Table 1.

Pockets and mouth information of the 37 lantipeptides. Pocket residues that are disordered have been highlighted in grey

Lantibiotic	POCKET INFORMATION				MOUTH INFORMATION
	ID	Pocket area (sa*)	Pocket volume (sa*)	Residue composition	Number of mouths	Area_sa*	Area_ms**	Len_sa*	Len_ms**
Mutacin-2	1	56.931	32.903	SER11, GLU14, VAL15, LEU20, ILE23, ARG28, TRP29	1	26.154	81.30	35.262	44.06
	2	41.31	20.996	ALA8, SER11, LEU12, TRP29, VAL33, THR36	2	13.341	63.63	27.182	44.77
Ruminococcin-A	1	29.864	7.221	THR9, GLU16, ILE20, TRP40, LEU43, PHE44, CYS46	1	8.57	46.03	22.816	31.61
	2	14.323	4.109	MET1, ASP4, VAL5, LEU8, CYS35, ASN36	2	6.592	33.68	15.353	24.15
Nisin-A	1	34.295	10.211	ASP5, MET44, LYS45, THR46, THR48, CYS49	1	5.878	32.58	15.987	24.78
	2	27.773	8.290	LYS15, LYS16, SER18, GLY19, THR31, PRO32, GLY33, CYS51, ILE53	1	5.848	27.95	13.375	22.17
Mutacin-1140	1	92.325	81.968	MET1, SER2, LEU7, VAL9, PHE22, PHE24, PHE42, TRP45, SER60, TYR61, CYS62	1	50.752	116.08	42.267	51.06
	2	27.22	14.609	VAL17, GLN18, GLU19, LYS43, SER46, LEU47	1	14.326	45.91	19.006	27.80
Lacticin 3147 A1	1	36.210	14.434	TRP13, GLU15, ASN33, PHE35, THR49, LEU50, THR51, CYS54	1	5.556	26.55	12.056	20.85
	2	32.778	11.784	GLU15, GLU16, SER31, THR32, ASN33, GLY45, ALA46, TRP47, CYS48, THR49	1	12.838	52.97	24.581	33.38
Lacticin 3147 A2	1	132.978	81.913	GLN15, LEU16, GLY17, TYR19, MET24, LEU27, GLU29, GLY30, ASP31, SER33, HIS34, THR38, ALA40, THR41, ALA43	3	20.937	80.24	31.399	57.79
	2	56.321	39.172	, ILE12, LEU16, LYS18, ASP23, ILE25, GLU26	1	40.159	116.81	50.794	59.59
Lichenicidin VK21 A1	1	112.316	46.387	SER38, ILE39, ALA40, GLY42, LEU52, SER53, LEU56, ASN58, ASN59, GLY60, TYR61, LEU62, CYS73, ASN74	3	11.664	66.77	27.840	54.23
	2	49.694	8.986	, ILE27, LEU28, LEU31, HIS37, ILE39, ASN59, GLY60, TYR61, ASN74	2	2.314	24.03	8.606	26.20
Lichenicidin VK21 A2	1	95.152	44.844	MET4, SER7, ALA8, GLU11, ASN17, ALA20, GLY21, VAL23, SER24, THR69, CYS72	1	19.996	82.33	40.174	48.97
	2	58.933	22.010	, MET4, THR41, ALA54, GLY55, VAL56, VAL58, SER70, ARG71	2	16.723	66.09	28.280	45.87
Lacticin-481	1	49.526	21.214	GLN11, GLU15, LEU18, ILE31, HIS32, THR33, GLN44, VAL46	1	25.448	91.30	42.822	51.62
	2	4.649	0.584	LEU18, ASP19, LEU22, ILE31, VAL46, THR48	1	0.987	13.93	5.294	14.09
Paenibacillin	1	31.872	16.332	LYS9, ALA13, VAL14, LYS16, CYS20	1	16.909	61.87	29.357	38.15
	2	13.079	1.590	SER11, ALA13, ILE21, CYS22, SER25, CYS26, SER27	2	1.184	25.48	8.556	26.15
Michiganin-A	1	89.285	36.207	ARG16, TRP17, ASP18, MET19, LEU20, VAL43, TYR46, MET47, ILE63, ARG68	1	22.255	68.16	29.017	37.81
	2	15.530	2.124	ALA23, GLY24, ASP26, THR27, GLN32, GLN34	1	2.756	21.18	8.765	17.56
Subtilin	1	9.903	1.615	THR22, GLN24, SER29, LEU30	1	2.306	25.08	13.663	22.46
Lichenicidin A2	1	250.794	128.956	PHE10, HIS15, PRO16, ALA17, GLY18, MET19, VAL20, SER21, GLU24, LEU25, LEU28, ASN35, THR38, THR39, THR42, THR43, TRP46, GLY52, VAL55, SER56, CYS60, PRO61, THR62, THR63, LYS64, CYS65, THR66	1	30.200	84.29	35.034	43.83
	2	44.818	35.937	, ALA6, MET19, VAL20, LEU25, VAL34, THR39, PRO40, THR43	1	25.906	70.12	27.564	36.36
Duramycin B	1	11.144	1.013	CYS5, SER6, PHE7, THR11, VAL13, CYS14, ASN17, THR18	1	0.010	4.88	0.643	9.44
	2	1.237	0.128	ARG2, CYS14, ASP15, THR18	1	0.516	11.60	3.521	12.32
Duramycin C	1	20.801	9.875	ASP14, VAL15, LYS16, ALA42, LYS43	1	9.296	40.65	18.016	26.81
Cypemycin	2	46.591	7.798	, ALA15, LEU16, ALA17, VAL25, LEU26, ALA41, MET42, PHE53	2	0.667	21.8	7.078	24.67
Epidermin	1	37.588	9.316	LYS20, PHE35, ILE36, CYS41, THR44, GLY45, PHE47, ASN48	2	4.271	36.47	18.179	35.77
	2	15.318	4.025	MET1, ASP9, LEU10, LEU13, CYS51	1	2.942	24.57	11.533	20.33
Lantibiotic 107891	1	6.857	1.098	VAL1, TRP4, SER13, SER18, ASN19, CYS20	1	0.616	19.25	8.915	17.71
	2	1.145	0.094	VAL1, THR2, SER3, CYS7	1	0.398	10.11	3.176	11.97
Gallidermin	1	9.957	1.250	PHE11, ASP14, VAL15, ASN18, PHE35, THR38, TYR50, CYS51	1	0.561	11.29	3.902	12.70
	2	8.522	0.943	ASN23, ASP24, SER25, GLY26, LEU36, CYS37	1	2.261	18.57	7.726	16.52
Nukacin	1	20.934	15.189	GLU11, VAL12, LEU15, SER34, GLY35, VAL36	1	35.768	82.48	29.092	37.89
	2	2.615	0.077	GLU18, VAL19, LYS31, LYS32, GLY35, VAL36	2	0.025	11.00	1.089	18.68
Epilancin 15×	1	77.601	60.827	LYS13, CYS16, ARG17, LEU21, THR22, CYS23, CYS25, PHE27	1	30.833	79.91	31.011	39.81
	2	25.339	19.239	VAL5, ILE9, HIS26, PHE27, LYS30,	1	20.993	56.99	21.315	30.11
Mutacin B-NY266	1	28.755	5.461	LYS2, SER3, PHE6, CYS11, ALA12, PHE17, ASN18, SER19	1	1.110	15.46	6.031	14.83
	2	13.174	1.588	SER3, PHE6, CYS7, SER19, TYR20, CYS21	2	0.361	15.45	5.492	23.09
Epilancin	1	215.553	113.859	LEU10, GLY13, VAL14, GLN17, LYS18, LEU21, LEU29, LYS30, ILE33, VAL35, TYR39, CYS40, VAL43, THR44, THR46, CYS47, GLY48, CYS49	2	41.176	157.24	75.004	92.60
	2	106.021	88.529	LEU5, PHE6, ASN9, LEU10, ILE51, THR52, GLY53, GLY54, LYS55	1	49.206	136.48	57.939	66.74
Nisin-Z	1	16.422	14.287	CYS30, THR31, CYS51, HIS54, SER56, LYS57	1	26.449	67.13	29.058	29.06
	2	0.928	0.092	LEU10, LYS15, PRO22, ILE53	1	0.470	10.72	3.157	11.95
Pep5	1	97.688	25.747	LEU23, GLN26, THR27, ALA28, PRO30, ALA31, LEU43, LYS44, ALA45, THR46, ARG47, LEU48, GLY58, CYS59, LYS60	2	6.879	45.01	19.609	37.20
	2	37.560	11.377	GLU11, LYS14, GLU15, ASN19, THR20, GLU22, ALA28, GLY29	1	5.195	25.32	10.695	19.49
Streptococcin A-FF22	1	54.147	34.349	ILE5, ALA18, GLU21, ASN22, ALA24, PHE26	1	23.116	65.29	26.667	35.46
	2	126.691	31.250	ALA28, SER29, ALA30, ALA31, ALA32, LEU33, VAL37, GLU38, ASP41, GLN42, SER44, LEU45, SER65, PHE66, PRO68, PHE69, PHE71	2	0.653	22.13	6.605	24.20
Lanna-Staho nukacin	—	—	—	—	—	—	—	—	—
Nisin-U	1	19.454	5.690	CYS1, LEU10, CYS14, GLY16	2	4.366	34.92	14.445	32.04
	2	14.993	2.331	CYS1, VAL2, GLN3, CYS5, GLY8, LEU10, GLY16, ASN17	1	0.410	10.85	3.198	11.99
Streptococcin A-M49	1	30.268	8.081	GLU14, GLU16, GLN19, SER32, HIS33, ASN36	2	2.976	29.03	11.703	29.30
	2	2.827	0.583	ASN3, GLU14, HIS33, GLU34	1	2.546	19.09	9.277	18.07
Salivaricin-A	1	119.605	69.104	GLU4, ASP5, PHE6, ILE13, LYS15, ASN18, SER19, GLY20, ALA21, SER22, LYS28, SER29, LEU30, CYS31, THR32	1	13.804	69.36	35.499	44.30
	2	103.728	36.243	MET1, ASN2, ASN3, PHE6, LEU8, ILE25, THR26,SER29, LEU30, THR42, LEU45, PHE54, GLY55	2	5.063	41.41	20.920	38.51
Duramycin	1	4.072	0.602	LEU8, GLU11, CYS12, GLY13, ILE16, CYS17	1	0.483	11.10	3.433	12.23
	2	0.232	0.023	SER1, TRP4, THR14	1	0.292	10.83	3.129	11.92
Cinnamycin	2	10.283	1.704	, VAL7, SER10, PHE31, LEU46, CYS50	1	0.389	9.41	3.338	12.13
Ruminococcin-A	1	64.070	37.328	LYS3, GLU4, HIS5, GLU6, ASN9, SER10, GLU13, VAL14, GLU17, GLU18, GLN21	1	27.846	90.92	40.943	49.74
	2	40.389	23.274	GLN12, LEU16, LEU19, PHE31, SER35, HIS36, HIS39	1	16.667	58.29	25.761	34.56
Mersacidin	1	73.437	34.794	, ILE6, MET7, CYS44, HIS45, MET46, ASN47, PHE49, MET52, PHE53	2	32.166	98.93	38.889	56.48
	2	23.867	4.731	ILE10, GLU23, LEU24, VAL27, PHE49, PHE51, MET52, PHE55	1	2.040	17.49	8.811	17.61
Streptin	1	55.864	27.016	GLU22, VAL23, GLY26, LYS27, ARG28, SER30,TRP32, CYS48	1	19.591	72.79	33.854	42.65
	2	7.240	1.899	GLU13, PHE45, CYS47	1	4.864	26.16	11.106	19.90
Actagardine	1	38.730	9.043	PHE14, ARG16, SER29, GLU30, LEU31, VAL59, LEU62, THR63, CYS66, ILE67	1	0.004	6.34	0.312	9.11
	2	29.320	7.472	LEU39, GLY43, ASP44, ALA48, PHE51,GLU65, CYS66, CYS68	1	3.367	25.72	11.950	20.75
Ancovenin	1	59.872	12.390	LYS13, ASN15, LYS16, LYS17, ASP18, THR19, GLY33, SER34, CYS35, LYS46	2	1.336	21.82	8.462	26.05
	2	18.786	5.716	THR19, THR21, SER34, VAL45, LYS46	1	3.493	22.49	9.838	18.63

^*sa: solvent accessible, ^**ms: molecular surface.