| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: GOL_A_13(4FIN) / Model_109(4FIN/A) = [3.1]
| Download | 347.98 | -12.40 | MSVPAAPLLSVEGLEVTFGTDAPAVCGVDLAVRSGQTVAVVGESGSGKSTTAAAILGLLPAGGRITAGRVVFDGRDITGADAKRLRSIRGREIGYVPQDPMTNLNPVWKVGFQVTEALRANTDGRAARRRAVELLAEAGLPDPAKQAGRYPHQLSGGMCQRALIAIGLAGRPRLLIADEPTSALDVTVQRQVLDHLQGLTDELGTALLLITHDLALAAQRAEAVVVVRRGVVVESGAAQSILQSPQHEYTRRLVAAAPSLTARSRRPPESRSRATTQAGDILVVSELTKIYRESRGAPWRRVESRAVDGVSFRLPRASTLAIVGESGSGKSTLARMVLGLLQPTSGTVVFDGTYDVGALARDQVLAFRRRVQPVFQNPYSSLDPMYSVFRAIEEPLRVHHVGDRRQRQRAVRELVDQVALPSSILGRRPRELSGGQRQRVAIARALALRPEVLVCDEAVSALDVLVQAQILDLLADLQADLGLTYLFISHDLAVIRQIADDVLVMRAGRVVEHASTEEVFSRPRHEYTRQLLQAIPGAPSAPRKVGNL |
| Complex: ACP_A_4(4AYX) / Model_61(4AYX/A) = [4.0]
| Download | 793.96 | 4.86 | MSVPAAPLLSVEGLEVTFGTDAPAVCGVDLAVRSGQTVAVVGESGSGKSTTAAAILGLLPAGGRITAGRVVFDGRDITGADAKRLRSIRGREIGYVPQDPMTNLNPVWKVGFQVTEALRANTDGRAARRRAVELLAEAGLPDPAKQAGRYPHQLSGGMCQRALIAIGLAGRPRLLIADEPTSALDVTVQRQVLDHLQGLTDELGTALLLITHDLALAAQRAEAVVVVRRGVVVESGAAQSILQSPQHEYTRRLVAAAPSLTARSRRPPESRSRATTQAGDILVVSELTKIYRESRGAPWRRVESRAVDGVSFRLPRASTLAIVGESGSGKSTLARMVLGLLQPTSGTVVFDGTYDVGALARDQVLAFRRRVQPVFQNPYSSLDPMYSVFRAIEEPLRVHHVGDRRQRQRAVRELVDQVALPSSILGRRPRELSGGQRQRVAIARALALRPEVLVCDEAVSALDVLVQAQILDLLADLQADLGLTYLFISHDLAVIRQIADDVLVMRAGRVVEHASTEEVFSRPRHEYTRQLLQAIPGAPSAPRKVGNL |
| Complex: LMT_A_7(4MKI) / Model_53(4MKI/B) = [4.0]
| Download | 665.69 | -18.00 | MSVPAAPLLSVEGLEVTFGTDAPAVCGVDLAVRSGQTVAVVGESGSGKSTTAAAILGLLPAGGRITAGRVVFDGRDITGADAKRLRSIRGREIGYVPQDPMTNLNPVWKVGFQVTEALRANTDGRAARRRAVELLAEAGLPDPAKQAGRYPHQLSGGMCQRALIAIGLAGRPRLLIADEPTSALDVTVQRQVLDHLQGLTDELGTALLLITHDLALAAQRAEAVVVVRRGVVVESGAAQSILQSPQHEYTRRLVAAAPSLTARSRRPPESRSRATTQAGDILVVSELTKIYRESRGAPWRRVESRAVDGVSFRLPRASTLAIVGESGSGKSTLARMVLGLLQPTSGTVVFDGTYDVGALARDQVLAFRRRVQPVFQNPYSSLDPMYSVFRAIEEPLRVHHVGDRRQRQRAVRELVDQVALPSSILGRRPRELSGGQRQRVAIARALALRPEVLVCDEAVSALDVLVQAQILDLLADLQADLGLTYLFISHDLAVIRQIADDVLVMRAGRVVEHASTEEVFSRPRHEYTRQLLQAIPGAPSAPRKVGNL |
| Complex: ANP_A_2(4AYW) / Model_60(4AYW/A) = [4.3]
| Download | 824.91 | -14.50 | MSVPAAPLLSVEGLEVTFGTDAPAVCGVDLAVRSGQTVAVVGESGSGKSTTAAAILGLLPAGGRITAGRVVFDGRDITGADAKRLRSIRGREIGYVPQDPMTNLNPVWKVGFQVTEALRANTDGRAARRRAVELLAEAGLPDPAKQAGRYPHQLSGGMCQRALIAIGLAGRPRLLIADEPTSALDVTVQRQVLDHLQGLTDELGTALLLITHDLALAAQRAEAVVVVRRGVVVESGAAQSILQSPQHEYTRRLVAAAPSLTARSRRPPESRSRATTQAGDILVVSELTKIYRESRGAPWRRVESRAVDGVSFRLPRASTLAIVGESGSGKSTLARMVLGLLQPTSGTVVFDGTYDVGALARDQVLAFRRRVQPVFQNPYSSLDPMYSVFRAIEEPLRVHHVGDRRQRQRAVRELVDQVALPSSILGRRPRELSGGQRQRVAIARALALRPEVLVCDEAVSALDVLVQAQILDLLADLQADLGLTYLFISHDLAVIRQIADDVLVMRAGRVVEHASTEEVFSRPRHEYTRQLLQAIPGAPSAPRKVGNL |
| Complex: ACP_A_4(4AYT) / Model_62(4AYT/A) = [4.5]
| Download | 650.22 | 5.36 | MSVPAAPLLSVEGLEVTFGTDAPAVCGVDLAVRSGQTVAVVGESGSGKSTTAAAILGLLPAGGRITAGRVVFDGRDITGADAKRLRSIRGREIGYVPQDPMTNLNPVWKVGFQVTEALRANTDGRAARRRAVELLAEAGLPDPAKQAGRYPHQLSGGMCQRALIAIGLAGRPRLLIADEPTSALDVTVQRQVLDHLQGLTDELGTALLLITHDLALAAQRAEAVVVVRRGVVVESGAAQSILQSPQHEYTRRLVAAAPSLTARSRRPPESRSRATTQAGDILVVSELTKIYRESRGAPWRRVESRAVDGVSFRLPRASTLAIVGESGSGKSTLARMVLGLLQPTSGTVVFDGTYDVGALARDQVLAFRRRVQPVFQNPYSSLDPMYSVFRAIEEPLRVHHVGDRRQRQRAVRELVDQVALPSSILGRRPRELSGGQRQRVAIARALALRPEVLVCDEAVSALDVLVQAQILDLLADLQADLGLTYLFISHDLAVIRQIADDVLVMRAGRVVEHASTEEVFSRPRHEYTRQLLQAIPGAPSAPRKVGNL |
Consensus
[pKd Mean = 3.98] | - | 656
(s=168) | -6
(s=10) | MSVPAAPLLSVEGLEVTFGTDAPAVCGVDLAVRSGQTVAVVGESGSGKSTTAAAILGLLPAGGRITAGRVVFDGRDITGADAKRLRSIRGREIGYVPQDPMTNLNPVWKVGFQVTEALRANTDGRAARRRAVELLAEAGLPDPAKQAGRYPHQLSGGMCQRALIAIGLAGRPRLLIADEPTSALDVTVQRQVLDHLQGLTDELGTALLLITHDLALAAQRAEAVVVVRRGVVVESGAAQSILQSPQHEYTRRLVAAAPSLTARSRRPPESRSRATTQAGDILVVSELTKIYRESRGAPWRRVESRAVDGVSFRLPRASTLAIVGESGSGKSTLARMVLGLLQPTSGTVVFDGTYDVGALARDQVLAFRRRVQPVFQNPYSSLDPMYSVFRAIEEPLRVHHVGDRRQRQRAVRELVDQVALPSSILGRRPRELSGGQRQRVAIARALALRPEVLVCDEAVSALDVLVQAQILDLLADLQADLGLTYLFISHDLAVIRQIADDVLVMRAGRVVEHASTEEVFSRPRHEYTRQLLQAIPGAPSAPRKVGNL |