A0A5K4F564_SCHMA Loading...

Bacteriocin immunity protein

AlphaFold DB , UniProt , Accession A0A5K4F564, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 87 aa.

						>A0A5K4F564_SCHMA|A0A5K4F564
MKCNSKKLQEIIEHLTAYNQSKLPIESTLARKYLGFNRYDYGWSFESQANLTMKKLTKEEILNVIERLSQYDINKYPPESKGHIKKL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.1	Low	78.3	Confident	247 Å²	247	120.4 Å²	120.4	100%	1.217	60%	0.602	S	S	*	*				0	113.3	0	-160.2	175.7	166.5	0	0	106.8	C3	M1-C3 PolarHBondContact O-N 3.38Å
2	K	64	Low	78.6	Confident	212 Å²	212	118.2 Å²	118.2	92%	0.922	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-74.6	126.5	-177.9	-76.2	-175.7	177.1	-179.3	0	109.2	N4	K2-N4 PolarHBondContact O-N 3.24Å
3	C	69.7	Low	79	Confident	66 Å²	66	117.2 Å²	117.2	45%	0.446	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-67.4	123.5	174.7	-159.3	0	0	0	0	108.5	M1 L8	M1-C3 PolarHBondContact O-N 3.38Å; C3-L8 HydrophobicContact CB-CD2 4.33Å; C3-L8 HydrophobicContact CB-CG 4.17Å
4	N	84.2	Confident	79	Confident	100 Å²	100	119.3 Å²	119.3	54%	0.535	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-78	159	173.2	69.7	21.2	0	0	0	109.9	K2 K6 K7 L8	K2-N4 PolarHBondContact O-N 3.24Å; N4-K6 PolarHBondContact O-N 3Å; N4-K6 PolarHBondContact OD1-N 3.24Å; N4-K7 PolarHBondContact O-N 2.78Å; N4-K7 VanDerWaalsContact OD1-CB 3.22Å; N4-K7 WeakPolarHBondContact OD1-CB 3.33Å; N4-K7 PolarHBondContact OD1-N 3.17Å; N4-L8 PolarHBondContact O-N 3.47Å; N4-L8 VanDerWaalsContact O-N 3.08Å
5	S	85.2	Confident	78.7	Confident	99 Å²	99	119 Å²	119	69%	0.692	59%	0.592	S	S	*	*	H	α-helix	trans	-54.9	-38.1	-177.1	53.4	0	0	0	0	112.7	L8 Q9	S5-L8 PolarHBondContact O-N 3.42Å; S5-Q9 PolarHBondContact O-N 2.83Å
6	K	86	Confident	78.5	Confident	143 Å²	143	118.1 Å²	118.1	62%	0.622	60%	0.595	S	S	*	*	H	α-helix	trans	-61.9	-44.8	177.2	-172	177.9	178.1	-179.5	0	112.3	N4 Q9 E10	N4-K6 PolarHBondContact O-N 3Å; N4-K6 PolarHBondContact OD1-N 3.24Å; K6-Q9 PolarHBondContact O-N 3.42Å; K6-E10 WeakPolarHBondContact O-CG 3.31Å; K6-E10 PolarHBondContact O-N 3.43Å
7	K	84.1	Confident	78	Confident	100 Å²	100	115.5 Å²	115.5	44%	0.435	60%	0.596	S	S	.	*	H	α-helix	trans	-68.1	-36.4	179.1	-167.3	75.1	-158.4	161	0	111.8	N4 Q9 E10 I11	N4-K7 PolarHBondContact O-N 2.78Å; N4-K7 VanDerWaalsContact OD1-CB 3.22Å; N4-K7 WeakPolarHBondContact OD1-CB 3.33Å; N4-K7 PolarHBondContact OD1-N 3.17Å; K7-Q9 VanDerWaalsContact C-N 3.31Å; K7-E10 WeakPolarHBondContact CD-OE2 3.42Å; K7-E10 IonicContact NZ-OE2 2.75Å; K7-E10 PolarHBondContact NZ-OE2 2.66Å; K7-E10 PolarHBondContact O-N 3.26Å; K7-I11 HydrophobicContact CG-CD1 4.37Å; K7-I11 WeakPolarHBondContact O-CD1 3.46Å; K7-I11 VanDerWaalsContact O-CG1 3.26Å; K7-I11 WeakPolarHBondContact O-CG1 3.3Å; K7-I11 PolarHBondContact O-N 2.89Å
8	L	85.3	Confident	77.3	Confident	89 Å²	89	115.6 Å²	115.6	47%	0.466	59%	0.588	S	S	.	*	H	α-helix	trans	-60.2	-44.3	170.7	-77.2	171.2	0	0	0	111.2	C3 N4 S5 I11 I12	C3-L8 HydrophobicContact CB-CD2 4.33Å; C3-L8 HydrophobicContact CB-CG 4.17Å; N4-L8 PolarHBondContact O-N 3.47Å; N4-L8 VanDerWaalsContact O-N 3.08Å; S5-L8 PolarHBondContact O-N 3.42Å; L8-I11 PolarHBondContact O-N 3.21Å; L8-I12 VanDerWaalsContact O-CG1 3.29Å; L8-I12 WeakPolarHBondContact O-CG1 3.35Å; L8-I12 PolarHBondContact O-N 3.49Å
9	Q	85.5	Confident	76.6	Confident	115 Å²	115	114.1 Å²	114.1	54%	0.537	58%	0.581	S	S	.	*	H	α-helix	trans	-65.2	-42.8	179.2	-169	168	-12.3	0	0	112.3	S5 K6 K7 I11 I12 E13	S5-Q9 PolarHBondContact O-N 2.83Å; K6-Q9 PolarHBondContact O-N 3.42Å; K7-Q9 VanDerWaalsContact C-N 3.31Å; Q9-I11 VanDerWaalsContact C-N 3.3Å; Q9-I11 PolarHBondContact O-N 3.05Å; Q9-I12 PolarHBondContact O-N 2.97Å; Q9-E13 PolarHBondContact NE2-OE1 3.35Å; Q9-E13 WeakPolarHBondContact O-CB 3.42Å; Q9-E13 WeakPolarHBondContact O-CG 3.45Å; Q9-E13 PolarHBondContact O-N 2.94Å
10	E	84.4	Confident	75.8	Confident	79 Å²	79	112.2 Å²	112.2	37%	0.369	57%	0.57	S	S	.	*	H	α-helix	trans	-57.7	-41.4	172.9	-73.4	172.2	-166.1	0	0	112.3	K6 K7 H14	K6-E10 WeakPolarHBondContact O-CG 3.31Å; K6-E10 PolarHBondContact O-N 3.43Å; K7-E10 WeakPolarHBondContact CD-OE2 3.42Å; K7-E10 IonicContact NZ-OE2 2.75Å; K7-E10 PolarHBondContact NZ-OE2 2.66Å; K7-E10 PolarHBondContact O-N 3.26Å; E10-H14 WeakPolarHBondContact O-CB 3.5Å; E10-H14 PolarHBondContact O-N 2.99Å
11	I	80.2	Confident	75.2	Confident	74 Å²	74	108.1 Å²	108.1	38%	0.379	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-44.4	177.1	-68.6	164.5	0	0	0	110.2	K7 L8 Q9 H14 L15	K7-I11 HydrophobicContact CG-CD1 4.37Å; K7-I11 WeakPolarHBondContact O-CD1 3.46Å; K7-I11 VanDerWaalsContact O-CG1 3.26Å; K7-I11 WeakPolarHBondContact O-CG1 3.3Å; K7-I11 PolarHBondContact O-N 2.89Å; L8-I11 PolarHBondContact O-N 3.21Å; Q9-I11 VanDerWaalsContact C-N 3.3Å; Q9-I11 PolarHBondContact O-N 3.05Å; I11-H14 PolarHBondContact O-N 3.04Å; I11-L15 HydrophobicContact CG2-CD1 3.67Å; I11-L15 HydrophobicContact CG2-CG 4.2Å; I11-L15 WeakPolarHBondContact O-CB 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.43Å
12	I	81.6	Confident	75.6	Confident	94 Å²	94	104.1 Å²	104.1	48%	0.482	53%	0.528	S	S	.	.	H	α-helix	trans	-61.2	-47.8	177.3	-69.5	165.5	0	0	0	110.1	L8 Q9 H14 L15 T16	L8-I12 VanDerWaalsContact O-CG1 3.29Å; L8-I12 WeakPolarHBondContact O-CG1 3.35Å; L8-I12 PolarHBondContact O-N 3.49Å; Q9-I12 PolarHBondContact O-N 2.97Å; I12-H14 PolarHBondContact O-N 3.46Å; I12-L15 PolarHBondContact O-N 3.28Å; I12-T16 HydrophobicContact CG2-CG2 4.12Å; I12-T16 VanDerWaalsContact O-CB 3.3Å; I12-T16 WeakPolarHBondContact O-CB 3.35Å; I12-T16 VanDerWaalsContact O-CG2 3.26Å; I12-T16 WeakPolarHBondContact O-CG2 3.32Å; I12-T16 PolarHBondContact O-N 3.31Å; I12-T16 PolarHBondContact O-OG1 2.67Å
13	E	84.2	Confident	75.2	Confident	105 Å²	105	97 Å²	97	49%	0.491	50%	0.5	S	S	.	.	H	α-helix	trans	-59.7	-45.3	177.4	-74.9	172.7	-169	0	0	111.2	Q9 L15 T16 A17	Q9-E13 PolarHBondContact NE2-OE1 3.35Å; Q9-E13 WeakPolarHBondContact O-CB 3.42Å; Q9-E13 WeakPolarHBondContact O-CG 3.45Å; Q9-E13 PolarHBondContact O-N 2.94Å; E13-L15 PolarHBondContact O-N 2.91Å; E13-T16 WeakPolarHBondContact CA-OG1 3.29Å; E13-T16 PolarHBondContact O-N 3.06Å; E13-T16 PolarHBondContact O-OG1 3.48Å; E13-A17 WeakPolarHBondContact O-CB 3.39Å; E13-A17 PolarHBondContact O-N 3.07Å
14	H	78.5	Confident	74.7	Confident	147 Å²	147	97.7 Å²	97.7	68%	0.681	50%	0.503	S	S	*	.	H	α-helix	trans	-63.2	-42.9	176.6	-178.4	-87.9	0	0	0	112.8	E10 I11 I12 Y18	E10-H14 WeakPolarHBondContact O-CB 3.5Å; E10-H14 PolarHBondContact O-N 2.99Å; I11-H14 PolarHBondContact O-N 3.04Å; I12-H14 PolarHBondContact O-N 3.46Å; H14-Y18 PolarHBondContact O-N 2.83Å
15	L	74	Confident	73.3	Confident	115 Å²	115	100 Å²	100	60%	0.602	51%	0.514	S	S	*	.	H	α-helix	trans	-72.6	-31.2	179.6	-68.8	176.3	0	0	0	112.6	I11 I12 E13 Y18	I11-L15 HydrophobicContact CG2-CD1 3.67Å; I11-L15 HydrophobicContact CG2-CG 4.2Å; I11-L15 WeakPolarHBondContact O-CB 3.25Å; I11-L15 WeakPolarHBondContact O-CG 3.48Å; I11-L15 PolarHBondContact O-N 3.43Å; I12-L15 PolarHBondContact O-N 3.28Å; E13-L15 PolarHBondContact O-N 2.91Å; L15-Y18 WeakPolarHBondContact O-CB 3.44Å
16	T	75.4	Confident	72.1	Confident	104 Å²	104	103.4 Å²	103.4	64%	0.638	52%	0.519	S	S	*	.	H	α-helix	trans	-82.7	-27.6	175.9	53.1	0	0	0	0	112.5	I12 E13 Y18	I12-T16 HydrophobicContact CG2-CG2 4.12Å; I12-T16 VanDerWaalsContact O-CB 3.3Å; I12-T16 WeakPolarHBondContact O-CB 3.35Å; I12-T16 VanDerWaalsContact O-CG2 3.26Å; I12-T16 WeakPolarHBondContact O-CG2 3.32Å; I12-T16 PolarHBondContact O-N 3.31Å; I12-T16 PolarHBondContact O-OG1 2.67Å; E13-T16 WeakPolarHBondContact CA-OG1 3.29Å; E13-T16 PolarHBondContact O-N 3.06Å; E13-T16 PolarHBondContact O-OG1 3.48Å; T16-Y18 PolarHBondContact O-N 3.3Å
17	A	71.4	Confident	70.9	Confident	74 Å²	74	97.5 Å²	97.5	61%	0.612	50%	0.496	S	S	*	.	S	Bend	trans	-74.1	-2.9	170	0	0	0	0	0	113	E13 N19	E13-A17 WeakPolarHBondContact O-CB 3.39Å; E13-A17 PolarHBondContact O-N 3.07Å; A17-N19 PolarHBondContact O-N 3.29Å
18	Y	64.2	Low	70.1	Confident	118 Å²	118	97 Å²	97	46%	0.463	50%	0.501	S	S	.	.			trans	-56.6	105.4	174.9	176.8	-110.2	0	0	0	110.3	H14 L15 T16 Q20	H14-Y18 PolarHBondContact O-N 2.83Å; L15-Y18 WeakPolarHBondContact O-CB 3.44Å; T16-Y18 PolarHBondContact O-N 3.3Å; Y18-Q20 HydrophobicContact CD1-CG 4.46Å; Y18-Q20 HydrophobicContact CE1-CB 3.98Å; Y18-Q20 HydrophobicContact CE1-CG 3.46Å; Y18-Q20 VanDerWaalsContact CE1-CG 3.46Å; Y18-Q20 WeakPolarHBondContact OH-CG 3.22Å
19	N	64.7	Low	69	Low	86 Å²	86	99.9 Å²	99.9	46%	0.46	52%	0.517	S	S	.	.			trans	-97.5	101.8	175.9	-169.3	-19.3	0	0	0	108	A17 S21 K22	A17-N19 PolarHBondContact O-N 3.29Å; N19-S21 PolarHBondContact ND2-OG 3.27Å; N19-S21 PolarHBondContact O-N 3.15Å; N19-S21 VanDerWaalsContact O-N 3.08Å; N19-S21 WeakPolarHBondContact OD1-CB 3.3Å; N19-S21 PolarHBondContact OD1-N 2.93Å; N19-S21 VanDerWaalsContact OD1-N 3.11Å; N19-S21 PolarHBondContact OD1-OG 3.08Å; N19-K22 CarbonylContact O-C 3.45Å; N19-K22 WeakPolarHBondContact O-CA 3.26Å; N19-K22 PolarHBondContact O-N 2.99Å
20	Q	60.8	Low	67.9	Low	76 Å²	76	95.2 Å²	95.2	36%	0.355	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.8	-179.8	-132.1	156	25.4	0	0	113.5	Y18 K22	Y18-Q20 HydrophobicContact CD1-CG 4.46Å; Y18-Q20 HydrophobicContact CE1-CB 3.98Å; Y18-Q20 HydrophobicContact CE1-CG 3.46Å; Y18-Q20 VanDerWaalsContact CE1-CG 3.46Å; Y18-Q20 WeakPolarHBondContact OH-CG 3.22Å; Q20-K22 PolarHBondContact O-N 2.92Å
21	S	63	Low	67.4	Low	28 Å²	28	96.8 Å²	96.8	20%	0.196	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.3	169.8	89.8	0	0	0	0	111.9	N19 W43	N19-S21 PolarHBondContact ND2-OG 3.27Å; N19-S21 PolarHBondContact O-N 3.15Å; N19-S21 VanDerWaalsContact O-N 3.08Å; N19-S21 WeakPolarHBondContact OD1-CB 3.3Å; N19-S21 PolarHBondContact OD1-N 2.93Å; N19-S21 VanDerWaalsContact OD1-N 3.11Å; N19-S21 PolarHBondContact OD1-OG 3.08Å; S21-W43 WeakPolarHBondContact O-CZ2 3.26Å; S21-W43 PolarHBondContact O-NE1 3.5Å
22	K	60.7	Low	67	Low	163 Å²	163	99.5 Å²	99.5	71%	0.709	51%	0.509	S	S	*	.	S	Bend	trans	-117.3	76.9	172.9	-64.4	-175.5	179.5	-177.8	0	109.3	N19 Q20	N19-K22 CarbonylContact O-C 3.45Å; N19-K22 WeakPolarHBondContact O-CA 3.26Å; N19-K22 PolarHBondContact O-N 2.99Å; Q20-K22 PolarHBondContact O-N 2.92Å
23	L	56.1	Low	66.9	Low	63 Å²	63	101.6 Å²	101.6	33%	0.33	51%	0.512	S	S	.	.			trans	-61.3	143.2	168.4	-70	172.9	0	0	0	109.6	A30	L23-A30 HydrophobicContact CD1-CB 3.44Å; L23-A30 VanDerWaalsContact CD1-CB 3.44Å
24	P	59.1	Low	66.7	Low	80 Å²	80	100.5 Å²	100.5	52%	0.519	51%	0.509	S	S	.	.			trans	-58.8	142.8	168	24.7	-30.3	0	0	0	108.6	E26 S27	P24-E26 PolarHBondContact O-N 3.37Å; P24-S27 VanDerWaalsContact O-CB 3.24Å; P24-S27 WeakPolarHBondContact O-CB 3.37Å; P24-S27 PolarHBondContact O-N 3.07Å
25	I	55.6	Low	66.9	Low	148 Å²	148	94.4 Å²	94.4	76%	0.759	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20.9	-175.9	-161.9	163	0	0	0	112.9
26	E	58.7	Low	67.5	Low	170 Å²	170	97.8 Å²	97.8	79%	0.794	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-10.5	178.1	-61	169.7	-177.4	0	0	113.5	P24 T28	P24-E26 PolarHBondContact O-N 3.37Å; E26-T28 PolarHBondContact O-N 3.19Å
27	S	61.9	Low	67.7	Low	20 Å²	20	99.1 Å²	99.1	14%	0.14	50%	0.499	C	S	.	.			trans	-64.9	117.8	-179.5	-176.9	0	0	0	0	110.9	P24 L29	P24-S27 VanDerWaalsContact O-CB 3.24Å; P24-S27 WeakPolarHBondContact O-CB 3.37Å; P24-S27 PolarHBondContact O-N 3.07Å; S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact OG-N 2.8Å
28	T	67.1	Low	68	Low	89 Å²	89	102.6 Å²	102.6	55%	0.546	50%	0.496	S	S	.	.			trans	-82	-6.2	174.5	55.8	0	0	0	0	113	E26 A30 R31	E26-T28 PolarHBondContact O-N 3.19Å; T28-A30 VanDerWaalsContact C-N 3.35Å; T28-A30 PolarHBondContact O-N 3.47Å; T28-R31 WeakPolarHBondContact O-CB 3.46Å; T28-R31 PolarHBondContact O-N 2.67Å; T28-R31 VanDerWaalsContact O-N 3.17Å
29	L	62.1	Low	68.6	Low	150 Å²	150	100.8 Å²	100.8	79%	0.785	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-33.3	-174.9	-69.3	171.1	0	0	0	113	S27	S27-L29 VanDerWaalsContact C-N 3.27Å; S27-L29 PolarHBondContact OG-N 2.8Å
30	A	63.1	Low	68.9	Low	17 Å²	17	100.4 Å²	100.4	14%	0.14	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	8.9	176.2	0	0	0	0	0	113	L23 T28 K32	L23-A30 HydrophobicContact CD1-CB 3.44Å; L23-A30 VanDerWaalsContact CD1-CB 3.44Å; T28-A30 VanDerWaalsContact C-N 3.35Å; T28-A30 PolarHBondContact O-N 3.47Å; A30-K32 PolarHBondContact O-N 3.15Å
31	R	72.7	Confident	69.2	Low	112 Å²	112	102.7 Å²	102.7	42%	0.423	49%	0.493	S	S	.	.			trans	-74.3	108.6	-173	-170.3	179.1	68.2	165.1	-1.2	110.4	T28 Y39 Y41	T28-R31 WeakPolarHBondContact O-CB 3.46Å; T28-R31 PolarHBondContact O-N 2.67Å; T28-R31 VanDerWaalsContact O-N 3.17Å; R31-Y39 HydrophobicContact CG-CD1 3.3Å; R31-Y39 HydrophobicContact CG-CE1 4.06Å; R31-Y39 HydrophobicContact CG-CG 3.74Å; R31-Y41 HydrophobicContact CB-CE1 4.35Å; R31-Y41 HydrophobicContact CG-CE1 4.17Å
32	K	72	Confident	69.2	Low	131 Å²	131	102.8 Å²	102.8	57%	0.57	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	120	172.4	-171.2	175.2	-177.7	174.1	0	109.6	A30 L34 Y39 D40	A30-K32 PolarHBondContact O-N 3.15Å; K32-L34 PolarHBondContact O-N 2.82Å; K32-Y39 CarbonylContact O-C 3.44Å; K32-Y39 WeakPolarHBondContact O-CA 3.4Å; K32-D40 HydrophobicContact CB-CB 4.19Å; K32-D40 PolarHBondContact N-O 3.37Å; K32-D40 PolarHBondContact O-N 3.2Å
33	Y	79.6	Confident	68.9	Low	137 Å²	137	103.5 Å²	103.5	54%	0.537	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.7	178.6	-175	-121.9	0	0	0	111.1	R38 Y39	Y33-R38 WeakPolarHBondContact CD2-O 3.21Å; Y33-Y39 AromaticContact CD2-CD1 3.81Å; Y33-Y39 HydrophobicContact CD2-CD1 3.81Å; Y33-Y39 AromaticContact CD2-CE1 3.45Å; Y33-Y39 HydrophobicContact CD2-CE1 3.45Å; Y33-Y39 VanDerWaalsContact CD2-CE1 3.45Å; Y33-Y39 AromaticContact CD2-CZ 3.97Å; Y33-Y39 HydrophobicContact CE2-CE1 4.15Å; Y33-Y39 HydrophobicContact CG-CE1 4.34Å
34	L	79.8	Confident	68.8	Low	83 Å²	83	102.4 Å²	102.4	44%	0.435	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	8.9	-179.2	-61.8	-177.7	0	0	0	113.2	K32 R38 D40	K32-L34 PolarHBondContact O-N 2.82Å; L34-R38 HydrophobicContact CB-CB 4.05Å; L34-R38 PolarHBondContact N-O 3.41Å; L34-R38 PolarHBondContact O-NH2 3Å; L34-D40 HydrophobicContact CD1-CB 3.86Å; L34-D40 HydrophobicContact CD2-CB 4.27Å; L34-D40 HydrophobicContact CG-CB 4.05Å
35	G	82.6	Confident	68.4	Low	18 Å²	18	106.6 Å²	106.6	19%	0.186	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.8	162.5	-174.4	0	0	0	0	0	113.7	N37 R38	G35-N37 VanDerWaalsContact C-N 3.3Å; G35-N37 PolarHBondContact O-N 2.94Å; G35-R38 VanDerWaalsContact O-CB 3.23Å; G35-R38 WeakPolarHBondContact O-CB 3.49Å; G35-R38 WeakPolarHBondContact O-CG 3.27Å; G35-R38 PolarHBondContact O-N 3.24Å
36	F	86	Confident	68.3	Low	186 Å²	186	106.5 Å²	106.5	82%	0.816	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	42	177.6	-56.2	-79.1	0	0	0	114.1	R38	F36-R38 PolarHBondContact O-N 3.3Å; F36-R38 VanDerWaalsContact O-N 3.1Å
37	N	81.2	Confident	68.1	Low	133 Å²	133	100.7 Å²	100.7	71%	0.711	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	18.3	-175.2	-59.8	-34.6	0	0	0	114.4	G35 Y39	G35-N37 VanDerWaalsContact C-N 3.3Å; G35-N37 PolarHBondContact O-N 2.94Å; N37-Y39 WeakPolarHBondContact O-CD2 3.34Å; N37-Y39 WeakPolarHBondContact O-CE2 3.46Å
38	R	76.5	Confident	67.6	Low	146 Å²	146	104 Å²	104	55%	0.551	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	141.2	173.3	-56.6	-177.1	-60.5	-179.9	4.4	110.3	Y33 L34 G35 F36	Y33-R38 WeakPolarHBondContact CD2-O 3.21Å; L34-R38 HydrophobicContact CB-CB 4.05Å; L34-R38 PolarHBondContact N-O 3.41Å; L34-R38 PolarHBondContact O-NH2 3Å; G35-R38 VanDerWaalsContact O-CB 3.23Å; G35-R38 WeakPolarHBondContact O-CB 3.49Å; G35-R38 WeakPolarHBondContact O-CG 3.27Å; G35-R38 PolarHBondContact O-N 3.24Å; F36-R38 PolarHBondContact O-N 3.3Å; F36-R38 VanDerWaalsContact O-N 3.1Å
39	Y	77.7	Confident	66.9	Low	81 Å²	81	102.7 Å²	102.7	32%	0.318	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.7	178.6	-59.9	-81.8	0	0	0	108.9	R31 K32 Y33 N37	R31-Y39 HydrophobicContact CG-CD1 3.3Å; R31-Y39 HydrophobicContact CG-CE1 4.06Å; R31-Y39 HydrophobicContact CG-CG 3.74Å; K32-Y39 CarbonylContact O-C 3.44Å; K32-Y39 WeakPolarHBondContact O-CA 3.4Å; Y33-Y39 AromaticContact CD2-CD1 3.81Å; Y33-Y39 HydrophobicContact CD2-CD1 3.81Å; Y33-Y39 AromaticContact CD2-CE1 3.45Å; Y33-Y39 HydrophobicContact CD2-CE1 3.45Å; Y33-Y39 VanDerWaalsContact CD2-CE1 3.45Å; Y33-Y39 AromaticContact CD2-CZ 3.97Å; Y33-Y39 HydrophobicContact CE2-CE1 4.15Å; Y33-Y39 HydrophobicContact CG-CE1 4.34Å; N37-Y39 WeakPolarHBondContact O-CD2 3.34Å; N37-Y39 WeakPolarHBondContact O-CE2 3.46Å
40	D	71.4	Confident	66.5	Low	77 Å²	77	102.1 Å²	102.1	41%	0.412	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	138.9	165.1	-155.2	-11.8	0	0	0	108.9	K32 L34 G42	K32-D40 HydrophobicContact CB-CB 4.19Å; K32-D40 PolarHBondContact N-O 3.37Å; K32-D40 PolarHBondContact O-N 3.2Å; L34-D40 HydrophobicContact CD1-CB 3.86Å; L34-D40 HydrophobicContact CD2-CB 4.27Å; L34-D40 HydrophobicContact CG-CB 4.05Å; D40-G42 PolarHBondContact OD1-N 3.08Å
41	Y	66.4	Low	66	Low	124 Å²	124	106.1 Å²	106.1	49%	0.486	51%	0.508	S	S	.	.			trans	-112.7	44.1	171.6	-61.1	-88.6	0	0	0	108.5	R31	R31-Y41 HydrophobicContact CB-CE1 4.35Å; R31-Y41 HydrophobicContact CG-CE1 4.17Å
42	G	62.9	Low	65.2	Low	30 Å²	30	107.1 Å²	107.1	31%	0.309	53%	0.527	S	S	.	.			trans	-73.7	145.9	174.5	0	0	0	0	0	111.3	D40 S44	D40-G42 PolarHBondContact OD1-N 3.08Å; G42-S44 VanDerWaalsContact C-N 3.35Å; G42-S44 PolarHBondContact O-N 3.38Å
43	W	54.2	Low	64.8	Low	178 Å²	178	107.3 Å²	107.3	67%	0.674	53%	0.531	S	S	*	.			trans	-64.8	94.7	162.1	-72.4	30.2	0	0	0	108.4	S21 F45	S21-W43 WeakPolarHBondContact O-CZ2 3.26Å; S21-W43 PolarHBondContact O-NE1 3.5Å; W43-F45 PolarHBondContact O-N 2.74Å
44	S	55.1	Low	64.5	Low	41 Å²	41	107.9 Å²	107.9	29%	0.287	54%	0.536	S	S	.	.			trans	-77.6	117.5	167.7	73.7	0	0	0	0	108.2	G42 E46 S47 Q48	G42-S44 VanDerWaalsContact C-N 3.35Å; G42-S44 PolarHBondContact O-N 3.38Å; S44-E46 PolarHBondContact O-N 2.88Å; S44-E46 VanDerWaalsContact O-N 3.09Å; S44-S47 PolarHBondContact O-N 3.37Å; S44-S47 PolarHBondContact O-OG 3.47Å; S44-S47 VanDerWaalsContact OG-CB 3.25Å; S44-S47 WeakPolarHBondContact OG-CB 3.21Å; S44-S47 PolarHBondContact OG-N 3.18Å; S44-S47 PolarHBondContact OG-OG 3.32Å; S44-Q48 PolarHBondContact O-N 3.37Å
45	F	50.7	Low	64.4	Low	167 Å²	167	113.3 Å²	113.3	73%	0.732	56%	0.556	S	S	*	*	H	α-helix	trans	-52.6	-29	170.8	-165.3	-98.4	0	0	0	111.3	W43 S47 Q48 A49	W43-F45 PolarHBondContact O-N 2.74Å; F45-S47 PolarHBondContact O-N 3.07Å; F45-Q48 PolarHBondContact O-N 2.78Å; F45-A49 VanDerWaalsContact O-CB 3.27Å; F45-A49 WeakPolarHBondContact O-CB 3.05Å; F45-A49 PolarHBondContact O-N 3.41Å
46	E	53.4	Low	64.4	Low	147 Å²	147	116.7 Å²	116.7	69%	0.687	57%	0.57	S	S	*	*	H	α-helix	trans	-65	-32.3	174.5	-64.6	168	172.3	0	0	113.9	S44	S44-E46 PolarHBondContact O-N 2.88Å; S44-E46 VanDerWaalsContact O-N 3.09Å
47	S	54	Low	64.6	Low	47 Å²	47	111.3 Å²	111.3	33%	0.329	55%	0.552	S	S	.	*	H	α-helix	trans	-80.9	-23.2	174.3	57.6	0	0	0	0	112.7	S44 F45	S44-S47 PolarHBondContact O-N 3.37Å; S44-S47 PolarHBondContact O-OG 3.47Å; S44-S47 VanDerWaalsContact OG-CB 3.25Å; S44-S47 WeakPolarHBondContact OG-CB 3.21Å; S44-S47 PolarHBondContact OG-N 3.18Å; S44-S47 PolarHBondContact OG-OG 3.32Å; F45-S47 PolarHBondContact O-N 3.07Å
48	Q	52	Low	64.9	Low	89 Å²	89	112.9 Å²	112.9	42%	0.416	55%	0.552	S	S	.	*	H	α-helix	trans	-78.6	-38.3	168.6	-77.3	-179.4	6.9	0	0	112.5	S44 F45 N50 L51	S44-Q48 PolarHBondContact O-N 3.37Å; F45-Q48 PolarHBondContact O-N 2.78Å; Q48-N50 VanDerWaalsContact C-N 3.28Å; Q48-N50 PolarHBondContact O-N 2.8Å; Q48-L51 PolarHBondContact O-N 3.49Å
49	A	52.1	Low	65.5	Low	63 Å²	63	113.5 Å²	113.5	52%	0.521	56%	0.562	S	S	.	*	H	α-helix	trans	-67.7	-24.8	-172.5	0	0	0	0	0	114	F45	F45-A49 VanDerWaalsContact O-CB 3.27Å; F45-A49 WeakPolarHBondContact O-CB 3.05Å; F45-A49 PolarHBondContact O-N 3.41Å
50	N	52.3	Low	65.9	Low	137 Å²	137	112.2 Å²	112.2	73%	0.733	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	2.4	-179.8	-74.4	-39.5	0	0	0	114.4	Q48 T52	Q48-N50 VanDerWaalsContact C-N 3.28Å; Q48-N50 PolarHBondContact O-N 2.8Å; N50-T52 PolarHBondContact O-N 3.47Å; N50-T52 VanDerWaalsContact O-N 3.08Å
51	L	53.7	Low	66.7	Low	102 Å²	102	112.4 Å²	112.4	53%	0.534	56%	0.559	S	S	.	*			trans	-83.9	75	165.5	-76.7	166.2	0	0	0	108.3	Q48 M53	Q48-L51 PolarHBondContact O-N 3.49Å; L51-M53 PolarHBondContact O-N 3.3Å
52	T	55.5	Low	67.8	Low	133 Å²	133	111.1 Å²	111.1	82%	0.816	56%	0.56	S	S	*	*			trans	-62.5	86.4	157.4	45.6	0	0	0	0	107	N50 K54	N50-T52 PolarHBondContact O-N 3.47Å; N50-T52 VanDerWaalsContact O-N 3.08Å; T52-K54 PolarHBondContact O-N 2.92Å
53	M	63.1	Low	69	Low	134 Å²	134	114.6 Å²	114.6	66%	0.66	57%	0.571	S	S	*	*			trans	-61.4	106	173.7	-69.2	-153.8	-60.2	0	0	106.9	L51 K55	L51-M53 PolarHBondContact O-N 3.3Å; M53-K55 PolarHBondContact O-N 2.88Å
54	K	73.4	Confident	70.5	Confident	150 Å²	150	108.9 Å²	108.9	65%	0.652	56%	0.556	S	S	*	*			trans	-57.9	112.5	171.1	-174.1	-171.6	-178.4	-166	0	106.8	T52 L56 E60	T52-K54 PolarHBondContact O-N 2.92Å; K54-L56 PolarHBondContact O-N 3.36Å; K54-L56 VanDerWaalsContact O-N 3.15Å; K54-E60 IonicContact NZ-OE1 2.66Å; K54-E60 PolarHBondContact NZ-OE1 2.75Å
55	K	79.1	Confident	72	Confident	197 Å²	197	111.1 Å²	111.1	86%	0.857	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-62.9	117.6	168.7	-71.8	-175.4	178.4	179.9	0	107	M53	M53-K55 PolarHBondContact O-N 2.88Å
56	L	82.6	Confident	73.7	Confident	89 Å²	89	108.3 Å²	108.3	47%	0.466	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-71.3	138.9	176.1	-62.9	179.5	0	0	0	109.4	K54 E60 I61	K54-L56 PolarHBondContact O-N 3.36Å; K54-L56 VanDerWaalsContact O-N 3.15Å; L56-E60 WeakPolarHBondContact CA-OE2 3.29Å; L56-E60 HydrophobicContact CB-CB 4.03Å; L56-E60 HydrophobicContact CD2-CB 4.12Å; L56-I61 HydrophobicContact CB-CD1 4.38Å; L56-I61 HydrophobicContact CB-CG1 3.86Å; L56-I61 HydrophobicContact CD1-CG1 4.43Å
57	T	89.7	Confident	75.2	Confident	72 Å²	72	108.5 Å²	108.5	44%	0.442	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-67.4	160.7	168.2	59.9	0	0	0	0	110.2	E59 E60 I61	T57-E59 PolarHBondContact O-N 3.08Å; T57-E60 PolarHBondContact N-OE2 3.36Å; T57-E60 PolarHBondContact O-N 3.28Å; T57-E60 VanDerWaalsContact OG1-CG 3.31Å; T57-E60 WeakPolarHBondContact OG1-CG 3.44Å; T57-E60 PolarHBondContact OG1-N 3.03Å; T57-E60 PolarHBondContact OG1-OE2 3.25Å; T57-I61 WeakPolarHBondContact O-CG1 3.27Å; T57-I61 PolarHBondContact O-N 3.08Å
58	K	87.4	Confident	76.5	Confident	166 Å²	166	111.3 Å²	111.3	72%	0.722	56%	0.558	S	S	*	*	H	α-helix	trans	-55.5	-37.3	174.5	-174.5	-178.8	177.8	-175.7	0	111.7	I61 L62	K58-I61 PolarHBondContact O-N 3.11Å; K58-L62 HydrophobicContact CG-CD1 4.24Å; K58-L62 WeakPolarHBondContact O-CB 3.5Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.33Å; K58-L62 PolarHBondContact O-N 2.91Å
59	E	89.4	Confident	77.9	Confident	159 Å²	159	111.4 Å²	111.4	74%	0.743	57%	0.569	S	S	*	*	H	α-helix	trans	-65.3	-44.8	177.8	-67.7	174.4	-175.9	0	0	112.2	T57 I61 L62 N63	T57-E59 PolarHBondContact O-N 3.08Å; E59-I61 VanDerWaalsContact C-N 3.31Å; E59-I61 PolarHBondContact O-N 3.02Å; E59-L62 PolarHBondContact O-N 3.33Å; E59-N63 WeakPolarHBondContact O-CB 3.06Å; E59-N63 PolarHBondContact O-N 3.33Å
60	E	86.7	Confident	79.2	Confident	54 Å²	54	114.9 Å²	114.9	25%	0.252	57%	0.574	S	S	.	*	H	α-helix	trans	-62	-40.6	175.5	-74.6	169	130	0	0	111.5	K54 L56 T57 N63 V64	K54-E60 IonicContact NZ-OE1 2.66Å; K54-E60 PolarHBondContact NZ-OE1 2.75Å; L56-E60 WeakPolarHBondContact CA-OE2 3.29Å; L56-E60 HydrophobicContact CB-CB 4.03Å; L56-E60 HydrophobicContact CD2-CB 4.12Å; T57-E60 PolarHBondContact N-OE2 3.36Å; T57-E60 PolarHBondContact O-N 3.28Å; T57-E60 VanDerWaalsContact OG1-CG 3.31Å; T57-E60 WeakPolarHBondContact OG1-CG 3.44Å; T57-E60 PolarHBondContact OG1-N 3.03Å; T57-E60 PolarHBondContact OG1-OE2 3.25Å; E60-N63 PolarHBondContact O-N 3.3Å; E60-V64 WeakPolarHBondContact O-CG2 3.39Å; E60-V64 PolarHBondContact O-N 2.82Å
61	I	87.4	Confident	80.3	Confident	82 Å²	82	115 Å²	115	42%	0.421	57%	0.566	S	S	.	*	H	α-helix	trans	-63.4	-45.9	176	-65.2	169.2	0	0	0	110.5	L56 T57 K58 E59 N63 V64 I65	L56-I61 HydrophobicContact CB-CD1 4.38Å; L56-I61 HydrophobicContact CB-CG1 3.86Å; L56-I61 HydrophobicContact CD1-CG1 4.43Å; T57-I61 WeakPolarHBondContact O-CG1 3.27Å; T57-I61 PolarHBondContact O-N 3.08Å; K58-I61 PolarHBondContact O-N 3.11Å; E59-I61 VanDerWaalsContact C-N 3.31Å; E59-I61 PolarHBondContact O-N 3.02Å; I61-N63 VanDerWaalsContact C-N 3.35Å; I61-N63 PolarHBondContact O-N 3.27Å; I61-V64 PolarHBondContact O-N 3.29Å; I61-I65 HydrophobicContact CG2-CD1 3.88Å; I61-I65 VanDerWaalsContact O-CG1 3.32Å; I61-I65 WeakPolarHBondContact O-CG1 3.15Å; I61-I65 PolarHBondContact O-N 3.11Å
62	L	88.9	Confident	81.3	Confident	96 Å²	96	113.4 Å²	113.4	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-62.5	-40.7	178	-74.4	171.6	0	0	0	112.2	K58 E59 V64 I65 E66	K58-L62 HydrophobicContact CG-CD1 4.24Å; K58-L62 WeakPolarHBondContact O-CB 3.5Å; K58-L62 VanDerWaalsContact O-CG 3.3Å; K58-L62 WeakPolarHBondContact O-CG 3.33Å; K58-L62 PolarHBondContact O-N 2.91Å; E59-L62 PolarHBondContact O-N 3.33Å; L62-V64 PolarHBondContact O-N 2.79Å; L62-I65 PolarHBondContact O-N 2.89Å; L62-E66 WeakPolarHBondContact O-CB 3.43Å; L62-E66 PolarHBondContact O-N 2.57Å
63	N	87.6	Confident	82.2	Confident	103 Å²	103	113.3 Å²	113.3	55%	0.551	55%	0.551	S	S	*	*	H	α-helix	trans	-61.4	-44.1	175.5	-175.6	-10.8	0	0	0	111.4	E59 E60 I61 I65 E66 R67	E59-N63 WeakPolarHBondContact O-CB 3.06Å; E59-N63 PolarHBondContact O-N 3.33Å; E60-N63 PolarHBondContact O-N 3.3Å; I61-N63 VanDerWaalsContact C-N 3.35Å; I61-N63 PolarHBondContact O-N 3.27Å; N63-I65 VanDerWaalsContact C-N 3.34Å; N63-I65 PolarHBondContact O-N 2.75Å; N63-E66 PolarHBondContact O-N 3.49Å; N63-R67 WeakPolarHBondContact O-CB 2.8Å; N63-R67 PolarHBondContact O-N 2.78Å
64	V	86	Confident	83	Confident	58 Å²	58	113.6 Å²	113.6	35%	0.352	55%	0.554	S	S	.	*	H	α-helix	trans	-60.7	-44.1	174.6	172.4	0	0	0	0	111.1	E60 I61 L62 R67 L68	E60-V64 WeakPolarHBondContact O-CG2 3.39Å; E60-V64 PolarHBondContact O-N 2.82Å; I61-V64 PolarHBondContact O-N 3.29Å; L62-V64 PolarHBondContact O-N 2.79Å; V64-R67 PolarHBondContact O-N 3.27Å; V64-L68 HydrophobicContact CG1-CD1 3.89Å; V64-L68 HydrophobicContact CG1-CG 4.41Å; V64-L68 WeakPolarHBondContact O-CB 3.3Å; V64-L68 VanDerWaalsContact O-CG 3.25Å; V64-L68 WeakPolarHBondContact O-CG 3.13Å; V64-L68 PolarHBondContact O-N 3.32Å
65	I	87.5	Confident	83	Confident	89 Å²	89	113.7 Å²	113.7	46%	0.456	56%	0.555	S	S	.	*	H	α-helix	trans	-61.5	-46.5	177.2	-68.9	167.3	0	0	0	110.8	I61 L62 N63 L68 S69	I61-I65 HydrophobicContact CG2-CD1 3.88Å; I61-I65 VanDerWaalsContact O-CG1 3.32Å; I61-I65 WeakPolarHBondContact O-CG1 3.15Å; I61-I65 PolarHBondContact O-N 3.11Å; L62-I65 PolarHBondContact O-N 2.89Å; N63-I65 VanDerWaalsContact C-N 3.34Å; N63-I65 PolarHBondContact O-N 2.75Å; I65-L68 PolarHBondContact O-N 2.94Å; I65-S69 WeakPolarHBondContact O-CB 3.48Å; I65-S69 PolarHBondContact O-N 3.34Å; I65-S69 PolarHBondContact O-OG 3.4Å
66	E	87	Confident	82.2	Confident	107 Å²	107	112.1 Å²	112.1	50%	0.5	55%	0.545	S	S	.	.	H	α-helix	trans	-59.3	-50.4	178.4	-177.6	174.2	-163.4	0	0	111	L62 N63 L68 S69 Q70	L62-E66 WeakPolarHBondContact O-CB 3.43Å; L62-E66 PolarHBondContact O-N 2.57Å; N63-E66 PolarHBondContact O-N 3.49Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 3.49Å; E66-S69 WeakPolarHBondContact CA-OG 3.29Å; E66-S69 PolarHBondContact O-N 2.96Å; E66-S69 PolarHBondContact O-OG 2.98Å; E66-Q70 WeakPolarHBondContact O-CG 3.28Å; E66-Q70 PolarHBondContact O-N 3.03Å; E66-Q70 PolarHBondContact OE1-NE2 2.81Å
67	R	83.7	Confident	81.4	Confident	151 Å²	151	110.8 Å²	110.8	57%	0.57	54%	0.542	S	S	*	.	H	α-helix	trans	-57	-41.6	177.2	-171.9	-178.7	68	150	1.1	112.3	N63 V64 Y71	N63-R67 WeakPolarHBondContact O-CB 2.8Å; N63-R67 PolarHBondContact O-N 2.78Å; V64-R67 PolarHBondContact O-N 3.27Å; R67-Y71 PolarHBondContact O-N 3.24Å
68	L	82.1	Confident	80.4	Confident	107 Å²	107	114 Å²	114	56%	0.56	56%	0.564	S	S	*	*	H	α-helix	trans	-72.3	-32.8	177.6	-70.2	174.6	0	0	0	112.5	V64 I65 E66 Q70 Y71	V64-L68 HydrophobicContact CG1-CD1 3.89Å; V64-L68 HydrophobicContact CG1-CG 4.41Å; V64-L68 WeakPolarHBondContact O-CB 3.3Å; V64-L68 VanDerWaalsContact O-CG 3.25Å; V64-L68 WeakPolarHBondContact O-CG 3.13Å; V64-L68 PolarHBondContact O-N 3.32Å; I65-L68 PolarHBondContact O-N 2.94Å; E66-L68 VanDerWaalsContact C-N 3.29Å; E66-L68 PolarHBondContact O-N 3.49Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-Y71 VanDerWaalsContact O-CB 3.27Å; L68-Y71 WeakPolarHBondContact O-CB 3.16Å; L68-Y71 PolarHBondContact O-N 3.09Å
69	S	81.2	Confident	79.4	Confident	91 Å²	91	114 Å²	114	64%	0.636	57%	0.566	S	S	*	*	H	α-helix	trans	-70.1	-29.6	178.1	75.1	0	0	0	0	113	I65 E66 Y71	I65-S69 WeakPolarHBondContact O-CB 3.48Å; I65-S69 PolarHBondContact O-N 3.34Å; I65-S69 PolarHBondContact O-OG 3.4Å; E66-S69 WeakPolarHBondContact CA-OG 3.29Å; E66-S69 PolarHBondContact O-N 2.96Å; E66-S69 PolarHBondContact O-OG 2.98Å; S69-Y71 VanDerWaalsContact C-N 3.33Å
70	Q	78.5	Confident	78.2	Confident	135 Å²	135	108.5 Å²	108.5	63%	0.631	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-3.7	176.2	-64.5	177.1	6.9	0	0	113	E66 L68 D72	E66-Q70 WeakPolarHBondContact O-CG 3.28Å; E66-Q70 PolarHBondContact O-N 3.03Å; E66-Q70 PolarHBondContact OE1-NE2 2.81Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; Q70-D72 PolarHBondContact O-N 3.19Å
71	Y	75.2	Confident	77.2	Confident	141 Å²	141	114 Å²	114	55%	0.553	57%	0.568	S	S	*	*			trans	-63	122	-179.6	-179.7	-98.9	0	0	0	111.1	R67 L68 S69 I73	R67-Y71 PolarHBondContact O-N 3.24Å; L68-Y71 VanDerWaalsContact O-CB 3.27Å; L68-Y71 WeakPolarHBondContact O-CB 3.16Å; L68-Y71 PolarHBondContact O-N 3.09Å; S69-Y71 VanDerWaalsContact C-N 3.33Å; Y71-I73 HydrophobicContact CE1-CB 4.31Å
72	D	76.5	Confident	76	Confident	68 Å²	68	113.2 Å²	113.2	36%	0.364	58%	0.581	S	S	.	*			trans	-118.4	119.4	173.8	173.8	5.6	0	0	0	108.2	Q70 N74 K75	Q70-D72 PolarHBondContact O-N 3.19Å; D72-N74 PolarHBondContact O-N 2.92Å; D72-N74 VanDerWaalsContact O-N 3.08Å; D72-N74 PolarHBondContact OD1-N 3.17Å; D72-N74 PolarHBondContact OD1-ND2 3.17Å; D72-K75 HydrophobicContact CB-CB 4.01Å; D72-K75 CarbonylContact O-C 3.58Å; D72-K75 PolarHBondContact O-N 3.42Å
73	I	74.4	Confident	74.7	Confident	131 Å²	131	112.2 Å²	112.2	67%	0.672	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-23.7	-177.2	-165.6	166.7	0	0	0	113.3	Y71	Y71-I73 HydrophobicContact CE1-CB 4.31Å
74	N	78.5	Confident	73.4	Confident	139 Å²	139	112.9 Å²	112.9	74%	0.743	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-7.5	178.7	-53.9	-63.1	0	0	0	112.6	D72	D72-N74 PolarHBondContact O-N 2.92Å; D72-N74 VanDerWaalsContact O-N 3.08Å; D72-N74 PolarHBondContact OD1-N 3.17Å; D72-N74 PolarHBondContact OD1-ND2 3.17Å
75	K	73	Confident	71.9	Confident	153 Å²	153	119.3 Å²	119.3	67%	0.665	60%	0.599	S	S	*	*	S	Bend	trans	-117	123.1	178.3	-104.7	179.6	176.9	179.4	0	109.2	D72	D72-K75 HydrophobicContact CB-CB 4.01Å; D72-K75 CarbonylContact O-C 3.58Å; D72-K75 PolarHBondContact O-N 3.42Å
76	Y	63.5	Low	70.3	Confident	164 Å²	164	124.7 Å²	124.7	64%	0.643	62%	0.619	S	S	*	*			trans	-69.1	143.1	177.6	-64.2	-68.5	0	0	0	111.9	H83	Y76-H83 WeakPolarHBondContact CB-CE1 3.42Å; Y76-H83 WeakPolarHBondContact CB-NE2 3.23Å; Y76-H83 AromaticContact CD1-CE1 2.8Å; Y76-H83 WeakPolarHBondContact CD1-CE1 3.45Å; Y76-H83 AromaticContact CD1-ND1 3.28Å; Y76-H83 VanDerWaalsContact CD1-ND1 3.28Å; Y76-H83 WeakPolarHBondContact CD1-ND1 2.79Å; Y76-H83 AromaticContact CD1-NE2 3.53Å; Y76-H83 AromaticContact CD2-CD2 3.93Å; Y76-H83 AromaticContact CD2-CE1 3.48Å; Y76-H83 VanDerWaalsContact CD2-CE1 3.48Å; Y76-H83 WeakPolarHBondContact CD2-CE1 3.44Å; Y76-H83 AromaticContact CD2-CG 3.51Å; Y76-H83 AromaticContact CD2-ND1 3.11Å; Y76-H83 WeakPolarHBondContact CD2-ND1 3.14Å; Y76-H83 AromaticContact CD2-NE2 3.94Å; Y76-H83 AromaticContact CE1-CE1 3.15Å; Y76-H83 WeakPolarHBondContact CE1-CE1 3.48Å; Y76-H83 AromaticContact CE1-ND1 3.29Å; Y76-H83 VanDerWaalsContact CE1-ND1 3.29Å; Y76-H83 WeakPolarHBondContact CE1-ND1 3.24Å; Y76-H83 AromaticContact CE2-CE1 3.8Å; Y76-H83 AromaticContact CE2-CG 3.84Å; Y76-H83 AromaticContact CE2-ND1 3.16Å; Y76-H83 WeakPolarHBondContact CE2-ND1 3.37Å; Y76-H83 AromaticContact CG-CD2 3.7Å; Y76-H83 AromaticContact CG-CE1 2.91Å; Y76-H83 AromaticContact CG-CG 3.69Å; Y76-H83 AromaticContact CG-ND1 3.13Å; Y76-H83 AromaticContact CG-NE2 3.27Å; Y76-H83 VanDerWaalsContact CG-NE2 3.27Å; Y76-H83 AromaticContact CZ-CE1 3.63Å; Y76-H83 AromaticContact CZ-ND1 3.21Å
77	P	66.3	Low	68.5	Low	61 Å²	61	131.2 Å²	131.2	40%	0.396	66%	0.656	S	S	.	*			trans	-55.7	139.5	173.2	-18.6	27	0	0	0	109.6	E79 S80	P77-E79 PolarHBondContact O-N 3.43Å; P77-S80 VanDerWaalsContact O-CB 3.29Å; P77-S80 WeakPolarHBondContact O-CB 3.11Å; P77-S80 PolarHBondContact O-N 2.86Å
78	P	66.9	Low	67.8	Low	139 Å²	139	130.2 Å²	130.2	90%	0.903	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-24.4	-179.7	19.9	-30.5	0	0	0	113.2
79	E	68.1	Low	67	Low	166 Å²	166	131.4 Å²	131.4	78%	0.776	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-3.2	177.7	-59.1	-175.2	-174.6	0	0	114.1	P77 K81	P77-E79 PolarHBondContact O-N 3.43Å; E79-K81 PolarHBondContact O-N 3.19Å
80	S	63	Low	66.2	Low	44 Å²	44	133.7 Å²	133.7	31%	0.308	67%	0.667	S	S	.	*			trans	-75.4	120.3	-179.6	170.5	0	0	0	0	110.8	P77 G82 H83	P77-S80 VanDerWaalsContact O-CB 3.29Å; P77-S80 WeakPolarHBondContact O-CB 3.11Å; P77-S80 PolarHBondContact O-N 2.86Å; S80-G82 VanDerWaalsContact C-N 3.26Å; S80-G82 PolarHBondContact O-N 2.83Å; S80-G82 PolarHBondContact OG-N 2.93Å; S80-H83 VanDerWaalsContact CB-NE2 3.3Å; S80-H83 WeakPolarHBondContact CB-NE2 3.25Å; S80-H83 PolarHBondContact O-CD2 3.2Å; S80-H83 PolarHBondContact O-NE2 2.98Å; S80-H83 PolarHBondContact OG-CE1 3.04Å; S80-H83 VanDerWaalsContact OG-CE1 3.29Å; S80-H83 PolarHBondContact OG-NE2 3.49Å
81	K	66	Low	65.5	Low	169 Å²	169	133.6 Å²	133.6	74%	0.735	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-82	0.4	171.6	-64.7	-174.5	-179	179.8	0	113.5	E79 H83 I84	E79-K81 PolarHBondContact O-N 3.19Å; K81-H83 PolarHBondContact O-N 3.45Å; K81-H83 VanDerWaalsContact O-N 3.11Å; K81-I84 HydrophobicContact CB-CD1 4.02Å; K81-I84 HydrophobicContact CG-CD1 4.06Å; K81-I84 PolarHBondContact O-N 2.9Å
82	G	61.4	Low	64.9	Low	66 Å²	66	133.1 Å²	133.1	68%	0.68	68%	0.676	S	S	*	*	G	3₁₀ helix	trans	-62.5	-18.8	-174.8	0	0	0	0	0	114.9	S80	S80-G82 VanDerWaalsContact C-N 3.26Å; S80-G82 PolarHBondContact O-N 2.83Å; S80-G82 PolarHBondContact OG-N 2.93Å
83	H	61.5	Low	64.1	Low	75 Å²	75	137.5 Å²	137.5	35%	0.347	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-93.5	-10.4	-176.4	-34	-45.2	0	0	0	112.3	Y76 S80 K81 K85	Y76-H83 WeakPolarHBondContact CB-CE1 3.42Å; Y76-H83 WeakPolarHBondContact CB-NE2 3.23Å; Y76-H83 AromaticContact CD1-CE1 2.8Å; Y76-H83 WeakPolarHBondContact CD1-CE1 3.45Å; Y76-H83 AromaticContact CD1-ND1 3.28Å; Y76-H83 VanDerWaalsContact CD1-ND1 3.28Å; Y76-H83 WeakPolarHBondContact CD1-ND1 2.79Å; Y76-H83 AromaticContact CD1-NE2 3.53Å; Y76-H83 AromaticContact CD2-CD2 3.93Å; Y76-H83 AromaticContact CD2-CE1 3.48Å; Y76-H83 VanDerWaalsContact CD2-CE1 3.48Å; Y76-H83 WeakPolarHBondContact CD2-CE1 3.44Å; Y76-H83 AromaticContact CD2-CG 3.51Å; Y76-H83 AromaticContact CD2-ND1 3.11Å; Y76-H83 WeakPolarHBondContact CD2-ND1 3.14Å; Y76-H83 AromaticContact CD2-NE2 3.94Å; Y76-H83 AromaticContact CE1-CE1 3.15Å; Y76-H83 WeakPolarHBondContact CE1-CE1 3.48Å; Y76-H83 AromaticContact CE1-ND1 3.29Å; Y76-H83 VanDerWaalsContact CE1-ND1 3.29Å; Y76-H83 WeakPolarHBondContact CE1-ND1 3.24Å; Y76-H83 AromaticContact CE2-CE1 3.8Å; Y76-H83 AromaticContact CE2-CG 3.84Å; Y76-H83 AromaticContact CE2-ND1 3.16Å; Y76-H83 WeakPolarHBondContact CE2-ND1 3.37Å; Y76-H83 AromaticContact CG-CD2 3.7Å; Y76-H83 AromaticContact CG-CE1 2.91Å; Y76-H83 AromaticContact CG-CG 3.69Å; Y76-H83 AromaticContact CG-ND1 3.13Å; Y76-H83 AromaticContact CG-NE2 3.27Å; Y76-H83 VanDerWaalsContact CG-NE2 3.27Å; Y76-H83 AromaticContact CZ-CE1 3.63Å; Y76-H83 AromaticContact CZ-ND1 3.21Å; S80-H83 VanDerWaalsContact CB-NE2 3.3Å; S80-H83 WeakPolarHBondContact CB-NE2 3.25Å; S80-H83 PolarHBondContact O-CD2 3.2Å; S80-H83 PolarHBondContact O-NE2 2.98Å; S80-H83 PolarHBondContact OG-CE1 3.04Å; S80-H83 VanDerWaalsContact OG-CE1 3.29Å; S80-H83 PolarHBondContact OG-NE2 3.49Å; K81-H83 PolarHBondContact O-N 3.45Å; K81-H83 VanDerWaalsContact O-N 3.11Å; H83-K85 VanDerWaalsContact C-N 3.31Å; H83-K85 PolarHBondContact O-N 3.28Å
84	I	61.1	Low	63.4	Low	117 Å²	117	137.9 Å²	137.9	60%	0.6	70%	0.699	S	S	*	*			trans	-74.9	92.4	177.9	-53.4	176	0	0	0	106	K81 K86	K81-I84 HydrophobicContact CB-CD1 4.02Å; K81-I84 HydrophobicContact CG-CD1 4.06Å; K81-I84 PolarHBondContact O-N 2.9Å; I84-K86 PolarHBondContact O-N 2.92Å
85	K	55	Low	62.2	Low	193 Å²	193	137.8 Å²	137.8	84%	0.839	70%	0.696	S	S	*	*			trans	-55.8	113.4	159.9	-81.2	-174.3	177.6	-178.8	0	105.9	H83 L87	H83-K85 VanDerWaalsContact C-N 3.31Å; H83-K85 PolarHBondContact O-N 3.28Å; K85-L87 PolarHBondContact O-N 3.1Å
86	K	53.7	Low	61.3	Low	202 Å²	202	136.6 Å²	136.6	88%	0.878	70%	0.698	S	S	*	*			trans	-58.9	111.4	162.6	-76.7	-176.2	176	-178.6	0	106	I84	I84-K86 PolarHBondContact O-N 2.92Å
87	L	49.5	Very low	61.1	Low	243 Å²	243	134.1 Å²	134.1	100%	1.272	70%	0.703	S	S	*	*			trans	-62.1	0	158.3	-78.4	164.2	0	0	0	108.9	K85	K85-L87 PolarHBondContact O-N 3.1Å

Retrieved 87 of 87 residues in 34.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).