3DKB

crystal structure of a20, 2.5 angstrom

• Total interactions analyzed: 15
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 107
  • Norm. En. per Res.: -2.8027
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-6.9896	13.8647	-132.973	-126.0979	89	2	2	6465	1	44	47
A-C	-5.246	10.8469	-136.467	-130.8661	86	9	2	6528	3	43	47
C-F	-46.588	-63.9901	-189.312	-299.8901	107	25	2	8767	6	66	70
D-E	-13.584	23.3137	-141.172	-131.4423	86	15	2	7608	4	44	52
D-F	-3.6316	36.9265	-173.32	-140.0251	97	24	2	8153	2	52	51
E-F	0.0	0.0	-0.0721	-0.0721	3	0	0	8	0	0	0

Interface residues

• A-B: ALA1075B, ARG1061B, ARG1071B, ARG1087B, ARG1216B, ARG1278B, ARG1280B, ARG1282B, ARG6136A, ARG6141A, ARG6162A, ASN1072B, ASN1084B, ASN6137A, ASN6163A, ASN6165A, ASN6296A, ASP1070B, ASP1212B, ASP1253B, ASP1279B, ASP1318B, ASP6134A, ASP6160A, ASP6293A, CYS1054B, CYS1086B, GLN1074B, GLN1080B, GLN1315B, GLN6143A, GLN6150A, GLU1062B, GLU1078B, GLU1088B, GLU1219B, GLU1269B, GLU6145A, GLU6151A, GLU6154A, GLU6242A, GLU6295A, GLU6297A, GLU6305A, GLY1281B, HIS1255B, HIS1256B, HIS6237A, ILE1073B, ILE6036A, LEU1077B, LEU1083B, LEU1215B, LEU1218B, LEU6144A, LEU6147A, LEU6236A, LEU6302A, LYS1066B, LYS1081B, LYS1082B, LYS1091B, LYS1213B, LYS6139A, LYS6148A, LYS6301A, MET1214B, MET6298A, PHE6140A, PRO6239A, PRO6294A, SER1079B, SER1217B, SER1254B, SER6146A, SER6149A, THR1076B, THR6161A, THR6292A, TRP1085B, TRP1317B, TRP6142A, TRP6164A, TRP6238A, TYR6159A, TYR6306A, VAL1089B, VAL1314B, VAL6153A
• A-C: ALA6075A, ARG2136C, ARG2141C, ARG2162C, ARG6061A, ARG6071A, ARG6087A, ARG6216A, ARG6278A, ARG6280A, ASN2137C, ASN2163C, ASN2165C, ASN2201C, ASN2296C, ASN6072A, ASN6084A, ASP2134C, ASP2160C, ASP2166C, ASP2293C, ASP6070A, ASP6212A, ASP6253A, ASP6279A, ASP6318A, CYS6086A, GLN2143C, GLN2150C, GLN6074A, GLN6080A, GLN6315A, GLU2145C, GLU2151C, GLU2154C, GLU2295C, GLU2297C, GLU6062A, GLU6078A, GLU6219A, GLY2035C, GLY6281A, HIS2237C, HIS6255A, ILE2036C, ILE2037C, ILE6073A, LEU2144C, LEU2147C, LEU2236C, LEU2302C, LEU6077A, LEU6215A, LEU6218A, LYS2139C, LYS2148C, LYS6066A, LYS6081A, LYS6082A, LYS6091A, LYS6213A, MET2298C, MET6214A, PHE2138C, PHE2140C, PRO2235C, PRO2239C, PRO2294C, PRO6058A, SER2146C, SER2149C, SER6079A, SER6217A, SER6254A, THR2135C, THR2161C, THR2292C, THR6076A, TRP2142C, TRP2164C, TRP2238C, TRP6085A, TRP6317A, TYR2159C, TYR2306C, VAL2153C
• C-F: ALA2018C, ALA5018F, ARG2016C, ARG2022C, ARG2024C, ARG5016F, ARG5022F, ARG5024F, ASN2014C, ASN2098C, ASN2340C, ASN2359C, ASN5014F, ASN5098F, ASN5340F, ASN5359F, ASP2117C, ASP2119C, ASP2178C, ASP2343C, ASP2344C, ASP5100F, ASP5117F, ASP5119F, ASP5178F, ASP5343F, ASP5344F, GLN2004C, GLN2008C, GLN2187C, GLN2350C, GLN2362C, GLN5004F, GLN5187F, GLN5350F, GLN5362F, GLU2003C, GLU2023C, GLU2347C, GLU2352C, GLU2358C, GLU5003F, GLU5023F, GLU5027F, GLU5347F, GLU5352F, GLU5358F, HIS2106C, HIS2351C, HIS5351F, ILE2021C, ILE5021F, LEU2006C, LEU2012C, LEU2120C, LEU2341C, LEU2348C, LEU5006F, LEU5012F, LEU5120F, LEU5341F, LEU5348F, LYS2017C, LYS2020C, LYS2124C, LYS2337C, LYS2354C, LYS2355C, LYS5017F, LYS5020F, LYS5124F, LYS5337F, LYS5354F, LYS5355F, MET2015C, MET5015F, PHE2346C, PHE5346F, PRO2007C, PRO2026C, PRO5007F, PRO5026F, SER2013C, SER5013F, THR2025C, THR2118C, THR2177C, THR2179C, THR5025F, THR5118F, THR5177F, THR5179F, TYR2011C, TYR2188C, TYR2345C, TYR5011F, TYR5188F, TYR5345F, TYR5353F, VAL2005C, VAL2019C, VAL2121C, VAL2349C, VAL5005F, VAL5019F, VAL5121F, VAL5349F
• D-E: ALA4075E, ARG3136D, ARG3141D, ARG3162D, ARG4052E, ARG4061E, ARG4071E, ARG4087E, ARG4216E, ARG4278E, ARG4280E, ARG4282E, ASN3137D, ASN3163D, ASN3165D, ASN4072E, ASN4084E, ASN4277E, ASP3134D, ASP3160D, ASP3166D, ASP3169D, ASP3293D, ASP4070E, ASP4212E, ASP4253E, ASP4279E, ASP4318E, CYS4086E, GLN3143D, GLN3150D, GLN4074E, GLN4080E, GLN4315E, GLU3145D, GLU3151D, GLU3154D, GLU3295D, GLU3297D, GLU4062E, GLU4078E, GLU4219E, GLU4269E, GLY4281E, HIS3237D, HIS4255E, ILE3036D, ILE4073E, LEU3144D, LEU3147D, LEU3236D, LEU3302D, LEU4077E, LEU4083E, LEU4215E, LEU4218E, LYS3139D, LYS3148D, LYS4066E, LYS4081E, LYS4082E, LYS4091E, LYS4213E, MET3298D, MET4214E, PHE3138D, PHE3140D, PRO3239D, PRO3294D, PRO4058E, SER3146D, SER3149D, SER4079E, SER4217E, SER4254E, THR3161D, THR3292D, THR4076E, TRP3142D, TRP3164D, TRP3168D, TRP3238D, TRP4085E, TYR3159D, VAL3153D, VAL4314E
• D-F: ALA3075D, ARG3061D, ARG3071D, ARG3087D, ARG3216D, ARG3278D, ARG3280D, ARG3282D, ARG5136F, ARG5141F, ARG5162F, ASN3072D, ASN3084D, ASN5137F, ASN5163F, ASN5165F, ASN5201F, ASN5296F, ASP3212D, ASP3253D, ASP3279D, ASP3318D, ASP5134F, ASP5160F, ASP5166F, ASP5293F, CYS3054D, CYS3086D, GLN3074D, GLN3080D, GLN3315D, GLN5143F, GLN5150F, GLU3062D, GLU3078D, GLU3088D, GLU3219D, GLU3269D, GLU5145F, GLU5151F, GLU5154F, GLU5167F, GLU5242F, GLU5295F, GLU5297F, GLU5305F, GLY3281D, HIS3065D, HIS3255D, HIS5237F, ILE3073D, ILE5036F, ILE5037F, LEU3077D, LEU3083D, LEU3215D, LEU3218D, LEU5144F, LEU5147F, LEU5236F, LEU5291F, LEU5302F, LYS3066D, LYS3081D, LYS3082D, LYS3091D, LYS3213D, LYS5139F, LYS5148F, LYS5301F, MET3214D, MET5298F, PHE5140F, PRO3058D, PRO5235F, PRO5239F, PRO5294F, SER3079D, SER3217D, SER3254D, SER3266D, SER5146F, SER5149F, THR3076D, THR5161F, THR5292F, TRP3085D, TRP3317D, TRP5142F, TRP5164F, TRP5168F, TRP5238F, TYR3252D, TYR5159F, TYR5306F, VAL3089D, VAL5153F
• E-F: GLN4362E, GLN5241F, GLU5242F