A0A087XXC7_POEFO Loading...

DnaJ homolog subfamily C member 12

Probable co-chaperone that participates in the proper folding of biopterin-dependent aromatic amino acid hydroxylases, which include phenylalanine-4-hydroxylase (PAH), tyrosine 3-monooxygenase (TH) and peripheral and neuronal tryptophan hydroxylases (TPH1 and TPH2).

AlphaFold DB , UniProt , Accession A0A087XXC7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 aa.

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	39.7	Very low	55.5	Low	228 Å²	228	123.5 Å²	123.5	100%	1.123	66%	0.66	S	S	*	*				0	-14.5	0	-45	-176.9	-159.2	0	0	112	A3	M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 2.86Å
2	E	38.1	Very low	56.8	Low	182 Å²	182	119.6 Å²	119.6	85%	0.85	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-78.1	-7.1	-178.7	-61.7	-161	136.6	0	0	115.7	I4	E2-I4 VanDerWaalsContact C-N 3.29Å; E2-I4 PolarHBondContact O-N 2.92Å
3	A	44.1	Very low	58.6	Low	96 Å²	96	121.7 Å²	121.7	79%	0.793	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-75.6	-9.2	-176.3	0	0	0	0	0	114.9	M1	M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 2.86Å
4	I	50.7	Low	60.9	Low	159 Å²	159	116.1 Å²	116.1	82%	0.815	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-85.4	-23.4	-179.4	-58.1	172.3	0	0	0	111.4	E2	E2-I4 VanDerWaalsContact C-N 3.29Å; E2-I4 PolarHBondContact O-N 2.92Å
5	L	56.6	Low	63	Low	161 Å²	161	109.6 Å²	109.6	84%	0.843	58%	0.577	S	S	*	*	S	Bend	trans	-98.6	1.3	178.7	-77.5	169.7	0	0	0	114.3	R7	L5-R7 PolarHBondContact O-N 2.9Å
6	G	52.8	Low	64.8	Low	55 Å²	55	103.3 Å²	103.3	57%	0.567	54%	0.543	S	S	*	.			trans	41.8	30.5	158.6	0	0	0	0	0	117.3	K8	G6-K8 PolarHBondContact O-N 3.15Å; G6-K8 VanDerWaalsContact O-N 3.12Å
7	R	60.3	Low	66.3	Low	121 Å²	121	98.4 Å²	98.4	46%	0.457	52%	0.523	S	S	.	.			trans	-74.4	111.4	-176.3	-167	-168.3	-70.7	-105.5	5.9	106.3	L5 D11 G17	L5-R7 PolarHBondContact O-N 2.9Å; R7-D11 HydrophobicContact CG-CB 3.8Å; R7-G17 PolarHBondContact NH1-O 2.77Å; R7-G17 VanDerWaalsContact NH1-O 3.1Å
8	K	66.4	Low	67.6	Low	122 Å²	122	93.6 Å²	93.6	53%	0.53	50%	0.498	S	S	.	.			trans	-73.2	150.3	176.8	-69.7	171.2	169	-174	0	108.5	G6 E10 D11	G6-K8 PolarHBondContact O-N 3.15Å; G6-K8 VanDerWaalsContact O-N 3.12Å; K8-E10 VanDerWaalsContact CB-CD 3.45Å; K8-E10 HydrophobicContact CB-CG 3.54Å; K8-E10 WeakPolarHBondContact CB-OE1 3.2Å; K8-E10 HydrophobicContact CD-CG 4.2Å; K8-E10 WeakPolarHBondContact CD-OE1 3.11Å; K8-E10 PolarHBondContact O-N 3Å; K8-D11 PolarHBondContact N-OD2 2.98Å; K8-D11 WeakPolarHBondContact O-CB 3.3Å; K8-D11 PolarHBondContact O-N 3.43Å
9	P	66.5	Low	68.8	Low	88 Å²	88	88.7 Å²	88.7	57%	0.571	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-57.8	-33.1	178.5	19.3	-25.9	0	0	0	111.6	D11 L12	P9-D11 PolarHBondContact O-N 2.82Å; P9-L12 VanDerWaalsContact O-CB 3.24Å; P9-L12 WeakPolarHBondContact O-CB 3.47Å; P9-L12 PolarHBondContact O-N 3.42Å
10	E	65	Low	69.8	Low	99 Å²	99	86.5 Å²	86.5	46%	0.463	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-56.8	-28	171.5	41.1	-87.9	-161.3	0	0	114.6	K8 L12 E13 D14	K8-E10 VanDerWaalsContact CB-CD 3.45Å; K8-E10 HydrophobicContact CB-CG 3.54Å; K8-E10 WeakPolarHBondContact CB-OE1 3.2Å; K8-E10 HydrophobicContact CD-CG 4.2Å; K8-E10 WeakPolarHBondContact CD-OE1 3.11Å; K8-E10 PolarHBondContact O-N 3Å; E10-L12 PolarHBondContact O-N 3.28Å; E10-E13 PolarHBondContact O-N 3.24Å; E10-D14 PolarHBondContact O-N 3.29Å
11	D	70.7	Confident	70.8	Confident	47 Å²	47	83.2 Å²	83.2	25%	0.251	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-74.9	-9	176.6	-58.5	-39.3	0	0	0	113	R7 K8 P9 G17 L18	R7-D11 HydrophobicContact CG-CB 3.8Å; K8-D11 PolarHBondContact N-OD2 2.98Å; K8-D11 WeakPolarHBondContact O-CB 3.3Å; K8-D11 PolarHBondContact O-N 3.43Å; P9-D11 PolarHBondContact O-N 2.82Å; D11-G17 CarbonylContact O-C 3.55Å; D11-L18 PolarHBondContact O-N 3.38Å
12	L	71	Confident	73.2	Confident	77 Å²	77	76.8 Å²	76.8	40%	0.403	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-83.8	-17.3	176.1	-60.7	172	0	0	0	112.4	P9 E10	P9-L12 VanDerWaalsContact O-CB 3.24Å; P9-L12 WeakPolarHBondContact O-CB 3.47Å; P9-L12 PolarHBondContact O-N 3.42Å; E10-L12 PolarHBondContact O-N 3.28Å
13	E	80	Confident	75.7	Confident	147 Å²	147	72.6 Å²	72.6	69%	0.687	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-29.6	176.8	-71.2	141.5	-171	0	0	111.1	E10	E10-E13 PolarHBondContact O-N 3.24Å
14	D	90.3	Very high	77.9	Confident	43 Å²	43	75.5 Å²	75.5	23%	0.23	41%	0.406	C	S	.	.			trans	-80.7	126.6	177.8	-92.8	-23.5	0	0	0	113.2	E10 Y16 G17 L18 Y75 K79	E10-D14 PolarHBondContact O-N 3.29Å; D14-Y16 VanDerWaalsContact C-N 3.31Å; D14-Y16 PolarHBondContact O-N 2.92Å; D14-G17 PolarHBondContact O-N 2.95Å; D14-L18 WeakPolarHBondContact O-CB 3.23Å; D14-L18 WeakPolarHBondContact O-CG 3.4Å; D14-L18 PolarHBondContact O-N 2.78Å; D14-Y75 WeakPolarHBondContact CA-OH 3.37Å; D14-Y75 PolarHBondContact OD1-OH 2.93Å; D14-K79 IonicContact OD2-NZ 3.96Å
15	Y	92.6	Very high	79.9	Confident	19 Å²	19	68.9 Å²	68.9	8%	0.075	37%	0.374	C	S	.	.	H	α-helix	trans	-62.5	-34.9	177.3	-68	-25.9	0	0	0	113.8	L18 L19 A62 V65 Y75 F87	Y15-L18 HydrophobicContact CD1-CD1 4Å; Y15-L19 PolarHBondContact O-N 3.21Å; Y15-A62 HydrophobicContact CD1-CB 3.61Å; Y15-A62 HydrophobicContact CE1-CB 4.4Å; Y15-A62 HydrophobicContact CG-CB 3.8Å; Y15-V65 HydrophobicContact CD2-CB 4.06Å; Y15-V65 HydrophobicContact CD2-CG1 3.96Å; Y15-V65 HydrophobicContact CD2-CG2 4.42Å; Y15-V65 HydrophobicContact CE2-CB 3.99Å; Y15-V65 HydrophobicContact CE2-CG1 3.98Å; Y15-V65 HydrophobicContact CE2-CG2 3.84Å; Y15-Y75 HydrophobicContact CD2-CD1 4.5Å; Y15-Y75 AromaticContact CD2-CD2 3.44Å; Y15-Y75 HydrophobicContact CD2-CD2 3.44Å; Y15-Y75 VanDerWaalsContact CD2-CD2 3.44Å; Y15-Y75 HydrophobicContact CD2-CE1 4.32Å; Y15-Y75 AromaticContact CD2-CE2 3.18Å; Y15-Y75 HydrophobicContact CD2-CE2 3.18Å; Y15-Y75 HydrophobicContact CD2-CG 4.1Å; Y15-Y75 AromaticContact CD2-CZ 3.68Å; Y15-Y75 AromaticContact CE2-CD2 3.62Å; Y15-Y75 HydrophobicContact CE2-CD2 3.62Å; Y15-Y75 AromaticContact CE2-CE2 3.52Å; Y15-Y75 HydrophobicContact CE2-CE2 3.52Å; Y15-Y75 HydrophobicContact CG-CD2 4.48Å; Y15-Y75 AromaticContact CG-CE2 3.85Å; Y15-Y75 HydrophobicContact CG-CE2 3.85Å; Y15-Y75 AromaticContact CG-CZ 3.97Å; Y15-Y75 PolarHBondContact N-OH 3.38Å; Y15-F87 AromaticContact CE2-CD1 3.49Å; Y15-F87 HydrophobicContact CE2-CD1 3.49Å; Y15-F87 VanDerWaalsContact CE2-CD1 3.49Å; Y15-F87 AromaticContact CE2-CE1 3.82Å; Y15-F87 HydrophobicContact CE2-CE1 3.82Å; Y15-F87 HydrophobicContact CE2-CG 4.33Å; Y15-F87 AromaticContact CZ-CD1 3.93Å
16	Y	92.8	Very high	81.7	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.035	35%	0.351	C	S	.	.	H	α-helix	trans	-66.9	-43.7	175	-65.7	-74.4	0	0	0	111.2	D14 L19 G20 C21 E23 L66 R72 Y75 D76	D14-Y16 VanDerWaalsContact C-N 3.31Å; D14-Y16 PolarHBondContact O-N 2.92Å; Y16-L19 CarbonylContact O-C 3.46Å; Y16-L19 PolarHBondContact O-N 3.5Å; Y16-G20 VanDerWaalsContact O-CA 3.26Å; Y16-G20 WeakPolarHBondContact O-CA 3.44Å; Y16-G20 PolarHBondContact O-N 3Å; Y16-C21 PolarHBondContact O-N 2.78Å; Y16-C21 VanDerWaalsContact O-N 3.08Å; Y16-E23 HydrophobicContact CD1-CG 4.35Å; Y16-E23 HydrophobicContact CD2-CG 4.03Å; Y16-E23 HydrophobicContact CE1-CB 4.44Å; Y16-E23 HydrophobicContact CE1-CG 4.17Å; Y16-E23 HydrophobicContact CE2-CG 3.81Å; Y16-E23 HydrophobicContact CG-CG 4.29Å; Y16-L66 HydrophobicContact CD1-CD1 3.75Å; Y16-L66 HydrophobicContact CD1-CD2 4.22Å; Y16-L66 HydrophobicContact CE1-CD1 3.86Å; Y16-L66 HydrophobicContact CE1-CD2 3.61Å; Y16-L66 HydrophobicContact CE1-CG 4.37Å; Y16-L66 HydrophobicContact CE2-CD2 4.01Å; Y16-L66 HydrophobicContact CG-CD1 4.33Å; Y16-R72 WeakPolarHBondContact OH-CG 3.4Å; Y16-R72 PolarHBondContact OH-NE 3.36Å; Y16-R72 VanDerWaalsContact OH-NE 3.12Å; Y16-Y75 HydrophobicContact CD2-CD1 4.46Å; Y16-Y75 AromaticContact CD2-CE1 3.85Å; Y16-Y75 HydrophobicContact CD2-CE1 3.85Å; Y16-Y75 AromaticContact CE2-CD1 3.84Å; Y16-Y75 HydrophobicContact CE2-CD1 3.84Å; Y16-Y75 AromaticContact CE2-CE1 3.67Å; Y16-Y75 HydrophobicContact CE2-CE1 3.67Å; Y16-D76 PolarHBondContact OH-OD1 3.07Å
17	G	90.1	Very high	83.7	Confident	19 Å²	19	63.8 Å²	63.8	20%	0.196	34%	0.341	C	S	.	.	H	α-helix	trans	-66.7	-39.8	175.5	0	0	0	0	0	113.1	R7 D11 D14 L19 G20 R37	R7-G17 PolarHBondContact NH1-O 2.77Å; R7-G17 VanDerWaalsContact NH1-O 3.1Å; D11-G17 CarbonylContact O-C 3.55Å; D14-G17 PolarHBondContact O-N 2.95Å; G17-L19 VanDerWaalsContact C-N 3.25Å; G17-L19 PolarHBondContact O-N 2.81Å; G17-G20 PolarHBondContact O-N 2.88Å; G17-G20 VanDerWaalsContact O-N 3.09Å; G17-R37 PolarHBondContact O-NH1 3.41Å
18	L	90.1	Very high	85.3	Confident	13 Å²	13	65.6 Å²	65.6	7%	0.068	36%	0.355	C	S	.	.	H	α-helix	trans	-59.4	-33.9	175.2	-80.7	171.1	0	0	0	113	D11 D14 Y15 R37 K58 L59	D11-L18 PolarHBondContact O-N 3.38Å; D14-L18 WeakPolarHBondContact O-CB 3.23Å; D14-L18 WeakPolarHBondContact O-CG 3.4Å; D14-L18 PolarHBondContact O-N 2.78Å; Y15-L18 HydrophobicContact CD1-CD1 4Å; L18-R37 WeakPolarHBondContact O-CD 3.41Å; L18-R37 PolarHBondContact O-NH1 2.97Å; L18-K58 HydrophobicContact CD1-CB 4.15Å; L18-L59 WeakPolarHBondContact O-CD2 3.47Å
19	L	90.1	Very high	86.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-96.5	-14.3	173.7	-70	167.1	0	0	0	113.5	Y15 Y16 G17 C21 I30 Y34 R37 L59 A62 L66	Y15-L19 PolarHBondContact O-N 3.21Å; Y16-L19 CarbonylContact O-C 3.46Å; Y16-L19 PolarHBondContact O-N 3.5Å; G17-L19 VanDerWaalsContact C-N 3.25Å; G17-L19 PolarHBondContact O-N 2.81Å; L19-C21 PolarHBondContact O-N 3.39Å; L19-I30 HydrophobicContact CD1-CG2 4.09Å; L19-Y34 HydrophobicContact CD2-CD2 4.26Å; L19-R37 PolarHBondContact O-NE 3.35Å; L19-R37 PolarHBondContact O-NH1 3.46Å; L19-R37 PolarHBondContact O-NH2 2.87Å; L19-L59 HydrophobicContact CD2-CD2 3.97Å; L19-A62 HydrophobicContact CD1-CB 3.75Å; L19-A62 HydrophobicContact CG-CB 4.06Å; L19-L66 HydrophobicContact CD1-CD1 3.79Å
20	G	88.5	Confident	88	Confident	45 Å²	45	60.6 Å²	60.6	46%	0.464	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	32.4	-174.5	0	0	0	0	0	112.7	Y16 G17 R37	Y16-G20 VanDerWaalsContact O-CA 3.26Å; Y16-G20 WeakPolarHBondContact O-CA 3.44Å; Y16-G20 PolarHBondContact O-N 3Å; G17-G20 PolarHBondContact O-N 2.88Å; G17-G20 VanDerWaalsContact O-N 3.09Å; G20-R37 VanDerWaalsContact N-CZ 3.27Å
21	C	90.9	Very high	89.4	Confident	17 Å²	17	57.7 Å²	57.7	12%	0.115	31%	0.314	C	S	.	.			trans	-100.8	166	170.4	59.6	0	0	0	0	109.2	Y16 L19 I30	Y16-C21 PolarHBondContact O-N 2.78Å; Y16-C21 VanDerWaalsContact O-N 3.08Å; L19-C21 PolarHBondContact O-N 3.39Å; C21-I30 HydrophobicContact CB-CG1 4.37Å
22	D	90.4	Very high	90.5	Very high	94 Å²	94	59.5 Å²	59.5	50%	0.503	32%	0.324	S	S	.	.			trans	-100.6	164.5	176.8	-166.8	15.3	0	0	0	110.5	L24 S25	D22-L24 PolarHBondContact O-N 3.19Å; D22-L24 VanDerWaalsContact O-N 3.09Å; D22-S25 PolarHBondContact N-OG 3.35Å; D22-S25 VanDerWaalsContact O-CB 3.31Å; D22-S25 WeakPolarHBondContact O-CB 3.38Å; D22-S25 PolarHBondContact O-N 3.39Å; D22-S25 PolarHBondContact O-OG 3.26Å
23	E	89.5	Confident	91.6	Very high	94 Å²	94	59 Å²	59	44%	0.439	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.3	172.8	-62.7	-177.5	-177.9	0	0	112.1	Y16 R72 K79	Y16-E23 HydrophobicContact CD1-CG 4.35Å; Y16-E23 HydrophobicContact CD2-CG 4.03Å; Y16-E23 HydrophobicContact CE1-CB 4.44Å; Y16-E23 HydrophobicContact CE1-CG 4.17Å; Y16-E23 HydrophobicContact CE2-CG 3.81Å; Y16-E23 HydrophobicContact CG-CG 4.29Å; E23-R72 VanDerWaalsContact C-NH2 3.26Å; E23-R72 PolarHBondContact O-NH2 3.06Å; E23-K79 IonicContact OE1-NZ 2.78Å; E23-K79 PolarHBondContact OE1-NZ 3.08Å
24	L	90.9	Very high	92.3	Very high	157 Å²	157	53.8 Å²	53.8	82%	0.822	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-5.8	174.9	-57.1	-179.9	0	0	0	113.8	D22	D22-L24 PolarHBondContact O-N 3.19Å; D22-L24 VanDerWaalsContact O-N 3.09Å
25	S	92.9	Very high	92.4	Very high	20 Å²	20	57.4 Å²	57.4	14%	0.14	31%	0.307	C	S	.	.			trans	-66.9	141.1	-177.9	-64.1	0	0	0	0	112.2	D22 R72	D22-S25 PolarHBondContact N-OG 3.35Å; D22-S25 VanDerWaalsContact O-CB 3.31Å; D22-S25 WeakPolarHBondContact O-CB 3.38Å; D22-S25 PolarHBondContact O-N 3.39Å; D22-S25 PolarHBondContact O-OG 3.26Å; S25-R72 PolarHBondContact O-NH1 3.11Å; S25-R72 VanDerWaalsContact O-NH1 3.08Å; S25-R72 PolarHBondContact O-NH2 3.17Å
26	S	95	Very high	92.4	Very high	51 Å²	51	60.9 Å²	60.9	36%	0.357	33%	0.327	S	S	.	.			trans	-73.6	159.4	175.6	75.5	0	0	0	0	111.5	E28 Q29 I30	S26-E28 VanDerWaalsContact C-N 3.26Å; S26-E28 PolarHBondContact O-N 2.82Å; S26-Q29 PolarHBondContact O-N 2.61Å; S26-Q29 WeakPolarHBondContact OG-CG 3.44Å; S26-Q29 PolarHBondContact OG-N 3.37Å; S26-I30 WeakPolarHBondContact O-CD1 3.44Å; S26-I30 VanDerWaalsContact O-CG1 3.29Å; S26-I30 WeakPolarHBondContact O-CG1 2.99Å; S26-I30 PolarHBondContact O-N 3.17Å
27	T	94.6	Very high	92.2	Very high	57 Å²	57	63.1 Å²	63.1	35%	0.35	34%	0.335	S	S	.	.	H	α-helix	trans	-59.4	-37.5	177.6	50.9	0	0	0	0	112.1	I30 V31	T27-I30 PolarHBondContact O-N 3.37Å; T27-V31 WeakPolarHBondContact O-CG2 3.27Å; T27-V31 PolarHBondContact O-N 3.02Å
28	E	94.1	Very high	92.3	Very high	160 Å²	160	62.7 Å²	62.7	75%	0.748	33%	0.33	S	S	*	.	H	α-helix	trans	-63.3	-43.9	176.2	-62.8	-177.4	177.4	0	0	112.1	S26 V31 N32	S26-E28 VanDerWaalsContact C-N 3.26Å; S26-E28 PolarHBondContact O-N 2.82Å; E28-V31 PolarHBondContact O-N 3.43Å; E28-N32 PolarHBondContact O-N 3.4Å
29	Q	94.1	Very high	92.2	Very high	105 Å²	105	67.9 Å²	67.9	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-45.9	176.2	-73.8	175.5	-26.2	0	0	111.1	S26 V31 N32 E33	S26-Q29 PolarHBondContact O-N 2.61Å; S26-Q29 WeakPolarHBondContact OG-CG 3.44Å; S26-Q29 PolarHBondContact OG-N 3.37Å; Q29-V31 VanDerWaalsContact C-N 3.28Å; Q29-V31 PolarHBondContact O-N 3.13Å; Q29-N32 WeakPolarHBondContact O-CB 3.28Å; Q29-N32 PolarHBondContact O-N 2.95Å; Q29-E33 WeakPolarHBondContact O-CG 3.37Å; Q29-E33 PolarHBondContact O-N 3.07Å
30	I	94.6	Very high	92	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-55.9	-44.6	177.3	-70.8	160.9	0	0	0	111	L19 C21 S26 T27 N32 Y34 L66	L19-I30 HydrophobicContact CD1-CG2 4.09Å; C21-I30 HydrophobicContact CB-CG1 4.37Å; S26-I30 WeakPolarHBondContact O-CD1 3.44Å; S26-I30 VanDerWaalsContact O-CG1 3.29Å; S26-I30 WeakPolarHBondContact O-CG1 2.99Å; S26-I30 PolarHBondContact O-N 3.17Å; T27-I30 PolarHBondContact O-N 3.37Å; I30-N32 VanDerWaalsContact C-N 3.34Å; I30-Y34 WeakPolarHBondContact O-CB 3.45Å; I30-Y34 PolarHBondContact O-N 3.25Å; I30-L66 HydrophobicContact CD1-CB 4.09Å; I30-L66 HydrophobicContact CG2-CB 4.07Å
31	V	94.5	Very high	91.8	Very high	38 Å²	38	70.6 Å²	70.6	23%	0.23	37%	0.372	C	S	.	.	H	α-helix	trans	-66.6	-37.2	177.7	171.3	0	0	0	0	111.6	T27 E28 Q29 K35	T27-V31 WeakPolarHBondContact O-CG2 3.27Å; T27-V31 PolarHBondContact O-N 3.02Å; E28-V31 PolarHBondContact O-N 3.43Å; Q29-V31 VanDerWaalsContact C-N 3.28Å; Q29-V31 PolarHBondContact O-N 3.13Å; V31-K35 WeakPolarHBondContact O-CG 3.37Å; V31-K35 PolarHBondContact O-N 3.33Å; V31-K35 VanDerWaalsContact O-N 3.14Å
32	N	94.4	Very high	91.4	Very high	85 Å²	85	73.3 Å²	73.3	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-66.9	-47.7	177.5	-168.3	53.5	0	0	0	112	E28 Q29 I30 Y34 K35 I36	E28-N32 PolarHBondContact O-N 3.4Å; Q29-N32 WeakPolarHBondContact O-CB 3.28Å; Q29-N32 PolarHBondContact O-N 2.95Å; I30-N32 VanDerWaalsContact C-N 3.34Å; N32-Y34 VanDerWaalsContact C-N 3.31Å; N32-Y34 PolarHBondContact O-N 3Å; N32-K35 WeakPolarHBondContact O-CB 3.48Å; N32-K35 PolarHBondContact O-N 3.4Å; N32-K35 VanDerWaalsContact O-N 3.11Å; N32-I36 WeakPolarHBondContact O-CG1 3.4Å; N32-I36 PolarHBondContact O-N 3.12Å
33	E	93.6	Very high	91.2	Very high	67 Å²	67	71 Å²	71	31%	0.313	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-41.5	176.8	-68.2	-54.5	145.7	0	0	111.8	Q29 K35 I36 R37	Q29-E33 WeakPolarHBondContact O-CG 3.37Å; Q29-E33 PolarHBondContact O-N 3.07Å; E33-K35 VanDerWaalsContact C-N 3.32Å; E33-K35 PolarHBondContact O-N 3.37Å; E33-I36 PolarHBondContact O-N 3.4Å; E33-R37 PolarHBondContact O-N 2.78Å
34	Y	94.3	Very high	91	Very high	36 Å²	36	71.6 Å²	71.6	14%	0.141	38%	0.379	C	S	.	.	H	α-helix	trans	-55.5	-46.5	172.9	165.5	-95.5	0	0	0	111.7	L19 I30 N32 I36 R37 A38 L59 Q60 K63	L19-Y34 HydrophobicContact CD2-CD2 4.26Å; I30-Y34 WeakPolarHBondContact O-CB 3.45Å; I30-Y34 PolarHBondContact O-N 3.25Å; N32-Y34 VanDerWaalsContact C-N 3.31Å; N32-Y34 PolarHBondContact O-N 3Å; Y34-I36 VanDerWaalsContact C-N 3.34Å; Y34-I36 PolarHBondContact O-N 3.42Å; Y34-R37 PolarHBondContact O-N 2.83Å; Y34-A38 HydrophobicContact CE1-CB 4.21Å; Y34-A38 HydrophobicContact CE2-CB 4.2Å; Y34-A38 WeakPolarHBondContact O-CB 3.22Å; Y34-A38 PolarHBondContact O-N 3.06Å; Y34-L59 HydrophobicContact CD2-CB 4.4Å; Y34-L59 HydrophobicContact CE2-CB 4.33Å; Y34-Q60 PolarHBondContact OH-OE1 2.84Å; Y34-K63 HydrophobicContact CD1-CG 4.2Å; Y34-K63 HydrophobicContact CD2-CB 3.67Å; Y34-K63 HydrophobicContact CD2-CG 4.11Å; Y34-K63 HydrophobicContact CE2-CB 4.28Å; Y34-K63 HydrophobicContact CG-CB 3.9Å; Y34-K63 HydrophobicContact CG-CG 3.83Å
35	K	93.2	Very high	90.7	Very high	119 Å²	119	71.8 Å²	71.8	52%	0.517	37%	0.373	S	S	.	.	H	α-helix	trans	-60.6	-43.6	-180	-72.8	169.9	-177.9	177	0	111.8	V31 N32 E33 L39	V31-K35 WeakPolarHBondContact O-CG 3.37Å; V31-K35 PolarHBondContact O-N 3.33Å; V31-K35 VanDerWaalsContact O-N 3.14Å; N32-K35 WeakPolarHBondContact O-CB 3.48Å; N32-K35 PolarHBondContact O-N 3.4Å; N32-K35 VanDerWaalsContact O-N 3.11Å; E33-K35 VanDerWaalsContact C-N 3.32Å; E33-K35 PolarHBondContact O-N 3.37Å; K35-L39 VanDerWaalsContact O-CG 3.28Å; K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 2.89Å; K35-L39 VanDerWaalsContact O-N 3.12Å
36	I	91.8	Very high	90.1	Very high	93 Å²	93	74.3 Å²	74.3	48%	0.477	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-46.2	179.8	-63.6	168.5	0	0	0	110	N32 E33 Y34 A40	N32-I36 WeakPolarHBondContact O-CG1 3.4Å; N32-I36 PolarHBondContact O-N 3.12Å; E33-I36 PolarHBondContact O-N 3.4Å; Y34-I36 VanDerWaalsContact C-N 3.34Å; Y34-I36 PolarHBondContact O-N 3.42Å; I36-A40 PolarHBondContact O-N 3.29Å
37	R	89.6	Confident	89.2	Confident	56 Å²	56	78.9 Å²	78.9	21%	0.211	40%	0.398	C	S	.	.	H	α-helix	trans	-71.6	-40	-179.8	-67.8	-170.8	-178.9	-157.5	-3.8	113.3	G17 L18 L19 G20 E33 Y34 L39 A40 C41 L59	G17-R37 PolarHBondContact O-NH1 3.41Å; L18-R37 WeakPolarHBondContact O-CD 3.41Å; L18-R37 PolarHBondContact O-NH1 2.97Å; L19-R37 PolarHBondContact O-NE 3.35Å; L19-R37 PolarHBondContact O-NH1 3.46Å; L19-R37 PolarHBondContact O-NH2 2.87Å; G20-R37 VanDerWaalsContact N-CZ 3.27Å; E33-R37 PolarHBondContact O-N 2.78Å; Y34-R37 PolarHBondContact O-N 2.83Å; R37-L39 VanDerWaalsContact C-N 3.26Å; R37-L39 PolarHBondContact O-N 2.81Å; R37-A40 WeakPolarHBondContact O-CB 3.35Å; R37-A40 PolarHBondContact O-N 3.33Å; R37-C41 PolarHBondContact O-N 3.2Å; R37-L59 HydrophobicContact CB-CD1 4Å; R37-L59 HydrophobicContact CB-CD2 4.07Å
38	A	90.3	Very high	88.5	Confident	10 Å²	10	83.6 Å²	83.6	8%	0.083	42%	0.421	C	S	.	.	H	α-helix	trans	-58.3	-40	175.9	0	0	0	0	0	111.6	Y34 H42 F56	Y34-A38 HydrophobicContact CE1-CB 4.21Å; Y34-A38 HydrophobicContact CE2-CB 4.2Å; Y34-A38 WeakPolarHBondContact O-CB 3.22Å; Y34-A38 PolarHBondContact O-N 3.06Å; A38-H42 WeakPolarHBondContact O-CA 3.34Å; A38-H42 WeakPolarHBondContact O-CB 3.45Å; A38-H42 PolarHBondContact O-N 3.2Å; A38-F56 HydrophobicContact CB-CE2 3.86Å
39	L	88.6	Confident	87.7	Confident	122 Å²	122	80.1 Å²	80.1	64%	0.639	41%	0.408	S	S	*	.	H	α-helix	trans	-68.9	-34.1	175.1	-70.6	171.5	0	0	0	112.8	K35 R37	K35-L39 VanDerWaalsContact O-CG 3.28Å; K35-L39 WeakPolarHBondContact O-CG 3.46Å; K35-L39 PolarHBondContact O-N 2.89Å; K35-L39 VanDerWaalsContact O-N 3.12Å; R37-L39 VanDerWaalsContact C-N 3.26Å; R37-L39 PolarHBondContact O-N 2.81Å
40	A	85.4	Confident	87.1	Confident	60 Å²	60	80.4 Å²	80.4	50%	0.496	42%	0.419	S	S	.	.	H	α-helix	trans	-70.8	-38.9	177.2	0	0	0	0	0	112.3	I36 R37 H46	I36-A40 PolarHBondContact O-N 3.29Å; R37-A40 WeakPolarHBondContact O-CB 3.35Å; R37-A40 PolarHBondContact O-N 3.33Å; A40-H46 PolarHBondContact O-CD2 3.14Å; A40-H46 PolarHBondContact O-NE2 3.03Å
41	C	84.2	Confident	86.5	Confident	41 Å²	41	84.3 Å²	84.3	28%	0.277	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	17.2	-177.8	-63.8	0	0	0	0	113.4	R37 L59	R37-C41 PolarHBondContact O-N 3.2Å; C41-L59 HydrophobicContact CB-CD1 4.2Å
42	H	83.6	Confident	85.9	Confident	75 Å²	75	82.9 Å²	82.9	35%	0.347	44%	0.435	S	S	.	.			trans	-64	128.2	-174.2	-166.3	-85	0	0	0	111	A38 D44 K45 H46	A38-H42 WeakPolarHBondContact O-CA 3.34Å; A38-H42 WeakPolarHBondContact O-CB 3.45Å; A38-H42 PolarHBondContact O-N 3.2Å; H42-D44 VanDerWaalsContact CE1-CB 3.41Å; H42-D44 WeakPolarHBondContact CE1-CB 3.49Å; H42-D44 WeakPolarHBondContact ND1-CB 3.49Å; H42-D44 PolarHBondContact ND1-N 2.97Å; H42-D44 PolarHBondContact O-N 3.35Å; H42-D44 VanDerWaalsContact O-N 3.16Å; H42-K45 PolarHBondContact O-N 3.08Å; H42-H46 PolarHBondContact O-CD2 2.92Å; H42-H46 PolarHBondContact O-N 2.84Å
43	P	86.1	Confident	85.5	Confident	46 Å²	46	82.2 Å²	82.2	30%	0.299	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-62.2	-29.1	-173	24.1	-34.6	0	0	0	113	K45 H46 Q47 V53	P43-K45 VanDerWaalsContact C-N 3.26Å; P43-K45 PolarHBondContact O-N 3.13Å; P43-H46 CarbonylContact O-C 3.32Å; P43-H46 VanDerWaalsContact O-C 3.32Å; P43-H46 PolarHBondContact O-N 3.25Å; P43-H46 VanDerWaalsContact O-N 3.14Å; P43-Q47 PolarHBondContact O-N 3.11Å; P43-V53 HydrophobicContact CB-CG2 4.14Å
44	D	86.2	Confident	85.2	Confident	105 Å²	105	81 Å²	81	56%	0.561	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-61.3	-30.7	175.9	-171.4	50.4	0	0	0	113.7	H42 Q47	H42-D44 VanDerWaalsContact CE1-CB 3.41Å; H42-D44 WeakPolarHBondContact CE1-CB 3.49Å; H42-D44 WeakPolarHBondContact ND1-CB 3.49Å; H42-D44 PolarHBondContact ND1-N 2.97Å; H42-D44 PolarHBondContact O-N 3.35Å; H42-D44 VanDerWaalsContact O-N 3.16Å; D44-Q47 WeakPolarHBondContact O-CG 3.37Å; D44-Q47 PolarHBondContact O-NE2 3.5Å; D44-Q47 PolarHBondContact OD1-NE2 3.06Å
45	K	82.9	Confident	84.8	Confident	162 Å²	162	82.3 Å²	82.3	70%	0.704	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-87.8	-15.8	177.8	-67.4	-170.6	174.1	-167.1	0	113	H42 P43	H42-K45 PolarHBondContact O-N 3.08Å; P43-K45 VanDerWaalsContact C-N 3.26Å; P43-K45 PolarHBondContact O-N 3.13Å
46	H	81	Confident	84.7	Confident	73 Å²	73	79.1 Å²	79.1	34%	0.338	43%	0.431	S	S	.	.			trans	-129.1	47.2	-172	-61.6	-74	0	0	0	111.1	A40 H42 P43 D48 N49 A52	A40-H46 PolarHBondContact O-CD2 3.14Å; A40-H46 PolarHBondContact O-NE2 3.03Å; H42-H46 PolarHBondContact O-CD2 2.92Å; H42-H46 PolarHBondContact O-N 2.84Å; P43-H46 CarbonylContact O-C 3.32Å; P43-H46 VanDerWaalsContact O-C 3.32Å; P43-H46 PolarHBondContact O-N 3.25Å; P43-H46 VanDerWaalsContact O-N 3.14Å; H46-D48 PolarHBondContact O-N 3.35Å; H46-N49 PolarHBondContact O-N 3.42Å; H46-N49 VanDerWaalsContact O-N 3.13Å; H46-A52 HydrophobicContact CB-CB 3.81Å
47	Q	76.4	Confident	84.6	Confident	147 Å²	147	80.1 Å²	80.1	69%	0.687	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.7	-173.6	-59.6	-179.9	17	0	0	113	P43 D44 N49	P43-Q47 PolarHBondContact O-N 3.11Å; D44-Q47 WeakPolarHBondContact O-CG 3.37Å; D44-Q47 PolarHBondContact O-NE2 3.5Å; D44-Q47 PolarHBondContact OD1-NE2 3.06Å; Q47-N49 VanDerWaalsContact C-N 3.34Å
48	D	79.5	Confident	84.6	Confident	156 Å²	156	81.6 Å²	81.6	83%	0.834	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.9	-179	-57	-41.6	0	0	0	113.5	H46 P50	H46-D48 PolarHBondContact O-N 3.35Å; D48-P50 WeakPolarHBondContact O-CD 3.19Å
49	N	78.1	Confident	84.7	Confident	87 Å²	87	81.5 Å²	81.5	47%	0.465	44%	0.44	S	S	.	.			trans	-109.1	103.6	-175.9	-74.4	-42.8	0	0	0	110.9	H46 Q47 T51 A52	H46-N49 PolarHBondContact O-N 3.42Å; H46-N49 VanDerWaalsContact O-N 3.13Å; Q47-N49 VanDerWaalsContact C-N 3.34Å; N49-T51 PolarHBondContact O-N 3.39Å; N49-T51 VanDerWaalsContact O-N 3.14Å; N49-A52 HydrophobicContact CB-CB 4.35Å; N49-A52 WeakPolarHBondContact O-CB 3.43Å; N49-A52 PolarHBondContact O-N 3.33Å; N49-A52 VanDerWaalsContact O-N 3.08Å
50	P	80.1	Confident	84.9	Confident	110 Å²	110	79.4 Å²	79.4	71%	0.714	43%	0.427	S	S	*	.	H	α-helix	trans	-64.4	-20.7	177.7	26.9	-34.6	0	0	0	112.6	D48 A52	D48-P50 WeakPolarHBondContact O-CD 3.19Å; P50-A52 VanDerWaalsContact C-N 3.31Å; P50-A52 PolarHBondContact O-N 3.33Å
51	T	82.1	Confident	85.3	Confident	83 Å²	83	79.3 Å²	79.3	51%	0.509	42%	0.416	S	S	.	.	H	α-helix	trans	-67.8	-28.8	175.6	54	0	0	0	0	112.7	N49 V53 A54 D55	N49-T51 PolarHBondContact O-N 3.39Å; N49-T51 VanDerWaalsContact O-N 3.14Å; T51-V53 VanDerWaalsContact C-N 3.26Å; T51-V53 PolarHBondContact O-N 2.91Å; T51-A54 PolarHBondContact O-N 2.97Å; T51-A54 VanDerWaalsContact O-N 3.13Å; T51-D55 PolarHBondContact O-N 3.06Å
52	A	81.8	Confident	85.8	Confident	8 Å²	8	77.4 Å²	77.4	7%	0.066	40%	0.403	C	S	.	.	H	α-helix	trans	-61.8	-35.5	-179.2	0	0	0	0	0	112.1	H46 N49 P50 F56	H46-A52 HydrophobicContact CB-CB 3.81Å; N49-A52 HydrophobicContact CB-CB 4.35Å; N49-A52 WeakPolarHBondContact O-CB 3.43Å; N49-A52 PolarHBondContact O-N 3.33Å; N49-A52 VanDerWaalsContact O-N 3.08Å; P50-A52 VanDerWaalsContact C-N 3.31Å; P50-A52 PolarHBondContact O-N 3.33Å; A52-F56 VanDerWaalsContact O-CB 3.26Å; A52-F56 WeakPolarHBondContact O-CB 3.45Å; A52-F56 PolarHBondContact O-N 2.92Å
53	V	87.1	Confident	86.3	Confident	71 Å²	71	76.6 Å²	76.6	43%	0.43	40%	0.398	S	S	.	.	H	α-helix	trans	-66.3	-45.3	175.9	178.9	0	0	0	0	110.9	P43 T51 F56 Q57	P43-V53 HydrophobicContact CB-CG2 4.14Å; T51-V53 VanDerWaalsContact C-N 3.26Å; T51-V53 PolarHBondContact O-N 2.91Å; V53-F56 PolarHBondContact O-N 3.23Å; V53-Q57 WeakPolarHBondContact O-CG 3.45Å; V53-Q57 PolarHBondContact O-N 3.21Å
54	A	87	Confident	86.7	Confident	42 Å²	42	78.4 Å²	78.4	35%	0.347	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-42.6	179.1	0	0	0	0	0	111.6	T51 Q57 K58	T51-A54 PolarHBondContact O-N 2.97Å; T51-A54 VanDerWaalsContact O-N 3.13Å; A54-Q57 PolarHBondContact O-N 3.12Å; A54-K58 WeakPolarHBondContact O-CG 3.37Å; A54-K58 PolarHBondContact O-N 3.09Å
55	D	86.1	Confident	87.2	Confident	63 Å²	63	73.7 Å²	73.7	34%	0.337	38%	0.378	S	S	.	.	H	α-helix	trans	-66.7	-38.6	178.2	-66.6	-22.8	0	0	0	111.7	T51 K58 L59	T51-D55 PolarHBondContact O-N 3.06Å; D55-K58 PolarHBondContact O-N 2.64Å; D55-L59 WeakPolarHBondContact O-CG 3.24Å; D55-L59 PolarHBondContact O-N 2.95Å
56	F	90.1	Very high	87.7	Confident	52 Å²	52	66 Å²	66	23%	0.228	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-41.5	174.3	-174.2	-93.6	0	0	0	112.2	A38 A52 V53 L59 Q60	A38-F56 HydrophobicContact CB-CE2 3.86Å; A52-F56 VanDerWaalsContact O-CB 3.26Å; A52-F56 WeakPolarHBondContact O-CB 3.45Å; A52-F56 PolarHBondContact O-N 2.92Å; V53-F56 PolarHBondContact O-N 3.23Å; F56-L59 PolarHBondContact O-N 3.37Å; F56-Q60 WeakPolarHBondContact O-CB 3.4Å; F56-Q60 PolarHBondContact O-N 3.14Å
57	Q	90.4	Very high	88.4	Confident	114 Å²	114	64.8 Å²	64.8	53%	0.533	34%	0.344	S	S	.	.	H	α-helix	trans	-61	-46.1	174.6	-74.1	174.2	4.1	0	0	111.3	V53 A54 L59 Q60 E61	V53-Q57 WeakPolarHBondContact O-CG 3.45Å; V53-Q57 PolarHBondContact O-N 3.21Å; A54-Q57 PolarHBondContact O-N 3.12Å; Q57-L59 VanDerWaalsContact C-N 3.35Å; Q57-L59 PolarHBondContact O-N 3.05Å; Q57-Q60 WeakPolarHBondContact O-CB 3.33Å; Q57-Q60 PolarHBondContact O-N 2.85Å; Q57-Q60 VanDerWaalsContact O-N 3.16Å; Q57-E61 WeakPolarHBondContact O-CG 3.48Å; Q57-E61 PolarHBondContact O-N 3.33Å
58	K	90.6	Very high	89.2	Confident	86 Å²	86	61 Å²	61	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-59.8	-42.6	175.7	-70.2	176	-179.7	-177.6	0	112.6	L18 A54 D55 Q60 E61 A62	L18-K58 HydrophobicContact CD1-CB 4.15Å; A54-K58 WeakPolarHBondContact O-CG 3.37Å; A54-K58 PolarHBondContact O-N 3.09Å; D55-K58 PolarHBondContact O-N 2.64Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 3Å; K58-E61 PolarHBondContact O-N 3.32Å; K58-A62 WeakPolarHBondContact O-CB 3.49Å; K58-A62 PolarHBondContact O-N 3.28Å
59	L	92.1	Very high	89.9	Confident	9 Å²	9	59.9 Å²	59.9	5%	0.047	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-41.8	175.3	-77.1	171.3	0	0	0	111.9	L18 L19 Y34 R37 C41 D55 F56 Q57 K63	L18-L59 WeakPolarHBondContact O-CD2 3.47Å; L19-L59 HydrophobicContact CD2-CD2 3.97Å; Y34-L59 HydrophobicContact CD2-CB 4.4Å; Y34-L59 HydrophobicContact CE2-CB 4.33Å; R37-L59 HydrophobicContact CB-CD1 4Å; R37-L59 HydrophobicContact CB-CD2 4.07Å; C41-L59 HydrophobicContact CB-CD1 4.2Å; D55-L59 WeakPolarHBondContact O-CG 3.24Å; D55-L59 PolarHBondContact O-N 2.95Å; F56-L59 PolarHBondContact O-N 3.37Å; Q57-L59 VanDerWaalsContact C-N 3.35Å; Q57-L59 PolarHBondContact O-N 3.05Å; L59-K63 PolarHBondContact O-N 3.15Å; L59-K63 VanDerWaalsContact O-N 3.07Å
60	Q	93.3	Very high	90.6	Very high	78 Å²	78	58.4 Å²	58.4	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-63.8	-46.6	177.6	-178.6	65	21.7	0	0	111.7	Y34 F56 Q57 K58 K63 E64	Y34-Q60 PolarHBondContact OH-OE1 2.84Å; F56-Q60 WeakPolarHBondContact O-CB 3.4Å; F56-Q60 PolarHBondContact O-N 3.14Å; Q57-Q60 WeakPolarHBondContact O-CB 3.33Å; Q57-Q60 PolarHBondContact O-N 2.85Å; Q57-Q60 VanDerWaalsContact O-N 3.16Å; K58-Q60 VanDerWaalsContact C-N 3.31Å; K58-Q60 PolarHBondContact O-N 3Å; Q60-K63 PolarHBondContact O-N 2.83Å; Q60-E64 PolarHBondContact O-N 2.89Å
61	E	93.4	Very high	91.3	Very high	58 Å²	58	55.8 Å²	55.8	27%	0.271	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-47.1	177.3	-71.7	-178.5	172.9	0	0	111.5	Q57 K58 K63 E64 V65 Q88	Q57-E61 WeakPolarHBondContact O-CG 3.48Å; Q57-E61 PolarHBondContact O-N 3.33Å; K58-E61 PolarHBondContact O-N 3.32Å; E61-K63 VanDerWaalsContact C-N 3.29Å; E61-K63 PolarHBondContact O-N 3.2Å; E61-E64 PolarHBondContact O-N 3.14Å; E61-V65 WeakPolarHBondContact O-CG2 3.38Å; E61-V65 PolarHBondContact O-N 3.1Å; E61-Q88 PolarHBondContact OE1-NE2 3.12Å
62	A	93.9	Very high	91.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-55.2	-46.3	176.5	0	0	0	0	0	111.2	Y15 L19 K58 E64 V65 L66	Y15-A62 HydrophobicContact CD1-CB 3.61Å; Y15-A62 HydrophobicContact CE1-CB 4.4Å; Y15-A62 HydrophobicContact CG-CB 3.8Å; L19-A62 HydrophobicContact CD1-CB 3.75Å; L19-A62 HydrophobicContact CG-CB 4.06Å; K58-A62 WeakPolarHBondContact O-CB 3.49Å; K58-A62 PolarHBondContact O-N 3.28Å; A62-E64 PolarHBondContact O-N 2.71Å; A62-V65 PolarHBondContact O-N 3.09Å; A62-L66 WeakPolarHBondContact O-CB 3.44Å; A62-L66 VanDerWaalsContact O-CG 3.3Å; A62-L66 WeakPolarHBondContact O-CG 3.41Å; A62-L66 PolarHBondContact O-N 3.02Å
63	K	95.1	Very high	92.5	Very high	58 Å²	58	59 Å²	59	25%	0.252	30%	0.299	S	S	.	.	H	α-helix	trans	-62.6	-41	176.7	179.3	-94	165.9	-177.1	0	112	Y34 L59 Q60 E61 C67	Y34-K63 HydrophobicContact CD1-CG 4.2Å; Y34-K63 HydrophobicContact CD2-CB 3.67Å; Y34-K63 HydrophobicContact CD2-CG 4.11Å; Y34-K63 HydrophobicContact CE2-CB 4.28Å; Y34-K63 HydrophobicContact CG-CB 3.9Å; Y34-K63 HydrophobicContact CG-CG 3.83Å; L59-K63 PolarHBondContact O-N 3.15Å; L59-K63 VanDerWaalsContact O-N 3.07Å; Q60-K63 PolarHBondContact O-N 2.83Å; E61-K63 VanDerWaalsContact C-N 3.29Å; E61-K63 PolarHBondContact O-N 3.2Å; K63-C67 WeakPolarHBondContact O-CB 3.26Å; K63-C67 PolarHBondContact O-N 2.71Å; K63-C67 VanDerWaalsContact O-N 3.08Å
64	E	94.7	Very high	92.8	Very high	84 Å²	84	58.2 Å²	58.2	39%	0.393	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-41.3	179.6	-165.8	-165.5	138.5	0	0	111.9	Q60 E61 A62 K71	Q60-E64 PolarHBondContact O-N 2.89Å; E61-E64 PolarHBondContact O-N 3.14Å; A62-E64 PolarHBondContact O-N 2.71Å; E64-K71 IonicContact OE1-NZ 3.33Å; E64-K71 PolarHBondContact OE1-NZ 3.02Å
65	V	94.8	Very high	93.2	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-72.5	-45.1	-178.3	174.6	0	0	0	0	111.4	Y15 E61 A62 D68 K71 R72 Y75 F87	Y15-V65 HydrophobicContact CD2-CB 4.06Å; Y15-V65 HydrophobicContact CD2-CG1 3.96Å; Y15-V65 HydrophobicContact CD2-CG2 4.42Å; Y15-V65 HydrophobicContact CE2-CB 3.99Å; Y15-V65 HydrophobicContact CE2-CG1 3.98Å; Y15-V65 HydrophobicContact CE2-CG2 3.84Å; E61-V65 WeakPolarHBondContact O-CG2 3.38Å; E61-V65 PolarHBondContact O-N 3.1Å; A62-V65 PolarHBondContact O-N 3.09Å; V65-D68 VanDerWaalsContact O-O 3.14Å; V65-K71 HydrophobicContact CG1-CB 4.23Å; V65-K71 WeakPolarHBondContact O-CB 3.37Å; V65-R72 PolarHBondContact O-N 3.08Å; V65-R72 VanDerWaalsContact O-N 3.15Å; V65-Y75 HydrophobicContact CG1-CD2 4.36Å; V65-Y75 HydrophobicContact CG1-CG 4.21Å; V65-F87 HydrophobicContact CG1-CE1 3.84Å; V65-F87 HydrophobicContact CG1-CZ 4.01Å; V65-F87 HydrophobicContact CG2-CE1 3.82Å
66	L	94.4	Very high	93.5	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-77.8	-22.8	-176.3	-62.8	-173.2	0	0	0	113.7	Y16 L19 I30 A62 R72 Y75	Y16-L66 HydrophobicContact CD1-CD1 3.75Å; Y16-L66 HydrophobicContact CD1-CD2 4.22Å; Y16-L66 HydrophobicContact CE1-CD1 3.86Å; Y16-L66 HydrophobicContact CE1-CD2 3.61Å; Y16-L66 HydrophobicContact CE1-CG 4.37Å; Y16-L66 HydrophobicContact CE2-CD2 4.01Å; Y16-L66 HydrophobicContact CG-CD1 4.33Å; L19-L66 HydrophobicContact CD1-CD1 3.79Å; I30-L66 HydrophobicContact CD1-CB 4.09Å; I30-L66 HydrophobicContact CG2-CB 4.07Å; A62-L66 WeakPolarHBondContact O-CB 3.44Å; A62-L66 VanDerWaalsContact O-CG 3.3Å; A62-L66 WeakPolarHBondContact O-CG 3.41Å; A62-L66 PolarHBondContact O-N 3.02Å; L66-R72 HydrophobicContact CD2-CG 4.22Å; L66-Y75 HydrophobicContact CD2-CD1 4.45Å
67	C	94.8	Very high	93.7	Very high	47 Å²	47	56.3 Å²	56.3	32%	0.318	28%	0.279	S	S	.	.	H	α-helix	trans	-77.7	-24.8	179	-168	0	0	0	0	113	K63	K63-C67 WeakPolarHBondContact O-CB 3.26Å; K63-C67 PolarHBondContact O-N 2.71Å; K63-C67 VanDerWaalsContact O-N 3.08Å
68	D	94.7	Very high	93.9	Very high	66 Å²	66	52.7 Å²	52.7	35%	0.353	26%	0.26	S	S	.	.	S	Bend	trans	-98.2	116.8	176.4	179.5	-20.6	0	0	0	109.5	V65 A70 K71 R72	V65-D68 VanDerWaalsContact O-O 3.14Å; D68-A70 PolarHBondContact O-N 3.29Å; D68-A70 WeakPolarHBondContact OD1-CB 3.31Å; D68-A70 PolarHBondContact OD1-N 3.2Å; D68-K71 HydrophobicContact CB-CB 4.05Å; D68-K71 HydrophobicContact CB-CD 3.96Å; D68-K71 HydrophobicContact CB-CG 4.02Å; D68-K71 PolarHBondContact O-N 3.01Å; D68-K71 VanDerWaalsContact O-N 3.14Å; D68-K71 WeakPolarHBondContact OD2-CE 3.39Å; D68-R72 WeakPolarHBondContact O-CB 3.43Å; D68-R72 PolarHBondContact O-N 3.44Å
69	E	93.7	Very high	93.9	Very high	133 Å²	133	52.1 Å²	52.1	62%	0.621	26%	0.258	S	S	*	.	H	α-helix	trans	-57.2	-34.5	-178.2	-64.9	-176.2	-171.4	0	0	113.4	K73	E69-K73 WeakPolarHBondContact O-CB 3.37Å; E69-K73 WeakPolarHBondContact O-CD 3.44Å; E69-K73 WeakPolarHBondContact O-CG 3.38Å; E69-K73 PolarHBondContact O-N 3.3Å
70	A	93.5	Very high	93.9	Very high	56 Å²	56	60.1 Å²	60.1	46%	0.463	29%	0.287	S	S	.	.	H	α-helix	trans	-71.1	-42.2	179.4	0	0	0	0	0	111	D68 N74	D68-A70 PolarHBondContact O-N 3.29Å; D68-A70 WeakPolarHBondContact OD1-CB 3.31Å; D68-A70 PolarHBondContact OD1-N 3.2Å; A70-N74 PolarHBondContact O-N 2.96Å; A70-N74 PolarHBondContact O-ND2 3.25Å; A70-N74 VanDerWaalsContact O-ND2 3.14Å
71	K	93.8	Very high	93.9	Very high	56 Å²	56	59.1 Å²	59.1	24%	0.243	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-40.5	176.1	-65.2	-179.6	-171.2	167.1	0	111.4	E64 V65 D68 N74 Y75	E64-K71 IonicContact OE1-NZ 3.33Å; E64-K71 PolarHBondContact OE1-NZ 3.02Å; V65-K71 HydrophobicContact CG1-CB 4.23Å; V65-K71 WeakPolarHBondContact O-CB 3.37Å; D68-K71 HydrophobicContact CB-CB 4.05Å; D68-K71 HydrophobicContact CB-CD 3.96Å; D68-K71 HydrophobicContact CB-CG 4.02Å; D68-K71 PolarHBondContact O-N 3.01Å; D68-K71 VanDerWaalsContact O-N 3.14Å; D68-K71 WeakPolarHBondContact OD2-CE 3.39Å; K71-N74 WeakPolarHBondContact O-CB 3.3Å; K71-N74 PolarHBondContact O-N 3.08Å; K71-Y75 PolarHBondContact O-N 3.17Å
72	R	95	Very high	93.7	Very high	37 Å²	37	59.7 Å²	59.7	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-48.7	174.8	-173.3	177.2	-177.5	167	0.7	111.6	Y16 E23 S25 V65 L66 D68 N74 Y75 D76	Y16-R72 WeakPolarHBondContact OH-CG 3.4Å; Y16-R72 PolarHBondContact OH-NE 3.36Å; Y16-R72 VanDerWaalsContact OH-NE 3.12Å; E23-R72 VanDerWaalsContact C-NH2 3.26Å; E23-R72 PolarHBondContact O-NH2 3.06Å; S25-R72 PolarHBondContact O-NH1 3.11Å; S25-R72 VanDerWaalsContact O-NH1 3.08Å; S25-R72 PolarHBondContact O-NH2 3.17Å; V65-R72 PolarHBondContact O-N 3.08Å; V65-R72 VanDerWaalsContact O-N 3.15Å; L66-R72 HydrophobicContact CD2-CG 4.22Å; D68-R72 WeakPolarHBondContact O-CB 3.43Å; D68-R72 PolarHBondContact O-N 3.44Å; R72-N74 VanDerWaalsContact C-N 3.29Å; R72-N74 PolarHBondContact O-N 3.25Å; R72-Y75 WeakPolarHBondContact O-CA 3.43Å; R72-Y75 WeakPolarHBondContact O-CB 3.29Å; R72-Y75 PolarHBondContact O-N 3.46Å; R72-D76 PolarHBondContact O-N 2.97Å
73	K	94.1	Very high	93.6	Very high	121 Å²	121	62.8 Å²	62.8	53%	0.526	33%	0.326	S	S	.	.	H	α-helix	trans	-57.1	-41.7	175.6	-74.6	167.3	-172.9	169.3	0	112.5	E69 D76 L77	E69-K73 WeakPolarHBondContact O-CB 3.37Å; E69-K73 WeakPolarHBondContact O-CD 3.44Å; E69-K73 WeakPolarHBondContact O-CG 3.38Å; E69-K73 PolarHBondContact O-N 3.3Å; K73-D76 PolarHBondContact O-N 3.46Å; K73-L77 WeakPolarHBondContact O-CB 3.46Å; K73-L77 VanDerWaalsContact O-CG 3.28Å; K73-L77 WeakPolarHBondContact O-CG 3.47Å; K73-L77 PolarHBondContact O-N 3Å
74	N	93.9	Very high	93.3	Very high	55 Å²	55	66 Å²	66	29%	0.294	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-39.2	176.4	-72.9	-32.4	0	0	0	112.2	A70 K71 R72 L77 W78 W90	A70-N74 PolarHBondContact O-N 2.96Å; A70-N74 PolarHBondContact O-ND2 3.25Å; A70-N74 VanDerWaalsContact O-ND2 3.14Å; K71-N74 WeakPolarHBondContact O-CB 3.3Å; K71-N74 PolarHBondContact O-N 3.08Å; R72-N74 VanDerWaalsContact C-N 3.29Å; R72-N74 PolarHBondContact O-N 3.25Å; N74-L77 WeakPolarHBondContact O-CB 3.39Å; N74-L77 PolarHBondContact O-N 3.34Å; N74-W78 PolarHBondContact O-N 3.34Å; N74-W90 HydrophobicContact CB-CH2 3.85Å; N74-W90 HydrophobicContact CB-CZ3 3.88Å; N74-W90 WeakPolarHBondContact O-CH2 3.43Å
75	Y	94.4	Very high	93.1	Very high	1 Å²	1	65.1 Å²	65.1	0%	0.004	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-46.8	173.5	-177.8	-98.6	0	0	0	111.7	D14 Y15 Y16 V65 L66 K71 R72 L77 W78 K79 F87	D14-Y75 WeakPolarHBondContact CA-OH 3.37Å; D14-Y75 PolarHBondContact OD1-OH 2.93Å; Y15-Y75 HydrophobicContact CD2-CD1 4.5Å; Y15-Y75 AromaticContact CD2-CD2 3.44Å; Y15-Y75 HydrophobicContact CD2-CD2 3.44Å; Y15-Y75 VanDerWaalsContact CD2-CD2 3.44Å; Y15-Y75 HydrophobicContact CD2-CE1 4.32Å; Y15-Y75 AromaticContact CD2-CE2 3.18Å; Y15-Y75 HydrophobicContact CD2-CE2 3.18Å; Y15-Y75 HydrophobicContact CD2-CG 4.1Å; Y15-Y75 AromaticContact CD2-CZ 3.68Å; Y15-Y75 AromaticContact CE2-CD2 3.62Å; Y15-Y75 HydrophobicContact CE2-CD2 3.62Å; Y15-Y75 AromaticContact CE2-CE2 3.52Å; Y15-Y75 HydrophobicContact CE2-CE2 3.52Å; Y15-Y75 HydrophobicContact CG-CD2 4.48Å; Y15-Y75 AromaticContact CG-CE2 3.85Å; Y15-Y75 HydrophobicContact CG-CE2 3.85Å; Y15-Y75 AromaticContact CG-CZ 3.97Å; Y15-Y75 PolarHBondContact N-OH 3.38Å; Y16-Y75 HydrophobicContact CD2-CD1 4.46Å; Y16-Y75 AromaticContact CD2-CE1 3.85Å; Y16-Y75 HydrophobicContact CD2-CE1 3.85Å; Y16-Y75 AromaticContact CE2-CD1 3.84Å; Y16-Y75 HydrophobicContact CE2-CD1 3.84Å; Y16-Y75 AromaticContact CE2-CE1 3.67Å; Y16-Y75 HydrophobicContact CE2-CE1 3.67Å; V65-Y75 HydrophobicContact CG1-CD2 4.36Å; V65-Y75 HydrophobicContact CG1-CG 4.21Å; L66-Y75 HydrophobicContact CD2-CD1 4.45Å; K71-Y75 PolarHBondContact O-N 3.17Å; R72-Y75 WeakPolarHBondContact O-CA 3.43Å; R72-Y75 WeakPolarHBondContact O-CB 3.29Å; R72-Y75 PolarHBondContact O-N 3.46Å; Y75-L77 VanDerWaalsContact C-N 3.26Å; Y75-L77 PolarHBondContact O-N 3.38Å; Y75-W78 AromaticContact CD2-CE3 3.98Å; Y75-W78 HydrophobicContact CD2-CE3 3.98Å; Y75-W78 HydrophobicContact CD2-CZ3 4.27Å; Y75-W78 AromaticContact CE2-CE3 3.76Å; Y75-W78 HydrophobicContact CE2-CE3 3.76Å; Y75-W78 AromaticContact CE2-CZ3 3.57Å; Y75-W78 HydrophobicContact CE2-CZ3 3.57Å; Y75-W78 AromaticContact CZ-CZ3 3.93Å; Y75-W78 PolarHBondContact O-N 3.07Å; Y75-W78 VanDerWaalsContact O-N 3.13Å; Y75-K79 HydrophobicContact CE1-CD 4.33Å; Y75-K79 WeakPolarHBondContact O-CB 3.17Å; Y75-K79 PolarHBondContact O-N 2.94Å; Y75-F87 VanDerWaalsContact CA-CE2 3.43Å; Y75-F87 HydrophobicContact CD2-CB 4.29Å; Y75-F87 AromaticContact CD2-CD1 3.83Å; Y75-F87 HydrophobicContact CD2-CD1 3.83Å; Y75-F87 AromaticContact CD2-CD2 3.68Å; Y75-F87 HydrophobicContact CD2-CD2 3.68Å; Y75-F87 HydrophobicContact CD2-CE1 4Å; Y75-F87 AromaticContact CD2-CE2 3.87Å; Y75-F87 HydrophobicContact CD2-CE2 3.87Å; Y75-F87 AromaticContact CD2-CG 3.64Å; Y75-F87 HydrophobicContact CD2-CG 3.64Å; Y75-F87 HydrophobicContact CD2-CZ 4.01Å; Y75-F87 HydrophobicContact CE2-CB 4.29Å; Y75-F87 HydrophobicContact CE2-CD1 4.38Å; Y75-F87 HydrophobicContact CE2-CD2 4.45Å; Y75-F87 HydrophobicContact CE2-CG 4.11Å; Y75-F87 HydrophobicContact CG-CE2 4.36Å; Y75-F87 HydrophobicContact CG-CZ 4.47Å
76	D	94.1	Very high	92.9	Very high	40 Å²	40	68.3 Å²	68.3	21%	0.214	37%	0.374	C	S	.	.	H	α-helix	trans	-66.1	-29.9	178.2	-55.5	-28.3	0	0	0	111.9	Y16 R72 K73 R80	Y16-D76 PolarHBondContact OH-OD1 3.07Å; R72-D76 PolarHBondContact O-N 2.97Å; K73-D76 PolarHBondContact O-N 3.46Å; D76-R80 WeakPolarHBondContact O-CB 3.37Å; D76-R80 WeakPolarHBondContact O-CG 3.34Å; D76-R80 PolarHBondContact O-N 2.94Å; D76-R80 VanDerWaalsContact O-N 3.11Å; D76-R80 PolarHBondContact O-NE 3.31Å; D76-R80 VanDerWaalsContact O-NE 3.17Å
77	L	93.5	Very high	92.8	Very high	75 Å²	75	68.8 Å²	68.8	39%	0.393	38%	0.376	S	S	.	.	H	α-helix	trans	-67.2	-44.6	170.5	-79.7	164.5	0	0	0	112.3	K73 N74 Y75 R80 S81	K73-L77 WeakPolarHBondContact O-CB 3.46Å; K73-L77 VanDerWaalsContact O-CG 3.28Å; K73-L77 WeakPolarHBondContact O-CG 3.47Å; K73-L77 PolarHBondContact O-N 3Å; N74-L77 WeakPolarHBondContact O-CB 3.39Å; N74-L77 PolarHBondContact O-N 3.34Å; Y75-L77 VanDerWaalsContact C-N 3.26Å; Y75-L77 PolarHBondContact O-N 3.38Å; L77-R80 VanDerWaalsContact O-CG 3.27Å; L77-R80 WeakPolarHBondContact O-CG 3.33Å; L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.41Å; L77-S81 PolarHBondContact O-OG 3Å
78	W	93.4	Very high	92.5	Very high	39 Å²	39	71.9 Å²	71.9	15%	0.148	39%	0.386	C	S	.	.	H	α-helix	trans	-63.9	-47.7	175.6	167.7	82.5	0	0	0	110.9	N74 Y75 R80 S81 I85 F87 W90	N74-W78 PolarHBondContact O-N 3.34Å; Y75-W78 AromaticContact CD2-CE3 3.98Å; Y75-W78 HydrophobicContact CD2-CE3 3.98Å; Y75-W78 HydrophobicContact CD2-CZ3 4.27Å; Y75-W78 AromaticContact CE2-CE3 3.76Å; Y75-W78 HydrophobicContact CE2-CE3 3.76Å; Y75-W78 AromaticContact CE2-CZ3 3.57Å; Y75-W78 HydrophobicContact CE2-CZ3 3.57Å; Y75-W78 AromaticContact CZ-CZ3 3.93Å; Y75-W78 PolarHBondContact O-N 3.07Å; Y75-W78 VanDerWaalsContact O-N 3.13Å; W78-R80 PolarHBondContact O-N 2.7Å; W78-S81 PolarHBondContact O-N 3.26Å; W78-S81 PolarHBondContact O-OG 3.05Å; W78-I85 PolarHBondContact NE1-O 2.89Å; W78-F87 HydrophobicContact CB-CD2 3.87Å; W78-F87 HydrophobicContact CB-CE2 4.31Å; W78-F87 HydrophobicContact CD2-CB 3.83Å; W78-F87 AromaticContact CD2-CD2 3.86Å; W78-F87 HydrophobicContact CD2-CD2 3.86Å; W78-F87 HydrophobicContact CD2-CG 4.31Å; W78-F87 HydrophobicContact CE3-CB 3.87Å; W78-F87 AromaticContact CE3-CD2 3.99Å; W78-F87 HydrophobicContact CE3-CD2 3.99Å; W78-F87 HydrophobicContact CE3-CG 4.27Å; W78-F87 HydrophobicContact CG-CB 4.47Å; W78-F87 AromaticContact CG-CD2 3.8Å; W78-F87 HydrophobicContact CG-CD2 3.8Å; W78-F87 HydrophobicContact CH2-CB 4.07Å; W78-F87 HydrophobicContact CZ2-CB 4.02Å; W78-F87 HydrophobicContact CZ3-CB 3.99Å; W78-W90 HydrophobicContact CB-CD2 4.13Å; W78-W90 HydrophobicContact CB-CE3 4.17Å; W78-W90 HydrophobicContact CB-CZ3 4.39Å; W78-W90 AromaticContact CD1-CD1 3.95Å; W78-W90 AromaticContact CD1-CD2 3.98Å; W78-W90 AromaticContact CD1-CG 3.63Å; W78-W90 HydrophobicContact CG-CD2 4.34Å; W78-W90 HydrophobicContact CG-CG 4.4Å
79	K	91.6	Very high	92.4	Very high	74 Å²	74	73.9 Å²	73.9	32%	0.322	39%	0.393	S	S	.	.	H	α-helix	trans	-58.8	-45.9	179.7	-168.3	-178.1	-179.4	-168.9	0	112.2	D14 E23 Y75 S81	D14-K79 IonicContact OD2-NZ 3.96Å; E23-K79 IonicContact OE1-NZ 2.78Å; E23-K79 PolarHBondContact OE1-NZ 3.08Å; Y75-K79 HydrophobicContact CE1-CD 4.33Å; Y75-K79 WeakPolarHBondContact O-CB 3.17Å; Y75-K79 PolarHBondContact O-N 2.94Å; K79-S81 VanDerWaalsContact C-N 3.26Å; K79-S81 PolarHBondContact O-N 2.65Å
80	R	92.2	Very high	92.3	Very high	177 Å²	177	70.1 Å²	70.1	67%	0.668	37%	0.373	S	S	*	.	H	α-helix	trans	-68.7	-23.7	177.7	78.6	179.5	89.5	160.5	5.1	113.7	D76 L77 W78 G82	D76-R80 WeakPolarHBondContact O-CB 3.37Å; D76-R80 WeakPolarHBondContact O-CG 3.34Å; D76-R80 PolarHBondContact O-N 2.94Å; D76-R80 VanDerWaalsContact O-N 3.11Å; D76-R80 PolarHBondContact O-NE 3.31Å; D76-R80 VanDerWaalsContact O-NE 3.17Å; L77-R80 VanDerWaalsContact O-CG 3.27Å; L77-R80 WeakPolarHBondContact O-CG 3.33Å; W78-R80 PolarHBondContact O-N 2.7Å; R80-G82 VanDerWaalsContact C-N 3.34Å
81	S	92.2	Very high	92.2	Very high	57 Å²	57	72.1 Å²	72.1	40%	0.399	37%	0.369	S	S	.	.	H	α-helix	trans	-78.9	-16.9	-175.2	70.1	0	0	0	0	113.6	L77 W78 K79 I83	L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.48Å; L77-S81 PolarHBondContact O-N 3.41Å; L77-S81 PolarHBondContact O-OG 3Å; W78-S81 PolarHBondContact O-N 3.26Å; W78-S81 PolarHBondContact O-OG 3.05Å; K79-S81 VanDerWaalsContact C-N 3.26Å; K79-S81 PolarHBondContact O-N 2.65Å; S81-I83 PolarHBondContact O-N 3.41Å; S81-I83 WeakPolarHBondContact OG-CD1 3.34Å; S81-I83 WeakPolarHBondContact OG-CG1 3.01Å
82	G	91	Very high	92	Very high	70 Å²	70	72.1 Å²	72.1	72%	0.722	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	25	179	0	0	0	0	0	113.9	R80	R80-G82 VanDerWaalsContact C-N 3.34Å
83	I	90.1	Very high	91.7	Very high	64 Å²	64	74.5 Å²	74.5	33%	0.328	40%	0.395	S	S	.	.			trans	-69.7	132	178.1	-64.4	165.5	0	0	0	109.1	S81 I85	S81-I83 PolarHBondContact O-N 3.41Å; S81-I83 WeakPolarHBondContact OG-CD1 3.34Å; S81-I83 WeakPolarHBondContact OG-CG1 3.01Å; I83-I85 HydrophobicContact CG2-CB 3.77Å; I83-I85 HydrophobicContact CG2-CD1 4Å; I83-I85 HydrophobicContact CG2-CG1 3.82Å; I83-I85 PolarHBondContact O-N 3.32Å
84	S	89.6	Confident	91.4	Very high	126 Å²	126	71.3 Å²	71.3	88%	0.881	38%	0.383	S	S	*	.	S	Bend	trans	-71.5	-10.8	-179.6	-176.8	0	0	0	0	114.6
85	I	90.6	Very high	90.9	Very high	65 Å²	65	71.8 Å²	71.8	33%	0.333	39%	0.386	S	S	.	.	S	Bend	trans	-78.7	134.4	-179.2	-56.4	171.4	0	0	0	108.6	W78 I83 E89	W78-I85 PolarHBondContact NE1-O 2.89Å; I83-I85 HydrophobicContact CG2-CB 3.77Å; I83-I85 HydrophobicContact CG2-CD1 4Å; I83-I85 HydrophobicContact CG2-CG1 3.82Å; I83-I85 PolarHBondContact O-N 3.32Å; I85-E89 HydrophobicContact CG2-CB 3.74Å; I85-E89 HydrophobicContact CG2-CG 3.76Å
86	P	91.4	Very high	90.4	Very high	74 Å²	74	74.9 Å²	74.9	48%	0.481	41%	0.408	S	S	.	.			trans	-61.4	147.4	177.9	25.6	-33.7	0	0	0	111.4	Q88 E89 W90	P86-Q88 PolarHBondContact O-N 3.19Å; P86-Q88 VanDerWaalsContact O-N 3.13Å; P86-E89 HydrophobicContact CG-CB 3.9Å; P86-E89 PolarHBondContact O-N 3.36Å; P86-E89 VanDerWaalsContact O-N 3.08Å; P86-W90 PolarHBondContact O-N 3.34Å
87	F	90.7	Very high	89.5	Confident	11 Å²	11	76.6 Å²	76.6	5%	0.048	42%	0.419	C	S	.	.	H	α-helix	trans	-54.5	-37.7	-174.9	176.3	-108.1	0	0	0	113.6	Y15 V65 Y75 W78 E89 W90 R91	Y15-F87 AromaticContact CE2-CD1 3.49Å; Y15-F87 HydrophobicContact CE2-CD1 3.49Å; Y15-F87 VanDerWaalsContact CE2-CD1 3.49Å; Y15-F87 AromaticContact CE2-CE1 3.82Å; Y15-F87 HydrophobicContact CE2-CE1 3.82Å; Y15-F87 HydrophobicContact CE2-CG 4.33Å; Y15-F87 AromaticContact CZ-CD1 3.93Å; V65-F87 HydrophobicContact CG1-CE1 3.84Å; V65-F87 HydrophobicContact CG1-CZ 4.01Å; V65-F87 HydrophobicContact CG2-CE1 3.82Å; Y75-F87 VanDerWaalsContact CA-CE2 3.43Å; Y75-F87 HydrophobicContact CD2-CB 4.29Å; Y75-F87 AromaticContact CD2-CD1 3.83Å; Y75-F87 HydrophobicContact CD2-CD1 3.83Å; Y75-F87 AromaticContact CD2-CD2 3.68Å; Y75-F87 HydrophobicContact CD2-CD2 3.68Å; Y75-F87 HydrophobicContact CD2-CE1 4Å; Y75-F87 AromaticContact CD2-CE2 3.87Å; Y75-F87 HydrophobicContact CD2-CE2 3.87Å; Y75-F87 AromaticContact CD2-CG 3.64Å; Y75-F87 HydrophobicContact CD2-CG 3.64Å; Y75-F87 HydrophobicContact CD2-CZ 4.01Å; Y75-F87 HydrophobicContact CE2-CB 4.29Å; Y75-F87 HydrophobicContact CE2-CD1 4.38Å; Y75-F87 HydrophobicContact CE2-CD2 4.45Å; Y75-F87 HydrophobicContact CE2-CG 4.11Å; Y75-F87 HydrophobicContact CG-CE2 4.36Å; Y75-F87 HydrophobicContact CG-CZ 4.47Å; W78-F87 HydrophobicContact CB-CD2 3.87Å; W78-F87 HydrophobicContact CB-CE2 4.31Å; W78-F87 HydrophobicContact CD2-CB 3.83Å; W78-F87 AromaticContact CD2-CD2 3.86Å; W78-F87 HydrophobicContact CD2-CD2 3.86Å; W78-F87 HydrophobicContact CD2-CG 4.31Å; W78-F87 HydrophobicContact CE3-CB 3.87Å; W78-F87 AromaticContact CE3-CD2 3.99Å; W78-F87 HydrophobicContact CE3-CD2 3.99Å; W78-F87 HydrophobicContact CE3-CG 4.27Å; W78-F87 HydrophobicContact CG-CB 4.47Å; W78-F87 AromaticContact CG-CD2 3.8Å; W78-F87 HydrophobicContact CG-CD2 3.8Å; W78-F87 HydrophobicContact CH2-CB 4.07Å; W78-F87 HydrophobicContact CZ2-CB 4.02Å; W78-F87 HydrophobicContact CZ3-CB 3.99Å; F87-E89 PolarHBondContact O-N 2.99Å; F87-W90 AromaticContact CD2-CE3 3.77Å; F87-W90 HydrophobicContact CD2-CE3 3.77Å; F87-W90 HydrophobicContact CD2-CZ3 4.18Å; F87-W90 AromaticContact CE2-CE3 3.62Å; F87-W90 HydrophobicContact CE2-CE3 3.62Å; F87-W90 AromaticContact CE2-CZ3 3.58Å; F87-W90 HydrophobicContact CE2-CZ3 3.58Å; F87-W90 HydrophobicContact CZ-CZ3 4.45Å; F87-W90 PolarHBondContact O-N 3.14Å; F87-R91 WeakPolarHBondContact O-CB 3.39Å; F87-R91 PolarHBondContact O-N 3.32Å
88	Q	89.8	Confident	88.4	Confident	113 Å²	113	78.6 Å²	78.6	53%	0.528	43%	0.425	S	S	.	.	H	α-helix	trans	-65.3	-40.3	-178.8	-165.3	161.9	15.6	0	0	112.2	E61 P86 A92	E61-Q88 PolarHBondContact OE1-NE2 3.12Å; P86-Q88 PolarHBondContact O-N 3.19Å; P86-Q88 VanDerWaalsContact O-N 3.13Å; Q88-A92 PolarHBondContact O-N 3.02Å; Q88-A92 VanDerWaalsContact O-N 3.11Å
89	E	91.1	Very high	87.2	Confident	108 Å²	108	81.5 Å²	81.5	51%	0.505	45%	0.447	S	S	.	.	H	α-helix	trans	-71	-44.3	174.9	-174.4	168.7	-161.5	0	0	110.3	I85 P86 F87 R91 A92 L93	I85-E89 HydrophobicContact CG2-CB 3.74Å; I85-E89 HydrophobicContact CG2-CG 3.76Å; P86-E89 HydrophobicContact CG-CB 3.9Å; P86-E89 PolarHBondContact O-N 3.36Å; P86-E89 VanDerWaalsContact O-N 3.08Å; F87-E89 PolarHBondContact O-N 2.99Å; E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 3.13Å; E89-A92 WeakPolarHBondContact O-CB 3.45Å; E89-A92 PolarHBondContact O-N 3.4Å; E89-L93 HydrophobicContact CG-CD1 3.66Å; E89-L93 WeakPolarHBondContact O-CD1 3.45Å; E89-L93 PolarHBondContact O-N 2.98Å
90	W	92.2	Very high	86.5	Confident	53 Å²	53	80.5 Å²	80.5	20%	0.201	45%	0.449	C	S	.	.	H	α-helix	trans	-55.1	-41.2	174	176.3	88	0	0	0	112.7	N74 W78 P86 F87 L93 N94	N74-W90 HydrophobicContact CB-CH2 3.85Å; N74-W90 HydrophobicContact CB-CZ3 3.88Å; N74-W90 WeakPolarHBondContact O-CH2 3.43Å; W78-W90 HydrophobicContact CB-CD2 4.13Å; W78-W90 HydrophobicContact CB-CE3 4.17Å; W78-W90 HydrophobicContact CB-CZ3 4.39Å; W78-W90 AromaticContact CD1-CD1 3.95Å; W78-W90 AromaticContact CD1-CD2 3.98Å; W78-W90 AromaticContact CD1-CG 3.63Å; W78-W90 HydrophobicContact CG-CD2 4.34Å; W78-W90 HydrophobicContact CG-CG 4.4Å; P86-W90 PolarHBondContact O-N 3.34Å; F87-W90 AromaticContact CD2-CE3 3.77Å; F87-W90 HydrophobicContact CD2-CE3 3.77Å; F87-W90 HydrophobicContact CD2-CZ3 4.18Å; F87-W90 AromaticContact CE2-CE3 3.62Å; F87-W90 HydrophobicContact CE2-CE3 3.62Å; F87-W90 AromaticContact CE2-CZ3 3.58Å; F87-W90 HydrophobicContact CE2-CZ3 3.58Å; F87-W90 HydrophobicContact CZ-CZ3 4.45Å; F87-W90 PolarHBondContact O-N 3.14Å; W90-L93 PolarHBondContact O-N 3.28Å; W90-N94 PolarHBondContact O-N 3.41Å
91	R	90.9	Very high	85.5	Confident	98 Å²	98	77.6 Å²	77.6	37%	0.37	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-46.4	174.6	-179.3	-172.7	139.8	162.4	-8.5	111.3	F87 E89 L93 N94 D95	F87-R91 WeakPolarHBondContact O-CB 3.39Å; F87-R91 PolarHBondContact O-N 3.32Å; E89-R91 VanDerWaalsContact C-N 3.26Å; E89-R91 PolarHBondContact O-N 3.13Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 2.92Å; R91-N94 WeakPolarHBondContact O-CB 3.35Å; R91-N94 PolarHBondContact O-N 2.94Å; R91-N94 VanDerWaalsContact O-N 3.17Å; R91-D95 IonicContact NE-OD2 2.7Å; R91-D95 PolarHBondContact O-N 2.97Å
92	A	90.6	Very high	84.2	Confident	57 Å²	57	82.5 Å²	82.5	47%	0.471	46%	0.461	S	S	.	.	H	α-helix	trans	-60.9	-39.6	178.6	0	0	0	0	0	112.1	Q88 E89 D95 S96	Q88-A92 PolarHBondContact O-N 3.02Å; Q88-A92 VanDerWaalsContact O-N 3.11Å; E89-A92 WeakPolarHBondContact O-CB 3.45Å; E89-A92 PolarHBondContact O-N 3.4Å; A92-D95 PolarHBondContact O-N 3.16Å; A92-S96 WeakPolarHBondContact O-CB 3.28Å; A92-S96 PolarHBondContact O-N 3Å
93	L	88.9	Confident	82.9	Confident	87 Å²	87	88.6 Å²	88.6	46%	0.455	46%	0.462	S	S	.	.	H	α-helix	trans	-62.1	-44.4	173.7	-86.1	81.1	0	0	0	111.6	E89 W90 R91 D95 S96 V97	E89-L93 HydrophobicContact CG-CD1 3.66Å; E89-L93 WeakPolarHBondContact O-CD1 3.45Å; E89-L93 PolarHBondContact O-N 2.98Å; W90-L93 PolarHBondContact O-N 3.28Å; R91-L93 VanDerWaalsContact C-N 3.31Å; R91-L93 PolarHBondContact O-N 2.92Å; L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 PolarHBondContact O-N 3.34Å; L93-S96 PolarHBondContact O-N 3.02Å; L93-V97 WeakPolarHBondContact O-CG2 3.12Å; L93-V97 PolarHBondContact O-N 2.97Å
94	N	87.1	Confident	81.8	Confident	53 Å²	53	88.5 Å²	88.5	28%	0.283	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-39.4	177.9	-170.6	24.2	0	0	0	112.1	W90 R91 K98	W90-N94 PolarHBondContact O-N 3.41Å; R91-N94 WeakPolarHBondContact O-CB 3.35Å; R91-N94 PolarHBondContact O-N 2.94Å; R91-N94 VanDerWaalsContact O-N 3.17Å; N94-K98 PolarHBondContact ND2-NZ 3.03Å; N94-K98 WeakPolarHBondContact O-CG 3.44Å; N94-K98 PolarHBondContact O-N 3.31Å; N94-K98 WeakPolarHBondContact OD1-CE 3.37Å
95	D	84	Confident	80.4	Confident	65 Å²	65	87 Å²	87	35%	0.348	46%	0.457	S	S	.	.	H	α-helix	trans	-74.6	-34.1	178.3	-66.3	-21.6	0	0	0	112.3	R91 A92 L93 K98 T99	R91-D95 IonicContact NE-OD2 2.7Å; R91-D95 PolarHBondContact O-N 2.97Å; A92-D95 PolarHBondContact O-N 3.16Å; L93-D95 VanDerWaalsContact C-N 3.29Å; L93-D95 PolarHBondContact O-N 3.34Å; D95-K98 PolarHBondContact O-N 3.3Å; D95-K98 IonicContact OD1-NZ 3.86Å; D95-K98 PolarHBondContact OD1-NZ 3.41Å; D95-T99 WeakPolarHBondContact O-CG2 3.26Å; D95-T99 PolarHBondContact O-N 3.34Å; D95-T99 PolarHBondContact O-OG1 3.42Å
96	S	84.1	Confident	79.1	Confident	67 Å²	67	95.1 Å²	95.1	47%	0.469	48%	0.483	S	S	.	.	H	α-helix	trans	-63.1	-43.5	173.8	-178.4	0	0	0	0	112.2	A92 L93 K98 T99 S100	A92-S96 WeakPolarHBondContact O-CB 3.28Å; A92-S96 PolarHBondContact O-N 3Å; L93-S96 PolarHBondContact O-N 3.02Å; S96-K98 VanDerWaalsContact C-N 3.31Å; S96-K98 PolarHBondContact O-N 2.95Å; S96-T99 WeakPolarHBondContact CA-OG1 3.49Å; S96-T99 PolarHBondContact O-N 2.9Å; S96-T99 PolarHBondContact O-OG1 2.78Å; S96-S100 WeakPolarHBondContact O-CB 3.12Å; S96-S100 PolarHBondContact O-N 3.35Å
97	V	75.6	Confident	77.6	Confident	75 Å²	75	96.9 Å²	96.9	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-61.9	-41.2	177.3	175.2	0	0	0	0	111	L93 M101	L93-V97 WeakPolarHBondContact O-CG2 3.12Å; L93-V97 PolarHBondContact O-N 2.97Å; V97-M101 HydrophobicContact CG1-CE 3.6Å; V97-M101 HydrophobicContact CG1-SD 3.87Å; V97-M101 WeakPolarHBondContact O-CB 3.4Å; V97-M101 VanDerWaalsContact O-CG 3.23Å; V97-M101 WeakPolarHBondContact O-CG 3.38Å; V97-M101 PolarHBondContact O-N 3.06Å; V97-M101 VanDerWaalsContact O-N 3.12Å
98	K	69.6	Low	76.1	Confident	118 Å²	118	105.9 Å²	105.9	51%	0.513	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-44.4	177.5	-68.2	169.9	-164	158.8	0	112.6	N94 D95 S96	N94-K98 PolarHBondContact ND2-NZ 3.03Å; N94-K98 WeakPolarHBondContact O-CG 3.44Å; N94-K98 PolarHBondContact O-N 3.31Å; N94-K98 WeakPolarHBondContact OD1-CE 3.37Å; D95-K98 PolarHBondContact O-N 3.3Å; D95-K98 IonicContact OD1-NZ 3.86Å; D95-K98 PolarHBondContact OD1-NZ 3.41Å; S96-K98 VanDerWaalsContact C-N 3.31Å; S96-K98 PolarHBondContact O-N 2.95Å
99	T	69	Low	74.9	Confident	100 Å²	100	109.1 Å²	109.1	61%	0.613	54%	0.544	S	S	*	.	H	α-helix	trans	-72.3	-39.5	-179.1	48.7	0	0	0	0	112.1	D95 S96 M101 H102	D95-T99 WeakPolarHBondContact O-CG2 3.26Å; D95-T99 PolarHBondContact O-N 3.34Å; D95-T99 PolarHBondContact O-OG1 3.42Å; S96-T99 WeakPolarHBondContact CA-OG1 3.49Å; S96-T99 PolarHBondContact O-N 2.9Å; S96-T99 PolarHBondContact O-OG1 2.78Å; T99-M101 VanDerWaalsContact C-N 3.3Å; T99-M101 PolarHBondContact O-N 3.11Å; T99-H102 PolarHBondContact O-N 3.26Å
100	S	76.6	Confident	73.6	Confident	52 Å²	52	112 Å²	112	36%	0.364	56%	0.557	S	S	.	*	H	α-helix	trans	-70.5	-22.2	178.2	-172.2	0	0	0	0	113.3	S96 H102 W103	S96-S100 WeakPolarHBondContact O-CB 3.12Å; S96-S100 PolarHBondContact O-N 3.35Å; S100-H102 VanDerWaalsContact C-N 3.35Å; S100-W103 PolarHBondContact O-NE1 3.18Å; S100-W103 PolarHBondContact OG-NE1 3.39Å
101	M	71.6	Confident	72.2	Confident	117 Å²	117	115 Å²	115	58%	0.576	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-79.4	-14.9	178.4	-75.6	179.1	172.9	0	0	113.9	V97 T99 W103 A104 V105	V97-M101 HydrophobicContact CG1-CE 3.6Å; V97-M101 HydrophobicContact CG1-SD 3.87Å; V97-M101 WeakPolarHBondContact O-CB 3.4Å; V97-M101 VanDerWaalsContact O-CG 3.23Å; V97-M101 WeakPolarHBondContact O-CG 3.38Å; V97-M101 PolarHBondContact O-N 3.06Å; V97-M101 VanDerWaalsContact O-N 3.12Å; T99-M101 VanDerWaalsContact C-N 3.3Å; T99-M101 PolarHBondContact O-N 3.11Å; M101-W103 VanDerWaalsContact C-N 3.3Å; M101-W103 PolarHBondContact O-N 3.14Å; M101-A104 PolarHBondContact O-N 3.42Å; M101-V105 PolarHBondContact O-N 3Å
102	H	63.3	Low	71.1	Confident	160 Å²	160	118.4 Å²	118.4	74%	0.741	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-62.9	-30.4	-178.5	179	-86.4	0	0	0	113.8	T99 S100	T99-H102 PolarHBondContact O-N 3.26Å; S100-H102 VanDerWaalsContact C-N 3.35Å
103	W	64.4	Low	69.5	Low	197 Å²	197	123.6 Å²	123.6	75%	0.746	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-89.3	-17.2	178.8	63.5	-97.4	0	0	0	113.9	S100 M101	S100-W103 PolarHBondContact O-NE1 3.18Å; S100-W103 PolarHBondContact OG-NE1 3.39Å; M101-W103 VanDerWaalsContact C-N 3.3Å; M101-W103 PolarHBondContact O-N 3.14Å
104	A	67.4	Low	68.3	Low	63 Å²	63	126.9 Å²	126.9	52%	0.521	64%	0.638	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.4	-16.4	-179.9	0	0	0	0	0	112.7	M101 R106	M101-A104 PolarHBondContact O-N 3.42Å; A104-R106 PolarHBondContact O-N 3.08Å; A104-R106 VanDerWaalsContact O-N 3.15Å
105	V	60.1	Low	66.2	Low	95 Å²	95	128.2 Å²	128.2	58%	0.576	65%	0.652	S	S	*	*			trans	-81	94.5	173	179	0	0	0	0	109.1	M101 T107	M101-V105 PolarHBondContact O-N 3Å; V105-T107 VanDerWaalsContact C-N 3.29Å; V105-T107 HydrophobicContact CG1-CG2 3.93Å; V105-T107 PolarHBondContact O-N 3.13Å
106	R	62.8	Low	63.8	Low	235 Å²	235	131 Å²	131	89%	0.887	68%	0.675	S	S	*	*			trans	-65.9	92.4	162.3	-68	-177.4	178.7	152.6	-0.1	107.9	A104 K108	A104-R106 PolarHBondContact O-N 3.08Å; A104-R106 VanDerWaalsContact O-N 3.15Å; R106-K108 PolarHBondContact O-N 2.62Å
107	T	60.2	Low	62.1	Low	110 Å²	110	135.5 Å²	135.5	68%	0.675	69%	0.688	S	S	*	*			trans	-65.7	104.8	165.3	57.4	0	0	0	0	106.4	V105 K109	V105-T107 VanDerWaalsContact C-N 3.29Å; V105-T107 HydrophobicContact CG1-CG2 3.93Å; V105-T107 PolarHBondContact O-N 3.13Å; T107-K109 PolarHBondContact O-N 3.49Å
108	K	59.3	Low	60.7	Low	200 Å²	200	137.3 Å²	137.3	87%	0.87	70%	0.702	S	S	*	*			trans	-66.4	77.6	163.8	-85.4	-175.8	171.2	-178.1	0	107.3	R106	R106-K108 PolarHBondContact O-N 2.62Å
109	K	64.8	Low	59.5	Low	182 Å²	182	134.6 Å²	134.6	79%	0.791	71%	0.707	S	S	*	*			trans	-93.5	101.7	149.7	-90.9	-177	173.5	178.1	0	104.4	T107 P111	T107-K109 PolarHBondContact O-N 3.49Å; K109-P111 WeakPolarHBondContact O-CD 3.41Å; K109-P111 VanDerWaalsContact O-N 3.15Å
110	E	62.5	Low	58.2	Low	167 Å²	167	137.6 Å²	137.6	78%	0.78	72%	0.72	S	S	*	*			trans	-52.5	122.7	165.5	-63.7	-157.9	163.1	0	0	107.2	M112	E110-M112 PolarHBondContact O-N 3.43Å
111	P	64.2	Low	57	Low	116 Å²	116	140.6 Å²	140.6	75%	0.753	74%	0.738	S	S	*	*			trans	-63.6	107.4	176	24.8	-30.4	0	0	0	107.1	K109 L113	K109-P111 WeakPolarHBondContact O-CD 3.41Å; K109-P111 VanDerWaalsContact O-N 3.15Å; P111-L113 PolarHBondContact O-N 2.81Å
112	M	66.1	Low	55.2	Low	171 Å²	171	139.8 Å²	139.8	84%	0.842	75%	0.75	S	S	*	*			trans	-65.7	82.8	174.9	-66.7	-175.3	68.6	0	0	109.1	E110 E114	E110-M112 PolarHBondContact O-N 3.43Å; M112-E114 PolarHBondContact O-N 3.47Å
113	L	58.1	Low	53.7	Low	165 Å²	165	136.2 Å²	136.2	86%	0.864	75%	0.748	S	S	*	*			trans	-88.7	96.8	158.9	-117.4	104.1	0	0	0	107.4	P111 S115	P111-L113 PolarHBondContact O-N 2.81Å; L113-S115 PolarHBondContact O-N 3.23Å
114	E	63.9	Low	52.1	Low	156 Å²	156	134 Å²	134	73%	0.729	75%	0.75	S	S	*	*			trans	-55.7	124	170.6	-168.1	69.8	-147.7	0	0	109.8	M112 C116	M112-E114 PolarHBondContact O-N 3.47Å; E114-C116 PolarHBondContact O-N 3.12Å
115	S	41.7	Very low	50.1	Low	82 Å²	82	137.8 Å²	137.8	57%	0.573	76%	0.757	S	S	*	*			trans	-71	109.6	171	51.7	0	0	0	0	109.3	L113 Q117	L113-S115 PolarHBondContact O-N 3.23Å; S115-Q117 PolarHBondContact O-N 3.19Å
116	C	35.1	Very low	48.5	Very low	124 Å²	124	139.3 Å²	139.3	84%	0.838	77%	0.766	S	S	*	*			trans	-58.7	105.1	170.6	-161.9	0	0	0	0	109.4	E114	E114-C116 PolarHBondContact O-N 3.12Å
117	Q	48.5	Very low	46.7	Very low	160 Å²	160	134.6 Å²	134.6	75%	0.748	76%	0.759	S	S	*	*			trans	-91.5	126	167.7	-67	-71.3	-24.3	0	0	108.6	S115	S115-Q117 PolarHBondContact O-N 3.19Å
118	P	44.5	Very low	45.2	Very low	113 Å²	113	136.8 Å²	136.8	73%	0.734	76%	0.761	S	S	*	*			trans	-94.8	113.3	154	10.8	7.8	0	0	0	109.1
119	G	46	Very low	43.6	Very low	61 Å²	61	132.3 Å²	132.3	63%	0.629	75%	0.751	S	S	*	*			trans	-64.4	143.6	148.1	0	0	0	0	0	108
120	D	40.8	Very low	41.8	Very low	164 Å²	164	129 Å²	129	88%	0.877	75%	0.75	S	S	*	*				-164	169.6	63.1	-94.6	-30.7	0	0	0	112.5
121	P	52.4	Low	40.1	Very low	115 Å²	115	128.1 Å²	128.1	75%	0.747	75%	0.746	S	S	*	*			trans	-94.9	153.7	-162.6	37.3	-32.3	0	0	0	113.2
122	A	32.3	Very low	38.9	Very low	100 Å²	100	130.6 Å²	130.6	83%	0.826	75%	0.753	S	S	*	*			trans	172.6	119.2	138.9	0	0	0	0	0	114.1
123	A	31.6	Very low	37.7	Very low	85 Å²	85	126.8 Å²	126.8	70%	0.702	74%	0.742	S	S	*	*			trans	92.5	122.3	130.4	0	0	0	0	0	121.6
124	L	30.7	Very low	36.3	Very low	149 Å²	149	126.4 Å²	126.4	78%	0.78	74%	0.739	S	S	*	*			trans	79.5	138.9	144.2	-53.9	163.4	0	0	0	116.2
125	Q	27.1	Very low	34.7	Very low	144 Å²	144	124.4 Å²	124.4	67%	0.673	73%	0.734	S	S	*	*			cis	-173.1	152.3	5.6	-113.4	173.7	76	0	0	106.5
126	T	24.9	Very low	34.4	Very low	126 Å²	126	128 Å²	128	77%	0.773	74%	0.742	S	S	*	*			trans	54.1	150.6	146.2	60.7	0	0	0	0	119.6
127	D	26.8	Very low	34.1	Very low	137 Å²	137	127.6 Å²	127.6	73%	0.733	74%	0.735	S	S	*	*			cis	-177.8	158.2	-14.7	-168.8	20	0	0	0	103.6
128	E	27.2	Very low	33.5	Very low	155 Å²	155	124 Å²	124	72%	0.724	73%	0.733	S	S	*	*			trans	67.6	112.2	157.9	-56.4	-113.1	87	0	0	122.2
129	T	25.6	Very low	33.2	Very low	107 Å²	107	125.7 Å²	125.7	66%	0.656	74%	0.735	S	S	*	*				54.3	109.3	118.8	-37.2	0	0	0	0	120.7
130	S	26.9	Very low	32.6	Very low	111 Å²	111	129.4 Å²	129.4	78%	0.776	74%	0.74	S	S	*	*			trans	-169	104.6	132.8	-141.5	0	0	0	0	113.8
131	E	28.4	Very low	32.2	Very low	149 Å²	149	128 Å²	128	70%	0.696	73%	0.732	S	S	*	*			trans	39.4	110	133.2	-48.9	-60.5	115.6	0	0	120.1
132	N	38.6	Very low	31.4	Very low	168 Å²	168	128.4 Å²	128.4	90%	0.898	73%	0.733	S	S	*	*			trans	-118.3	129.7	144.8	-86.5	-56.4	0	0	0	107.9
133	P	41.2	Very low	31.8	Very low	92 Å²	92	131.3 Å²	131.3	60%	0.597	73%	0.733	S	S	*	*			trans	-139	134.3	144.1	29.5	-12.3	0	0	0	114.2
134	L	27.5	Very low	32.5	Very low	156 Å²	156	132.9 Å²	132.9	82%	0.817	74%	0.736	S	S	*	*				62.4	158.5	129.6	-58.7	169.4	0	0	0	116.4
135	N	30.7	Very low	32.8	Very low	115 Å²	115	135 Å²	135	62%	0.615	74%	0.742	S	S	*	*			cis	-166.5	136.9	3.5	-134.5	7.1	0	0	0	103.1
136	E	35.4	Very low	33.1	Very low	157 Å²	157	134 Å²	134	73%	0.734	75%	0.751	S	S	*	*				84.7	138.2	100	-145.3	-175	-179.3	0	0	116.4
137	T	29.7	Very low	33.7	Very low	115 Å²	115	130.7 Å²	130.7	71%	0.706	74%	0.742	S	S	*	*			trans	99.5	94.1	145.8	-25.8	0	0	0	0	119.7
138	A	34.5	Very low	34	Very low	84 Å²	84	131.8 Å²	131.8	69%	0.694	75%	0.748	S	S	*	*				31.7	136.3	123.1	0	0	0	0	0	121.8
139	L	38	Very low	35.1	Very low	150 Å²	150	132.8 Å²	132.8	79%	0.785	75%	0.75	S	S	*	*				157.9	145.5	95.7	-109.3	179.8	0	0	0	115.4
140	L	34.6	Very low	36.1	Very low	139 Å²	139	136.9 Å²	136.9	73%	0.728	76%	0.755	S	S	*	*			trans	68.7	150	146.2	-105.6	93.6	0	0	0	117.8
141	D	32.9	Very low	37.2	Very low	134 Å²	134	139.7 Å²	139.7	72%	0.717	76%	0.756	S	S	*	*			cis	-174.2	-180	-12.3	-150.6	-22.3	0	0	0	107.1
142	V	35.4	Very low	37.9	Very low	124 Å²	124	142.1 Å²	142.1	75%	0.752	77%	0.767	S	S	*	*			trans	113.4	98.3	153.3	-168.9	0	0	0	0	116.4
143	L	39.1	Very low	38.1	Very low	160 Å²	160	145.2 Å²	145.2	84%	0.838	77%	0.766	S	S	*	*			trans	-85.3	159.9	147.7	-93	157.9	0	0	0	110.2
144	P	47.3	Very low	38.1	Very low	119 Å²	119	150.6 Å²	150.6	77%	0.773	78%	0.78	S	S	*	*				-136.2	159.8	124.3	31.7	-16	0	0	0	115.3
145	Q	37.8	Very low	38.9	Very low	192 Å²	192	154.4 Å²	154.4	90%	0.897	78%	0.784	S	S	*	*			trans	-67.7	149.5	-172.7	-59.6	161.1	5	0	0	114.3
146	S	33.7	Very low	39.7	Very low	123 Å²	123	160 Å²	160	86%	0.86	80%	0.797	S	S	*	*				173.9	130.8	126.7	-180	0	0	0	0	111.6
147	G	35.8	Very low	40.1	Very low	57 Å²	57	156 Å²	156	59%	0.588	79%	0.79	S	S	*	*			trans	61.4	107.1	142.2	0	0	0	0	0	119.3
148	D	33.8	Very low	41.1	Very low	161 Å²	161	156.2 Å²	156.2	86%	0.861	80%	0.796	S	S	*	*				136.2	90.7	127.1	-62.4	-21.1	0	0	0	112
149	F	50.2	Low	41.7	Very low	176 Å²	176	159 Å²	159	77%	0.772	80%	0.799	S	S	*	*			trans	-56.2	139.5	156.9	-113.7	-106.3	0	0	0	108.7
150	Y	46	Very low	42.5	Very low	192 Å²	192	156.8 Å²	156.8	75%	0.753	80%	0.797	S	S	*	*	S	Bend	trans	91.1	121.3	172.2	-47.3	-71.4	0	0	0	117.5
151	H	50.6	Low	43.4	Very low	171 Å²	171	154.5 Å²	154.5	79%	0.792	79%	0.79	S	S	*	*			trans	83.3	89.9	166.5	-63.7	-71.5	0	0	0	119
152	Q	44.1	Very low	44.7	Very low	200 Å²	200	151.4 Å²	151.4	94%	0.935	78%	0.779	S	S	*	*			trans	-135.6	105.6	133.7	-109	142	65.4	0	0	111.6
153	R	41.6	Very low	45.7	Very low	233 Å²	233	150.5 Å²	150.5	88%	0.879	78%	0.777	S	S	*	*			trans	-41.7	134.6	169.1	-88.5	170.8	161.5	-176.3	-4.9	111.1	R155	R153-R155 PolarHBondContact O-N 3.25Å
154	F	40.8	Very low	46.5	Very low	204 Å²	204	148.5 Å²	148.5	90%	0.895	77%	0.767	S	S	*	*			trans	-31.2	99.1	154.5	-85.8	-100.6	0	0	0	111.1
155	R	45.9	Very low	47	Very low	236 Å²	236	148.2 Å²	148.2	89%	0.891	76%	0.758	S	S	*	*			trans	-87.8	104	163.4	-149.1	-162.5	-93.1	-143.3	2	103.7	R153 A157	R153-R155 PolarHBondContact O-N 3.25Å; R155-A157 VanDerWaalsContact C-N 3.35Å; R155-A157 PolarHBondContact O-N 3.14Å
156	W	46.7	Very low	48	Very low	233 Å²	233	146 Å²	146	88%	0.883	75%	0.748	S	S	*	*			trans	-52.5	110.8	162.3	-78	3.7	0	0	0	105.4	S158	W156-S158 VanDerWaalsContact C-N 3.31Å; W156-S158 PolarHBondContact O-N 3.48Å
157	A	42.8	Very low	49.2	Very low	72 Å²	72	147.8 Å²	147.8	60%	0.595	74%	0.74	S	S	*	*			trans	-57.1	110	162.7	0	0	0	0	0	104.2	R155 D159	R155-A157 VanDerWaalsContact C-N 3.35Å; R155-A157 PolarHBondContact O-N 3.14Å; A157-D159 WeakPolarHBondContact CB-OD2 3.36Å; A157-D159 PolarHBondContact O-N 3.3Å
158	S	51.7	Low	50.1	Low	120 Å²	120	152.8 Å²	152.8	84%	0.839	75%	0.746	S	S	*	*			trans	-66.9	64.8	161.1	49.8	0	0	0	0	106.7	W156 S160	W156-S158 VanDerWaalsContact C-N 3.31Å; W156-S158 PolarHBondContact O-N 3.48Å; S158-S160 PolarHBondContact O-N 3.02Å
159	D	48	Very low	51.5	Low	142 Å²	142	155 Å²	155	76%	0.759	74%	0.742	S	S	*	*			trans	-67.5	127.1	170	-95.1	-51.5	0	0	0	107	A157	A157-D159 WeakPolarHBondContact CB-OD2 3.36Å; A157-D159 PolarHBondContact O-N 3.3Å
160	S	54.6	Low	51.9	Low	105 Å²	105	153.6 Å²	153.6	73%	0.734	74%	0.743	S	S	*	*			trans	-45.7	133.2	-168.5	-152.3	0	0	0	0	112.1	S158 S162	S158-S160 PolarHBondContact O-N 3.02Å; S160-S162 PolarHBondContact O-N 3.2Å
161	P	53.6	Low	52.1	Low	90 Å²	90	154.2 Å²	154.2	58%	0.584	75%	0.745	S	S	*	*			trans	-59.9	117	175.7	25.5	-31.2	0	0	0	108.1	C163	P161-C163 PolarHBondContact O-N 3.16Å
162	S	60.2	Low	52.2	Low	69 Å²	69	155.2 Å²	155.2	48%	0.483	75%	0.75	S	S	.	*			trans	-49.2	137.5	174.2	59.3	0	0	0	0	109.1	S160 L164 L165	S160-S162 PolarHBondContact O-N 3.2Å; S162-L164 PolarHBondContact O-N 3.03Å; S162-L165 PolarHBondContact O-N 2.97Å
163	C	54.9	Low	52.3	Low	105 Å²	105	157.4 Å²	157.4	71%	0.709	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	-10.7	-172.9	64	0	0	0	0	114.8	P161	P161-C163 PolarHBondContact O-N 3.16Å
164	L	57.1	Low	52.9	Low	118 Å²	118	153.6 Å²	153.6	62%	0.618	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-30.8	172	-86.2	157.6	0	0	0	113.9	S162 Q166	S162-L164 PolarHBondContact O-N 3.03Å; L164-Q166 VanDerWaalsContact C-N 3.34Å
165	L	57.7	Low	53.5	Low	114 Å²	114	150.9 Å²	150.9	60%	0.597	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-81.6	-12	-179.7	-92.2	75.2	0	0	0	113.7	S162	S162-L165 PolarHBondContact O-N 2.97Å
166	Q	57.6	Low	53.9	Low	146 Å²	146	146.2 Å²	146.2	68%	0.682	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-80.6	-21.1	178.5	-167	156.9	-6.8	0	0	112.9	L164 F168	L164-Q166 VanDerWaalsContact C-N 3.34Å; Q166-F168 VanDerWaalsContact C-N 3.25Å; Q166-F168 PolarHBondContact O-N 3.41Å
167	K	59.3	Low	54.4	Low	159 Å²	159	141.1 Å²	141.1	69%	0.691	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-77.3	-5.9	-178.9	-65.7	-174.9	-179.5	-178.2	0	114.5
168	F	55.1	Low	55.1	Low	162 Å²	162	145.4 Å²	145.4	71%	0.711	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-105.3	4.1	-178.9	-69.4	-80.2	0	0	0	114	Q166	Q166-F168 VanDerWaalsContact C-N 3.25Å; Q166-F168 PolarHBondContact O-N 3.41Å
169	R	63.3	Low	55.3	Low	208 Å²	208	147.1 Å²	147.1	79%	0.785	74%	0.74	S	S	*	*	S	Bend	trans	-93.6	0.9	179.1	-88.8	177	166.6	155.8	-3.9	115.2
170	N	58.4	Low	55.8	Low	146 Å²	146	147.5 Å²	147.5	78%	0.781	74%	0.738	S	S	*	*			trans	-123.1	49	179.6	-76.7	15.5	0	0	0	112.6
171	Y	49.8	Very low	55.9	Low	205 Å²	205	150.8 Å²	150.8	80%	0.804	74%	0.739	S	S	*	*			trans	-121.3	87.7	157.1	-70	-78.5	0	0	0	107.6
172	E	52.3	Low	56.1	Low	193 Å²	193	155.8 Å²	155.8	90%	0.902	75%	0.752	S	S	*	*			trans	-79.6	151.3	157.6	-73.2	-174.6	148.1	0	0	109
173	I	47.6	Very low	55.7	Low	245 Å²	245	163.7 Å²	163.7	100%	1.256	78%	0.776	S	S	*	*			trans	-63.3	0	179.6	-64.9	161.6	0	0	0	111.3

Retrieved 173 of 173 residues in 67.3 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).