Rank Energy(Kcal/mol) Energy Range Volume(Å) Center Residues
X-axis Y-axis Z-axis
1 -1325.45 (-18.09, -8.97) 102.00 0.868 17.702 17.070 ILE-115, Ser116, Ser-122, Phe-123, Asn-221, Phe-224, Gly-225, Leu-254, Asn-255, Phe-258, Leu-312, asp-313, Gly-316, Ala-317, Asp-320, Thr-321, Ile-386, Leu-496, Thr-497
2 -1313.77 (-17.14,-8.90) 113.00 6.054 25.393 18.356 Arg-106, Arg-106, Mat-121, Ser-122, Arg-135, Asp-313, Ala-317, Thr-321, Phe-381, Val-382, Thr-385, Ile-386, Gln-411, Ile-449, Phe-450, Gly-451, Arg-455, Lys-456, Cys-457, Ile-458, Ala-463, Leu-496
3 -922.44 (-16.53,-8.90) 83.00 14.743 33.033 24.806 Leu-89, Arg-93, Leu-373, Phe-376, Val-442, Ser-444, Glu-445, Lys-446, Val-447, Ile-448, Ile-449, Phe-450, Gly-451, Met-452, Lys-456, Glu-460, Arg-464
4 -856.76 (-15.77,-8.97) 73.00 18.180 24.881 -5.248 Phe-23, Trp-24, Ile-26, Arg-27, Ala-28, Ser-29, Asn-39, Gln-75, Arg-77, Thr-81, Pro-82, Pro-402, Lys-403, Gly-404, Arg-405, Cys-406
5 -756.33 (-17.34,-8.93) 64.00 27.587 22.959 -2.826 Leu-21, Val-22, Phe-23, Arg-27, Lys-38, Asn-39, Pro-40, Pro-41, Gly-42, Pro-43, Trp-44, Gly-45, His-51, Gln-75, Ile-76, Arg-77, Phe-399
6 -735.99 (-19.40,-8.90) 61.00 -9.884 17.397 34.957 Lys-165, Glu-166, Val-169, Val-197, Cys199, Ala-200, Gly204, Arg-205, Tyr-207, His-209
7 -720.08 (-18.90,-8.93) 61.00 3.903 18.004 52.343 Ile-171, Arg-353, Ser-354, Arg-355, Arg-356, Ile-473, Gln-476, Arg-477, Leu-510, Arg-511, Ser-512
8 -674.77 (-16.19,-8.90) 60.00 15.741 9.268 11.292 Met-52, Leu-53, Leu-55, Gly-56, Lys-57, Pro-59, Glu-226, Gly-229, Ser-230, Gly-231, Asn-232, Pro-233, Ser-247, Ile-493, Tyr-494
9 -599.82 (-17.11,-9.00) 52.00 29.742 28.345 16.146 Ser-67, Gln-68, Gln-69, Gly71, Asp-72, Ser-87, Gly-88, Leu-89, Asp-90, Gln-413, Asp-417, Gln-418, Lys-419, Leu-420, Lys-446
10 -573.59 (-13.44,-8.91) 56.00 10.125 19.961 -0.815 Trp-24, Ser-80, Thr-81, Pro-82, Arg-106, Pro-107, Asp-108, Leu-109, Tyr-110, Pro-125, Asp-235, Phe-236, Pro-238, Arg-241, Ser-389, Gly-404, Cys-406
Table 3: Top ten binding pockets with binding residues, energy and volume.