2.966 N/A LEU 170.A N TYR 166.A O no hydrogen 3.180 N/A ASP 171.A N ILE 167.A O no hydrogen 3.044 N/A ARG 172.A N LYS 168.A O no hydrogen 3.000 N/A ILE 173.A N GLU 169.A O no hydrogen 3.019 N/A ILE 174.A N LEU 170.A O no hydrogen 2.935 N/A ALA 175.A N ASP 171.A O no hydrogen 2.821 N/A CYS 176.A N ARG 172.A O no hydrogen 3.016 N/A CYS 176.A SG ARG 172.A O no hydrogen 2.983 N/A THR 182.A N ASN 180.A OD1 no hydrogen 2.627 N/A THR 182.A OG1 ASN 180.A OD1 no hydrogen 3.012 N/A SER 183.A OG ASN 180.A O no hydrogen 3.026 N/A SER 185.A OG PRO 181.A O no hydrogen 3.256 N/A ARG 186.A N THR 182.A O no hydrogen 3.203 N/A ARG 187.A N SER 183.A O no hydrogen 3.000 N/A ARG 187.A NE GLU 135.A OE2 no hydrogen 2.757 N/A ARG 187.A NH1 LEU 129.A O no hydrogen 2.852 N/A ARG 187.A NH1 GLN 190.A OE1 no hydrogen 3.346 N/A ARG 187.A NH2 LEU 129.A O no hydrogen 3.143 N/A ARG 187.A NH2 GLN 130.A O no hydrogen 3.264 N/A ARG 187.A NH2 GLU 135.A OE1 no hydrogen 2.556 N/A ARG 187.A NH2 GLU 135.A OE2 no hydrogen 3.232 N/A PHE 188.A N CYS 184.A O no hydrogen 3.259 N/A TYR 189.A N SER 185.A O no hydrogen 3.110 N/A GLN 190.A N ARG 186.A O no hydrogen 2.854 N/A LEU 191.A N ARG 187.A O no hydrogen 2.867 N/A THR 192.A N PHE 188.A O no hydrogen 2.929 N/A THR 192.A OG1 PHE 188.A O no hydrogen 2.962 N/A THR 192.A OG1 TYR 189.A O no hydrogen 2.838 N/A THR 192.A OG1 HIS 249.A NE2 no hydrogen 2.731 N/A LYS 193.A N TYR 189.A O no hydrogen 3.022 N/A LEU 194.A N GLN 190.A O no hydrogen 2.923 N/A LEU 195.A N LEU 191.A O no hydrogen 2.815 N/A ASP 196.A N THR 192.A O no hydrogen 2.975 N/A SER 197.A N LYS 193.A O no hydrogen 3.021 N/A SER 197.A OG LEU 194.A O no hydrogen 2.521 N/A VAL 198.A N LEU 195.A O no hydrogen 3.128 N/A GLN 199.A N ASP 196.A O no hydrogen 3.085 N/A ALA 202.A N VAL 198.A O no hydrogen 2.950 N/A ARG 203.A N GLN 199.A O no hydrogen 2.851 N/A GLU 204.A N PRO 200.A O no hydrogen 3.078 N/A LEU 205.A N ILE 201.A O no hydrogen 3.072 N/A HIS 206.A N ALA 202.A O no hydrogen 2.805 N/A GLN 207.A N ARG 203.A O no hydrogen 2.914 N/A PHE 208.A N GLU 204.A O no hydrogen 2.946 N/A THR 209.A N LEU 205.A O no hydrogen 2.803 N/A PHE 210.A N HIS 206.A O no hydrogen 2.976 N/A ASP 211.A N GLN 207.A O no hydrogen 3.122 N/A LEU 212.A N PHE 208.A O no hydrogen 2.963 N/A LEU 213.A N THR 209.A O no hydrogen 2.832 N/A ILE 214.A N PHE 210.A O no hydrogen 3.051 N/A LYS 215.A N ASP 211.A O no hydrogen 3.152 N/A SER 216.A N LEU 213.A O no hydrogen 3.229 N/A SER 216.A OG LEU 213.A O no hydrogen 2.744 N/A VAL 219.A N LYS 215.A O no hydrogen 3.220 N/A VAL 221.A N SER 216.A O no hydrogen 3.053 N/A ASP 222.A N SER 34.A OG no hydrogen 3.021 N/A MET 226.A N GLU 41.A OE2 no hydrogen 3.007 N/A MET 227.A N GLU 41.A OE1 no hydrogen 2.909 N/A ALA 228.A N PRO 224.A O no hydrogen 3.005 N/A GLU 229.A N GLU 225.A O no hydrogen 3.087 N/A ILE 230.A N MET 226.A O no hydrogen 2.875 N/A ILE 231.A N MET 227.A O no hydrogen 2.870 N/A SER 232.A N ALA 228.A O no hydrogen 3.150 N/A SER 232.A OG ALA 228.A O no hydrogen 2.956 N/A SER 232.A OG GLU 229.A O no hydrogen 3.339 N/A VAL 233.A N GLU 229.A O no hydrogen 3.051 N/A GLN 234.A N ILE 230.A O no hydrogen 2.936 N/A VAL 235.A N ILE 230.A O no hydrogen 3.041 N/A LYS 237.A N GLN 234.A O no hydrogen 2.887 N/A LYS 237.A NZ VAL 233.A O no hydrogen 2.933 N/A ILE 238.A N VAL 235.A O no hydrogen 2.834 N/A LEU 239.A N VAL 235.A O no hydrogen 2.977 N/A SER 240.A N PRO 236.A O no hydrogen 2.830 N/A SER 240.A OG PRO 236.A O no hydrogen 2.845 N/A SER 240.A OG LYS 237.A O no hydrogen 3.416 N/A GLY 241.A N ILE 238.A O no hydrogen 3.046 N/A LYS 242.A N LYS 237.A O no hydrogen 2.804 N/A VAL 243.A N LYS 237.A O no hydrogen 2.977 N/A LYS 244.A N ILE 148.A O no hydrogen 3.094 N/A ILE 246.A N SER 146.A O no hydrogen 2.776 N/A PHE 248.A N ASP 196.A OD1 no hydrogen 2.974 N/A HIS 249.A N ASP 196.A OD2 no hydrogen 2.924 N/A HIS 249.A NE2 THR 192.A OG1 no hydrogen 2.731 N/A