A0A087XL91_POEFO Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A087XL91, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 370 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	49.2	Very low	43.6	Very low	241 Å²	241	161.1 Å²	161.1	100%	1.187	87%	0.873	S	S	*	*				0	133.2	0	-87.5	179.4	-99.1	0	0	108.6
2	R	46.6	Very low	43.3	Very low	247 Å²	247	153.6 Å²	153.6	93%	0.932	85%	0.849	S	S	*	*			trans	72.8	96.1	179.9	-61.3	-178	175.4	-167.8	-1.2	116.3
3	S	41.8	Very low	43.1	Very low	122 Å²	122	146.8 Å²	146.8	85%	0.853	83%	0.825	S	S	*	*			trans	153.1	45.8	135.1	-72.2	0	0	0	0	112.1
4	L	43.6	Very low	42.7	Very low	183 Å²	183	143.8 Å²	143.8	96%	0.958	82%	0.817	S	S	*	*			trans	-129.6	57	177.3	-129.8	115.2	0	0	0	109.7
5	A	47.4	Very low	42.3	Very low	93 Å²	93	143.7 Å²	143.7	77%	0.769	81%	0.811	S	S	*	*	S	Bend	trans	-151.9	24.6	180	0	0	0	0	0	114.6
6	L	46.3	Very low	42	Very low	164 Å²	164	143.5 Å²	143.5	86%	0.859	81%	0.806	S	S	*	*	S	Bend	trans	-132.2	8.4	-177.1	-123.6	102.2	0	0	0	117.1
7	L	41.1	Very low	41.6	Very low	173 Å²	173	143 Å²	143	91%	0.906	80%	0.8	S	S	*	*	S	Bend	trans	-122.4	4.7	-176.2	-86.1	153.4	0	0	0	115.7
8	L	39.6	Very low	41.4	Very low	176 Å²	176	142 Å²	142	92%	0.921	80%	0.798	S	S	*	*	S	Bend	trans	-101.9	0.9	173.7	-78	160.1	0	0	0	113.9
9	G	42.1	Very low	41	Very low	65 Å²	65	139.8 Å²	139.8	67%	0.67	79%	0.793	S	S	*	*	S	Bend	trans	-95.2	-1	-174.6	0	0	0	0	0	117
10	V	44.6	Very low	40.6	Very low	119 Å²	119	137.8 Å²	137.8	72%	0.721	79%	0.788	S	S	*	*	S	Bend	trans	-118	-14.5	-171.3	-175.4	0	0	0	0	114.1
11	K	37.8	Very low	40.2	Very low	189 Å²	189	139.1 Å²	139.1	82%	0.822	79%	0.792	S	S	*	*	S	Bend	trans	-92.2	-9.8	176.8	-75.9	-168.2	178.2	-176.4	0	115.5
12	A	39.8	Very low	39.2	Very low	71 Å²	71	132 Å²	132	59%	0.587	77%	0.766	S	S	*	*	S	Bend	trans	-87.6	-10	175.6	0	0	0	0	0	114
13	A	40.2	Very low	38.6	Very low	65 Å²	65	132 Å²	132	54%	0.537	77%	0.766	S	S	.	*	S	Bend	trans	-92.6	-10.6	-176.6	0	0	0	0	0	114.7
14	C	37.1	Very low	38.1	Very low	105 Å²	105	132.1 Å²	132.1	71%	0.709	76%	0.762	S	S	*	*	S	Bend	trans	-104.2	-4.5	-179.2	-88.3	0	0	0	0	115.1
15	I	37.2	Very low	37.5	Very low	142 Å²	142	126.1 Å²	126.1	73%	0.728	74%	0.744	S	S	*	*	S	Bend	trans	-101.8	-8.6	178.7	-61.7	177.6	0	0	0	112.2
16	L	37	Very low	36.8	Very low	141 Å²	141	126.3 Å²	126.3	74%	0.738	75%	0.746	S	S	*	*	S	Bend	trans	-100.5	13.7	176.6	-72.4	173.4	0	0	0	115
17	L	36.3	Very low	36.5	Very low	135 Å²	135	124.2 Å²	124.2	71%	0.707	74%	0.739	S	S	*	*	S	Bend	trans	-112.8	9.2	-180	-82.8	166.2	0	0	0	115.3
18	V	37.6	Very low	37	Very low	125 Å²	125	119.7 Å²	119.7	76%	0.758	72%	0.716	S	S	*	*	S	Bend	trans	-117	-3.3	-177.7	-174	0	0	0	0	114.4
19	S	34	Very low	37.7	Very low	100 Å²	100	113.8 Å²	113.8	70%	0.699	69%	0.685	S	S	*	*	S	Bend	trans	-103.1	10.1	-177.4	54.3	0	0	0	0	116.5
20	S	33.7	Very low	38.4	Very low	100 Å²	100	111.2 Å²	111.2	70%	0.699	66%	0.658	S	S	*	*			trans	-116.3	18.1	177.7	65	0	0	0	0	115.2	S22	S20-S22 PolarHBondContact O-N 3.04Å
21	L	31.1	Very low	39.5	Very low	165 Å²	165	105.7 Å²	105.7	86%	0.864	63%	0.625	S	S	*	*			trans	-86.7	56	158.6	-85.3	145.2	0	0	0	109.9	R23	L21-R23 VanDerWaalsContact C-N 3.3Å; L21-R23 PolarHBondContact O-N 3.46Å
22	S	29.2	Very low	41.3	Very low	93 Å²	93	101.3 Å²	101.3	65%	0.65	60%	0.603	S	S	*	*			trans	-55.5	106.9	149.3	-51.2	0	0	0	0	105.1	S20 T24	S20-S22 PolarHBondContact O-N 3.04Å; S22-T24 PolarHBondContact O-N 3.24Å
23	R	32.4	Very low	43.3	Very low	245 Å²	245	98 Å²	98	93%	0.925	58%	0.575	S	S	*	*			trans	-51.4	88.7	157.5	-89.9	178.4	174.2	-176.2	-1.4	106.1	L21 G25	L21-R23 VanDerWaalsContact C-N 3.3Å; L21-R23 PolarHBondContact O-N 3.46Å; R23-G25 PolarHBondContact O-N 3.29Å
24	T	33.2	Very low	45.3	Very low	125 Å²	125	95.1 Å²	95.1	77%	0.767	55%	0.55	S	S	*	*			trans	-67.1	86.4	156.9	46.8	0	0	0	0	103.2	S22 A26	S22-T24 PolarHBondContact O-N 3.24Å; T24-A26 PolarHBondContact O-N 3.3Å
25	G	29.4	Very low	47.3	Very low	57 Å²	57	90.1 Å²	90.1	59%	0.588	52%	0.517	S	S	*	.			trans	-48.8	115.7	163.1	0	0	0	0	0	104.7	R23 V27	R23-G25 PolarHBondContact O-N 3.29Å; G25-V27 VanDerWaalsContact C-N 3.26Å; G25-V27 PolarHBondContact O-N 3.32Å
26	A	32.6	Very low	49.2	Very low	98 Å²	98	83.7 Å²	83.7	81%	0.81	48%	0.484	S	S	*	.			trans	-54.7	100.2	178.7	0	0	0	0	0	106.2	T24 N28	T24-A26 PolarHBondContact O-N 3.3Å; A26-N28 PolarHBondContact O-N 3.17Å
27	V	41.1	Very low	51	Low	119 Å²	119	77.2 Å²	77.2	72%	0.721	45%	0.45	S	S	*	.			trans	-60.6	111.6	175.9	175.6	0	0	0	0	104	G25 N29	G25-V27 VanDerWaalsContact C-N 3.26Å; G25-V27 PolarHBondContact O-N 3.32Å; V27-N29 PolarHBondContact O-N 3.06Å
28	N	50.7	Low	52.7	Low	78 Å²	78	72.8 Å²	72.8	42%	0.417	43%	0.428	S	S	.	.			trans	-59.5	101.7	-176.6	-165.6	19.1	0	0	0	107.3	A26 S30 N117	A26-N28 PolarHBondContact O-N 3.17Å; N28-S30 VanDerWaalsContact CG-OG 3.23Å; N28-S30 PolarHBondContact ND2-OG 2.85Å; N28-S30 PolarHBondContact O-N 3.47Å; N28-S30 PolarHBondContact OD1-OG 3.26Å; N28-N117 PolarHBondContact ND2-OD1 3.37Å
29	N	54.1	Low	53.9	Low	52 Å²	52	68.6 Å²	68.6	28%	0.278	40%	0.402	S	S	.	.			trans	-78.3	-1.2	-172.8	-123.2	27	0	0	0	111.5	V27 G31 R32	V27-N29 PolarHBondContact O-N 3.06Å; N29-G31 PolarHBondContact O-N 2.93Å; N29-R32 PolarHBondContact O-N 2.03Å; N29-R32 WeakPolarHBondContact OD1-CD 3.1Å; N29-R32 PolarHBondContact OD1-NH1 2.83Å
30	S	57.9	Low	54.9	Low	12 Å²	12	65 Å²	65	8%	0.084	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	121.9	176.6	58.4	0	0	0	0	109.9	N28	N28-S30 VanDerWaalsContact CG-OG 3.23Å; N28-S30 PolarHBondContact ND2-OG 2.85Å; N28-S30 PolarHBondContact O-N 3.47Å; N28-S30 PolarHBondContact OD1-OG 3.26Å
31	G	66.3	Low	55.8	Low	3 Å²	3	64.5 Å²	64.5	3%	0.031	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.2	-4.3	174.4	0	0	0	0	0	117.3	N29 W33 W34	N29-G31 PolarHBondContact O-N 2.93Å; G31-W33 PolarHBondContact O-N 2.84Å; G31-W34 WeakPolarHBondContact O-CB 3.48Å; G31-W34 PolarHBondContact O-N 3.37Å
32	R	76.2	Confident	56.5	Low	96 Å²	96	61.5 Å²	61.5	36%	0.362	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-64	-27.6	174.6	-71.4	-178.5	73.3	-176.7	1.4	113.3	N29 W34 G35	N29-R32 PolarHBondContact O-N 2.03Å; N29-R32 WeakPolarHBondContact OD1-CD 3.1Å; N29-R32 PolarHBondContact OD1-NH1 2.83Å; R32-W34 PolarHBondContact O-N 3.43Å; R32-G35 PolarHBondContact O-N 3.32Å
33	W	82.6	Confident	57.3	Low	2 Å²	2	58.7 Å²	58.7	1%	0.008	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-66.6	-22.2	179.7	73.9	-92.7	0	0	0	112.8	G31 G35 I36 L63 I81 L85 V134 F183 V184 S187	G31-W33 PolarHBondContact O-N 2.84Å; W33-G35 PolarHBondContact O-N 2.87Å; W33-I36 HydrophobicContact CE3-CD1 4.44Å; W33-I36 VanDerWaalsContact O-CD1 3.28Å; W33-I36 WeakPolarHBondContact O-CD1 3.24Å; W33-I36 WeakPolarHBondContact O-CG1 3.34Å; W33-I36 PolarHBondContact O-N 2.9Å; W33-L63 HydrophobicContact CB-CD2 3.72Å; W33-I81 HydrophobicContact CZ3-CG2 4.34Å; W33-L85 HydrophobicContact CE3-CD1 4.08Å; W33-L85 HydrophobicContact CH2-CD1 4.45Å; W33-L85 HydrophobicContact CH2-CD2 3.72Å; W33-L85 HydrophobicContact CH2-CG 4.46Å; W33-L85 HydrophobicContact CZ3-CD1 3.62Å; W33-L85 HydrophobicContact CZ3-CD2 3.74Å; W33-L85 HydrophobicContact CZ3-CG 4.01Å; W33-V134 HydrophobicContact CH2-CG2 4Å; W33-V134 HydrophobicContact CZ3-CG2 4.19Å; W33-F183 HydrophobicContact CD2-CE1 4.29Å; W33-F183 HydrophobicContact CE3-CD1 4.48Å; W33-F183 AromaticContact CE3-CE1 3.6Å; W33-F183 HydrophobicContact CE3-CE1 3.6Å; W33-F183 HydrophobicContact CE3-CZ 4.41Å; W33-F183 HydrophobicContact CZ3-CD1 4.32Å; W33-F183 AromaticContact CZ3-CE1 3.72Å; W33-F183 HydrophobicContact CZ3-CE1 3.72Å; W33-V184 HydrophobicContact CH2-CG2 3.85Å; W33-V184 HydrophobicContact CZ2-CB 4.34Å; W33-V184 HydrophobicContact CZ2-CG1 3.85Å; W33-V184 HydrophobicContact CZ2-CG2 3.98Å; W33-S187 VanDerWaalsContact CD1-CB 3.49Å; W33-S187 PolarHBondContact NE1-OG 3.34Å
34	W	81.4	Confident	57.9	Low	4 Å²	4	54.6 Å²	54.6	2%	0.015	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-59.3	-28.6	174.9	-66.4	-43.6	0	0	0	111.9	G31 R32 I36 V37 I111 F112 V116 V126 F127 T130	G31-W34 WeakPolarHBondContact O-CB 3.48Å; G31-W34 PolarHBondContact O-N 3.37Å; R32-W34 PolarHBondContact O-N 3.43Å; W34-I36 PolarHBondContact O-N 2.65Å; W34-V37 WeakPolarHBondContact O-CG2 2.98Å; W34-V37 PolarHBondContact O-N 2.94Å; W34-I111 VanDerWaalsContact C-CD1 3.44Å; W34-I111 HydrophobicContact CB-CB 4.43Å; W34-I111 HydrophobicContact CB-CD1 4.17Å; W34-I111 HydrophobicContact CB-CG1 4.33Å; W34-I111 WeakPolarHBondContact O-CD1 3.02Å; W34-F112 AromaticContact CD2-CD2 3.87Å; W34-F112 HydrophobicContact CD2-CD2 3.87Å; W34-F112 AromaticContact CD2-CE2 3.98Å; W34-F112 HydrophobicContact CD2-CE2 3.98Å; W34-F112 AromaticContact CE3-CD2 3.61Å; W34-F112 HydrophobicContact CE3-CD2 3.61Å; W34-F112 HydrophobicContact CE3-CE2 4.21Å; W34-F112 HydrophobicContact CG-CD2 4.43Å; W34-F112 HydrophobicContact CG-CE2 4.2Å; W34-F112 HydrophobicContact CH2-CD2 4.47Å; W34-F112 AromaticContact CZ3-CD2 3.95Å; W34-F112 HydrophobicContact CZ3-CD2 3.95Å; W34-V116 HydrophobicContact CH2-CB 4.18Å; W34-V116 HydrophobicContact CH2-CG1 3.83Å; W34-V116 HydrophobicContact CZ3-CB 3.95Å; W34-V116 HydrophobicContact CZ3-CG1 3.62Å; W34-V116 HydrophobicContact CZ3-CG2 4.01Å; W34-V126 HydrophobicContact CH2-CG1 4.08Å; W34-V126 HydrophobicContact CZ2-CG1 4.11Å; W34-F127 HydrophobicContact CH2-CD2 4.48Å; W34-F127 HydrophobicContact CH2-CE1 4.09Å; W34-F127 AromaticContact CH2-CE2 3.98Å; W34-F127 HydrophobicContact CH2-CE2 3.98Å; W34-F127 AromaticContact CH2-CZ 3.77Å; W34-F127 HydrophobicContact CH2-CZ 3.77Å; W34-F127 HydrophobicContact CZ2-CD1 4.24Å; W34-F127 HydrophobicContact CZ2-CE1 4.05Å; W34-F127 HydrophobicContact CZ2-CZ 4.19Å; W34-T130 PolarHBondContact NE1-OG1 3.28Å
35	G	78.5	Confident	58.5	Low	1 Å²	1	54.3 Å²	54.3	1%	0.01	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-54.8	-14.9	177	0	0	0	0	0	116	R32 W33 V37 N38 P109	R32-G35 PolarHBondContact O-N 3.32Å; W33-G35 PolarHBondContact O-N 2.87Å; G35-V37 PolarHBondContact O-N 3.45Å; G35-V37 VanDerWaalsContact O-N 3.14Å; G35-N38 PolarHBondContact O-N 2.79Å; G35-P109 PolarHBondContact N-O 3.28Å
36	I	78.8	Confident	59.4	Low	6 Å²	6	54.2 Å²	54.2	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-53.2	-32.7	173.5	-65.9	164.1	0	0	0	112.1	W33 W34 N38 V39 A40 L63 L78 A82 F183	W33-I36 HydrophobicContact CE3-CD1 4.44Å; W33-I36 VanDerWaalsContact O-CD1 3.28Å; W33-I36 WeakPolarHBondContact O-CD1 3.24Å; W33-I36 WeakPolarHBondContact O-CG1 3.34Å; W33-I36 PolarHBondContact O-N 2.9Å; W34-I36 PolarHBondContact O-N 2.65Å; I36-N38 PolarHBondContact O-N 2.03Å; I36-V39 WeakPolarHBondContact O-CB 3.42Å; I36-V39 PolarHBondContact O-N 2.97Å; I36-A40 PolarHBondContact O-N 3.37Å; I36-L63 HydrophobicContact CD1-CD1 4.13Å; I36-L63 HydrophobicContact CD1-CD2 3.34Å; I36-L63 HydrophobicContact CD1-CG 4.09Å; I36-L63 HydrophobicContact CG1-CD2 4.01Å; I36-L63 HydrophobicContact CG1-CG 4.43Å; I36-L78 HydrophobicContact CD1-CD1 4.44Å; I36-L78 HydrophobicContact CG2-CD1 3.9Å; I36-A82 HydrophobicContact CG2-CB 4.25Å; I36-F183 HydrophobicContact CD1-CZ 4.23Å
37	V	74.2	Confident	59.9	Low	6 Å²	6	55.8 Å²	55.8	4%	0.036	32%	0.323	C	S	.	.	H	α-helix	trans	-53.7	-41.8	177.1	171.5	0	0	0	0	111.9	W34 G35 V39 S41 L85 H86 I89 I111	W34-V37 WeakPolarHBondContact O-CG2 2.98Å; W34-V37 PolarHBondContact O-N 2.94Å; G35-V37 PolarHBondContact O-N 3.45Å; G35-V37 VanDerWaalsContact O-N 3.14Å; V37-V39 VanDerWaalsContact C-N 3.25Å; V37-V39 PolarHBondContact O-N 2.98Å; V37-S41 PolarHBondContact O-N 3.16Å; V37-L85 HydrophobicContact CG2-CB 3.24Å; V37-L85 HydrophobicContact CG2-CD1 3.66Å; V37-L85 HydrophobicContact CG2-CG 4.1Å; V37-H86 WeakPolarHBondContact CG1-CE1 3.37Å; V37-H86 PolarHBondContact O-NE2 3.06Å; V37-I89 HydrophobicContact CB-CD1 4.42Å; V37-I89 HydrophobicContact CG1-CD1 3.97Å; V37-I89 HydrophobicContact CG2-CD1 3.96Å; V37-I111 HydrophobicContact CB-CD1 3.73Å; V37-I111 HydrophobicContact CG1-CD1 4.28Å; V37-I111 HydrophobicContact CG2-CD1 4.11Å
38	N	71.2	Confident	59.9	Low	42 Å²	42	56.4 Å²	56.4	23%	0.225	32%	0.322	C	S	.	.	H	α-helix	trans	-74.2	-21.7	-177.6	-62.1	-21.3	0	0	0	111.9	G35 I36 S42 Y107 S108	G35-N38 PolarHBondContact O-N 2.79Å; I36-N38 PolarHBondContact O-N 2.03Å; N38-S42 PolarHBondContact O-OG 2.04Å; N38-Y107 VanDerWaalsContact ND2-C 3.33Å; N38-Y107 PolarHBondContact ND2-O 2.9Å; N38-Y107 VanDerWaalsContact ND2-O 3.07Å; N38-S108 PolarHBondContact ND2-O 3.25Å
39	V	63.3	Low	59.7	Low	37 Å²	37	57.3 Å²	57.3	22%	0.224	33%	0.334	C	S	.	.	H	α-helix	trans	-80.6	-46.7	179.4	-177.2	0	0	0	0	110.4	I36 V37 S41 S42 S43 S59	I36-V39 WeakPolarHBondContact O-CB 3.42Å; I36-V39 PolarHBondContact O-N 2.97Å; V37-V39 VanDerWaalsContact C-N 3.25Å; V37-V39 PolarHBondContact O-N 2.98Å; V39-S41 VanDerWaalsContact C-N 3.3Å; V39-S41 PolarHBondContact O-N 2.87Å; V39-S42 PolarHBondContact O-N 3.25Å; V39-S42 VanDerWaalsContact O-N 3.16Å; V39-S43 PolarHBondContact O-OG 2.84Å; V39-S43 VanDerWaalsContact O-OG 3.12Å; V39-S59 VanDerWaalsContact CG1-CB 3.44Å; V39-S59 VanDerWaalsContact CG1-OG 3.26Å; V39-S59 WeakPolarHBondContact CG1-OG 3.07Å
40	A	55.8	Low	59.2	Low	24 Å²	24	63 Å²	63	20%	0.198	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-30.8	179.9	0	0	0	0	0	112.7	I36 S42 L46 A82	I36-A40 PolarHBondContact O-N 3.37Å; A40-S42 VanDerWaalsContact C-N 3.27Å; A40-S42 PolarHBondContact O-N 2.76Å; A40-L46 HydrophobicContact CB-CD1 4.27Å; A40-A82 HydrophobicContact CB-CB 3.45Å; A40-A82 VanDerWaalsContact CB-CB 3.45Å
41	S	51.3	Low	58.7	Low	90 Å²	90	67.9 Å²	67.9	63%	0.629	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.4	175.5	-169	0	0	0	0	114.1	V37 V39	V37-S41 PolarHBondContact O-N 3.16Å; V39-S41 VanDerWaalsContact C-N 3.3Å; V39-S41 PolarHBondContact O-N 2.87Å
42	S	46.2	Very low	57.6	Low	102 Å²	102	72.7 Å²	72.7	71%	0.713	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-1.5	-169.8	-57.4	0	0	0	0	113.6	N38 V39 A40	N38-S42 PolarHBondContact O-OG 2.04Å; V39-S42 PolarHBondContact O-N 3.25Å; V39-S42 VanDerWaalsContact O-N 3.16Å; A40-S42 VanDerWaalsContact C-N 3.27Å; A40-S42 PolarHBondContact O-N 2.76Å
43	S	45.7	Very low	56.1	Low	33 Å²	33	76.1 Å²	76.1	23%	0.231	44%	0.44	C	S	.	.			trans	-145.7	126.3	-168.7	52.8	0	0	0	0	114.9	V39 L45	V39-S43 PolarHBondContact O-OG 2.84Å; V39-S43 VanDerWaalsContact O-OG 3.12Å; S43-L45 PolarHBondContact O-N 2.78Å
44	N	44.9	Very low	54.6	Low	160 Å²	160	79.8 Å²	79.8	86%	0.856	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-67.9	12.9	160.3	-73.9	-41.8	0	0	0	112.6	L46 T47	N44-L46 VanDerWaalsContact C-N 3.26Å; N44-L46 PolarHBondContact O-N 2.84Å; N44-T47 PolarHBondContact O-OG1 2.86Å
45	L	45.7	Very low	52.9	Low	119 Å²	119	84.1 Å²	84.1	62%	0.623	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-77.2	-3.6	-173.2	-85.2	154.4	0	0	0	114.2	S43	S43-L45 PolarHBondContact O-N 2.78Å
46	L	48.7	Very low	51.4	Low	55 Å²	55	91.3 Å²	91.3	29%	0.288	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-100.2	3	-171.8	-64	173.3	0	0	0	114.2	A40 N44 L54	A40-L46 HydrophobicContact CB-CD1 4.27Å; N44-L46 VanDerWaalsContact C-N 3.26Å; N44-L46 PolarHBondContact O-N 2.84Å; L46-L54 HydrophobicContact CD2-CD1 4.5Å; L46-L54 HydrophobicContact CD2-CD2 4.12Å
47	T	44.2	Very low	50.3	Low	130 Å²	130	93.7 Å²	93.7	80%	0.798	54%	0.536	S	S	*	.	S	Bend	trans	-91.7	-4	-179.7	53.4	0	0	0	0	114.4	N44	N44-T47 PolarHBondContact O-OG1 2.86Å
48	N	40.6	Very low	49.5	Very low	133 Å²	133	98.8 Å²	98.8	71%	0.711	57%	0.569	S	S	*	*			trans	-127.9	82.5	179.4	-151.5	-14.4	0	0	0	111.4	K50	N48-K50 VanDerWaalsContact C-N 3.28Å; N48-K50 PolarHBondContact O-N 3Å
49	S	46.5	Very low	48.7	Very low	96 Å²	96	97.7 Å²	97.7	67%	0.671	57%	0.565	S	S	*	*			trans	-71.3	79.9	173.2	50.6	0	0	0	0	111
50	K	42.4	Very low	48.6	Very low	171 Å²	171	96.9 Å²	96.9	74%	0.743	56%	0.559	S	S	*	*			trans	-119.8	76.1	152	-71.1	-168	-179.9	-177.5	0	109.4	N48 V52	N48-K50 VanDerWaalsContact C-N 3.28Å; N48-K50 PolarHBondContact O-N 3Å; K50-V52 VanDerWaalsContact C-N 3.27Å; K50-V52 PolarHBondContact O-N 3.15Å
51	S	47.3	Very low	49	Very low	116 Å²	116	99.1 Å²	99.1	81%	0.811	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.8	-6.3	146.1	53	0	0	0	0	123.5
52	V	43.6	Very low	50.1	Low	103 Å²	103	96 Å²	96	62%	0.624	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	-28.6	-168.4	-175.1	0	0	0	0	115.1	K50	K50-V52 VanDerWaalsContact C-N 3.27Å; K50-V52 PolarHBondContact O-N 3.15Å
53	Q	45.9	Very low	51.8	Low	168 Å²	168	91.4 Å²	91.4	79%	0.785	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-82.2	-18.1	-173.8	-86.5	178.6	-20.4	0	0	116.1	V55	Q53-V55 VanDerWaalsContact C-N 3.29Å; Q53-V55 PolarHBondContact O-N 3.19Å
54	L	49.9	Very low	53.7	Low	79 Å²	79	90.6 Å²	90.6	41%	0.414	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-70.7	-22.6	178.2	-85.8	156	0	0	0	113.3	L46 L56 L60 L78	L46-L54 HydrophobicContact CD2-CD1 4.5Å; L46-L54 HydrophobicContact CD2-CD2 4.12Å; L54-L56 PolarHBondContact O-N 3.07Å; L54-L60 WeakPolarHBondContact O-CD1 3.05Å; L54-L78 HydrophobicContact CD1-CD2 4.5Å; L54-L78 HydrophobicContact CD2-CD2 3.71Å
55	V	45.4	Very low	55.7	Low	96 Å²	96	93.1 Å²	93.1	58%	0.582	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-76.2	-22.6	-171.5	176.7	0	0	0	0	113.4	Q53	Q53-V55 VanDerWaalsContact C-N 3.29Å; Q53-V55 PolarHBondContact O-N 3.19Å
56	L	47.9	Very low	57.7	Low	152 Å²	152	94.4 Å²	94.4	80%	0.796	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-98.4	-2.9	-178.2	-72	163.3	0	0	0	113.3	L54 P58	L54-L56 PolarHBondContact O-N 3.07Å; L56-P58 VanDerWaalsContact O-CD 3.27Å; L56-P58 WeakPolarHBondContact O-CD 3.25Å
57	D	56.4	Low	59.7	Low	55 Å²	55	91.9 Å²	91.9	29%	0.294	50%	0.496	S	S	.	.			trans	-71	119.4	-179.6	-171.1	-10.5	0	0	0	110.2	S59 L60	D57-S59 VanDerWaalsContact CG-CB 3.49Å; D57-S59 PolarHBondContact O-N 2.88Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 3.3Å; D57-S59 PolarHBondContact OD1-OG 2.95Å; D57-S59 VanDerWaalsContact OD1-OG 3.1Å; D57-S59 WeakPolarHBondContact OD2-CB 3.34Å; D57-S59 PolarHBondContact OD2-OG 3.01Å; D57-L60 PolarHBondContact O-N 2.89Å
58	P	55.9	Low	61.7	Low	113 Å²	113	90.6 Å²	90.6	73%	0.734	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-51.2	-21.7	174	-26.1	34.8	0	0	0	113.5	L56 L60 A61	L56-P58 VanDerWaalsContact O-CD 3.27Å; L56-P58 WeakPolarHBondContact O-CD 3.25Å; P58-L60 PolarHBondContact O-N 3.4Å; P58-A61 WeakPolarHBondContact O-CB 3.03Å; P58-A61 PolarHBondContact O-N 3.03Å
59	S	55.2	Low	64	Low	20 Å²	20	91.5 Å²	91.5	14%	0.14	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-64	-31.8	177.3	80.6	0	0	0	0	114.5	V39 D57 A61	V39-S59 VanDerWaalsContact CG1-CB 3.44Å; V39-S59 VanDerWaalsContact CG1-OG 3.26Å; V39-S59 WeakPolarHBondContact CG1-OG 3.07Å; D57-S59 VanDerWaalsContact CG-CB 3.49Å; D57-S59 PolarHBondContact O-N 2.88Å; D57-S59 WeakPolarHBondContact OD1-CB 3.48Å; D57-S59 PolarHBondContact OD1-N 3.3Å; D57-S59 PolarHBondContact OD1-OG 2.95Å; D57-S59 VanDerWaalsContact OD1-OG 3.1Å; D57-S59 WeakPolarHBondContact OD2-CB 3.34Å; D57-S59 PolarHBondContact OD2-OG 3.01Å; S59-A61 PolarHBondContact O-N 3.08Å
60	L	61.9	Low	66.2	Low	20 Å²	20	87.3 Å²	87.3	11%	0.105	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-80.1	-2.2	176.3	-62.7	-171	0	0	0	113.2	L54 D57 P58 L62 L63 L78	L54-L60 WeakPolarHBondContact O-CD1 3.05Å; D57-L60 PolarHBondContact O-N 2.89Å; P58-L60 PolarHBondContact O-N 3.4Å; L60-L62 PolarHBondContact O-N 3.06Å; L60-L63 HydrophobicContact CD2-CD1 3.76Å; L60-L63 WeakPolarHBondContact O-CB 3.08Å; L60-L63 PolarHBondContact O-N 2.89Å; L60-L78 HydrophobicContact CD2-CD2 4.32Å
61	A	64.1	Low	68.4	Low	71 Å²	71	80.3 Å²	80.3	59%	0.587	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-62.2	-19.2	171.6	0	0	0	0	0	112.4	P58 S59 L63	P58-A61 WeakPolarHBondContact O-CB 3.03Å; P58-A61 PolarHBondContact O-N 3.03Å; S59-A61 PolarHBondContact O-N 3.08Å; A61-L63 PolarHBondContact O-N 2.84Å
62	L	74.3	Confident	70.3	Confident	24 Å²	24	82.8 Å²	82.8	13%	0.126	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-70.4	-20.1	174.8	-59.8	178.6	0	0	0	113.3	L60 P109	L60-L62 PolarHBondContact O-N 3.06Å; L62-P109 HydrophobicContact CD1-CB 3.87Å; L62-P109 HydrophobicContact CD1-CG 4.23Å; L62-P109 HydrophobicContact CD2-CB 3.61Å; L62-P109 HydrophobicContact CD2-CG 4Å; L62-P109 HydrophobicContact CG-CB 4.4Å
63	L	81.7	Confident	72.5	Confident	6 Å²	6	82.7 Å²	82.7	3%	0.031	40%	0.395	C	S	.	.	S	Bend	trans	-91.4	142.3	-175	-66.7	-177	0	0	0	113.3	W33 I36 L60 A61 Q67 R68 I71 F183	W33-L63 HydrophobicContact CB-CD2 3.72Å; I36-L63 HydrophobicContact CD1-CD1 4.13Å; I36-L63 HydrophobicContact CD1-CD2 3.34Å; I36-L63 HydrophobicContact CD1-CG 4.09Å; I36-L63 HydrophobicContact CG1-CD2 4.01Å; I36-L63 HydrophobicContact CG1-CG 4.43Å; L60-L63 HydrophobicContact CD2-CD1 3.76Å; L60-L63 WeakPolarHBondContact O-CB 3.08Å; L60-L63 PolarHBondContact O-N 2.89Å; A61-L63 PolarHBondContact O-N 2.84Å; L63-Q67 HydrophobicContact CB-CB 4.14Å; L63-Q67 HydrophobicContact CD2-CB 4.21Å; L63-R68 HydrophobicContact CB-CG 3.77Å; L63-R68 HydrophobicContact CD1-CG 4.24Å; L63-R68 PolarHBondContact O-NE 3.28Å; L63-I71 HydrophobicContact CD1-CD1 3.32Å; L63-F183 HydrophobicContact CD2-CZ 4.13Å
64	S	85.5	Confident	74.6	Confident	15 Å²	15	75.6 Å²	75.6	11%	0.105	36%	0.362	C	S	.	.			trans	-62.6	156.3	171.8	91.5	0	0	0	0	111.2	R66 Q67 R68	S64-R66 PolarHBondContact O-N 2.64Å; S64-R66 PolarHBondContact OG-N 2.7Å; S64-Q67 PolarHBondContact O-N 3.45Å; S64-Q67 WeakPolarHBondContact OG-CG 3.33Å; S64-Q67 PolarHBondContact OG-N 3.35Å; S64-Q67 VanDerWaalsContact OG-N 3.07Å; S64-R68 PolarHBondContact O-N 2.89Å
65	R	86.3	Confident	76.4	Confident	214 Å²	214	74.2 Å²	74.2	81%	0.808	36%	0.359	S	S	*	.	H	α-helix	trans	-56.6	-34.5	174.6	-69.2	-177.3	-178.6	178.1	-0.4	111.7	R69	R65-R69 PolarHBondContact O-N 3.32Å; R65-R69 VanDerWaalsContact O-N 3.14Å
66	R	88.6	Confident	78.3	Confident	145 Å²	145	71.5 Å²	71.5	55%	0.547	35%	0.349	S	S	.	.	H	α-helix	trans	-69.3	-46	177.4	-173	167.4	179.3	170	2.9	111.3	S64 R68 R69 L70	S64-R66 PolarHBondContact O-N 2.64Å; S64-R66 PolarHBondContact OG-N 2.7Å; R66-R68 PolarHBondContact O-N 2.94Å; R66-R69 WeakPolarHBondContact O-CB 3.27Å; R66-R69 PolarHBondContact O-N 2.83Å; R66-R69 VanDerWaalsContact O-N 3.08Å; R66-L70 PolarHBondContact O-N 2.91Å
67	Q	89.8	Confident	80.3	Confident	3 Å²	3	64.2 Å²	64.2	1%	0.014	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-44.6	175.7	-72.3	170.9	-38.8	0	0	111.9	L63 S64 R69 L70 I71 F183 S186	L63-Q67 HydrophobicContact CB-CB 4.14Å; L63-Q67 HydrophobicContact CD2-CB 4.21Å; S64-Q67 PolarHBondContact O-N 3.45Å; S64-Q67 WeakPolarHBondContact OG-CG 3.33Å; S64-Q67 PolarHBondContact OG-N 3.35Å; S64-Q67 VanDerWaalsContact OG-N 3.07Å; Q67-R69 VanDerWaalsContact C-N 3.28Å; Q67-R69 PolarHBondContact O-N 2Å; Q67-L70 PolarHBondContact O-N 3.36Å; Q67-I71 WeakPolarHBondContact O-CG1 3.43Å; Q67-I71 PolarHBondContact O-N 2.86Å; Q67-F183 HydrophobicContact CB-CD2 4.04Å; Q67-F183 HydrophobicContact CB-CE2 3.57Å; Q67-F183 HydrophobicContact CB-CZ 4.18Å; Q67-F183 HydrophobicContact CG-CD2 3.86Å; Q67-F183 HydrophobicContact CG-CE2 3.7Å; Q67-F183 HydrophobicContact CG-CG 4.37Å; Q67-F183 HydrophobicContact CG-CZ 4.09Å; Q67-F183 PolarHBondContact NE2-O 3.41Å; Q67-F183 VanDerWaalsContact NE2-O 3.09Å; Q67-S186 WeakPolarHBondContact CG-OG 3.28Å
68	R	87.4	Confident	81.8	Confident	103 Å²	103	62.5 Å²	62.5	39%	0.389	30%	0.302	S	S	.	.	H	α-helix	trans	-64	-30.4	175.4	-72.1	-172.9	-79.1	157.2	-9	113.5	L63 S64 R66 R72	L63-R68 HydrophobicContact CB-CG 3.77Å; L63-R68 HydrophobicContact CD1-CG 4.24Å; L63-R68 PolarHBondContact O-NE 3.28Å; S64-R68 PolarHBondContact O-N 2.89Å; R66-R68 PolarHBondContact O-N 2.94Å; R68-R72 WeakPolarHBondContact O-CG 3.01Å; R68-R72 PolarHBondContact O-N 3.25Å; R68-R72 PolarHBondContact O-NE 3.46Å
69	R	89.1	Confident	83.2	Confident	151 Å²	151	62.2 Å²	62.2	57%	0.57	29%	0.291	S	S	*	.	H	α-helix	trans	-69.1	-46.1	172.8	-177.4	-178.9	176.3	174.1	1.3	110.9	R65 R66 Q67 I71 R72 Q73	R65-R69 PolarHBondContact O-N 3.32Å; R65-R69 VanDerWaalsContact O-N 3.14Å; R66-R69 WeakPolarHBondContact O-CB 3.27Å; R66-R69 PolarHBondContact O-N 2.83Å; R66-R69 VanDerWaalsContact O-N 3.08Å; Q67-R69 VanDerWaalsContact C-N 3.28Å; Q67-R69 PolarHBondContact O-N 2Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-I71 PolarHBondContact O-N 2.66Å; R69-R72 PolarHBondContact O-N 3.1Å; R69-Q73 HydrophobicContact CG-CG 4.49Å; R69-Q73 WeakPolarHBondContact O-CG 3.22Å; R69-Q73 PolarHBondContact O-N 2.84Å
70	L	91.1	Very high	85	Confident	9 Å²	9	61.3 Å²	61.3	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-42.7	179	-69.7	169.9	0	0	0	112	R66 Q67 R72 Q73 N74 F179 E182 F183	R66-L70 PolarHBondContact O-N 2.91Å; Q67-L70 PolarHBondContact O-N 3.36Å; L70-R72 PolarHBondContact O-N 3.34Å; L70-Q73 PolarHBondContact O-N 3.45Å; L70-N74 PolarHBondContact O-N 3Å; L70-N74 PolarHBondContact O-ND2 3.04Å; L70-F179 HydrophobicContact CB-CE2 4.16Å; L70-F179 HydrophobicContact CB-CZ 4.46Å; L70-E182 HydrophobicContact CD1-CB 3.92Å; L70-E182 WeakPolarHBondContact CD1-O 3.35Å; L70-E182 HydrophobicContact CD2-CB 4.35Å; L70-E182 VanDerWaalsContact CD2-OE2 3.32Å; L70-E182 WeakPolarHBondContact CD2-OE2 3.5Å; L70-F183 HydrophobicContact CB-CD2 4.46Å; L70-F183 HydrophobicContact CD1-CB 4.09Å; L70-F183 HydrophobicContact CD1-CD2 4.23Å
71	I	88.7	Confident	86.4	Confident	23 Å²	23	60.4 Å²	60.4	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-42.2	176.2	-68.2	159.9	0	0	0	111.4	L63 Q67 R69 Q73 N74 I77 L78 I81 F183	L63-I71 HydrophobicContact CD1-CD1 3.32Å; Q67-I71 WeakPolarHBondContact O-CG1 3.43Å; Q67-I71 PolarHBondContact O-N 2.86Å; R69-I71 VanDerWaalsContact C-N 3.33Å; R69-I71 PolarHBondContact O-N 2.66Å; I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 2.89Å; I71-N74 CarbonylContact O-C 3.43Å; I71-N74 PolarHBondContact O-N 3.39Å; I71-N74 VanDerWaalsContact O-O 3.13Å; I71-I77 HydrophobicContact CB-CG2 4.32Å; I71-I77 HydrophobicContact CG1-CG2 4.14Å; I71-I77 HydrophobicContact CG2-CG2 4.38Å; I71-L78 HydrophobicContact CD1-CD1 4Å; I71-L78 HydrophobicContact CG2-CB 4.11Å; I71-I81 HydrophobicContact CG1-CD1 4.45Å; I71-F183 HydrophobicContact CD1-CE2 3.9Å; I71-F183 HydrophobicContact CD1-CZ 4.44Å; I71-F183 HydrophobicContact CG1-CE2 4.06Å
72	R	86.7	Confident	87.7	Confident	169 Å²	169	57.1 Å²	57.1	64%	0.638	25%	0.253	S	S	*	.	H	α-helix	trans	-65.7	-31.1	178.1	-75.7	-176.9	-65.5	162.6	0.9	113.4	R68 R69 L70 N74	R68-R72 WeakPolarHBondContact O-CG 3.01Å; R68-R72 PolarHBondContact O-N 3.25Å; R68-R72 PolarHBondContact O-NE 3.46Å; R69-R72 PolarHBondContact O-N 3.1Å; L70-R72 PolarHBondContact O-N 3.34Å; R72-N74 VanDerWaalsContact C-N 3.3Å
73	Q	90.1	Very high	88.5	Confident	100 Å²	100	57.8 Å²	57.8	47%	0.467	26%	0.262	S	S	.	.	H	α-helix	trans	-79.2	-14.5	179.1	-72.2	174.2	-33.8	0	0	113.1	R69 L70 I71	R69-Q73 HydrophobicContact CG-CG 4.49Å; R69-Q73 WeakPolarHBondContact O-CG 3.22Å; R69-Q73 PolarHBondContact O-N 2.84Å; L70-Q73 PolarHBondContact O-N 3.45Å; I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 2.89Å
74	N	89.9	Confident	89.1	Confident	19 Å²	19	57.6 Å²	57.6	10%	0.102	26%	0.261	C	S	.	.	S	Bend	trans	-132	83	-174.9	-60.2	-89.4	0	0	0	109.3	L70 I71 R72 I77 S149	L70-N74 PolarHBondContact O-N 3Å; L70-N74 PolarHBondContact O-ND2 3.04Å; I71-N74 CarbonylContact O-C 3.43Å; I71-N74 PolarHBondContact O-N 3.39Å; I71-N74 VanDerWaalsContact O-O 3.13Å; R72-N74 VanDerWaalsContact C-N 3.3Å; N74-I77 HydrophobicContact CB-CB 3.82Å; N74-I77 HydrophobicContact CB-CG1 4.27Å; N74-I77 HydrophobicContact CB-CG2 3.89Å; N74-I77 WeakPolarHBondContact O-CB 3.36Å; N74-I77 WeakPolarHBondContact O-CG2 3.14Å; N74-I77 PolarHBondContact O-N 3.43Å; N74-S149 WeakPolarHBondContact CB-OG 3.34Å; N74-S149 VanDerWaalsContact CG-OG 3.32Å; N74-S149 WeakPolarHBondContact OD1-CB 3.39Å; N74-S149 PolarHBondContact OD1-OG 3.13Å
75	P	88.4	Confident	89.5	Confident	51 Å²	51	57 Å²	57	33%	0.331	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	140.1	175.8	-24.4	35	0	0	0	111.8	I77 E148	P75-I77 VanDerWaalsContact C-N 3.25Å; P75-I77 PolarHBondContact O-N 3.2Å; P75-E148 HydrophobicContact CB-CB 4.46Å; P75-E148 HydrophobicContact CB-CG 4.3Å; P75-E148 PolarHBondContact O-N 2.96Å
76	G	85.6	Confident	89.8	Confident	38 Å²	38	50.2 Å²	50.2	39%	0.392	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	-17.9	-176.4	0	0	0	0	0	115.4	L78 H79	G76-L78 VanDerWaalsContact C-N 3.29Å; G76-L78 PolarHBondContact O-N 3.24Å; G76-H79 PolarHBondContact O-N 3.01Å
77	I	90.1	Very high	90.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-30.5	-173.2	-156.2	65.2	0	0	0	114	I71 N74 P75 H79 A80 I81 V138 V147 F179	I71-I77 HydrophobicContact CB-CG2 4.32Å; I71-I77 HydrophobicContact CG1-CG2 4.14Å; I71-I77 HydrophobicContact CG2-CG2 4.38Å; N74-I77 HydrophobicContact CB-CB 3.82Å; N74-I77 HydrophobicContact CB-CG1 4.27Å; N74-I77 HydrophobicContact CB-CG2 3.89Å; N74-I77 WeakPolarHBondContact O-CB 3.36Å; N74-I77 WeakPolarHBondContact O-CG2 3.14Å; N74-I77 PolarHBondContact O-N 3.43Å; P75-I77 VanDerWaalsContact C-N 3.25Å; P75-I77 PolarHBondContact O-N 3.2Å; I77-H79 PolarHBondContact O-N 3.12Å; I77-A80 WeakPolarHBondContact O-CB 3.46Å; I77-A80 PolarHBondContact O-N 3.05Å; I77-I81 HydrophobicContact CG1-CD1 4.29Å; I77-I81 HydrophobicContact CG1-CG1 4.43Å; I77-I81 HydrophobicContact CG2-CD1 4.31Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.47Å; I77-I81 PolarHBondContact O-N 2.62Å; I77-V138 HydrophobicContact CD1-CB 4.22Å; I77-V138 HydrophobicContact CD1-CG1 3.61Å; I77-V138 HydrophobicContact CD1-CG2 3.69Å; I77-V138 HydrophobicContact CG1-CG2 4.35Å; I77-V147 HydrophobicContact CD1-CG1 4Å; I77-V147 HydrophobicContact CD1-CG2 3.88Å; I77-F179 HydrophobicContact CB-CZ 4.39Å; I77-F179 HydrophobicContact CD1-CD1 4.42Å; I77-F179 HydrophobicContact CD1-CE1 4.28Å; I77-F179 HydrophobicContact CD1-CE2 4.43Å; I77-F179 HydrophobicContact CD1-CZ 4.3Å; I77-F179 HydrophobicContact CG1-CD1 4.27Å; I77-F179 HydrophobicContact CG1-CD2 4.35Å; I77-F179 HydrophobicContact CG1-CE1 3.66Å; I77-F179 HydrophobicContact CG1-CE2 3.74Å; I77-F179 HydrophobicContact CG1-CZ 3.38Å; I77-F179 HydrophobicContact CG2-CE2 4.48Å; I77-F179 HydrophobicContact CG2-CZ 4.08Å
78	L	88.1	Confident	90.5	Very high	18 Å²	18	46.1 Å²	46.1	9%	0.094	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-36.8	-177.9	-178.9	60.8	0	0	0	111.4	I36 L54 L60 I71 G76 I81 A82	I36-L78 HydrophobicContact CD1-CD1 4.44Å; I36-L78 HydrophobicContact CG2-CD1 3.9Å; L54-L78 HydrophobicContact CD1-CD2 4.5Å; L54-L78 HydrophobicContact CD2-CD2 3.71Å; L60-L78 HydrophobicContact CD2-CD2 4.32Å; I71-L78 HydrophobicContact CD1-CD1 4Å; I71-L78 HydrophobicContact CG2-CB 4.11Å; G76-L78 VanDerWaalsContact C-N 3.29Å; G76-L78 PolarHBondContact O-N 3.24Å; L78-I81 PolarHBondContact O-N 3Å; L78-A82 WeakPolarHBondContact O-CB 3.45Å; L78-A82 PolarHBondContact O-N 3.3Å
79	H	85.8	Confident	90.8	Very high	108 Å²	108	42 Å²	42	50%	0.5	21%	0.211	S	C	.	.	H	α-helix	trans	-65.2	-45.3	175.9	-176.2	71.3	0	0	0	111.1	G76 I77 I81 A82 A83	G76-H79 PolarHBondContact O-N 3.01Å; I77-H79 PolarHBondContact O-N 3.12Å; H79-I81 PolarHBondContact O-N 2.73Å; H79-A82 PolarHBondContact O-N 3.32Å; H79-A83 WeakPolarHBondContact O-CB 3.2Å; H79-A83 PolarHBondContact O-N 3.09Å
80	A	91.7	Very high	91.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-43.9	176.5	0	0	0	0	0	112.1	I77 A82 A83 G84 A137 V138 S141	I77-A80 WeakPolarHBondContact O-CB 3.46Å; I77-A80 PolarHBondContact O-N 3.05Å; A80-A82 PolarHBondContact O-N 2.62Å; A80-A83 PolarHBondContact O-N 3.33Å; A80-G84 PolarHBondContact O-N 3.21Å; A80-A137 WeakPolarHBondContact O-CB 3.41Å; A80-V138 HydrophobicContact CB-CG2 4.17Å; A80-S141 WeakPolarHBondContact CB-OG 3.16Å
81	I	92.7	Very high	91.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-47.5	177	-64.9	166.2	0	0	0	110.7	W33 I71 I77 L78 H79 G84 L85 V134 V138 F179 F183	W33-I81 HydrophobicContact CZ3-CG2 4.34Å; I71-I81 HydrophobicContact CG1-CD1 4.45Å; I77-I81 HydrophobicContact CG1-CD1 4.29Å; I77-I81 HydrophobicContact CG1-CG1 4.43Å; I77-I81 HydrophobicContact CG2-CD1 4.31Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.47Å; I77-I81 PolarHBondContact O-N 2.62Å; L78-I81 PolarHBondContact O-N 3Å; H79-I81 PolarHBondContact O-N 2.73Å; I81-G84 PolarHBondContact O-N 3.47Å; I81-L85 HydrophobicContact CG2-CD1 4.33Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 3.35Å; I81-V134 HydrophobicContact CG1-CG1 4.39Å; I81-V134 HydrophobicContact CG2-CG2 4.28Å; I81-V138 HydrophobicContact CG1-CG2 4.42Å; I81-F179 HydrophobicContact CD1-CE1 3.66Å; I81-F179 HydrophobicContact CD1-CZ 3.86Å; I81-F179 HydrophobicContact CG1-CE1 3.97Å; I81-F183 HydrophobicContact CD1-CD1 4.36Å; I81-F183 HydrophobicContact CD1-CD2 4.12Å; I81-F183 HydrophobicContact CD1-CE1 4.09Å; I81-F183 HydrophobicContact CD1-CE2 3.84Å; I81-F183 HydrophobicContact CD1-CG 4.37Å; I81-F183 HydrophobicContact CD1-CZ 3.82Å; I81-F183 HydrophobicContact CG2-CE1 3.99Å; I81-F183 HydrophobicContact CG2-CZ 4.31Å
82	A	89.8	Confident	92	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-47.6	179.7	0	0	0	0	0	111.6	I36 A40 L78 H79 A80 G84 L85 H86	I36-A82 HydrophobicContact CG2-CB 4.25Å; A40-A82 HydrophobicContact CB-CB 3.45Å; A40-A82 VanDerWaalsContact CB-CB 3.45Å; L78-A82 WeakPolarHBondContact O-CB 3.45Å; L78-A82 PolarHBondContact O-N 3.3Å; H79-A82 PolarHBondContact O-N 3.32Å; A80-A82 PolarHBondContact O-N 2.62Å; A82-G84 VanDerWaalsContact C-N 3.32Å; A82-G84 PolarHBondContact O-N 2.93Å; A82-L85 PolarHBondContact O-N 2.96Å; A82-H86 PolarHBondContact O-CD2 2.99Å; A82-H86 PolarHBondContact O-N 3.03Å
83	A	91	Very high	92.4	Very high	38 Å²	38	37.7 Å²	37.7	31%	0.314	20%	0.2	S	C	.	.	H	α-helix	trans	-59.4	-41.7	176.6	0	0	0	0	0	112.2	H79 A80 H86 T87	H79-A83 WeakPolarHBondContact O-CB 3.2Å; H79-A83 PolarHBondContact O-N 3.09Å; A80-A83 PolarHBondContact O-N 3.33Å; A83-H86 PolarHBondContact O-N 3.34Å; A83-T87 WeakPolarHBondContact O-CB 3.22Å; A83-T87 PolarHBondContact O-N 2.68Å; A83-T87 PolarHBondContact O-OG1 2.04Å
84	G	95.1	Very high	92.8	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-42.2	175.7	0	0	0	0	0	113.1	A80 I81 A82 T87 A88 G133	A80-G84 PolarHBondContact O-N 3.21Å; I81-G84 PolarHBondContact O-N 3.47Å; A82-G84 VanDerWaalsContact C-N 3.32Å; A82-G84 PolarHBondContact O-N 2.93Å; G84-T87 PolarHBondContact O-N 2.73Å; G84-A88 WeakPolarHBondContact O-CB 3.38Å; G84-A88 PolarHBondContact O-N 2.88Å; G84-G133 VanDerWaalsContact CA-O 3.31Å; G84-G133 WeakPolarHBondContact CA-O 3.36Å
85	L	92.9	Very high	93.2	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-41.5	175.9	-73.7	177.4	0	0	0	112.9	W33 V37 I81 A82 T87 A88 I89 T130 V134	W33-L85 HydrophobicContact CE3-CD1 4.08Å; W33-L85 HydrophobicContact CH2-CD1 4.45Å; W33-L85 HydrophobicContact CH2-CD2 3.72Å; W33-L85 HydrophobicContact CH2-CG 4.46Å; W33-L85 HydrophobicContact CZ3-CD1 3.62Å; W33-L85 HydrophobicContact CZ3-CD2 3.74Å; W33-L85 HydrophobicContact CZ3-CG 4.01Å; V37-L85 HydrophobicContact CG2-CB 3.24Å; V37-L85 HydrophobicContact CG2-CD1 3.66Å; V37-L85 HydrophobicContact CG2-CG 4.1Å; I81-L85 HydrophobicContact CG2-CD1 4.33Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 3.35Å; A82-L85 PolarHBondContact O-N 2.96Å; L85-T87 VanDerWaalsContact C-N 3.28Å; L85-T87 PolarHBondContact O-N 2.84Å; L85-A88 PolarHBondContact O-N 3.36Å; L85-I89 WeakPolarHBondContact O-CB 3.41Å; L85-I89 WeakPolarHBondContact O-CG1 3.34Å; L85-I89 PolarHBondContact O-N 3.09Å; L85-T130 HydrophobicContact CD2-CG2 4.13Å; L85-V134 HydrophobicContact CD2-CG2 4.36Å; L85-V134 HydrophobicContact CG-CG2 4.46Å
86	H	92.8	Very high	93.6	Very high	73 Å²	73	35.6 Å²	35.6	34%	0.338	18%	0.181	S	C	.	.	H	α-helix	trans	-57.7	-45.1	173.8	-84.4	-76.2	0	0	0	111.3	V37 A82 A83 I89 K90	V37-H86 WeakPolarHBondContact CG1-CE1 3.37Å; V37-H86 PolarHBondContact O-NE2 3.06Å; A82-H86 PolarHBondContact O-CD2 2.99Å; A82-H86 PolarHBondContact O-N 3.03Å; A83-H86 PolarHBondContact O-N 3.34Å; H86-I89 PolarHBondContact O-N 2.89Å; H86-K90 WeakPolarHBondContact O-CB 3.21Å; H86-K90 PolarHBondContact O-N 3.42Å
87	T	95.9	Very high	94	Very high	61 Å²	61	39 Å²	39	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-63.6	-44.7	177.8	-54	0	0	0	0	110.9	A83 G84 L85 I89 K90 E91 F238	A83-T87 WeakPolarHBondContact O-CB 3.22Å; A83-T87 PolarHBondContact O-N 2.68Å; A83-T87 PolarHBondContact O-OG1 2.04Å; G84-T87 PolarHBondContact O-N 2.73Å; L85-T87 VanDerWaalsContact C-N 3.28Å; L85-T87 PolarHBondContact O-N 2.84Å; T87-I89 PolarHBondContact O-N 3.19Å; T87-K90 PolarHBondContact O-N 2.79Å; T87-E91 WeakPolarHBondContact O-CB 3.31Å; T87-E91 PolarHBondContact O-N 2.98Å; T87-F238 HydrophobicContact CG2-CB 3.86Å; T87-F238 HydrophobicContact CG2-CD1 3.53Å; T87-F238 HydrophobicContact CG2-CD2 4.29Å; T87-F238 HydrophobicContact CG2-CE1 4.14Å; T87-F238 HydrophobicContact CG2-CG 3.6Å
88	A	97.1	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.4	-43.6	176	0	0	0	0	0	113.2	G84 L85 E91 C92 I129 T130 F238	G84-A88 WeakPolarHBondContact O-CB 3.38Å; G84-A88 PolarHBondContact O-N 2.88Å; L85-A88 PolarHBondContact O-N 3.36Å; A88-E91 PolarHBondContact O-N 2.89Å; A88-C92 WeakPolarHBondContact O-CB 3.36Å; A88-C92 PolarHBondContact O-N 2.87Å; A88-I129 HydrophobicContact CB-CG1 4.21Å; A88-I129 WeakPolarHBondContact CB-O 3.36Å; A88-T130 HydrophobicContact CB-CG2 4.47Å; A88-F238 HydrophobicContact CB-CE1 4.42Å; A88-F238 HydrophobicContact CB-CZ 4.23Å
89	I	95.1	Very high	94.4	Very high	17 Å²	17	45 Å²	45	9%	0.087	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-45.7	178.2	-72.9	164.7	0	0	0	110.9	V37 L85 H86 T87 E91 C92 K93 T105 I111 F112	V37-I89 HydrophobicContact CB-CD1 4.42Å; V37-I89 HydrophobicContact CG1-CD1 3.97Å; V37-I89 HydrophobicContact CG2-CD1 3.96Å; L85-I89 WeakPolarHBondContact O-CB 3.41Å; L85-I89 WeakPolarHBondContact O-CG1 3.34Å; L85-I89 PolarHBondContact O-N 3.09Å; H86-I89 PolarHBondContact O-N 2.89Å; T87-I89 PolarHBondContact O-N 3.19Å; I89-E91 VanDerWaalsContact C-N 3.27Å; I89-E91 PolarHBondContact O-N 2.87Å; I89-C92 PolarHBondContact O-N 2.89Å; I89-K93 HydrophobicContact CG2-CD 4.47Å; I89-K93 WeakPolarHBondContact O-CG 2.96Å; I89-K93 PolarHBondContact O-N 2.89Å; I89-T105 HydrophobicContact CG2-CG2 3.7Å; I89-I111 HydrophobicContact CD1-CD1 4.19Å; I89-I111 HydrophobicContact CD1-CG2 4.04Å; I89-F112 HydrophobicContact CG1-CE1 4.29Å; I89-F112 HydrophobicContact CG1-CZ 3.75Å
90	K	96.4	Very high	94.8	Very high	163 Å²	163	44.6 Å²	44.6	71%	0.709	20%	0.202	S	C	*	.	H	α-helix	trans	-59.1	-43.1	177.2	-176.1	178.2	178.9	179.8	0	110.6	H86 T87 K93 W94	H86-K90 WeakPolarHBondContact O-CB 3.21Å; H86-K90 PolarHBondContact O-N 3.42Å; T87-K90 PolarHBondContact O-N 2.79Å; K90-K93 PolarHBondContact O-N 2.98Å; K90-W94 WeakPolarHBondContact O-CB 3.33Å; K90-W94 PolarHBondContact O-N 2.91Å
91	E	98.4	Very high	94.9	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-70.2	-38.8	178.6	-167.2	54.3	-143.5	0	0	112.2	T87 A88 I89 K93 W94 Q95 I129 F238 R239	T87-E91 WeakPolarHBondContact O-CB 3.31Å; T87-E91 PolarHBondContact O-N 2.98Å; A88-E91 PolarHBondContact O-N 2.89Å; I89-E91 VanDerWaalsContact C-N 3.27Å; I89-E91 PolarHBondContact O-N 2.87Å; E91-K93 PolarHBondContact O-N 3.18Å; E91-W94 WeakPolarHBondContact O-CB 3.39Å; E91-W94 PolarHBondContact O-N 3.49Å; E91-W94 VanDerWaalsContact O-N 3.13Å; E91-Q95 HydrophobicContact CG-CG 4.35Å; E91-Q95 WeakPolarHBondContact O-CB 3.22Å; E91-Q95 WeakPolarHBondContact O-CG 3.35Å; E91-Q95 PolarHBondContact O-N 2.85Å; E91-Q95 WeakPolarHBondContact OE1-CG 3.04Å; E91-Q95 PolarHBondContact OE1-NE2 3.28Å; E91-I129 HydrophobicContact CG-CD1 4.35Å; E91-F238 HydrophobicContact CB-CD1 3.75Å; E91-F238 HydrophobicContact CB-CE1 3.66Å; E91-F238 HydrophobicContact CG-CD1 3.88Å; E91-F238 HydrophobicContact CG-CE1 3.97Å; E91-R239 VanDerWaalsContact OE1-CD 3.29Å; E91-R239 WeakPolarHBondContact OE1-CD 3.49Å; E91-R239 IonicContact OE1-NE 3.84Å; E91-R239 PolarHBondContact OE1-NE 2.82Å; E91-R239 IonicContact OE2-CZ 3.04Å; E91-R239 IonicContact OE2-NE 2.66Å; E91-R239 PolarHBondContact OE2-NE 2.71Å; E91-R239 IonicContact OE2-NH2 3.89Å
92	C	97.9	Very high	95	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59.2	-46.6	173.7	-175.3	0	0	0	0	111.9	A88 I89 W94 Q95 F96 C103 F125 I129	A88-C92 WeakPolarHBondContact O-CB 3.36Å; A88-C92 PolarHBondContact O-N 2.87Å; I89-C92 PolarHBondContact O-N 2.89Å; C92-W94 VanDerWaalsContact C-N 3.3Å; C92-W94 PolarHBondContact O-N 3.04Å; C92-Q95 PolarHBondContact O-N 2.88Å; C92-F96 WeakPolarHBondContact O-CB 3.44Å; C92-F96 WeakPolarHBondContact O-CD2 3.34Å; C92-F96 PolarHBondContact O-N 3.22Å; C92-F96 VanDerWaalsContact O-N 3.1Å; C92-C103 HydrophobicContact CB-CB 3.98Å; C92-C103 WeakPolarHBondContact CB-SG 3.02Å; C92-C103 WeakPolarHBondContact SG-CB 3.47Å; C92-C103 CovalentContact SG-SG 2.04Å; C92-C103 PolarHBondContact SG-SG 3.36Å; C92-F125 HydrophobicContact CB-CE1 4.13Å; C92-I129 HydrophobicContact CB-CG2 4.37Å
93	K	96.8	Very high	95.2	Very high	88 Å²	88	47.9 Å²	47.9	38%	0.383	22%	0.219	S	C	.	.	H	α-helix	trans	-61.4	-40.4	173.6	-72.1	-179.7	178.4	-177.6	0	112	I89 K90 E91 R97 C103 T105	I89-K93 HydrophobicContact CG2-CD 4.47Å; I89-K93 WeakPolarHBondContact O-CG 2.96Å; I89-K93 PolarHBondContact O-N 2.89Å; K90-K93 PolarHBondContact O-N 2.98Å; E91-K93 PolarHBondContact O-N 3.18Å; K93-R97 WeakPolarHBondContact O-CA 3.28Å; K93-R97 WeakPolarHBondContact O-CB 3.37Å; K93-R97 PolarHBondContact O-N 3.45Å; K93-C103 HydrophobicContact CG-CB 4.26Å; K93-T105 WeakPolarHBondContact CE-OG1 3.41Å; K93-T105 PolarHBondContact NZ-OG1 3.49Å
94	W	97.4	Very high	95.2	Very high	100 Å²	100	47.4 Å²	47.4	38%	0.379	21%	0.212	S	C	.	.	H	α-helix	trans	-60.7	-53.6	176.7	177.6	-98.1	0	0	0	111.4	K90 E91 C92 F96 R97 R239	K90-W94 WeakPolarHBondContact O-CB 3.33Å; K90-W94 PolarHBondContact O-N 2.91Å; E91-W94 WeakPolarHBondContact O-CB 3.39Å; E91-W94 PolarHBondContact O-N 3.49Å; E91-W94 VanDerWaalsContact O-N 3.13Å; C92-W94 VanDerWaalsContact C-N 3.3Å; C92-W94 PolarHBondContact O-N 3.04Å; W94-F96 PolarHBondContact O-N 3.19Å; W94-R97 VanDerWaalsContact CE2-NH1 3.34Å; W94-R97 WeakPolarHBondContact O-CD 3.43Å; W94-R97 WeakPolarHBondContact O-CG 3.45Å; W94-R97 PolarHBondContact O-N 3.45Å; W94-R97 PolarHBondContact O-NH1 3.06Å; W94-R239 VanDerWaalsContact CD1-NE 3.29Å; W94-R239 VanDerWaalsContact CD2-NH2 3.3Å; W94-R239 VanDerWaalsContact CG-NH2 3.35Å; W94-R239 VanDerWaalsContact NE1-NH1 3.12Å
95	Q	97.9	Very high	94.9	Very high	24 Å²	24	49.5 Å²	49.5	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-31.6	-177.1	-69.3	-60.7	-18.6	0	0	112.8	E91 C92 F125 D243 K246	E91-Q95 HydrophobicContact CG-CG 4.35Å; E91-Q95 WeakPolarHBondContact O-CB 3.22Å; E91-Q95 WeakPolarHBondContact O-CG 3.35Å; E91-Q95 PolarHBondContact O-N 2.85Å; E91-Q95 WeakPolarHBondContact OE1-CG 3.04Å; E91-Q95 PolarHBondContact OE1-NE2 3.28Å; C92-Q95 PolarHBondContact O-N 2.88Å; Q95-F125 HydrophobicContact CB-CZ 4.27Å; Q95-F125 HydrophobicContact CG-CZ 4.26Å; Q95-D243 PolarHBondContact NE2-OD1 2.99Å; Q95-K246 HydrophobicContact CB-CB 4.5Å; Q95-K246 HydrophobicContact CB-CD 4.2Å; Q95-K246 HydrophobicContact CB-CG 4.43Å; Q95-K246 HydrophobicContact CG-CB 4.3Å
96	F	96.7	Very high	94.4	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-103.9	7.2	-176.6	-74.5	-91.6	0	0	0	114.8	C92 W94 N98 R99 W101 N102 C103 F125 K246 F249	C92-F96 WeakPolarHBondContact O-CB 3.44Å; C92-F96 WeakPolarHBondContact O-CD2 3.34Å; C92-F96 PolarHBondContact O-N 3.22Å; C92-F96 VanDerWaalsContact O-N 3.1Å; W94-F96 PolarHBondContact O-N 3.19Å; F96-N98 PolarHBondContact O-N 3.18Å; F96-R99 HydrophobicContact CD1-CB 3.98Å; F96-R99 HydrophobicContact CD1-CG 3.9Å; F96-R99 PolarHBondContact O-N 3.34Å; F96-W101 HydrophobicContact CB-CE3 4.23Å; F96-W101 HydrophobicContact CB-CZ3 4.32Å; F96-W101 WeakPolarHBondContact CB-O 3.42Å; F96-W101 AromaticContact CD1-CE3 3.39Å; F96-W101 HydrophobicContact CD1-CE3 3.39Å; F96-W101 AromaticContact CD1-CZ3 3.65Å; F96-W101 HydrophobicContact CD1-CZ3 3.65Å; F96-W101 HydrophobicContact CD2-CE3 4.32Å; F96-W101 AromaticContact CD2-CZ3 3.76Å; F96-W101 HydrophobicContact CD2-CZ3 3.76Å; F96-W101 AromaticContact CE1-CE3 3.71Å; F96-W101 HydrophobicContact CE1-CE3 3.71Å; F96-W101 AromaticContact CE1-CZ3 3.77Å; F96-W101 HydrophobicContact CE1-CZ3 3.77Å; F96-W101 AromaticContact CE2-CZ3 3.91Å; F96-W101 HydrophobicContact CE2-CZ3 3.91Å; F96-W101 AromaticContact CG-CE3 3.72Å; F96-W101 HydrophobicContact CG-CE3 3.72Å; F96-W101 AromaticContact CG-CZ3 3.62Å; F96-W101 HydrophobicContact CG-CZ3 3.62Å; F96-W101 HydrophobicContact CZ-CE3 4.31Å; F96-W101 AromaticContact CZ-CZ3 3.9Å; F96-W101 HydrophobicContact CZ-CZ3 3.9Å; F96-N102 WeakPolarHBondContact O-CA 3.27Å; F96-C103 HydrophobicContact CB-CB 4.4Å; F96-F125 HydrophobicContact CD2-CD1 4.32Å; F96-F125 HydrophobicContact CD2-CE1 4.14Å; F96-F125 AromaticContact CE2-CD1 3.48Å; F96-F125 HydrophobicContact CE2-CD1 3.48Å; F96-F125 VanDerWaalsContact CE2-CD1 3.48Å; F96-F125 HydrophobicContact CE2-CD2 4.09Å; F96-F125 AromaticContact CE2-CE1 3.56Å; F96-F125 HydrophobicContact CE2-CE1 3.56Å; F96-F125 HydrophobicContact CE2-CE2 4.13Å; F96-F125 AromaticContact CE2-CG 3.76Å; F96-F125 HydrophobicContact CE2-CG 3.76Å; F96-F125 AromaticContact CE2-CZ 3.89Å; F96-F125 HydrophobicContact CE2-CZ 3.89Å; F96-F125 HydrophobicContact CZ-CB 4.46Å; F96-F125 HydrophobicContact CZ-CD1 4.21Å; F96-F125 HydrophobicContact CZ-CD2 4.43Å; F96-F125 HydrophobicContact CZ-CG 4.1Å; F96-K246 HydrophobicContact CE2-CD 4.17Å; F96-K246 HydrophobicContact CZ-CD 4.21Å; F96-F249 HydrophobicContact CE1-CD1 4.25Å; F96-F249 AromaticContact CE1-CE1 3.68Å; F96-F249 HydrophobicContact CE1-CE1 3.68Å; F96-F249 AromaticContact CE1-CE2 3.96Å; F96-F249 HydrophobicContact CE1-CE2 3.96Å; F96-F249 AromaticContact CE1-CZ 3.52Å; F96-F249 HydrophobicContact CE1-CZ 3.52Å; F96-F249 AromaticContact CZ-CD1 3.94Å; F96-F249 HydrophobicContact CZ-CD1 3.94Å; F96-F249 AromaticContact CZ-CD2 3.91Å; F96-F249 HydrophobicContact CZ-CD2 3.91Å; F96-F249 AromaticContact CZ-CE1 3.83Å; F96-F249 HydrophobicContact CZ-CE1 3.83Å; F96-F249 AromaticContact CZ-CE2 3.74Å; F96-F249 HydrophobicContact CZ-CE2 3.74Å; F96-F249 AromaticContact CZ-CG 3.98Å; F96-F249 HydrophobicContact CZ-CG 3.98Å; F96-F249 AromaticContact CZ-CZ 3.72Å; F96-F249 HydrophobicContact CZ-CZ 3.72Å
97	R	94.6	Very high	93.7	Very high	109 Å²	109	59.4 Å²	59.4	41%	0.411	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-35.1	-177.2	67.2	-169.8	-178.8	-82.9	3.1	114.2	K93 W94 R313	K93-R97 WeakPolarHBondContact O-CA 3.28Å; K93-R97 WeakPolarHBondContact O-CB 3.37Å; K93-R97 PolarHBondContact O-N 3.45Å; W94-R97 VanDerWaalsContact CE2-NH1 3.34Å; W94-R97 WeakPolarHBondContact O-CD 3.43Å; W94-R97 WeakPolarHBondContact O-CG 3.45Å; W94-R97 PolarHBondContact O-N 3.45Å; W94-R97 PolarHBondContact O-NH1 3.06Å; R97-R313 PolarHBondContact O-NH2 3.1Å
98	N	91.6	Very high	92.8	Very high	71 Å²	71	59.4 Å²	59.4	38%	0.38	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	6.1	-176.8	-70.7	-5	0	0	0	113.7	F96 L322 D323	F96-N98 PolarHBondContact O-N 3.18Å; N98-L322 CarbonylContact O-C 3.48Å; N98-D323 HydrophobicContact CB-CB 3.88Å
99	R	94.2	Very high	91.6	Very high	73 Å²	73	62.1 Å²	62.1	28%	0.275	29%	0.288	S	S	.	.	S	Bend	trans	-100	155.6	177.5	-65.5	-69.9	-171.8	147.8	4.7	109.9	F96 W101 D250 R313	F96-R99 HydrophobicContact CD1-CB 3.98Å; F96-R99 HydrophobicContact CD1-CG 3.9Å; F96-R99 PolarHBondContact O-N 3.34Å; R99-W101 VanDerWaalsContact C-N 3.27Å; R99-W101 WeakPolarHBondContact CB-O 3.45Å; R99-W101 CarbonylContact O-C 3.55Å; R99-W101 PolarHBondContact O-N 3Å; R99-D250 IonicContact CZ-OD1 3.81Å; R99-D250 IonicContact NH2-OD1 2.88Å; R99-D250 PolarHBondContact NH2-OD1 3.12Å; R99-D250 IonicContact NH2-OD2 3.6Å; R99-R313 VanDerWaalsContact O-CZ 3.31Å; R99-R313 PolarHBondContact O-NH1 3.44Å; R99-R313 PolarHBondContact O-NH2 3.45Å
100	R	94.9	Very high	90.8	Very high	99 Å²	99	63.3 Å²	63.3	37%	0.374	30%	0.3	S	S	.	.	S	Bend	trans	-55.9	-40.2	175.9	-63	177.3	-175.5	158.8	1.8	112.6	F298 T310 R313 L327 L328	R100-F298 HydrophobicContact CB-CB 3.8Å; R100-T310 HydrophobicContact CB-CG2 3.91Å; R100-T310 HydrophobicContact CG-CG2 4.11Å; R100-R313 VanDerWaalsContact C-NH1 3.32Å; R100-R313 PolarHBondContact O-NH1 3.47Å; R100-L327 VanDerWaalsContact CZ-O 3.26Å; R100-L327 PolarHBondContact NE-O 3.43Å; R100-L327 PolarHBondContact NH2-O 3.02Å; R100-L328 HydrophobicContact CG-CD1 4.25Å
101	W	94.5	Very high	90.2	Very high	13 Å²	13	55.6 Å²	55.6	5%	0.049	27%	0.267	C	S	.	.	S	Bend	trans	-90.3	115.1	164.3	-177.7	83.4	0	0	0	108.6	F96 R99 C103 E122 V126 F298	F96-W101 HydrophobicContact CB-CE3 4.23Å; F96-W101 HydrophobicContact CB-CZ3 4.32Å; F96-W101 WeakPolarHBondContact CB-O 3.42Å; F96-W101 AromaticContact CD1-CE3 3.39Å; F96-W101 HydrophobicContact CD1-CE3 3.39Å; F96-W101 AromaticContact CD1-CZ3 3.65Å; F96-W101 HydrophobicContact CD1-CZ3 3.65Å; F96-W101 HydrophobicContact CD2-CE3 4.32Å; F96-W101 AromaticContact CD2-CZ3 3.76Å; F96-W101 HydrophobicContact CD2-CZ3 3.76Å; F96-W101 AromaticContact CE1-CE3 3.71Å; F96-W101 HydrophobicContact CE1-CE3 3.71Å; F96-W101 AromaticContact CE1-CZ3 3.77Å; F96-W101 HydrophobicContact CE1-CZ3 3.77Å; F96-W101 AromaticContact CE2-CZ3 3.91Å; F96-W101 HydrophobicContact CE2-CZ3 3.91Å; F96-W101 AromaticContact CG-CE3 3.72Å; F96-W101 HydrophobicContact CG-CE3 3.72Å; F96-W101 AromaticContact CG-CZ3 3.62Å; F96-W101 HydrophobicContact CG-CZ3 3.62Å; F96-W101 HydrophobicContact CZ-CE3 4.31Å; F96-W101 AromaticContact CZ-CZ3 3.9Å; F96-W101 HydrophobicContact CZ-CZ3 3.9Å; R99-W101 VanDerWaalsContact C-N 3.27Å; R99-W101 WeakPolarHBondContact CB-O 3.45Å; R99-W101 CarbonylContact O-C 3.55Å; R99-W101 PolarHBondContact O-N 3Å; W101-C103 HydrophobicContact CH2-CB 3.81Å; W101-C103 HydrophobicContact CZ2-CB 4.25Å; W101-C103 HydrophobicContact CZ3-CB 3.99Å; W101-E122 HydrophobicContact CB-CG 4.35Å; W101-E122 HydrophobicContact CD2-CB 3.95Å; W101-E122 HydrophobicContact CD2-CG 3.66Å; W101-E122 HydrophobicContact CE3-CB 3.99Å; W101-E122 HydrophobicContact CE3-CG 3.64Å; W101-E122 HydrophobicContact CG-CG 4Å; W101-E122 HydrophobicContact CH2-CB 4.13Å; W101-E122 HydrophobicContact CZ2-CB 4.08Å; W101-E122 HydrophobicContact CZ3-CB 4.08Å; W101-E122 HydrophobicContact CZ3-CG 4.17Å; W101-V126 HydrophobicContact CH2-CG2 3.76Å; W101-V126 HydrophobicContact CZ2-CG2 4.08Å; W101-F298 HydrophobicContact CB-CD1 3.8Å; W101-F298 HydrophobicContact CB-CD2 3.96Å; W101-F298 HydrophobicContact CB-CE1 3.86Å; W101-F298 HydrophobicContact CB-CE2 4Å; W101-F298 HydrophobicContact CB-CG 3.86Å; W101-F298 HydrophobicContact CB-CZ 3.96Å; W101-F298 AromaticContact CD1-CD1 3.81Å; W101-F298 AromaticContact CD1-CE1 3.42Å; W101-F298 VanDerWaalsContact CD1-CE1 3.42Å; W101-F298 HydrophobicContact CG-CD1 4.16Å; W101-F298 AromaticContact CG-CE1 3.85Å; W101-F298 HydrophobicContact CG-CE1 3.85Å; W101-F298 HydrophobicContact CG-CZ 4.08Å
102	N	93.9	Very high	89.4	Confident	61 Å²	61	55.4 Å²	55.4	33%	0.326	27%	0.266	S	S	.	.			trans	-106.9	29.4	-174.3	66.6	-19.5	0	0	0	113.4	F96	F96-N102 WeakPolarHBondContact O-CA 3.27Å
103	C	94.6	Very high	88.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.278	C	S	.	.			trans	53	61.7	-173.1	-161.3	0	0	0	0	113.1	C92 K93 F96 W101 T105	C92-C103 HydrophobicContact CB-CB 3.98Å; C92-C103 WeakPolarHBondContact CB-SG 3.02Å; C92-C103 WeakPolarHBondContact SG-CB 3.47Å; C92-C103 CovalentContact SG-SG 2.04Å; C92-C103 PolarHBondContact SG-SG 3.36Å; K93-C103 HydrophobicContact CG-CB 4.26Å; F96-C103 HydrophobicContact CB-CB 4.4Å; W101-C103 HydrophobicContact CH2-CB 3.81Å; W101-C103 HydrophobicContact CZ2-CB 4.25Å; W101-C103 HydrophobicContact CZ3-CB 3.99Å; C103-T105 PolarHBondContact O-N 3.02Å
104	P	91.5	Very high	88	Confident	28 Å²	28	57.8 Å²	57.8	18%	0.182	28%	0.284	C	S	.	.			trans	-64.7	136.1	-179.4	29.1	-34.5	0	0	0	110.6	L308	P104-L308 HydrophobicContact CB-CD1 3.67Å; P104-L308 HydrophobicContact CG-CD1 4.48Å
105	T	88.3	Confident	87.4	Confident	45 Å²	45	53.4 Å²	53.4	28%	0.276	27%	0.267	S	S	.	.			trans	-123.2	142.2	178.4	57.9	0	0	0	0	110.4	I89 K93 C103 I111 F112	I89-T105 HydrophobicContact CG2-CG2 3.7Å; K93-T105 WeakPolarHBondContact CE-OG1 3.41Å; K93-T105 PolarHBondContact NZ-OG1 3.49Å; C103-T105 PolarHBondContact O-N 3.02Å; T105-I111 CarbonylContact C-O 3.51Å; T105-I111 VanDerWaalsContact CA-O 3.32Å; T105-I111 WeakPolarHBondContact CA-O 3.45Å; T105-I111 HydrophobicContact CG2-CG2 3.86Å; T105-F112 HydrophobicContact CG2-CD1 4.45Å; T105-F112 HydrophobicContact CG2-CE1 4.27Å
106	T	82.8	Confident	86.9	Confident	65 Å²	65	52.6 Å²	52.6	40%	0.399	26%	0.264	S	S	.	.			trans	-114	156.8	175	68.6	0	0	0	0	110.8	S108 A110 I111	T106-S108 PolarHBondContact O-N 3.16Å; T106-S108 WeakPolarHBondContact OG1-CB 3.27Å; T106-A110 PolarHBondContact OG1-O 2.88Å; T106-A110 VanDerWaalsContact OG1-O 3.12Å; T106-I111 PolarHBondContact N-O 3.09Å; T106-I111 PolarHBondContact OG1-O 3.27Å
107	Y	76.9	Confident	86.5	Confident	218 Å²	218	55.6 Å²	55.6	86%	0.855	28%	0.28	S	S	*	.	S	Bend	trans	-75.2	1.9	172.9	-62.3	-75.8	0	0	0	113.1	N38	N38-Y107 VanDerWaalsContact ND2-C 3.33Å; N38-Y107 PolarHBondContact ND2-O 2.9Å; N38-Y107 VanDerWaalsContact ND2-O 3.07Å
108	S	77.4	Confident	86.2	Confident	60 Å²	60	54.6 Å²	54.6	42%	0.42	28%	0.276	S	S	.	.	S	Bend	trans	-74.5	155.9	174.6	176.9	0	0	0	0	111.1	N38 T106 A110 I111	N38-S108 PolarHBondContact ND2-O 3.25Å; T106-S108 PolarHBondContact O-N 3.16Å; T106-S108 WeakPolarHBondContact OG1-CB 3.27Å; S108-A110 CarbonylContact O-C 3.53Å; S108-A110 PolarHBondContact O-N 2.85Å; S108-A110 PolarHBondContact OG-N 3.45Å; S108-I111 PolarHBondContact O-N 3.48Å
109	P	72.4	Confident	86.3	Confident	57 Å²	57	51.3 Å²	51.3	37%	0.37	26%	0.259	S	S	.	.	S	Bend	trans	-51.6	-27.7	169.3	-29.4	35.9	0	0	0	114.5	G35 L62 I111	G35-P109 PolarHBondContact N-O 3.28Å; L62-P109 HydrophobicContact CD1-CB 3.87Å; L62-P109 HydrophobicContact CD1-CG 4.23Å; L62-P109 HydrophobicContact CD2-CB 3.61Å; L62-P109 HydrophobicContact CD2-CG 4Å; L62-P109 HydrophobicContact CG-CB 4.4Å; P109-I111 PolarHBondContact O-N 3Å
110	A	78.3	Confident	86.3	Confident	42 Å²	42	47.9 Å²	47.9	35%	0.347	25%	0.247	S	C	.	.	S	Bend	trans	-88.1	74.5	169.5	0	0	0	0	0	110.3	T106 S108 F112 G113	T106-A110 PolarHBondContact OG1-O 2.88Å; T106-A110 VanDerWaalsContact OG1-O 3.12Å; S108-A110 CarbonylContact O-C 3.53Å; S108-A110 PolarHBondContact O-N 2.85Å; S108-A110 PolarHBondContact OG-N 3.45Å; A110-F112 VanDerWaalsContact C-N 3.33Å; A110-F112 PolarHBondContact O-N 2.74Å; A110-G113 PolarHBondContact O-N 2.75Å
111	I	83.8	Confident	86.4	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-48.7	-171.9	-64.4	-171.2	0	0	0	112.4	W34 V37 I89 T105 T106 S108 P109 G113	W34-I111 VanDerWaalsContact C-CD1 3.44Å; W34-I111 HydrophobicContact CB-CB 4.43Å; W34-I111 HydrophobicContact CB-CD1 4.17Å; W34-I111 HydrophobicContact CB-CG1 4.33Å; W34-I111 WeakPolarHBondContact O-CD1 3.02Å; V37-I111 HydrophobicContact CB-CD1 3.73Å; V37-I111 HydrophobicContact CG1-CD1 4.28Å; V37-I111 HydrophobicContact CG2-CD1 4.11Å; I89-I111 HydrophobicContact CD1-CD1 4.19Å; I89-I111 HydrophobicContact CD1-CG2 4.04Å; T105-I111 CarbonylContact C-O 3.51Å; T105-I111 VanDerWaalsContact CA-O 3.32Å; T105-I111 WeakPolarHBondContact CA-O 3.45Å; T105-I111 HydrophobicContact CG2-CG2 3.86Å; T106-I111 PolarHBondContact N-O 3.09Å; T106-I111 PolarHBondContact OG1-O 3.27Å; S108-I111 PolarHBondContact O-N 3.48Å; P109-I111 PolarHBondContact O-N 3Å; I111-G113 VanDerWaalsContact C-N 3.27Å; I111-G113 PolarHBondContact O-N 3Å
112	F	80.6	Confident	86.5	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.031	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	5.2	-179.1	-60.1	-72.7	0	0	0	113.7	W34 I89 T105 A110 I115 V116 V126 T130	W34-F112 AromaticContact CD2-CD2 3.87Å; W34-F112 HydrophobicContact CD2-CD2 3.87Å; W34-F112 AromaticContact CD2-CE2 3.98Å; W34-F112 HydrophobicContact CD2-CE2 3.98Å; W34-F112 AromaticContact CE3-CD2 3.61Å; W34-F112 HydrophobicContact CE3-CD2 3.61Å; W34-F112 HydrophobicContact CE3-CE2 4.21Å; W34-F112 HydrophobicContact CG-CD2 4.43Å; W34-F112 HydrophobicContact CG-CE2 4.2Å; W34-F112 HydrophobicContact CH2-CD2 4.47Å; W34-F112 AromaticContact CZ3-CD2 3.95Å; W34-F112 HydrophobicContact CZ3-CD2 3.95Å; I89-F112 HydrophobicContact CG1-CE1 4.29Å; I89-F112 HydrophobicContact CG1-CZ 3.75Å; T105-F112 HydrophobicContact CG2-CD1 4.45Å; T105-F112 HydrophobicContact CG2-CE1 4.27Å; A110-F112 VanDerWaalsContact C-N 3.33Å; A110-F112 PolarHBondContact O-N 2.74Å; F112-I115 VanDerWaalsContact O-CG2 3.3Å; F112-I115 WeakPolarHBondContact O-CG2 3.36Å; F112-V116 HydrophobicContact CB-CG1 3.64Å; F112-V116 HydrophobicContact CG-CG1 4.44Å; F112-V126 HydrophobicContact CD1-CG1 4.18Å; F112-V126 HydrophobicContact CD1-CG2 4.14Å; F112-V126 HydrophobicContact CD2-CG1 3.5Å; F112-V126 HydrophobicContact CE1-CG1 4.23Å; F112-V126 HydrophobicContact CE1-CG2 4.3Å; F112-V126 HydrophobicContact CE2-CG1 3.57Å; F112-V126 HydrophobicContact CG-CG1 3.82Å; F112-V126 HydrophobicContact CG-CG2 4.43Å; F112-V126 HydrophobicContact CZ-CG1 3.93Å; F112-T130 HydrophobicContact CE2-CG2 3.94Å; F112-T130 HydrophobicContact CZ-CG2 4.1Å
113	G	82.1	Confident	86.6	Confident	25 Å²	25	44.4 Å²	44.4	26%	0.258	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-143.8	176.8	0	0	0	0	0	113.6	A110 I111 V116	A110-G113 PolarHBondContact O-N 2.75Å; I111-G113 VanDerWaalsContact C-N 3.27Å; I111-G113 PolarHBondContact O-N 3Å; G113-V116 WeakPolarHBondContact O-CG2 3.44Å
114	K	84.4	Confident	86.7	Confident	113 Å²	113	44.5 Å²	44.5	49%	0.491	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-12.8	-173.6	-64.6	179.8	-173.4	172.9	0	114.2	V116 N117 G303	K114-V116 PolarHBondContact O-N 3.13Å; K114-N117 WeakPolarHBondContact O-CB 3.38Å; K114-N117 PolarHBondContact O-N 3.45Å; K114-N117 VanDerWaalsContact O-N 3.07Å; K114-G303 PolarHBondContact NZ-O 3.47Å
115	I	85.1	Confident	87	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.036	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-59.8	-34.7	-176.8	-168	62.3	0	0	0	111.5	F112 N117 R118 T123 P296 F298	F112-I115 VanDerWaalsContact O-CG2 3.3Å; F112-I115 WeakPolarHBondContact O-CG2 3.36Å; I115-N117 PolarHBondContact O-N 2.83Å; I115-N117 VanDerWaalsContact O-N 3.13Å; I115-R118 WeakPolarHBondContact O-CB 3.36Å; I115-R118 PolarHBondContact O-N 3.1Å; I115-T123 PolarHBondContact O-OG1 3Å; I115-P296 HydrophobicContact CD1-CG 3.84Å; I115-F298 HydrophobicContact CD1-CE1 4.17Å; I115-F298 HydrophobicContact CD1-CZ 4.36Å
116	V	87.1	Confident	87.4	Confident	8 Å²	8	41 Å²	41	5%	0.048	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-67.1	-14.2	-179.5	-63.4	0	0	0	0	114	W34 F112 G113 K114 R118 T123 V126	W34-V116 HydrophobicContact CH2-CB 4.18Å; W34-V116 HydrophobicContact CH2-CG1 3.83Å; W34-V116 HydrophobicContact CZ3-CB 3.95Å; W34-V116 HydrophobicContact CZ3-CG1 3.62Å; W34-V116 HydrophobicContact CZ3-CG2 4.01Å; F112-V116 HydrophobicContact CB-CG1 3.64Å; F112-V116 HydrophobicContact CG-CG1 4.44Å; G113-V116 WeakPolarHBondContact O-CG2 3.44Å; K114-V116 PolarHBondContact O-N 3.13Å; V116-R118 VanDerWaalsContact C-N 3.26Å; V116-T123 HydrophobicContact CB-CG2 4.46Å; V116-V126 HydrophobicContact CG1-CG1 4.24Å
117	N	87.4	Confident	88.1	Confident	64 Å²	64	38 Å²	38	34%	0.342	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-78.4	-13.1	171.6	-66.1	-47.3	0	0	0	112.4	N28 K114 I115 R194	N28-N117 PolarHBondContact ND2-OD1 3.37Å; K114-N117 WeakPolarHBondContact O-CB 3.38Å; K114-N117 PolarHBondContact O-N 3.45Å; K114-N117 VanDerWaalsContact O-N 3.07Å; I115-N117 PolarHBondContact O-N 2.83Å; I115-N117 VanDerWaalsContact O-N 3.13Å; N117-R194 PolarHBondContact O-NE 3.24Å; N117-R194 PolarHBondContact O-NH2 3.05Å
118	R	89.6	Confident	89.1	Confident	89 Å²	89	27.6 Å²	27.6	34%	0.336	15%	0.149	S	C	.	.	S	Bend	trans	-98.6	145.3	177.6	-60.3	-169.3	67.2	86.4	4.6	110.8	I115 V116 C120 T123 E293	I115-R118 WeakPolarHBondContact O-CB 3.36Å; I115-R118 PolarHBondContact O-N 3.1Å; V116-R118 VanDerWaalsContact C-N 3.26Å; R118-C120 PolarHBondContact O-N 3.44Å; R118-C120 VanDerWaalsContact O-N 3.12Å; R118-T123 VanDerWaalsContact O-CB 3.26Å; R118-T123 WeakPolarHBondContact O-CB 3.38Å; R118-T123 WeakPolarHBondContact O-CG2 3.38Å; R118-T123 PolarHBondContact O-OG1 3.26Å; R118-E293 WeakPolarHBondContact CA-OE2 3.41Å; R118-E293 WeakPolarHBondContact CB-OE2 3.26Å; R118-E293 IonicContact CZ-OE2 3.83Å; R118-E293 IonicContact NE-OE2 2.72Å; R118-E293 IonicContact NH2-OE2 3.08Å
119	G	92.2	Very high	90.1	Very high	2 Å²	2	24.7 Å²	24.7	2%	0.021	13%	0.129	C	C	.	.			trans	-85.4	43.5	179.1	0	0	0	0	0	113.9	F292 E293	G119-F292 VanDerWaalsContact CA-CE1 3.47Å; G119-F292 VanDerWaalsContact CA-CZ 3.48Å; G119-F292 PolarHBondContact O-N 3.39Å; G119-E293 PolarHBondContact N-OE2 2.66Å; G119-E293 PolarHBondContact O-N 3.42Å
120	C	95.1	Very high	91.2	Very high	1 Å²	1	22 Å²	22	1%	0.007	11%	0.111	C	C	.	.	S	Bend	trans	-95	170.4	-174.5	67	0	0	0	0	113.4	R118 E122 T123 A124 E293	R118-C120 PolarHBondContact O-N 3.44Å; R118-C120 VanDerWaalsContact O-N 3.12Å; C120-E122 VanDerWaalsContact C-N 3.29Å; C120-E122 PolarHBondContact O-N 3.43Å; C120-T123 WeakPolarHBondContact O-CB 3.29Å; C120-T123 PolarHBondContact O-N 3.09Å; C120-T123 PolarHBondContact SG-OG1 3.23Å; C120-A124 PolarHBondContact O-N 2.83Å; C120-E293 WeakPolarHBondContact CA-O 3.5Å
121	R	96.9	Very high	92.2	Very high	85 Å²	85	20 Å²	20	32%	0.321	10%	0.095	S	C	.	.	H	α-helix	trans	-58.1	-40	-179.4	-71.3	-171.7	-68.9	179.6	-3.5	112.7	T123 A124 F125 F249 A252 Y291	R121-T123 VanDerWaalsContact C-N 3.3Å; R121-T123 PolarHBondContact O-N 3.47Å; R121-A124 WeakPolarHBondContact O-CB 3.04Å; R121-A124 PolarHBondContact O-N 3.36Å; R121-F125 PolarHBondContact O-N 2.95Å; R121-F125 VanDerWaalsContact O-N 3.1Å; R121-F249 VanDerWaalsContact C-CE2 3.45Å; R121-F249 HydrophobicContact CB-CD2 4.09Å; R121-F249 HydrophobicContact CB-CE2 3.57Å; R121-F249 HydrophobicContact CB-CZ 4.19Å; R121-F249 WeakPolarHBondContact O-CD2 3.35Å; R121-F249 WeakPolarHBondContact O-CE2 3.21Å; R121-A252 HydrophobicContact CG-CB 4.29Å; R121-Y291 HydrophobicContact CG-CD1 3.37Å; R121-Y291 HydrophobicContact CG-CD2 3.84Å; R121-Y291 HydrophobicContact CG-CE1 3.47Å; R121-Y291 VanDerWaalsContact CG-CE1 3.47Å; R121-Y291 HydrophobicContact CG-CE2 3.94Å; R121-Y291 HydrophobicContact CG-CG 3.55Å
122	E	96	Very high	92.9	Very high	13 Å²	13	19.9 Å²	19.9	6%	0.061	9%	0.094	C	C	.	.	H	α-helix	trans	-64.6	-39.7	-179.4	-65.9	72.8	-161.4	0	0	110.7	W101 C120 F125 V126 F249 S295 F298	W101-E122 HydrophobicContact CB-CG 4.35Å; W101-E122 HydrophobicContact CD2-CB 3.95Å; W101-E122 HydrophobicContact CD2-CG 3.66Å; W101-E122 HydrophobicContact CE3-CB 3.99Å; W101-E122 HydrophobicContact CE3-CG 3.64Å; W101-E122 HydrophobicContact CG-CG 4Å; W101-E122 HydrophobicContact CH2-CB 4.13Å; W101-E122 HydrophobicContact CZ2-CB 4.08Å; W101-E122 HydrophobicContact CZ3-CB 4.08Å; W101-E122 HydrophobicContact CZ3-CG 4.17Å; C120-E122 VanDerWaalsContact C-N 3.29Å; C120-E122 PolarHBondContact O-N 3.43Å; E122-F125 PolarHBondContact O-N 2.99Å; E122-V126 WeakPolarHBondContact O-CG2 3.49Å; E122-V126 PolarHBondContact O-N 3.25Å; E122-V126 VanDerWaalsContact O-N 3.09Å; E122-F249 HydrophobicContact CG-CE2 4.27Å; E122-F249 HydrophobicContact CG-CZ 4.41Å; E122-S295 PolarHBondContact OE1-OG 3.18Å; E122-S295 VanDerWaalsContact OE2-CB 3.27Å; E122-S295 WeakPolarHBondContact OE2-CB 3.35Å; E122-S295 PolarHBondContact OE2-OG 3.3Å; E122-F298 HydrophobicContact CG-CE2 4.15Å; E122-F298 HydrophobicContact CG-CZ 3.82Å; E122-F298 WeakPolarHBondContact OE1-CE2 3.47Å
123	T	95.3	Very high	93.7	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	9%	0.093	C	C	.	.	H	α-helix	trans	-61.8	-46.3	172.7	-54.3	0	0	0	0	111.1	I115 V116 R118 C120 R121 F125 V126 F127	I115-T123 PolarHBondContact O-OG1 3Å; V116-T123 HydrophobicContact CB-CG2 4.46Å; R118-T123 VanDerWaalsContact O-CB 3.26Å; R118-T123 WeakPolarHBondContact O-CB 3.38Å; R118-T123 WeakPolarHBondContact O-CG2 3.38Å; R118-T123 PolarHBondContact O-OG1 3.26Å; C120-T123 WeakPolarHBondContact O-CB 3.29Å; C120-T123 PolarHBondContact O-N 3.09Å; C120-T123 PolarHBondContact SG-OG1 3.23Å; R121-T123 VanDerWaalsContact C-N 3.3Å; R121-T123 PolarHBondContact O-N 3.47Å; T123-F125 VanDerWaalsContact C-N 3.28Å; T123-F125 PolarHBondContact O-N 3.49Å; T123-V126 PolarHBondContact O-N 2.89Å; T123-F127 HydrophobicContact CG2-CD2 3.58Å; T123-F127 HydrophobicContact CG2-CE2 3.45Å; T123-F127 VanDerWaalsContact CG2-CE2 3.45Å; T123-F127 WeakPolarHBondContact O-CD2 3.08Å; T123-F127 PolarHBondContact O-N 2.94Å
124	A	97.4	Very high	94.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-54.6	-44.9	178.5	0	0	0	0	0	112.1	C120 R121 F127 A128 N201 L289 V290	C120-A124 PolarHBondContact O-N 2.83Å; R121-A124 WeakPolarHBondContact O-CB 3.04Å; R121-A124 PolarHBondContact O-N 3.36Å; A124-F127 PolarHBondContact O-N 2.95Å; A124-A128 WeakPolarHBondContact O-CB 3.42Å; A124-A128 PolarHBondContact O-N 3.26Å; A124-A128 VanDerWaalsContact O-N 3.07Å; A124-N201 WeakPolarHBondContact CA-ND2 3.32Å; A124-N201 WeakPolarHBondContact CB-ND2 3.29Å; A124-L289 HydrophobicContact CB-CB 4.43Å; A124-V290 WeakPolarHBondContact CB-O 3.31Å
125	F	98.1	Very high	95.1	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.9	-42.3	175.5	-175.7	-88	0	0	0	112.8	C92 Q95 F96 R121 E122 T123 F127 A128 I129 L245 K246 F249 L289	C92-F125 HydrophobicContact CB-CE1 4.13Å; Q95-F125 HydrophobicContact CB-CZ 4.27Å; Q95-F125 HydrophobicContact CG-CZ 4.26Å; F96-F125 HydrophobicContact CD2-CD1 4.32Å; F96-F125 HydrophobicContact CD2-CE1 4.14Å; F96-F125 AromaticContact CE2-CD1 3.48Å; F96-F125 HydrophobicContact CE2-CD1 3.48Å; F96-F125 VanDerWaalsContact CE2-CD1 3.48Å; F96-F125 HydrophobicContact CE2-CD2 4.09Å; F96-F125 AromaticContact CE2-CE1 3.56Å; F96-F125 HydrophobicContact CE2-CE1 3.56Å; F96-F125 HydrophobicContact CE2-CE2 4.13Å; F96-F125 AromaticContact CE2-CG 3.76Å; F96-F125 HydrophobicContact CE2-CG 3.76Å; F96-F125 AromaticContact CE2-CZ 3.89Å; F96-F125 HydrophobicContact CE2-CZ 3.89Å; F96-F125 HydrophobicContact CZ-CB 4.46Å; F96-F125 HydrophobicContact CZ-CD1 4.21Å; F96-F125 HydrophobicContact CZ-CD2 4.43Å; F96-F125 HydrophobicContact CZ-CG 4.1Å; R121-F125 PolarHBondContact O-N 2.95Å; R121-F125 VanDerWaalsContact O-N 3.1Å; E122-F125 PolarHBondContact O-N 2.99Å; T123-F125 VanDerWaalsContact C-N 3.28Å; T123-F125 PolarHBondContact O-N 3.49Å; F125-F127 PolarHBondContact O-N 3.33Å; F125-A128 PolarHBondContact O-N 3.12Å; F125-I129 HydrophobicContact CD1-CB 4.34Å; F125-I129 HydrophobicContact CD1-CG2 4.09Å; F125-I129 HydrophobicContact CE1-CB 3.91Å; F125-I129 HydrophobicContact CE1-CG1 4.22Å; F125-I129 HydrophobicContact CE1-CG2 3.9Å; F125-I129 HydrophobicContact CZ-CB 4.26Å; F125-I129 HydrophobicContact CZ-CD1 4.4Å; F125-I129 HydrophobicContact CZ-CG1 4.35Å; F125-I129 WeakPolarHBondContact O-CB 3.14Å; F125-I129 VanDerWaalsContact O-CG2 3.28Å; F125-I129 WeakPolarHBondContact O-CG2 3.47Å; F125-I129 PolarHBondContact O-N 3.07Å; F125-L245 HydrophobicContact CD2-CB 4.21Å; F125-L245 HydrophobicContact CE2-CB 3.68Å; F125-L245 HydrophobicContact CZ-CB 4.49Å; F125-K246 HydrophobicContact CE2-CB 4.28Å; F125-F249 HydrophobicContact CB-CD2 3.81Å; F125-F249 HydrophobicContact CD2-CB 3.93Å; F125-F249 HydrophobicContact CD2-CG 4.45Å; F125-F249 HydrophobicContact CG-CD2 4.47Å; F125-L289 HydrophobicContact CB-CD1 4.41Å; F125-L289 HydrophobicContact CD2-CD1 4.37Å
126	V	96.6	Very high	95.8	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-59.4	-45.2	177.9	168.5	0	0	0	0	111.6	W34 W101 F112 V116 E122 T123 T130	W34-V126 HydrophobicContact CH2-CG1 4.08Å; W34-V126 HydrophobicContact CZ2-CG1 4.11Å; W101-V126 HydrophobicContact CH2-CG2 3.76Å; W101-V126 HydrophobicContact CZ2-CG2 4.08Å; F112-V126 HydrophobicContact CD1-CG1 4.18Å; F112-V126 HydrophobicContact CD1-CG2 4.14Å; F112-V126 HydrophobicContact CD2-CG1 3.5Å; F112-V126 HydrophobicContact CE1-CG1 4.23Å; F112-V126 HydrophobicContact CE1-CG2 4.3Å; F112-V126 HydrophobicContact CE2-CG1 3.57Å; F112-V126 HydrophobicContact CG-CG1 3.82Å; F112-V126 HydrophobicContact CG-CG2 4.43Å; F112-V126 HydrophobicContact CZ-CG1 3.93Å; V116-V126 HydrophobicContact CG1-CG1 4.24Å; E122-V126 WeakPolarHBondContact O-CG2 3.49Å; E122-V126 PolarHBondContact O-N 3.25Å; E122-V126 VanDerWaalsContact O-N 3.09Å; T123-V126 PolarHBondContact O-N 2.89Å; V126-T130 HydrophobicContact CG1-CG2 4.45Å; V126-T130 WeakPolarHBondContact O-CB 3.31Å; V126-T130 WeakPolarHBondContact O-CG2 3.26Å; V126-T130 PolarHBondContact O-N 3.16Å; V126-T130 VanDerWaalsContact O-N 3.09Å; V126-T130 PolarHBondContact O-OG1 3.21Å
127	F	96.7	Very high	96.3	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-63.3	-45.5	176.6	-83.9	-85.6	0	0	0	111.4	W34 T123 A124 F125 T130 S131 N198 N201 N202	W34-F127 HydrophobicContact CH2-CD2 4.48Å; W34-F127 HydrophobicContact CH2-CE1 4.09Å; W34-F127 AromaticContact CH2-CE2 3.98Å; W34-F127 HydrophobicContact CH2-CE2 3.98Å; W34-F127 AromaticContact CH2-CZ 3.77Å; W34-F127 HydrophobicContact CH2-CZ 3.77Å; W34-F127 HydrophobicContact CZ2-CD1 4.24Å; W34-F127 HydrophobicContact CZ2-CE1 4.05Å; W34-F127 HydrophobicContact CZ2-CZ 4.19Å; T123-F127 HydrophobicContact CG2-CD2 3.58Å; T123-F127 HydrophobicContact CG2-CE2 3.45Å; T123-F127 VanDerWaalsContact CG2-CE2 3.45Å; T123-F127 WeakPolarHBondContact O-CD2 3.08Å; T123-F127 PolarHBondContact O-N 2.94Å; A124-F127 PolarHBondContact O-N 2.95Å; F125-F127 PolarHBondContact O-N 3.33Å; F127-T130 PolarHBondContact O-OG1 3.4Å; F127-S131 WeakPolarHBondContact O-CB 3.48Å; F127-S131 PolarHBondContact O-N 2.87Å; F127-N198 HydrophobicContact CD1-CB 4.16Å; F127-N198 HydrophobicContact CE1-CB 4.08Å; F127-N198 HydrophobicContact CZ-CB 4.39Å; F127-N198 VanDerWaalsContact CZ-ND2 3.33Å; F127-N198 WeakPolarHBondContact CZ-ND2 3.38Å; F127-N201 HydrophobicContact CB-CB 4.14Å; F127-N202 WeakPolarHBondContact CB-OD1 3.46Å; F127-N202 WeakPolarHBondContact CD1-OD1 3.15Å; F127-N202 PolarHBondContact O-OD1 3.46Å
128	A	98.3	Very high	96.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.7	-51.6	178.1	0	0	0	0	0	113.2	A124 F125 T130 S131 A132 N201 G205 L245 L289	A124-A128 WeakPolarHBondContact O-CB 3.42Å; A124-A128 PolarHBondContact O-N 3.26Å; A124-A128 VanDerWaalsContact O-N 3.07Å; F125-A128 PolarHBondContact O-N 3.12Å; A128-T130 VanDerWaalsContact C-N 3.33Å; A128-T130 PolarHBondContact O-N 3.13Å; A128-S131 PolarHBondContact O-N 3.15Å; A128-A132 VanDerWaalsContact O-CB 3.26Å; A128-A132 WeakPolarHBondContact O-CB 3.26Å; A128-A132 PolarHBondContact O-N 3.48Å; A128-N201 VanDerWaalsContact CA-O 3.26Å; A128-N201 WeakPolarHBondContact CA-O 3.43Å; A128-N201 VanDerWaalsContact CB-O 3.31Å; A128-N201 WeakPolarHBondContact CB-O 3.21Å; A128-G205 WeakPolarHBondContact O-CA 3.4Å; A128-L245 HydrophobicContact CB-CD1 4.31Å; A128-L245 HydrophobicContact CB-CD2 4.03Å; A128-L289 HydrophobicContact CB-CD2 3.53Å
129	I	98.3	Very high	97.2	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-67.2	-33.7	-176.4	-164.1	64.9	0	0	0	112	A88 E91 C92 F125 G133 F238 L245	A88-I129 HydrophobicContact CB-CG1 4.21Å; A88-I129 WeakPolarHBondContact CB-O 3.36Å; E91-I129 HydrophobicContact CG-CD1 4.35Å; C92-I129 HydrophobicContact CB-CG2 4.37Å; F125-I129 HydrophobicContact CD1-CB 4.34Å; F125-I129 HydrophobicContact CD1-CG2 4.09Å; F125-I129 HydrophobicContact CE1-CB 3.91Å; F125-I129 HydrophobicContact CE1-CG1 4.22Å; F125-I129 HydrophobicContact CE1-CG2 3.9Å; F125-I129 HydrophobicContact CZ-CB 4.26Å; F125-I129 HydrophobicContact CZ-CD1 4.4Å; F125-I129 HydrophobicContact CZ-CG1 4.35Å; F125-I129 WeakPolarHBondContact O-CB 3.14Å; F125-I129 VanDerWaalsContact O-CG2 3.28Å; F125-I129 WeakPolarHBondContact O-CG2 3.47Å; F125-I129 PolarHBondContact O-N 3.07Å; I129-G133 PolarHBondContact O-N 2.95Å; I129-F238 HydrophobicContact CD1-CE1 3.67Å; I129-F238 HydrophobicContact CD1-CZ 3.74Å; I129-F238 HydrophobicContact CG1-CE1 4.16Å; I129-F238 HydrophobicContact CG1-CZ 4.23Å; I129-L245 HydrophobicContact CB-CD1 4.25Å; I129-L245 HydrophobicContact CD1-CD1 3.68Å
130	T	96.8	Very high	97.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-72.8	-40.4	176.7	56.4	0	0	0	0	111.8	W34 L85 A88 F112 V126 F127 A128 G133 V134	W34-T130 PolarHBondContact NE1-OG1 3.28Å; L85-T130 HydrophobicContact CD2-CG2 4.13Å; A88-T130 HydrophobicContact CB-CG2 4.47Å; F112-T130 HydrophobicContact CE2-CG2 3.94Å; F112-T130 HydrophobicContact CZ-CG2 4.1Å; V126-T130 HydrophobicContact CG1-CG2 4.45Å; V126-T130 WeakPolarHBondContact O-CB 3.31Å; V126-T130 WeakPolarHBondContact O-CG2 3.26Å; V126-T130 PolarHBondContact O-N 3.16Å; V126-T130 VanDerWaalsContact O-N 3.09Å; V126-T130 PolarHBondContact O-OG1 3.21Å; F127-T130 PolarHBondContact O-OG1 3.4Å; A128-T130 VanDerWaalsContact C-N 3.33Å; A128-T130 PolarHBondContact O-N 3.13Å; T130-G133 PolarHBondContact O-N 3.06Å; T130-V134 WeakPolarHBondContact O-CG2 3.43Å; T130-V134 PolarHBondContact O-N 3.14Å
131	S	98	Very high	97.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.4	-38.3	173.7	-161.2	0	0	0	0	112.1	F127 A128 T135 S180 N202 R206	F127-S131 WeakPolarHBondContact O-CB 3.48Å; F127-S131 PolarHBondContact O-N 2.87Å; A128-S131 PolarHBondContact O-N 3.15Å; S131-T135 WeakPolarHBondContact O-CB 3.37Å; S131-T135 PolarHBondContact O-N 3.02Å; S131-T135 PolarHBondContact O-OG1 3.16Å; S131-S180 PolarHBondContact O-OG 3.48Å; S131-S180 VanDerWaalsContact O-OG 3.13Å; S131-S180 PolarHBondContact OG-OG 3.49Å; S131-S180 VanDerWaalsContact OG-OG 3.05Å; S131-N202 WeakPolarHBondContact CB-O 3.07Å; S131-N202 PolarHBondContact OG-O 3.15Å; S131-R206 VanDerWaalsContact OG-CG 3.27Å; S131-R206 WeakPolarHBondContact OG-CG 3.44Å; S131-R206 PolarHBondContact OG-NH1 2.72Å; S131-R206 VanDerWaalsContact OG-NH1 3.09Å
132	A	98.5	Very high	97.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.4	-45.2	172.6	0	0	0	0	0	111.5	A128 V134 T135 H136 G205 V209 F238 V241 L245	A128-A132 VanDerWaalsContact O-CB 3.26Å; A128-A132 WeakPolarHBondContact O-CB 3.26Å; A128-A132 PolarHBondContact O-N 3.48Å; A132-V134 PolarHBondContact O-N 3.03Å; A132-T135 PolarHBondContact O-N 3.42Å; A132-H136 VanDerWaalsContact O-CB 3.29Å; A132-H136 WeakPolarHBondContact O-CB 3.41Å; A132-H136 PolarHBondContact O-N 3.39Å; A132-G205 WeakPolarHBondContact CB-O 3.1Å; A132-V209 HydrophobicContact CB-CG2 3.71Å; A132-F238 HydrophobicContact CB-CE2 4.5Å; A132-V241 HydrophobicContact CB-CG1 3.97Å; A132-L245 HydrophobicContact CB-CD1 4.07Å
133	G	98.1	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57.6	-46.5	176.8	0	0	0	0	0	113.1	G84 I129 T130 A137 F238	G84-G133 VanDerWaalsContact CA-O 3.31Å; G84-G133 WeakPolarHBondContact CA-O 3.36Å; I129-G133 PolarHBondContact O-N 2.95Å; T130-G133 PolarHBondContact O-N 3.06Å; G133-A137 WeakPolarHBondContact O-CB 3.38Å; G133-A137 PolarHBondContact O-N 3.45Å; G133-F238 VanDerWaalsContact CA-CE2 3.49Å
134	V	97.8	Very high	97.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64	-45.3	175.7	174.2	0	0	0	0	111	W33 I81 L85 T130 A132 H136 V138 F179 V184	W33-V134 HydrophobicContact CH2-CG2 4Å; W33-V134 HydrophobicContact CZ3-CG2 4.19Å; I81-V134 HydrophobicContact CG1-CG1 4.39Å; I81-V134 HydrophobicContact CG2-CG2 4.28Å; L85-V134 HydrophobicContact CD2-CG2 4.36Å; L85-V134 HydrophobicContact CG-CG2 4.46Å; T130-V134 WeakPolarHBondContact O-CG2 3.43Å; T130-V134 PolarHBondContact O-N 3.14Å; A132-V134 PolarHBondContact O-N 3.03Å; V134-H136 PolarHBondContact O-N 3.23Å; V134-V138 HydrophobicContact CG1-CG2 4.16Å; V134-V138 VanDerWaalsContact O-CB 3.27Å; V134-V138 WeakPolarHBondContact O-CB 3.4Å; V134-V138 WeakPolarHBondContact O-CG2 3.35Å; V134-V138 PolarHBondContact O-N 3.35Å; V134-F179 HydrophobicContact CG1-CD1 4.49Å; V134-V184 HydrophobicContact CB-CG2 4.39Å; V134-V184 HydrophobicContact CG1-CG2 4.47Å; V134-V184 HydrophobicContact CG2-CG2 4.29Å
135	T	98.4	Very high	97.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.5	-48	178.9	-61.7	0	0	0	0	111.9	S131 A132 A139 V173 K177 S180 R206 V209	S131-T135 WeakPolarHBondContact O-CB 3.37Å; S131-T135 PolarHBondContact O-N 3.02Å; S131-T135 PolarHBondContact O-OG1 3.16Å; A132-T135 PolarHBondContact O-N 3.42Å; T135-A139 VanDerWaalsContact O-CB 3.22Å; T135-A139 WeakPolarHBondContact O-CB 3.41Å; T135-A139 PolarHBondContact O-N 3.25Å; T135-V173 HydrophobicContact CG2-CG2 4.31Å; T135-K177 HydrophobicContact CG2-CB 4.27Å; T135-S180 WeakPolarHBondContact OG1-CB 3.31Å; T135-S180 PolarHBondContact OG1-OG 3.04Å; T135-R206 WeakPolarHBondContact OG1-CG 3.31Å; T135-V209 HydrophobicContact CG2-CB 4.12Å; T135-V209 HydrophobicContact CG2-CG1 4Å
136	H	98.4	Very high	96.9	Very high	28 Å²	28	18 Å²	18	13%	0.13	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-51.5	-178.4	-176.3	-81.2	0	0	0	111.7	A132 V134 A139 R140 V209 L235 P236 F238	A132-H136 VanDerWaalsContact O-CB 3.29Å; A132-H136 WeakPolarHBondContact O-CB 3.41Å; A132-H136 PolarHBondContact O-N 3.39Å; V134-H136 PolarHBondContact O-N 3.23Å; H136-A139 PolarHBondContact O-N 3.47Å; H136-R140 WeakPolarHBondContact O-CB 3.39Å; H136-R140 PolarHBondContact O-N 3.28Å; H136-V209 HydrophobicContact CB-CG1 4.21Å; H136-V209 HydrophobicContact CB-CG2 4.49Å; H136-L235 WeakPolarHBondContact O-CD1 3.48Å; H136-P236 PolarHBondContact NE2-O 3.18Å; H136-F238 HydrophobicContact CB-CD2 3.97Å; H136-F238 HydrophobicContact CB-CE2 4.03Å; H136-F238 AromaticContact CG-CD2 3.76Å
137	A	97.8	Very high	96.6	Very high	13 Å²	13	18.1 Å²	18.1	11%	0.107	11%	0.112	C	C	.	.	H	α-helix	trans	-66.7	-42.2	-177.8	0	0	0	0	0	112.4	A80 G133 R140 S141	A80-A137 WeakPolarHBondContact O-CB 3.41Å; G133-A137 WeakPolarHBondContact O-CB 3.38Å; G133-A137 PolarHBondContact O-N 3.45Å; A137-R140 PolarHBondContact O-N 3.3Å; A137-S141 WeakPolarHBondContact O-CB 3.47Å; A137-S141 PolarHBondContact O-N 2.79Å; A137-S141 PolarHBondContact O-OG 2.9Å; A137-S141 VanDerWaalsContact O-OG 3.06Å
138	V	97.8	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-48.3	177.4	168.9	0	0	0	0	111.1	I77 A80 I81 V134 R140 S141 C142 F175 F179	I77-V138 HydrophobicContact CD1-CB 4.22Å; I77-V138 HydrophobicContact CD1-CG1 3.61Å; I77-V138 HydrophobicContact CD1-CG2 3.69Å; I77-V138 HydrophobicContact CG1-CG2 4.35Å; A80-V138 HydrophobicContact CB-CG2 4.17Å; I81-V138 HydrophobicContact CG1-CG2 4.42Å; V134-V138 HydrophobicContact CG1-CG2 4.16Å; V134-V138 VanDerWaalsContact O-CB 3.27Å; V134-V138 WeakPolarHBondContact O-CB 3.4Å; V134-V138 WeakPolarHBondContact O-CG2 3.35Å; V134-V138 PolarHBondContact O-N 3.35Å; V138-R140 VanDerWaalsContact C-N 3.29Å; V138-R140 PolarHBondContact O-N 2.76Å; V138-S141 PolarHBondContact O-N 3.5Å; V138-C142 PolarHBondContact O-N 3.49Å; V138-C142 PolarHBondContact O-SG 2.98Å; V138-F175 HydrophobicContact CG1-CD1 3.77Å; V138-F175 HydrophobicContact CG1-CE1 3.69Å; V138-F179 HydrophobicContact CG1-CB 4.33Å; V138-F179 HydrophobicContact CG1-CD1 4.31Å; V138-F179 HydrophobicContact CG1-CG 4.4Å; V138-F179 HydrophobicContact CG2-CD1 3.96Å; V138-F179 HydrophobicContact CG2-CE1 4.29Å
139	A	97.9	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-39.4	179	0	0	0	0	0	112.2	T135 H136 S143 N172 L235	T135-A139 VanDerWaalsContact O-CB 3.22Å; T135-A139 WeakPolarHBondContact O-CB 3.41Å; T135-A139 PolarHBondContact O-N 3.25Å; H136-A139 PolarHBondContact O-N 3.47Å; A139-S143 PolarHBondContact O-N 3.07Å; A139-N172 WeakPolarHBondContact CB-O 3.41Å; A139-L235 HydrophobicContact CB-CD1 3.85Å; A139-L235 HydrophobicContact CB-CD2 4.42Å
140	R	96.8	Very high	95.8	Very high	82 Å²	82	28.1 Å²	28.1	31%	0.309	17%	0.166	S	C	.	.	H	α-helix	trans	-67.4	-45.2	175	180	133.1	179.9	64.2	14.1	112.4	H136 A137 V138 C142 S143 E144 R234 L235	H136-R140 WeakPolarHBondContact O-CB 3.39Å; H136-R140 PolarHBondContact O-N 3.28Å; A137-R140 PolarHBondContact O-N 3.3Å; V138-R140 VanDerWaalsContact C-N 3.29Å; V138-R140 PolarHBondContact O-N 2.76Å; R140-C142 PolarHBondContact O-N 2.95Å; R140-S143 PolarHBondContact O-N 3.33Å; R140-E144 HydrophobicContact CG-CG 4.38Å; R140-E144 IonicContact CZ-OE1 3.74Å; R140-E144 IonicContact NE-OE1 3Å; R140-E144 PolarHBondContact NE-OE1 3.42Å; R140-E144 IonicContact NH1-OE1 3.82Å; R140-E144 IonicContact NH2-OE1 3.79Å; R140-E144 PolarHBondContact NH2-OE1 3.47Å; R140-E144 WeakPolarHBondContact O-CG 3.26Å; R140-E144 PolarHBondContact O-N 3.39Å; R140-R234 VanDerWaalsContact NE-NH2 3.18Å; R140-L235 HydrophobicContact CB-CD1 3.97Å
141	S	96.5	Very high	95.7	Very high	11 Å²	11	32.1 Å²	32.1	8%	0.077	19%	0.19	C	C	.	.	H	α-helix	trans	-63.7	-29.7	179	-66	0	0	0	0	113	A80 A137 V138 E144 G145 A146	A80-S141 WeakPolarHBondContact CB-OG 3.16Å; A137-S141 WeakPolarHBondContact O-CB 3.47Å; A137-S141 PolarHBondContact O-N 2.79Å; A137-S141 PolarHBondContact O-OG 2.9Å; A137-S141 VanDerWaalsContact O-OG 3.06Å; V138-S141 PolarHBondContact O-N 3.5Å; S141-E144 PolarHBondContact O-N 2.83Å; S141-G145 PolarHBondContact O-N 3.06Å; S141-A146 PolarHBondContact O-N 3.17Å
142	C	96.6	Very high	95.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-43	170.2	-66.2	0	0	0	0	112.3	V138 R140 E144 G145 C150 N172 F175	V138-C142 PolarHBondContact O-N 3.49Å; V138-C142 PolarHBondContact O-SG 2.98Å; R140-C142 PolarHBondContact O-N 2.95Å; C142-E144 VanDerWaalsContact C-N 3.34Å; C142-G145 PolarHBondContact O-N 3.45Å; C142-C150 WeakPolarHBondContact CA-SG 3.5Å; C142-C150 HydrophobicContact CB-CB 3.78Å; C142-C150 WeakPolarHBondContact CB-SG 3.42Å; C142-C150 WeakPolarHBondContact SG-CB 3.42Å; C142-C150 CovalentContact SG-SG 2.02Å; C142-C150 PolarHBondContact SG-SG 3.05Å; C142-N172 HydrophobicContact CB-CB 4.38Å; C142-F175 WeakPolarHBondContact SG-CD1 3.49Å
143	S	95.4	Very high	95.4	Very high	22 Å²	22	33.7 Å²	33.7	15%	0.154	20%	0.2	C	C	.	.	H	α-helix	trans	-76.1	-22.4	179.8	-69.2	0	0	0	0	113.8	A139 R140 G145 C169 S170 D171	A139-S143 PolarHBondContact O-N 3.07Å; R140-S143 PolarHBondContact O-N 3.33Å; S143-G145 VanDerWaalsContact C-N 3.3Å; S143-C169 VanDerWaalsContact CA-SG 3.6Å; S143-C169 WeakPolarHBondContact CB-SG 3.45Å; S143-C169 PolarHBondContact O-SG 3.45Å; S143-C169 VanDerWaalsContact O-SG 3.39Å; S143-S170 PolarHBondContact OG-O 2.85Å; S143-S170 VanDerWaalsContact OG-O 3.13Å; S143-D171 WeakPolarHBondContact CB-OD1 3.35Å; S143-D171 VanDerWaalsContact OG-CA 3.26Å; S143-D171 WeakPolarHBondContact OG-CA 3.18Å; S143-D171 PolarHBondContact OG-OD1 3.36Å
144	E	94.9	Very high	95.2	Very high	108 Å²	108	38.6 Å²	38.6	51%	0.505	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-9.6	170.5	-68.3	171.9	165.6	0	0	112.7	R140 S141 C142 A146	R140-E144 HydrophobicContact CG-CG 4.38Å; R140-E144 IonicContact CZ-OE1 3.74Å; R140-E144 IonicContact NE-OE1 3Å; R140-E144 PolarHBondContact NE-OE1 3.42Å; R140-E144 IonicContact NH1-OE1 3.82Å; R140-E144 IonicContact NH2-OE1 3.79Å; R140-E144 PolarHBondContact NH2-OE1 3.47Å; R140-E144 WeakPolarHBondContact O-CG 3.26Å; R140-E144 PolarHBondContact O-N 3.39Å; S141-E144 PolarHBondContact O-N 2.83Å; C142-E144 VanDerWaalsContact C-N 3.34Å; E144-A146 VanDerWaalsContact C-N 3.28Å; E144-A146 PolarHBondContact O-N 3.04Å
145	G	93.2	Very high	94.8	Very high	59 Å²	59	46.6 Å²	46.6	61%	0.608	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	17.1	-176.6	0	0	0	0	0	114.1	S141 C142 S143 V147	S141-G145 PolarHBondContact O-N 3.06Å; C142-G145 PolarHBondContact O-N 3.45Å; S143-G145 VanDerWaalsContact C-N 3.3Å; G145-V147 VanDerWaalsContact C-N 3.32Å
146	A	91.4	Very high	94.3	Very high	53 Å²	53	52.9 Å²	52.9	44%	0.438	27%	0.273	S	S	.	.			trans	-80.8	-12.3	-179.2	0	0	0	0	0	113.5	S141 E144	S141-A146 PolarHBondContact O-N 3.17Å; E144-A146 VanDerWaalsContact C-N 3.28Å; E144-A146 PolarHBondContact O-N 3.04Å
147	V	91.6	Very high	93.7	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.012	30%	0.296	C	S	.	.	S	Bend	trans	-119.9	119.1	178.1	176.3	0	0	0	0	108.3	I77 G145 S149 C150	I77-V147 HydrophobicContact CD1-CG1 4Å; I77-V147 HydrophobicContact CD1-CG2 3.88Å; G145-V147 VanDerWaalsContact C-N 3.32Å; V147-S149 VanDerWaalsContact C-N 3.27Å; V147-S149 WeakPolarHBondContact CG1-OG 3.29Å; V147-S149 PolarHBondContact O-N 3.23Å; V147-C150 VanDerWaalsContact CB-SG 3.57Å; V147-C150 VanDerWaalsContact CG1-SG 3.5Å; V147-C150 PolarHBondContact O-N 3.07Å; V147-C150 VanDerWaalsContact O-O 3.12Å
148	E	88.7	Confident	93.3	Very high	147 Å²	147	60.2 Å²	60.2	69%	0.687	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-25.9	-172.9	-65.3	176.7	-172.3	0	0	113.5	P75 C150	P75-E148 HydrophobicContact CB-CB 4.46Å; P75-E148 HydrophobicContact CB-CG 4.3Å; P75-E148 PolarHBondContact O-N 2.96Å; E148-C150 VanDerWaalsContact C-N 3.34Å; E148-C150 PolarHBondContact O-N 2.03Å
149	S	91	Very high	92.9	Very high	51 Å²	51	66.1 Å²	66.1	36%	0.357	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.7	-174.2	57.5	0	0	0	0	114.6	N74 V147	N74-S149 WeakPolarHBondContact CB-OG 3.34Å; N74-S149 VanDerWaalsContact CG-OG 3.32Å; N74-S149 WeakPolarHBondContact OD1-CB 3.39Å; N74-S149 PolarHBondContact OD1-OG 3.13Å; V147-S149 VanDerWaalsContact C-N 3.27Å; V147-S149 WeakPolarHBondContact CG1-OG 3.29Å; V147-S149 PolarHBondContact O-N 3.23Å
150	C	95.4	Very high	92.3	Very high	12 Å²	12	67.5 Å²	67.5	8%	0.081	36%	0.358	C	S	.	.			trans	-141.5	162.2	179.3	59	0	0	0	0	111.8	C142 V147 E148 F175	C142-C150 WeakPolarHBondContact CA-SG 3.5Å; C142-C150 HydrophobicContact CB-CB 3.78Å; C142-C150 WeakPolarHBondContact CB-SG 3.42Å; C142-C150 WeakPolarHBondContact SG-CB 3.42Å; C142-C150 CovalentContact SG-SG 2.02Å; C142-C150 PolarHBondContact SG-SG 3.05Å; V147-C150 VanDerWaalsContact CB-SG 3.57Å; V147-C150 VanDerWaalsContact CG1-SG 3.5Å; V147-C150 PolarHBondContact O-N 3.07Å; V147-C150 VanDerWaalsContact O-O 3.12Å; E148-C150 VanDerWaalsContact C-N 3.34Å; E148-C150 PolarHBondContact O-N 2.03Å; C150-F175 HydrophobicContact CB-CD1 3.76Å; C150-F175 HydrophobicContact CB-CD2 3.94Å; C150-F175 HydrophobicContact CB-CE1 3.69Å; C150-F175 HydrophobicContact CB-CE2 3.88Å; C150-F175 HydrophobicContact CB-CG 3.88Å; C150-F175 HydrophobicContact CB-CZ 3.75Å
151	T	95.6	Very high	91.9	Very high	84 Å²	84	65 Å²	65	52%	0.515	36%	0.358	S	S	.	.			trans	-138	178.4	178.4	61.3	0	0	0	0	109.5	N172	T151-N172 VanDerWaalsContact O-CB 3.32Å; T151-N172 WeakPolarHBondContact O-CB 3.39Å; T151-N172 PolarHBondContact O-ND2 3.03Å
152	C	95.9	Very high	91.4	Very high	15 Å²	15	70.7 Å²	70.7	10%	0.101	40%	0.395	C	S	.	.			trans	-52.5	156	170	-46.2	0	0	0	0	112.1	Y154 C169 S170	C152-Y154 HydrophobicContact CB-CD1 4.3Å; C152-Y154 HydrophobicContact CB-CE1 3.76Å; C152-Y154 HydrophobicContact CB-CE2 4.05Å; C152-Y154 WeakPolarHBondContact O-CD2 3.38Å; C152-Y154 PolarHBondContact O-N 2.82Å; C152-C169 HydrophobicContact CB-CB 3.91Å; C152-C169 WeakPolarHBondContact CB-SG 3.33Å; C152-C169 WeakPolarHBondContact SG-CB 3.22Å; C152-C169 CovalentContact SG-SG 2.02Å; C152-C169 PolarHBondContact SG-SG 3.05Å; C152-S170 WeakPolarHBondContact CA-O 3.49Å
153	D	95.3	Very high	91.1	Very high	19 Å²	19	75.4 Å²	75.4	10%	0.102	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-77.3	119.1	168.6	-175.8	7.8	0	0	0	110.5	R155 S170 N172	D153-R155 WeakPolarHBondContact OD1-CB 3.38Å; D153-R155 VanDerWaalsContact OD1-CG 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.47Å; D153-R155 IonicContact OD1-CZ 3.53Å; D153-R155 PolarHBondContact OD1-N 3.45Å; D153-R155 IonicContact OD1-NE 2.96Å; D153-R155 PolarHBondContact OD1-NE 2.99Å; D153-R155 IonicContact OD1-NH2 3.36Å; D153-R155 IonicContact OD2-CZ 3.72Å; D153-R155 IonicContact OD2-NE 2.87Å; D153-R155 PolarHBondContact OD2-NE 3.16Å; D153-R155 IonicContact OD2-NH2 3.2Å; D153-R155 PolarHBondContact OD2-NH2 2.83Å; D153-S170 PolarHBondContact N-O 2.88Å; D153-S170 WeakPolarHBondContact O-CB 3.49Å; D153-N172 HydrophobicContact CB-CB 4.39Å
154	Y	92.4	Very high	90.9	Very high	102 Å²	102	76.7 Å²	76.7	40%	0.4	42%	0.422	S	S	.	.			trans	-112.1	9.2	-178.9	-64.8	-53.2	0	0	0	113.8	C152 R156 R157	C152-Y154 HydrophobicContact CB-CD1 4.3Å; C152-Y154 HydrophobicContact CB-CE1 3.76Å; C152-Y154 HydrophobicContact CB-CE2 4.05Å; C152-Y154 WeakPolarHBondContact O-CD2 3.38Å; C152-Y154 PolarHBondContact O-N 2.82Å; Y154-R156 PolarHBondContact O-N 3.41Å; Y154-R157 WeakPolarHBondContact O-CG 3.02Å
155	R	90.8	Very high	90.9	Very high	169 Å²	169	75 Å²	75	64%	0.638	41%	0.413	S	S	*	.	S	Bend	trans	-64.2	-25	178.6	-67.6	175.5	-63.2	174.8	3.3	112.8	D153 D174	D153-R155 WeakPolarHBondContact OD1-CB 3.38Å; D153-R155 VanDerWaalsContact OD1-CG 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.47Å; D153-R155 IonicContact OD1-CZ 3.53Å; D153-R155 PolarHBondContact OD1-N 3.45Å; D153-R155 IonicContact OD1-NE 2.96Å; D153-R155 PolarHBondContact OD1-NE 2.99Å; D153-R155 IonicContact OD1-NH2 3.36Å; D153-R155 IonicContact OD2-CZ 3.72Å; D153-R155 IonicContact OD2-NE 2.87Å; D153-R155 PolarHBondContact OD2-NE 3.16Å; D153-R155 IonicContact OD2-NH2 3.2Å; D153-R155 PolarHBondContact OD2-NH2 2.83Å; R155-D174 IonicContact CZ-OD2 3Å; R155-D174 IonicContact NH1-OD2 3.56Å; R155-D174 PolarHBondContact NH1-OD2 2.04Å; R155-D174 IonicContact NH2-OD2 3.63Å; R155-D174 PolarHBondContact NH2-OD2 3.3Å
156	R	86.1	Confident	91	Very high	132 Å²	132	74 Å²	74	50%	0.498	39%	0.391	S	S	.	.	S	Bend	trans	-105.8	104.4	176.1	-57.6	-179.6	-174.2	-132.4	-0.2	109.1	Y154 W166	Y154-R156 PolarHBondContact O-N 3.41Å; R156-W166 HydrophobicContact CB-CB 4.5Å; R156-W166 HydrophobicContact CB-CD2 3.78Å; R156-W166 HydrophobicContact CB-CE3 3.95Å; R156-W166 HydrophobicContact CB-CG 4.04Å
157	R	87.4	Confident	91	Very high	164 Å²	164	72.4 Å²	72.4	62%	0.619	38%	0.38	S	S	*	.			trans	-142.4	154.2	176.1	-74.9	-176.4	176.1	-171.7	2.8	109.6	Y154	Y154-R157 WeakPolarHBondContact O-CG 3.02Å
158	G	87.8	Confident	91.1	Very high	30 Å²	30	74.9 Å²	74.9	31%	0.309	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.8	-162.7	177.9	0	0	0	0	0	113.5	G160 H165 W166	G158-G160 PolarHBondContact O-N 2.91Å; G158-H165 WeakPolarHBondContact O-CA 3.34Å; G158-H165 WeakPolarHBondContact O-CB 3.45Å; G158-W166 PolarHBondContact O-N 3.4Å
159	P	89.4	Confident	91.4	Very high	124 Å²	124	69.8 Å²	69.8	81%	0.805	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	126.4	-174.3	-21.6	32.8	0	0	0	111.8
160	G	85.8	Confident	91.6	Very high	29 Å²	29	67.5 Å²	67.5	30%	0.299	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-24.7	174.1	0	0	0	0	0	112.6	G158 W164	G158-G160 PolarHBondContact O-N 2.91Å; G160-W164 VanDerWaalsContact C-CZ2 3.41Å; G160-W164 PolarHBondContact N-O 3.37Å; G160-W164 WeakPolarHBondContact O-CZ2 3.45Å
161	G	89.2	Confident	91.7	Very high	29 Å²	29	67 Å²	67	30%	0.299	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	-168.6	174.7	0	0	0	0	0	110.7	D163 W164	G161-D163 PolarHBondContact O-N 2.94Å; G161-W164 PolarHBondContact N-O 2.99Å; G161-W164 VanDerWaalsContact O-O 3.08Å
162	P	86.4	Confident	91.8	Very high	132 Å²	132	64.4 Å²	64.4	86%	0.857	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-45.4	-177.3	-23.5	33.5	0	0	0	113.5
163	D	89.4	Confident	91.9	Very high	101 Å²	101	64 Å²	64	54%	0.54	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	12.6	-172	-49.9	-40	0	0	0	113	G161 R229	G161-D163 PolarHBondContact O-N 2.94Å; D163-R229 PolarHBondContact O-N 3.42Å
164	W	92.3	Very high	91.9	Very high	49 Å²	49	66 Å²	66	19%	0.186	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	150.7	-178.9	74.9	-80.7	0	0	0	114.5	G160 G161 W166 R229 C231	G160-W164 VanDerWaalsContact C-CZ2 3.41Å; G160-W164 PolarHBondContact N-O 3.37Å; G160-W164 WeakPolarHBondContact O-CZ2 3.45Å; G161-W164 PolarHBondContact N-O 2.99Å; G161-W164 VanDerWaalsContact O-O 3.08Å; W164-W166 HydrophobicContact CH2-CD2 4.23Å; W164-W166 AromaticContact CH2-CE2 3.54Å; W164-W166 HydrophobicContact CH2-CH2 4.27Å; W164-W166 AromaticContact CH2-CZ2 3.58Å; W164-W166 HydrophobicContact CH2-CZ2 3.58Å; W164-W166 AromaticContact CH2-NE1 3.63Å; W164-W166 AromaticContact CZ3-CD2 3.8Å; W164-W166 HydrophobicContact CZ3-CD2 3.8Å; W164-W166 AromaticContact CZ3-CE2 3.6Å; W164-W166 HydrophobicContact CZ3-CE3 4.28Å; W164-W166 HydrophobicContact CZ3-CG 4.13Å; W164-W166 HydrophobicContact CZ3-CH2 4.4Å; W164-W166 AromaticContact CZ3-CZ2 3.95Å; W164-W166 HydrophobicContact CZ3-CZ2 3.95Å; W164-W166 AromaticContact CZ3-NE1 3.79Å; W164-R229 WeakPolarHBondContact CA-O 3.35Å; W164-R229 HydrophobicContact CB-CG 3.42Å; W164-R229 VanDerWaalsContact CB-CG 3.42Å; W164-R229 WeakPolarHBondContact CB-O 3.43Å; W164-C231 HydrophobicContact CE3-CB 3.69Å; W164-C231 HydrophobicContact CZ3-CB 3.79Å
165	H	94.1	Very high	92.2	Very high	71 Å²	71	62.6 Å²	62.6	33%	0.329	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.1	178.1	62.6	80.8	0	0	0	111.9	G158 R229 T230 C231	G158-H165 WeakPolarHBondContact O-CA 3.34Å; G158-H165 WeakPolarHBondContact O-CB 3.45Å; H165-R229 PolarHBondContact N-O 3.24Å; H165-R229 VanDerWaalsContact N-O 3.1Å; H165-T230 PolarHBondContact CE1-OG1 2.82Å; H165-T230 PolarHBondContact NE2-OG1 3.47Å; H165-T230 WeakPolarHBondContact O-CA 3.2Å; H165-C231 PolarHBondContact O-N 2.94Å
166	W	94.8	Very high	92.5	Very high	38 Å²	38	54.5 Å²	54.5	14%	0.144	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.6	167	-69.4	103.5	0	0	0	109.5	R156 G158 W164 Q215 C231 M233	R156-W166 HydrophobicContact CB-CB 4.5Å; R156-W166 HydrophobicContact CB-CD2 3.78Å; R156-W166 HydrophobicContact CB-CE3 3.95Å; R156-W166 HydrophobicContact CB-CG 4.04Å; G158-W166 PolarHBondContact O-N 3.4Å; W164-W166 HydrophobicContact CH2-CD2 4.23Å; W164-W166 AromaticContact CH2-CE2 3.54Å; W164-W166 HydrophobicContact CH2-CH2 4.27Å; W164-W166 AromaticContact CH2-CZ2 3.58Å; W164-W166 HydrophobicContact CH2-CZ2 3.58Å; W164-W166 AromaticContact CH2-NE1 3.63Å; W164-W166 AromaticContact CZ3-CD2 3.8Å; W164-W166 HydrophobicContact CZ3-CD2 3.8Å; W164-W166 AromaticContact CZ3-CE2 3.6Å; W164-W166 HydrophobicContact CZ3-CE3 4.28Å; W164-W166 HydrophobicContact CZ3-CG 4.13Å; W164-W166 HydrophobicContact CZ3-CH2 4.4Å; W164-W166 AromaticContact CZ3-CZ2 3.95Å; W164-W166 HydrophobicContact CZ3-CZ2 3.95Å; W164-W166 AromaticContact CZ3-NE1 3.79Å; W166-Q215 HydrophobicContact CH2-CG 4.31Å; W166-Q215 HydrophobicContact CZ3-CG 4.42Å; W166-C231 WeakPolarHBondContact CA-O 3.1Å; W166-M233 HydrophobicContact CH2-CG 4.19Å; W166-M233 HydrophobicContact CH2-SD 3.77Å; W166-M233 HydrophobicContact CZ3-CG 3.91Å; W166-M233 HydrophobicContact CZ3-SD 3.95Å
167	G	92.6	Very high	93	Very high	20 Å²	20	50.5 Å²	50.5	21%	0.206	30%	0.301	C	S	.	.			trans	-166.5	-165.5	176.3	0	0	0	0	0	111.1	T230 C231 W232	G167-T230 VanDerWaalsContact CA-CG2 3.5Å; G167-C231 PolarHBondContact N-O 3.49Å; G167-C231 VanDerWaalsContact O-O 3.13Å; G167-W232 WeakPolarHBondContact O-CB 3.26Å
168	G	91.9	Very high	93.5	Very high	54 Å²	54	47 Å²	47	56%	0.557	29%	0.293	S	S	*	.	S	Bend	trans	66.4	-155.4	-177	0	0	0	0	0	113.4
169	C	95.3	Very high	94	Very high	40 Å²	40	45.8 Å²	45.8	27%	0.27	28%	0.279	S	S	.	.			trans	-116.9	104	-178.4	173.6	0	0	0	0	109.2	S143 C152	S143-C169 VanDerWaalsContact CA-SG 3.6Å; S143-C169 WeakPolarHBondContact CB-SG 3.45Å; S143-C169 PolarHBondContact O-SG 3.45Å; S143-C169 VanDerWaalsContact O-SG 3.39Å; C152-C169 HydrophobicContact CB-CB 3.91Å; C152-C169 WeakPolarHBondContact CB-SG 3.33Å; C152-C169 WeakPolarHBondContact SG-CB 3.22Å; C152-C169 CovalentContact SG-SG 2.02Å; C152-C169 PolarHBondContact SG-SG 3.05Å
170	S	96.8	Very high	94.3	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.021	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-76.4	141.3	173.7	-63.2	0	0	0	0	110.6	S143 C152 D153 N172 M233	S143-S170 PolarHBondContact OG-O 2.85Å; S143-S170 VanDerWaalsContact OG-O 3.13Å; C152-S170 WeakPolarHBondContact CA-O 3.49Å; D153-S170 PolarHBondContact N-O 2.88Å; D153-S170 WeakPolarHBondContact O-CB 3.49Å; S170-N172 PolarHBondContact O-N 2.91Å; S170-M233 CarbonylContact C-O 3.59Å; S170-M233 VanDerWaalsContact CA-O 3.24Å; S170-M233 WeakPolarHBondContact CA-O 3.35Å; S170-M233 PolarHBondContact OG-N 3.09Å
171	D	97.3	Very high	94.9	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	25%	0.252	C	S	.	.			trans	-64.5	128	175.5	-67.4	-32	0	0	0	111.4	S143 V173 M213 M233 R234 L235	S143-D171 WeakPolarHBondContact CB-OD1 3.35Å; S143-D171 VanDerWaalsContact OG-CA 3.26Å; S143-D171 WeakPolarHBondContact OG-CA 3.18Å; S143-D171 PolarHBondContact OG-OD1 3.36Å; D171-V173 VanDerWaalsContact C-N 3.29Å; D171-V173 PolarHBondContact O-N 3.08Å; D171-M213 HydrophobicContact CB-CE 3.95Å; D171-M213 WeakPolarHBondContact O-CE 3.32Å; D171-M233 PolarHBondContact N-O 2.88Å; D171-R234 IonicContact OD1-CZ 3.77Å; D171-R234 IonicContact OD1-NH1 3.95Å; D171-R234 PolarHBondContact OD1-NH1 2.91Å; D171-R234 WeakPolarHBondContact OD2-CA 3.38Å; D171-R234 WeakPolarHBondContact OD2-CD 3.26Å; D171-R234 IonicContact OD2-CZ 2.73Å; D171-R234 IonicContact OD2-NE 3.65Å; D171-R234 IonicContact OD2-NH1 2.87Å; D171-R234 PolarHBondContact OD2-NH1 3.25Å; D171-L235 HydrophobicContact CB-CD1 3.87Å; D171-L235 HydrophobicContact CB-CG 3.66Å; D171-L235 WeakPolarHBondContact OD2-CB 3.1Å; D171-L235 VanDerWaalsContact OD2-CG 3.29Å; D171-L235 WeakPolarHBondContact OD2-CG 3.4Å; D171-L235 PolarHBondContact OD2-N 3.14Å
172	N	96.8	Very high	95.2	Very high	28 Å²	28	47.8 Å²	47.8	15%	0.15	26%	0.255	C	S	.	.			trans	-83.9	71.6	-176.8	-164.7	-19.2	0	0	0	111.7	A139 C142 T151 D153 S170 D174 F175 G176	A139-N172 WeakPolarHBondContact CB-O 3.41Å; C142-N172 HydrophobicContact CB-CB 4.38Å; T151-N172 VanDerWaalsContact O-CB 3.32Å; T151-N172 WeakPolarHBondContact O-CB 3.39Å; T151-N172 PolarHBondContact O-ND2 3.03Å; D153-N172 HydrophobicContact CB-CB 4.39Å; S170-N172 PolarHBondContact O-N 2.91Å; N172-D174 PolarHBondContact O-N 2.96Å; N172-F175 HydrophobicContact CB-CB 4.34Å; N172-F175 PolarHBondContact O-N 3.06Å; N172-F175 WeakPolarHBondContact OD1-CB 3.22Å; N172-F175 PolarHBondContact OD1-N 2.78Å; N172-F175 VanDerWaalsContact OD1-N 3.14Å; N172-G176 PolarHBondContact O-N 2.94Å
173	V	97.4	Very high	95.6	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.036	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-31	-177.7	79.2	0	0	0	0	112.8	T135 D171 G176 K177 V209 M213 L235	T135-V173 HydrophobicContact CG2-CG2 4.31Å; D171-V173 VanDerWaalsContact C-N 3.29Å; D171-V173 PolarHBondContact O-N 3.08Å; V173-G176 PolarHBondContact O-N 3.43Å; V173-K177 WeakPolarHBondContact O-CB 3.47Å; V173-K177 PolarHBondContact O-N 2.98Å; V173-V209 HydrophobicContact CG2-CG1 4.05Å; V173-M213 HydrophobicContact CB-CE 4.21Å; V173-M213 HydrophobicContact CB-CG 4.4Å; V173-M213 HydrophobicContact CB-SD 3.54Å; V173-M213 VanDerWaalsContact CB-SD 3.54Å; V173-M213 HydrophobicContact CG1-CE 4.39Å; V173-M213 HydrophobicContact CG1-CG 4.31Å; V173-M213 HydrophobicContact CG1-SD 3.23Å; V173-M213 WeakPolarHBondContact CG1-SD 3.33Å; V173-M213 HydrophobicContact CG2-SD 4.27Å; V173-L235 HydrophobicContact CB-CD2 4.31Å; V173-L235 HydrophobicContact CG2-CD2 3.93Å
174	D	96.9	Very high	95.8	Very high	63 Å²	63	36.7 Å²	36.7	34%	0.337	19%	0.189	S	C	.	.	H	α-helix	trans	-68.3	-41.8	-178.3	-76	-18.8	0	0	0	111.1	R155 N172 K177 M178	R155-D174 IonicContact CZ-OD2 3Å; R155-D174 IonicContact NH1-OD2 3.56Å; R155-D174 PolarHBondContact NH1-OD2 2.04Å; R155-D174 IonicContact NH2-OD2 3.63Å; R155-D174 PolarHBondContact NH2-OD2 3.3Å; N172-D174 PolarHBondContact O-N 2.96Å; D174-K177 PolarHBondContact O-N 3.49Å; D174-M178 VanDerWaalsContact O-CB 3.31Å; D174-M178 WeakPolarHBondContact O-CB 3.06Å; D174-M178 PolarHBondContact O-N 3.08Å
175	F	97.2	Very high	95.9	Very high	29 Å²	29	35.5 Å²	35.5	13%	0.127	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-47.2	170.4	-178.9	-90.5	0	0	0	111	V138 C142 C150 N172 K177 M178 F179	V138-F175 HydrophobicContact CG1-CD1 3.77Å; V138-F175 HydrophobicContact CG1-CE1 3.69Å; C142-F175 WeakPolarHBondContact SG-CD1 3.49Å; C150-F175 HydrophobicContact CB-CD1 3.76Å; C150-F175 HydrophobicContact CB-CD2 3.94Å; C150-F175 HydrophobicContact CB-CE1 3.69Å; C150-F175 HydrophobicContact CB-CE2 3.88Å; C150-F175 HydrophobicContact CB-CG 3.88Å; C150-F175 HydrophobicContact CB-CZ 3.75Å; N172-F175 HydrophobicContact CB-CB 4.34Å; N172-F175 PolarHBondContact O-N 3.06Å; N172-F175 WeakPolarHBondContact OD1-CB 3.22Å; N172-F175 PolarHBondContact OD1-N 2.78Å; N172-F175 VanDerWaalsContact OD1-N 3.14Å; F175-K177 VanDerWaalsContact C-N 3.32Å; F175-K177 PolarHBondContact O-N 3.38Å; F175-M178 HydrophobicContact CD2-CE 3.94Å; F175-M178 HydrophobicContact CE2-CE 4.35Å; F175-M178 PolarHBondContact O-N 3.33Å; F175-F179 HydrophobicContact CE1-CB 4.32Å; F175-F179 VanDerWaalsContact O-CB 3.3Å; F175-F179 WeakPolarHBondContact O-CB 3.44Å; F175-F179 PolarHBondContact O-N 3.39Å
176	G	97.4	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.4	-43.6	177.5	0	0	0	0	0	113	N172 V173 S180	N172-G176 PolarHBondContact O-N 2.94Å; V173-G176 PolarHBondContact O-N 3.43Å; G176-S180 WeakPolarHBondContact O-CB 3.46Å; G176-S180 PolarHBondContact O-N 3.22Å
177	K	97.8	Very high	95.3	Very high	47 Å²	47	31.7 Å²	31.7	20%	0.204	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-46.9	178.7	173.2	174.9	176.1	-176.3	0	111.2	T135 V173 D174 F175 S180 R181 E203 R206 M207	T135-K177 HydrophobicContact CG2-CB 4.27Å; V173-K177 WeakPolarHBondContact O-CB 3.47Å; V173-K177 PolarHBondContact O-N 2.98Å; D174-K177 PolarHBondContact O-N 3.49Å; F175-K177 VanDerWaalsContact C-N 3.32Å; F175-K177 PolarHBondContact O-N 3.38Å; K177-S180 PolarHBondContact O-N 2.87Å; K177-R181 WeakPolarHBondContact O-CB 3.49Å; K177-R181 PolarHBondContact O-N 3.2Å; K177-E203 WeakPolarHBondContact CE-OE1 3.27Å; K177-E203 IonicContact NZ-OE1 2.64Å; K177-E203 PolarHBondContact NZ-OE1 2.89Å; K177-R206 HydrophobicContact CG-CB 4.11Å; K177-M207 PolarHBondContact NZ-SD 3.14Å
178	M	97.1	Very high	95.1	Very high	92 Å²	92	31.4 Å²	31.4	45%	0.453	17%	0.167	S	C	.	.	H	α-helix	trans	-62.1	-49.5	178.2	175.5	-103.4	-68.4	0	0	111.2	D174 F175 S180 R181 E182	D174-M178 VanDerWaalsContact O-CB 3.31Å; D174-M178 WeakPolarHBondContact O-CB 3.06Å; D174-M178 PolarHBondContact O-N 3.08Å; F175-M178 HydrophobicContact CD2-CE 3.94Å; F175-M178 HydrophobicContact CE2-CE 4.35Å; F175-M178 PolarHBondContact O-N 3.33Å; M178-S180 PolarHBondContact O-N 3.44Å; M178-R181 WeakPolarHBondContact O-CB 3.31Å; M178-R181 PolarHBondContact O-N 3.41Å; M178-E182 PolarHBondContact O-N 2.8Å
179	F	97.5	Very high	94.7	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.018	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-46.6	177.6	-177.6	-87.9	0	0	0	111.8	L70 I77 I81 V134 V138 F175 R181 E182 F183	L70-F179 HydrophobicContact CB-CE2 4.16Å; L70-F179 HydrophobicContact CB-CZ 4.46Å; I77-F179 HydrophobicContact CB-CZ 4.39Å; I77-F179 HydrophobicContact CD1-CD1 4.42Å; I77-F179 HydrophobicContact CD1-CE1 4.28Å; I77-F179 HydrophobicContact CD1-CE2 4.43Å; I77-F179 HydrophobicContact CD1-CZ 4.3Å; I77-F179 HydrophobicContact CG1-CD1 4.27Å; I77-F179 HydrophobicContact CG1-CD2 4.35Å; I77-F179 HydrophobicContact CG1-CE1 3.66Å; I77-F179 HydrophobicContact CG1-CE2 3.74Å; I77-F179 HydrophobicContact CG1-CZ 3.38Å; I77-F179 HydrophobicContact CG2-CE2 4.48Å; I77-F179 HydrophobicContact CG2-CZ 4.08Å; I81-F179 HydrophobicContact CD1-CE1 3.66Å; I81-F179 HydrophobicContact CD1-CZ 3.86Å; I81-F179 HydrophobicContact CG1-CE1 3.97Å; V134-F179 HydrophobicContact CG1-CD1 4.49Å; V138-F179 HydrophobicContact CG1-CB 4.33Å; V138-F179 HydrophobicContact CG1-CD1 4.31Å; V138-F179 HydrophobicContact CG1-CG 4.4Å; V138-F179 HydrophobicContact CG2-CD1 3.96Å; V138-F179 HydrophobicContact CG2-CE1 4.29Å; F175-F179 HydrophobicContact CE1-CB 4.32Å; F175-F179 VanDerWaalsContact O-CB 3.3Å; F175-F179 WeakPolarHBondContact O-CB 3.44Å; F175-F179 PolarHBondContact O-N 3.39Å; F179-R181 VanDerWaalsContact C-N 3.3Å; F179-R181 PolarHBondContact O-N 3.5Å; F179-E182 PolarHBondContact O-N 3.15Å; F179-F183 HydrophobicContact CD1-CB 4.3Å; F179-F183 HydrophobicContact CE1-CB 3.86Å; F179-F183 HydrophobicContact CE1-CD2 4.28Å; F179-F183 HydrophobicContact CE1-CG 4.08Å; F179-F183 HydrophobicContact CZ-CB 4.2Å; F179-F183 HydrophobicContact CZ-CD2 4.09Å; F179-F183 HydrophobicContact CZ-CG 4.32Å; F179-F183 VanDerWaalsContact O-CB 3.26Å; F179-F183 WeakPolarHBondContact O-CB 3.27Å; F179-F183 PolarHBondContact O-N 3.01Å
180	S	97.5	Very high	94.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-42.9	177.3	179.5	0	0	0	0	111.3	S131 T135 G176 K177 M178 F183 V184	S131-S180 PolarHBondContact O-OG 3.48Å; S131-S180 VanDerWaalsContact O-OG 3.13Å; S131-S180 PolarHBondContact OG-OG 3.49Å; S131-S180 VanDerWaalsContact OG-OG 3.05Å; T135-S180 WeakPolarHBondContact OG1-CB 3.31Å; T135-S180 PolarHBondContact OG1-OG 3.04Å; G176-S180 WeakPolarHBondContact O-CB 3.46Å; G176-S180 PolarHBondContact O-N 3.22Å; K177-S180 PolarHBondContact O-N 2.87Å; M178-S180 PolarHBondContact O-N 3.44Å; S180-F183 PolarHBondContact O-N 3.41Å; S180-V184 WeakPolarHBondContact O-CB 3.4Å; S180-V184 WeakPolarHBondContact O-CG2 3.47Å; S180-V184 PolarHBondContact O-N 3.48Å
181	R	96.9	Very high	93.5	Very high	143 Å²	143	46 Å²	46	54%	0.54	21%	0.212	S	C	.	.	H	α-helix	trans	-59.3	-49.6	174.8	-172.1	175.9	-171.9	159.9	1.4	111.9	K177 M178 F179 F183 D185	K177-R181 WeakPolarHBondContact O-CB 3.49Å; K177-R181 PolarHBondContact O-N 3.2Å; M178-R181 WeakPolarHBondContact O-CB 3.31Å; M178-R181 PolarHBondContact O-N 3.41Å; F179-R181 VanDerWaalsContact C-N 3.3Å; F179-R181 PolarHBondContact O-N 3.5Å; R181-F183 VanDerWaalsContact C-N 3.33Å; R181-F183 PolarHBondContact O-N 2.86Å; R181-D185 WeakPolarHBondContact CG-OD2 3.26Å; R181-D185 WeakPolarHBondContact O-CB 3.4Å; R181-D185 PolarHBondContact O-N 3.11Å
182	E	95.3	Very high	93	Very high	80 Å²	80	50.7 Å²	50.7	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-67.2	-34.1	-179.7	-66.8	-163.5	161.9	0	0	113.5	L70 M178 F179 S186	L70-E182 HydrophobicContact CD1-CB 3.92Å; L70-E182 WeakPolarHBondContact CD1-O 3.35Å; L70-E182 HydrophobicContact CD2-CB 4.35Å; L70-E182 VanDerWaalsContact CD2-OE2 3.32Å; L70-E182 WeakPolarHBondContact CD2-OE2 3.5Å; M178-E182 PolarHBondContact O-N 2.8Å; F179-E182 PolarHBondContact O-N 3.15Å; E182-S186 VanDerWaalsContact O-CB 3.24Å; E182-S186 WeakPolarHBondContact O-CB 3.26Å; E182-S186 PolarHBondContact O-OG 2.91Å
183	F	94.8	Very high	92.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-83.8	-54.7	-175.7	-175.2	-92.4	0	0	0	112.6	W33 I36 L63 Q67 L70 I71 I81 F179 S180 R181 S186	W33-F183 HydrophobicContact CD2-CE1 4.29Å; W33-F183 HydrophobicContact CE3-CD1 4.48Å; W33-F183 AromaticContact CE3-CE1 3.6Å; W33-F183 HydrophobicContact CE3-CE1 3.6Å; W33-F183 HydrophobicContact CE3-CZ 4.41Å; W33-F183 HydrophobicContact CZ3-CD1 4.32Å; W33-F183 AromaticContact CZ3-CE1 3.72Å; W33-F183 HydrophobicContact CZ3-CE1 3.72Å; I36-F183 HydrophobicContact CD1-CZ 4.23Å; L63-F183 HydrophobicContact CD2-CZ 4.13Å; Q67-F183 HydrophobicContact CB-CD2 4.04Å; Q67-F183 HydrophobicContact CB-CE2 3.57Å; Q67-F183 HydrophobicContact CB-CZ 4.18Å; Q67-F183 HydrophobicContact CG-CD2 3.86Å; Q67-F183 HydrophobicContact CG-CE2 3.7Å; Q67-F183 HydrophobicContact CG-CG 4.37Å; Q67-F183 HydrophobicContact CG-CZ 4.09Å; Q67-F183 PolarHBondContact NE2-O 3.41Å; Q67-F183 VanDerWaalsContact NE2-O 3.09Å; L70-F183 HydrophobicContact CB-CD2 4.46Å; L70-F183 HydrophobicContact CD1-CB 4.09Å; L70-F183 HydrophobicContact CD1-CD2 4.23Å; I71-F183 HydrophobicContact CD1-CE2 3.9Å; I71-F183 HydrophobicContact CD1-CZ 4.44Å; I71-F183 HydrophobicContact CG1-CE2 4.06Å; I81-F183 HydrophobicContact CD1-CD1 4.36Å; I81-F183 HydrophobicContact CD1-CD2 4.12Å; I81-F183 HydrophobicContact CD1-CE1 4.09Å; I81-F183 HydrophobicContact CD1-CE2 3.84Å; I81-F183 HydrophobicContact CD1-CG 4.37Å; I81-F183 HydrophobicContact CD1-CZ 3.82Å; I81-F183 HydrophobicContact CG2-CE1 3.99Å; I81-F183 HydrophobicContact CG2-CZ 4.31Å; F179-F183 HydrophobicContact CD1-CB 4.3Å; F179-F183 HydrophobicContact CE1-CB 3.86Å; F179-F183 HydrophobicContact CE1-CD2 4.28Å; F179-F183 HydrophobicContact CE1-CG 4.08Å; F179-F183 HydrophobicContact CZ-CB 4.2Å; F179-F183 HydrophobicContact CZ-CD2 4.09Å; F179-F183 HydrophobicContact CZ-CG 4.32Å; F179-F183 VanDerWaalsContact O-CB 3.26Å; F179-F183 WeakPolarHBondContact O-CB 3.27Å; F179-F183 PolarHBondContact O-N 3.01Å; S180-F183 PolarHBondContact O-N 3.41Å; R181-F183 VanDerWaalsContact C-N 3.33Å; R181-F183 PolarHBondContact O-N 2.86Å; F183-S186 PolarHBondContact O-OG 3.31Å
184	V	94.1	Very high	92.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-48.3	-176	179	0	0	0	0	110	W33 V134 S180 S186 S187	W33-V184 HydrophobicContact CH2-CG2 3.85Å; W33-V184 HydrophobicContact CZ2-CB 4.34Å; W33-V184 HydrophobicContact CZ2-CG1 3.85Å; W33-V184 HydrophobicContact CZ2-CG2 3.98Å; V134-V184 HydrophobicContact CB-CG2 4.39Å; V134-V184 HydrophobicContact CG1-CG2 4.47Å; V134-V184 HydrophobicContact CG2-CG2 4.29Å; S180-V184 WeakPolarHBondContact O-CB 3.4Å; S180-V184 WeakPolarHBondContact O-CG2 3.47Å; S180-V184 PolarHBondContact O-N 3.48Å; V184-S186 PolarHBondContact O-N 3.41Å; V184-S187 PolarHBondContact O-N 2.81Å; V184-S187 VanDerWaalsContact O-N 3.14Å; V184-S187 PolarHBondContact O-OG 3.42Å
185	D	93.7	Very high	92.1	Very high	24 Å²	24	54 Å²	54	13%	0.128	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-71.6	-17.9	-175.3	-58	-6.7	0	0	0	112	R181 S187 E188 L199 N202 R206	R181-D185 WeakPolarHBondContact CG-OD2 3.26Å; R181-D185 WeakPolarHBondContact O-CB 3.4Å; R181-D185 PolarHBondContact O-N 3.11Å; D185-S187 PolarHBondContact O-N 3.19Å; D185-E188 PolarHBondContact O-N 3.35Å; D185-E188 VanDerWaalsContact O-N 3.1Å; D185-L199 HydrophobicContact CB-CD2 3.5Å; D185-L199 VanDerWaalsContact CB-CD2 3.5Å; D185-L199 VanDerWaalsContact CG-CD2 3.49Å; D185-N202 WeakPolarHBondContact OD1-CB 3.4Å; D185-N202 PolarHBondContact OD1-ND2 2.75Å; D185-R206 IonicContact OD1-CZ 3.03Å; D185-R206 IonicContact OD1-NH1 2.62Å; D185-R206 PolarHBondContact OD1-NH1 3.16Å; D185-R206 IonicContact OD1-NH2 3.8Å; D185-R206 PolarHBondContact OD1-NH2 2.79Å; D185-R206 IonicContact OD2-CZ 3.1Å; D185-R206 IonicContact OD2-NH1 2.95Å; D185-R206 IonicContact OD2-NH2 2.84Å; D185-R206 PolarHBondContact OD2-NH2 2.77Å
186	S	91.4	Very high	91.9	Very high	19 Å²	19	54.2 Å²	54.2	13%	0.133	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-68.7	-15	174.3	75.2	0	0	0	0	114.5	Q67 E182 F183 V184	Q67-S186 WeakPolarHBondContact CG-OG 3.28Å; E182-S186 VanDerWaalsContact O-CB 3.24Å; E182-S186 WeakPolarHBondContact O-CB 3.26Å; E182-S186 PolarHBondContact O-OG 2.91Å; F183-S186 PolarHBondContact O-OG 3.31Å; V184-S186 PolarHBondContact O-N 3.41Å
187	S	86	Confident	91.7	Very high	10 Å²	10	54.3 Å²	54.3	7%	0.07	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-78.1	-25.4	170.8	68.8	0	0	0	0	112.6	W33 V184 D185	W33-S187 VanDerWaalsContact CD1-CB 3.49Å; W33-S187 PolarHBondContact NE1-OG 3.34Å; V184-S187 PolarHBondContact O-N 2.81Å; V184-S187 VanDerWaalsContact O-N 3.14Å; V184-S187 PolarHBondContact O-OG 3.42Å; D185-S187 PolarHBondContact O-N 3.19Å
188	E	87.8	Confident	91.6	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.065	24%	0.239	C	C	.	.			trans	-79.9	131.6	-177.9	-57.7	-49.3	111.4	0	0	110.4	D185 Y195 N198 L199	D185-E188 PolarHBondContact O-N 3.35Å; D185-E188 VanDerWaalsContact O-N 3.1Å; E188-Y195 HydrophobicContact CB-CD2 3.84Å; E188-Y195 HydrophobicContact CB-CE2 3.9Å; E188-N198 HydrophobicContact CG-CB 4.24Å; E188-N198 PolarHBondContact OE2-ND2 3.35Å; E188-L199 HydrophobicContact CB-CD2 4.25Å; E188-L199 HydrophobicContact CG-CD2 4.4Å
189	R	83.6	Confident	91.5	Very high	173 Å²	173	49.6 Å²	49.6	65%	0.653	23%	0.226	S	C	*	.			trans	-132.5	150.5	-178.5	-65.8	-178.3	178.7	165.7	-2.2	110.5
190	G	84.1	Confident	91.4	Very high	43 Å²	43	51.2 Å²	51.2	44%	0.443	23%	0.234	S	C	.	.	S	Bend	trans	107.8	-170.5	176.8	0	0	0	0	0	112.4	Y195	G190-Y195 VanDerWaalsContact O-CD1 3.3Å; G190-Y195 WeakPolarHBondContact O-CD1 3.33Å; G190-Y195 WeakPolarHBondContact O-CE1 3.38Å
191	R	82.9	Confident	91.4	Very high	186 Å²	186	51.3 Å²	51.3	70%	0.702	23%	0.234	S	C	*	.	S	Bend	trans	-135.9	22.7	175.6	-61.6	-177.7	178.9	175.8	-0.5	111	Y257 R272	R191-Y257 PolarHBondContact O-OH 2.7Å; R191-R272 PolarHBondContact O-NH1 2.71Å; R191-R272 VanDerWaalsContact O-NH1 3.08Å
192	D	87.4	Confident	91.5	Very high	102 Å²	102	44.5 Å²	44.5	55%	0.545	21%	0.209	S	C	.	.	S	Bend	trans	-85.1	169	-172.5	-61.6	-19.4	0	0	0	111.4	R194 Y195 L196 Y257	D192-R194 PolarHBondContact O-N 3.1Å; D192-Y195 WeakPolarHBondContact O-CA 3.47Å; D192-Y195 VanDerWaalsContact O-CB 3.32Å; D192-Y195 WeakPolarHBondContact O-CB 3.4Å; D192-Y195 PolarHBondContact O-N 3.25Å; D192-L196 PolarHBondContact O-N 3.41Å; D192-Y257 WeakPolarHBondContact CA-OH 3.4Å
193	L	89.7	Confident	91.6	Very high	26 Å²	26	42.2 Å²	42.2	14%	0.136	20%	0.198	C	C	.	.	H	α-helix	trans	-59.5	-37.6	-179.2	-174.1	58.6	0	0	0	110.5	L196 T197 Y257 L274 F292	L193-L196 PolarHBondContact O-N 3.07Å; L193-T197 VanDerWaalsContact O-CB 3.22Å; L193-T197 WeakPolarHBondContact O-CB 3.03Å; L193-T197 PolarHBondContact O-N 3.33Å; L193-T197 PolarHBondContact O-OG1 3.29Å; L193-Y257 HydrophobicContact CB-CD2 4.19Å; L193-Y257 HydrophobicContact CB-CE1 4.26Å; L193-Y257 HydrophobicContact CB-CE2 3.61Å; L193-Y257 HydrophobicContact CD1-CD1 4.2Å; L193-Y257 HydrophobicContact CD1-CD2 4.3Å; L193-Y257 HydrophobicContact CD1-CE1 4.33Å; L193-Y257 HydrophobicContact CD1-CE2 4.47Å; L193-Y257 HydrophobicContact CD1-CG 4.22Å; L193-Y257 HydrophobicContact CD2-CD2 4.49Å; L193-Y257 HydrophobicContact CG-CE2 4.45Å; L193-Y257 PolarHBondContact N-OH 3.2Å; L193-L274 HydrophobicContact CD1-CD2 3.5Å; L193-F292 HydrophobicContact CD2-CB 3.54Å; L193-F292 HydrophobicContact CD2-CD1 4.19Å; L193-F292 HydrophobicContact CD2-CD2 3.85Å; L193-F292 HydrophobicContact CD2-CG 3.6Å; L193-F292 HydrophobicContact CG-CB 4.16Å; L193-F292 HydrophobicContact CG-CD1 3.97Å; L193-F292 HydrophobicContact CG-CD2 4.37Å; L193-F292 HydrophobicContact CG-CG 3.91Å
194	R	91.4	Very high	91.7	Very high	75 Å²	75	42.2 Å²	42.2	28%	0.283	20%	0.198	S	C	.	.	H	α-helix	trans	-58.4	-46.3	172.5	-173.7	175.6	-66.3	119.3	5.3	112.2	N117 D192 T197 N198 F292 E293	N117-R194 PolarHBondContact O-NE 3.24Å; N117-R194 PolarHBondContact O-NH2 3.05Å; D192-R194 PolarHBondContact O-N 3.1Å; R194-T197 PolarHBondContact O-N 2.89Å; R194-N198 VanDerWaalsContact O-CB 3.31Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.48Å; R194-N198 PolarHBondContact O-OD1 2.78Å; R194-F292 HydrophobicContact CB-CE1 4.07Å; R194-F292 HydrophobicContact CB-CZ 3.81Å; R194-F292 HydrophobicContact CG-CE1 4.49Å; R194-F292 HydrophobicContact CG-CZ 4.32Å; R194-E293 IonicContact NH2-OE1 3.41Å
195	Y	91.3	Very high	91.9	Very high	66 Å²	66	42.2 Å²	42.2	26%	0.259	20%	0.198	S	C	.	.	H	α-helix	trans	-60.7	-48.4	178.8	171	-98.6	0	0	0	111	E188 G190 D192 N198 L199	E188-Y195 HydrophobicContact CB-CD2 3.84Å; E188-Y195 HydrophobicContact CB-CE2 3.9Å; G190-Y195 VanDerWaalsContact O-CD1 3.3Å; G190-Y195 WeakPolarHBondContact O-CD1 3.33Å; G190-Y195 WeakPolarHBondContact O-CE1 3.38Å; D192-Y195 WeakPolarHBondContact O-CA 3.47Å; D192-Y195 VanDerWaalsContact O-CB 3.32Å; D192-Y195 WeakPolarHBondContact O-CB 3.4Å; D192-Y195 PolarHBondContact O-N 3.25Å; Y195-N198 PolarHBondContact O-N 2.73Å; Y195-L199 HydrophobicContact CD1-CD1 4.16Å; Y195-L199 HydrophobicContact CE1-CD1 3.51Å; Y195-L199 HydrophobicContact CE1-CG 4.44Å; Y195-L199 HydrophobicContact CE2-CD1 3.94Å; Y195-L199 HydrophobicContact CE2-CG 4.26Å; Y195-L199 WeakPolarHBondContact O-CG 3.02Å; Y195-L199 PolarHBondContact O-N 3.24Å
196	L	92.3	Very high	92.1	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-43.9	178.2	-63.7	176.3	0	0	0	112.3	D192 L193 L199 H200 Y257 R272 L274	D192-L196 PolarHBondContact O-N 3.41Å; L193-L196 PolarHBondContact O-N 3.07Å; L196-L199 PolarHBondContact O-N 3.23Å; L196-H200 WeakPolarHBondContact O-CB 3.32Å; L196-H200 PolarHBondContact O-N 2.04Å; L196-Y257 HydrophobicContact CD1-CD1 4.18Å; L196-Y257 HydrophobicContact CD1-CE1 3.76Å; L196-R272 HydrophobicContact CD1-CB 3.9Å; L196-L274 HydrophobicContact CB-CD1 4.48Å; L196-L274 HydrophobicContact CB-CD2 3.93Å; L196-L274 HydrophobicContact CB-CG 4.37Å; L196-L274 HydrophobicContact CD1-CD2 4.34Å
197	T	93.8	Very high	92.5	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-46	177.6	-61.1	0	0	0	0	111.1	L193 R194 H200 N201 V290 F292	L193-T197 VanDerWaalsContact O-CB 3.22Å; L193-T197 WeakPolarHBondContact O-CB 3.03Å; L193-T197 PolarHBondContact O-N 3.33Å; L193-T197 PolarHBondContact O-OG1 3.29Å; R194-T197 PolarHBondContact O-N 2.89Å; T197-H200 PolarHBondContact O-N 2.91Å; T197-N201 WeakPolarHBondContact O-CB 3.05Å; T197-N201 VanDerWaalsContact O-CG 3.27Å; T197-N201 PolarHBondContact O-N 3.33Å; T197-N201 PolarHBondContact O-ND2 3.04Å; T197-V290 HydrophobicContact CG2-CG2 4.01Å; T197-V290 VanDerWaalsContact CG2-O 3.26Å; T197-V290 WeakPolarHBondContact CG2-O 3.43Å; T197-F292 HydrophobicContact CG2-CD1 4.01Å; T197-F292 HydrophobicContact CG2-CE1 4.19Å; T197-F292 WeakPolarHBondContact OG1-CD1 3.3Å
198	N	94.8	Very high	93	Very high	3 Å²	3	42 Å²	42	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-64	-44.5	179.3	-71	-2.1	0	0	0	111.5	F127 E188 R194 Y195 H200 N201 N202	F127-N198 HydrophobicContact CD1-CB 4.16Å; F127-N198 HydrophobicContact CE1-CB 4.08Å; F127-N198 HydrophobicContact CZ-CB 4.39Å; F127-N198 VanDerWaalsContact CZ-ND2 3.33Å; F127-N198 WeakPolarHBondContact CZ-ND2 3.38Å; E188-N198 HydrophobicContact CG-CB 4.24Å; E188-N198 PolarHBondContact OE2-ND2 3.35Å; R194-N198 VanDerWaalsContact O-CB 3.31Å; R194-N198 WeakPolarHBondContact O-CB 3.41Å; R194-N198 PolarHBondContact O-N 3.48Å; R194-N198 PolarHBondContact O-OD1 2.78Å; Y195-N198 PolarHBondContact O-N 2.73Å; N198-H200 PolarHBondContact O-N 2.85Å; N198-N201 PolarHBondContact O-N 3.39Å; N198-N202 WeakPolarHBondContact O-CB 3.48Å; N198-N202 PolarHBondContact O-N 2.89Å; N198-N202 PolarHBondContact O-ND2 2.78Å; N198-N202 PolarHBondContact O-OD1 2.85Å
199	L	94.8	Very high	93.5	Very high	37 Å²	37	41.3 Å²	41.3	19%	0.194	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-41.4	175.8	-70.6	-174	0	0	0	112.7	D185 E188 Y195 L196 N202 E203	D185-L199 HydrophobicContact CB-CD2 3.5Å; D185-L199 VanDerWaalsContact CB-CD2 3.5Å; D185-L199 VanDerWaalsContact CG-CD2 3.49Å; E188-L199 HydrophobicContact CB-CD2 4.25Å; E188-L199 HydrophobicContact CG-CD2 4.4Å; Y195-L199 HydrophobicContact CD1-CD1 4.16Å; Y195-L199 HydrophobicContact CE1-CD1 3.51Å; Y195-L199 HydrophobicContact CE1-CG 4.44Å; Y195-L199 HydrophobicContact CE2-CD1 3.94Å; Y195-L199 HydrophobicContact CE2-CG 4.26Å; Y195-L199 WeakPolarHBondContact O-CG 3.02Å; Y195-L199 PolarHBondContact O-N 3.24Å; L196-L199 PolarHBondContact O-N 3.23Å; L199-N202 PolarHBondContact O-N 3.46Å; L199-E203 PolarHBondContact O-N 3.05Å
200	H	95.9	Very high	94.1	Very high	38 Å²	38	34.7 Å²	34.7	18%	0.176	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-49.1	176.5	-178	97.8	0	0	0	111.1	L196 T197 N198 N202 E203 A204 L274 S285 D288 V290	L196-H200 WeakPolarHBondContact O-CB 3.32Å; L196-H200 PolarHBondContact O-N 2.04Å; T197-H200 PolarHBondContact O-N 2.91Å; N198-H200 PolarHBondContact O-N 2.85Å; H200-N202 PolarHBondContact O-N 2.86Å; H200-E203 PolarHBondContact O-N 3.09Å; H200-E203 VanDerWaalsContact O-N 3.15Å; H200-A204 PolarHBondContact O-N 3.41Å; H200-L274 HydrophobicContact CB-CD1 4.03Å; H200-S285 PolarHBondContact CE1-O 3.18Å; H200-S285 PolarHBondContact NE2-O 2.85Å; H200-D288 PolarHBondContact CD2-O 2.87Å; H200-D288 PolarHBondContact NE2-O 3.21Å; H200-V290 HydrophobicContact CB-CG2 3.95Å; H200-V290 WeakPolarHBondContact CD2-CG2 3.17Å
201	N	97.7	Very high	94.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-37.4	179.9	-68.8	-35.3	0	0	0	112.5	A124 F127 A128 T197 N198 E203 A204 G205 L289 V290	A124-N201 WeakPolarHBondContact CA-ND2 3.32Å; A124-N201 WeakPolarHBondContact CB-ND2 3.29Å; F127-N201 HydrophobicContact CB-CB 4.14Å; A128-N201 VanDerWaalsContact CA-O 3.26Å; A128-N201 WeakPolarHBondContact CA-O 3.43Å; A128-N201 VanDerWaalsContact CB-O 3.31Å; A128-N201 WeakPolarHBondContact CB-O 3.21Å; T197-N201 WeakPolarHBondContact O-CB 3.05Å; T197-N201 VanDerWaalsContact O-CG 3.27Å; T197-N201 PolarHBondContact O-N 3.33Å; T197-N201 PolarHBondContact O-ND2 3.04Å; N198-N201 PolarHBondContact O-N 3.39Å; N201-E203 VanDerWaalsContact C-N 3.34Å; N201-A204 PolarHBondContact O-N 2.9Å; N201-G205 PolarHBondContact O-N 3.28Å; N201-G205 VanDerWaalsContact O-N 3.07Å; N201-L289 HydrophobicContact CB-CD2 4.39Å; N201-L289 WeakPolarHBondContact OD1-CA 3.42Å; N201-V290 PolarHBondContact ND2-O 3.09Å; N201-V290 PolarHBondContact OD1-N 2.81Å; N201-V290 PolarHBondContact OD1-O 2.73Å
202	N	97.7	Very high	95.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.3	-47.2	171.7	-71.2	-18.3	0	0	0	110.8	F127 S131 D185 N198 L199 H200 A204 G205 R206	F127-N202 WeakPolarHBondContact CB-OD1 3.46Å; F127-N202 WeakPolarHBondContact CD1-OD1 3.15Å; F127-N202 PolarHBondContact O-OD1 3.46Å; S131-N202 WeakPolarHBondContact CB-O 3.07Å; S131-N202 PolarHBondContact OG-O 3.15Å; D185-N202 WeakPolarHBondContact OD1-CB 3.4Å; D185-N202 PolarHBondContact OD1-ND2 2.75Å; N198-N202 WeakPolarHBondContact O-CB 3.48Å; N198-N202 PolarHBondContact O-N 2.89Å; N198-N202 PolarHBondContact O-ND2 2.78Å; N198-N202 PolarHBondContact O-OD1 2.85Å; L199-N202 PolarHBondContact O-N 3.46Å; H200-N202 PolarHBondContact O-N 2.86Å; N202-A204 PolarHBondContact O-N 3.4Å; N202-G205 PolarHBondContact O-N 3.37Å; N202-R206 WeakPolarHBondContact O-CG 3.32Å; N202-R206 PolarHBondContact O-N 3.12Å; N202-R206 VanDerWaalsContact O-N 3.1Å
203	E	97.6	Very high	95.7	Very high	33 Å²	33	25.3 Å²	25.3	15%	0.154	13%	0.127	C	C	.	.	H	α-helix	trans	-62.8	-41.6	177.9	-173.4	61.3	-168	0	0	112.1	K177 L199 H200 N201 G205 R206 M207	K177-E203 WeakPolarHBondContact CE-OE1 3.27Å; K177-E203 IonicContact NZ-OE1 2.64Å; K177-E203 PolarHBondContact NZ-OE1 2.89Å; L199-E203 PolarHBondContact O-N 3.05Å; H200-E203 PolarHBondContact O-N 3.09Å; H200-E203 VanDerWaalsContact O-N 3.15Å; N201-E203 VanDerWaalsContact C-N 3.34Å; E203-G205 VanDerWaalsContact C-N 3.28Å; E203-G205 PolarHBondContact O-N 2.91Å; E203-R206 PolarHBondContact O-N 3.42Å; E203-R206 VanDerWaalsContact O-N 3.08Å; E203-R206 IonicContact OE2-CZ 3.25Å; E203-R206 IonicContact OE2-NE 2.71Å; E203-R206 PolarHBondContact OE2-NE 2.9Å; E203-R206 IonicContact OE2-NH2 3.24Å; E203-R206 PolarHBondContact OE2-NH2 3.28Å; E203-M207 HydrophobicContact CG-CG 4.03Å; E203-M207 WeakPolarHBondContact O-CB 3.36Å; E203-M207 VanDerWaalsContact O-CG 3.27Å; E203-M207 WeakPolarHBondContact O-CG 3.39Å; E203-M207 PolarHBondContact O-N 2.81Å
204	A	98.2	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.1	-41.8	175	0	0	0	0	0	112.2	H200 N201 N202 M207 T208 S286 L289	H200-A204 PolarHBondContact O-N 3.41Å; N201-A204 PolarHBondContact O-N 2.9Å; N202-A204 PolarHBondContact O-N 3.4Å; A204-M207 PolarHBondContact O-N 3.24Å; A204-T208 WeakPolarHBondContact O-CB 3.35Å; A204-T208 PolarHBondContact O-N 3.41Å; A204-T208 PolarHBondContact O-OG1 3.38Å; A204-S286 WeakPolarHBondContact CA-O 3.19Å; A204-S286 WeakPolarHBondContact CB-O 3.27Å; A204-S286 PolarHBondContact N-O 3.48Å; A204-L289 HydrophobicContact CB-CD2 3.89Å
205	G	98.3	Very high	96.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.5	-47.9	172.2	0	0	0	0	0	113.3	A128 A132 N201 N202 E203 T208 V209	A128-G205 WeakPolarHBondContact O-CA 3.4Å; A132-G205 WeakPolarHBondContact CB-O 3.1Å; N201-G205 PolarHBondContact O-N 3.28Å; N201-G205 VanDerWaalsContact O-N 3.07Å; N202-G205 PolarHBondContact O-N 3.37Å; E203-G205 VanDerWaalsContact C-N 3.28Å; E203-G205 PolarHBondContact O-N 2.91Å; G205-T208 PolarHBondContact O-N 3.18Å; G205-V209 PolarHBondContact O-N 2.84Å
206	R	98.4	Very high	96.3	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-42.1	179.1	-61.4	-174.1	-78.9	-104	7.2	112.4	S131 T135 K177 D185 N202 E203 T208 V209 S210	S131-R206 VanDerWaalsContact OG-CG 3.27Å; S131-R206 WeakPolarHBondContact OG-CG 3.44Å; S131-R206 PolarHBondContact OG-NH1 2.72Å; S131-R206 VanDerWaalsContact OG-NH1 3.09Å; T135-R206 WeakPolarHBondContact OG1-CG 3.31Å; K177-R206 HydrophobicContact CG-CB 4.11Å; D185-R206 IonicContact OD1-CZ 3.03Å; D185-R206 IonicContact OD1-NH1 2.62Å; D185-R206 PolarHBondContact OD1-NH1 3.16Å; D185-R206 IonicContact OD1-NH2 3.8Å; D185-R206 PolarHBondContact OD1-NH2 2.79Å; D185-R206 IonicContact OD2-CZ 3.1Å; D185-R206 IonicContact OD2-NH1 2.95Å; D185-R206 IonicContact OD2-NH2 2.84Å; D185-R206 PolarHBondContact OD2-NH2 2.77Å; N202-R206 WeakPolarHBondContact O-CG 3.32Å; N202-R206 PolarHBondContact O-N 3.12Å; N202-R206 VanDerWaalsContact O-N 3.1Å; E203-R206 PolarHBondContact O-N 3.42Å; E203-R206 VanDerWaalsContact O-N 3.08Å; E203-R206 IonicContact OE2-CZ 3.25Å; E203-R206 IonicContact OE2-NE 2.71Å; E203-R206 PolarHBondContact OE2-NE 2.9Å; E203-R206 IonicContact OE2-NH2 3.24Å; E203-R206 PolarHBondContact OE2-NH2 3.28Å; R206-T208 VanDerWaalsContact C-N 3.34Å; R206-V209 PolarHBondContact O-N 3.47Å; R206-S210 PolarHBondContact O-N 3.43Å
207	M	97.8	Very high	96.4	Very high	41 Å²	41	32.4 Å²	32.4	20%	0.202	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-42.4	178.5	-72.8	-59.2	-56	0	0	111.3	K177 E203 A204 V209 S210 S211 M287	K177-M207 PolarHBondContact NZ-SD 3.14Å; E203-M207 HydrophobicContact CG-CG 4.03Å; E203-M207 WeakPolarHBondContact O-CB 3.36Å; E203-M207 VanDerWaalsContact O-CG 3.27Å; E203-M207 WeakPolarHBondContact O-CG 3.39Å; E203-M207 PolarHBondContact O-N 2.81Å; A204-M207 PolarHBondContact O-N 3.24Å; M207-V209 VanDerWaalsContact C-N 3.3Å; M207-V209 PolarHBondContact O-N 3.02Å; M207-S210 PolarHBondContact O-N 3.42Å; M207-S210 VanDerWaalsContact O-N 3.11Å; M207-S211 WeakPolarHBondContact O-CB 3.44Å; M207-S211 PolarHBondContact O-N 2.89Å; M207-S211 PolarHBondContact O-OG 2.82Å; M207-M287 HydrophobicContact CB-CG 3.74Å
208	T	97.9	Very high	96.4	Very high	6 Å²	6	38.1 Å²	38.1	4%	0.037	19%	0.189	C	C	.	.	H	α-helix	trans	-58.4	-41.7	177.7	-56.2	0	0	0	0	111.8	A204 G205 R206 S210 S211 E212 V241 F244 L245	A204-T208 WeakPolarHBondContact O-CB 3.35Å; A204-T208 PolarHBondContact O-N 3.41Å; A204-T208 PolarHBondContact O-OG1 3.38Å; G205-T208 PolarHBondContact O-N 3.18Å; R206-T208 VanDerWaalsContact C-N 3.34Å; T208-S210 VanDerWaalsContact C-N 3.35Å; T208-S210 PolarHBondContact O-N 2.99Å; T208-S211 PolarHBondContact O-OG 3.26Å; T208-E212 VanDerWaalsContact O-CB 3.31Å; T208-E212 WeakPolarHBondContact O-CB 3.33Å; T208-E212 VanDerWaalsContact O-CG 3.27Å; T208-E212 WeakPolarHBondContact O-CG 3.45Å; T208-E212 PolarHBondContact O-N 3.12Å; T208-V241 HydrophobicContact CG2-CG1 4.2Å; T208-F244 HydrophobicContact CG2-CB 3.79Å; T208-L245 HydrophobicContact CG2-CD2 4.35Å; T208-L245 HydrophobicContact CG2-CG 4.26Å; T208-L245 WeakPolarHBondContact OG1-CD2 3.41Å
209	V	97.9	Very high	96.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-39.6	177.2	178.7	0	0	0	0	111.7	A132 T135 H136 V173 G205 R206 M207 L235 V241	A132-V209 HydrophobicContact CB-CG2 3.71Å; T135-V209 HydrophobicContact CG2-CB 4.12Å; T135-V209 HydrophobicContact CG2-CG1 4Å; H136-V209 HydrophobicContact CB-CG1 4.21Å; H136-V209 HydrophobicContact CB-CG2 4.49Å; V173-V209 HydrophobicContact CG2-CG1 4.05Å; G205-V209 PolarHBondContact O-N 2.84Å; R206-V209 PolarHBondContact O-N 3.47Å; M207-V209 VanDerWaalsContact C-N 3.3Å; M207-V209 PolarHBondContact O-N 3.02Å; V209-L235 HydrophobicContact CG1-CD2 3.56Å; V209-V241 HydrophobicContact CG2-CG1 3.93Å; V209-V241 HydrophobicContact CG2-CG2 4.27Å
210	S	96.7	Very high	96.2	Very high	33 Å²	33	42.9 Å²	42.9	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-74.3	-38.8	-178.2	178.4	0	0	0	0	113	R206 M207 T208 E212	R206-S210 PolarHBondContact O-N 3.43Å; M207-S210 PolarHBondContact O-N 3.42Å; M207-S210 VanDerWaalsContact O-N 3.11Å; T208-S210 VanDerWaalsContact C-N 3.35Å; T208-S210 PolarHBondContact O-N 2.99Å; S210-E212 VanDerWaalsContact C-N 3.35Å
211	S	96.4	Very high	95.8	Very high	59 Å²	59	41.7 Å²	41.7	41%	0.413	21%	0.211	S	C	.	.	H	α-helix	trans	-71.4	-31.5	179.4	63	0	0	0	0	112.5	M207 T208 M213	M207-S211 WeakPolarHBondContact O-CB 3.44Å; M207-S211 PolarHBondContact O-N 2.89Å; M207-S211 PolarHBondContact O-OG 2.82Å; T208-S211 PolarHBondContact O-OG 3.26Å; S211-M213 VanDerWaalsContact C-N 3.31Å; S211-M213 PolarHBondContact O-N 3.39Å
212	E	96.4	Very high	95.5	Very high	43 Å²	43	49.7 Å²	49.7	20%	0.201	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	13.4	-176.7	-66.3	-54.5	129.8	0	0	114	T208 S210 R214 P236 F244	T208-E212 VanDerWaalsContact O-CB 3.31Å; T208-E212 WeakPolarHBondContact O-CB 3.33Å; T208-E212 VanDerWaalsContact O-CG 3.27Å; T208-E212 WeakPolarHBondContact O-CG 3.45Å; T208-E212 PolarHBondContact O-N 3.12Å; S210-E212 VanDerWaalsContact C-N 3.35Å; E212-R214 WeakPolarHBondContact O-CG 3.33Å; E212-P236 HydrophobicContact CB-CB 4.29Å; E212-P236 HydrophobicContact CB-CG 3.82Å; E212-P236 WeakPolarHBondContact O-CD 3.4Å; E212-F244 VanDerWaalsContact CD-CZ 3.48Å; E212-F244 HydrophobicContact CG-CD2 3.72Å; E212-F244 HydrophobicContact CG-CE2 3.66Å; E212-F244 HydrophobicContact CG-CG 4.48Å; E212-F244 HydrophobicContact CG-CZ 4.35Å; E212-F244 WeakPolarHBondContact OE2-CE2 3.45Å; E212-F244 WeakPolarHBondContact OE2-CZ 3.14Å
213	M	95.6	Very high	95	Very high	33 Å²	33	56 Å²	56	16%	0.163	29%	0.294	C	S	.	.			trans	-63.1	141.4	171.6	-70.8	-162	85.9	0	0	111.3	D171 V173 S211 M233	D171-M213 HydrophobicContact CB-CE 3.95Å; D171-M213 WeakPolarHBondContact O-CE 3.32Å; V173-M213 HydrophobicContact CB-CE 4.21Å; V173-M213 HydrophobicContact CB-CG 4.4Å; V173-M213 HydrophobicContact CB-SD 3.54Å; V173-M213 VanDerWaalsContact CB-SD 3.54Å; V173-M213 HydrophobicContact CG1-CE 4.39Å; V173-M213 HydrophobicContact CG1-CG 4.31Å; V173-M213 HydrophobicContact CG1-SD 3.23Å; V173-M213 WeakPolarHBondContact CG1-SD 3.33Å; V173-M213 HydrophobicContact CG2-SD 4.27Å; S211-M213 VanDerWaalsContact C-N 3.31Å; S211-M213 PolarHBondContact O-N 3.39Å; M213-M233 HydrophobicContact CB-CE 3.69Å; M213-M233 HydrophobicContact CE-CB 3.78Å
214	R	95.6	Very high	94.4	Very high	124 Å²	124	57.1 Å²	57.1	47%	0.468	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.9	-175.9	-58.2	-176.1	-177.4	171.2	-2.4	111.1	E212 E216 R234	E212-R214 WeakPolarHBondContact O-CG 3.33Å; R214-E216 PolarHBondContact O-N 3.33Å; R214-R234 PolarHBondContact N-O 3.22Å; R214-R234 PolarHBondContact O-N 2.92Å
215	Q	94.7	Very high	94.1	Very high	85 Å²	85	59.4 Å²	59.4	40%	0.397	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.9	169.6	-177.8	176.7	-42.9	0	0	108.7	W166 C231 W232 M233	W166-Q215 HydrophobicContact CH2-CG 4.31Å; W166-Q215 HydrophobicContact CZ3-CG 4.42Å; Q215-C231 HydrophobicContact CG-CB 3.78Å; Q215-C231 PolarHBondContact NE2-SG 2.82Å; Q215-C231 VanDerWaalsContact NE2-SG 3.41Å; Q215-W232 WeakPolarHBondContact CA-O 3.06Å; Q215-M233 HydrophobicContact CB-SD 4.13Å
216	E	94.7	Very high	93.8	Very high	89 Å²	89	62.9 Å²	62.9	42%	0.416	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.8	170.4	-72.6	-175.9	174	0	0	109.4	R214 C231 W232 R234	R214-E216 PolarHBondContact O-N 3.33Å; E216-C231 CarbonylContact O-C 3.53Å; E216-C231 WeakPolarHBondContact O-CA 3.09Å; E216-C231 WeakPolarHBondContact O-CB 3.32Å; E216-W232 PolarHBondContact N-O 2.93Å; E216-W232 PolarHBondContact O-N 3.45Å; E216-R234 HydrophobicContact CB-CB 4.34Å; E216-R234 HydrophobicContact CG-CB 3.84Å; E216-R234 HydrophobicContact CG-CG 4.43Å; E216-R234 WeakPolarHBondContact OE2-CG 3.36Å
217	C	94.1	Very high	93.4	Very high	52 Å²	52	67.2 Å²	67.2	35%	0.351	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.8	-177.5	-57.5	0	0	0	0	111.2	R229 T230 C231	C217-R229 HydrophobicContact CB-CB 4.45Å; C217-R229 HydrophobicContact CB-CG 4.44Å; C217-T230 CarbonylContact C-O 3.53Å; C217-T230 VanDerWaalsContact CA-O 3.26Å; C217-T230 WeakPolarHBondContact CA-O 3.12Å; C217-C231 HydrophobicContact CB-CB 4.05Å; C217-C231 WeakPolarHBondContact CB-SG 3.18Å; C217-C231 WeakPolarHBondContact SG-CB 3.31Å; C217-C231 CovalentContact SG-SG 2.04Å; C217-C231 PolarHBondContact SG-SG 2.88Å
218	K	94.3	Very high	93.1	Very high	122 Å²	122	68.6 Å²	68.6	53%	0.53	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.5	169.4	-179.2	173.7	-177.4	178.8	0	110.3	H220 R229 T230 W232	K218-H220 PolarHBondContact O-CD2 2.87Å; K218-H220 VanDerWaalsContact O-CD2 3.29Å; K218-R229 CarbonylContact O-C 3.54Å; K218-R229 WeakPolarHBondContact O-CA 3.34Å; K218-R229 VanDerWaalsContact O-CB 3.31Å; K218-R229 WeakPolarHBondContact O-CB 3.45Å; K218-T230 PolarHBondContact N-O 2.95Å; K218-T230 PolarHBondContact O-N 3.2Å; K218-W232 HydrophobicContact CB-CH2 3.65Å; K218-W232 HydrophobicContact CB-CZ3 3.88Å
219	C	93.9	Very high	92.9	Very high	39 Å²	39	73 Å²	73	26%	0.264	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	139.8	178.9	-61.2	0	0	0	0	111.2	C226	C219-C226 HydrophobicContact CB-CB 3.82Å; C219-C226 WeakPolarHBondContact CB-SG 3.26Å; C219-C226 WeakPolarHBondContact SG-CB 3.29Å; C219-C226 CovalentContact SG-SG 2.03Å; C219-C226 PolarHBondContact SG-SG 2.79Å
220	H	89.8	Confident	92.7	Very high	101 Å²	101	73.7 Å²	73.7	47%	0.468	41%	0.413	S	S	.	.			trans	-125.4	8.9	-174.2	-64.9	-75.5	0	0	0	114	K218 V228 T230	K218-H220 PolarHBondContact O-CD2 2.87Å; K218-H220 VanDerWaalsContact O-CD2 3.29Å; H220-V228 PolarHBondContact N-O 3.43Å; H220-T230 PolarHBondContact CD2-OG1 3.05Å; H220-T230 PolarHBondContact NE2-OG1 3.13Å
221	G	88	Confident	92.7	Very high	13 Å²	13	72.1 Å²	72.1	13%	0.134	40%	0.402	C	S	.	.	S	Bend	trans	-73	164.9	179.1	0	0	0	0	0	113.3	S223 G224 S225	G221-S223 PolarHBondContact O-N 2.96Å; G221-G224 PolarHBondContact O-N 3.46Å; G221-S225 WeakPolarHBondContact CA-O 3.46Å; G221-S225 VanDerWaalsContact CA-OG 3.26Å; G221-S225 WeakPolarHBondContact CA-OG 3.38Å; G221-S225 PolarHBondContact N-O 2.79Å; G221-S225 PolarHBondContact O-N 3.05Å
222	M	91.7	Very high	92.7	Very high	169 Å²	169	72 Å²	72	83%	0.833	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-52.2	133.3	178.6	-167.9	177.2	-73.6	0	0	110.4	G224 S225	M222-G224 PolarHBondContact O-N 3.01Å; M222-S225 PolarHBondContact N-OG 2.84Å; M222-S225 VanDerWaalsContact N-OG 3.16Å; M222-S225 WeakPolarHBondContact O-CB 3.49Å; M222-S225 PolarHBondContact O-N 3.32Å; M222-S225 VanDerWaalsContact O-N 3.14Å; M222-S225 PolarHBondContact O-OG 2.95Å
223	S	87.3	Confident	92.7	Very high	131 Å²	131	71.2 Å²	71.2	92%	0.916	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	55.7	27.1	-176.2	-54.5	0	0	0	0	115.1	G221	G221-S223 PolarHBondContact O-N 2.96Å
224	G	85.8	Confident	92.7	Very high	57 Å²	57	72 Å²	72	59%	0.588	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	85.1	11.7	179.8	0	0	0	0	0	114.5	G221 M222	G221-G224 PolarHBondContact O-N 3.46Å; M222-G224 PolarHBondContact O-N 3.01Å
225	S	91.4	Very high	92.8	Very high	48 Å²	48	66.5 Å²	66.5	34%	0.336	37%	0.37	S	S	.	.			trans	-63	153.4	174.2	55.3	0	0	0	0	112.3	G221 M222	G221-S225 WeakPolarHBondContact CA-O 3.46Å; G221-S225 VanDerWaalsContact CA-OG 3.26Å; G221-S225 WeakPolarHBondContact CA-OG 3.38Å; G221-S225 PolarHBondContact N-O 2.79Å; G221-S225 PolarHBondContact O-N 3.05Å; M222-S225 PolarHBondContact N-OG 2.84Å; M222-S225 VanDerWaalsContact N-OG 3.16Å; M222-S225 WeakPolarHBondContact O-CB 3.49Å; M222-S225 PolarHBondContact O-N 3.32Å; M222-S225 VanDerWaalsContact O-N 3.14Å; M222-S225 PolarHBondContact O-OG 2.95Å
226	C	91.4	Very high	92.9	Very high	74 Å²	74	62.8 Å²	62.8	50%	0.5	35%	0.353	S	S	.	.			trans	-98.7	29.5	-177.4	-65.7	0	0	0	0	113.7	C219 V228	C219-C226 HydrophobicContact CB-CB 3.82Å; C219-C226 WeakPolarHBondContact CB-SG 3.26Å; C219-C226 WeakPolarHBondContact SG-CB 3.29Å; C219-C226 CovalentContact SG-SG 2.03Å; C219-C226 PolarHBondContact SG-SG 2.79Å; C226-V228 VanDerWaalsContact C-N 3.27Å; C226-V228 PolarHBondContact O-N 3.37Å
227	T	90.1	Very high	93.1	Very high	93 Å²	93	61.8 Å²	61.8	57%	0.571	36%	0.356	S	S	*	.	S	Bend	trans	-63.3	-34.4	178.3	52.4	0	0	0	0	112.5
228	V	90.9	Very high	93.2	Very high	70 Å²	70	60.1 Å²	60.1	42%	0.424	34%	0.342	S	S	.	.	S	Bend	trans	-129.3	133.7	167.2	-178.6	0	0	0	0	108	H220 C226	H220-V228 PolarHBondContact N-O 3.43Å; C226-V228 VanDerWaalsContact C-N 3.27Å; C226-V228 PolarHBondContact O-N 3.37Å
229	R	93.6	Very high	93.4	Very high	98 Å²	98	58.6 Å²	58.6	37%	0.37	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.5	175.9	62.6	-173.2	160.4	-177.9	-7	112.6	D163 W164 H165 C217 K218	D163-R229 PolarHBondContact O-N 3.42Å; W164-R229 WeakPolarHBondContact CA-O 3.35Å; W164-R229 HydrophobicContact CB-CG 3.42Å; W164-R229 VanDerWaalsContact CB-CG 3.42Å; W164-R229 WeakPolarHBondContact CB-O 3.43Å; H165-R229 PolarHBondContact N-O 3.24Å; H165-R229 VanDerWaalsContact N-O 3.1Å; C217-R229 HydrophobicContact CB-CB 4.45Å; C217-R229 HydrophobicContact CB-CG 4.44Å; K218-R229 CarbonylContact O-C 3.54Å; K218-R229 WeakPolarHBondContact O-CA 3.34Å; K218-R229 VanDerWaalsContact O-CB 3.31Å; K218-R229 WeakPolarHBondContact O-CB 3.45Å
230	T	94.1	Very high	93.6	Very high	15 Å²	15	57.8 Å²	57.8	9%	0.092	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.1	173	-53	0	0	0	0	108.5	H165 G167 C217 K218 H220 W232	H165-T230 PolarHBondContact CE1-OG1 2.82Å; H165-T230 PolarHBondContact NE2-OG1 3.47Å; H165-T230 WeakPolarHBondContact O-CA 3.2Å; G167-T230 VanDerWaalsContact CA-CG2 3.5Å; C217-T230 CarbonylContact C-O 3.53Å; C217-T230 VanDerWaalsContact CA-O 3.26Å; C217-T230 WeakPolarHBondContact CA-O 3.12Å; K218-T230 PolarHBondContact N-O 2.95Å; K218-T230 PolarHBondContact O-N 3.2Å; H220-T230 PolarHBondContact CD2-OG1 3.05Å; H220-T230 PolarHBondContact NE2-OG1 3.13Å; T230-W232 HydrophobicContact CG2-CE3 4.46Å
231	C	96	Very high	94	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.6	178.3	-50.5	0	0	0	0	112.9	W164 H165 W166 G167 Q215 E216 C217	W164-C231 HydrophobicContact CE3-CB 3.69Å; W164-C231 HydrophobicContact CZ3-CB 3.79Å; H165-C231 PolarHBondContact O-N 2.94Å; W166-C231 WeakPolarHBondContact CA-O 3.1Å; G167-C231 PolarHBondContact N-O 3.49Å; G167-C231 VanDerWaalsContact O-O 3.13Å; Q215-C231 HydrophobicContact CG-CB 3.78Å; Q215-C231 PolarHBondContact NE2-SG 2.82Å; Q215-C231 VanDerWaalsContact NE2-SG 3.41Å; E216-C231 CarbonylContact O-C 3.53Å; E216-C231 WeakPolarHBondContact O-CA 3.09Å; E216-C231 WeakPolarHBondContact O-CB 3.32Å; C217-C231 HydrophobicContact CB-CB 4.05Å; C217-C231 WeakPolarHBondContact CB-SG 3.18Å; C217-C231 WeakPolarHBondContact SG-CB 3.31Å; C217-C231 CovalentContact SG-SG 2.04Å; C217-C231 PolarHBondContact SG-SG 2.88Å
232	W	96.4	Very high	94.5	Very high	55 Å²	55	52.4 Å²	52.4	21%	0.208	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.9	174.6	54.2	90.6	0	0	0	110.7	G167 Q215 E216 K218 T230	G167-W232 WeakPolarHBondContact O-CB 3.26Å; Q215-W232 WeakPolarHBondContact CA-O 3.06Å; E216-W232 PolarHBondContact N-O 2.93Å; E216-W232 PolarHBondContact O-N 3.45Å; K218-W232 HydrophobicContact CB-CH2 3.65Å; K218-W232 HydrophobicContact CB-CZ3 3.88Å; T230-W232 HydrophobicContact CG2-CE3 4.46Å
233	M	96.6	Very high	94.8	Very high	28 Å²	28	47.9 Å²	47.9	14%	0.138	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.4	172.5	-64.3	-58.5	-58.5	0	0	110.2	W166 S170 D171 M213 Q215	W166-M233 HydrophobicContact CH2-CG 4.19Å; W166-M233 HydrophobicContact CH2-SD 3.77Å; W166-M233 HydrophobicContact CZ3-CG 3.91Å; W166-M233 HydrophobicContact CZ3-SD 3.95Å; S170-M233 CarbonylContact C-O 3.59Å; S170-M233 VanDerWaalsContact CA-O 3.24Å; S170-M233 WeakPolarHBondContact CA-O 3.35Å; S170-M233 PolarHBondContact OG-N 3.09Å; D171-M233 PolarHBondContact N-O 2.88Å; M213-M233 HydrophobicContact CB-CE 3.69Å; M213-M233 HydrophobicContact CE-CB 3.78Å; Q215-M233 HydrophobicContact CB-SD 4.13Å
234	R	96.9	Very high	95.4	Very high	49 Å²	49	44.5 Å²	44.5	19%	0.185	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	142.3	179.6	-163.1	75.6	174.7	92.4	26.1	110.7	R140 D171 R214 E216	R140-R234 VanDerWaalsContact NE-NH2 3.18Å; D171-R234 IonicContact OD1-CZ 3.77Å; D171-R234 IonicContact OD1-NH1 3.95Å; D171-R234 PolarHBondContact OD1-NH1 2.91Å; D171-R234 WeakPolarHBondContact OD2-CA 3.38Å; D171-R234 WeakPolarHBondContact OD2-CD 3.26Å; D171-R234 IonicContact OD2-CZ 2.73Å; D171-R234 IonicContact OD2-NE 3.65Å; D171-R234 IonicContact OD2-NH1 2.87Å; D171-R234 PolarHBondContact OD2-NH1 3.25Å; R214-R234 PolarHBondContact N-O 3.22Å; R214-R234 PolarHBondContact O-N 2.92Å; E216-R234 HydrophobicContact CB-CB 4.34Å; E216-R234 HydrophobicContact CG-CB 3.84Å; E216-R234 HydrophobicContact CG-CG 4.43Å; E216-R234 WeakPolarHBondContact OE2-CG 3.36Å
235	L	97.4	Very high	96	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.047	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-62.4	142.9	169.1	-69.8	162.6	0	0	0	110.3	H136 A139 R140 D171 V173 V209	H136-L235 WeakPolarHBondContact O-CD1 3.48Å; A139-L235 HydrophobicContact CB-CD1 3.85Å; A139-L235 HydrophobicContact CB-CD2 4.42Å; R140-L235 HydrophobicContact CB-CD1 3.97Å; D171-L235 HydrophobicContact CB-CD1 3.87Å; D171-L235 HydrophobicContact CB-CG 3.66Å; D171-L235 WeakPolarHBondContact OD2-CB 3.1Å; D171-L235 VanDerWaalsContact OD2-CG 3.29Å; D171-L235 WeakPolarHBondContact OD2-CG 3.4Å; D171-L235 PolarHBondContact OD2-N 3.14Å; V173-L235 HydrophobicContact CB-CD2 4.31Å; V173-L235 HydrophobicContact CG2-CD2 3.93Å; V209-L235 HydrophobicContact CG1-CD2 3.56Å
236	P	97.1	Very high	96.3	Very high	7 Å²	7	40.3 Å²	40.3	5%	0.045	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-65.2	164.9	173.6	31.6	-37.8	0	0	0	111	H136 E212 V241	H136-P236 PolarHBondContact NE2-O 3.18Å; E212-P236 HydrophobicContact CB-CB 4.29Å; E212-P236 HydrophobicContact CB-CG 3.82Å; E212-P236 WeakPolarHBondContact O-CD 3.4Å; P236-V241 HydrophobicContact CG-CG2 3.67Å
237	S	97.4	Very high	96.6	Very high	67 Å²	67	42.4 Å²	42.4	47%	0.469	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-60.3	141.9	166.2	74.6	0	0	0	0	109.5	R239 T240 V241	S237-R239 PolarHBondContact O-N 3.28Å; S237-R239 VanDerWaalsContact O-N 3.16Å; S237-T240 WeakPolarHBondContact O-CB 3.47Å; S237-T240 PolarHBondContact O-N 2.82Å; S237-T240 PolarHBondContact OG-N 2.9Å; S237-T240 PolarHBondContact OG-OG1 2.82Å; S237-V241 PolarHBondContact O-N 3.1Å
238	F	98.1	Very high	96.9	Very high	17 Å²	17	41.9 Å²	41.9	8%	0.075	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-22.9	-178	-159.8	-96.1	0	0	0	112.9	T87 A88 E91 I129 A132 G133 H136 V241 G242	T87-F238 HydrophobicContact CG2-CB 3.86Å; T87-F238 HydrophobicContact CG2-CD1 3.53Å; T87-F238 HydrophobicContact CG2-CD2 4.29Å; T87-F238 HydrophobicContact CG2-CE1 4.14Å; T87-F238 HydrophobicContact CG2-CG 3.6Å; A88-F238 HydrophobicContact CB-CE1 4.42Å; A88-F238 HydrophobicContact CB-CZ 4.23Å; E91-F238 HydrophobicContact CB-CD1 3.75Å; E91-F238 HydrophobicContact CB-CE1 3.66Å; E91-F238 HydrophobicContact CG-CD1 3.88Å; E91-F238 HydrophobicContact CG-CE1 3.97Å; I129-F238 HydrophobicContact CD1-CE1 3.67Å; I129-F238 HydrophobicContact CD1-CZ 3.74Å; I129-F238 HydrophobicContact CG1-CE1 4.16Å; I129-F238 HydrophobicContact CG1-CZ 4.23Å; A132-F238 HydrophobicContact CB-CE2 4.5Å; G133-F238 VanDerWaalsContact CA-CE2 3.49Å; H136-F238 HydrophobicContact CB-CD2 3.97Å; H136-F238 HydrophobicContact CB-CE2 4.03Å; H136-F238 AromaticContact CG-CD2 3.76Å; F238-V241 HydrophobicContact CE2-CG1 4.43Å; F238-V241 PolarHBondContact O-N 2.98Å; F238-G242 PolarHBondContact O-N 3Å
239	R	98.2	Very high	97.2	Very high	91 Å²	91	38.9 Å²	38.9	34%	0.343	18%	0.178	S	C	.	.	H	α-helix	trans	-58	-47.9	169.4	177.4	53.8	55	77.3	1.1	111.6	E91 W94 S237 V241 G242 D243	E91-R239 VanDerWaalsContact OE1-CD 3.29Å; E91-R239 WeakPolarHBondContact OE1-CD 3.49Å; E91-R239 IonicContact OE1-NE 3.84Å; E91-R239 PolarHBondContact OE1-NE 2.82Å; E91-R239 IonicContact OE2-CZ 3.04Å; E91-R239 IonicContact OE2-NE 2.66Å; E91-R239 PolarHBondContact OE2-NE 2.71Å; E91-R239 IonicContact OE2-NH2 3.89Å; W94-R239 VanDerWaalsContact CD1-NE 3.29Å; W94-R239 VanDerWaalsContact CD2-NH2 3.3Å; W94-R239 VanDerWaalsContact CG-NH2 3.35Å; W94-R239 VanDerWaalsContact NE1-NH1 3.12Å; S237-R239 PolarHBondContact O-N 3.28Å; S237-R239 VanDerWaalsContact O-N 3.16Å; R239-V241 VanDerWaalsContact C-N 3.29Å; R239-V241 PolarHBondContact O-N 2.89Å; R239-G242 CarbonylContact O-C 3.49Å; R239-G242 WeakPolarHBondContact O-CA 3.34Å; R239-G242 PolarHBondContact O-N 2.89Å; R239-D243 VanDerWaalsContact O-CG 3.23Å; R239-D243 PolarHBondContact O-N 3.48Å
240	T	98.1	Very high	97.4	Very high	22 Å²	22	38.1 Å²	38.1	14%	0.135	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-44.2	178.3	-49.4	0	0	0	0	110.7	S237 G242 D243 F244	S237-T240 WeakPolarHBondContact O-CB 3.47Å; S237-T240 PolarHBondContact O-N 2.82Å; S237-T240 PolarHBondContact OG-N 2.9Å; S237-T240 PolarHBondContact OG-OG1 2.82Å; T240-G242 VanDerWaalsContact C-N 3.33Å; T240-G242 PolarHBondContact O-N 2.93Å; T240-D243 PolarHBondContact O-N 3.04Å; T240-F244 HydrophobicContact CG2-CD2 3.88Å; T240-F244 HydrophobicContact CG2-CE2 3.68Å; T240-F244 VanDerWaalsContact O-CD2 3.26Å; T240-F244 WeakPolarHBondContact O-CD2 3.43Å; T240-F244 PolarHBondContact O-N 3.44Å
241	V	98.4	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-43.4	175.8	178.7	0	0	0	0	111	A132 T208 V209 P236 S237 F238 R239 F244 L245	A132-V241 HydrophobicContact CB-CG1 3.97Å; T208-V241 HydrophobicContact CG2-CG1 4.2Å; V209-V241 HydrophobicContact CG2-CG1 3.93Å; V209-V241 HydrophobicContact CG2-CG2 4.27Å; P236-V241 HydrophobicContact CG-CG2 3.67Å; S237-V241 PolarHBondContact O-N 3.1Å; F238-V241 HydrophobicContact CE2-CG1 4.43Å; F238-V241 PolarHBondContact O-N 2.98Å; R239-V241 VanDerWaalsContact C-N 3.29Å; R239-V241 PolarHBondContact O-N 2.89Å; V241-F244 PolarHBondContact O-N 3.3Å; V241-L245 HydrophobicContact CG1-CD1 4.11Å; V241-L245 WeakPolarHBondContact O-CB 3.5Å; V241-L245 WeakPolarHBondContact O-CG 3.41Å; V241-L245 PolarHBondContact O-N 2.9Å
242	G	98.3	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-43.1	175.1	0	0	0	0	0	113	F238 R239 T240 L245 K246	F238-G242 PolarHBondContact O-N 3Å; R239-G242 CarbonylContact O-C 3.49Å; R239-G242 WeakPolarHBondContact O-CA 3.34Å; R239-G242 PolarHBondContact O-N 2.89Å; T240-G242 VanDerWaalsContact C-N 3.33Å; T240-G242 PolarHBondContact O-N 2.93Å; G242-L245 PolarHBondContact O-N 3.29Å; G242-K246 WeakPolarHBondContact O-CB 3.46Å; G242-K246 PolarHBondContact O-N 2.59Å
243	D	98.4	Very high	97.4	Very high	75 Å²	75	39.2 Å²	39.2	40%	0.401	21%	0.208	S	C	.	.	H	α-helix	trans	-64	-46.9	179	-63.1	-32.1	0	0	0	111	Q95 R239 T240 K246 E247	Q95-D243 PolarHBondContact NE2-OD1 2.99Å; R239-D243 VanDerWaalsContact O-CG 3.23Å; R239-D243 PolarHBondContact O-N 3.48Å; T240-D243 PolarHBondContact O-N 3.04Å; D243-K246 WeakPolarHBondContact O-CB 3.3Å; D243-K246 PolarHBondContact O-N 3.03Å; D243-K246 VanDerWaalsContact O-N 3.16Å; D243-E247 PolarHBondContact O-N 2.82Å
244	F	98.2	Very high	97.4	Very high	59 Å²	59	41.3 Å²	41.3	26%	0.259	21%	0.214	S	C	.	.	H	α-helix	trans	-61	-48.2	175.2	-84.1	-67.1	0	0	0	112.5	T208 E212 T240 V241 K246 E247 R248	T208-F244 HydrophobicContact CG2-CB 3.79Å; E212-F244 VanDerWaalsContact CD-CZ 3.48Å; E212-F244 HydrophobicContact CG-CD2 3.72Å; E212-F244 HydrophobicContact CG-CE2 3.66Å; E212-F244 HydrophobicContact CG-CG 4.48Å; E212-F244 HydrophobicContact CG-CZ 4.35Å; E212-F244 WeakPolarHBondContact OE2-CE2 3.45Å; E212-F244 WeakPolarHBondContact OE2-CZ 3.14Å; T240-F244 HydrophobicContact CG2-CD2 3.88Å; T240-F244 HydrophobicContact CG2-CE2 3.68Å; T240-F244 VanDerWaalsContact O-CD2 3.26Å; T240-F244 WeakPolarHBondContact O-CD2 3.43Å; T240-F244 PolarHBondContact O-N 3.44Å; V241-F244 PolarHBondContact O-N 3.3Å; F244-K246 PolarHBondContact O-N 2.94Å; F244-E247 WeakPolarHBondContact O-CB 3.33Å; F244-E247 PolarHBondContact O-N 3.2Å; F244-R248 WeakPolarHBondContact O-CG 3.38Å; F244-R248 PolarHBondContact O-N 3.23Å
245	L	98.4	Very high	97.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-30.4	177.4	-71.8	177.3	0	0	0	111.9	F125 A128 I129 A132 T208 V241 G242 R248 F249	F125-L245 HydrophobicContact CD2-CB 4.21Å; F125-L245 HydrophobicContact CE2-CB 3.68Å; F125-L245 HydrophobicContact CZ-CB 4.49Å; A128-L245 HydrophobicContact CB-CD1 4.31Å; A128-L245 HydrophobicContact CB-CD2 4.03Å; I129-L245 HydrophobicContact CB-CD1 4.25Å; I129-L245 HydrophobicContact CD1-CD1 3.68Å; A132-L245 HydrophobicContact CB-CD1 4.07Å; T208-L245 HydrophobicContact CG2-CD2 4.35Å; T208-L245 HydrophobicContact CG2-CG 4.26Å; T208-L245 WeakPolarHBondContact OG1-CD2 3.41Å; V241-L245 HydrophobicContact CG1-CD1 4.11Å; V241-L245 WeakPolarHBondContact O-CB 3.5Å; V241-L245 WeakPolarHBondContact O-CG 3.41Å; V241-L245 PolarHBondContact O-N 2.9Å; G242-L245 PolarHBondContact O-N 3.29Å; L245-R248 PolarHBondContact O-N 2.97Å; L245-F249 WeakPolarHBondContact O-CB 3.5Å; L245-F249 PolarHBondContact O-N 3.41Å
246	K	97.9	Very high	97	Very high	18 Å²	18	42.1 Å²	42.1	8%	0.078	22%	0.222	C	C	.	.	H	α-helix	trans	-71.8	-34.3	178.5	177.9	63.7	-158.2	62.6	0	111.8	Q95 F96 F125 G242 D243 F244 F249 D250	Q95-K246 HydrophobicContact CB-CB 4.5Å; Q95-K246 HydrophobicContact CB-CD 4.2Å; Q95-K246 HydrophobicContact CB-CG 4.43Å; Q95-K246 HydrophobicContact CG-CB 4.3Å; F96-K246 HydrophobicContact CE2-CD 4.17Å; F96-K246 HydrophobicContact CZ-CD 4.21Å; F125-K246 HydrophobicContact CE2-CB 4.28Å; G242-K246 WeakPolarHBondContact O-CB 3.46Å; G242-K246 PolarHBondContact O-N 2.59Å; D243-K246 WeakPolarHBondContact O-CB 3.3Å; D243-K246 PolarHBondContact O-N 3.03Å; D243-K246 VanDerWaalsContact O-N 3.16Å; F244-K246 PolarHBondContact O-N 2.94Å; K246-F249 HydrophobicContact CD-CD1 4.33Å; K246-F249 WeakPolarHBondContact O-CB 3.23Å; K246-F249 PolarHBondContact O-N 3.35Å; K246-D250 IonicContact NZ-OD1 3.2Å; K246-D250 PolarHBondContact NZ-OD1 3.46Å; K246-D250 IonicContact NZ-OD2 2.7Å; K246-D250 PolarHBondContact NZ-OD2 3.22Å; K246-D250 PolarHBondContact O-N 3.17Å
247	E	97.3	Very high	96.6	Very high	118 Å²	118	45.4 Å²	45.4	55%	0.551	23%	0.234	S	C	*	.	H	α-helix	trans	-64.8	-48.9	169.5	-172.3	-173	171	0	0	110.7	D243 F244 F249 D250 G251	D243-E247 PolarHBondContact O-N 2.82Å; F244-E247 WeakPolarHBondContact O-CB 3.33Å; F244-E247 PolarHBondContact O-N 3.2Å; E247-F249 PolarHBondContact O-N 3.38Å; E247-D250 PolarHBondContact O-N 3.02Å; E247-G251 PolarHBondContact O-N 3.02Å; E247-G251 VanDerWaalsContact O-N 3.12Å
248	R	97.5	Very high	95.6	Very high	81 Å²	81	43.1 Å²	43.1	31%	0.306	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-29	175.5	-59.1	-63.8	166.5	-171.4	-12.4	112.8	F244 L245 G251 A252 D288 L289	F244-R248 WeakPolarHBondContact O-CG 3.38Å; F244-R248 PolarHBondContact O-N 3.23Å; L245-R248 PolarHBondContact O-N 2.97Å; R248-G251 CarbonylContact O-C 3.57Å; R248-A252 WeakPolarHBondContact O-CA 3.27Å; R248-A252 PolarHBondContact O-N 2.95Å; R248-D288 WeakPolarHBondContact CD-OD1 3.33Å; R248-D288 IonicContact CZ-OD1 3.88Å; R248-D288 IonicContact NE-OD1 2.94Å; R248-D288 IonicContact NH1-OD1 3.99Å; R248-D288 PolarHBondContact NH1-OD1 2.91Å; R248-L289 HydrophobicContact CB-CD1 4.28Å; R248-L289 HydrophobicContact CB-CG 3.94Å
249	F	97.8	Very high	94	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.035	25%	0.254	C	S	.	.	H	α-helix	trans	-69.2	-41.3	173.2	166.7	-86.8	0	0	0	113	F96 R121 E122 F125 L245 K246 E247 G251 A252 L289	F96-F249 HydrophobicContact CE1-CD1 4.25Å; F96-F249 AromaticContact CE1-CE1 3.68Å; F96-F249 HydrophobicContact CE1-CE1 3.68Å; F96-F249 AromaticContact CE1-CE2 3.96Å; F96-F249 HydrophobicContact CE1-CE2 3.96Å; F96-F249 AromaticContact CE1-CZ 3.52Å; F96-F249 HydrophobicContact CE1-CZ 3.52Å; F96-F249 AromaticContact CZ-CD1 3.94Å; F96-F249 HydrophobicContact CZ-CD1 3.94Å; F96-F249 AromaticContact CZ-CD2 3.91Å; F96-F249 HydrophobicContact CZ-CD2 3.91Å; F96-F249 AromaticContact CZ-CE1 3.83Å; F96-F249 HydrophobicContact CZ-CE1 3.83Å; F96-F249 AromaticContact CZ-CE2 3.74Å; F96-F249 HydrophobicContact CZ-CE2 3.74Å; F96-F249 AromaticContact CZ-CG 3.98Å; F96-F249 HydrophobicContact CZ-CG 3.98Å; F96-F249 AromaticContact CZ-CZ 3.72Å; F96-F249 HydrophobicContact CZ-CZ 3.72Å; R121-F249 VanDerWaalsContact C-CE2 3.45Å; R121-F249 HydrophobicContact CB-CD2 4.09Å; R121-F249 HydrophobicContact CB-CE2 3.57Å; R121-F249 HydrophobicContact CB-CZ 4.19Å; R121-F249 WeakPolarHBondContact O-CD2 3.35Å; R121-F249 WeakPolarHBondContact O-CE2 3.21Å; E122-F249 HydrophobicContact CG-CE2 4.27Å; E122-F249 HydrophobicContact CG-CZ 4.41Å; F125-F249 HydrophobicContact CB-CD2 3.81Å; F125-F249 HydrophobicContact CD2-CB 3.93Å; F125-F249 HydrophobicContact CD2-CG 4.45Å; F125-F249 HydrophobicContact CG-CD2 4.47Å; L245-F249 WeakPolarHBondContact O-CB 3.5Å; L245-F249 PolarHBondContact O-N 3.41Å; K246-F249 HydrophobicContact CD-CD1 4.33Å; K246-F249 WeakPolarHBondContact O-CB 3.23Å; K246-F249 PolarHBondContact O-N 3.35Å; E247-F249 PolarHBondContact O-N 3.38Å; F249-G251 VanDerWaalsContact C-N 3.31Å; F249-A252 WeakPolarHBondContact O-CB 3.14Å; F249-A252 PolarHBondContact O-N 3.21Å; F249-L289 HydrophobicContact CB-CD1 4.1Å
250	D	96.3	Very high	92.2	Very high	81 Å²	81	52.4 Å²	52.4	43%	0.433	27%	0.268	S	S	.	.	H	α-helix	trans	-67.3	-36.3	178.4	-73.9	-30	0	0	0	110.8	R99 K246 E247	R99-D250 IonicContact CZ-OD1 3.81Å; R99-D250 IonicContact NH2-OD1 2.88Å; R99-D250 PolarHBondContact NH2-OD1 3.12Å; R99-D250 IonicContact NH2-OD2 3.6Å; K246-D250 IonicContact NZ-OD1 3.2Å; K246-D250 PolarHBondContact NZ-OD1 3.46Å; K246-D250 IonicContact NZ-OD2 2.7Å; K246-D250 PolarHBondContact NZ-OD2 3.22Å; K246-D250 PolarHBondContact O-N 3.17Å; E247-D250 PolarHBondContact O-N 3.02Å
251	G	95.3	Very high	90.1	Very high	57 Å²	57	54.6 Å²	54.6	59%	0.588	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	15.8	175.5	0	0	0	0	0	115.8	E247 R248 F249	E247-G251 PolarHBondContact O-N 3.02Å; E247-G251 VanDerWaalsContact O-N 3.12Å; R248-G251 CarbonylContact O-C 3.57Å; F249-G251 VanDerWaalsContact C-N 3.31Å
252	A	96.9	Very high	87.9	Confident	14 Å²	14	59.6 Å²	59.6	12%	0.116	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-60.9	142.1	-174.4	0	0	0	0	0	112.1	R121 R248 F249 L289 Y291	R121-A252 HydrophobicContact CG-CB 4.29Å; R248-A252 WeakPolarHBondContact O-CA 3.27Å; R248-A252 PolarHBondContact O-N 2.95Å; F249-A252 WeakPolarHBondContact O-CB 3.14Å; F249-A252 PolarHBondContact O-N 3.21Å; A252-L289 CarbonylContact C-O 3.47Å; A252-L289 VanDerWaalsContact CA-O 3.27Å; A252-L289 WeakPolarHBondContact CA-O 3.1Å; A252-L289 HydrophobicContact CB-CB 4.02Å; A252-L289 WeakPolarHBondContact CB-O 3.19Å; A252-Y291 HydrophobicContact CB-CD1 4.01Å; A252-Y291 HydrophobicContact CB-CE1 4.21Å; A252-Y291 WeakPolarHBondContact O-CE1 3.19Å
253	S	95.8	Very high	85.7	Confident	23 Å²	23	66.2 Å²	66.2	16%	0.161	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.8	-176.5	-70.9	0	0	0	0	112.3	L289 V290 Y291	S253-L289 PolarHBondContact N-O 3.32Å; S253-V290 VanDerWaalsContact O-CA 3.31Å; S253-V290 WeakPolarHBondContact O-CA 3.36Å; S253-Y291 WeakPolarHBondContact O-CD1 2.98Å; S253-Y291 PolarHBondContact O-N 3.43Å
254	R	95.9	Very high	83.6	Confident	71 Å²	71	74.1 Å²	74.1	27%	0.268	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126	171.6	-168.2	160.3	173.7	-127.1	-10	109.9	E277 Y291 F292	R254-E277 HydrophobicContact CB-CB 4.48Å; R254-E277 WeakPolarHBondContact CD-OE2 3.33Å; R254-E277 HydrophobicContact CG-CB 4.34Å; R254-E277 WeakPolarHBondContact CG-OE2 3.29Å; R254-E277 VanDerWaalsContact CZ-CD 3.41Å; R254-E277 IonicContact CZ-OE1 2.82Å; R254-E277 IonicContact CZ-OE2 2.88Å; R254-E277 IonicContact NE-OE1 2.9Å; R254-E277 IonicContact NE-OE2 2.59Å; R254-E277 PolarHBondContact NE-OE2 2.98Å; R254-E277 IonicContact NH1-OE1 3.55Å; R254-E277 PolarHBondContact NH1-OE1 2.93Å; R254-E277 IonicContact NH1-OE2 3.93Å; R254-E277 PolarHBondContact NH1-OE2 3.42Å; R254-E277 IonicContact NH2-OE1 3.81Å; R254-E277 PolarHBondContact NH2-OE1 3.26Å; R254-E277 VanDerWaalsContact NH2-OE1 3.1Å; R254-E277 IonicContact NH2-OE2 3.48Å; R254-E277 PolarHBondContact O-N 3.1Å; R254-Y291 CarbonylContact C-O 3.58Å; R254-Y291 WeakPolarHBondContact CA-O 3.44Å; R254-Y291 HydrophobicContact CB-CE1 4Å; R254-Y291 HydrophobicContact CB-CE2 4.04Å; R254-Y291 HydrophobicContact CG-CD2 4.37Å; R254-Y291 HydrophobicContact CG-CE2 3.99Å; R254-F292 PolarHBondContact NE-O 3.26Å; R254-F292 PolarHBondContact NH2-O 3.06Å
255	V	94.8	Very high	81.5	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.006	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.7	-172.4	-62.1	0	0	0	0	112.9	L274 E275 P284 V290 Y291 F292	V255-L274 HydrophobicContact CB-CB 4.24Å; V255-L274 HydrophobicContact CG1-CB 4.32Å; V255-L274 HydrophobicContact CG2-CB 4.45Å; V255-L274 HydrophobicContact CG2-CD1 4.41Å; V255-L274 HydrophobicContact CG2-CD2 4.14Å; V255-E275 CarbonylContact C-O 3.41Å; V255-E275 WeakPolarHBondContact CA-O 3.39Å; V255-E275 WeakPolarHBondContact CB-O 3.26Å; V255-P284 HydrophobicContact CG1-CG 4.21Å; V255-V290 HydrophobicContact CG1-CB 3.85Å; V255-V290 HydrophobicContact CG1-CG1 3.82Å; V255-V290 HydrophobicContact CG2-CB 3.98Å; V255-V290 HydrophobicContact CG2-CG2 4.33Å; V255-Y291 PolarHBondContact N-O 3.45Å; V255-F292 WeakPolarHBondContact O-CB 3.19Å
256	I	91.9	Very high	79.2	Confident	75 Å²	75	79.1 Å²	79.1	39%	0.385	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	173.1	171.7	59.5	172.7	0	0	0	109.6	A258 E275 E277	I256-A258 PolarHBondContact O-N 3.29Å; I256-E275 PolarHBondContact N-O 3.28Å; I256-E275 PolarHBondContact O-N 2.95Å; I256-E277 HydrophobicContact CG2-CB 4.06Å; I256-E277 HydrophobicContact CG2-CG 4.03Å
257	Y	87.1	Confident	77.2	Confident	76 Å²	76	87.8 Å²	87.8	30%	0.298	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131.8	170.5	-78.6	-70.4	0	0	0	111.1	R191 D192 L193 L196 N259	R191-Y257 PolarHBondContact O-OH 2.7Å; D192-Y257 WeakPolarHBondContact CA-OH 3.4Å; L193-Y257 HydrophobicContact CB-CD2 4.19Å; L193-Y257 HydrophobicContact CB-CE1 4.26Å; L193-Y257 HydrophobicContact CB-CE2 3.61Å; L193-Y257 HydrophobicContact CD1-CD1 4.2Å; L193-Y257 HydrophobicContact CD1-CD2 4.3Å; L193-Y257 HydrophobicContact CD1-CE1 4.33Å; L193-Y257 HydrophobicContact CD1-CE2 4.47Å; L193-Y257 HydrophobicContact CD1-CG 4.22Å; L193-Y257 HydrophobicContact CD2-CD2 4.49Å; L193-Y257 HydrophobicContact CG-CE2 4.45Å; L193-Y257 PolarHBondContact N-OH 3.2Å; L196-Y257 HydrophobicContact CD1-CD1 4.18Å; L196-Y257 HydrophobicContact CD1-CE1 3.76Å; Y257-N259 PolarHBondContact O-N 3.41Å; Y257-N259 VanDerWaalsContact O-N 3.15Å
258	A	77.3	Confident	75	Confident	18 Å²	18	92.4 Å²	92.4	15%	0.149	49%	0.491	C	S	.	.			trans	-65.3	111.8	163.8	0	0	0	0	0	109.3	I256 K260 H273 E275	I256-A258 PolarHBondContact O-N 3.29Å; A258-K260 PolarHBondContact O-N 2.92Å; A258-K260 VanDerWaalsContact O-N 3.13Å; A258-H273 HydrophobicContact CB-CB 4.07Å; A258-H273 WeakPolarHBondContact CB-O 3.24Å; A258-H273 PolarHBondContact N-O 3.24Å; A258-H273 VanDerWaalsContact N-O 3.07Å; A258-E275 HydrophobicContact CB-CB 4.39Å; A258-E275 HydrophobicContact CB-CG 3.75Å; A258-E275 WeakPolarHBondContact CB-OE1 3.4Å
259	N	65.2	Low	72.7	Confident	152 Å²	152	93 Å²	93	81%	0.813	51%	0.514	S	S	*	.			trans	-86.2	59.2	171.9	-79.2	-24.9	0	0	0	109.8	Y257 G261	Y257-N259 PolarHBondContact O-N 3.41Å; Y257-N259 VanDerWaalsContact O-N 3.15Å; N259-G261 PolarHBondContact O-N 2.95Å
260	K	59.7	Low	70.4	Confident	151 Å²	151	100.1 Å²	100.1	66%	0.657	55%	0.547	S	S	*	.			trans	-77.7	109.8	164.9	-69.6	-171.3	-178.2	180	0	107.2	A258 S262	A258-K260 PolarHBondContact O-N 2.92Å; A258-K260 VanDerWaalsContact O-N 3.13Å; K260-S262 PolarHBondContact O-N 3.18Å; K260-S262 VanDerWaalsContact O-N 3.12Å
261	G	53.2	Low	68.5	Low	69 Å²	69	101.7 Å²	101.7	71%	0.711	56%	0.562	S	S	*	*			trans	-44.5	120.3	-179.5	0	0	0	0	0	110.3	N259 N263	N259-G261 PolarHBondContact O-N 2.95Å; G261-N263 VanDerWaalsContact C-N 3.31Å; G261-N263 PolarHBondContact O-N 3.27Å
262	S	52	Low	67	Low	105 Å²	105	105.9 Å²	105.9	73%	0.734	56%	0.56	S	S	*	*			trans	-65.6	95.5	175.7	-178.9	0	0	0	0	107.7	K260 R264	K260-S262 PolarHBondContact O-N 3.18Å; K260-S262 VanDerWaalsContact O-N 3.12Å; S262-R264 VanDerWaalsContact C-N 3.27Å; S262-R264 PolarHBondContact O-N 3.06Å
263	N	52.8	Low	66	Low	138 Å²	138	110.3 Å²	110.3	74%	0.738	58%	0.578	S	S	*	*			trans	-62.1	100.4	162.3	-90.9	-4.8	0	0	0	106.1	G261 A265 S266	G261-N263 VanDerWaalsContact C-N 3.31Å; G261-N263 PolarHBondContact O-N 3.27Å; N263-A265 PolarHBondContact O-N 3.14Å; N263-S266 PolarHBondContact O-N 3.49Å; N263-S266 VanDerWaalsContact O-N 3.12Å
264	R	53.5	Low	65.6	Low	241 Å²	241	109.8 Å²	109.8	91%	0.909	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-2.9	178.2	-73.8	179.3	170.2	156.4	-3.2	114	S262	S262-R264 VanDerWaalsContact C-N 3.27Å; S262-R264 PolarHBondContact O-N 3.06Å
265	A	54.4	Low	65.4	Low	93 Å²	93	109.4 Å²	109.4	77%	0.769	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-13.5	177.6	0	0	0	0	0	114.5	N263	N263-A265 PolarHBondContact O-N 3.14Å
266	S	51.5	Low	65.3	Low	72 Å²	72	110.1 Å²	110.1	50%	0.503	58%	0.579	S	S	.	*			trans	-99.7	107.3	174.5	-172.9	0	0	0	0	110.4	N263 R268	N263-S266 PolarHBondContact O-N 3.49Å; N263-S266 VanDerWaalsContact O-N 3.12Å; S266-R268 PolarHBondContact O-N 3.07Å; S266-R268 PolarHBondContact OG-N 3.21Å; S266-R268 PolarHBondContact OG-O 3.39Å
267	H	54.7	Low	65.2	Low	199 Å²	199	110.4 Å²	110.4	92%	0.921	58%	0.579	S	S	*	*	S	Bend	trans	-62.3	1.8	170.2	-78.3	-78.8	0	0	0	113.8
268	R	51.1	Low	65.4	Low	215 Å²	215	110.2 Å²	110.2	81%	0.811	58%	0.583	S	S	*	*	S	Bend	trans	-106.9	93.1	166.6	-66.2	-179.4	-177.3	167.9	1.5	107.8	S266 E270	S266-R268 PolarHBondContact O-N 3.07Å; S266-R268 PolarHBondContact OG-N 3.21Å; S266-R268 PolarHBondContact OG-O 3.39Å; R268-E270 PolarHBondContact O-N 3.25Å
269	A	49.2	Very low	65.9	Low	95 Å²	95	115.2 Å²	115.2	79%	0.785	61%	0.614	S	S	*	*			trans	-56.5	106.9	166	0	0	0	0	0	107.5
270	E	50.7	Low	67.1	Low	157 Å²	157	112.1 Å²	112.1	73%	0.734	61%	0.61	S	S	*	*			trans	-54	141.4	170.9	-80	-139.9	149.8	0	0	108.7	R268 R272	R268-E270 PolarHBondContact O-N 3.25Å; E270-R272 PolarHBondContact O-N 2.72Å
271	P	55.2	Low	68.6	Low	114 Å²	114	110 Å²	110	74%	0.74	60%	0.602	S	S	*	*			trans	-55.7	121.4	178.1	1.5	0.3	0	0	0	108.5	H273	P271-H273 PolarHBondContact O-N 2.64Å
272	R	63.5	Low	70.4	Confident	145 Å²	145	115.3 Å²	115.3	55%	0.547	61%	0.605	S	S	.	*			trans	-49.2	110.6	172.9	-67	177.3	-176.6	173.9	-4.3	107.9	R191 L196 E270	R191-R272 PolarHBondContact O-NH1 2.71Å; R191-R272 VanDerWaalsContact O-NH1 3.08Å; L196-R272 HydrophobicContact CD1-CB 3.9Å; E270-R272 PolarHBondContact O-N 2.72Å
273	H	76.1	Confident	72.2	Confident	107 Å²	107	114 Å²	114	50%	0.495	59%	0.594	S	S	.	*			trans	-87.2	152.5	-174.6	-161.9	62.5	0	0	0	110.4	A258 P271	A258-H273 HydrophobicContact CB-CB 4.07Å; A258-H273 WeakPolarHBondContact CB-O 3.24Å; A258-H273 PolarHBondContact N-O 3.24Å; A258-H273 VanDerWaalsContact N-O 3.07Å; P271-H273 PolarHBondContact O-N 2.64Å
274	L	88.4	Confident	74.1	Confident	12 Å²	12	108.2 Å²	108.2	6%	0.063	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.1	125.1	171.9	-64.4	175	0	0	0	107.3	L193 L196 H200 V255 V290	L193-L274 HydrophobicContact CD1-CD2 3.5Å; L196-L274 HydrophobicContact CB-CD1 4.48Å; L196-L274 HydrophobicContact CB-CD2 3.93Å; L196-L274 HydrophobicContact CB-CG 4.37Å; L196-L274 HydrophobicContact CD1-CD2 4.34Å; H200-L274 HydrophobicContact CB-CD1 4.03Å; V255-L274 HydrophobicContact CB-CB 4.24Å; V255-L274 HydrophobicContact CG1-CB 4.32Å; V255-L274 HydrophobicContact CG2-CB 4.45Å; V255-L274 HydrophobicContact CG2-CD1 4.41Å; V255-L274 HydrophobicContact CG2-CD2 4.14Å; L274-V290 HydrophobicContact CD1-CG2 3.83Å
275	E	90.4	Very high	76	Confident	63 Å²	63	99.3 Å²	99.3	29%	0.294	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.4	175.8	-81.4	172.4	-175.5	0	0	109.6	V255 I256 A258	V255-E275 CarbonylContact C-O 3.41Å; V255-E275 WeakPolarHBondContact CA-O 3.39Å; V255-E275 WeakPolarHBondContact CB-O 3.26Å; I256-E275 PolarHBondContact N-O 3.28Å; I256-E275 PolarHBondContact O-N 2.95Å; A258-E275 HydrophobicContact CB-CB 4.39Å; A258-E275 HydrophobicContact CB-CG 3.75Å; A258-E275 WeakPolarHBondContact CB-OE1 3.4Å
276	P	92.8	Very high	77.8	Confident	15 Å²	15	97.7 Å²	97.7	10%	0.097	52%	0.522	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	140.7	175.9	27.3	-32.9	0	0	0	110.1	N278 H281	P276-N278 PolarHBondContact O-N 3.14Å; P276-H281 HydrophobicContact CB-CB 4.15Å
277	E	91.2	Very high	79.9	Confident	81 Å²	81	97 Å²	97	38%	0.379	51%	0.512	S	S	.	.	S	Bend	trans	-62.1	-33.4	177	-174.2	-176.5	-147.4	0	0	111.6	R254 I256	R254-E277 HydrophobicContact CB-CB 4.48Å; R254-E277 WeakPolarHBondContact CD-OE2 3.33Å; R254-E277 HydrophobicContact CG-CB 4.34Å; R254-E277 WeakPolarHBondContact CG-OE2 3.29Å; R254-E277 VanDerWaalsContact CZ-CD 3.41Å; R254-E277 IonicContact CZ-OE1 2.82Å; R254-E277 IonicContact CZ-OE2 2.88Å; R254-E277 IonicContact NE-OE1 2.9Å; R254-E277 IonicContact NE-OE2 2.59Å; R254-E277 PolarHBondContact NE-OE2 2.98Å; R254-E277 IonicContact NH1-OE1 3.55Å; R254-E277 PolarHBondContact NH1-OE1 2.93Å; R254-E277 IonicContact NH1-OE2 3.93Å; R254-E277 PolarHBondContact NH1-OE2 3.42Å; R254-E277 IonicContact NH2-OE1 3.81Å; R254-E277 PolarHBondContact NH2-OE1 3.26Å; R254-E277 VanDerWaalsContact NH2-OE1 3.1Å; R254-E277 IonicContact NH2-OE2 3.48Å; R254-E277 PolarHBondContact O-N 3.1Å; I256-E277 HydrophobicContact CG2-CB 4.06Å; I256-E277 HydrophobicContact CG2-CG 4.03Å
278	N	90.3	Very high	81.9	Confident	72 Å²	72	89.2 Å²	89.2	39%	0.385	48%	0.477	S	S	.	.	S	Bend	trans	-97.6	115.2	172	-175.9	-3.3	0	0	0	109.7	P276 A280 H281	P276-N278 PolarHBondContact O-N 3.14Å; N278-A280 PolarHBondContact O-N 3.32Å; N278-A280 VanDerWaalsContact O-N 3.15Å; N278-A280 WeakPolarHBondContact OD1-CB 3.46Å; N278-A280 PolarHBondContact OD1-N 2.93Å; N278-H281 PolarHBondContact ND2-NE2 3.39Å; N278-H281 VanDerWaalsContact ND2-NE2 3.19Å; N278-H281 WeakPolarHBondContact O-CB 3.22Å; N278-H281 PolarHBondContact O-N 2.88Å
279	P	87.9	Confident	84.1	Confident	123 Å²	123	79 Å²	79	80%	0.799	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.7	179	-24	34.5	0	0	0	114.6	H281	P279-H281 PolarHBondContact O-N 3.33Å
280	A	91.4	Very high	86.4	Confident	88 Å²	88	74.5 Å²	74.5	73%	0.727	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.7	176.1	0	0	0	0	0	113.1	N278	N278-A280 PolarHBondContact O-N 3.32Å; N278-A280 VanDerWaalsContact O-N 3.15Å; N278-A280 WeakPolarHBondContact OD1-CB 3.46Å; N278-A280 PolarHBondContact OD1-N 2.93Å
281	H	91.2	Very high	88.6	Confident	106 Å²	106	68.8 Å²	68.8	49%	0.491	37%	0.373	S	S	.	.	S	Bend	trans	-83.8	145.4	177	-65.3	173.2	0	0	0	110.9	P276 N278 P279	P276-H281 HydrophobicContact CB-CB 4.15Å; N278-H281 PolarHBondContact ND2-NE2 3.39Å; N278-H281 VanDerWaalsContact ND2-NE2 3.19Å; N278-H281 WeakPolarHBondContact O-CB 3.22Å; N278-H281 PolarHBondContact O-N 2.88Å; P279-H281 PolarHBondContact O-N 3.33Å
282	K	90.3	Very high	90.5	Very high	180 Å²	180	64.7 Å²	64.7	78%	0.783	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-62.2	139.9	173	-168.4	179.4	179.4	179.9	0	109.9
283	P	90.4	Very high	92	Very high	78 Å²	78	60.1 Å²	60.1	51%	0.506	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-56.3	141.8	170.8	-25.2	34.1	0	0	0	111.6
284	P	92.7	Very high	92.9	Very high	16 Å²	16	62.4 Å²	62.4	10%	0.104	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66.2	136.7	-178	26.9	-33.8	0	0	0	111.5	V255 D288 V290	V255-P284 HydrophobicContact CG1-CG 4.21Å; P284-D288 HydrophobicContact CB-CB 4.23Å; P284-V290 HydrophobicContact CB-CG1 3.55Å; P284-V290 HydrophobicContact CG-CG1 3.69Å
285	S	93.3	Very high	93.2	Very high	54 Å²	54	63.5 Å²	63.5	38%	0.378	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-71.4	167.2	170.3	-175.7	0	0	0	0	111.3	H200 M287 D288	H200-S285 PolarHBondContact CE1-O 3.18Å; H200-S285 PolarHBondContact NE2-O 2.85Å; S285-M287 PolarHBondContact O-N 3.38Å; S285-M287 VanDerWaalsContact O-N 3.16Å; S285-D288 WeakPolarHBondContact CB-OD2 3.43Å; S285-D288 PolarHBondContact N-OD2 3.01Å; S285-D288 PolarHBondContact O-N 3.26Å; S285-D288 VanDerWaalsContact O-N 3.14Å
286	S	92.7	Very high	93.4	Very high	60 Å²	60	61.6 Å²	61.6	42%	0.42	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-11.4	173.6	59.8	0	0	0	0	114.4	A204	A204-S286 WeakPolarHBondContact CA-O 3.19Å; A204-S286 WeakPolarHBondContact CB-O 3.27Å; A204-S286 PolarHBondContact N-O 3.48Å
287	M	94.3	Very high	93.4	Very high	58 Å²	58	65.6 Å²	65.6	29%	0.286	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-7.4	175.7	-66.1	-174.5	-67.5	0	0	113.2	M207 S285	M207-M287 HydrophobicContact CB-CG 3.74Å; S285-M287 PolarHBondContact O-N 3.38Å; S285-M287 VanDerWaalsContact O-N 3.16Å
288	D	96.4	Very high	93.6	Very high	35 Å²	35	62.8 Å²	62.8	19%	0.187	35%	0.346	C	S	.	.	S	Bend	trans	-83.6	154.9	178.7	-63.6	-37.1	0	0	0	110.2	H200 R248 P284 S285	H200-D288 PolarHBondContact CD2-O 2.87Å; H200-D288 PolarHBondContact NE2-O 3.21Å; R248-D288 WeakPolarHBondContact CD-OD1 3.33Å; R248-D288 IonicContact CZ-OD1 3.88Å; R248-D288 IonicContact NE-OD1 2.94Å; R248-D288 IonicContact NH1-OD1 3.99Å; R248-D288 PolarHBondContact NH1-OD1 2.91Å; P284-D288 HydrophobicContact CB-CB 4.23Å; S285-D288 WeakPolarHBondContact CB-OD2 3.43Å; S285-D288 PolarHBondContact N-OD2 3.01Å; S285-D288 PolarHBondContact O-N 3.26Å; S285-D288 VanDerWaalsContact O-N 3.14Å
289	L	97.9	Very high	93.8	Very high	0 Å²	0	60 Å²	60	0%	0	33%	0.331	C	S	.	.			trans	-93.8	141.8	174.7	-62.5	-175.9	0	0	0	110.2	A124 F125 A128 N201 A204 R248 F249 A252 S253	A124-L289 HydrophobicContact CB-CB 4.43Å; F125-L289 HydrophobicContact CB-CD1 4.41Å; F125-L289 HydrophobicContact CD2-CD1 4.37Å; A128-L289 HydrophobicContact CB-CD2 3.53Å; N201-L289 HydrophobicContact CB-CD2 4.39Å; N201-L289 WeakPolarHBondContact OD1-CA 3.42Å; A204-L289 HydrophobicContact CB-CD2 3.89Å; R248-L289 HydrophobicContact CB-CD1 4.28Å; R248-L289 HydrophobicContact CB-CG 3.94Å; F249-L289 HydrophobicContact CB-CD1 4.1Å; A252-L289 CarbonylContact C-O 3.47Å; A252-L289 VanDerWaalsContact CA-O 3.27Å; A252-L289 WeakPolarHBondContact CA-O 3.1Å; A252-L289 HydrophobicContact CB-CB 4.02Å; A252-L289 WeakPolarHBondContact CB-O 3.19Å; S253-L289 PolarHBondContact N-O 3.32Å
290	V	97.2	Very high	94.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	146.1	-178.6	-59.2	0	0	0	0	111.6	A124 T197 H200 N201 S253 V255 L274 P284	A124-V290 WeakPolarHBondContact CB-O 3.31Å; T197-V290 HydrophobicContact CG2-CG2 4.01Å; T197-V290 VanDerWaalsContact CG2-O 3.26Å; T197-V290 WeakPolarHBondContact CG2-O 3.43Å; H200-V290 HydrophobicContact CB-CG2 3.95Å; H200-V290 WeakPolarHBondContact CD2-CG2 3.17Å; N201-V290 PolarHBondContact ND2-O 3.09Å; N201-V290 PolarHBondContact OD1-N 2.81Å; N201-V290 PolarHBondContact OD1-O 2.73Å; S253-V290 VanDerWaalsContact O-CA 3.31Å; S253-V290 WeakPolarHBondContact O-CA 3.36Å; V255-V290 HydrophobicContact CG1-CB 3.85Å; V255-V290 HydrophobicContact CG1-CG1 3.82Å; V255-V290 HydrophobicContact CG2-CB 3.98Å; V255-V290 HydrophobicContact CG2-CG2 4.33Å; L274-V290 HydrophobicContact CD1-CG2 3.83Å; P284-V290 HydrophobicContact CB-CG1 3.55Å; P284-V290 HydrophobicContact CG-CG1 3.69Å
291	Y	97.1	Very high	94.1	Very high	37 Å²	37	60.8 Å²	60.8	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	164.1	178.6	74	-79.6	0	0	0	110.2	R121 A252 S253 R254 V255 E293	R121-Y291 HydrophobicContact CG-CD1 3.37Å; R121-Y291 HydrophobicContact CG-CD2 3.84Å; R121-Y291 HydrophobicContact CG-CE1 3.47Å; R121-Y291 VanDerWaalsContact CG-CE1 3.47Å; R121-Y291 HydrophobicContact CG-CE2 3.94Å; R121-Y291 HydrophobicContact CG-CG 3.55Å; A252-Y291 HydrophobicContact CB-CD1 4.01Å; A252-Y291 HydrophobicContact CB-CE1 4.21Å; A252-Y291 WeakPolarHBondContact O-CE1 3.19Å; S253-Y291 WeakPolarHBondContact O-CD1 2.98Å; S253-Y291 PolarHBondContact O-N 3.43Å; R254-Y291 CarbonylContact C-O 3.58Å; R254-Y291 WeakPolarHBondContact CA-O 3.44Å; R254-Y291 HydrophobicContact CB-CE1 4Å; R254-Y291 HydrophobicContact CB-CE2 4.04Å; R254-Y291 HydrophobicContact CG-CD2 4.37Å; R254-Y291 HydrophobicContact CG-CE2 3.99Å; V255-Y291 PolarHBondContact N-O 3.45Å; Y291-E293 VanDerWaalsContact CD2-O 3.28Å; Y291-E293 WeakPolarHBondContact CD2-O 3.43Å
292	F	95.4	Very high	94	Very high	29 Å²	29	58.9 Å²	58.9	13%	0.127	30%	0.304	C	S	.	.			trans	-131.5	-20.8	-178.4	59.8	-87.8	0	0	0	113.9	G119 L193 R194 T197 R254 V255	G119-F292 VanDerWaalsContact CA-CE1 3.47Å; G119-F292 VanDerWaalsContact CA-CZ 3.48Å; G119-F292 PolarHBondContact O-N 3.39Å; L193-F292 HydrophobicContact CD2-CB 3.54Å; L193-F292 HydrophobicContact CD2-CD1 4.19Å; L193-F292 HydrophobicContact CD2-CD2 3.85Å; L193-F292 HydrophobicContact CD2-CG 3.6Å; L193-F292 HydrophobicContact CG-CB 4.16Å; L193-F292 HydrophobicContact CG-CD1 3.97Å; L193-F292 HydrophobicContact CG-CD2 4.37Å; L193-F292 HydrophobicContact CG-CG 3.91Å; R194-F292 HydrophobicContact CB-CE1 4.07Å; R194-F292 HydrophobicContact CB-CZ 3.81Å; R194-F292 HydrophobicContact CG-CE1 4.49Å; R194-F292 HydrophobicContact CG-CZ 4.32Å; T197-F292 HydrophobicContact CG2-CD1 4.01Å; T197-F292 HydrophobicContact CG2-CE1 4.19Å; T197-F292 WeakPolarHBondContact OG1-CD1 3.3Å; R254-F292 PolarHBondContact NE-O 3.26Å; R254-F292 PolarHBondContact NH2-O 3.06Å; V255-F292 WeakPolarHBondContact O-CB 3.19Å
293	E	94.9	Very high	93.9	Very high	49 Å²	49	51.7 Å²	51.7	23%	0.229	28%	0.281	C	S	.	.	S	Bend	trans	-106.1	142.6	176.1	-72.5	171.5	-167.6	0	0	111.7	R118 G119 C120 R194 Y291	R118-E293 WeakPolarHBondContact CA-OE2 3.41Å; R118-E293 WeakPolarHBondContact CB-OE2 3.26Å; R118-E293 IonicContact CZ-OE2 3.83Å; R118-E293 IonicContact NE-OE2 2.72Å; R118-E293 IonicContact NH2-OE2 3.08Å; G119-E293 PolarHBondContact N-OE2 2.66Å; G119-E293 PolarHBondContact O-N 3.42Å; C120-E293 WeakPolarHBondContact CA-O 3.5Å; R194-E293 IonicContact NH2-OE1 3.41Å; Y291-E293 VanDerWaalsContact CD2-O 3.28Å; Y291-E293 WeakPolarHBondContact CD2-O 3.43Å
294	K	95.1	Very high	93.6	Very high	155 Å²	155	57 Å²	57	67%	0.674	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-63.7	140.4	170.8	-66.9	-179.1	179.7	179.6	0	110.6
295	S	94.9	Very high	93	Very high	35 Å²	35	57.2 Å²	57.2	25%	0.245	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-60.9	140.1	175.4	-57.2	0	0	0	0	110.7	E122	E122-S295 PolarHBondContact OE1-OG 3.18Å; E122-S295 VanDerWaalsContact OE2-CB 3.27Å; E122-S295 WeakPolarHBondContact OE2-CB 3.35Å; E122-S295 PolarHBondContact OE2-OG 3.3Å
296	P	94.1	Very high	92.6	Very high	22 Å²	22	56.1 Å²	56.1	14%	0.143	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-68.1	167.3	177.1	30.8	-35.5	0	0	0	111.4	I115 F298 T305 T307	I115-P296 HydrophobicContact CD1-CG 3.84Å; P296-F298 HydrophobicContact CG-CD1 4.44Å; P296-F298 HydrophobicContact CG-CE1 3.76Å; P296-F298 HydrophobicContact CG-CZ 3.84Å; P296-F298 WeakPolarHBondContact O-CD2 3.31Å; P296-F298 PolarHBondContact O-N 2.95Å; P296-T305 HydrophobicContact CB-CG2 4.09Å; P296-T307 HydrophobicContact CB-CG2 4.38Å; P296-T307 HydrophobicContact CG-CG2 4.06Å
297	N	93.3	Very high	92.3	Very high	99 Å²	99	53.6 Å²	53.6	53%	0.529	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-70.7	118.4	170.3	-173.8	3	0	0	0	110.1	C299	N297-C299 WeakPolarHBondContact OD1-CB 3.44Å; N297-C299 PolarHBondContact OD1-N 2.9Å; N297-C299 PolarHBondContact OD1-SG 3.13Å
298	F	95.1	Very high	92.1	Very high	23 Å²	23	56.4 Å²	56.4	10%	0.101	29%	0.292	C	S	.	.			trans	-90.4	-2.8	178.3	-61.3	-68	0	0	0	114	R100 W101 I115 E122 P296 T307 G309	R100-F298 HydrophobicContact CB-CB 3.8Å; W101-F298 HydrophobicContact CB-CD1 3.8Å; W101-F298 HydrophobicContact CB-CD2 3.96Å; W101-F298 HydrophobicContact CB-CE1 3.86Å; W101-F298 HydrophobicContact CB-CE2 4Å; W101-F298 HydrophobicContact CB-CG 3.86Å; W101-F298 HydrophobicContact CB-CZ 3.96Å; W101-F298 AromaticContact CD1-CD1 3.81Å; W101-F298 AromaticContact CD1-CE1 3.42Å; W101-F298 VanDerWaalsContact CD1-CE1 3.42Å; W101-F298 HydrophobicContact CG-CD1 4.16Å; W101-F298 AromaticContact CG-CE1 3.85Å; W101-F298 HydrophobicContact CG-CE1 3.85Å; W101-F298 HydrophobicContact CG-CZ 4.08Å; I115-F298 HydrophobicContact CD1-CE1 4.17Å; I115-F298 HydrophobicContact CD1-CZ 4.36Å; E122-F298 HydrophobicContact CG-CE2 4.15Å; E122-F298 HydrophobicContact CG-CZ 3.82Å; E122-F298 WeakPolarHBondContact OE1-CE2 3.47Å; P296-F298 HydrophobicContact CG-CD1 4.44Å; P296-F298 HydrophobicContact CG-CE1 3.76Å; P296-F298 HydrophobicContact CG-CZ 3.84Å; P296-F298 WeakPolarHBondContact O-CD2 3.31Å; P296-F298 PolarHBondContact O-N 2.95Å; F298-T307 HydrophobicContact CD1-CG2 3.58Å; F298-T307 HydrophobicContact CE1-CG2 3.92Å; F298-G309 CarbonylContact O-C 3.55Å; F298-G309 WeakPolarHBondContact O-CA 3.31Å
299	C	94.1	Very high	91.9	Very high	13 Å²	13	55.6 Å²	55.6	9%	0.088	29%	0.292	C	S	.	.	S	Bend	trans	-69.8	-41.2	-177	-68.4	0	0	0	0	113.4	N297 G309 T310 C330 R332	N297-C299 WeakPolarHBondContact OD1-CB 3.44Å; N297-C299 PolarHBondContact OD1-N 2.9Å; N297-C299 PolarHBondContact OD1-SG 3.13Å; C299-G309 WeakPolarHBondContact O-CA 3.35Å; C299-T310 PolarHBondContact O-N 3.04Å; C299-T310 PolarHBondContact O-OG1 3.32Å; C299-C330 HydrophobicContact CB-CB 3.68Å; C299-C330 WeakPolarHBondContact CB-SG 3.32Å; C299-C330 WeakPolarHBondContact SG-CB 3.5Å; C299-C330 CovalentContact SG-SG 2.03Å; C299-C330 PolarHBondContact SG-SG 3.22Å; C299-R332 PolarHBondContact O-NH1 3.2Å; C299-R332 VanDerWaalsContact O-NH1 3.08Å
300	S	93.5	Very high	91.8	Very high	64 Å²	64	55.6 Å²	55.6	45%	0.448	29%	0.292	S	S	.	.	S	Bend	trans	-110.2	152.7	-177.7	54.6	0	0	0	0	111.6	N302 T307	S300-N302 PolarHBondContact O-N 3.41Å; S300-T307 PolarHBondContact O-OG1 2.02Å; S300-T307 VanDerWaalsContact O-OG1 3.09Å
301	Y	91.6	Very high	91.6	Very high	164 Å²	164	59.2 Å²	59.2	64%	0.643	32%	0.317	S	S	*	.			trans	-63.6	132.8	171.9	176.6	-92.7	0	0	0	110.1	T307	Y301-T307 WeakPolarHBondContact CA-O 3.43Å; Y301-T307 WeakPolarHBondContact CD2-O 3.5Å
302	N	90.4	Very high	91.4	Very high	66 Å²	66	59.5 Å²	59.5	35%	0.353	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-147.5	107.6	171.7	-178.5	-17.3	0	0	0	110.3	S300 K304 T305 G306 T307	S300-N302 PolarHBondContact O-N 3.41Å; N302-K304 PolarHBondContact O-N 3.47Å; N302-K304 WeakPolarHBondContact OD1-CB 3.3Å; N302-K304 PolarHBondContact OD1-N 3.2Å; N302-T305 VanDerWaalsContact CB-OG1 3.29Å; N302-T305 WeakPolarHBondContact CB-OG1 3.37Å; N302-T305 VanDerWaalsContact CG-OG1 3.25Å; N302-T305 PolarHBondContact O-N 3.01Å; N302-T305 PolarHBondContact O-OG1 3.36Å; N302-T305 PolarHBondContact OD1-N 3.25Å; N302-G306 WeakPolarHBondContact O-CA 3.26Å; N302-G306 PolarHBondContact O-N 3.01Å; N302-T307 WeakPolarHBondContact CB-OG1 3.24Å; N302-T307 PolarHBondContact N-O 3.47Å; N302-T307 PolarHBondContact N-OG1 2.98Å; N302-T307 PolarHBondContact O-N 3.39Å; N302-T307 VanDerWaalsContact O-N 3.09Å
303	G	86.6	Confident	91.3	Very high	28 Å²	28	59.8 Å²	59.8	29%	0.289	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.1	-178.9	0	0	0	0	0	115.1	K114	K114-G303 PolarHBondContact NZ-O 3.47Å
304	K	84.9	Confident	91.2	Very high	189 Å²	189	61.4 Å²	61.4	82%	0.822	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-47.2	174.9	-64.9	-178.3	178.4	177.5	0	110.8	N302	N302-K304 PolarHBondContact O-N 3.47Å; N302-K304 WeakPolarHBondContact OD1-CB 3.3Å; N302-K304 PolarHBondContact OD1-N 3.2Å
305	T	81.3	Confident	91.2	Very high	21 Å²	21	54.6 Å²	54.6	13%	0.129	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-18	177.3	48.5	0	0	0	0	112.9	P296 N302 T307	P296-T305 HydrophobicContact CB-CG2 4.09Å; N302-T305 VanDerWaalsContact CB-OG1 3.29Å; N302-T305 WeakPolarHBondContact CB-OG1 3.37Å; N302-T305 VanDerWaalsContact CG-OG1 3.25Å; N302-T305 PolarHBondContact O-N 3.01Å; N302-T305 PolarHBondContact O-OG1 3.36Å; N302-T305 PolarHBondContact OD1-N 3.25Å; T305-T307 PolarHBondContact OG1-OG1 3.44Å
306	G	83.1	Confident	91.1	Very high	32 Å²	32	56.1 Å²	56.1	33%	0.33	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	23	-176.1	0	0	0	0	0	113.4	N302	N302-G306 WeakPolarHBondContact O-CA 3.26Å; N302-G306 PolarHBondContact O-N 3.01Å
307	T	88	Confident	91.1	Very high	6 Å²	6	57.6 Å²	57.6	4%	0.037	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-84.4	132.5	177	57.1	0	0	0	0	109.9	P296 F298 S300 Y301 N302 T305	P296-T307 HydrophobicContact CB-CG2 4.38Å; P296-T307 HydrophobicContact CG-CG2 4.06Å; F298-T307 HydrophobicContact CD1-CG2 3.58Å; F298-T307 HydrophobicContact CE1-CG2 3.92Å; S300-T307 PolarHBondContact O-OG1 2.02Å; S300-T307 VanDerWaalsContact O-OG1 3.09Å; Y301-T307 WeakPolarHBondContact CA-O 3.43Å; Y301-T307 WeakPolarHBondContact CD2-O 3.5Å; N302-T307 WeakPolarHBondContact CB-OG1 3.24Å; N302-T307 PolarHBondContact N-O 3.47Å; N302-T307 PolarHBondContact N-OG1 2.98Å; N302-T307 PolarHBondContact O-N 3.39Å; N302-T307 VanDerWaalsContact O-N 3.09Å; T305-T307 PolarHBondContact OG1-OG1 3.44Å
308	L	89	Confident	91	Very high	118 Å²	118	58 Å²	58	62%	0.618	34%	0.343	S	S	*	.			trans	-82.6	-21.5	-180	-64.1	177.8	0	0	0	113.1	P104	P104-L308 HydrophobicContact CB-CD1 3.67Å; P104-L308 HydrophobicContact CG-CD1 4.48Å
309	G	92.8	Very high	90.8	Very high	17 Å²	17	58.2 Å²	58.2	18%	0.175	35%	0.348	C	S	.	.			trans	86.1	177	-170.7	0	0	0	0	0	112.6	F298 C299	F298-G309 CarbonylContact O-C 3.55Å; F298-G309 WeakPolarHBondContact O-CA 3.31Å; C299-G309 WeakPolarHBondContact O-CA 3.35Å
310	T	94.9	Very high	90.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	38%	0.382	C	S	.	.	S	Bend	trans	-109.8	-0.8	-179.9	57.2	0	0	0	0	114.4	R100 C299 R313 L328 R332 C369	R100-T310 HydrophobicContact CB-CG2 3.91Å; R100-T310 HydrophobicContact CG-CG2 4.11Å; C299-T310 PolarHBondContact O-N 3.04Å; C299-T310 PolarHBondContact O-OG1 3.32Å; T310-R313 VanDerWaalsContact O-CB 3.31Å; T310-R313 WeakPolarHBondContact O-CB 3.21Å; T310-R313 WeakPolarHBondContact O-CG 3.33Å; T310-R313 PolarHBondContact O-N 3.06Å; T310-L328 WeakPolarHBondContact CB-O 3.3Å; T310-L328 WeakPolarHBondContact CG2-O 3.48Å; T310-L328 PolarHBondContact OG1-O 3.22Å; T310-R332 PolarHBondContact OG1-NH2 2.87Å; T310-C369 WeakPolarHBondContact O-CB 3.32Å
311	S	93.8	Very high	90.5	Very high	76 Å²	76	61.8 Å²	61.8	53%	0.531	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	140.4	175.9	-179.5	0	0	0	0	110.9	R313 L370	S311-R313 PolarHBondContact O-N 2.94Å; S311-L370 WeakPolarHBondContact CB-OXT 3.27Å; S311-L370 PolarHBondContact OG-OXT 2.93Å
312	G	92.4	Very high	90.5	Very high	43 Å²	43	57.8 Å²	57.8	44%	0.443	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	1	-177.2	0	0	0	0	0	115.3	C369	G312-C369 PolarHBondContact N-O 3.47Å
313	R	93.4	Very high	90.5	Very high	35 Å²	35	56.5 Å²	56.5	13%	0.132	36%	0.357	C	S	.	.			trans	-81.3	138.2	178.8	-68.4	-168.1	62	-175.4	-6.9	112.2	R97 R99 R100 T310 S311 Q368 C369	R97-R313 PolarHBondContact O-NH2 3.1Å; R99-R313 VanDerWaalsContact O-CZ 3.31Å; R99-R313 PolarHBondContact O-NH1 3.44Å; R99-R313 PolarHBondContact O-NH2 3.45Å; R100-R313 VanDerWaalsContact C-NH1 3.32Å; R100-R313 PolarHBondContact O-NH1 3.47Å; T310-R313 VanDerWaalsContact O-CB 3.31Å; T310-R313 WeakPolarHBondContact O-CB 3.21Å; T310-R313 WeakPolarHBondContact O-CG 3.33Å; T310-R313 PolarHBondContact O-N 3.06Å; S311-R313 PolarHBondContact O-N 2.94Å; R313-Q368 CarbonylContact O-C 3.54Å; R313-Q368 WeakPolarHBondContact O-CA 3.43Å; R313-C369 PolarHBondContact O-N 3.38Å
314	T	93.6	Very high	90.9	Very high	84 Å²	84	55.2 Å²	55.2	52%	0.515	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132.8	170.5	-49.9	0	0	0	0	110.8	L328 L366 H367	T314-L328 WeakPolarHBondContact O-CD2 3.28Å; T314-L366 HydrophobicContact CG2-CD1 4.07Å; T314-L366 HydrophobicContact CG2-CG 4.04Å; T314-H367 CarbonylContact C-O 3.55Å; T314-H367 VanDerWaalsContact CA-O 3.22Å; T314-H367 WeakPolarHBondContact CA-O 3.39Å
315	C	93.9	Very high	91.4	Very high	11 Å²	11	46.5 Å²	46.5	7%	0.074	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	161.8	177.7	63.9	0	0	0	0	111.1	C325 L328 C329 H367	C315-C325 VanDerWaalsContact C-SG 3.56Å; C315-C325 HydrophobicContact CB-CB 3.82Å; C315-C325 WeakPolarHBondContact CB-SG 3.39Å; C315-C325 VanDerWaalsContact SG-CA 3.52Å; C315-C325 WeakPolarHBondContact SG-CB 3.46Å; C315-C325 CovalentContact SG-SG 2.03Å; C315-C325 PolarHBondContact SG-SG 3.07Å; C315-L328 HydrophobicContact CB-CB 4.42Å; C315-L328 HydrophobicContact CB-CD2 3.87Å; C315-C329 VanDerWaalsContact SG-SG 3.66Å; C315-H367 PolarHBondContact N-O 3.5Å
316	N	93.9	Very high	91.9	Very high	67 Å²	67	53 Å²	53	36%	0.358	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-98	117.2	174.5	-173.3	-10.5	0	0	0	109.4	S318 D323 G324 C325	N316-S318 VanDerWaalsContact C-N 3.29Å; N316-S318 PolarHBondContact O-N 3.18Å; N316-S318 PolarHBondContact OD1-N 3.05Å; N316-D323 PolarHBondContact N-O 3.02Å; N316-D323 PolarHBondContact ND2-OD2 3.43Å; N316-G324 CarbonylContact O-C 3.53Å; N316-G324 VanDerWaalsContact O-CA 3.24Å; N316-G324 WeakPolarHBondContact O-CA 3.05Å; N316-C325 PolarHBondContact O-N 2.74Å
317	S	92.6	Very high	92.4	Very high	53 Å²	53	54.6 Å²	54.6	37%	0.371	34%	0.336	S	S	.	.	S	Bend	trans	-73.2	-23.4	-179.1	58.9	0	0	0	0	113	H367	S317-H367 PolarHBondContact OG-CD2 3.33Å; S317-H367 VanDerWaalsContact OG-CD2 3.26Å; S317-H367 PolarHBondContact OG-NE2 3.27Å
318	S	91.2	Very high	92.7	Very high	107 Å²	107	54.5 Å²	54.5	75%	0.748	34%	0.335	S	S	*	.	S	Bend	trans	-92.2	-13.8	-176.4	-55.7	0	0	0	0	113.6	N316	N316-S318 VanDerWaalsContact C-N 3.29Å; N316-S318 PolarHBondContact O-N 3.18Å; N316-S318 PolarHBondContact OD1-N 3.05Å
319	S	92.6	Very high	93	Very high	29 Å²	29	48.9 Å²	48.9	20%	0.203	31%	0.305	C	S	.	.			trans	-87.1	128	-179.3	-178.9	0	0	0	0	111	G321 D323 G324	S319-G321 PolarHBondContact O-N 3.28Å; S319-G321 PolarHBondContact OG-N 3.24Å; S319-D323 WeakPolarHBondContact CB-OD1 3.32Å; S319-D323 WeakPolarHBondContact CB-OD2 2.97Å; S319-D323 VanDerWaalsContact OG-CG 3.3Å; S319-D323 PolarHBondContact OG-OD1 3.41Å; S319-D323 PolarHBondContact OG-OD2 3.16Å; S319-G324 WeakPolarHBondContact O-CA 3.03Å
320	P	90.6	Very high	93.1	Very high	124 Å²	124	49.8 Å²	49.8	81%	0.805	31%	0.309	S	S	*	.			trans	-78.4	-5	167.7	33.8	-35	0	0	0	112.4
321	G	90.8	Very high	93	Very high	27 Å²	27	53 Å²	53	28%	0.278	34%	0.342	S	S	.	.	S	Bend	trans	-80.1	-168.2	-176.5	0	0	0	0	0	114	S319 D323 G324	S319-G321 PolarHBondContact O-N 3.28Å; S319-G321 PolarHBondContact OG-N 3.24Å; G321-D323 VanDerWaalsContact C-N 3.25Å; G321-D323 PolarHBondContact O-N 3.03Å; G321-G324 WeakPolarHBondContact O-CA 3.06Å; G321-G324 PolarHBondContact O-N 3.12Å
322	L	90	Very high	93	Very high	81 Å²	81	53.9 Å²	53.9	42%	0.424	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.9	-177.1	-63.5	165.9	0	0	0	113.9	N98 L327	N98-L322 CarbonylContact O-C 3.48Å; L322-L327 HydrophobicContact CD2-CD1 4.32Å
323	D	91.2	Very high	93	Very high	39 Å²	39	53.4 Å²	53.4	21%	0.209	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-11.4	170	63.8	-46.1	0	0	0	112.8	N98 N316 S319 G321	N98-D323 HydrophobicContact CB-CB 3.88Å; N316-D323 PolarHBondContact N-O 3.02Å; N316-D323 PolarHBondContact ND2-OD2 3.43Å; S319-D323 WeakPolarHBondContact CB-OD1 3.32Å; S319-D323 WeakPolarHBondContact CB-OD2 2.97Å; S319-D323 VanDerWaalsContact OG-CG 3.3Å; S319-D323 PolarHBondContact OG-OD1 3.41Å; S319-D323 PolarHBondContact OG-OD2 3.16Å; G321-D323 VanDerWaalsContact C-N 3.25Å; G321-D323 PolarHBondContact O-N 3.03Å
324	G	95	Very high	93.1	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.01	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-59.5	139.5	176.5	0	0	0	0	0	112.7	N316 S319 G321 E326 L327 L328	N316-G324 CarbonylContact O-C 3.53Å; N316-G324 VanDerWaalsContact O-CA 3.24Å; N316-G324 WeakPolarHBondContact O-CA 3.05Å; S319-G324 WeakPolarHBondContact O-CA 3.03Å; G321-G324 WeakPolarHBondContact O-CA 3.06Å; G321-G324 PolarHBondContact O-N 3.12Å; G324-E326 PolarHBondContact O-N 3.19Å; G324-L327 PolarHBondContact O-N 3.08Å; G324-L328 VanDerWaalsContact O-CB 3.25Å; G324-L328 WeakPolarHBondContact O-CB 3.4Å; G324-L328 PolarHBondContact O-N 3.34Å
325	C	94.5	Very high	93.2	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.034	34%	0.34	C	S	.	.	H	α-helix	trans	-58.6	-33.5	178.4	-66.2	0	0	0	0	113	C315 N316 C329 F334	C315-C325 VanDerWaalsContact C-SG 3.56Å; C315-C325 HydrophobicContact CB-CB 3.82Å; C315-C325 WeakPolarHBondContact CB-SG 3.39Å; C315-C325 VanDerWaalsContact SG-CA 3.52Å; C315-C325 WeakPolarHBondContact SG-CB 3.46Å; C315-C325 CovalentContact SG-SG 2.03Å; C315-C325 PolarHBondContact SG-SG 3.07Å; N316-C325 PolarHBondContact O-N 2.74Å; C325-C329 WeakPolarHBondContact O-CB 3.36Å; C325-C329 PolarHBondContact O-N 2.02Å; C325-C329 PolarHBondContact O-SG 2.99Å; C325-F334 HydrophobicContact CB-CB 4.5Å; C325-F334 HydrophobicContact CB-CD1 3.36Å; C325-F334 HydrophobicContact CB-CE1 3.63Å; C325-F334 HydrophobicContact CB-CG 3.98Å; C325-F334 HydrophobicContact CB-CZ 4.44Å
326	E	92.9	Very high	93.2	Very high	157 Å²	157	60.6 Å²	60.6	73%	0.734	36%	0.359	S	S	*	.	H	α-helix	trans	-60.2	-51.9	177.2	-173.5	178.3	177.8	0	0	112.1	G324 C330 G331	G324-E326 PolarHBondContact O-N 3.19Å; E326-C330 PolarHBondContact O-N 3.01Å; E326-G331 PolarHBondContact O-N 3.35Å
327	L	93.4	Very high	93.1	Very high	66 Å²	66	62.2 Å²	62.2	35%	0.346	36%	0.364	S	S	.	.	H	α-helix	trans	-78.7	-37.5	-177.5	-67.3	-178.4	0	0	0	112.7	R100 L322 G324	R100-L327 VanDerWaalsContact CZ-O 3.26Å; R100-L327 PolarHBondContact NE-O 3.43Å; R100-L327 PolarHBondContact NH2-O 3.02Å; L322-L327 HydrophobicContact CD2-CD1 4.32Å; G324-L327 PolarHBondContact O-N 3.08Å
328	L	94.8	Very high	93.1	Very high	4 Å²	4	64.6 Å²	64.6	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-74.4	-40	-177.7	-167.1	65.8	0	0	0	112	R100 T310 T314 C315 G324 C330	R100-L328 HydrophobicContact CG-CD1 4.25Å; T310-L328 WeakPolarHBondContact CB-O 3.3Å; T310-L328 WeakPolarHBondContact CG2-O 3.48Å; T310-L328 PolarHBondContact OG1-O 3.22Å; T314-L328 WeakPolarHBondContact O-CD2 3.28Å; C315-L328 HydrophobicContact CB-CB 4.42Å; C315-L328 HydrophobicContact CB-CD2 3.87Å; G324-L328 VanDerWaalsContact O-CB 3.25Å; G324-L328 WeakPolarHBondContact O-CB 3.4Å; G324-L328 PolarHBondContact O-N 3.34Å; L328-C330 VanDerWaalsContact C-N 3.26Å; L328-C330 PolarHBondContact O-N 3.44Å
329	C	95.1	Very high	93	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0.1	179.5	-47.3	0	0	0	0	113	C315 C325 G331 R332 G333 C369	C315-C329 VanDerWaalsContact SG-SG 3.66Å; C325-C329 WeakPolarHBondContact O-CB 3.36Å; C325-C329 PolarHBondContact O-N 2.02Å; C325-C329 PolarHBondContact O-SG 2.99Å; C329-G331 VanDerWaalsContact C-N 3.27Å; C329-G331 PolarHBondContact O-N 2.99Å; C329-R332 WeakPolarHBondContact O-CB 3.49Å; C329-R332 PolarHBondContact O-N 3.24Å; C329-G333 WeakPolarHBondContact CB-O 3.41Å; C329-C369 WeakPolarHBondContact CA-SG 3.19Å; C329-C369 HydrophobicContact CB-CB 3.58Å; C329-C369 WeakPolarHBondContact CB-SG 2.98Å; C329-C369 WeakPolarHBondContact SG-CA 3.22Å; C329-C369 WeakPolarHBondContact SG-CB 3.35Å; C329-C369 CovalentContact SG-SG 2.04Å; C329-C369 PolarHBondContact SG-SG 2.73Å
330	C	94.6	Very high	93	Very high	37 Å²	37	67.3 Å²	67.3	25%	0.25	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	39.8	175.5	-50.3	0	0	0	0	113.1	C299 E326 L328 R332	C299-C330 HydrophobicContact CB-CB 3.68Å; C299-C330 WeakPolarHBondContact CB-SG 3.32Å; C299-C330 WeakPolarHBondContact SG-CB 3.5Å; C299-C330 CovalentContact SG-SG 2.03Å; C299-C330 PolarHBondContact SG-SG 3.22Å; E326-C330 PolarHBondContact O-N 3.01Å; L328-C330 VanDerWaalsContact C-N 3.26Å; L328-C330 PolarHBondContact O-N 3.44Å; C330-R332 VanDerWaalsContact C-N 3.28Å; C330-R332 PolarHBondContact O-N 3.18Å
331	G	92.3	Very high	93.1	Very high	67 Å²	67	63.2 Å²	63.2	69%	0.691	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	3	179.4	0	0	0	0	0	116.1	E326 C329 G333	E326-G331 PolarHBondContact O-N 3.35Å; C329-G331 VanDerWaalsContact C-N 3.27Å; C329-G331 PolarHBondContact O-N 2.99Å; G331-G333 PolarHBondContact O-N 3.49Å
332	R	93.6	Very high	93.2	Very high	94 Å²	94	66 Å²	66	36%	0.355	37%	0.368	S	S	.	.	S	Bend	trans	-76.8	-7.3	179.3	-61.5	-169.1	-58.4	-88.5	-4.6	114.5	C299 T310 C329 C330 L370	C299-R332 PolarHBondContact O-NH1 3.2Å; C299-R332 VanDerWaalsContact O-NH1 3.08Å; T310-R332 PolarHBondContact OG1-NH2 2.87Å; C329-R332 WeakPolarHBondContact O-CB 3.49Å; C329-R332 PolarHBondContact O-N 3.24Å; C330-R332 VanDerWaalsContact C-N 3.28Å; C330-R332 PolarHBondContact O-N 3.18Å; R332-L370 PolarHBondContact NE-O 2.97Å; R332-L370 PolarHBondContact NH2-O 3.17Å
333	G	92.9	Very high	93.4	Very high	33 Å²	33	66 Å²	66	34%	0.34	37%	0.366	S	S	.	.			trans	82.4	-178.8	-170.7	0	0	0	0	0	113.2	C329 G331 L370	C329-G333 WeakPolarHBondContact CB-O 3.41Å; G331-G333 PolarHBondContact O-N 3.49Å; G333-L370 PolarHBondContact O-N 3.31Å
334	F	95.2	Very high	93.5	Very high	79 Å²	79	73.6 Å²	73.6	35%	0.346	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150	-179	58.2	-88.6	0	0	0	111.1	C325 H367 Q368	C325-F334 HydrophobicContact CB-CB 4.5Å; C325-F334 HydrophobicContact CB-CD1 3.36Å; C325-F334 HydrophobicContact CB-CE1 3.63Å; C325-F334 HydrophobicContact CB-CG 3.98Å; C325-F334 HydrophobicContact CB-CZ 4.44Å; F334-H367 HydrophobicContact CD2-CB 3.72Å; F334-H367 AromaticContact CD2-CG 3.98Å; F334-H367 AromaticContact CD2-ND1 3.75Å; F334-H367 HydrophobicContact CE2-CB 4.18Å; F334-H367 AromaticContact CE2-CG 3.95Å; F334-H367 AromaticContact CE2-ND1 3.48Å; F334-H367 WeakPolarHBondContact CE2-ND1 3.34Å; F334-H367 HydrophobicContact CG-CB 4.41Å; F334-Q368 CarbonylContact C-O 3.46Å; F334-Q368 WeakPolarHBondContact CA-O 3.36Å; F334-Q368 VanDerWaalsContact CB-O 3.27Å; F334-Q368 WeakPolarHBondContact CB-O 3.4Å
335	K	94.9	Very high	93.5	Very high	127 Å²	127	74.6 Å²	74.6	55%	0.552	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.9	169.7	-175	-179	-175.8	-173.7	0	109.4	H367 Q368 L370	K335-H367 CarbonylContact O-C 3.49Å; K335-H367 WeakPolarHBondContact O-CA 3.43Å; K335-Q368 PolarHBondContact N-O 3.45Å; K335-Q368 PolarHBondContact O-N 3.23Å; K335-L370 HydrophobicContact CB-CD2 4.1Å
336	T	94.4	Very high	93.5	Very high	75 Å²	75	81.3 Å²	81.3	46%	0.46	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.9	172.8	-58.4	0	0	0	0	109.7	L366 H367	T336-L366 WeakPolarHBondContact CA-O 3.2Å; T336-H367 PolarHBondContact OG1-ND1 3.18Å
337	Q	91.6	Very high	93.6	Very high	102 Å²	102	77 Å²	77	48%	0.477	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135	176.1	-175.4	172.9	6	0	0	109.5	L366	Q337-L366 PolarHBondContact N-O 3.47Å; Q337-L366 PolarHBondContact O-N 3.04Å
338	T	92.3	Very high	93.7	Very high	103 Å²	103	77.4 Å²	77.4	63%	0.632	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.8	171.2	47.8	0	0	0	0	109.6	R364 T365	T338-R364 WeakPolarHBondContact CA-O 3.26Å; T338-T365 HydrophobicContact CG2-CG2 3.9Å
339	E	90.2	Very high	93.7	Very high	109 Å²	109	83.5 Å²	83.5	51%	0.509	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.5	177.2	-171	175.6	-167.3	0	0	109.9	V341 R364	E339-V341 HydrophobicContact CG-CG2 4.36Å; E339-V341 PolarHBondContact O-N 3.24Å; E339-R364 PolarHBondContact N-O 3.28Å; E339-R364 PolarHBondContact O-N 3.26Å
340	S	91.9	Very high	93.7	Very high	83 Å²	83	87.2 Å²	87.2	58%	0.58	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	110	171.3	57.6	0	0	0	0	109.2
341	V	92.4	Very high	93.3	Very high	38 Å²	38	96.8 Å²	96.8	23%	0.23	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.7	178.9	-178.2	0	0	0	0	108.6	E339 S362 R364	E339-V341 HydrophobicContact CG-CG2 4.36Å; E339-V341 PolarHBondContact O-N 3.24Å; V341-S362 PolarHBondContact N-O 3.26Å; V341-S362 PolarHBondContact O-N 3.44Å; V341-R364 HydrophobicContact CG2-CB 4.34Å; V341-R364 HydrophobicContact CG2-CG 4.36Å
342	T	94.3	Very high	92.7	Very high	86 Å²	86	98.8 Å²	98.8	53%	0.528	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.2	172.9	-51.4	0	0	0	0	109.1	N359 C360	T342-N359 HydrophobicContact CG2-CB 3.85Å; T342-C360 CarbonylContact C-O 3.51Å; T342-C360 WeakPolarHBondContact CA-O 3.15Å
343	E	93.8	Very high	92.4	Very high	82 Å²	82	99.8 Å²	99.8	38%	0.383	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.7	177.1	67.1	-171	163.4	0	0	111.7	C345 C360 R364	E343-C345 PolarHBondContact O-N 3.37Å; E343-C360 PolarHBondContact N-O 3.05Å; E343-C360 PolarHBondContact O-N 2.82Å; E343-R364 IonicContact OE1-CZ 3.63Å; E343-R364 IonicContact OE1-NH2 2.7Å; E343-R364 PolarHBondContact OE1-NH2 3.39Å; E343-R364 IonicContact OE2-CZ 2.84Å; E343-R364 IonicContact OE2-NH1 3.51Å; E343-R364 IonicContact OE2-NH2 3.46Å; E343-R364 PolarHBondContact OE2-NH2 3.18Å
344	R	94.1	Very high	92.3	Very high	198 Å²	198	103.3 Å²	103.3	75%	0.747	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	120.8	174.5	-70.1	-172.4	-177.9	153.4	1.3	108.8	C357 L358	R344-C357 HydrophobicContact CB-CB 3.88Å; R344-C357 HydrophobicContact CG-CB 4.21Å; R344-L358 WeakPolarHBondContact CA-O 3.45Å
345	C	94.4	Very high	92.3	Very high	21 Å²	21	103.9 Å²	103.9	14%	0.142	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	166.8	-178.7	63.3	0	0	0	0	109.7	E343 C347 L358 C360	E343-C345 PolarHBondContact O-N 3.37Å; C345-C347 VanDerWaalsContact C-N 3.26Å; C345-C347 PolarHBondContact O-N 3.47Å; C345-L358 PolarHBondContact N-O 3.21Å; C345-L358 PolarHBondContact O-N 3.3Å; C345-L358 PolarHBondContact SG-O 3.49Å; C345-L358 VanDerWaalsContact SG-O 3.35Å; C345-C360 HydrophobicContact CB-CB 3.6Å; C345-C360 WeakPolarHBondContact CB-SG 3.03Å; C345-C360 WeakPolarHBondContact SG-CB 3.3Å; C345-C360 PolarHBondContact SG-N 2.64Å; C345-C360 VanDerWaalsContact SG-N 3.36Å; C345-C360 CovalentContact SG-SG 2Å; C345-C360 PolarHBondContact SG-SG 3.1Å
346	H	94.8	Very high	92.4	Very high	146 Å²	146	100.5 Å²	100.5	68%	0.676	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	49.4	47.3	174.9	-55.8	114.1	0	0	0	112.9	T348 L358	H346-T348 PolarHBondContact O-N 2.94Å; H346-L358 HydrophobicContact CB-CD1 4.26Å
347	C	95.4	Very high	92.5	Very high	68 Å²	68	98.7 Å²	98.7	46%	0.459	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.5	-178.4	-65.8	0	0	0	0	111	C345 V355 S356 C357	C345-C347 VanDerWaalsContact C-N 3.26Å; C345-C347 PolarHBondContact O-N 3.47Å; C347-V355 HydrophobicContact CB-CG1 3.86Å; C347-S356 CarbonylContact C-O 3.57Å; C347-S356 VanDerWaalsContact CA-O 3.26Å; C347-S356 WeakPolarHBondContact CA-O 3.4Å; C347-C357 HydrophobicContact CB-CB 4.12Å; C347-C357 WeakPolarHBondContact CB-SG 3.45Å; C347-C357 WeakPolarHBondContact SG-CB 3.07Å; C347-C357 CovalentContact SG-SG 2.04Å; C347-C357 PolarHBondContact SG-SG 3.05Å
348	T	94.8	Very high	92.7	Very high	73 Å²	73	99 Å²	99	45%	0.448	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.4	173.6	54.1	0	0	0	0	110.2	H346 H350 V355 S356	H346-T348 PolarHBondContact O-N 2.94Å; T348-H350 PolarHBondContact OG1-NE2 3.31Å; T348-H350 VanDerWaalsContact OG1-NE2 3.09Å; T348-V355 WeakPolarHBondContact O-CA 3.48Å; T348-S356 PolarHBondContact N-O 2.99Å; T348-S356 PolarHBondContact O-N 2.61Å
349	F	95.5	Very high	92.9	Very high	133 Å²	133	99.8 Å²	99.8	58%	0.583	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.3	171.5	179	-102.1	0	0	0	109.6	W351 V355	F349-W351 HydrophobicContact CE1-CB 4.33Å; F349-V355 HydrophobicContact CD2-CG2 3.87Å
350	H	93.5	Very high	93.1	Very high	78 Å²	78	96.6 Å²	96.6	36%	0.361	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	115.5	172.8	-63.8	-85.1	0	0	0	108.5	T348 C352 C353 H354	T348-H350 PolarHBondContact OG1-NE2 3.31Å; T348-H350 VanDerWaalsContact OG1-NE2 3.09Å; H350-C352 PolarHBondContact O-N 3.5Å; H350-C353 PolarHBondContact O-N 3.37Å; H350-H354 WeakPolarHBondContact CB-CE1 3.21Å; H350-H354 AromaticContact CD2-CD2 3.8Å; H350-H354 AromaticContact CD2-CE1 3.96Å; H350-H354 AromaticContact CD2-NE2 3.33Å; H350-H354 PolarHBondContact CD2-NE2 3.14Å; H350-H354 VanDerWaalsContact CD2-NE2 3.33Å; H350-H354 AromaticContact CG-CE1 3.66Å; H350-H354 AromaticContact CG-NE2 3.49Å; H350-H354 PolarHBondContact N-O 3.07Å; H350-H354 PolarHBondContact O-N 3.49Å
351	W	87.6	Confident	93.3	Very high	238 Å²	238	97.3 Å²	97.3	90%	0.902	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	132.3	175.4	-161.4	85.1	0	0	0	108.9	F349	F349-W351 HydrophobicContact CE1-CB 4.33Å
352	C	78.7	Confident	93.3	Very high	109 Å²	109	98 Å²	98	74%	0.736	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	32.3	-154.1	-146.9	0	0	0	0	115.2	H350	H350-C352 PolarHBondContact O-N 3.5Å
353	C	87	Confident	93.2	Very high	114 Å²	114	99.3 Å²	99.3	77%	0.77	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	34.4	144	-56.4	0	0	0	0	119.1	H350	H350-C353 PolarHBondContact O-N 3.37Å
354	H	92.3	Very high	93	Very high	107 Å²	107	101 Å²	101	50%	0.495	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.1	165.8	71.7	-79.4	0	0	0	112.8	H350	H350-H354 WeakPolarHBondContact CB-CE1 3.21Å; H350-H354 AromaticContact CD2-CD2 3.8Å; H350-H354 AromaticContact CD2-CE1 3.96Å; H350-H354 AromaticContact CD2-NE2 3.33Å; H350-H354 PolarHBondContact CD2-NE2 3.14Å; H350-H354 VanDerWaalsContact CD2-NE2 3.33Å; H350-H354 AromaticContact CG-CE1 3.66Å; H350-H354 AromaticContact CG-NE2 3.49Å; H350-H354 PolarHBondContact N-O 3.07Å; H350-H354 PolarHBondContact O-N 3.49Å
355	V	95.3	Very high	92.9	Very high	91 Å²	91	96.1 Å²	96.1	55%	0.552	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.8	171.1	179.1	0	0	0	0	107.1	C347 T348 F349	C347-V355 HydrophobicContact CB-CG1 3.86Å; T348-V355 WeakPolarHBondContact O-CA 3.48Å; F349-V355 HydrophobicContact CD2-CG2 3.87Å
356	S	95.3	Very high	92.8	Very high	56 Å²	56	97.2 Å²	97.2	39%	0.392	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.4	170.7	-171.3	0	0	0	0	108.6	C347 T348	C347-S356 CarbonylContact C-O 3.57Å; C347-S356 VanDerWaalsContact CA-O 3.26Å; C347-S356 WeakPolarHBondContact CA-O 3.4Å; T348-S356 PolarHBondContact N-O 2.99Å; T348-S356 PolarHBondContact O-N 2.61Å
357	C	96.8	Very high	92.8	Very high	38 Å²	38	91.4 Å²	91.4	26%	0.257	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.2	176.6	-56.2	0	0	0	0	109.5	R344 C347	R344-C357 HydrophobicContact CB-CB 3.88Å; R344-C357 HydrophobicContact CG-CB 4.21Å; C347-C357 HydrophobicContact CB-CB 4.12Å; C347-C357 WeakPolarHBondContact CB-SG 3.45Å; C347-C357 WeakPolarHBondContact SG-CB 3.07Å; C347-C357 CovalentContact SG-SG 2.04Å; C347-C357 PolarHBondContact SG-SG 3.05Å
358	L	96.4	Very high	92.8	Very high	109 Å²	109	91.4 Å²	91.4	57%	0.571	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	154.2	167.9	-59.6	176	0	0	0	109.6	R344 C345 H346	R344-L358 WeakPolarHBondContact CA-O 3.45Å; C345-L358 PolarHBondContact N-O 3.21Å; C345-L358 PolarHBondContact O-N 3.3Å; C345-L358 PolarHBondContact SG-O 3.49Å; C345-L358 VanDerWaalsContact SG-O 3.35Å; H346-L358 HydrophobicContact CB-CD1 4.26Å
359	N	96.3	Very high	92.8	Very high	119 Å²	119	88.1 Å²	88.1	64%	0.636	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.5	109	170.2	-70.9	-20.7	0	0	0	108.3	T342	T342-N359 HydrophobicContact CG2-CB 3.85Å
360	C	95.3	Very high	92.7	Very high	42 Å²	42	87.3 Å²	87.3	28%	0.284	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.4	173.7	-72.1	0	0	0	0	109.8	T342 E343 C345	T342-C360 CarbonylContact C-O 3.51Å; T342-C360 WeakPolarHBondContact CA-O 3.15Å; E343-C360 PolarHBondContact N-O 3.05Å; E343-C360 PolarHBondContact O-N 2.82Å; C345-C360 HydrophobicContact CB-CB 3.6Å; C345-C360 WeakPolarHBondContact CB-SG 3.03Å; C345-C360 WeakPolarHBondContact SG-CB 3.3Å; C345-C360 PolarHBondContact SG-N 2.64Å; C345-C360 VanDerWaalsContact SG-N 3.36Å; C345-C360 CovalentContact SG-SG 2Å; C345-C360 PolarHBondContact SG-SG 3.1Å
361	T	94.4	Very high	92.6	Very high	98 Å²	98	87.8 Å²	87.8	60%	0.601	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.3	170.7	-51.3	0	0	0	0	108.9
362	S	93.4	Very high	92.9	Very high	51 Å²	51	79.8 Å²	79.8	36%	0.357	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.8	173.4	-175.8	0	0	0	0	110.1	V341	V341-S362 PolarHBondContact N-O 3.26Å; V341-S362 PolarHBondContact O-N 3.44Å
363	T	92.4	Very high	93.7	Very high	115 Å²	115	78.2 Å²	78.2	71%	0.706	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	128.2	169	48.9	0	0	0	0	109.5
364	R	90.3	Very high	94.1	Very high	117 Å²	117	76.1 Å²	76.1	44%	0.442	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.5	174.5	-70.9	-173	175	160.9	4.3	109.7	T338 E339 V341 E343	T338-R364 WeakPolarHBondContact CA-O 3.26Å; E339-R364 PolarHBondContact N-O 3.28Å; E339-R364 PolarHBondContact O-N 3.26Å; V341-R364 HydrophobicContact CG2-CB 4.34Å; V341-R364 HydrophobicContact CG2-CG 4.36Å; E343-R364 IonicContact OE1-CZ 3.63Å; E343-R364 IonicContact OE1-NH2 2.7Å; E343-R364 PolarHBondContact OE1-NH2 3.39Å; E343-R364 IonicContact OE2-CZ 2.84Å; E343-R364 IonicContact OE2-NH1 3.51Å; E343-R364 IonicContact OE2-NH2 3.46Å; E343-R364 PolarHBondContact OE2-NH2 3.18Å
365	T	91.4	Very high	94.2	Very high	96 Å²	96	74.2 Å²	74.2	59%	0.589	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	120.2	172.8	49.4	0	0	0	0	109.6	T338	T338-T365 HydrophobicContact CG2-CG2 3.9Å
366	L	92.6	Very high	94.1	Very high	43 Å²	43	73.1 Å²	73.1	23%	0.225	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.3	179.2	-172.8	128.9	0	0	0	109.6	T314 T336 Q337 Q368	T314-L366 HydrophobicContact CG2-CD1 4.07Å; T314-L366 HydrophobicContact CG2-CG 4.04Å; T336-L366 WeakPolarHBondContact CA-O 3.2Å; Q337-L366 PolarHBondContact N-O 3.47Å; Q337-L366 PolarHBondContact O-N 3.04Å; L366-Q368 HydrophobicContact CD2-CG 3.53Å; L366-Q368 VanDerWaalsContact CD2-NE2 3.32Å
367	H	94.8	Very high	94.1	Very high	25 Å²	25	74.3 Å²	74.3	12%	0.116	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.7	177.5	-52.8	-69.6	0	0	0	109.5	T314 C315 S317 F334 K335 T336	T314-H367 CarbonylContact C-O 3.55Å; T314-H367 VanDerWaalsContact CA-O 3.22Å; T314-H367 WeakPolarHBondContact CA-O 3.39Å; C315-H367 PolarHBondContact N-O 3.5Å; S317-H367 PolarHBondContact OG-CD2 3.33Å; S317-H367 VanDerWaalsContact OG-CD2 3.26Å; S317-H367 PolarHBondContact OG-NE2 3.27Å; F334-H367 HydrophobicContact CD2-CB 3.72Å; F334-H367 AromaticContact CD2-CG 3.98Å; F334-H367 AromaticContact CD2-ND1 3.75Å; F334-H367 HydrophobicContact CE2-CB 4.18Å; F334-H367 AromaticContact CE2-CG 3.95Å; F334-H367 AromaticContact CE2-ND1 3.48Å; F334-H367 WeakPolarHBondContact CE2-ND1 3.34Å; F334-H367 HydrophobicContact CG-CB 4.41Å; K335-H367 CarbonylContact O-C 3.49Å; K335-H367 WeakPolarHBondContact O-CA 3.43Å; T336-H367 PolarHBondContact OG1-ND1 3.18Å
368	Q	94.9	Very high	93.8	Very high	68 Å²	68	77.1 Å²	77.1	32%	0.318	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.5	179.4	-81.8	174.8	1.5	0	0	111.5	R313 F334 K335 L366	R313-Q368 CarbonylContact O-C 3.54Å; R313-Q368 WeakPolarHBondContact O-CA 3.43Å; F334-Q368 CarbonylContact C-O 3.46Å; F334-Q368 WeakPolarHBondContact CA-O 3.36Å; F334-Q368 VanDerWaalsContact CB-O 3.27Å; F334-Q368 WeakPolarHBondContact CB-O 3.4Å; K335-Q368 PolarHBondContact N-O 3.45Å; K335-Q368 PolarHBondContact O-N 3.23Å; L366-Q368 HydrophobicContact CD2-CG 3.53Å; L366-Q368 VanDerWaalsContact CD2-NE2 3.32Å
369	C	94.8	Very high	93.6	Very high	4 Å²	4	74.4 Å²	74.4	3%	0.027	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	140.9	175.5	-63.6	0	0	0	0	112.4	T310 G312 R313 C329	T310-C369 WeakPolarHBondContact O-CB 3.32Å; G312-C369 PolarHBondContact N-O 3.47Å; R313-C369 PolarHBondContact O-N 3.38Å; C329-C369 WeakPolarHBondContact CA-SG 3.19Å; C329-C369 HydrophobicContact CB-CB 3.58Å; C329-C369 WeakPolarHBondContact CB-SG 2.98Å; C329-C369 WeakPolarHBondContact SG-CA 3.22Å; C329-C369 WeakPolarHBondContact SG-CB 3.35Å; C329-C369 CovalentContact SG-SG 2.04Å; C329-C369 PolarHBondContact SG-SG 2.73Å
370	L	92.9	Very high	93.4	Very high	115 Å²	115	70.4 Å²	70.4	60%	0.602	39%	0.388	S	S	*	.			trans	-73.4	0	172.3	-61.2	176.6	0	0	0	112	S311 R332 G333 K335	S311-L370 WeakPolarHBondContact CB-OXT 3.27Å; S311-L370 PolarHBondContact OG-OXT 2.93Å; R332-L370 PolarHBondContact NE-O 2.97Å; R332-L370 PolarHBondContact NH2-O 3.17Å; G333-L370 PolarHBondContact O-N 3.31Å; K335-L370 HydrophobicContact CB-CD2 4.1Å

Retrieved 370 of 370 residues in 191.3 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).