A0A087XJU7_POEFO Loading...

Palmitoyl-protein thioesterase ABHD10, mitochondrial

Acts as an acyl-protein thioesterase that hydrolyzes fatty acids from acylated residues in proteins. Regulates the mitochondrial S-depalmitoylation of the nucleophilic active site residue of peroxiredoxin-5/PRDX5, a key antioxidant protein, therefore modulating mitochondrial antioxidant ability. Also catalyzes the deglucuronidation of mycophenolic acid acyl-glucuronide, an active metabolite of the immunosuppressant drug mycophenolate.

AlphaFold DB , UniProt , Accession A0A087XJU7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 290 aa.

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(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	35.3	Very low	31.6	Very low	249 Å²	249	149.9 Å²	149.9	100%	1.227	85%	0.848	S	S	*	*				0	124.2	0	-65.3	-153.4	-99.1	0	0	106.5
2	A	30.9	Very low	31.8	Very low	102 Å²	102	143.8 Å²	143.8	84%	0.843	84%	0.843	S	S	*	*			cis	-147.4	161.9	14.9	0	0	0	0	0	109.6
3	A	28.4	Very low	31.9	Very low	95 Å²	95	146.5 Å²	146.5	79%	0.785	85%	0.85	S	S	*	*			trans	-77.1	149.9	-176.6	0	0	0	0	0	113.4
4	V	31.4	Very low	32	Very low	139 Å²	139	144.4 Å²	144.4	84%	0.842	85%	0.848	S	S	*	*			trans	-137.9	114.2	148.4	178.3	0	0	0	0	108.5
5	S	32.3	Very low	32	Very low	101 Å²	101	146.3 Å²	146.3	71%	0.706	85%	0.852	S	S	*	*			trans	-64.6	149.6	166.8	167.6	0	0	0	0	110.6
6	L	31.5	Very low	32	Very low	139 Å²	139	148.8 Å²	148.8	73%	0.728	86%	0.856	S	S	*	*			trans	-169.6	106.6	140.8	-97	159	0	0	0	112.3
7	R	30.9	Very low	32.1	Very low	223 Å²	223	149.9 Å²	149.9	84%	0.842	86%	0.857	S	S	*	*			trans	65.9	118.6	132.6	-69.7	175.8	-163.5	-139.5	1.3	121.6
8	S	31.8	Very low	32.1	Very low	106 Å²	106	154.5 Å²	154.5	74%	0.741	86%	0.859	S	S	*	*			trans	-56.6	140.9	162.2	45.3	0	0	0	0	114.5
9	C	29.8	Very low	32	Very low	140 Å²	140	155.4 Å²	155.4	95%	0.946	86%	0.862	S	S	*	*			trans	-111.4	87.2	164.7	-137.5	0	0	0	0	108.3
10	S	32.8	Very low	32	Very low	102 Å²	102	152.6 Å²	152.6	71%	0.713	86%	0.86	S	S	*	*			trans	-124.2	89.6	168.7	52.2	0	0	0	0	108.5
11	R	32.6	Very low	31.9	Very low	253 Å²	253	157 Å²	157	96%	0.955	86%	0.863	S	S	*	*			trans	-135.4	99	170.5	-82.8	-172.4	171.6	-161.1	-1.7	108.8
12	G	34.3	Very low	31.9	Very low	77 Å²	77	152.3 Å²	152.3	79%	0.794	85%	0.848	S	S	*	*	S	Bend	trans	-176.6	2.9	174.3	0	0	0	0	0	116.2
13	L	33.3	Very low	31.9	Very low	178 Å²	178	151.3 Å²	151.3	93%	0.932	84%	0.84	S	S	*	*	S	Bend	trans	-134.6	23.8	-172.1	-126.1	98.6	0	0	0	116.1
14	S	32.7	Very low	32.1	Very low	118 Å²	118	152.6 Å²	152.6	83%	0.825	84%	0.843	S	S	*	*			trans	-123.4	26.1	-174.1	-155.7	0	0	0	0	115.5
15	L	31.9	Very low	32.1	Very low	172 Å²	172	153.6 Å²	153.6	90%	0.901	84%	0.843	S	S	*	*	S	Bend	trans	-123.5	19.4	-179.4	-132.5	90.6	0	0	0	116.3
16	M	32.8	Very low	31.9	Very low	187 Å²	187	154.2 Å²	154.2	92%	0.921	85%	0.845	S	S	*	*	S	Bend	trans	-127.5	11.8	178.2	-86.9	-78.6	174.8	0	0	114.6
17	L	33.1	Very low	32.3	Very low	167 Å²	167	153.1 Å²	153.1	87%	0.874	85%	0.849	S	S	*	*	S	Bend	trans	-135.9	49.4	-177.2	-76.7	166.1	0	0	0	113.1
18	R	32.2	Very low	32.6	Very low	233 Å²	233	150.8 Å²	150.8	88%	0.879	85%	0.847	S	S	*	*	S	Bend	trans	-149.5	87.7	162.8	-71	-166.8	-178.4	-158.3	-1.9	110.2
19	N	31	Very low	32.5	Very low	171 Å²	171	153.1 Å²	153.1	91%	0.914	85%	0.846	S	S	*	*			trans	159.2	86.6	142	-81.4	-16.7	0	0	0	110
20	A	30.9	Very low	32.8	Very low	100 Å²	100	155.2 Å²	155.2	83%	0.826	85%	0.847	S	S	*	*			trans	-137.3	92	156.8	0	0	0	0	0	107.4
21	R	30	Very low	32.7	Very low	245 Å²	245	158.2 Å²	158.2	93%	0.925	85%	0.849	S	S	*	*			trans	-67	133.8	165.4	-79.5	-178.8	174.4	-174.3	-1.9	107.7	A23	R21-A23 PolarHBondContact O-N 3.43Å; R21-A23 VanDerWaalsContact O-N 3.17Å
22	V	35.3	Very low	32.8	Very low	150 Å²	150	150.6 Å²	150.6	91%	0.909	84%	0.841	S	S	*	*			trans	-59.6	111.7	174	177.3	0	0	0	0	108.8
23	A	31.5	Very low	32.9	Very low	82 Å²	82	154.4 Å²	154.4	68%	0.678	84%	0.843	S	S	*	*			trans	-122.7	111.6	164.2	0	0	0	0	0	107.1	R21 L25	R21-A23 PolarHBondContact O-N 3.43Å; R21-A23 VanDerWaalsContact O-N 3.17Å; A23-L25 PolarHBondContact O-N 3.11Å
24	S	32.4	Very low	33.3	Very low	122 Å²	122	156.8 Å²	156.8	85%	0.853	84%	0.839	S	S	*	*			trans	-68.6	119.7	173.8	48.8	0	0	0	0	109.9
25	L	31.6	Very low	34.2	Very low	159 Å²	159	160.7 Å²	160.7	83%	0.832	84%	0.836	S	S	*	*			trans	-114.1	152	172.3	-82.6	159.4	0	0	0	110.2	A23	A23-L25 PolarHBondContact O-N 3.11Å
26	P	27.9	Very low	35	Very low	115 Å²	115	160.6 Å²	160.6	75%	0.747	83%	0.831	S	S	*	*			trans	-78.9	148.1	-160.1	-0.5	17.7	0	0	0	112.5	Q28	P26-Q28 PolarHBondContact O-N 3.46Å; P26-Q28 VanDerWaalsContact O-N 3.11Å
27	S	38.6	Very low	36.2	Very low	116 Å²	116	156.5 Å²	156.5	81%	0.811	81%	0.808	S	S	*	*			trans	-64.2	101.4	174	52.9	0	0	0	0	111.7
28	Q	37.4	Very low	37.8	Very low	174 Å²	174	149.6 Å²	149.6	81%	0.813	77%	0.773	S	S	*	*			trans	-156.5	136.1	159.5	-105.2	166.3	21.3	0	0	109.6	P26	P26-Q28 PolarHBondContact O-N 3.46Å; P26-Q28 VanDerWaalsContact O-N 3.11Å
29	H	31	Very low	40.4	Very low	155 Å²	155	143.8 Å²	143.8	72%	0.718	76%	0.764	S	S	*	*			trans	87	69.4	-179.7	-56.4	-66.7	0	0	0	118.2	Q31	H29-Q31 VanDerWaalsContact C-N 3.33Å; H29-Q31 PolarHBondContact O-N 2.92Å
30	L	34.7	Very low	43.5	Very low	184 Å²	184	137.8 Å²	137.8	96%	0.963	73%	0.733	S	S	*	*			trans	-83	84.1	137.3	-93.3	118.1	0	0	0	108.1
31	Q	30.7	Very low	46.7	Very low	164 Å²	164	136 Å²	136	77%	0.766	71%	0.708	S	S	*	*			trans	-90.3	113.8	155.9	-87.4	-175.8	-7.3	0	0	106.9	H29 D33	H29-Q31 VanDerWaalsContact C-N 3.33Å; H29-Q31 PolarHBondContact O-N 2.92Å; Q31-D33 PolarHBondContact O-N 2.87Å
32	A	35.2	Very low	49.9	Very low	93 Å²	93	130.4 Å²	130.4	77%	0.769	69%	0.687	S	S	*	*			trans	-55	122.8	175.6	0	0	0	0	0	110.3	R34	A32-R34 PolarHBondContact O-N 3.26Å
33	D	35.9	Very low	52.9	Low	157 Å²	157	123.6 Å²	123.6	84%	0.84	65%	0.647	S	S	*	*			trans	-53.7	103.5	166.7	-98.2	-33.2	0	0	0	109.2	Q31 R35	Q31-D33 PolarHBondContact O-N 2.87Å; D33-R35 PolarHBondContact O-N 2.79Å
34	R	41.4	Very low	56	Low	229 Å²	229	123.5 Å²	123.5	86%	0.864	64%	0.641	S	S	*	*			trans	-67.3	89.7	163.5	-79.8	-176.5	175.8	-176.2	-0.8	107	A32 H36	A32-R34 PolarHBondContact O-N 3.26Å; R34-H36 PolarHBondContact O-N 3.4Å; R34-H36 PolarHBondContact O-ND1 2.94Å
35	R	52.2	Low	58.9	Low	199 Å²	199	118.4 Å²	118.4	75%	0.751	60%	0.603	S	S	*	*			trans	-46.5	110.2	168.4	-72.1	-176.1	-173.2	175.3	2.8	108.3	D33 K37	D33-R35 PolarHBondContact O-N 2.79Å; R35-K37 PolarHBondContact O-N 3.42Å
36	H	49.8	Very low	61.7	Low	170 Å²	170	116.3 Å²	116.3	79%	0.787	60%	0.599	S	S	*	*			trans	-69.1	76.5	175	-93.9	67.7	0	0	0	109.1	R34 S38	R34-H36 PolarHBondContact O-N 3.4Å; R34-H36 PolarHBondContact O-ND1 2.94Å; H36-S38 PolarHBondContact O-N 3.27Å
37	K	57	Low	64.6	Low	102 Å²	102	118.9 Å²	118.9	44%	0.443	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-68.8	118.1	171.1	-67.3	-165.8	174.6	-162	0	107.8	R35 T39 E79	R35-K37 PolarHBondContact O-N 3.42Å; K37-T39 PolarHBondContact O-N 2.84Å; K37-E79 IonicContact NZ-OE1 2.98Å; K37-E79 PolarHBondContact NZ-OE1 2.91Å; K37-E79 IonicContact NZ-OE2 3.94Å; K37-E79 PolarHBondContact NZ-OE2 3.33Å
38	S	67.8	Low	67.2	Low	21 Å²	21	118 Å²	118	15%	0.147	59%	0.592	C	S	.	*	P	Polyproline II helix	trans	-51.4	130.6	176	51.7	0	0	0	0	110.9	H36 R54 E82	H36-S38 PolarHBondContact O-N 3.27Å; S38-R54 VanDerWaalsContact O-CD 3.3Å; S38-R54 WeakPolarHBondContact O-CD 3.3Å; S38-R54 PolarHBondContact O-NH1 2.58Å; S38-E82 PolarHBondContact OG-OE1 3.48Å
39	T	86.6	Confident	70	Confident	111 Å²	111	111.5 Å²	111.5	68%	0.681	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-61.1	143.1	-176.4	48.8	0	0	0	0	112.1	K37 Q41	K37-T39 PolarHBondContact O-N 2.84Å; T39-Q41 PolarHBondContact O-N 3.41Å
40	V	95.7	Very high	73.2	Confident	45 Å²	45	107.9 Å²	107.9	27%	0.273	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-61.2	132.2	173.2	-179.9	0	0	0	0	109.1	Y42 A52 R54 M73	V40-Y42 HydrophobicContact CG1-CD2 4.43Å; V40-Y42 HydrophobicContact CG1-CE2 3.82Å; V40-A52 HydrophobicContact CG1-CB 4.01Å; V40-R54 HydrophobicContact CG2-CG 4.38Å; V40-M73 HydrophobicContact CG1-CE 3.94Å; V40-M73 HydrophobicContact CG2-CE 3.92Å
41	Q	97.8	Very high	76.2	Confident	62 Å²	62	99.1 Å²	99.1	29%	0.29	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	159	173.3	-68.3	166.9	52.3	0	0	109.1	T39 A52 Y53	T39-Q41 PolarHBondContact O-N 3.41Å; Q41-A52 CarbonylContact O-C 3.59Å; Q41-A52 WeakPolarHBondContact O-CA 3.35Å; Q41-Y53 HydrophobicContact CB-CD1 4.14Å; Q41-Y53 HydrophobicContact CB-CD2 4.24Å; Q41-Y53 HydrophobicContact CB-CE1 3.63Å; Q41-Y53 HydrophobicContact CB-CE2 3.73Å; Q41-Y53 HydrophobicContact CB-CG 4.41Å; Q41-Y53 HydrophobicContact CG-CE2 4.38Å; Q41-Y53 PolarHBondContact N-O 3.44Å; Q41-Y53 PolarHBondContact O-N 2.93Å; Q41-Y53 PolarHBondContact OE1-OH 3.26Å
42	Y	97.9	Very high	79.5	Confident	128 Å²	128	91.3 Å²	91.3	50%	0.502	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.6	-179.5	-67.8	-90.5	0	0	0	110	V40 L51 A52 A102	V40-Y42 HydrophobicContact CG1-CD2 4.43Å; V40-Y42 HydrophobicContact CG1-CE2 3.82Å; Y42-L51 CarbonylContact C-O 3.56Å; Y42-L51 WeakPolarHBondContact CA-O 3.34Å; Y42-A52 HydrophobicContact CD1-CB 4.08Å; Y42-A52 HydrophobicContact CE1-CB 3.78Å; Y42-A102 WeakPolarHBondContact CE1-O 3.41Å
43	A	97.6	Very high	82.5	Confident	7 Å²	7	87.9 Å²	87.9	6%	0.058	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	120.8	173.7	0	0	0	0	0	109.4	K50 L51 Y53 Y121 L126	A43-K50 WeakPolarHBondContact O-CA 3.35Å; A43-L51 PolarHBondContact N-O 3.06Å; A43-L51 PolarHBondContact O-N 3.35Å; A43-L51 VanDerWaalsContact O-N 3.14Å; A43-Y53 HydrophobicContact CB-CD1 4.15Å; A43-Y53 HydrophobicContact CB-CE1 3.83Å; A43-Y121 HydrophobicContact CB-CE1 3.68Å; A43-L126 HydrophobicContact CB-CD1 4.09Å; A43-L126 HydrophobicContact CB-CD2 4.09Å
44	S	96.4	Very high	85.5	Confident	80 Å²	80	82.2 Å²	82.2	56%	0.559	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	134.9	175.2	-62.2	0	0	0	0	110.2	Y121	S44-Y121 PolarHBondContact O-OH 2.96Å
45	R	94.4	Very high	88.1	Confident	15 Å²	15	75 Å²	75	6%	0.057	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.5	-175.6	-58.7	-172.1	-64.1	171.9	-4.2	107.7	D47 L48 P49 L51 T98 D118 Y121	R45-D47 PolarHBondContact O-N 3.17Å; R45-L48 HydrophobicContact CB-CB 3.7Å; R45-L48 HydrophobicContact CB-CD1 4.41Å; R45-L48 PolarHBondContact O-N 2.96Å; R45-L48 VanDerWaalsContact O-N 3.13Å; R45-P49 PolarHBondContact NE-O 2.76Å; R45-P49 PolarHBondContact NH2-O 2.8Å; R45-L51 VanDerWaalsContact CZ-CG 3.46Å; R45-T98 PolarHBondContact NH2-OG1 3.41Å; R45-D118 IonicContact CZ-OD1 3.2Å; R45-D118 IonicContact NH1-OD1 2.76Å; R45-D118 PolarHBondContact NH1-OD1 2.84Å; R45-D118 IonicContact NH2-OD1 2.78Å; R45-D118 PolarHBondContact NH2-OD1 2.98Å; R45-D118 VanDerWaalsContact NH2-OD1 3.15Å; R45-Y121 HydrophobicContact CG-CD1 4.25Å; R45-Y121 HydrophobicContact CG-CD2 4.05Å; R45-Y121 HydrophobicContact CG-CE1 3.86Å; R45-Y121 HydrophobicContact CG-CE2 3.62Å; R45-Y121 HydrophobicContact CG-CG 4.34Å
46	P	88.9	Confident	90.2	Very high	115 Å²	115	66 Å²	66	75%	0.747	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	127.4	178.6	-26.6	35	0	0	0	110.6	L48	P46-L48 PolarHBondContact O-N 2.78Å
47	D	89.9	Confident	92.4	Very high	170 Å²	170	66.4 Å²	66.4	91%	0.909	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	18	178.9	-50.4	-47.1	0	0	0	116	R45	R45-D47 PolarHBondContact O-N 3.17Å
48	L	93.9	Very high	94.3	Very high	96 Å²	96	63.6 Å²	63.6	50%	0.503	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	151	179.4	-66.9	175.3	0	0	0	111	R45 P46	R45-L48 HydrophobicContact CB-CB 3.7Å; R45-L48 HydrophobicContact CB-CD1 4.41Å; R45-L48 PolarHBondContact O-N 2.96Å; R45-L48 VanDerWaalsContact O-N 3.13Å; P46-L48 PolarHBondContact O-N 2.78Å
49	P	95.8	Very high	95.7	Very high	39 Å²	39	69.4 Å²	69.4	25%	0.253	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	143.6	177.9	-27.5	37.6	0	0	0	112.5	R45 T98 E104	R45-P49 PolarHBondContact NE-O 2.76Å; R45-P49 PolarHBondContact NH2-O 2.8Å; P49-T98 HydrophobicContact CB-CG2 3.85Å; P49-T98 HydrophobicContact CG-CG2 3.66Å; P49-E104 HydrophobicContact CB-CB 3.75Å
50	K	97.8	Very high	96.1	Very high	78 Å²	78	67 Å²	67	34%	0.339	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	142.6	174.7	-66.7	179.8	-167.3	145.3	0	111.9	A43 S103 E104	A43-K50 WeakPolarHBondContact O-CA 3.35Å; K50-S103 WeakPolarHBondContact O-CB 3.23Å; K50-E104 HydrophobicContact CB-CG 4.08Å; K50-E104 WeakPolarHBondContact CD-OE1 3.37Å; K50-E104 WeakPolarHBondContact CG-OE2 3.38Å; K50-E104 PolarHBondContact N-OE2 3.35Å; K50-E104 IonicContact NZ-OE1 3.44Å; K50-E104 PolarHBondContact NZ-OE1 2.97Å; K50-E104 PolarHBondContact O-N 3.36Å
51	L	98.6	Very high	96.2	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.9	172.3	-62	-178	0	0	0	111.1	Y42 A43 R45 F95 S103 D118 Y121 V122	Y42-L51 CarbonylContact C-O 3.56Å; Y42-L51 WeakPolarHBondContact CA-O 3.34Å; A43-L51 PolarHBondContact N-O 3.06Å; A43-L51 PolarHBondContact O-N 3.35Å; A43-L51 VanDerWaalsContact O-N 3.14Å; R45-L51 VanDerWaalsContact CZ-CG 3.46Å; L51-F95 HydrophobicContact CD1-CD2 4.42Å; L51-S103 WeakPolarHBondContact CA-OG 3.34Å; L51-D118 HydrophobicContact CD1-CB 3.88Å; L51-D118 HydrophobicContact CD2-CB 4.32Å; L51-Y121 HydrophobicContact CD1-CD1 4.14Å; L51-V122 HydrophobicContact CD1-CG2 4.12Å
52	A	98.6	Very high	96.2	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.8	168.9	0	0	0	0	0	110.1	V40 Q41 Y42 M73 F95 D96 A102 S103	V40-A52 HydrophobicContact CG1-CB 4.01Å; Q41-A52 CarbonylContact O-C 3.59Å; Q41-A52 WeakPolarHBondContact O-CA 3.35Å; Y42-A52 HydrophobicContact CD1-CB 4.08Å; Y42-A52 HydrophobicContact CE1-CB 3.78Å; A52-M73 HydrophobicContact CB-CE 4.05Å; A52-F95 CarbonylContact O-C 3.48Å; A52-F95 VanDerWaalsContact O-CA 3.29Å; A52-F95 WeakPolarHBondContact O-CA 3.33Å; A52-F95 WeakPolarHBondContact O-CB 3.43Å; A52-D96 HydrophobicContact CB-CB 4.48Å; A52-D96 PolarHBondContact O-N 3.2Å; A52-A102 HydrophobicContact CB-CB 3.61Å; A52-S103 PolarHBondContact N-OG 3.47Å
53	Y	98.6	Very high	96.2	Very high	22 Å²	22	56.3 Å²	56.3	9%	0.086	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163.7	178.8	71.2	-83.9	0	0	0	112.2	Q41 A43 R55 L93 R94 L126	Q41-Y53 HydrophobicContact CB-CD1 4.14Å; Q41-Y53 HydrophobicContact CB-CD2 4.24Å; Q41-Y53 HydrophobicContact CB-CE1 3.63Å; Q41-Y53 HydrophobicContact CB-CE2 3.73Å; Q41-Y53 HydrophobicContact CB-CG 4.41Å; Q41-Y53 HydrophobicContact CG-CE2 4.38Å; Q41-Y53 PolarHBondContact N-O 3.44Å; Q41-Y53 PolarHBondContact O-N 2.93Å; Q41-Y53 PolarHBondContact OE1-OH 3.26Å; A43-Y53 HydrophobicContact CB-CD1 4.15Å; A43-Y53 HydrophobicContact CB-CE1 3.83Å; Y53-R55 HydrophobicContact CD2-CB 4.21Å; Y53-R55 HydrophobicContact CE2-CB 4.18Å; Y53-L93 HydrophobicContact CD2-CD1 4.3Å; Y53-R94 CarbonylContact C-O 3.23Å; Y53-R94 WeakPolarHBondContact CA-O 3.27Å; Y53-L126 HydrophobicContact CD1-CD1 3.79Å; Y53-L126 HydrophobicContact CD2-CD1 4.3Å; Y53-L126 HydrophobicContact CE1-CD1 3.99Å; Y53-L126 HydrophobicContact CE1-CD2 4.26Å; Y53-L126 HydrophobicContact CE2-CD1 4.5Å; Y53-L126 HydrophobicContact CG-CD1 3.96Å
54	R	98.3	Very high	96.3	Very high	38 Å²	38	56 Å²	56	14%	0.143	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.3	168.7	-71.9	-179.5	-166.9	-122.9	3.8	108.8	S38 V40 M73 L93 R94	S38-R54 VanDerWaalsContact O-CD 3.3Å; S38-R54 WeakPolarHBondContact O-CD 3.3Å; S38-R54 PolarHBondContact O-NH1 2.58Å; V40-R54 HydrophobicContact CG2-CG 4.38Å; R54-M73 HydrophobicContact CB-SD 4.44Å; R54-M73 HydrophobicContact CG-CE 4.47Å; R54-M73 HydrophobicContact CG-SD 4.03Å; R54-L93 WeakPolarHBondContact O-CA 3.42Å; R54-R94 HydrophobicContact CB-CG 4.11Å; R54-R94 VanDerWaalsContact CD-CZ 3.5Å; R54-R94 PolarHBondContact N-O 2.86Å; R54-R94 PolarHBondContact O-N 2.83Å
55	R	96.9	Very high	96.4	Very high	77 Å²	77	52.5 Å²	52.5	29%	0.291	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.8	-175.4	-173.2	173.5	66.4	173.6	0.9	111.4	Y53 Y92 L93 L126	Y53-R55 HydrophobicContact CD2-CB 4.21Å; Y53-R55 HydrophobicContact CE2-CB 4.18Å; R55-Y92 CarbonylContact C-O 3.57Å; R55-Y92 WeakPolarHBondContact CA-O 3.49Å; R55-L93 HydrophobicContact CG-CD1 4.45Å; R55-L126 WeakPolarHBondContact CD-O 3.47Å; R55-L126 PolarHBondContact NH1-O 2.8Å
56	V	96.4	Very high	96.6	Very high	11 Å²	11	51.8 Å²	51.8	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.5	168.4	-174.3	0	0	0	0	107.5	E82 R86 S91 Y92	V56-E82 HydrophobicContact CG2-CG 3.68Å; V56-R86 HydrophobicContact CG1-CB 4.49Å; V56-R86 VanDerWaalsContact CG2-NH2 3.28Å; V56-S91 VanDerWaalsContact O-CA 3.31Å; V56-S91 WeakPolarHBondContact O-CA 3.29Å; V56-Y92 PolarHBondContact N-O 3Å; V56-Y92 PolarHBondContact O-N 3.37Å
57	K	96.1	Very high	97.1	Very high	178 Å²	178	46.4 Å²	46.4	77%	0.774	24%	0.236	S	C	*	.			trans	-77	144	172.4	-66.5	-173	177.1	-172.3	0	109.2
58	G	96.4	Very high	97.4	Very high	42 Å²	42	38.6 Å²	38.6	43%	0.433	20%	0.196	S	C	.	.			trans	178.3	-166.3	-179.4	0	0	0	0	0	111.1	G89	G58-G89 CarbonylContact C-O 3.57Å; G58-G89 VanDerWaalsContact CA-O 3.27Å; G58-G89 WeakPolarHBondContact CA-O 3.38Å
59	K	96.9	Very high	97.5	Very high	143 Å²	143	35.2 Å²	35.2	62%	0.622	18%	0.177	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	163.9	-179	-61.5	175.1	-173.7	172.5	0	112.5	G89 S91	K59-G89 PolarHBondContact N-O 2.87Å; K59-S91 PolarHBondContact O-N 3.15Å; K59-S91 PolarHBondContact O-OG 3.5Å
60	S	95	Very high	97.2	Very high	62 Å²	62	35.2 Å²	35.2	43%	0.434	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	150.4	167.7	177.8	0	0	0	0	110.2	P130	S60-P130 WeakPolarHBondContact OG-CD 3.36Å
61	P	97.4	Very high	97.1	Very high	10 Å²	10	34 Å²	34	7%	0.065	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-65.2	142.8	-6.5	29.6	-35.2	0	0	0	111.2	H90 P130 I132 A155 L286	P61-H90 PolarHBondContact O-ND1 2.82Å; P61-P130 VanDerWaalsContact CA-O 3.27Å; P61-P130 WeakPolarHBondContact CA-O 3.35Å; P61-P130 WeakPolarHBondContact CB-O 3.43Å; P61-I132 HydrophobicContact CB-CG1 4.23Å; P61-I132 HydrophobicContact CG-CD1 4.17Å; P61-I132 HydrophobicContact CG-CG1 4.31Å; P61-A155 HydrophobicContact CB-CB 3.93Å; P61-L286 HydrophobicContact CG-CB 4.49Å; P61-L286 HydrophobicContact CG-CD1 4.2Å
62	G	98.3	Very high	96.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	169.5	171.8	0	0	0	0	0	111.4	S91 P130 Q131 I132	G62-S91 CarbonylContact C-O 3.57Å; G62-S91 WeakPolarHBondContact CA-O 3.29Å; G62-S91 WeakPolarHBondContact CA-OG 3.49Å; G62-P130 PolarHBondContact N-O 3.05Å; G62-P130 VanDerWaalsContact N-O 3.09Å; G62-Q131 VanDerWaalsContact CA-OE1 3.31Å; G62-Q131 CarbonylContact O-C 3.55Å; G62-Q131 WeakPolarHBondContact O-CA 3.38Å; G62-I132 PolarHBondContact O-N 3.19Å
63	V	98.8	Very high	96.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.3	178.1	178.5	0	0	0	0	109.6	S91 Y92 L93 I132 V134 I279 I283	V63-S91 PolarHBondContact N-O 2.64Å; V63-Y92 HydrophobicContact CB-CD2 3.89Å; V63-Y92 HydrophobicContact CG1-CD2 3.85Å; V63-Y92 HydrophobicContact CG1-CE2 4.04Å; V63-Y92 CarbonylContact O-C 3.53Å; V63-Y92 VanDerWaalsContact O-CA 3.25Å; V63-Y92 WeakPolarHBondContact O-CA 3.34Å; V63-Y92 WeakPolarHBondContact O-CD2 3.47Å; V63-L93 PolarHBondContact O-N 3.49Å; V63-I132 WeakPolarHBondContact CA-O 3.41Å; V63-I132 HydrophobicContact CG2-CB 4.29Å; V63-I132 HydrophobicContact CG2-CD1 4.5Å; V63-V134 HydrophobicContact CG1-CG2 3.79Å; V63-I279 HydrophobicContact CG2-CG2 4.3Å; V63-I283 HydrophobicContact CG2-CD1 4.47Å
64	V	98.9	Very high	96.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.8	177.8	-177.7	0	0	0	0	109.6	L66 L93 F95 V122 L123 T127 Q131 I132 L133 V134	V64-L66 HydrophobicContact CG1-CD2 3.85Å; V64-L93 WeakPolarHBondContact CA-O 3.47Å; V64-L93 HydrophobicContact CG1-CD2 4.28Å; V64-L93 HydrophobicContact CG2-CB 4.42Å; V64-F95 HydrophobicContact CG1-CE1 4.48Å; V64-V122 HydrophobicContact CG1-CG1 4.28Å; V64-L123 HydrophobicContact CB-CD2 4.43Å; V64-L123 HydrophobicContact CG1-CD2 4.5Å; V64-L123 HydrophobicContact CG2-CD2 3.95Å; V64-T127 HydrophobicContact CG2-CG2 3.8Å; V64-Q131 HydrophobicContact CG2-CB 4.08Å; V64-Q131 HydrophobicContact CG2-CG 4.03Å; V64-I132 PolarHBondContact N-O 2.91Å; V64-L133 HydrophobicContact CB-CD2 4Å; V64-L133 HydrophobicContact CG2-CD2 4.4Å; V64-V134 PolarHBondContact O-N 2.84Å
65	F	98.9	Very high	96.5	Very high	6 Å²	6	39 Å²	39	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128	176.8	-176.6	-96.5	0	0	0	111.8	P67 K77 A78 L81 Y92 L93 R94 V134	F65-P67 HydrophobicContact CD1-CG 4.18Å; F65-P67 HydrophobicContact CE1-CB 4.27Å; F65-P67 HydrophobicContact CE1-CG 4.06Å; F65-K77 HydrophobicContact CE2-CB 3.89Å; F65-K77 HydrophobicContact CZ-CB 3.86Å; F65-A78 HydrophobicContact CD1-CB 3.49Å; F65-A78 VanDerWaalsContact CD1-CB 3.49Å; F65-A78 HydrophobicContact CE1-CB 3.67Å; F65-A78 HydrophobicContact CG-CB 4.08Å; F65-A78 HydrophobicContact CZ-CB 4.38Å; F65-L81 HydrophobicContact CD2-CD1 3.69Å; F65-L81 HydrophobicContact CE2-CD1 4.36Å; F65-Y92 HydrophobicContact CB-CE2 4.09Å; F65-Y92 WeakPolarHBondContact CB-OH 3.27Å; F65-L93 PolarHBondContact N-O 3Å; F65-R94 HydrophobicContact CB-CB 4.36Å; F65-V134 WeakPolarHBondContact CA-O 3.47Å; F65-V134 HydrophobicContact CD2-CB 4.2Å; F65-V134 HydrophobicContact CD2-CG1 4.04Å; F65-V134 HydrophobicContact CE2-CG1 4.39Å
66	L	98.9	Very high	96.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	106.7	-179.7	-53.8	-171.4	0	0	0	109.3	V64 F95 Y97 V119 V134 S136 M143	V64-L66 HydrophobicContact CG1-CD2 3.85Å; L66-F95 HydrophobicContact CD2-CE1 3.52Å; L66-F95 HydrophobicContact CD2-CZ 4.06Å; L66-Y97 WeakPolarHBondContact CA-OH 3.01Å; L66-Y97 VanDerWaalsContact CB-OH 3.31Å; L66-Y97 WeakPolarHBondContact CB-OH 3.35Å; L66-V119 HydrophobicContact CD1-CG1 4Å; L66-V119 HydrophobicContact CD1-CG2 4.22Å; L66-V119 HydrophobicContact CD2-CG1 4.09Å; L66-V119 HydrophobicContact CD2-CG2 4Å; L66-V134 PolarHBondContact N-O 2.91Å; L66-S136 PolarHBondContact O-N 3.44Å; L66-M143 HydrophobicContact CD1-CB 3.91Å
67	P	98.1	Very high	96.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.013	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-63	167.2	-178.6	-22.3	33.3	0	0	0	114.5	F65 Y97 S136 G139	F65-P67 HydrophobicContact CD1-CG 4.18Å; F65-P67 HydrophobicContact CE1-CB 4.27Å; F65-P67 HydrophobicContact CE1-CG 4.06Å; P67-Y97 HydrophobicContact CB-CE2 4.15Å; P67-Y97 HydrophobicContact CG-CE2 4.39Å; P67-Y97 WeakPolarHBondContact O-CE2 3.31Å; P67-Y97 PolarHBondContact O-OH 2.89Å; P67-S136 CarbonylContact C-O 3.53Å; P67-G139 VanDerWaalsContact O-CA 3.23Å; P67-G139 WeakPolarHBondContact O-CA 3.32Å; P67-G139 PolarHBondContact O-N 3.14Å; P67-G139 VanDerWaalsContact O-N 3.12Å
68	G	97.1	Very high	96.5	Very high	6 Å²	6	33.9 Å²	33.9	6%	0.062	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-81.3	172.9	170.5	0	0	0	0	0	113	G70 S71 S136	G68-G70 PolarHBondContact O-N 2.84Å; G68-S71 VanDerWaalsContact O-CB 3.22Å; G68-S71 WeakPolarHBondContact O-CB 3.32Å; G68-S71 PolarHBondContact O-N 2.84Å; G68-S71 VanDerWaalsContact O-N 3.07Å; G68-S136 WeakPolarHBondContact CA-O 3.41Å; G68-S136 PolarHBondContact N-O 2.96Å
69	Y	95.2	Very high	96.5	Very high	26 Å²	26	34 Å²	34	10%	0.102	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	134.8	176	178.9	-98.1	0	0	0	111	S71 L107 W115 L138 F167 Y200 F202	Y69-S71 PolarHBondContact O-N 3.02Å; Y69-L107 HydrophobicContact CE2-CD1 4.17Å; Y69-W115 AromaticContact CD2-CH2 3.76Å; Y69-W115 HydrophobicContact CD2-CH2 3.76Å; Y69-W115 HydrophobicContact CD2-CZ3 4.05Å; Y69-W115 AromaticContact CE2-CH2 3.64Å; Y69-W115 HydrophobicContact CE2-CH2 3.64Å; Y69-W115 HydrophobicContact CE2-CZ2 4.42Å; Y69-W115 HydrophobicContact CE2-CZ3 4.33Å; Y69-L138 HydrophobicContact CD2-CD2 4.14Å; Y69-F167 HydrophobicContact CD2-CZ 4.46Å; Y69-F167 HydrophobicContact CG-CZ 4.14Å; Y69-Y200 HydrophobicContact CD1-CD1 4.02Å; Y69-Y200 AromaticContact CD1-CE1 3.94Å; Y69-Y200 HydrophobicContact CD1-CE1 3.94Å; Y69-Y200 HydrophobicContact CD1-CG 4.44Å; Y69-Y200 AromaticContact CE1-CD1 3.53Å; Y69-Y200 HydrophobicContact CE1-CD1 3.53Å; Y69-Y200 AromaticContact CE1-CE1 3.85Å; Y69-Y200 HydrophobicContact CE1-CE1 3.85Å; Y69-Y200 HydrophobicContact CE1-CG 4.03Å; Y69-F202 HydrophobicContact CD1-CE1 4.29Å; Y69-F202 HydrophobicContact CD1-CZ 4.35Å; Y69-F202 HydrophobicContact CD2-CE1 4.48Å; Y69-F202 AromaticContact CE1-CE1 3.74Å; Y69-F202 HydrophobicContact CE1-CE1 3.74Å; Y69-F202 AromaticContact CE1-CZ 3.89Å; Y69-F202 HydrophobicContact CE1-CZ 3.89Å; Y69-F202 AromaticContact CE2-CE1 3.95Å; Y69-F202 HydrophobicContact CE2-CE1 3.95Å; Y69-F202 AromaticContact CZ-CE1 3.54Å
70	G	91	Very high	96.6	Very high	39 Å²	39	28.6 Å²	28.6	40%	0.402	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	5.8	-178.2	0	0	0	0	0	114.7	G68 H100	G68-G70 PolarHBondContact O-N 2.84Å; G70-H100 PolarHBondContact N-NE2 2.98Å
71	S	94.1	Very high	96.7	Very high	51 Å²	51	25.6 Å²	25.6	36%	0.357	15%	0.154	S	C	.	.			trans	-93.9	164.5	176.6	-59.1	0	0	0	0	111.6	G68 Y69 H100	G68-S71 VanDerWaalsContact O-CB 3.22Å; G68-S71 WeakPolarHBondContact O-CB 3.32Å; G68-S71 PolarHBondContact O-N 2.84Å; G68-S71 VanDerWaalsContact O-N 3.07Å; Y69-S71 PolarHBondContact O-N 3.02Å; S71-H100 PolarHBondContact O-CD2 2.89Å; S71-H100 VanDerWaalsContact O-CD2 3.24Å
72	N	95.3	Very high	96.7	Very high	65 Å²	65	25.6 Å²	25.6	35%	0.348	15%	0.154	S	C	.	.			trans	-125.3	171.5	174.1	65.5	57	0	0	0	111.1	N74 G75 D96	N72-N74 PolarHBondContact O-N 3.33Å; N72-N74 VanDerWaalsContact O-N 3.1Å; N72-N74 WeakPolarHBondContact OD1-CA 3.38Å; N72-N74 WeakPolarHBondContact OD1-CB 3.48Å; N72-N74 PolarHBondContact OD1-N 3.34Å; N72-G75 PolarHBondContact O-N 2.97Å; N72-D96 WeakPolarHBondContact CA-OD1 3.28Å; N72-D96 WeakPolarHBondContact CB-OD1 3.42Å
73	M	96.8	Very high	96.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.3	-178.3	64.3	169.1	161.4	0	0	113.2	V40 A52 R54 G75 A78 R94 D96	V40-M73 HydrophobicContact CG1-CE 3.94Å; V40-M73 HydrophobicContact CG2-CE 3.92Å; A52-M73 HydrophobicContact CB-CE 4.05Å; R54-M73 HydrophobicContact CB-SD 4.44Å; R54-M73 HydrophobicContact CG-CE 4.47Å; R54-M73 HydrophobicContact CG-SD 4.03Å; M73-G75 VanDerWaalsContact C-N 3.29Å; M73-G75 PolarHBondContact O-N 2.99Å; M73-A78 WeakPolarHBondContact O-CB 3.17Å; M73-R94 VanDerWaalsContact C-NH1 3.31Å; M73-R94 HydrophobicContact CB-CB 4.16Å; M73-R94 HydrophobicContact CB-CG 4.12Å; M73-R94 VanDerWaalsContact O-CD 3.28Å; M73-R94 WeakPolarHBondContact O-CD 3.42Å; M73-R94 PolarHBondContact O-NH1 3.21Å; M73-D96 PolarHBondContact N-OD1 3.25Å
74	N	96	Very high	96.6	Very high	68 Å²	68	32.3 Å²	32.3	36%	0.364	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	11.3	-178	-53.8	-57	0	0	0	113.6	N72 R94	N72-N74 PolarHBondContact O-N 3.33Å; N72-N74 VanDerWaalsContact O-N 3.1Å; N72-N74 WeakPolarHBondContact OD1-CA 3.38Å; N72-N74 WeakPolarHBondContact OD1-CB 3.48Å; N72-N74 PolarHBondContact OD1-N 3.34Å; N74-R94 PolarHBondContact OD1-NH1 2.89Å
75	G	93.8	Very high	96.6	Very high	31 Å²	31	32.3 Å²	32.3	32%	0.32	18%	0.184	S	C	.	.	S	Bend	trans	-61.9	150.7	174.5	0	0	0	0	0	113.1	N72 M73 K77 A78 E79	N72-G75 PolarHBondContact O-N 2.97Å; M73-G75 VanDerWaalsContact C-N 3.29Å; M73-G75 PolarHBondContact O-N 2.99Å; G75-K77 VanDerWaalsContact C-N 3.26Å; G75-K77 PolarHBondContact O-N 3.02Å; G75-A78 WeakPolarHBondContact O-CB 3.29Å; G75-A78 PolarHBondContact O-N 3.13Å; G75-E79 PolarHBondContact O-N 3.21Å
76	Q	95	Very high	96.5	Very high	130 Å²	130	36.5 Å²	36.5	61%	0.607	20%	0.2	S	C	*	.	H	α-helix	trans	-54.5	-38.8	-176.9	-68	176.6	-3.7	0	0	113.5	A80 S267	Q76-A80 VanDerWaalsContact O-CB 3.23Å; Q76-A80 WeakPolarHBondContact O-CB 3.43Å; Q76-A80 PolarHBondContact O-N 2.98Å; Q76-S267 PolarHBondContact OE1-O 2.99Å
77	K	97.3	Very high	96.4	Very high	29 Å²	29	40.6 Å²	40.6	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-47.6	175.1	-66.5	-168.4	-64.8	-94.2	0	111.9	F65 G75 A80 L81 S136 I160 R265 I272 M275	F65-K77 HydrophobicContact CE2-CB 3.89Å; F65-K77 HydrophobicContact CZ-CB 3.86Å; G75-K77 VanDerWaalsContact C-N 3.26Å; G75-K77 PolarHBondContact O-N 3.02Å; K77-A80 PolarHBondContact O-N 2.88Å; K77-L81 WeakPolarHBondContact O-CG 3.35Å; K77-L81 PolarHBondContact O-N 2.66Å; K77-S136 WeakPolarHBondContact CE-OG 3.28Å; K77-S136 PolarHBondContact NZ-OG 2.92Å; K77-S136 VanDerWaalsContact NZ-OG 3.11Å; K77-I160 HydrophobicContact CD-CD1 4.05Å; K77-I160 HydrophobicContact CD-CG2 4.38Å; K77-R265 PolarHBondContact NZ-O 2.69Å; K77-I272 HydrophobicContact CB-CD1 4.25Å; K77-I272 HydrophobicContact CG-CD1 3.49Å; K77-I272 VanDerWaalsContact CG-CD1 3.49Å; K77-M275 HydrophobicContact CB-CE 4.06Å; K77-M275 HydrophobicContact CB-SD 4.08Å; K77-M275 HydrophobicContact CD-SD 4.21Å; K77-M275 HydrophobicContact CG-CE 4.34Å; K77-M275 HydrophobicContact CG-SD 4.26Å
78	A	97.6	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-46.4	-179.5	0	0	0	0	0	111.4	F65 M73 G75 A80 L81 E82 Y92	F65-A78 HydrophobicContact CD1-CB 3.49Å; F65-A78 VanDerWaalsContact CD1-CB 3.49Å; F65-A78 HydrophobicContact CE1-CB 3.67Å; F65-A78 HydrophobicContact CG-CB 4.08Å; F65-A78 HydrophobicContact CZ-CB 4.38Å; M73-A78 WeakPolarHBondContact O-CB 3.17Å; G75-A78 WeakPolarHBondContact O-CB 3.29Å; G75-A78 PolarHBondContact O-N 3.13Å; A78-A80 PolarHBondContact O-N 3.4Å; A78-L81 PolarHBondContact O-N 2.87Å; A78-E82 PolarHBondContact O-N 3.1Å; A78-Y92 WeakPolarHBondContact CA-OH 3.35Å; A78-Y92 PolarHBondContact O-OH 3.45Å
79	E	97.1	Very high	96.3	Very high	46 Å²	46	45 Å²	45	22%	0.215	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-37	179	-61.1	-158.2	146.3	0	0	112.4	K37 G75 E82 E83 R94	K37-E79 IonicContact NZ-OE1 2.98Å; K37-E79 PolarHBondContact NZ-OE1 2.91Å; K37-E79 IonicContact NZ-OE2 3.94Å; K37-E79 PolarHBondContact NZ-OE2 3.33Å; G75-E79 PolarHBondContact O-N 3.21Å; E79-E82 PolarHBondContact O-N 3.12Å; E79-E83 PolarHBondContact O-N 3.41Å; E79-E83 VanDerWaalsContact O-N 3.12Å; E79-R94 IonicContact OE1-NH2 3.04Å
80	A	97.6	Very high	96.4	Very high	28 Å²	28	44.6 Å²	44.6	23%	0.231	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-39.5	175.9	0	0	0	0	0	112.3	Q76 K77 A78 E83 F84 I272	Q76-A80 VanDerWaalsContact O-CB 3.23Å; Q76-A80 WeakPolarHBondContact O-CB 3.43Å; Q76-A80 PolarHBondContact O-N 2.98Å; K77-A80 PolarHBondContact O-N 2.88Å; A78-A80 PolarHBondContact O-N 3.4Å; A80-E83 PolarHBondContact O-N 3.1Å; A80-F84 WeakPolarHBondContact O-CB 3.17Å; A80-F84 PolarHBondContact O-N 2.68Å; A80-I272 HydrophobicContact CB-CG2 3.45Å; A80-I272 VanDerWaalsContact CB-CG2 3.45Å
81	L	97.4	Very high	96.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.8	-36.3	175.4	-69.9	178.4	0	0	0	112.9	F65 K77 A78 E83 F84 C85 Y92 V134 M275 V276 I279	F65-L81 HydrophobicContact CD2-CD1 3.69Å; F65-L81 HydrophobicContact CE2-CD1 4.36Å; K77-L81 WeakPolarHBondContact O-CG 3.35Å; K77-L81 PolarHBondContact O-N 2.66Å; A78-L81 PolarHBondContact O-N 2.87Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 3.34Å; L81-F84 PolarHBondContact O-N 2.97Å; L81-C85 WeakPolarHBondContact O-CB 3.36Å; L81-C85 PolarHBondContact O-N 3.16Å; L81-C85 PolarHBondContact O-SG 2.96Å; L81-Y92 HydrophobicContact CB-CD2 4.32Å; L81-Y92 HydrophobicContact CB-CE2 3.53Å; L81-V134 HydrophobicContact CD1-CB 4.21Å; L81-V134 HydrophobicContact CD1-CG1 3.86Å; L81-V134 HydrophobicContact CD1-CG2 4.31Å; L81-M275 HydrophobicContact CD1-CE 4.05Å; L81-M275 HydrophobicContact CD1-SD 3.85Å; L81-M275 HydrophobicContact CD2-CE 3.75Å; L81-M275 HydrophobicContact CD2-CG 4.33Å; L81-M275 HydrophobicContact CD2-SD 4.26Å; L81-M275 HydrophobicContact CG-CE 3.61Å; L81-M275 HydrophobicContact CG-SD 4.09Å; L81-V276 HydrophobicContact CD2-CG2 4.08Å; L81-I279 HydrophobicContact CD1-CD1 4.02Å; L81-I279 HydrophobicContact CD2-CD1 3.32Å; L81-I279 HydrophobicContact CG-CD1 4.32Å
82	E	97.9	Very high	96.9	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-58.1	-47.5	172.8	-172.7	179.3	153.9	0	0	110.7	S38 V56 A78 E79 R86 Y92 R94	S38-E82 PolarHBondContact OG-OE1 3.48Å; V56-E82 HydrophobicContact CG2-CG 3.68Å; A78-E82 PolarHBondContact O-N 3.1Å; E79-E82 PolarHBondContact O-N 3.12Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.25Å; E82-R86 PolarHBondContact O-N 2.82Å; E82-R86 IonicContact OE1-NH2 2.96Å; E82-R86 PolarHBondContact OE1-NH2 2.89Å; E82-Y92 HydrophobicContact CB-CD1 3.67Å; E82-Y92 HydrophobicContact CB-CE1 3.51Å; E82-Y92 HydrophobicContact CG-CD1 3.81Å; E82-Y92 HydrophobicContact CG-CE1 4.06Å; E82-R94 IonicContact OE2-CZ 3.06Å; E82-R94 IonicContact OE2-NE 3.83Å; E82-R94 PolarHBondContact OE2-NE 3.44Å; E82-R94 IonicContact OE2-NH2 3.32Å; E82-R94 PolarHBondContact OE2-NH2 3.16Å
83	E	97.5	Very high	97.1	Very high	116 Å²	116	38.5 Å²	38.5	54%	0.542	21%	0.212	S	C	.	.	H	α-helix	trans	-64.3	-45.2	179.5	-171.9	58.6	-147.8	0	0	111.5	E79 A80 L81 R86 S87	E79-E83 PolarHBondContact O-N 3.41Å; E79-E83 VanDerWaalsContact O-N 3.12Å; A80-E83 PolarHBondContact O-N 3.1Å; L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 3.34Å; E83-R86 PolarHBondContact O-N 2.9Å; E83-S87 PolarHBondContact O-N 2.64Å
84	F	97.8	Very high	97.2	Very high	24 Å²	24	38.5 Å²	38.5	11%	0.105	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-51.6	176.9	171.7	-113.9	0	0	0	112.2	A80 L81 R86 S87 L88 V276 I279 D280 I283	A80-F84 WeakPolarHBondContact O-CB 3.17Å; A80-F84 PolarHBondContact O-N 2.68Å; L81-F84 PolarHBondContact O-N 2.97Å; F84-R86 VanDerWaalsContact C-N 3.29Å; F84-R86 PolarHBondContact O-N 2.92Å; F84-S87 WeakPolarHBondContact O-CB 3.18Å; F84-S87 PolarHBondContact O-N 2.86Å; F84-S87 PolarHBondContact O-OG 2.94Å; F84-L88 HydrophobicContact CD2-CD1 4.3Å; F84-L88 HydrophobicContact CD2-CG 4.42Å; F84-L88 HydrophobicContact CE1-CD1 3.86Å; F84-L88 HydrophobicContact CE2-CD1 3.46Å; F84-L88 VanDerWaalsContact CE2-CD1 3.46Å; F84-L88 HydrophobicContact CE2-CG 3.93Å; F84-L88 HydrophobicContact CZ-CD1 3.2Å; F84-L88 HydrophobicContact CZ-CG 4.15Å; F84-L88 PolarHBondContact O-N 3.09Å; F84-L88 VanDerWaalsContact O-N 3.1Å; F84-V276 HydrophobicContact CB-CG1 4.21Å; F84-V276 HydrophobicContact CB-CG2 4.28Å; F84-V276 HydrophobicContact CD1-CG1 4.02Å; F84-V276 HydrophobicContact CD2-CG1 3.35Å; F84-V276 HydrophobicContact CE1-CG1 4.2Å; F84-V276 HydrophobicContact CE2-CG1 3.56Å; F84-V276 HydrophobicContact CG-CG1 3.58Å; F84-V276 HydrophobicContact CG-CG2 4.36Å; F84-V276 HydrophobicContact CZ-CG1 3.98Å; F84-I279 HydrophobicContact CE1-CB 4.36Å; F84-I279 HydrophobicContact CE1-CG2 4.03Å; F84-D280 HydrophobicContact CE2-CB 4.27Å; F84-D280 HydrophobicContact CZ-CB 3.61Å; F84-D280 WeakPolarHBondContact CZ-OD1 3.38Å; F84-I283 HydrophobicContact CE1-CD1 4.37Å
85	C	97.8	Very high	97.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.1	-37.8	179.7	-64.1	0	0	0	0	111.6	L81 S87 L88 G89 H90 Y92	L81-C85 WeakPolarHBondContact O-CB 3.36Å; L81-C85 PolarHBondContact O-N 3.16Å; L81-C85 PolarHBondContact O-SG 2.96Å; C85-S87 VanDerWaalsContact C-N 3.32Å; C85-S87 PolarHBondContact O-N 2.89Å; C85-L88 PolarHBondContact O-N 2.93Å; C85-G89 PolarHBondContact O-N 2.76Å; C85-H90 HydrophobicContact CB-CB 4.4Å; C85-H90 PolarHBondContact O-N 2.7Å; C85-Y92 HydrophobicContact CB-CD2 4.31Å; C85-Y92 HydrophobicContact CB-CG 4.21Å
86	R	97.1	Very high	97.6	Very high	95 Å²	95	33.8 Å²	33.8	36%	0.358	18%	0.18	S	C	.	.	H	α-helix	trans	-60.8	-41.7	173.6	-175.3	-177.1	-58.4	-76.8	0.7	111.6	V56 E82 E83 F84 L88 G89	V56-R86 HydrophobicContact CG1-CB 4.49Å; V56-R86 VanDerWaalsContact CG2-NH2 3.28Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.25Å; E82-R86 PolarHBondContact O-N 2.82Å; E82-R86 IonicContact OE1-NH2 2.96Å; E82-R86 PolarHBondContact OE1-NH2 2.89Å; E83-R86 PolarHBondContact O-N 2.9Å; F84-R86 VanDerWaalsContact C-N 3.29Å; F84-R86 PolarHBondContact O-N 2.92Å; R86-L88 VanDerWaalsContact C-N 3.35Å; R86-G89 PolarHBondContact O-N 2.99Å
87	S	97.1	Very high	97.7	Very high	85 Å²	85	27.7 Å²	27.7	59%	0.594	15%	0.151	S	C	*	.	H	α-helix	trans	-66.2	-34.1	179	78.6	0	0	0	0	113.2	E83 F84 C85	E83-S87 PolarHBondContact O-N 2.64Å; F84-S87 WeakPolarHBondContact O-CB 3.18Å; F84-S87 PolarHBondContact O-N 2.86Å; F84-S87 PolarHBondContact O-OG 2.94Å; C85-S87 VanDerWaalsContact C-N 3.32Å; C85-S87 PolarHBondContact O-N 2.89Å
88	L	95.9	Very high	97.8	Very high	69 Å²	69	26.9 Å²	26.9	36%	0.361	15%	0.149	S	C	.	.	H	α-helix	trans	-86.7	-10.4	175.2	-64.9	-174.7	0	0	0	113.8	F84 C85 R86 H90 D280 I283	F84-L88 HydrophobicContact CD2-CD1 4.3Å; F84-L88 HydrophobicContact CD2-CG 4.42Å; F84-L88 HydrophobicContact CE1-CD1 3.86Å; F84-L88 HydrophobicContact CE2-CD1 3.46Å; F84-L88 VanDerWaalsContact CE2-CD1 3.46Å; F84-L88 HydrophobicContact CE2-CG 3.93Å; F84-L88 HydrophobicContact CZ-CD1 3.2Å; F84-L88 HydrophobicContact CZ-CG 4.15Å; F84-L88 PolarHBondContact O-N 3.09Å; F84-L88 VanDerWaalsContact O-N 3.1Å; C85-L88 PolarHBondContact O-N 2.93Å; R86-L88 VanDerWaalsContact C-N 3.35Å; L88-H90 VanDerWaalsContact C-N 3.34Å; L88-D280 WeakPolarHBondContact CD1-OD1 3.26Å; L88-I283 HydrophobicContact CD1-CD1 4.43Å
89	G	96.7	Very high	97.8	Very high	32 Å²	32	27.5 Å²	27.5	33%	0.33	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	23.6	-175.2	0	0	0	0	0	114.2	G58 K59 C85 R86	G58-G89 CarbonylContact C-O 3.57Å; G58-G89 VanDerWaalsContact CA-O 3.27Å; G58-G89 WeakPolarHBondContact CA-O 3.38Å; K59-G89 PolarHBondContact N-O 2.87Å; C85-G89 PolarHBondContact O-N 2.76Å; R86-G89 PolarHBondContact O-N 2.99Å
90	H	97.6	Very high	97.7	Very high	17 Å²	17	25.7 Å²	25.7	8%	0.079	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	148.3	172.9	-83.2	-101.1	0	0	0	111.5	P61 C85 L88	P61-H90 PolarHBondContact O-ND1 2.82Å; C85-H90 HydrophobicContact CB-CB 4.4Å; C85-H90 PolarHBondContact O-N 2.7Å; L88-H90 VanDerWaalsContact C-N 3.34Å
91	S	98.1	Very high	97.7	Very high	22 Å²	22	27 Å²	27	15%	0.154	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	143.4	174.1	57.3	0	0	0	0	110.5	V56 K59 G62 V63	V56-S91 VanDerWaalsContact O-CA 3.31Å; V56-S91 WeakPolarHBondContact O-CA 3.29Å; K59-S91 PolarHBondContact O-N 3.15Å; K59-S91 PolarHBondContact O-OG 3.5Å; G62-S91 CarbonylContact C-O 3.57Å; G62-S91 WeakPolarHBondContact CA-O 3.29Å; G62-S91 WeakPolarHBondContact CA-OG 3.49Å; V63-S91 PolarHBondContact N-O 2.64Å
92	Y	98.6	Very high	97.7	Very high	3 Å²	3	29 Å²	29	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.6	-178.7	177.4	-96.8	0	0	0	111.2	R55 V56 V63 F65 A78 L81 E82 C85 R94	R55-Y92 CarbonylContact C-O 3.57Å; R55-Y92 WeakPolarHBondContact CA-O 3.49Å; V56-Y92 PolarHBondContact N-O 3Å; V56-Y92 PolarHBondContact O-N 3.37Å; V63-Y92 HydrophobicContact CB-CD2 3.89Å; V63-Y92 HydrophobicContact CG1-CD2 3.85Å; V63-Y92 HydrophobicContact CG1-CE2 4.04Å; V63-Y92 CarbonylContact O-C 3.53Å; V63-Y92 VanDerWaalsContact O-CA 3.25Å; V63-Y92 WeakPolarHBondContact O-CA 3.34Å; V63-Y92 WeakPolarHBondContact O-CD2 3.47Å; F65-Y92 HydrophobicContact CB-CE2 4.09Å; F65-Y92 WeakPolarHBondContact CB-OH 3.27Å; A78-Y92 WeakPolarHBondContact CA-OH 3.35Å; A78-Y92 PolarHBondContact O-OH 3.45Å; L81-Y92 HydrophobicContact CB-CD2 4.32Å; L81-Y92 HydrophobicContact CB-CE2 3.53Å; E82-Y92 HydrophobicContact CB-CD1 3.67Å; E82-Y92 HydrophobicContact CB-CE1 3.51Å; E82-Y92 HydrophobicContact CG-CD1 3.81Å; E82-Y92 HydrophobicContact CG-CE1 4.06Å; C85-Y92 HydrophobicContact CB-CD2 4.31Å; C85-Y92 HydrophobicContact CB-CG 4.21Å; Y92-R94 HydrophobicContact CE1-CB 3.87Å; Y92-R94 HydrophobicContact CE1-CG 3.77Å
93	L	98.7	Very high	97.7	Very high	2 Å²	2	29 Å²	29	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	135.5	174.2	-170.6	153.8	0	0	0	111.2	Y53 R54 R55 V63 V64 F65 F95 V122 L126 T127	Y53-L93 HydrophobicContact CD2-CD1 4.3Å; R54-L93 WeakPolarHBondContact O-CA 3.42Å; R55-L93 HydrophobicContact CG-CD1 4.45Å; V63-L93 PolarHBondContact O-N 3.49Å; V64-L93 WeakPolarHBondContact CA-O 3.47Å; V64-L93 HydrophobicContact CG1-CD2 4.28Å; V64-L93 HydrophobicContact CG2-CB 4.42Å; F65-L93 PolarHBondContact N-O 3Å; L93-F95 HydrophobicContact CD2-CB 4.16Å; L93-F95 HydrophobicContact CD2-CD1 3.83Å; L93-F95 HydrophobicContact CD2-CG 4.39Å; L93-V122 HydrophobicContact CD1-CG1 4.07Å; L93-V122 HydrophobicContact CD2-CG1 3.35Å; L93-V122 HydrophobicContact CG-CG1 4.36Å; L93-L126 HydrophobicContact CD1-CB 3.59Å; L93-L126 HydrophobicContact CD1-CD1 4.44Å; L93-T127 HydrophobicContact CD1-CG2 4.03Å
94	R	98.6	Very high	97.7	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.1	166.7	58.5	-176.7	176.8	111.2	-8.6	109.5	Y53 R54 F65 M73 N74 E79 E82 Y92	Y53-R94 CarbonylContact C-O 3.23Å; Y53-R94 WeakPolarHBondContact CA-O 3.27Å; R54-R94 HydrophobicContact CB-CG 4.11Å; R54-R94 VanDerWaalsContact CD-CZ 3.5Å; R54-R94 PolarHBondContact N-O 2.86Å; R54-R94 PolarHBondContact O-N 2.83Å; F65-R94 HydrophobicContact CB-CB 4.36Å; M73-R94 VanDerWaalsContact C-NH1 3.31Å; M73-R94 HydrophobicContact CB-CB 4.16Å; M73-R94 HydrophobicContact CB-CG 4.12Å; M73-R94 VanDerWaalsContact O-CD 3.28Å; M73-R94 WeakPolarHBondContact O-CD 3.42Å; M73-R94 PolarHBondContact O-NH1 3.21Å; N74-R94 PolarHBondContact OD1-NH1 2.89Å; E79-R94 IonicContact OE1-NH2 3.04Å; E82-R94 IonicContact OE2-CZ 3.06Å; E82-R94 IonicContact OE2-NE 3.83Å; E82-R94 PolarHBondContact OE2-NE 3.44Å; E82-R94 IonicContact OE2-NH2 3.32Å; E82-R94 PolarHBondContact OE2-NH2 3.16Å; Y92-R94 HydrophobicContact CE1-CB 3.87Å; Y92-R94 HydrophobicContact CE1-CG 3.77Å
95	F	98.8	Very high	97.6	Very high	0 Å²	0	29 Å²	29	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	162.7	-176.7	74.2	-78	0	0	0	111.6	L51 A52 V64 L66 L93 Y97 D118 V119 V122	L51-F95 HydrophobicContact CD1-CD2 4.42Å; A52-F95 CarbonylContact O-C 3.48Å; A52-F95 VanDerWaalsContact O-CA 3.29Å; A52-F95 WeakPolarHBondContact O-CA 3.33Å; A52-F95 WeakPolarHBondContact O-CB 3.43Å; V64-F95 HydrophobicContact CG1-CE1 4.48Å; L66-F95 HydrophobicContact CD2-CE1 3.52Å; L66-F95 HydrophobicContact CD2-CZ 4.06Å; L93-F95 HydrophobicContact CD2-CB 4.16Å; L93-F95 HydrophobicContact CD2-CD1 3.83Å; L93-F95 HydrophobicContact CD2-CG 4.39Å; F95-Y97 HydrophobicContact CE1-CE1 4.49Å; F95-Y97 AromaticContact CE2-CD1 3.55Å; F95-Y97 HydrophobicContact CE2-CD1 3.55Å; F95-Y97 AromaticContact CE2-CE1 3.76Å; F95-Y97 HydrophobicContact CE2-CE1 3.76Å; F95-Y97 HydrophobicContact CE2-CG 4.5Å; F95-Y97 AromaticContact CZ-CD1 3.85Å; F95-Y97 HydrophobicContact CZ-CD1 3.85Å; F95-Y97 AromaticContact CZ-CE1 3.54Å; F95-Y97 HydrophobicContact CZ-CE1 3.54Å; F95-D118 HydrophobicContact CE2-CB 4.08Å; F95-V119 HydrophobicContact CZ-CB 4.49Å; F95-V119 HydrophobicContact CZ-CG2 3.9Å; F95-V122 HydrophobicContact CB-CG2 4.48Å; F95-V122 HydrophobicContact CD1-CB 4.39Å; F95-V122 HydrophobicContact CD1-CG1 3.98Å; F95-V122 HydrophobicContact CD1-CG2 3.85Å; F95-V122 HydrophobicContact CD2-CG2 3.72Å; F95-V122 HydrophobicContact CE1-CB 4.18Å; F95-V122 HydrophobicContact CE1-CG1 4.02Å; F95-V122 HydrophobicContact CE1-CG2 3.88Å; F95-V122 HydrophobicContact CE2-CG2 3.78Å; F95-V122 HydrophobicContact CG-CG2 3.75Å; F95-V122 HydrophobicContact CZ-CB 4.38Å; F95-V122 HydrophobicContact CZ-CG2 3.85Å
96	D	98.7	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-95.8	131.5	172.1	-74.1	-34.3	0	0	0	109.4	A52 N72 M73 H100 A102 S103	A52-D96 HydrophobicContact CB-CB 4.48Å; A52-D96 PolarHBondContact O-N 3.2Å; N72-D96 WeakPolarHBondContact CA-OD1 3.28Å; N72-D96 WeakPolarHBondContact CB-OD1 3.42Å; M73-D96 PolarHBondContact N-OD1 3.25Å; D96-H100 HydrophobicContact CB-CB 4.48Å; D96-H100 WeakPolarHBondContact CB-O 3.18Å; D96-A102 PolarHBondContact OD2-N 2.84Å; D96-S103 VanDerWaalsContact CB-OG 3.28Å; D96-S103 WeakPolarHBondContact CB-OG 3.39Å; D96-S103 PolarHBondContact O-OG 3.46Å
97	Y	98.6	Very high	97.3	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-62.6	162.4	171.3	-57.9	-61.2	0	0	0	111.6	L66 P67 F95 G99 H100 S103 W115 D118 V119 L142	L66-Y97 WeakPolarHBondContact CA-OH 3.01Å; L66-Y97 VanDerWaalsContact CB-OH 3.31Å; L66-Y97 WeakPolarHBondContact CB-OH 3.35Å; P67-Y97 HydrophobicContact CB-CE2 4.15Å; P67-Y97 HydrophobicContact CG-CE2 4.39Å; P67-Y97 WeakPolarHBondContact O-CE2 3.31Å; P67-Y97 PolarHBondContact O-OH 2.89Å; F95-Y97 HydrophobicContact CE1-CE1 4.49Å; F95-Y97 AromaticContact CE2-CD1 3.55Å; F95-Y97 HydrophobicContact CE2-CD1 3.55Å; F95-Y97 AromaticContact CE2-CE1 3.76Å; F95-Y97 HydrophobicContact CE2-CE1 3.76Å; F95-Y97 HydrophobicContact CE2-CG 4.5Å; F95-Y97 AromaticContact CZ-CD1 3.85Å; F95-Y97 HydrophobicContact CZ-CD1 3.85Å; F95-Y97 AromaticContact CZ-CE1 3.54Å; F95-Y97 HydrophobicContact CZ-CE1 3.54Å; Y97-G99 PolarHBondContact O-N 2.86Å; Y97-H100 WeakPolarHBondContact O-CB 3.23Å; Y97-H100 PolarHBondContact O-N 2.74Å; Y97-S103 WeakPolarHBondContact O-CB 3.41Å; Y97-W115 HydrophobicContact CD1-CB 4.07Å; Y97-W115 HydrophobicContact CD1-CG 4.48Å; Y97-W115 HydrophobicContact CG-CB 4.3Å; Y97-W115 HydrophobicContact CG-CG 4.24Å; Y97-D118 HydrophobicContact CD1-CB 4.32Å; Y97-V119 HydrophobicContact CE1-CG2 3.76Å; Y97-L142 HydrophobicContact CD1-CD1 4.44Å; Y97-L142 HydrophobicContact CE1-CD1 3.71Å; Y97-L142 HydrophobicContact CE2-CD1 4.21Å
98	T	98.4	Very high	97.1	Very high	12 Å²	12	29.8 Å²	29.8	7%	0.074	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	130	166.8	-58	0	0	0	0	109.9	R45 P49 H100 I114 W115 D118	R45-T98 PolarHBondContact NH2-OG1 3.41Å; P49-T98 HydrophobicContact CB-CG2 3.85Å; P49-T98 HydrophobicContact CG-CG2 3.66Å; T98-H100 VanDerWaalsContact C-N 3.26Å; T98-H100 PolarHBondContact O-N 3.09Å; T98-H100 PolarHBondContact O-ND1 2.94Å; T98-H100 VanDerWaalsContact O-ND1 3.13Å; T98-I114 HydrophobicContact CG2-CG2 4.15Å; T98-W115 PolarHBondContact O-NE1 2.84Å; T98-W115 VanDerWaalsContact O-NE1 3.15Å; T98-D118 WeakPolarHBondContact CB-OD2 3.41Å; T98-D118 PolarHBondContact N-OD2 3.37Å; T98-D118 PolarHBondContact OG1-OD1 2.89Å; T98-D118 PolarHBondContact OG1-OD2 2.76Å
99	G	96.9	Very high	97	Very high	14 Å²	14	32.2 Å²	32.2	14%	0.144	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	6.2	-177.3	0	0	0	0	0	115.9	Y97 E104 L107	Y97-G99 PolarHBondContact O-N 2.86Å; G99-E104 PolarHBondContact N-O 2.69Å; G99-L107 PolarHBondContact O-N 3.18Å
100	H	96.7	Very high	96.9	Very high	7 Å²	7	31 Å²	31	3%	0.032	22%	0.219	C	C	.	.	S	Bend	trans	-113.7	149.7	176.9	-65.9	67.2	0	0	0	111.5	G70 S71 D96 Y97 T98 A102 S103 L107 W115	G70-H100 PolarHBondContact N-NE2 2.98Å; S71-H100 PolarHBondContact O-CD2 2.89Å; S71-H100 VanDerWaalsContact O-CD2 3.24Å; D96-H100 HydrophobicContact CB-CB 4.48Å; D96-H100 WeakPolarHBondContact CB-O 3.18Å; Y97-H100 WeakPolarHBondContact O-CB 3.23Å; Y97-H100 PolarHBondContact O-N 2.74Å; T98-H100 VanDerWaalsContact C-N 3.26Å; T98-H100 PolarHBondContact O-N 3.09Å; T98-H100 PolarHBondContact O-ND1 2.94Å; T98-H100 VanDerWaalsContact O-ND1 3.13Å; H100-A102 PolarHBondContact O-N 2.95Å; H100-A102 VanDerWaalsContact O-N 3.16Å; H100-S103 WeakPolarHBondContact O-CB 3.14Å; H100-S103 PolarHBondContact O-N 3.44Å; H100-L107 WeakPolarHBondContact CE1-CD1 3.38Å; H100-L107 VanDerWaalsContact NE2-CD1 3.34Å; H100-L107 WeakPolarHBondContact NE2-CD1 3.47Å; H100-W115 AromaticContact CE1-CE2 3.6Å; H100-W115 AromaticContact CE1-CZ2 3.64Å; H100-W115 AromaticContact CE1-NE1 3.62Å; H100-W115 AromaticContact ND1-NE1 3.85Å
101	G	95.9	Very high	96.9	Very high	57 Å²	57	31.5 Å²	31.5	59%	0.588	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	-119.4	168.3	0	0	0	0	0	113.4
102	A	97.4	Very high	96.9	Very high	40 Å²	40	30.4 Å²	30.4	33%	0.331	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.1	-179.5	0	0	0	0	0	114	Y42 A52 D96 H100	Y42-A102 WeakPolarHBondContact CE1-O 3.41Å; A52-A102 HydrophobicContact CB-CB 3.61Å; D96-A102 PolarHBondContact OD2-N 2.84Å; H100-A102 PolarHBondContact O-N 2.95Å; H100-A102 VanDerWaalsContact O-N 3.16Å
103	S	98.4	Very high	96.9	Very high	12 Å²	12	30.6 Å²	30.6	8%	0.084	22%	0.219	C	C	.	.	S	Bend	trans	-74.6	154.4	174.7	-70.8	0	0	0	0	111.3	K50 L51 A52 D96 Y97 H100	K50-S103 WeakPolarHBondContact O-CB 3.23Å; L51-S103 WeakPolarHBondContact CA-OG 3.34Å; A52-S103 PolarHBondContact N-OG 3.47Å; D96-S103 VanDerWaalsContact CB-OG 3.28Å; D96-S103 WeakPolarHBondContact CB-OG 3.39Å; D96-S103 PolarHBondContact O-OG 3.46Å; Y97-S103 WeakPolarHBondContact O-CB 3.41Å; H100-S103 WeakPolarHBondContact O-CB 3.14Å; H100-S103 PolarHBondContact O-N 3.44Å
104	E	97.9	Very high	96.9	Very high	88 Å²	88	33.2 Å²	33.2	41%	0.411	23%	0.232	S	C	.	.	S	Bend	trans	-73.4	167.9	175.2	-68.6	173.5	176.9	0	0	111.4	P49 K50 G99	P49-E104 HydrophobicContact CB-CB 3.75Å; K50-E104 HydrophobicContact CB-CG 4.08Å; K50-E104 WeakPolarHBondContact CD-OE1 3.37Å; K50-E104 WeakPolarHBondContact CG-OE2 3.38Å; K50-E104 PolarHBondContact N-OE2 3.35Å; K50-E104 IonicContact NZ-OE1 3.44Å; K50-E104 PolarHBondContact NZ-OE1 2.97Å; K50-E104 PolarHBondContact O-N 3.36Å; G99-E104 PolarHBondContact N-O 2.69Å
105	G	96.6	Very high	96.9	Very high	52 Å²	52	33.1 Å²	33.1	54%	0.536	23%	0.232	S	C	.	.	S	Bend	trans	95.9	-177.6	-176.3	0	0	0	0	0	112.8
106	A	94.8	Very high	96.9	Very high	43 Å²	43	35.9 Å²	35.9	36%	0.355	24%	0.243	S	C	.	.			trans	-122.4	139.7	177	0	0	0	0	0	110.9	A108 D109	A106-A108 PolarHBondContact O-N 3.01Å; A106-D109 PolarHBondContact O-N 2.98Å; A106-D109 VanDerWaalsContact O-N 3.12Å
107	L	93.4	Very high	96.9	Very high	63 Å²	63	42.4 Å²	42.4	33%	0.33	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-55.8	-38.1	178.2	179.3	62.6	0	0	0	112.2	Y69 G99 H100 D109 G110 W115	Y69-L107 HydrophobicContact CE2-CD1 4.17Å; G99-L107 PolarHBondContact O-N 3.18Å; H100-L107 WeakPolarHBondContact CE1-CD1 3.38Å; H100-L107 VanDerWaalsContact NE2-CD1 3.34Å; H100-L107 WeakPolarHBondContact NE2-CD1 3.47Å; L107-D109 PolarHBondContact O-N 3.05Å; L107-G110 PolarHBondContact O-N 3.32Å; L107-G110 VanDerWaalsContact O-N 3.1Å; L107-W115 HydrophobicContact CD1-CZ2 4.22Å
108	A	92	Very high	96.9	Very high	89 Å²	89	42.5 Å²	42.5	74%	0.736	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-64.5	-24.7	-178.8	0	0	0	0	0	113.7	A106	A106-A108 PolarHBondContact O-N 3.01Å
109	D	93.3	Very high	96.9	Very high	120 Å²	120	42 Å²	42	64%	0.642	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-92.4	-3.4	178.2	-57.5	-32.5	0	0	0	112.2	A106 L107 I114	A106-D109 PolarHBondContact O-N 2.98Å; A106-D109 VanDerWaalsContact O-N 3.12Å; L107-D109 PolarHBondContact O-N 3.05Å; D109-I114 WeakPolarHBondContact O-CD1 3.33Å
110	G	95.3	Very high	97	Very high	6 Å²	6	42.3 Å²	42.3	6%	0.062	27%	0.268	C	S	.	.			trans	-76.7	141.6	-176	0	0	0	0	0	112.7	L107 F206	L107-G110 PolarHBondContact O-N 3.32Å; L107-G110 VanDerWaalsContact O-N 3.1Å; G110-F206 WeakPolarHBondContact O-CD2 3.43Å
111	T	97.7	Very high	97.1	Very high	28 Å²	28	44.7 Å²	44.7	17%	0.172	28%	0.277	C	S	.	.			trans	-129.9	164.1	174.5	76.8	0	0	0	0	110.7	G113 I114 W115 E209	T111-G113 PolarHBondContact O-N 2.91Å; T111-G113 PolarHBondContact OG1-N 2.83Å; T111-I114 HydrophobicContact CG2-CD1 4.23Å; T111-I114 PolarHBondContact O-N 2.94Å; T111-I114 VanDerWaalsContact O-N 3.15Å; T111-I114 WeakPolarHBondContact OG1-CG1 3.39Å; T111-I114 PolarHBondContact OG1-N 3.06Å; T111-I114 VanDerWaalsContact OG1-N 3.16Å; T111-W115 VanDerWaalsContact O-CD2 3.24Å; T111-W115 PolarHBondContact O-N 3.28Å; T111-E209 VanDerWaalsContact CB-CD 3.49Å; T111-E209 VanDerWaalsContact CB-OE2 3.23Å; T111-E209 WeakPolarHBondContact CB-OE2 3.49Å; T111-E209 HydrophobicContact CG2-CB 4.4Å; T111-E209 HydrophobicContact CG2-CG 4.14Å; T111-E209 VanDerWaalsContact OG1-CD 3.3Å; T111-E209 PolarHBondContact OG1-OE1 3.13Å; T111-E209 PolarHBondContact OG1-OE2 3.24Å
112	V	98.5	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.1	-40	176.8	178.1	0	0	0	0	110.1	W115 K116 W141 L142 L145 F206 E209 A210 H213	V112-W115 PolarHBondContact O-N 2.76Å; V112-K116 VanDerWaalsContact O-CB 3.28Å; V112-K116 WeakPolarHBondContact O-CB 3.39Å; V112-K116 PolarHBondContact O-N 2.92Å; V112-W141 HydrophobicContact CG1-CZ2 4.45Å; V112-W141 HydrophobicContact CG2-CE3 4.4Å; V112-W141 HydrophobicContact CG2-CH2 4.17Å; V112-W141 HydrophobicContact CG2-CZ3 3.91Å; V112-L142 HydrophobicContact CG1-CD2 4.05Å; V112-L145 HydrophobicContact CG1-CD1 3.91Å; V112-F206 HydrophobicContact CG2-CE2 4.14Å; V112-F206 HydrophobicContact CG2-CZ 4.1Å; V112-E209 PolarHBondContact N-OE2 3.37Å; V112-E209 VanDerWaalsContact N-OE2 3.11Å; V112-A210 HydrophobicContact CB-CB 4.47Å; V112-A210 HydrophobicContact CG2-CB 3.74Å; V112-H213 HydrophobicContact CB-CB 4.44Å; V112-H213 HydrophobicContact CG1-CB 3.69Å
113	G	98.4	Very high	97.3	Very high	7 Å²	7	40 Å²	40	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-37.5	176.1	0	0	0	0	0	114.4	T111 K117 E209 H213	T111-G113 PolarHBondContact O-N 2.91Å; T111-G113 PolarHBondContact OG1-N 2.83Å; G113-K117 WeakPolarHBondContact O-CG 3.29Å; G113-K117 PolarHBondContact O-N 2.74Å; G113-E209 WeakPolarHBondContact CA-OE1 3.49Å; G113-E209 PolarHBondContact N-OE1 3.27Å; G113-E209 VanDerWaalsContact N-OE1 3.09Å; G113-E209 PolarHBondContact N-OE2 2.86Å; G113-E209 VanDerWaalsContact N-OE2 3.12Å; G113-H213 VanDerWaalsContact CA-CE1 3.42Å; G113-H213 WeakPolarHBondContact CA-CE1 3.45Å; G113-H213 VanDerWaalsContact CA-NE2 3.33Å; G113-H213 WeakPolarHBondContact CA-NE2 3.33Å; G113-H213 PolarHBondContact N-NE2 3.22Å
114	I	98.3	Very high	97.3	Very high	56 Å²	56	41.9 Å²	41.9	29%	0.287	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-51.2	174.4	-70.8	170	0	0	0	109.8	T98 D109 T111 K116 K117 D118	T98-I114 HydrophobicContact CG2-CG2 4.15Å; D109-I114 WeakPolarHBondContact O-CD1 3.33Å; T111-I114 HydrophobicContact CG2-CD1 4.23Å; T111-I114 PolarHBondContact O-N 2.94Å; T111-I114 VanDerWaalsContact O-N 3.15Å; T111-I114 WeakPolarHBondContact OG1-CG1 3.39Å; T111-I114 PolarHBondContact OG1-N 3.06Å; T111-I114 VanDerWaalsContact OG1-N 3.16Å; I114-K116 VanDerWaalsContact C-N 3.3Å; I114-K116 PolarHBondContact O-N 3.25Å; I114-K117 WeakPolarHBondContact O-CA 3.22Å; I114-K117 WeakPolarHBondContact O-CB 3.44Å; I114-K117 PolarHBondContact O-N 3.12Å; I114-D118 PolarHBondContact O-N 3.15Å
115	W	98.7	Very high	97.3	Very high	1 Å²	1	43.9 Å²	43.9	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-30.7	-178.4	-55	-37.7	0	0	0	112.6	Y69 Y97 T98 H100 L107 T111 V112 D118 V119 L138 L142 F206	Y69-W115 AromaticContact CD2-CH2 3.76Å; Y69-W115 HydrophobicContact CD2-CH2 3.76Å; Y69-W115 HydrophobicContact CD2-CZ3 4.05Å; Y69-W115 AromaticContact CE2-CH2 3.64Å; Y69-W115 HydrophobicContact CE2-CH2 3.64Å; Y69-W115 HydrophobicContact CE2-CZ2 4.42Å; Y69-W115 HydrophobicContact CE2-CZ3 4.33Å; Y97-W115 HydrophobicContact CD1-CB 4.07Å; Y97-W115 HydrophobicContact CD1-CG 4.48Å; Y97-W115 HydrophobicContact CG-CB 4.3Å; Y97-W115 HydrophobicContact CG-CG 4.24Å; T98-W115 PolarHBondContact O-NE1 2.84Å; T98-W115 VanDerWaalsContact O-NE1 3.15Å; H100-W115 AromaticContact CE1-CE2 3.6Å; H100-W115 AromaticContact CE1-CZ2 3.64Å; H100-W115 AromaticContact CE1-NE1 3.62Å; H100-W115 AromaticContact ND1-NE1 3.85Å; L107-W115 HydrophobicContact CD1-CZ2 4.22Å; T111-W115 VanDerWaalsContact O-CD2 3.24Å; T111-W115 PolarHBondContact O-N 3.28Å; V112-W115 PolarHBondContact O-N 2.76Å; W115-D118 WeakPolarHBondContact O-CB 3.36Å; W115-D118 PolarHBondContact O-N 2.96Å; W115-V119 WeakPolarHBondContact O-CG2 3.35Å; W115-V119 PolarHBondContact O-N 2.81Å; W115-L138 HydrophobicContact CD2-CD2 4.31Å; W115-L138 HydrophobicContact CE3-CD1 4.24Å; W115-L138 HydrophobicContact CE3-CD2 3.5Å; W115-L138 VanDerWaalsContact CE3-CD2 3.5Å; W115-L138 HydrophobicContact CE3-CG 4.42Å; W115-L138 HydrophobicContact CH2-CD2 4.49Å; W115-L138 HydrophobicContact CZ3-CD1 4.4Å; W115-L138 HydrophobicContact CZ3-CD2 3.59Å; W115-L142 HydrophobicContact CB-CD1 3.66Å; W115-L142 HydrophobicContact CB-CD2 4.15Å; W115-F206 HydrophobicContact CH2-CD2 4.49Å; W115-F206 AromaticContact CH2-CE2 3.73Å; W115-F206 HydrophobicContact CH2-CE2 3.73Å; W115-F206 HydrophobicContact CH2-CZ 4.49Å; W115-F206 AromaticContact CZ3-CE2 3.61Å; W115-F206 HydrophobicContact CZ3-CE2 3.61Å; W115-F206 HydrophobicContact CZ3-CZ 4.18Å
116	K	98.8	Very high	97.4	Very high	57 Å²	57	42.2 Å²	42.2	25%	0.248	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-48.9	167.6	175.9	-171.2	174.8	179.9	0	110.6	V112 I114 D118 V119 L120 L142 L145	V112-K116 VanDerWaalsContact O-CB 3.28Å; V112-K116 WeakPolarHBondContact O-CB 3.39Å; V112-K116 PolarHBondContact O-N 2.92Å; I114-K116 VanDerWaalsContact C-N 3.3Å; I114-K116 PolarHBondContact O-N 3.25Å; K116-D118 VanDerWaalsContact C-N 3.26Å; K116-D118 PolarHBondContact O-N 3.47Å; K116-V119 PolarHBondContact O-N 2.98Å; K116-L120 HydrophobicContact CG-CD1 4.29Å; K116-L120 WeakPolarHBondContact O-CG 3.42Å; K116-L120 PolarHBondContact O-N 2.96Å; K116-L142 HydrophobicContact CB-CD2 4.18Å; K116-L145 HydrophobicContact CD-CB 4.18Å; K116-L145 HydrophobicContact CD-CD1 4.4Å; K116-L145 HydrophobicContact CG-CB 4.21Å
117	K	98.6	Very high	97.5	Very high	137 Å²	137	40.8 Å²	40.8	60%	0.596	22%	0.217	S	C	*	.	H	α-helix	trans	-60.6	-36.1	177	-71.8	172	-177.9	177.5	0	111.9	G113 I114 L120 Y121	G113-K117 WeakPolarHBondContact O-CG 3.29Å; G113-K117 PolarHBondContact O-N 2.74Å; I114-K117 WeakPolarHBondContact O-CA 3.22Å; I114-K117 WeakPolarHBondContact O-CB 3.44Å; I114-K117 PolarHBondContact O-N 3.12Å; K117-L120 PolarHBondContact O-N 2.68Å; K117-Y121 WeakPolarHBondContact O-CB 3.38Å; K117-Y121 PolarHBondContact O-N 3.44Å
118	D	98.8	Very high	97.7	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-47.2	174	-60.9	-20	0	0	0	111.8	R45 L51 F95 Y97 T98 I114 W115 K116 L120 Y121 V122	R45-D118 IonicContact CZ-OD1 3.2Å; R45-D118 IonicContact NH1-OD1 2.76Å; R45-D118 PolarHBondContact NH1-OD1 2.84Å; R45-D118 IonicContact NH2-OD1 2.78Å; R45-D118 PolarHBondContact NH2-OD1 2.98Å; R45-D118 VanDerWaalsContact NH2-OD1 3.15Å; L51-D118 HydrophobicContact CD1-CB 3.88Å; L51-D118 HydrophobicContact CD2-CB 4.32Å; F95-D118 HydrophobicContact CE2-CB 4.08Å; Y97-D118 HydrophobicContact CD1-CB 4.32Å; T98-D118 WeakPolarHBondContact CB-OD2 3.41Å; T98-D118 PolarHBondContact N-OD2 3.37Å; T98-D118 PolarHBondContact OG1-OD1 2.89Å; T98-D118 PolarHBondContact OG1-OD2 2.76Å; I114-D118 PolarHBondContact O-N 3.15Å; W115-D118 WeakPolarHBondContact O-CB 3.36Å; W115-D118 PolarHBondContact O-N 2.96Å; K116-D118 VanDerWaalsContact C-N 3.26Å; K116-D118 PolarHBondContact O-N 3.47Å; D118-L120 PolarHBondContact O-N 3.37Å; D118-Y121 PolarHBondContact O-N 3.32Å; D118-V122 VanDerWaalsContact O-CG2 3.29Å; D118-V122 WeakPolarHBondContact O-CG2 3.43Å; D118-V122 PolarHBondContact O-N 3.48Å
119	V	98.9	Very high	97.9	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-60.2	-46.8	176.8	177.9	0	0	0	0	110.9	L66 F95 Y97 W115 K116 Y121 V122 L123 L142 A146	L66-V119 HydrophobicContact CD1-CG1 4Å; L66-V119 HydrophobicContact CD1-CG2 4.22Å; L66-V119 HydrophobicContact CD2-CG1 4.09Å; L66-V119 HydrophobicContact CD2-CG2 4Å; F95-V119 HydrophobicContact CZ-CB 4.49Å; F95-V119 HydrophobicContact CZ-CG2 3.9Å; Y97-V119 HydrophobicContact CE1-CG2 3.76Å; W115-V119 WeakPolarHBondContact O-CG2 3.35Å; W115-V119 PolarHBondContact O-N 2.81Å; K116-V119 PolarHBondContact O-N 2.98Å; V119-Y121 PolarHBondContact O-N 3.19Å; V119-V122 WeakPolarHBondContact O-CB 3.4Å; V119-V122 PolarHBondContact O-N 3.19Å; V119-L123 HydrophobicContact CG1-CD1 4.15Å; V119-L123 HydrophobicContact CG1-CG 4.41Å; V119-L123 WeakPolarHBondContact O-CG 3.48Å; V119-L123 PolarHBondContact O-N 3.36Å; V119-L142 HydrophobicContact CG2-CB 4.1Å; V119-L142 HydrophobicContact CG2-CD1 4.34Å; V119-A146 HydrophobicContact CG1-CB 3.55Å
120	L	98.8	Very high	98.1	Very high	22 Å²	22	39.8 Å²	39.8	12%	0.115	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-44.9	179.5	-64.7	-179.4	0	0	0	111.6	K116 K117 D118 V122 L123 D124 A146 A149 R150	K116-L120 HydrophobicContact CG-CD1 4.29Å; K116-L120 WeakPolarHBondContact O-CG 3.42Å; K116-L120 PolarHBondContact O-N 2.96Å; K117-L120 PolarHBondContact O-N 2.68Å; D118-L120 PolarHBondContact O-N 3.37Å; L120-V122 VanDerWaalsContact C-N 3.3Å; L120-V122 PolarHBondContact O-N 3Å; L120-L123 PolarHBondContact O-N 3.26Å; L120-D124 WeakPolarHBondContact O-CB 3.35Å; L120-D124 PolarHBondContact O-N 3.44Å; L120-A146 HydrophobicContact CD2-CB 4.25Å; L120-A149 HydrophobicContact CD1-CB 4.28Å; L120-A149 HydrophobicContact CD2-CB 3.8Å; L120-R150 HydrophobicContact CD2-CG 3.86Å
121	Y	98.7	Very high	98.3	Very high	56 Å²	56	39.7 Å²	39.7	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-43.5	175.3	177.7	-87	0	0	0	111.8	A43 S44 R45 L51 K117 D118 V119 L123 D124 E125 L126	A43-Y121 HydrophobicContact CB-CE1 3.68Å; S44-Y121 PolarHBondContact O-OH 2.96Å; R45-Y121 HydrophobicContact CG-CD1 4.25Å; R45-Y121 HydrophobicContact CG-CD2 4.05Å; R45-Y121 HydrophobicContact CG-CE1 3.86Å; R45-Y121 HydrophobicContact CG-CE2 3.62Å; R45-Y121 HydrophobicContact CG-CG 4.34Å; L51-Y121 HydrophobicContact CD1-CD1 4.14Å; K117-Y121 WeakPolarHBondContact O-CB 3.38Å; K117-Y121 PolarHBondContact O-N 3.44Å; D118-Y121 PolarHBondContact O-N 3.32Å; V119-Y121 PolarHBondContact O-N 3.19Å; Y121-L123 PolarHBondContact O-N 2.96Å; Y121-D124 PolarHBondContact O-N 3.37Å; Y121-E125 HydrophobicContact CD2-CG 3.86Å; Y121-E125 HydrophobicContact CE1-CB 4.2Å; Y121-E125 HydrophobicContact CE2-CB 4.15Å; Y121-E125 HydrophobicContact CE2-CG 3.6Å; Y121-E125 HydrophobicContact CG-CG 4.42Å; Y121-E125 WeakPolarHBondContact O-CB 3.49Å; Y121-E125 PolarHBondContact O-N 3.04Å; Y121-L126 HydrophobicContact CE1-CD1 4.37Å; Y121-L126 HydrophobicContact CE1-CD2 4.42Å; Y121-L126 HydrophobicContact CE1-CG 4.29Å
122	V	98.6	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-61.2	-45.1	177.3	166.3	0	0	0	0	111.5	L51 V64 L93 F95 D118 V119 L120 L126 T127	L51-V122 HydrophobicContact CD1-CG2 4.12Å; V64-V122 HydrophobicContact CG1-CG1 4.28Å; L93-V122 HydrophobicContact CD1-CG1 4.07Å; L93-V122 HydrophobicContact CD2-CG1 3.35Å; L93-V122 HydrophobicContact CG-CG1 4.36Å; F95-V122 HydrophobicContact CB-CG2 4.48Å; F95-V122 HydrophobicContact CD1-CB 4.39Å; F95-V122 HydrophobicContact CD1-CG1 3.98Å; F95-V122 HydrophobicContact CD1-CG2 3.85Å; F95-V122 HydrophobicContact CD2-CG2 3.72Å; F95-V122 HydrophobicContact CE1-CB 4.18Å; F95-V122 HydrophobicContact CE1-CG1 4.02Å; F95-V122 HydrophobicContact CE1-CG2 3.88Å; F95-V122 HydrophobicContact CE2-CG2 3.78Å; F95-V122 HydrophobicContact CG-CG2 3.75Å; F95-V122 HydrophobicContact CZ-CB 4.38Å; F95-V122 HydrophobicContact CZ-CG2 3.85Å; D118-V122 VanDerWaalsContact O-CG2 3.29Å; D118-V122 WeakPolarHBondContact O-CG2 3.43Å; D118-V122 PolarHBondContact O-N 3.48Å; V119-V122 WeakPolarHBondContact O-CB 3.4Å; V119-V122 PolarHBondContact O-N 3.19Å; L120-V122 VanDerWaalsContact C-N 3.3Å; L120-V122 PolarHBondContact O-N 3Å; V122-L126 HydrophobicContact CB-CD1 4.45Å; V122-L126 HydrophobicContact CG2-CD1 4Å; V122-L126 WeakPolarHBondContact O-CA 3.41Å; V122-L126 WeakPolarHBondContact O-CB 3.34Å; V122-L126 PolarHBondContact O-N 3.26Å; V122-T127 PolarHBondContact O-N 3.04Å
123	L	98.7	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-67.4	-38.5	179.2	-64	177.6	0	0	0	112.6	V64 V119 L120 Y121 T127 Q131 L133 A146 K153	V64-L123 HydrophobicContact CB-CD2 4.43Å; V64-L123 HydrophobicContact CG1-CD2 4.5Å; V64-L123 HydrophobicContact CG2-CD2 3.95Å; V119-L123 HydrophobicContact CG1-CD1 4.15Å; V119-L123 HydrophobicContact CG1-CG 4.41Å; V119-L123 WeakPolarHBondContact O-CG 3.48Å; V119-L123 PolarHBondContact O-N 3.36Å; L120-L123 PolarHBondContact O-N 3.26Å; Y121-L123 PolarHBondContact O-N 2.96Å; L123-T127 WeakPolarHBondContact CA-OG1 3.32Å; L123-T127 PolarHBondContact O-OG1 3.26Å; L123-Q131 HydrophobicContact CD2-CB 4.34Å; L123-Q131 HydrophobicContact CD2-CG 4.03Å; L123-L133 HydrophobicContact CD1-CD1 4.25Å; L123-L133 HydrophobicContact CD1-CD2 4.18Å; L123-L133 HydrophobicContact CD2-CD2 3.53Å; L123-L133 HydrophobicContact CG-CD2 4.47Å; L123-A146 HydrophobicContact CD1-CB 3.95Å; L123-K153 PolarHBondContact O-NZ 3Å
124	D	98.3	Very high	98.4	Very high	50 Å²	50	38 Å²	38	27%	0.267	19%	0.192	S	C	.	.	I	π-helix	trans	-74.9	-47.3	-176.3	-67.5	-17.6	0	0	0	111.1	L120 Y121 R150	L120-D124 WeakPolarHBondContact O-CB 3.35Å; L120-D124 PolarHBondContact O-N 3.44Å; Y121-D124 PolarHBondContact O-N 3.37Å; D124-R150 WeakPolarHBondContact OD1-CD 3.37Å; D124-R150 IonicContact OD1-CZ 3.87Å; D124-R150 IonicContact OD1-NE 2.88Å; D124-R150 PolarHBondContact OD1-NE 3.47Å; D124-R150 IonicContact OD1-NH2 2.73Å; D124-R150 IonicContact OD2-CZ 2.62Å; D124-R150 IonicContact OD2-NE 2.93Å; D124-R150 PolarHBondContact OD2-NE 2.76Å; D124-R150 VanDerWaalsContact OD2-NE 3.09Å; D124-R150 IonicContact OD2-NH2 3.16Å; D124-R150 PolarHBondContact OD2-NH2 2.77Å
125	E	98.1	Very high	98.4	Very high	131 Å²	131	35.3 Å²	35.3	61%	0.612	18%	0.178	S	C	*	.	I	π-helix	trans	-103.8	-26.2	-167.1	-59.2	-60.9	134.8	0	0	114.3	Y121	Y121-E125 HydrophobicContact CD2-CG 3.86Å; Y121-E125 HydrophobicContact CE1-CB 4.2Å; Y121-E125 HydrophobicContact CE2-CB 4.15Å; Y121-E125 HydrophobicContact CE2-CG 3.6Å; Y121-E125 HydrophobicContact CG-CG 4.42Å; Y121-E125 WeakPolarHBondContact O-CB 3.49Å; Y121-E125 PolarHBondContact O-N 3.04Å
126	L	98	Very high	98.4	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.084	18%	0.18	C	C	.	.	I	π-helix	trans	-108.9	-9.4	-171.2	-51.2	-177.2	0	0	0	113.9	A43 Y53 R55 L93 Y121 V122	A43-L126 HydrophobicContact CB-CD1 4.09Å; A43-L126 HydrophobicContact CB-CD2 4.09Å; Y53-L126 HydrophobicContact CD1-CD1 3.79Å; Y53-L126 HydrophobicContact CD2-CD1 4.3Å; Y53-L126 HydrophobicContact CE1-CD1 3.99Å; Y53-L126 HydrophobicContact CE1-CD2 4.26Å; Y53-L126 HydrophobicContact CE2-CD1 4.5Å; Y53-L126 HydrophobicContact CG-CD1 3.96Å; R55-L126 WeakPolarHBondContact CD-O 3.47Å; R55-L126 PolarHBondContact NH1-O 2.8Å; L93-L126 HydrophobicContact CD1-CB 3.59Å; L93-L126 HydrophobicContact CD1-CD1 4.44Å; Y121-L126 HydrophobicContact CE1-CD1 4.37Å; Y121-L126 HydrophobicContact CE1-CD2 4.42Å; Y121-L126 HydrophobicContact CE1-CG 4.29Å; V122-L126 HydrophobicContact CB-CD1 4.45Å; V122-L126 HydrophobicContact CG2-CD1 4Å; V122-L126 WeakPolarHBondContact O-CA 3.41Å; V122-L126 WeakPolarHBondContact O-CB 3.34Å; V122-L126 PolarHBondContact O-N 3.26Å
127	T	98.3	Very high	98.3	Very high	13 Å²	13	33.4 Å²	33.4	8%	0.08	17%	0.172	C	C	.	.			trans	-122.9	151.2	-179.9	76	0	0	0	0	113.1	V64 L93 V122 L123 Q131 K153	V64-T127 HydrophobicContact CG2-CG2 3.8Å; L93-T127 HydrophobicContact CD1-CG2 4.03Å; V122-T127 PolarHBondContact O-N 3.04Å; L123-T127 WeakPolarHBondContact CA-OG1 3.32Å; L123-T127 PolarHBondContact O-OG1 3.26Å; T127-Q131 HydrophobicContact CG2-CG 4.35Å; T127-K153 PolarHBondContact O-NZ 2.82Å
128	E	96.6	Very high	98.3	Very high	162 Å²	162	26.9 Å²	26.9	76%	0.757	14%	0.144	S	C	*	.			trans	-120.3	136.5	178.5	-68.3	173.5	-156.4	0	0	109.6	Q131	E128-Q131 PolarHBondContact O-NE2 3.36Å
129	G	96.7	Very high	98.3	Very high	38 Å²	38	26.7 Å²	26.7	39%	0.392	14%	0.143	S	C	.	.	S	Bend	trans	69.5	-171.6	-178.2	0	0	0	0	0	114.2	Q131	G129-Q131 PolarHBondContact O-NE2 3.15Å
130	P	97.4	Very high	98.3	Very high	51 Å²	51	26.7 Å²	26.7	33%	0.331	14%	0.143	S	C	.	.			trans	-74	143.2	-179.4	33	-38.2	0	0	0	112.1	S60 P61 G62 K153 A155	S60-P130 WeakPolarHBondContact OG-CD 3.36Å; P61-P130 VanDerWaalsContact CA-O 3.27Å; P61-P130 WeakPolarHBondContact CA-O 3.35Å; P61-P130 WeakPolarHBondContact CB-O 3.43Å; G62-P130 PolarHBondContact N-O 3.05Å; G62-P130 VanDerWaalsContact N-O 3.09Å; P130-K153 CarbonylContact C-O 3.56Å; P130-K153 WeakPolarHBondContact CA-O 3.33Å; P130-A155 HydrophobicContact CB-CB 4.02Å
131	Q	98.8	Very high	98.3	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.019	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	140.1	-174.2	-51.8	-56.5	-61	0	0	111.6	G62 V64 L123 T127 E128 G129 L133 K153 T154 A155	G62-Q131 VanDerWaalsContact CA-OE1 3.31Å; G62-Q131 CarbonylContact O-C 3.55Å; G62-Q131 WeakPolarHBondContact O-CA 3.38Å; V64-Q131 HydrophobicContact CG2-CB 4.08Å; V64-Q131 HydrophobicContact CG2-CG 4.03Å; L123-Q131 HydrophobicContact CD2-CB 4.34Å; L123-Q131 HydrophobicContact CD2-CG 4.03Å; T127-Q131 HydrophobicContact CG2-CG 4.35Å; E128-Q131 PolarHBondContact O-NE2 3.36Å; G129-Q131 PolarHBondContact O-NE2 3.15Å; Q131-L133 HydrophobicContact CB-CD2 3.94Å; Q131-K153 PolarHBondContact N-O 3.25Å; Q131-T154 CarbonylContact O-C 3.52Å; Q131-A155 PolarHBondContact O-N 2.98Å
132	I	98.9	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	117.1	159.9	-56.1	176.5	0	0	0	107.3	P61 G62 V63 V64 V134 A155 A156 V158 L282 I283 L286	P61-I132 HydrophobicContact CB-CG1 4.23Å; P61-I132 HydrophobicContact CG-CD1 4.17Å; P61-I132 HydrophobicContact CG-CG1 4.31Å; G62-I132 PolarHBondContact O-N 3.19Å; V63-I132 WeakPolarHBondContact CA-O 3.41Å; V63-I132 HydrophobicContact CG2-CB 4.29Å; V63-I132 HydrophobicContact CG2-CD1 4.5Å; V64-I132 PolarHBondContact N-O 2.91Å; I132-V134 HydrophobicContact CG2-CG2 4.3Å; I132-A155 HydrophobicContact CG1-CB 4.27Å; I132-A156 WeakPolarHBondContact CA-O 3.37Å; I132-A156 HydrophobicContact CG1-CB 4.35Å; I132-A156 HydrophobicContact CG2-CB 4.4Å; I132-V158 HydrophobicContact CG2-CG2 4.19Å; I132-L282 HydrophobicContact CD1-CB 4.48Å; I132-I283 HydrophobicContact CD1-CD1 4.5Å; I132-I283 HydrophobicContact CD1-CG1 3.59Å; I132-L286 HydrophobicContact CD1-CD1 3.95Å; I132-L286 HydrophobicContact CG1-CD1 4.01Å
133	L	98.9	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.5	177.4	-52.2	-175.5	0	0	0	109.3	V64 L123 Q131 M143 A146 T154 A156 L157 V158	V64-L133 HydrophobicContact CB-CD2 4Å; V64-L133 HydrophobicContact CG2-CD2 4.4Å; L123-L133 HydrophobicContact CD1-CD1 4.25Å; L123-L133 HydrophobicContact CD1-CD2 4.18Å; L123-L133 HydrophobicContact CD2-CD2 3.53Å; L123-L133 HydrophobicContact CG-CD2 4.47Å; Q131-L133 HydrophobicContact CB-CD2 3.94Å; L133-M143 HydrophobicContact CB-CG 3.71Å; L133-M143 HydrophobicContact CB-SD 4.35Å; L133-M143 HydrophobicContact CD1-CG 4.29Å; L133-M143 VanDerWaalsContact O-SD 3.33Å; L133-A146 HydrophobicContact CD1-CB 4.06Å; L133-T154 HydrophobicContact CD1-CG2 4.12Å; L133-T154 HydrophobicContact CG-CG2 4.24Å; L133-A156 PolarHBondContact N-O 3.41Å; L133-L157 HydrophobicContact CB-CD2 3.83Å; L133-L157 HydrophobicContact CD1-CD2 4.01Å; L133-L157 HydrophobicContact CG-CD2 4.1Å; L133-V158 PolarHBondContact O-N 3.1Å
134	V	98.9	Very high	98.4	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	101.8	179.1	-173.1	0	0	0	0	108.9	V63 V64 F65 L66 L81 I132 V158 I160 I279	V63-V134 HydrophobicContact CG1-CG2 3.79Å; V64-V134 PolarHBondContact O-N 2.84Å; F65-V134 WeakPolarHBondContact CA-O 3.47Å; F65-V134 HydrophobicContact CD2-CB 4.2Å; F65-V134 HydrophobicContact CD2-CG1 4.04Å; F65-V134 HydrophobicContact CE2-CG1 4.39Å; L66-V134 PolarHBondContact N-O 2.91Å; L81-V134 HydrophobicContact CD1-CB 4.21Å; L81-V134 HydrophobicContact CD1-CG1 3.86Å; L81-V134 HydrophobicContact CD1-CG2 4.31Å; I132-V134 HydrophobicContact CG2-CG2 4.3Å; V134-V158 CarbonylContact C-O 3.54Å; V134-V158 VanDerWaalsContact CA-O 3.31Å; V134-V158 WeakPolarHBondContact CA-O 3.28Å; V134-V158 HydrophobicContact CG1-CB 4.24Å; V134-V158 HydrophobicContact CG1-CG1 4.37Å; V134-V158 HydrophobicContact CG2-CB 4.22Å; V134-I160 HydrophobicContact CG1-CD1 3.95Å; V134-I279 HydrophobicContact CG1-CD1 4.22Å; V134-I279 HydrophobicContact CG2-CD1 3.68Å; V134-I279 HydrophobicContact CG2-CG1 4.21Å
135	G	98.8	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.2	-173.6	0	0	0	0	0	114	G139 V158 G159 I160	G135-G139 VanDerWaalsContact CA-C 3.44Å; G135-G139 WeakPolarHBondContact CA-O 3.39Å; G135-V158 PolarHBondContact N-O 2.85Å; G135-G159 CarbonylContact O-C 3.54Å; G135-G159 WeakPolarHBondContact O-CA 3.22Å; G135-I160 PolarHBondContact O-N 2.85Å
136	S	98.7	Very high	98.4	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.042	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.1	177	-172.1	0	0	0	0	111.8	L66 P67 G68 K77 L138 G139 I160	L66-S136 PolarHBondContact O-N 3.44Å; P67-S136 CarbonylContact C-O 3.53Å; G68-S136 WeakPolarHBondContact CA-O 3.41Å; G68-S136 PolarHBondContact N-O 2.96Å; K77-S136 WeakPolarHBondContact CE-OG 3.28Å; K77-S136 PolarHBondContact NZ-OG 2.92Å; K77-S136 VanDerWaalsContact NZ-OG 3.11Å; S136-L138 PolarHBondContact O-N 2.86Å; S136-G139 WeakPolarHBondContact O-CA 3.29Å; S136-G139 PolarHBondContact O-N 3.07Å; S136-I160 CarbonylContact C-O 3.57Å; S136-I160 VanDerWaalsContact CA-O 3.29Å; S136-I160 WeakPolarHBondContact CA-O 3.11Å
137	S	97.7	Very high	98.5	Very high	11 Å²	11	14.2 Å²	14.2	8%	0.077	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-119.3	179	-173.6	0	0	0	0	111.6	G139 G140 W141 I160 A161 A163 H264	S137-G139 PolarHBondContact O-N 3.49Å; S137-G140 WeakPolarHBondContact O-CA 3.34Å; S137-G140 PolarHBondContact O-N 3.33Å; S137-W141 PolarHBondContact O-N 3.08Å; S137-I160 PolarHBondContact N-O 2.86Å; S137-A161 VanDerWaalsContact CA-O 3.25Å; S137-A161 WeakPolarHBondContact CA-O 3.41Å; S137-A163 VanDerWaalsContact C-CB 3.5Å; S137-A163 PolarHBondContact O-N 3.49Å; S137-H264 WeakPolarHBondContact CB-NE2 3.37Å; S137-H264 PolarHBondContact OG-CE1 3.36Å; S137-H264 PolarHBondContact OG-NE2 2.97Å; S137-H264 VanDerWaalsContact OG-NE2 3.1Å
138	L	98.4	Very high	98.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-49.1	-41.4	170.1	170.8	65.7	0	0	0	112.5	Y69 W115 S136 G140 W141 L142 F167	Y69-L138 HydrophobicContact CD2-CD2 4.14Å; W115-L138 HydrophobicContact CD2-CD2 4.31Å; W115-L138 HydrophobicContact CE3-CD1 4.24Å; W115-L138 HydrophobicContact CE3-CD2 3.5Å; W115-L138 VanDerWaalsContact CE3-CD2 3.5Å; W115-L138 HydrophobicContact CE3-CG 4.42Å; W115-L138 HydrophobicContact CH2-CD2 4.49Å; W115-L138 HydrophobicContact CZ3-CD1 4.4Å; W115-L138 HydrophobicContact CZ3-CD2 3.59Å; S136-L138 PolarHBondContact O-N 2.86Å; L138-G140 PolarHBondContact O-N 3.49Å; L138-W141 HydrophobicContact CD1-CE3 4.37Å; L138-W141 WeakPolarHBondContact O-CA 3.2Å; L138-W141 WeakPolarHBondContact O-CB 3.39Å; L138-W141 PolarHBondContact O-N 2.86Å; L138-L142 HydrophobicContact CD1-CD1 4.33Å; L138-L142 HydrophobicContact CD1-CG 4.14Å; L138-L142 HydrophobicContact CD2-CD1 4.41Å; L138-L142 HydrophobicContact CG-CD1 4Å; L138-L142 HydrophobicContact CG-CG 4.24Å; L138-L142 PolarHBondContact O-N 2.98Å; L138-F167 HydrophobicContact CB-CE2 4.49Å; L138-F167 HydrophobicContact CD1-CE2 4.16Å
139	G	98.8	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-27.6	177	0	0	0	0	0	112.8	P67 G135 S136 S137 M143	P67-G139 VanDerWaalsContact O-CA 3.23Å; P67-G139 WeakPolarHBondContact O-CA 3.32Å; P67-G139 PolarHBondContact O-N 3.14Å; P67-G139 VanDerWaalsContact O-N 3.12Å; G135-G139 VanDerWaalsContact CA-C 3.44Å; G135-G139 WeakPolarHBondContact CA-O 3.39Å; S136-G139 WeakPolarHBondContact O-CA 3.29Å; S136-G139 PolarHBondContact O-N 3.07Å; S137-G139 PolarHBondContact O-N 3.49Å; G139-M143 WeakPolarHBondContact O-CB 3.47Å; G139-M143 PolarHBondContact O-N 2.94Å
140	G	98.8	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-70.8	-31.5	172.2	0	0	0	0	0	113.2	S137 L138 L144	S137-G140 WeakPolarHBondContact O-CA 3.34Å; S137-G140 PolarHBondContact O-N 3.33Å; L138-G140 PolarHBondContact O-N 3.49Å; G140-L144 WeakPolarHBondContact O-CG 3.19Å; G140-L144 PolarHBondContact O-N 3.25Å
141	W	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-72.3	-47.6	171.3	-172.3	6.5	0	0	0	110.8	V112 S137 L138 M143 L144 L145 D165 F167 V168 A210 H213	V112-W141 HydrophobicContact CG1-CZ2 4.45Å; V112-W141 HydrophobicContact CG2-CE3 4.4Å; V112-W141 HydrophobicContact CG2-CH2 4.17Å; V112-W141 HydrophobicContact CG2-CZ3 3.91Å; S137-W141 PolarHBondContact O-N 3.08Å; L138-W141 HydrophobicContact CD1-CE3 4.37Å; L138-W141 WeakPolarHBondContact O-CA 3.2Å; L138-W141 WeakPolarHBondContact O-CB 3.39Å; L138-W141 PolarHBondContact O-N 2.86Å; W141-M143 VanDerWaalsContact C-N 3.25Å; W141-M143 PolarHBondContact O-N 3.11Å; W141-L144 WeakPolarHBondContact O-CB 3.23Å; W141-L144 PolarHBondContact O-N 3.24Å; W141-L144 VanDerWaalsContact O-N 3.09Å; W141-L145 PolarHBondContact O-N 3.38Å; W141-L145 VanDerWaalsContact O-N 3.12Å; W141-D165 PolarHBondContact NE1-OD1 3.45Å; W141-F167 HydrophobicContact CE3-CD2 4.44Å; W141-F167 HydrophobicContact CZ3-CD2 4.05Å; W141-V168 HydrophobicContact CH2-CG2 4.28Å; W141-A210 HydrophobicContact CH2-CB 4.05Å; W141-H213 HydrophobicContact CZ2-CB 4.07Å; W141-H213 WeakPolarHBondContact CZ2-O 3.29Å; W141-H213 PolarHBondContact NE1-O 3.07Å
142	L	98.9	Very high	98.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.8	-34	177.5	-62.7	176.3	0	0	0	112.4	Y97 V112 W115 K116 V119 L138 L145 A146	Y97-L142 HydrophobicContact CD1-CD1 4.44Å; Y97-L142 HydrophobicContact CE1-CD1 3.71Å; Y97-L142 HydrophobicContact CE2-CD1 4.21Å; V112-L142 HydrophobicContact CG1-CD2 4.05Å; W115-L142 HydrophobicContact CB-CD1 3.66Å; W115-L142 HydrophobicContact CB-CD2 4.15Å; K116-L142 HydrophobicContact CB-CD2 4.18Å; V119-L142 HydrophobicContact CG2-CB 4.1Å; V119-L142 HydrophobicContact CG2-CD1 4.34Å; L138-L142 HydrophobicContact CD1-CD1 4.33Å; L138-L142 HydrophobicContact CD1-CG 4.14Å; L138-L142 HydrophobicContact CD2-CD1 4.41Å; L138-L142 HydrophobicContact CG-CD1 4Å; L138-L142 HydrophobicContact CG-CG 4.24Å; L138-L142 PolarHBondContact O-N 2.98Å; L142-L145 HydrophobicContact CD2-CD1 4.27Å; L142-L145 PolarHBondContact O-N 3.05Å; L142-A146 VanDerWaalsContact O-CB 3.29Å; L142-A146 WeakPolarHBondContact O-CB 3.3Å; L142-A146 PolarHBondContact O-N 2.76Å
143	M	98.8	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.3	-48.2	171.6	175.2	-174.3	76.7	0	0	111.9	L66 L133 G139 W141 A146 A147 L157	L66-M143 HydrophobicContact CD1-CB 3.91Å; L133-M143 HydrophobicContact CB-CG 3.71Å; L133-M143 HydrophobicContact CB-SD 4.35Å; L133-M143 HydrophobicContact CD1-CG 4.29Å; L133-M143 VanDerWaalsContact O-SD 3.33Å; G139-M143 WeakPolarHBondContact O-CB 3.47Å; G139-M143 PolarHBondContact O-N 2.94Å; W141-M143 VanDerWaalsContact C-N 3.25Å; W141-M143 PolarHBondContact O-N 3.11Å; M143-A146 PolarHBondContact O-N 3.48Å; M143-A147 WeakPolarHBondContact O-CB 3.39Å; M143-A147 PolarHBondContact O-N 3.16Å; M143-L157 HydrophobicContact CE-CB 3.89Å; M143-L157 HydrophobicContact CE-CD1 4.22Å; M143-L157 HydrophobicContact CG-CB 4.41Å; M143-L157 HydrophobicContact CG-CD1 4.34Å; M143-L157 HydrophobicContact CG-CD2 3.58Å; M143-L157 HydrophobicContact CG-CG 4.34Å; M143-L157 HydrophobicContact SD-CB 3.76Å; M143-L157 HydrophobicContact SD-CD2 4.01Å; M143-L157 HydrophobicContact SD-CG 4.33Å
144	L	98.9	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-45.5	178.6	-63.5	169.9	0	0	0	110.5	G140 W141 A146 A147 I148 L157 A164 V215 I222 V245	G140-L144 WeakPolarHBondContact O-CG 3.19Å; G140-L144 PolarHBondContact O-N 3.25Å; W141-L144 WeakPolarHBondContact O-CB 3.23Å; W141-L144 PolarHBondContact O-N 3.24Å; W141-L144 VanDerWaalsContact O-N 3.09Å; L144-A146 VanDerWaalsContact C-N 3.3Å; L144-A146 PolarHBondContact O-N 2.92Å; L144-A147 PolarHBondContact O-N 3.3Å; L144-I148 WeakPolarHBondContact O-CD1 3.44Å; L144-I148 VanDerWaalsContact O-CG1 3.25Å; L144-I148 WeakPolarHBondContact O-CG1 3.15Å; L144-I148 PolarHBondContact O-N 3.34Å; L144-L157 HydrophobicContact CD2-CD1 4.08Å; L144-A164 HydrophobicContact CD1-CB 3.97Å; L144-V215 HydrophobicContact CD1-CG2 4.06Å; L144-I222 HydrophobicContact CB-CD1 4.28Å; L144-I222 HydrophobicContact CD2-CD1 3.64Å; L144-V245 HydrophobicContact CD1-CG1 3.98Å; L144-V245 HydrophobicContact CD1-CG2 3.95Å; L144-V245 HydrophobicContact CD2-CG1 4.03Å
145	L	98.9	Very high	98.6	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.052	12%	0.119	C	C	.	.	H	α-helix	trans	-61.3	-38.3	177.8	-66.9	170.3	0	0	0	112.5	V112 K116 W141 L142 A149 H213 V215	V112-L145 HydrophobicContact CG1-CD1 3.91Å; K116-L145 HydrophobicContact CD-CB 4.18Å; K116-L145 HydrophobicContact CD-CD1 4.4Å; K116-L145 HydrophobicContact CG-CB 4.21Å; W141-L145 PolarHBondContact O-N 3.38Å; W141-L145 VanDerWaalsContact O-N 3.12Å; L142-L145 HydrophobicContact CD2-CD1 4.27Å; L142-L145 PolarHBondContact O-N 3.05Å; L145-A149 WeakPolarHBondContact O-CB 3.31Å; L145-A149 PolarHBondContact O-N 3.38Å; L145-H213 HydrophobicContact CD1-CB 3.9Å; L145-H213 HydrophobicContact CD2-CB 4.27Å; L145-V215 HydrophobicContact CD2-CG1 3.62Å; L145-V215 HydrophobicContact CG-CG1 4.39Å
146	A	98.9	Very high	98.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-69.1	-43.9	176.4	0	0	0	0	0	111.8	V119 L120 L123 L133 L142 M143 L144 I148 A149 R150	V119-A146 HydrophobicContact CG1-CB 3.55Å; L120-A146 HydrophobicContact CD2-CB 4.25Å; L123-A146 HydrophobicContact CD1-CB 3.95Å; L133-A146 HydrophobicContact CD1-CB 4.06Å; L142-A146 VanDerWaalsContact O-CB 3.29Å; L142-A146 WeakPolarHBondContact O-CB 3.3Å; L142-A146 PolarHBondContact O-N 2.76Å; M143-A146 PolarHBondContact O-N 3.48Å; L144-A146 VanDerWaalsContact C-N 3.3Å; L144-A146 PolarHBondContact O-N 2.92Å; A146-I148 VanDerWaalsContact C-N 3.33Å; A146-I148 PolarHBondContact O-N 2.94Å; A146-A149 CarbonylContact O-C 3.59Å; A146-A149 PolarHBondContact O-N 3.44Å; A146-A149 VanDerWaalsContact O-N 3.1Å; A146-R150 PolarHBondContact O-N 2.88Å
147	A	98.8	Very high	98.6	Very high	3 Å²	3	21.8 Å²	21.8	3%	0.025	12%	0.117	C	C	.	.	H	α-helix	trans	-62.4	-38.5	178.2	0	0	0	0	0	113	M143 L144 A149 R150 P151 T154 L157 I222	M143-A147 WeakPolarHBondContact O-CB 3.39Å; M143-A147 PolarHBondContact O-N 3.16Å; L144-A147 PolarHBondContact O-N 3.3Å; A147-A149 VanDerWaalsContact C-N 3.32Å; A147-R150 CarbonylContact O-C 3.55Å; A147-P151 WeakPolarHBondContact O-CA 3.41Å; A147-T154 HydrophobicContact CB-CG2 3.92Å; A147-L157 HydrophobicContact CB-CD1 3.91Å; A147-L157 HydrophobicContact CB-CD2 4.01Å; A147-I222 HydrophobicContact CB-CD1 3.71Å; A147-I222 HydrophobicContact CB-CG1 3.9Å
148	I	98.8	Very high	98.7	Very high	62 Å²	62	21.3 Å²	21.3	32%	0.318	11%	0.114	S	C	.	.	H	α-helix	trans	-63.1	-40.7	173.2	-66.6	164.2	0	0	0	110.8	L144 A146 V215 I220 P221 I222	L144-I148 WeakPolarHBondContact O-CD1 3.44Å; L144-I148 VanDerWaalsContact O-CG1 3.25Å; L144-I148 WeakPolarHBondContact O-CG1 3.15Å; L144-I148 PolarHBondContact O-N 3.34Å; A146-I148 VanDerWaalsContact C-N 3.33Å; A146-I148 PolarHBondContact O-N 2.94Å; I148-V215 HydrophobicContact CD1-CG1 4.1Å; I148-I220 HydrophobicContact CD1-CG2 4.11Å; I148-I220 HydrophobicContact CG1-CG2 4.31Å; I148-P221 HydrophobicContact CG1-CG 4.16Å; I148-P221 HydrophobicContact CG2-CG 4.1Å; I148-I222 HydrophobicContact CG1-CD1 4.2Å; I148-I222 HydrophobicContact CG1-CG1 4.06Å
149	A	98.8	Very high	98.7	Very high	31 Å²	31	21.3 Å²	21.3	26%	0.256	11%	0.114	S	C	.	.	H	α-helix	trans	-83.7	-22.5	-174.7	0	0	0	0	0	114.2	L120 L145 A146 A147	L120-A149 HydrophobicContact CD1-CB 4.28Å; L120-A149 HydrophobicContact CD2-CB 3.8Å; L145-A149 WeakPolarHBondContact O-CB 3.31Å; L145-A149 PolarHBondContact O-N 3.38Å; A146-A149 CarbonylContact O-C 3.59Å; A146-A149 PolarHBondContact O-N 3.44Å; A146-A149 VanDerWaalsContact O-N 3.1Å; A147-A149 VanDerWaalsContact C-N 3.32Å
150	R	98.6	Very high	98.7	Very high	68 Å²	68	21.4 Å²	21.4	26%	0.257	11%	0.114	S	C	.	.			trans	-138.2	59.9	-177.6	-60.8	-67.7	-176.5	-87.2	-2	111.3	L120 D124 A146 A147 E152 K153 T154	L120-R150 HydrophobicContact CD2-CG 3.86Å; D124-R150 WeakPolarHBondContact OD1-CD 3.37Å; D124-R150 IonicContact OD1-CZ 3.87Å; D124-R150 IonicContact OD1-NE 2.88Å; D124-R150 PolarHBondContact OD1-NE 3.47Å; D124-R150 IonicContact OD1-NH2 2.73Å; D124-R150 IonicContact OD2-CZ 2.62Å; D124-R150 IonicContact OD2-NE 2.93Å; D124-R150 PolarHBondContact OD2-NE 2.76Å; D124-R150 VanDerWaalsContact OD2-NE 3.09Å; D124-R150 IonicContact OD2-NH2 3.16Å; D124-R150 PolarHBondContact OD2-NH2 2.77Å; A146-R150 PolarHBondContact O-N 2.88Å; A147-R150 CarbonylContact O-C 3.55Å; R150-E152 VanDerWaalsContact CD-OE1 3.32Å; R150-E152 WeakPolarHBondContact CD-OE1 3.31Å; R150-E152 PolarHBondContact O-N 3.09Å; R150-K153 HydrophobicContact CB-CB 4.04Å; R150-K153 HydrophobicContact CB-CG 4.45Å; R150-K153 PolarHBondContact O-N 3.21Å; R150-K153 VanDerWaalsContact O-N 3.15Å; R150-T154 PolarHBondContact O-N 3.46Å; R150-T154 PolarHBondContact O-OG1 3.35Å
151	P	98.3	Very high	98.7	Very high	79 Å²	79	21.4 Å²	21.4	51%	0.513	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-58.2	-35.3	-179.4	24.3	-34.4	0	0	0	112.1	A147 K153 T154	A147-P151 WeakPolarHBondContact O-CA 3.41Å; P151-K153 VanDerWaalsContact C-N 3.32Å; P151-K153 PolarHBondContact O-N 3.12Å; P151-T154 PolarHBondContact O-N 3.3Å
152	E	97.3	Very high	98.6	Very high	127 Å²	127	21.4 Å²	21.4	59%	0.593	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-69.5	-24.5	179.7	75.1	-64.7	158.1	0	0	114.2	R150	R150-E152 VanDerWaalsContact CD-OE1 3.32Å; R150-E152 WeakPolarHBondContact CD-OE1 3.31Å; R150-E152 PolarHBondContact O-N 3.09Å
153	K	98.2	Very high	98.6	Very high	42 Å²	42	21.5 Å²	21.5	18%	0.183	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-92.4	-1.6	175	-70.4	-85.1	-166.8	140.2	0	112.4	L123 T127 P130 Q131 R150 P151	L123-K153 PolarHBondContact O-NZ 3Å; T127-K153 PolarHBondContact O-NZ 2.82Å; P130-K153 CarbonylContact C-O 3.56Å; P130-K153 WeakPolarHBondContact CA-O 3.33Å; Q131-K153 PolarHBondContact N-O 3.25Å; R150-K153 HydrophobicContact CB-CB 4.04Å; R150-K153 HydrophobicContact CB-CG 4.45Å; R150-K153 PolarHBondContact O-N 3.21Å; R150-K153 VanDerWaalsContact O-N 3.15Å; P151-K153 VanDerWaalsContact C-N 3.32Å; P151-K153 PolarHBondContact O-N 3.12Å
154	T	98.6	Very high	98.6	Very high	9 Å²	9	21.5 Å²	21.5	6%	0.055	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	104.6	-171	-55.6	0	0	0	0	111.3	Q131 L133 A147 R150 P151 L157	Q131-T154 CarbonylContact O-C 3.52Å; L133-T154 HydrophobicContact CD1-CG2 4.12Å; L133-T154 HydrophobicContact CG-CG2 4.24Å; A147-T154 HydrophobicContact CB-CG2 3.92Å; R150-T154 PolarHBondContact O-N 3.46Å; R150-T154 PolarHBondContact O-OG1 3.35Å; P151-T154 PolarHBondContact O-N 3.3Å; T154-L157 HydrophobicContact CG2-CD2 3.45Å; T154-L157 VanDerWaalsContact CG2-CD2 3.45Å; T154-L157 HydrophobicContact CG2-CG 4.28Å
155	A	98.6	Very high	98.5	Very high	16 Å²	16	21.6 Å²	21.6	13%	0.132	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	-43.3	179.6	0	0	0	0	0	112.9	P61 P130 Q131 I132 C224 P225 L286	P61-A155 HydrophobicContact CB-CB 3.93Å; P130-A155 HydrophobicContact CB-CB 4.02Å; Q131-A155 PolarHBondContact O-N 2.98Å; I132-A155 HydrophobicContact CG1-CB 4.27Å; A155-C224 WeakPolarHBondContact O-CB 3.18Å; A155-P225 WeakPolarHBondContact O-CD 3.47Å; A155-L286 HydrophobicContact CB-CD1 3.95Å
156	A	98.9	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	165.7	180	0	0	0	0	0	110.7	I132 L133 P225 L282 L286	I132-A156 WeakPolarHBondContact CA-O 3.37Å; I132-A156 HydrophobicContact CG1-CB 4.35Å; I132-A156 HydrophobicContact CG2-CB 4.4Å; L133-A156 PolarHBondContact N-O 3.41Å; A156-P225 CarbonylContact C-O 3.34Å; A156-P225 VanDerWaalsContact CA-O 3.31Å; A156-P225 WeakPolarHBondContact CA-O 3.34Å; A156-P225 HydrophobicContact CB-CB 4.12Å; A156-P225 WeakPolarHBondContact CB-O 3.23Å; A156-L282 HydrophobicContact CB-CD1 4.26Å; A156-L282 HydrophobicContact CB-CD2 4.28Å; A156-L286 HydrophobicContact CB-CD1 3.93Å
157	L	98.9	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	135	-178.1	-58.5	-171.4	0	0	0	111.9	L133 M143 L144 A147 T154 I222 P225 V226 R227	L133-L157 HydrophobicContact CB-CD2 3.83Å; L133-L157 HydrophobicContact CD1-CD2 4.01Å; L133-L157 HydrophobicContact CG-CD2 4.1Å; M143-L157 HydrophobicContact CE-CB 3.89Å; M143-L157 HydrophobicContact CE-CD1 4.22Å; M143-L157 HydrophobicContact CG-CB 4.41Å; M143-L157 HydrophobicContact CG-CD1 4.34Å; M143-L157 HydrophobicContact CG-CD2 3.58Å; M143-L157 HydrophobicContact CG-CG 4.34Å; M143-L157 HydrophobicContact SD-CB 3.76Å; M143-L157 HydrophobicContact SD-CD2 4.01Å; M143-L157 HydrophobicContact SD-CG 4.33Å; L144-L157 HydrophobicContact CD2-CD1 4.08Å; A147-L157 HydrophobicContact CB-CD1 3.91Å; A147-L157 HydrophobicContact CB-CD2 4.01Å; T154-L157 HydrophobicContact CG2-CD2 3.45Å; T154-L157 VanDerWaalsContact CG2-CD2 3.45Å; T154-L157 HydrophobicContact CG2-CG 4.28Å; L157-I222 HydrophobicContact CD1-CD1 3.83Å; L157-I222 HydrophobicContact CD1-CG2 3.8Å; L157-P225 PolarHBondContact N-O 3.31Å; L157-V226 HydrophobicContact CB-CB 4.45Å; L157-V226 HydrophobicContact CB-CG1 4.15Å; L157-V226 HydrophobicContact CB-CG2 4.2Å; L157-V226 HydrophobicContact CD1-CG2 4.21Å; L157-V226 HydrophobicContact CG-CG2 4.43Å; L157-V226 CarbonylContact O-C 3.55Å; L157-V226 WeakPolarHBondContact O-CA 3.31Å; L157-R227 PolarHBondContact O-N 3.43Å
158	V	98.9	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	103.7	170.7	-174.9	0	0	0	0	109.5	I132 L133 V134 G135 R227 I229 T278 I279 L282	I132-V158 HydrophobicContact CG2-CG2 4.19Å; L133-V158 PolarHBondContact O-N 3.1Å; V134-V158 CarbonylContact C-O 3.54Å; V134-V158 VanDerWaalsContact CA-O 3.31Å; V134-V158 WeakPolarHBondContact CA-O 3.28Å; V134-V158 HydrophobicContact CG1-CB 4.24Å; V134-V158 HydrophobicContact CG1-CG1 4.37Å; V134-V158 HydrophobicContact CG2-CB 4.22Å; G135-V158 PolarHBondContact N-O 2.85Å; V158-R227 CarbonylContact C-O 3.51Å; V158-R227 VanDerWaalsContact CA-O 3.3Å; V158-R227 WeakPolarHBondContact CA-O 3.13Å; V158-R227 HydrophobicContact CG2-CB 4.39Å; V158-I229 HydrophobicContact CG1-CD1 4.26Å; V158-T278 HydrophobicContact CG1-CG2 4.32Å; V158-I279 HydrophobicContact CB-CG1 4.5Å; V158-I279 HydrophobicContact CG1-CG1 4.47Å; V158-I279 HydrophobicContact CG2-CG1 3.95Å; V158-L282 HydrophobicContact CG2-CD1 3.41Å; V158-L282 VanDerWaalsContact CG2-CD1 3.41Å
159	G	98.9	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.3	176	0	0	0	0	0	111.9	G135 S162 R227 I229	G135-G159 CarbonylContact O-C 3.54Å; G135-G159 WeakPolarHBondContact O-CA 3.22Å; G159-S162 VanDerWaalsContact CA-OG 3.29Å; G159-S162 WeakPolarHBondContact CA-OG 3.47Å; G159-R227 PolarHBondContact N-O 3.24Å; G159-I229 PolarHBondContact O-N 2.89Å
160	I	98.8	Very high	97.9	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.015	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	108	176.7	-53.8	167.1	0	0	0	108.2	K77 V134 G135 S136 S137 S162 I229 M266 M275	K77-I160 HydrophobicContact CD-CD1 4.05Å; K77-I160 HydrophobicContact CD-CG2 4.38Å; V134-I160 HydrophobicContact CG1-CD1 3.95Å; G135-I160 PolarHBondContact O-N 2.85Å; S136-I160 CarbonylContact C-O 3.57Å; S136-I160 VanDerWaalsContact CA-O 3.29Å; S136-I160 WeakPolarHBondContact CA-O 3.11Å; S137-I160 PolarHBondContact N-O 2.86Å; I160-S162 PolarHBondContact O-N 2.89Å; I160-I229 WeakPolarHBondContact CA-O 3.29Å; I160-M266 HydrophobicContact CG2-CB 3.66Å; I160-M266 HydrophobicContact CG2-CG 4.02Å; I160-M275 HydrophobicContact CD1-CB 4.47Å; I160-M275 HydrophobicContact CD1-CG 3.7Å; I160-M275 HydrophobicContact CD1-SD 3.29Å; I160-M275 WeakPolarHBondContact CD1-SD 3.5Å
161	A	98.3	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	51.1	44.1	-172.3	0	0	0	0	0	112.2	S137 A163 I229 D234	S137-A161 VanDerWaalsContact CA-O 3.25Å; S137-A161 WeakPolarHBondContact CA-O 3.41Å; A161-A163 PolarHBondContact O-N 3.29Å; A161-I229 PolarHBondContact N-O 3.38Å; A161-D234 WeakPolarHBondContact CB-OD2 3.42Å
162	S	98.1	Very high	97.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.			trans	-53.8	123.7	-172.6	-63	0	0	0	0	112.4	G159 I160 A164 I241	G159-S162 VanDerWaalsContact CA-OG 3.29Å; G159-S162 WeakPolarHBondContact CA-OG 3.47Å; I160-S162 PolarHBondContact O-N 2.89Å; S162-A164 VanDerWaalsContact C-N 3.34Å; S162-A164 PolarHBondContact O-N 3.43Å; S162-I241 VanDerWaalsContact O-CG2 3.31Å; S162-I241 WeakPolarHBondContact O-CG2 3.36Å
163	A	97.8	Very high	97.7	Very high	1 Å²	1	18 Å²	18	1%	0.008	11%	0.108	C	C	.	.			trans	-97.4	42.5	-176.4	0	0	0	0	0	112.3	S137 A161 D165 H166 V237	S137-A163 VanDerWaalsContact C-CB 3.5Å; S137-A163 PolarHBondContact O-N 3.49Å; A161-A163 PolarHBondContact O-N 3.29Å; A163-D165 PolarHBondContact O-N 3.05Å; A163-H166 HydrophobicContact CB-CB 3.88Å; A163-H166 WeakPolarHBondContact O-CB 3.42Å; A163-H166 PolarHBondContact O-N 3.32Å; A163-H166 VanDerWaalsContact O-N 3.11Å; A163-V237 HydrophobicContact CB-CG1 4.28Å; A163-V237 HydrophobicContact CB-CG2 3.92Å
164	A	98.4	Very high	97.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	124	179.8	0	0	0	0	0	110.2	L144 S162 H166 V215 L216 I241 V245	L144-A164 HydrophobicContact CD1-CB 3.97Å; S162-A164 VanDerWaalsContact C-N 3.34Å; S162-A164 PolarHBondContact O-N 3.43Å; A164-H166 PolarHBondContact O-N 3.12Å; A164-V215 HydrophobicContact CB-CG2 4.25Å; A164-L216 HydrophobicContact CB-CD1 4.09Å; A164-L216 HydrophobicContact CB-CD2 4.22Å; A164-L216 HydrophobicContact CB-CG 4.19Å; A164-L216 WeakPolarHBondContact O-CD1 3.31Å; A164-I241 HydrophobicContact CB-CG2 4.09Å; A164-V245 HydrophobicContact CB-CG2 3.75Å
165	D	98.3	Very high	97.5	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	11.1	-179.1	-52.4	7.2	0	0	0	114.4	W141 A163 F167 V168 T169 C214 V215 L216	W141-D165 PolarHBondContact NE1-OD1 3.45Å; A163-D165 PolarHBondContact O-N 3.05Å; D165-F167 PolarHBondContact O-N 3.31Å; D165-V168 PolarHBondContact O-N 3.09Å; D165-T169 HydrophobicContact CB-CG2 4.04Å; D165-T169 WeakPolarHBondContact O-CB 3.2Å; D165-T169 WeakPolarHBondContact O-CG2 3.47Å; D165-T169 PolarHBondContact O-N 3.36Å; D165-T169 PolarHBondContact O-OG1 2.84Å; D165-C214 HydrophobicContact CB-CB 4.39Å; D165-C214 VanDerWaalsContact CG-CA 3.45Å; D165-C214 WeakPolarHBondContact OD1-CA 3.31Å; D165-C214 WeakPolarHBondContact OD2-CA 3.16Å; D165-C214 VanDerWaalsContact OD2-CB 3.29Å; D165-C214 WeakPolarHBondContact OD2-CB 3.43Å; D165-V215 VanDerWaalsContact CG-N 3.27Å; D165-V215 WeakPolarHBondContact OD1-CG2 3.46Å; D165-V215 PolarHBondContact OD1-N 3.16Å; D165-V215 PolarHBondContact OD2-N 3.15Å; D165-L216 HydrophobicContact CB-CD1 4.1Å; D165-L216 HydrophobicContact CB-CG 4.31Å; D165-L216 VanDerWaalsContact OD2-CB 3.26Å; D165-L216 WeakPolarHBondContact OD2-CB 3.18Å; D165-L216 WeakPolarHBondContact OD2-CG 3.33Å; D165-L216 PolarHBondContact OD2-N 3.46Å
166	H	96.8	Very high	97.4	Very high	28 Å²	28	25.5 Å²	25.5	13%	0.13	15%	0.152	C	C	.	.	H	α-helix	trans	-67.4	-42.7	-161.8	-176.3	55.2	0	0	0	112.5	A163 A164 V168 T169 A170 D236 P238 I241	A163-H166 HydrophobicContact CB-CB 3.88Å; A163-H166 WeakPolarHBondContact O-CB 3.42Å; A163-H166 PolarHBondContact O-N 3.32Å; A163-H166 VanDerWaalsContact O-N 3.11Å; A164-H166 PolarHBondContact O-N 3.12Å; H166-V168 VanDerWaalsContact C-N 3.31Å; H166-V168 PolarHBondContact O-N 3.11Å; H166-T169 WeakPolarHBondContact CA-OG1 3.42Å; H166-T169 PolarHBondContact O-N 3.32Å; H166-T169 PolarHBondContact O-OG1 3.31Å; H166-T169 VanDerWaalsContact O-OG1 3.13Å; H166-A170 WeakPolarHBondContact O-CB 3.36Å; H166-A170 PolarHBondContact O-N 3.36Å; H166-D236 PolarHBondContact NE2-O 3.23Å; H166-P238 WeakPolarHBondContact CE1-CD 3.48Å; H166-I241 HydrophobicContact CB-CD1 3.97Å; H166-I241 VanDerWaalsContact ND1-CD1 3.29Å; H166-I241 WeakPolarHBondContact ND1-CD1 3.41Å
167	F	95.4	Very high	97.3	Very high	20 Å²	20	31.4 Å²	31.4	9%	0.088	18%	0.179	C	C	.	.	H	α-helix	trans	-59.1	-43.2	178.3	-63	-66.2	0	0	0	112.1	Y69 L138 W141 D165 F171 W188 F202 F206 L207	Y69-F167 HydrophobicContact CD2-CZ 4.46Å; Y69-F167 HydrophobicContact CG-CZ 4.14Å; L138-F167 HydrophobicContact CB-CE2 4.49Å; L138-F167 HydrophobicContact CD1-CE2 4.16Å; W141-F167 HydrophobicContact CE3-CD2 4.44Å; W141-F167 HydrophobicContact CZ3-CD2 4.05Å; D165-F167 PolarHBondContact O-N 3.31Å; F167-F171 WeakPolarHBondContact O-CB 3.5Å; F167-F171 PolarHBondContact O-N 2.86Å; F167-F171 VanDerWaalsContact O-N 3.12Å; F167-W188 WeakPolarHBondContact O-CZ3 3.42Å; F167-F202 HydrophobicContact CD1-CD1 4.34Å; F167-F202 AromaticContact CD1-CE1 3.74Å; F167-F202 HydrophobicContact CD1-CE1 3.74Å; F167-F202 HydrophobicContact CD1-CE2 4.45Å; F167-F202 AromaticContact CD1-CZ 3.81Å; F167-F202 HydrophobicContact CD1-CZ 3.81Å; F167-F202 HydrophobicContact CE1-CD1 4.49Å; F167-F202 AromaticContact CE1-CE1 3.49Å; F167-F202 HydrophobicContact CE1-CE1 3.49Å; F167-F202 VanDerWaalsContact CE1-CE1 3.49Å; F167-F202 HydrophobicContact CE1-CE2 4.38Å; F167-F202 AromaticContact CE1-CZ 3.43Å; F167-F202 HydrophobicContact CE1-CZ 3.43Å; F167-F202 VanDerWaalsContact CE1-CZ 3.43Å; F167-F202 HydrophobicContact CZ-CE1 4.18Å; F167-F202 HydrophobicContact CZ-CZ 4.38Å; F167-F206 HydrophobicContact CB-CE1 4.07Å; F167-F206 HydrophobicContact CD2-CE1 4.23Å; F167-F206 HydrophobicContact CD2-CZ 4.09Å; F167-F206 HydrophobicContact CE2-CZ 4.5Å; F167-F206 HydrophobicContact CG-CE1 4.03Å; F167-F206 HydrophobicContact CG-CZ 4.35Å; F167-L207 HydrophobicContact CB-CD2 4.38Å
168	V	97.4	Very high	97.2	Very high	7 Å²	7	34 Å²	34	4%	0.042	20%	0.195	C	C	.	.	H	α-helix	trans	-69.2	-49.6	179.9	174	0	0	0	0	110.8	W141 D165 H166 F171 N172 A210 E211	W141-V168 HydrophobicContact CH2-CG2 4.28Å; D165-V168 PolarHBondContact O-N 3.09Å; H166-V168 VanDerWaalsContact C-N 3.31Å; H166-V168 PolarHBondContact O-N 3.11Å; V168-F171 PolarHBondContact O-N 2.93Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.49Å; V168-N172 VanDerWaalsContact O-CB 3.3Å; V168-N172 WeakPolarHBondContact O-CB 3.33Å; V168-N172 PolarHBondContact O-N 2.87Å; V168-N172 PolarHBondContact O-ND2 3.38Å; V168-A210 HydrophobicContact CG2-CB 3.7Å; V168-E211 HydrophobicContact CB-CG 4.45Å; V168-E211 HydrophobicContact CG1-CG 3.59Å; V168-E211 HydrophobicContact CG2-CG 3.97Å
169	T	96.6	Very high	97.1	Very high	54 Å²	54	36.7 Å²	36.7	33%	0.331	21%	0.205	S	C	.	.	H	α-helix	trans	-66.5	-40.1	-177.4	51.2	0	0	0	0	112	D165 H166 N172 S173	D165-T169 HydrophobicContact CB-CG2 4.04Å; D165-T169 WeakPolarHBondContact O-CB 3.2Å; D165-T169 WeakPolarHBondContact O-CG2 3.47Å; D165-T169 PolarHBondContact O-N 3.36Å; D165-T169 PolarHBondContact O-OG1 2.84Å; H166-T169 WeakPolarHBondContact CA-OG1 3.42Å; H166-T169 PolarHBondContact O-N 3.32Å; H166-T169 PolarHBondContact O-OG1 3.31Å; H166-T169 VanDerWaalsContact O-OG1 3.13Å; T169-N172 PolarHBondContact O-N 2.75Å; T169-S173 WeakPolarHBondContact O-CB 3.33Å; T169-S173 PolarHBondContact O-N 3.25Å; T169-S173 PolarHBondContact O-OG 3.1Å
170	A	95.9	Very high	96.9	Very high	25 Å²	25	41.3 Å²	41.3	21%	0.207	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-45	176.5	0	0	0	0	0	111.4	H166 S173 W188	H166-A170 WeakPolarHBondContact O-CB 3.36Å; H166-A170 PolarHBondContact O-N 3.36Å; A170-S173 PolarHBondContact O-N 2.83Å; A170-W188 HydrophobicContact CB-CH2 3.76Å
171	F	96.8	Very high	96.9	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-48.9	174.1	-177.6	-103.4	0	0	0	111.2	F167 V168 S173 L174 R179 L182 E183 W188 M204 L207	F167-F171 WeakPolarHBondContact O-CB 3.5Å; F167-F171 PolarHBondContact O-N 2.86Å; F167-F171 VanDerWaalsContact O-N 3.12Å; V168-F171 PolarHBondContact O-N 2.93Å; F171-S173 PolarHBondContact O-N 3.37Å; F171-L174 HydrophobicContact CD2-CD1 3.92Å; F171-L174 HydrophobicContact CE2-CD1 4.3Å; F171-L174 VanDerWaalsContact O-CB 3.26Å; F171-L174 WeakPolarHBondContact O-CB 3.16Å; F171-L174 VanDerWaalsContact O-CG 3.32Å; F171-L174 WeakPolarHBondContact O-CG 3.47Å; F171-L174 PolarHBondContact O-N 3.43Å; F171-R179 HydrophobicContact CE1-CB 4.47Å; F171-R179 HydrophobicContact CE1-CG 4.25Å; F171-R179 HydrophobicContact CZ-CB 4.21Å; F171-R179 HydrophobicContact CZ-CG 4.17Å; F171-R179 VanDerWaalsContact O-CD 3.23Å; F171-R179 WeakPolarHBondContact O-CD 3.44Å; F171-L182 HydrophobicContact CE2-CB 4.21Å; F171-L182 HydrophobicContact CE2-CD1 4.08Å; F171-E183 HydrophobicContact CZ-CG 4.08Å; F171-W188 HydrophobicContact CB-CE3 4Å; F171-W188 HydrophobicContact CB-CH2 4.08Å; F171-W188 HydrophobicContact CB-CZ3 3.71Å; F171-W188 HydrophobicContact CD2-CB 4.29Å; F171-W188 AromaticContact CD2-CD2 3.79Å; F171-W188 HydrophobicContact CD2-CD2 3.79Å; F171-W188 AromaticContact CD2-CE3 3.83Å; F171-W188 HydrophobicContact CD2-CE3 3.83Å; F171-W188 HydrophobicContact CD2-CG 4.03Å; F171-W188 HydrophobicContact CD2-CZ3 4.36Å; F171-W188 HydrophobicContact CE2-CB 4.31Å; F171-W188 HydrophobicContact CE2-CG 4.37Å; F171-W188 HydrophobicContact CG-CE3 4.36Å; F171-M204 HydrophobicContact CE2-CE 3.91Å; F171-M204 HydrophobicContact CE2-SD 4.3Å; F171-M204 HydrophobicContact CZ-CE 4.1Å; F171-M204 HydrophobicContact CZ-SD 3.91Å; F171-L207 HydrophobicContact CB-CD1 4.25Å; F171-L207 HydrophobicContact CB-CD2 4.19Å; F171-L207 HydrophobicContact CD1-CD1 4.07Å; F171-L207 HydrophobicContact CD2-CD1 3.59Å; F171-L207 HydrophobicContact CE1-CD1 4.31Å; F171-L207 HydrophobicContact CE2-CD1 3.86Å; F171-L207 HydrophobicContact CG-CD1 3.69Å; F171-L207 HydrophobicContact CZ-CD1 4.22Å
172	N	96.1	Very high	96.8	Very high	63 Å²	63	48.8 Å²	48.8	34%	0.337	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-17.1	-178	-79	-35.3	0	0	0	114.5	V168 T169 L174 R179	V168-N172 WeakPolarHBondContact CG1-ND2 3.49Å; V168-N172 VanDerWaalsContact O-CB 3.3Å; V168-N172 WeakPolarHBondContact O-CB 3.33Å; V168-N172 PolarHBondContact O-N 2.87Å; V168-N172 PolarHBondContact O-ND2 3.38Å; T169-N172 PolarHBondContact O-N 2.75Å; N172-L174 VanDerWaalsContact C-N 3.34Å; N172-R179 PolarHBondContact O-NH1 3.01Å; N172-R179 PolarHBondContact OD1-NH1 3.32Å
173	S	95.7	Very high	96.6	Very high	99 Å²	99	53.1 Å²	53.1	69%	0.692	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.4	174.6	-59.9	0	0	0	0	113.3	T169 A170 F171	T169-S173 WeakPolarHBondContact O-CB 3.33Å; T169-S173 PolarHBondContact O-N 3.25Å; T169-S173 PolarHBondContact O-OG 3.1Å; A170-S173 PolarHBondContact O-N 2.83Å; F171-S173 PolarHBondContact O-N 3.37Å
174	L	96.1	Very high	96.5	Very high	45 Å²	45	57.4 Å²	57.4	24%	0.236	32%	0.317	C	S	.	.	S	Bend	trans	-66.8	151.3	175.5	-64.7	173.7	0	0	0	111.3	F171 N172 L176 R179 L182 W188	F171-L174 HydrophobicContact CD2-CD1 3.92Å; F171-L174 HydrophobicContact CE2-CD1 4.3Å; F171-L174 VanDerWaalsContact O-CB 3.26Å; F171-L174 WeakPolarHBondContact O-CB 3.16Å; F171-L174 VanDerWaalsContact O-CG 3.32Å; F171-L174 WeakPolarHBondContact O-CG 3.47Å; F171-L174 PolarHBondContact O-N 3.43Å; N172-L174 VanDerWaalsContact C-N 3.34Å; L174-L176 PolarHBondContact O-N 3Å; L174-R179 HydrophobicContact CB-CG 3.66Å; L174-R179 HydrophobicContact CD1-CG 4.47Å; L174-R179 PolarHBondContact O-NE 3.27Å; L174-L182 HydrophobicContact CD1-CD1 3.78Å; L174-W188 HydrophobicContact CD1-CZ2 4.11Å
175	P	97.6	Very high	96.4	Very high	86 Å²	86	64 Å²	64	56%	0.558	35%	0.345	S	S	*	.			trans	-52.5	141.2	172.2	-24.7	34.1	0	0	0	111.6	E177 T178 R179	P175-E177 VanDerWaalsContact C-N 3.26Å; P175-E177 PolarHBondContact O-N 3.06Å; P175-T178 WeakPolarHBondContact O-CB 3.46Å; P175-T178 PolarHBondContact O-N 3.26Å; P175-R179 PolarHBondContact O-N 3.43Å
176	L	96.5	Very high	96.3	Very high	94 Å²	94	65.5 Å²	65.5	49%	0.492	36%	0.361	S	S	.	.	H	α-helix	trans	-53.3	-43	-175.3	179.2	62.7	0	0	0	112.9	L174 R179 K180	L174-L176 PolarHBondContact O-N 3Å; L176-R179 PolarHBondContact O-N 3.27Å; L176-K180 WeakPolarHBondContact O-CG 3.4Å; L176-K180 PolarHBondContact O-N 3.08Å
177	E	97	Very high	96.3	Very high	124 Å²	124	67 Å²	67	58%	0.579	37%	0.369	S	S	*	.	H	α-helix	trans	-67.3	-38.4	-179.5	-61	-53	122.1	0	0	111.8	P175 K180 E181	P175-E177 VanDerWaalsContact C-N 3.26Å; P175-E177 PolarHBondContact O-N 3.06Å; E177-K180 PolarHBondContact O-N 2.73Å; E177-K180 IonicContact OE1-NZ 3.11Å; E177-K180 PolarHBondContact OE1-NZ 3.48Å; E177-K180 IonicContact OE2-NZ 2.84Å; E177-E181 PolarHBondContact O-N 3.09Å
178	T	96.1	Very high	96.3	Very high	54 Å²	54	66.7 Å²	66.7	33%	0.331	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-42.2	172.8	-53.9	0	0	0	0	111.5	P175 E181 L182	P175-T178 WeakPolarHBondContact O-CB 3.46Å; P175-T178 PolarHBondContact O-N 3.26Å; T178-E181 PolarHBondContact O-N 3.13Å; T178-L182 HydrophobicContact CG2-CD1 4.04Å; T178-L182 HydrophobicContact CG2-CG 4.5Å; T178-L182 VanDerWaalsContact O-CG 3.28Å; T178-L182 WeakPolarHBondContact O-CG 3.49Å; T178-L182 PolarHBondContact O-N 3.14Å
179	R	96.1	Very high	96.1	Very high	57 Å²	57	68 Å²	68	22%	0.215	38%	0.377	C	S	.	.	H	α-helix	trans	-61.7	-48.1	176.7	-70.6	-167.3	-67.7	169.8	-3.2	111.9	F171 N172 L174 P175 L176 E181 L182 E183	F171-R179 HydrophobicContact CE1-CB 4.47Å; F171-R179 HydrophobicContact CE1-CG 4.25Å; F171-R179 HydrophobicContact CZ-CB 4.21Å; F171-R179 HydrophobicContact CZ-CG 4.17Å; F171-R179 VanDerWaalsContact O-CD 3.23Å; F171-R179 WeakPolarHBondContact O-CD 3.44Å; N172-R179 PolarHBondContact O-NH1 3.01Å; N172-R179 PolarHBondContact OD1-NH1 3.32Å; L174-R179 HydrophobicContact CB-CG 3.66Å; L174-R179 HydrophobicContact CD1-CG 4.47Å; L174-R179 PolarHBondContact O-NE 3.27Å; P175-R179 PolarHBondContact O-N 3.43Å; L176-R179 PolarHBondContact O-N 3.27Å; R179-E181 VanDerWaalsContact C-N 3.28Å; R179-E181 PolarHBondContact O-N 3.26Å; R179-L182 PolarHBondContact O-N 3.03Å; R179-E183 WeakPolarHBondContact O-CB 3.23Å; R179-E183 VanDerWaalsContact O-CG 3.3Å; R179-E183 WeakPolarHBondContact O-CG 3.07Å; R179-E183 PolarHBondContact O-N 3.31Å
180	K	96.2	Very high	95.7	Very high	97 Å²	97	68.2 Å²	68.2	42%	0.422	38%	0.375	S	S	.	.	H	α-helix	trans	-58.1	-40.8	177.7	-72.3	175.1	-175.6	161.5	0	112.3	L176 E177 A184	L176-K180 WeakPolarHBondContact O-CG 3.4Å; L176-K180 PolarHBondContact O-N 3.08Å; E177-K180 PolarHBondContact O-N 2.73Å; E177-K180 IonicContact OE1-NZ 3.11Å; E177-K180 PolarHBondContact OE1-NZ 3.48Å; E177-K180 IonicContact OE2-NZ 2.84Å; K180-A184 WeakPolarHBondContact O-CB 3.39Å; K180-A184 PolarHBondContact O-N 3.21Å
181	E	96.8	Very high	95.3	Very high	137 Å²	137	72.3 Å²	72.3	64%	0.64	40%	0.399	S	S	*	.	H	α-helix	trans	-61.8	-48.3	176.3	-175.3	-173.8	166.7	0	0	111.3	E177 T178 R179 A184 K185	E177-E181 PolarHBondContact O-N 3.09Å; T178-E181 PolarHBondContact O-N 3.13Å; R179-E181 VanDerWaalsContact C-N 3.28Å; R179-E181 PolarHBondContact O-N 3.26Å; E181-A184 PolarHBondContact O-N 2.63Å; E181-K185 WeakPolarHBondContact O-CB 3.25Å; E181-K185 PolarHBondContact O-N 2.86Å
182	L	96.3	Very high	94.6	Very high	24 Å²	24	72.5 Å²	72.5	13%	0.126	40%	0.402	C	S	.	.	H	α-helix	trans	-66.1	-39.8	179.2	-65.4	171.1	0	0	0	111.9	F171 L174 T178 R179 K185 G186 E187 W188 M204	F171-L182 HydrophobicContact CE2-CB 4.21Å; F171-L182 HydrophobicContact CE2-CD1 4.08Å; L174-L182 HydrophobicContact CD1-CD1 3.78Å; T178-L182 HydrophobicContact CG2-CD1 4.04Å; T178-L182 HydrophobicContact CG2-CG 4.5Å; T178-L182 VanDerWaalsContact O-CG 3.28Å; T178-L182 WeakPolarHBondContact O-CG 3.49Å; T178-L182 PolarHBondContact O-N 3.14Å; R179-L182 PolarHBondContact O-N 3.03Å; L182-K185 CarbonylContact O-C 3.59Å; L182-K185 PolarHBondContact O-N 2.95Å; L182-G186 PolarHBondContact O-N 2.8Å; L182-E187 WeakPolarHBondContact CD2-O 3.46Å; L182-E187 PolarHBondContact O-N 3.11Å; L182-W188 HydrophobicContact CD1-CB 4.41Å; L182-W188 VanDerWaalsContact CD1-CD1 3.46Å; L182-W188 HydrophobicContact CD1-CG 4.1Å; L182-M204 HydrophobicContact CB-CE 3.92Å; L182-M204 WeakPolarHBondContact O-CE 3.38Å
183	E	95.5	Very high	93.9	Very high	90 Å²	90	77.9 Å²	77.9	42%	0.421	42%	0.422	S	S	.	.	H	α-helix	trans	-60.3	-44.8	174.2	-75.6	171.9	172.3	0	0	111.7	F171 R179 K185 G186 M204	F171-E183 HydrophobicContact CZ-CG 4.08Å; R179-E183 WeakPolarHBondContact O-CB 3.23Å; R179-E183 VanDerWaalsContact O-CG 3.3Å; R179-E183 WeakPolarHBondContact O-CG 3.07Å; R179-E183 PolarHBondContact O-N 3.31Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 2.75Å; E183-G186 PolarHBondContact O-N 3.1Å; E183-M204 HydrophobicContact CB-SD 4.39Å; E183-M204 HydrophobicContact CG-SD 3.86Å
184	A	95.9	Very high	92.8	Very high	92 Å²	92	76.8 Å²	76.8	76%	0.76	41%	0.406	S	S	*	.	H	α-helix	trans	-65.5	-34.8	175.6	0	0	0	0	0	112.2	K180 E181 G186	K180-A184 WeakPolarHBondContact O-CB 3.39Å; K180-A184 PolarHBondContact O-N 3.21Å; E181-A184 PolarHBondContact O-N 2.63Å; A184-G186 VanDerWaalsContact C-N 3.33Å
185	K	95.6	Very high	92	Very high	137 Å²	137	76.9 Å²	76.9	60%	0.596	41%	0.409	S	S	*	.	H	α-helix	trans	-72.3	-25.4	174.2	-170.9	-177.5	175.3	-166.5	0	112.7	E181 L182 E183 E187	E181-K185 WeakPolarHBondContact O-CB 3.25Å; E181-K185 PolarHBondContact O-N 2.86Å; L182-K185 CarbonylContact O-C 3.59Å; L182-K185 PolarHBondContact O-N 2.95Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 2.75Å; K185-E187 VanDerWaalsContact C-N 3.34Å
186	G	96.4	Very high	91.1	Very high	34 Å²	34	82.7 Å²	82.7	35%	0.351	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	2.9	-178.6	0	0	0	0	0	115	L182 E183 A184 M204	L182-G186 PolarHBondContact O-N 2.8Å; E183-G186 PolarHBondContact O-N 3.1Å; A184-G186 VanDerWaalsContact C-N 3.33Å; G186-M204 PolarHBondContact O-N 3.04Å; G186-M204 VanDerWaalsContact O-N 3.08Å
187	E	95.6	Very high	90.3	Very high	60 Å²	60	84.6 Å²	84.6	28%	0.28	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	138.9	-174.2	-175.7	-173.9	74.6	0	0	112	L182 K185 S189 K201 F202	L182-E187 WeakPolarHBondContact CD2-O 3.46Å; L182-E187 PolarHBondContact O-N 3.11Å; K185-E187 VanDerWaalsContact C-N 3.34Å; E187-S189 PolarHBondContact OE1-OG 2.7Å; E187-K201 HydrophobicContact CG-CB 4.35Å; E187-K201 WeakPolarHBondContact OE2-CD 3.29Å; E187-F202 CarbonylContact C-O 3.51Å; E187-F202 WeakPolarHBondContact CA-O 3.3Å
188	W	95.6	Very high	89.8	Confident	14 Å²	14	80.2 Å²	80.2	5%	0.053	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.9	167.7	-179.7	36.1	0	0	0	110.6	F167 A170 F171 L174 L182 L190 F202 M204 L207	F167-W188 WeakPolarHBondContact O-CZ3 3.42Å; A170-W188 HydrophobicContact CB-CH2 3.76Å; F171-W188 HydrophobicContact CB-CE3 4Å; F171-W188 HydrophobicContact CB-CH2 4.08Å; F171-W188 HydrophobicContact CB-CZ3 3.71Å; F171-W188 HydrophobicContact CD2-CB 4.29Å; F171-W188 AromaticContact CD2-CD2 3.79Å; F171-W188 HydrophobicContact CD2-CD2 3.79Å; F171-W188 AromaticContact CD2-CE3 3.83Å; F171-W188 HydrophobicContact CD2-CE3 3.83Å; F171-W188 HydrophobicContact CD2-CG 4.03Å; F171-W188 HydrophobicContact CD2-CZ3 4.36Å; F171-W188 HydrophobicContact CE2-CB 4.31Å; F171-W188 HydrophobicContact CE2-CG 4.37Å; F171-W188 HydrophobicContact CG-CE3 4.36Å; L174-W188 HydrophobicContact CD1-CZ2 4.11Å; L182-W188 HydrophobicContact CD1-CB 4.41Å; L182-W188 VanDerWaalsContact CD1-CD1 3.46Å; L182-W188 HydrophobicContact CD1-CG 4.1Å; W188-L190 HydrophobicContact CD2-CG 4.37Å; W188-L190 HydrophobicContact CH2-CD1 3.81Å; W188-L190 HydrophobicContact CH2-CD2 4.4Å; W188-L190 HydrophobicContact CH2-CG 4.36Å; W188-L190 HydrophobicContact CZ2-CD1 3.8Å; W188-L190 HydrophobicContact CZ2-CD2 3.55Å; W188-L190 HydrophobicContact CZ2-CG 3.87Å; W188-L190 HydrophobicContact CZ3-CD1 4.24Å; W188-F202 HydrophobicContact CE3-CD2 4.2Å; W188-F202 PolarHBondContact N-O 2.82Å; W188-F202 PolarHBondContact O-N 3Å; W188-M204 HydrophobicContact CB-CE 3.99Å; W188-L207 HydrophobicContact CB-CD1 4.36Å; W188-L207 HydrophobicContact CE3-CD1 4.19Å; W188-L207 HydrophobicContact CE3-CD2 4.1Å; W188-L207 HydrophobicContact CZ3-CD2 4.29Å
189	S	92.9	Very high	89.4	Confident	35 Å²	35	80.9 Å²	80.9	25%	0.245	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.2	177.8	-65.3	0	0	0	0	111.3	E187 Y200	E187-S189 PolarHBondContact OE1-OG 2.7Å; S189-Y200 CarbonylContact C-O 3.53Å; S189-Y200 VanDerWaalsContact CA-O 3.26Å; S189-Y200 WeakPolarHBondContact CA-O 3.45Å
190	L	89	Confident	89.1	Confident	58 Å²	58	80.5 Å²	80.5	30%	0.304	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137.7	175.6	-72.4	179.1	0	0	0	111.1	W188 S192 L199 Y200 F202	W188-L190 HydrophobicContact CD2-CG 4.37Å; W188-L190 HydrophobicContact CH2-CD1 3.81Å; W188-L190 HydrophobicContact CH2-CD2 4.4Å; W188-L190 HydrophobicContact CH2-CG 4.36Å; W188-L190 HydrophobicContact CZ2-CD1 3.8Å; W188-L190 HydrophobicContact CZ2-CD2 3.55Å; W188-L190 HydrophobicContact CZ2-CG 3.87Å; W188-L190 HydrophobicContact CZ3-CD1 4.24Å; L190-S192 PolarHBondContact O-N 3.2Å; L190-L199 CarbonylContact O-C 3.52Å; L190-L199 VanDerWaalsContact O-CA 3.23Å; L190-L199 WeakPolarHBondContact O-CA 3.48Å; L190-Y200 PolarHBondContact N-O 2.82Å; L190-Y200 PolarHBondContact O-N 2.88Å; L190-F202 HydrophobicContact CD1-CE2 4.01Å; L190-F202 HydrophobicContact CG-CE2 4.41Å
191	P	87.3	Confident	88.9	Confident	110 Å²	110	80 Å²	80	71%	0.714	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53	135.5	169.6	-25	35	0	0	0	111.6
192	S	83.1	Confident	88.8	Confident	13 Å²	13	73.7 Å²	73.7	9%	0.091	39%	0.391	C	S	.	.			trans	-137.8	131.8	178.9	-178.6	0	0	0	0	110.4	L190 H194 G198 Y200	L190-S192 PolarHBondContact O-N 3.2Å; S192-H194 PolarHBondContact O-N 2.87Å; S192-H194 WeakPolarHBondContact OG-CB 3.41Å; S192-H194 PolarHBondContact OG-N 2.85Å; S192-H194 VanDerWaalsContact OG-N 3.09Å; S192-G198 PolarHBondContact N-O 3.47Å; S192-G198 CarbonylContact O-C 3.44Å; S192-G198 VanDerWaalsContact O-C 3.23Å; S192-G198 WeakPolarHBondContact O-CA 3.38Å; S192-Y200 WeakPolarHBondContact OG-CD2 3.42Å; S192-Y200 WeakPolarHBondContact OG-CE2 3.41Å
193	K	79.7	Confident	88.8	Confident	176 Å²	176	74.9 Å²	74.9	77%	0.765	40%	0.402	S	S	*	.	S	Bend	trans	-86.3	7.8	170	-60.4	169.7	-173.2	159.1	0	111.6	E235	K193-E235 IonicContact NZ-OE2 3.76Å; K193-E235 PolarHBondContact NZ-OE2 2.86Å
194	H	73.9	Confident	88.8	Confident	76 Å²	76	71 Å²	71	35%	0.352	38%	0.384	S	S	.	.	S	Bend	trans	-119.4	-8.1	-166.4	-60.1	-35.2	0	0	0	114.1	S192 Y200 R265	S192-H194 PolarHBondContact O-N 2.87Å; S192-H194 WeakPolarHBondContact OG-CB 3.41Å; S192-H194 PolarHBondContact OG-N 2.85Å; S192-H194 VanDerWaalsContact OG-N 3.09Å; H194-Y200 WeakPolarHBondContact CB-OH 3.41Å; H194-R265 PolarHBondContact ND1-NH1 2.92Å
195	T	78.5	Confident	88.8	Confident	47 Å²	47	71.9 Å²	71.9	29%	0.288	38%	0.375	S	S	.	.	S	Bend	trans	-114	152.4	174.6	60.8	0	0	0	0	110	E197 G198 L199 Y200	T195-E197 VanDerWaalsContact C-N 3.26Å; T195-E197 PolarHBondContact O-N 2.79Å; T195-G198 PolarHBondContact O-N 2.93Å; T195-G198 VanDerWaalsContact O-N 3.08Å; T195-G198 PolarHBondContact OG1-N 3.48Å; T195-L199 PolarHBondContact OG1-N 3.19Å; T195-L199 PolarHBondContact OG1-O 3.35Å; T195-Y200 HydrophobicContact CG2-CD1 3.58Å; T195-Y200 HydrophobicContact CG2-CE1 3.33Å
196	E	78.3	Confident	88.9	Confident	208 Å²	208	65.8 Å²	65.8	97%	0.972	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-36.6	176.3	-66.7	-176.2	174.9	0	0	111.8	G198	E196-G198 PolarHBondContact O-N 2.81Å
197	E	80.5	Confident	88.9	Confident	134 Å²	134	64.4 Å²	64.4	63%	0.626	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-9.1	175.8	-62.4	-172.4	-175.7	0	0	113.4	T195 L199 K201	T195-E197 VanDerWaalsContact C-N 3.26Å; T195-E197 PolarHBondContact O-N 2.79Å; E197-L199 PolarHBondContact O-N 3.05Å; E197-K201 IonicContact OE2-NZ 2.66Å; E197-K201 PolarHBondContact OE2-NZ 2.97Å
198	G	86.1	Confident	89	Confident	32 Å²	32	68.1 Å²	68.1	33%	0.33	35%	0.345	S	S	.	.	S	Bend	trans	69.9	12.2	-177.6	0	0	0	0	0	114.4	S192 T195 E196	S192-G198 PolarHBondContact N-O 3.47Å; S192-G198 CarbonylContact O-C 3.44Å; S192-G198 VanDerWaalsContact O-C 3.23Å; S192-G198 WeakPolarHBondContact O-CA 3.38Å; T195-G198 PolarHBondContact O-N 2.93Å; T195-G198 VanDerWaalsContact O-N 3.08Å; T195-G198 PolarHBondContact OG1-N 3.48Å; E196-G198 PolarHBondContact O-N 2.81Å
199	L	89.2	Confident	89.1	Confident	67 Å²	67	69.6 Å²	69.6	35%	0.351	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.5	-176.6	-65	167.6	0	0	0	111.5	L190 T195 E197	L190-L199 CarbonylContact O-C 3.52Å; L190-L199 VanDerWaalsContact O-CA 3.23Å; L190-L199 WeakPolarHBondContact O-CA 3.48Å; T195-L199 PolarHBondContact OG1-N 3.19Å; T195-L199 PolarHBondContact OG1-O 3.35Å; E197-L199 PolarHBondContact O-N 3.05Å
200	Y	89.1	Confident	89.3	Confident	49 Å²	49	68 Å²	68	19%	0.192	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.2	156.6	-71.7	-53.6	0	0	0	109.2	Y69 S189 L190 S192 H194 T195 F202	Y69-Y200 HydrophobicContact CD1-CD1 4.02Å; Y69-Y200 AromaticContact CD1-CE1 3.94Å; Y69-Y200 HydrophobicContact CD1-CE1 3.94Å; Y69-Y200 HydrophobicContact CD1-CG 4.44Å; Y69-Y200 AromaticContact CE1-CD1 3.53Å; Y69-Y200 HydrophobicContact CE1-CD1 3.53Å; Y69-Y200 AromaticContact CE1-CE1 3.85Å; Y69-Y200 HydrophobicContact CE1-CE1 3.85Å; Y69-Y200 HydrophobicContact CE1-CG 4.03Å; S189-Y200 CarbonylContact C-O 3.53Å; S189-Y200 VanDerWaalsContact CA-O 3.26Å; S189-Y200 WeakPolarHBondContact CA-O 3.45Å; L190-Y200 PolarHBondContact N-O 2.82Å; L190-Y200 PolarHBondContact O-N 2.88Å; S192-Y200 WeakPolarHBondContact OG-CD2 3.42Å; S192-Y200 WeakPolarHBondContact OG-CE2 3.41Å; H194-Y200 WeakPolarHBondContact CB-OH 3.41Å; T195-Y200 HydrophobicContact CG2-CD1 3.58Å; T195-Y200 HydrophobicContact CG2-CE1 3.33Å; Y200-F202 HydrophobicContact CG-CZ 4.42Å
201	K	92.3	Very high	89.7	Confident	88 Å²	88	69.7 Å²	69.7	38%	0.383	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.4	-179.5	-70.3	167.7	176.5	159.7	0	109.4	E187 E197	E187-K201 HydrophobicContact CG-CB 4.35Å; E187-K201 WeakPolarHBondContact OE2-CD 3.29Å; E197-K201 IonicContact OE2-NZ 2.66Å; E197-K201 PolarHBondContact OE2-NZ 2.97Å
202	F	94.8	Very high	90.3	Very high	4 Å²	4	70.6 Å²	70.6	2%	0.018	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.6	179.4	-56.1	-80.5	0	0	0	108.8	Y69 F167 E187 W188 L190 Y200 F206	Y69-F202 HydrophobicContact CD1-CE1 4.29Å; Y69-F202 HydrophobicContact CD1-CZ 4.35Å; Y69-F202 HydrophobicContact CD2-CE1 4.48Å; Y69-F202 AromaticContact CE1-CE1 3.74Å; Y69-F202 HydrophobicContact CE1-CE1 3.74Å; Y69-F202 AromaticContact CE1-CZ 3.89Å; Y69-F202 HydrophobicContact CE1-CZ 3.89Å; Y69-F202 AromaticContact CE2-CE1 3.95Å; Y69-F202 HydrophobicContact CE2-CE1 3.95Å; Y69-F202 AromaticContact CZ-CE1 3.54Å; F167-F202 HydrophobicContact CD1-CD1 4.34Å; F167-F202 AromaticContact CD1-CE1 3.74Å; F167-F202 HydrophobicContact CD1-CE1 3.74Å; F167-F202 HydrophobicContact CD1-CE2 4.45Å; F167-F202 AromaticContact CD1-CZ 3.81Å; F167-F202 HydrophobicContact CD1-CZ 3.81Å; F167-F202 HydrophobicContact CE1-CD1 4.49Å; F167-F202 AromaticContact CE1-CE1 3.49Å; F167-F202 HydrophobicContact CE1-CE1 3.49Å; F167-F202 VanDerWaalsContact CE1-CE1 3.49Å; F167-F202 HydrophobicContact CE1-CE2 4.38Å; F167-F202 AromaticContact CE1-CZ 3.43Å; F167-F202 HydrophobicContact CE1-CZ 3.43Å; F167-F202 VanDerWaalsContact CE1-CZ 3.43Å; F167-F202 HydrophobicContact CZ-CE1 4.18Å; F167-F202 HydrophobicContact CZ-CZ 4.38Å; E187-F202 CarbonylContact C-O 3.51Å; E187-F202 WeakPolarHBondContact CA-O 3.3Å; W188-F202 HydrophobicContact CE3-CD2 4.2Å; W188-F202 PolarHBondContact N-O 2.82Å; W188-F202 PolarHBondContact O-N 3Å; L190-F202 HydrophobicContact CD1-CE2 4.01Å; L190-F202 HydrophobicContact CG-CE2 4.41Å; Y200-F202 HydrophobicContact CG-CZ 4.42Å; F202-F206 HydrophobicContact CB-CD1 4.1Å; F202-F206 AromaticContact CD1-CD1 3.79Å; F202-F206 HydrophobicContact CD1-CD1 3.79Å; F202-F206 AromaticContact CD1-CE1 3.61Å; F202-F206 HydrophobicContact CD1-CE1 3.61Å; F202-F206 HydrophobicContact CD1-CZ 4.3Å; F202-F206 HydrophobicContact CE1-CE1 4.22Å; F202-F206 HydrophobicContact CG-CD1 4.37Å; F202-F206 HydrophobicContact CG-CE1 4.47Å
203	S	95.8	Very high	91	Very high	49 Å²	49	71.1 Å²	71.1	34%	0.343	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	156.7	173.7	66.9	0	0	0	0	110.7	D205 F206 L207	S203-D205 PolarHBondContact O-N 2.81Å; S203-F206 WeakPolarHBondContact O-CB 3.24Å; S203-F206 PolarHBondContact O-N 3.14Å; S203-F206 WeakPolarHBondContact OG-CB 3.48Å; S203-F206 PolarHBondContact OG-N 3.04Å; S203-L207 PolarHBondContact O-N 2.98Å
204	M	95.6	Very high	91.9	Very high	9 Å²	9	64.1 Å²	64.1	4%	0.044	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-31.6	172.8	-68	-62	133.3	0	0	112.2	F171 L182 E183 G186 W188 L207 R208	F171-M204 HydrophobicContact CE2-CE 3.91Å; F171-M204 HydrophobicContact CE2-SD 4.3Å; F171-M204 HydrophobicContact CZ-CE 4.1Å; F171-M204 HydrophobicContact CZ-SD 3.91Å; L182-M204 HydrophobicContact CB-CE 3.92Å; L182-M204 WeakPolarHBondContact O-CE 3.38Å; E183-M204 HydrophobicContact CB-SD 4.39Å; E183-M204 HydrophobicContact CG-SD 3.86Å; G186-M204 PolarHBondContact O-N 3.04Å; G186-M204 VanDerWaalsContact O-N 3.08Å; W188-M204 HydrophobicContact CB-CE 3.99Å; M204-L207 HydrophobicContact CE-CD1 4.06Å; M204-L207 PolarHBondContact O-N 2.62Å; M204-L207 HydrophobicContact SD-CD1 4.04Å; M204-R208 VanDerWaalsContact O-CG 3.31Å; M204-R208 WeakPolarHBondContact O-CG 3.43Å; M204-R208 PolarHBondContact O-N 3.16Å
205	D	95.5	Very high	93.1	Very high	109 Å²	109	61 Å²	61	58%	0.583	31%	0.306	S	S	*	.	H	α-helix	trans	-69.1	-35.9	176.9	-67.1	-18.4	0	0	0	111.8	S203 L207 R208 E209	S203-D205 PolarHBondContact O-N 2.81Å; D205-L207 VanDerWaalsContact C-N 3.35Å; D205-L207 PolarHBondContact O-N 2.93Å; D205-R208 IonicContact OD1-NH1 3.18Å; D205-R208 PolarHBondContact OD1-NH1 2.88Å; D205-E209 VanDerWaalsContact O-CB 3.25Å; D205-E209 WeakPolarHBondContact O-CB 3.42Å; D205-E209 PolarHBondContact O-N 2.73Å
206	F	96.9	Very high	94	Very high	10 Å²	10	59.4 Å²	59.4	4%	0.044	30%	0.296	C	S	.	.	H	α-helix	trans	-58.3	-47	170.1	171.7	-93.9	0	0	0	111.4	G110 V112 W115 F167 F202 S203 E209 A210	G110-F206 WeakPolarHBondContact O-CD2 3.43Å; V112-F206 HydrophobicContact CG2-CE2 4.14Å; V112-F206 HydrophobicContact CG2-CZ 4.1Å; W115-F206 HydrophobicContact CH2-CD2 4.49Å; W115-F206 AromaticContact CH2-CE2 3.73Å; W115-F206 HydrophobicContact CH2-CE2 3.73Å; W115-F206 HydrophobicContact CH2-CZ 4.49Å; W115-F206 AromaticContact CZ3-CE2 3.61Å; W115-F206 HydrophobicContact CZ3-CE2 3.61Å; W115-F206 HydrophobicContact CZ3-CZ 4.18Å; F167-F206 HydrophobicContact CB-CE1 4.07Å; F167-F206 HydrophobicContact CD2-CE1 4.23Å; F167-F206 HydrophobicContact CD2-CZ 4.09Å; F167-F206 HydrophobicContact CE2-CZ 4.5Å; F167-F206 HydrophobicContact CG-CE1 4.03Å; F167-F206 HydrophobicContact CG-CZ 4.35Å; F202-F206 HydrophobicContact CB-CD1 4.1Å; F202-F206 AromaticContact CD1-CD1 3.79Å; F202-F206 HydrophobicContact CD1-CD1 3.79Å; F202-F206 AromaticContact CD1-CE1 3.61Å; F202-F206 HydrophobicContact CD1-CE1 3.61Å; F202-F206 HydrophobicContact CD1-CZ 4.3Å; F202-F206 HydrophobicContact CE1-CE1 4.22Å; F202-F206 HydrophobicContact CG-CD1 4.37Å; F202-F206 HydrophobicContact CG-CE1 4.47Å; S203-F206 WeakPolarHBondContact O-CB 3.24Å; S203-F206 PolarHBondContact O-N 3.14Å; S203-F206 WeakPolarHBondContact OG-CB 3.48Å; S203-F206 PolarHBondContact OG-N 3.04Å; F206-E209 PolarHBondContact O-N 3.35Å; F206-A210 VanDerWaalsContact O-CB 3.24Å; F206-A210 WeakPolarHBondContact O-CB 3.25Å; F206-A210 PolarHBondContact O-N 2.88Å
207	L	97.3	Very high	94.8	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-46.3	-178.7	-67.7	170.9	0	0	0	111.9	F167 F171 W188 S203 M204 D205 E209 A210 E211	F167-L207 HydrophobicContact CB-CD2 4.38Å; F171-L207 HydrophobicContact CB-CD1 4.25Å; F171-L207 HydrophobicContact CB-CD2 4.19Å; F171-L207 HydrophobicContact CD1-CD1 4.07Å; F171-L207 HydrophobicContact CD2-CD1 3.59Å; F171-L207 HydrophobicContact CE1-CD1 4.31Å; F171-L207 HydrophobicContact CE2-CD1 3.86Å; F171-L207 HydrophobicContact CG-CD1 3.69Å; F171-L207 HydrophobicContact CZ-CD1 4.22Å; W188-L207 HydrophobicContact CB-CD1 4.36Å; W188-L207 HydrophobicContact CE3-CD1 4.19Å; W188-L207 HydrophobicContact CE3-CD2 4.1Å; W188-L207 HydrophobicContact CZ3-CD2 4.29Å; S203-L207 PolarHBondContact O-N 2.98Å; M204-L207 HydrophobicContact CE-CD1 4.06Å; M204-L207 PolarHBondContact O-N 2.62Å; M204-L207 HydrophobicContact SD-CD1 4.04Å; D205-L207 VanDerWaalsContact C-N 3.35Å; D205-L207 PolarHBondContact O-N 2.93Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.49Å; L207-A210 PolarHBondContact O-N 3.12Å; L207-E211 PolarHBondContact O-N 2.89Å; L207-E211 VanDerWaalsContact O-N 3.14Å
208	R	96.9	Very high	95.5	Very high	137 Å²	137	54.5 Å²	54.5	52%	0.517	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-37.8	175.5	-68.7	170.8	-170.2	139.6	0.4	112.3	M204 D205 N212	M204-R208 VanDerWaalsContact O-CG 3.31Å; M204-R208 WeakPolarHBondContact O-CG 3.43Å; M204-R208 PolarHBondContact O-N 3.16Å; D205-R208 IonicContact OD1-NH1 3.18Å; D205-R208 PolarHBondContact OD1-NH1 2.88Å; R208-N212 PolarHBondContact O-ND2 3.19Å; R208-N212 VanDerWaalsContact O-ND2 3.09Å
209	E	98.1	Very high	96.1	Very high	46 Å²	46	57.2 Å²	57.2	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-67.8	-44.8	176.6	-163.7	-81.5	169.3	0	0	110.9	T111 V112 G113 D205 F206 L207 E211 N212 H213	T111-E209 VanDerWaalsContact CB-CD 3.49Å; T111-E209 VanDerWaalsContact CB-OE2 3.23Å; T111-E209 WeakPolarHBondContact CB-OE2 3.49Å; T111-E209 HydrophobicContact CG2-CB 4.4Å; T111-E209 HydrophobicContact CG2-CG 4.14Å; T111-E209 VanDerWaalsContact OG1-CD 3.3Å; T111-E209 PolarHBondContact OG1-OE1 3.13Å; T111-E209 PolarHBondContact OG1-OE2 3.24Å; V112-E209 PolarHBondContact N-OE2 3.37Å; V112-E209 VanDerWaalsContact N-OE2 3.11Å; G113-E209 WeakPolarHBondContact CA-OE1 3.49Å; G113-E209 PolarHBondContact N-OE1 3.27Å; G113-E209 VanDerWaalsContact N-OE1 3.09Å; G113-E209 PolarHBondContact N-OE2 2.86Å; G113-E209 VanDerWaalsContact N-OE2 3.12Å; D205-E209 VanDerWaalsContact O-CB 3.25Å; D205-E209 WeakPolarHBondContact O-CB 3.42Å; D205-E209 PolarHBondContact O-N 2.73Å; F206-E209 PolarHBondContact O-N 3.35Å; L207-E209 VanDerWaalsContact C-N 3.32Å; L207-E209 PolarHBondContact O-N 3.49Å; E209-E211 PolarHBondContact O-N 3.29Å; E209-N212 WeakPolarHBondContact O-CB 3.48Å; E209-N212 PolarHBondContact O-N 3.45Å; E209-N212 VanDerWaalsContact O-N 3.08Å; E209-N212 PolarHBondContact O-ND2 3.3Å; E209-H213 VanDerWaalsContact CD-NE2 3.29Å; E209-H213 PolarHBondContact O-CD2 3.09Å; E209-H213 VanDerWaalsContact O-CD2 3.27Å; E209-H213 IonicContact OE1-CD2 3.48Å; E209-H213 IonicContact OE1-CE1 3.49Å; E209-H213 IonicContact OE1-NE2 3.45Å; E209-H213 PolarHBondContact OE1-NE2 3.49Å; E209-H213 IonicContact OE2-CD2 3.46Å; E209-H213 PolarHBondContact OE2-CD2 3.35Å; E209-H213 IonicContact OE2-NE2 3.59Å; E209-H213 PolarHBondContact OE2-NE2 2.88Å
210	A	98.2	Very high	96.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-31.1	-179.9	0	0	0	0	0	113	V112 W141 V168 F206 L207 N212 H213	V112-A210 HydrophobicContact CB-CB 4.47Å; V112-A210 HydrophobicContact CG2-CB 3.74Å; W141-A210 HydrophobicContact CH2-CB 4.05Å; V168-A210 HydrophobicContact CG2-CB 3.7Å; F206-A210 VanDerWaalsContact O-CB 3.24Å; F206-A210 WeakPolarHBondContact O-CB 3.25Å; F206-A210 PolarHBondContact O-N 2.88Å; L207-A210 PolarHBondContact O-N 3.12Å; A210-N212 PolarHBondContact O-N 3.09Å; A210-H213 PolarHBondContact O-N 2.89Å
211	E	97.8	Very high	96.9	Very high	95 Å²	95	55.3 Å²	55.3	44%	0.444	29%	0.29	S	S	.	.	H	α-helix	trans	-55.9	-33.1	174.4	-77.4	179.3	174.1	0	0	113	V168 L207 E209 H213 C214	V168-E211 HydrophobicContact CB-CG 4.45Å; V168-E211 HydrophobicContact CG1-CG 3.59Å; V168-E211 HydrophobicContact CG2-CG 3.97Å; L207-E211 PolarHBondContact O-N 2.89Å; L207-E211 VanDerWaalsContact O-N 3.14Å; E209-E211 PolarHBondContact O-N 3.29Å; E211-H213 PolarHBondContact O-N 3.27Å; E211-C214 PolarHBondContact O-N 2.74Å
212	N	98.2	Very high	97.3	Very high	129 Å²	129	51.3 Å²	51.3	69%	0.69	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-7.9	179.2	-56.4	-72	0	0	0	113.5	R208 E209 A210	R208-N212 PolarHBondContact O-ND2 3.19Å; R208-N212 VanDerWaalsContact O-ND2 3.09Å; E209-N212 WeakPolarHBondContact O-CB 3.48Å; E209-N212 PolarHBondContact O-N 3.45Å; E209-N212 VanDerWaalsContact O-N 3.08Å; E209-N212 PolarHBondContact O-ND2 3.3Å; A210-N212 PolarHBondContact O-N 3.09Å
213	H	98.4	Very high	97.4	Very high	24 Å²	24	56 Å²	56	11%	0.111	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	8.7	-178.2	-54.7	-78.9	0	0	0	112.6	V112 G113 W141 L145 E209 A210 E211 V215	V112-H213 HydrophobicContact CB-CB 4.44Å; V112-H213 HydrophobicContact CG1-CB 3.69Å; G113-H213 VanDerWaalsContact CA-CE1 3.42Å; G113-H213 WeakPolarHBondContact CA-CE1 3.45Å; G113-H213 VanDerWaalsContact CA-NE2 3.33Å; G113-H213 WeakPolarHBondContact CA-NE2 3.33Å; G113-H213 PolarHBondContact N-NE2 3.22Å; W141-H213 HydrophobicContact CZ2-CB 4.07Å; W141-H213 WeakPolarHBondContact CZ2-O 3.29Å; W141-H213 PolarHBondContact NE1-O 3.07Å; L145-H213 HydrophobicContact CD1-CB 3.9Å; L145-H213 HydrophobicContact CD2-CB 4.27Å; E209-H213 VanDerWaalsContact CD-NE2 3.29Å; E209-H213 PolarHBondContact O-CD2 3.09Å; E209-H213 VanDerWaalsContact O-CD2 3.27Å; E209-H213 IonicContact OE1-CD2 3.48Å; E209-H213 IonicContact OE1-CE1 3.49Å; E209-H213 IonicContact OE1-NE2 3.45Å; E209-H213 PolarHBondContact OE1-NE2 3.49Å; E209-H213 IonicContact OE2-CD2 3.46Å; E209-H213 PolarHBondContact OE2-CD2 3.35Å; E209-H213 IonicContact OE2-NE2 3.59Å; E209-H213 PolarHBondContact OE2-NE2 2.88Å; A210-H213 PolarHBondContact O-N 2.89Å; E211-H213 PolarHBondContact O-N 3.27Å; H213-V215 PolarHBondContact O-N 3.02Å
214	C	98.6	Very high	97.6	Very high	29 Å²	29	54.6 Å²	54.6	20%	0.196	29%	0.292	C	S	.	.			trans	-63.7	133.7	176.5	-73.8	0	0	0	0	111.3	D165 E211	D165-C214 HydrophobicContact CB-CB 4.39Å; D165-C214 VanDerWaalsContact CG-CA 3.45Å; D165-C214 WeakPolarHBondContact OD1-CA 3.31Å; D165-C214 WeakPolarHBondContact OD2-CA 3.16Å; D165-C214 VanDerWaalsContact OD2-CB 3.29Å; D165-C214 WeakPolarHBondContact OD2-CB 3.43Å; E211-C214 PolarHBondContact O-N 2.74Å
215	V	98.2	Very high	97.7	Very high	10 Å²	10	55.1 Å²	55.1	6%	0.061	30%	0.296	C	S	.	.			trans	-117.4	-10.1	-176	-62.1	0	0	0	0	113.6	L144 L145 I148 A164 D165 H213 Q217 I220	L144-V215 HydrophobicContact CD1-CG2 4.06Å; L145-V215 HydrophobicContact CD2-CG1 3.62Å; L145-V215 HydrophobicContact CG-CG1 4.39Å; I148-V215 HydrophobicContact CD1-CG1 4.1Å; A164-V215 HydrophobicContact CB-CG2 4.25Å; D165-V215 VanDerWaalsContact CG-N 3.27Å; D165-V215 WeakPolarHBondContact OD1-CG2 3.46Å; D165-V215 PolarHBondContact OD1-N 3.16Å; D165-V215 PolarHBondContact OD2-N 3.15Å; H213-V215 PolarHBondContact O-N 3.02Å; V215-Q217 VanDerWaalsContact C-N 3.32Å; V215-Q217 PolarHBondContact O-N 3.08Å; V215-I220 HydrophobicContact CB-CD1 4.35Å; V215-I220 HydrophobicContact CB-CG1 4.31Å; V215-I220 HydrophobicContact CG2-CD1 4.18Å; V215-I220 WeakPolarHBondContact O-CG1 3.43Å
216	L	98	Very high	97.9	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.068	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	6.4	-175.8	-58.1	179.7	0	0	0	113.6	A164 D165 I220 I241 Q244 V245 R248	A164-L216 HydrophobicContact CB-CD1 4.09Å; A164-L216 HydrophobicContact CB-CD2 4.22Å; A164-L216 HydrophobicContact CB-CG 4.19Å; A164-L216 WeakPolarHBondContact O-CD1 3.31Å; D165-L216 HydrophobicContact CB-CD1 4.1Å; D165-L216 HydrophobicContact CB-CG 4.31Å; D165-L216 VanDerWaalsContact OD2-CB 3.26Å; D165-L216 WeakPolarHBondContact OD2-CB 3.18Å; D165-L216 WeakPolarHBondContact OD2-CG 3.33Å; D165-L216 PolarHBondContact OD2-N 3.46Å; L216-I220 HydrophobicContact CD2-CD1 4.26Å; L216-I241 HydrophobicContact CD1-CG2 4.3Å; L216-Q244 HydrophobicContact CD1-CB 4.4Å; L216-Q244 HydrophobicContact CD2-CB 4.29Å; L216-V245 HydrophobicContact CD2-CG2 3.8Å; L216-R248 PolarHBondContact O-NE 3.27Å; L216-R248 PolarHBondContact O-NH2 3Å
217	Q	95.3	Very high	98	Very high	172 Å²	172	50.6 Å²	50.6	80%	0.804	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-10.7	178.1	-62.2	-171.7	1.3	0	0	113.6	V215	V215-Q217 VanDerWaalsContact C-N 3.32Å; V215-Q217 PolarHBondContact O-N 3.08Å
218	S	94.8	Very high	98.1	Very high	68 Å²	68	50.3 Å²	50.3	48%	0.476	27%	0.269	S	S	.	.	S	Bend	trans	-146.5	169.7	-177.3	58.1	0	0	0	0	111.1	I220	S218-I220 PolarHBondContact O-N 3.18Å
219	P	98.3	Very high	98.1	Very high	88 Å²	88	44 Å²	44	57%	0.571	25%	0.245	S	C	*	.			trans	-57.3	135.3	169.9	-23.6	34.4	0	0	0	111.2	P221 R248 L250	P219-P221 WeakPolarHBondContact O-CD 3.29Å; P219-R248 CarbonylContact C-O 3.58Å; P219-R248 WeakPolarHBondContact CA-O 3.36Å; P219-L250 HydrophobicContact CB-CD2 3.91Å
220	I	98.7	Very high	98.2	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-92.1	112.4	-178.8	-60.9	170.4	0	0	0	107.9	I148 V215 L216 S218 I222 R248 V249 L250	I148-I220 HydrophobicContact CD1-CG2 4.11Å; I148-I220 HydrophobicContact CG1-CG2 4.31Å; V215-I220 HydrophobicContact CB-CD1 4.35Å; V215-I220 HydrophobicContact CB-CG1 4.31Å; V215-I220 HydrophobicContact CG2-CD1 4.18Å; V215-I220 WeakPolarHBondContact O-CG1 3.43Å; L216-I220 HydrophobicContact CD2-CD1 4.26Å; S218-I220 PolarHBondContact O-N 3.18Å; I220-I222 HydrophobicContact CG2-CB 4.33Å; I220-I222 HydrophobicContact CG2-CD1 3.42Å; I220-I222 VanDerWaalsContact CG2-CD1 3.42Å; I220-I222 HydrophobicContact CG2-CG1 3.78Å; I220-I222 PolarHBondContact O-N 2.83Å; I220-R248 HydrophobicContact CB-CB 4.5Å; I220-R248 HydrophobicContact CD1-CB 3.84Å; I220-R248 HydrophobicContact CG1-CB 3.89Å; I220-R248 PolarHBondContact N-O 3.3Å; I220-V249 HydrophobicContact CB-CG1 3.88Å; I220-V249 HydrophobicContact CD1-CG1 4.39Å; I220-V249 HydrophobicContact CG2-CG1 3.74Å; I220-V249 WeakPolarHBondContact O-CA 3.37Å; I220-L250 PolarHBondContact O-N 3Å
221	P	98.4	Very high	98.2	Very high	74 Å²	74	41.8 Å²	41.8	48%	0.481	24%	0.235	S	C	.	.			trans	-78.6	56.1	-170.5	34.6	-38.7	0	0	0	112.8	I148 P219 L250	I148-P221 HydrophobicContact CG1-CG 4.16Å; I148-P221 HydrophobicContact CG2-CG 4.1Å; P219-P221 WeakPolarHBondContact O-CD 3.29Å; P221-L250 HydrophobicContact CB-CD1 4.36Å
222	I	98.8	Very high	98.2	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.026	23%	0.232	C	C	.	.			trans	-113.2	124.9	176.5	-64.5	167.7	0	0	0	107.4	L144 A147 I148 L157 I220 V226 V249 L250 S251	L144-I222 HydrophobicContact CB-CD1 4.28Å; L144-I222 HydrophobicContact CD2-CD1 3.64Å; A147-I222 HydrophobicContact CB-CD1 3.71Å; A147-I222 HydrophobicContact CB-CG1 3.9Å; I148-I222 HydrophobicContact CG1-CD1 4.2Å; I148-I222 HydrophobicContact CG1-CG1 4.06Å; L157-I222 HydrophobicContact CD1-CD1 3.83Å; L157-I222 HydrophobicContact CD1-CG2 3.8Å; I220-I222 HydrophobicContact CG2-CB 4.33Å; I220-I222 HydrophobicContact CG2-CD1 3.42Å; I220-I222 VanDerWaalsContact CG2-CD1 3.42Å; I220-I222 HydrophobicContact CG2-CG1 3.78Å; I220-I222 PolarHBondContact O-N 2.83Å; I222-V226 HydrophobicContact CG2-CG2 4.23Å; I222-V249 HydrophobicContact CB-CG1 4.06Å; I222-V249 HydrophobicContact CD1-CG1 4.24Å; I222-L250 CarbonylContact O-C 3.58Å; I222-L250 PolarHBondContact O-N 2.77Å; I222-S251 WeakPolarHBondContact O-CB 3.18Å; I222-S251 PolarHBondContact O-N 3.48Å
223	T	98.5	Very high	98.2	Very high	102 Å²	102	40 Å²	40	63%	0.626	22%	0.222	S	C	*	.			trans	-115.5	-7	-175.9	52.9	0	0	0	0	113.8	L250 S251	T223-L250 HydrophobicContact CG2-CB 4.38Å; T223-S251 PolarHBondContact O-OG 3.01Å
224	C	98.6	Very high	98.1	Very high	20 Å²	20	39.7 Å²	39.7	14%	0.135	22%	0.222	C	C	.	.	S	Bend	trans	-75.8	165.3	175.2	65.6	0	0	0	0	111.7	A155 V226 S251	A155-C224 WeakPolarHBondContact O-CB 3.18Å; C224-V226 WeakPolarHBondContact O-CG2 3.41Å; C224-S251 WeakPolarHBondContact O-CB 3.39Å; C224-S251 PolarHBondContact O-OG 3.44Å
225	P	98.8	Very high	97.9	Very high	19 Å²	19	46 Å²	46	12%	0.123	25%	0.248	C	C	.	.			trans	-57.7	138.5	176.7	-27.1	36.8	0	0	0	112.9	A155 A156 L157 D253 L282 L286	A155-P225 WeakPolarHBondContact O-CD 3.47Å; A156-P225 CarbonylContact C-O 3.34Å; A156-P225 VanDerWaalsContact CA-O 3.31Å; A156-P225 WeakPolarHBondContact CA-O 3.34Å; A156-P225 HydrophobicContact CB-CB 4.12Å; A156-P225 WeakPolarHBondContact CB-O 3.23Å; L157-P225 PolarHBondContact N-O 3.31Å; P225-D253 WeakPolarHBondContact CA-O 3.29Å; P225-D253 HydrophobicContact CB-CB 4.49Å; P225-D253 VanDerWaalsContact CB-OD2 3.29Å; P225-D253 WeakPolarHBondContact CB-OD2 3.5Å; P225-D253 VanDerWaalsContact CG-OD2 3.31Å; P225-D253 WeakPolarHBondContact CG-OD2 3.25Å; P225-L282 HydrophobicContact CB-CD2 3.89Å; P225-L286 HydrophobicContact CG-CD2 4.31Å
226	V	98.9	Very high	97.7	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.1	179.4	-174.5	0	0	0	0	110.5	L157 I222 C224 L228 D253 V254 D255	L157-V226 HydrophobicContact CB-CB 4.45Å; L157-V226 HydrophobicContact CB-CG1 4.15Å; L157-V226 HydrophobicContact CB-CG2 4.2Å; L157-V226 HydrophobicContact CD1-CG2 4.21Å; L157-V226 HydrophobicContact CG-CG2 4.43Å; L157-V226 CarbonylContact O-C 3.55Å; L157-V226 WeakPolarHBondContact O-CA 3.31Å; I222-V226 HydrophobicContact CG2-CG2 4.23Å; C224-V226 WeakPolarHBondContact O-CG2 3.41Å; V226-L228 HydrophobicContact CG1-CD1 4.47Å; V226-L228 HydrophobicContact CG1-CD2 3.91Å; V226-L228 HydrophobicContact CG1-CG 3.96Å; V226-D253 PolarHBondContact N-O 3.47Å; V226-V254 HydrophobicContact CB-CG1 4.23Å; V226-V254 HydrophobicContact CB-CG2 4.2Å; V226-V254 HydrophobicContact CG1-CG1 4.49Å; V226-V254 HydrophobicContact CG2-CG2 4.46Å; V226-V254 WeakPolarHBondContact O-CA 3.17Å; V226-D255 PolarHBondContact O-N 2.81Å
227	R	98.9	Very high	97.6	Very high	24 Å²	24	48.6 Å²	48.6	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	125.5	173.1	-56.9	-62.9	177.8	-98.7	21.4	109.2	L157 V158 G159 D253 D255 T278 L282	L157-R227 PolarHBondContact O-N 3.43Å; V158-R227 CarbonylContact C-O 3.51Å; V158-R227 VanDerWaalsContact CA-O 3.3Å; V158-R227 WeakPolarHBondContact CA-O 3.13Å; V158-R227 HydrophobicContact CG2-CB 4.39Å; G159-R227 PolarHBondContact N-O 3.24Å; R227-D253 IonicContact CZ-OD1 3.15Å; R227-D253 VanDerWaalsContact CZ-OD1 3.32Å; R227-D253 PolarHBondContact NH1-O 3.47Å; R227-D253 VanDerWaalsContact NH1-O 3.14Å; R227-D253 IonicContact NH1-OD1 2.74Å; R227-D253 PolarHBondContact NH1-OD1 2.94Å; R227-D253 IonicContact NH1-OD2 3.35Å; R227-D253 IonicContact NH2-OD1 2.75Å; R227-D253 PolarHBondContact NH2-OD1 2.83Å; R227-D253 IonicContact NH2-OD2 2.86Å; R227-D255 WeakPolarHBondContact CA-O 3.39Å; R227-D255 IonicContact CZ-OD2 3.33Å; R227-D255 IonicContact NE-OD2 3.09Å; R227-D255 PolarHBondContact NE-OD2 2.95Å; R227-D255 IonicContact NH1-OD2 2.64Å; R227-D255 IonicContact NH2-OD2 2.84Å; R227-D255 PolarHBondContact NH2-OD2 2.85Å; R227-T278 HydrophobicContact CB-CG2 3.6Å; R227-T278 HydrophobicContact CG-CG2 3.76Å; R227-L282 HydrophobicContact CB-CD1 4.47Å; R227-L282 HydrophobicContact CG-CD1 3.69Å; R227-L282 HydrophobicContact CG-CD2 4.19Å; R227-L282 HydrophobicContact CG-CG 4.06Å
228	L	98.9	Very high	97.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	109.3	-177.1	-59.9	175.9	0	0	0	110.3	V226 S242 V245 A246 D255 I256 I257	V226-L228 HydrophobicContact CG1-CD1 4.47Å; V226-L228 HydrophobicContact CG1-CD2 3.91Å; V226-L228 HydrophobicContact CG1-CG 3.96Å; L228-S242 WeakPolarHBondContact CD1-O 3.32Å; L228-V245 HydrophobicContact CD1-CB 3.96Å; L228-V245 HydrophobicContact CD1-CG1 3.83Å; L228-V245 HydrophobicContact CD2-CG1 4.42Å; L228-A246 HydrophobicContact CD1-CB 4.06Å; L228-D255 PolarHBondContact N-O 3.34Å; L228-I256 CarbonylContact O-C 3.55Å; L228-I256 WeakPolarHBondContact O-CA 3.41Å; L228-I257 PolarHBondContact O-N 3.45Å
229	I	98.8	Very high	97.8	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.8	178.8	-55.4	166.9	0	0	0	108.7	V158 G159 I160 A161 I257 M266 L274 M275 T278	V158-I229 HydrophobicContact CG1-CD1 4.26Å; G159-I229 PolarHBondContact O-N 2.89Å; I160-I229 WeakPolarHBondContact CA-O 3.29Å; A161-I229 PolarHBondContact N-O 3.38Å; I229-I257 WeakPolarHBondContact CA-O 3.49Å; I229-I257 HydrophobicContact CG1-CB 4.27Å; I229-I257 HydrophobicContact CG1-CD1 4.03Å; I229-M266 HydrophobicContact CG2-CE 3.82Å; I229-L274 HydrophobicContact CD1-CG 4.34Å; I229-L274 HydrophobicContact CG2-CD2 3.79Å; I229-M275 HydrophobicContact CD1-CB 4.47Å; I229-T278 HydrophobicContact CD1-CG2 4.34Å
230	H	98.8	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	143.2	179.6	-138	122.9	0	0	0	112.5	D234 V237 W239 S242 I257 L258 R259	H230-D234 IonicContact CD2-OD2 3.88Å; H230-D234 IonicContact NE2-OD2 3.69Å; H230-D234 PolarHBondContact NE2-OD2 3.17Å; H230-V237 PolarHBondContact NE2-O 3.26Å; H230-W239 HydrophobicContact CB-CB 4.11Å; H230-W239 VanDerWaalsContact CD2-CA 3.5Å; H230-W239 WeakPolarHBondContact CD2-CA 3.24Å; H230-W239 WeakPolarHBondContact NE2-CA 3.46Å; H230-S242 PolarHBondContact ND1-OG 3.35Å; H230-I257 PolarHBondContact N-O 2.79Å; H230-L258 HydrophobicContact CB-CD2 3.95Å; H230-L258 CarbonylContact O-C 3.57Å; H230-L258 WeakPolarHBondContact O-CA 3.22Å; H230-R259 PolarHBondContact O-N 3.18Å
231	G	98.5	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.6	172.2	0	0	0	0	0	112.7	K233 D234 G262	G231-K233 PolarHBondContact O-N 2.92Å; G231-D234 WeakPolarHBondContact O-CB 3.5Å; G231-D234 PolarHBondContact O-N 2.9Å; G231-G262 CarbonylContact C-O 3.49Å; G231-G262 VanDerWaalsContact CA-C 3.49Å; G231-G262 WeakPolarHBondContact CA-O 3.41Å
232	L	98.2	Very high	97.8	Very high	73 Å²	73	40.2 Å²	40.2	38%	0.382	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-13.1	175.4	-67.6	-171.3	0	0	0	113.7	W239 L258 R259 G262	L232-W239 HydrophobicContact CD2-CB 4.39Å; L232-W239 HydrophobicContact CD2-CD2 3.63Å; L232-W239 HydrophobicContact CD2-CE3 4.13Å; L232-W239 HydrophobicContact CD2-CG 3.71Å; L232-W239 HydrophobicContact CD2-CZ2 4.43Å; L232-L258 HydrophobicContact CD2-CB 4.04Å; L232-L258 HydrophobicContact CD2-CD1 4.14Å; L232-L258 HydrophobicContact CD2-CD2 4.25Å; L232-L258 HydrophobicContact CD2-CG 4.36Å; L232-L258 HydrophobicContact CG-CB 4.3Å; L232-R259 PolarHBondContact N-O 2.77Å; L232-G262 PolarHBondContact N-O 2.92Å
233	K	97.5	Very high	97.8	Very high	114 Å²	114	43.1 Å²	43.1	50%	0.496	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	25.9	174.3	-60.8	-176.7	174.7	173.3	0	111.3	G231 E235 N261 G262 Q263	G231-K233 PolarHBondContact O-N 2.92Å; K233-E235 PolarHBondContact O-N 2.83Å; K233-N261 WeakPolarHBondContact CE-OD1 3.44Å; K233-N261 PolarHBondContact NZ-OD1 3.03Å; K233-G262 CarbonylContact C-O 3.58Å; K233-G262 WeakPolarHBondContact CA-O 3.29Å; K233-G262 WeakPolarHBondContact CB-O 3.35Å; K233-G262 PolarHBondContact N-O 3.27Å; K233-Q263 HydrophobicContact CB-CG 4.46Å
234	D	96.9	Very high	97.8	Very high	18 Å²	18	41.7 Å²	41.7	10%	0.096	20%	0.204	C	C	.	.			trans	-69.2	112.7	169.5	-165.6	-25.9	0	0	0	108.8	A161 H230 G231 D236 V237 H264	A161-D234 WeakPolarHBondContact CB-OD2 3.42Å; H230-D234 IonicContact CD2-OD2 3.88Å; H230-D234 IonicContact NE2-OD2 3.69Å; H230-D234 PolarHBondContact NE2-OD2 3.17Å; G231-D234 WeakPolarHBondContact O-CB 3.5Å; G231-D234 PolarHBondContact O-N 2.9Å; D234-D236 PolarHBondContact OD1-N 3.35Å; D234-V237 VanDerWaalsContact CB-O 3.29Å; D234-V237 WeakPolarHBondContact CB-O 3.37Å; D234-V237 PolarHBondContact OD1-N 2.82Å; D234-H264 WeakPolarHBondContact OD1-CB 3.29Å; D234-H264 IonicContact OD1-CG 2.75Å; D234-H264 IonicContact OD1-ND1 3.1Å; D234-H264 PolarHBondContact OD1-ND1 3.06Å; D234-H264 VanDerWaalsContact OD2-CA 3.24Å; D234-H264 WeakPolarHBondContact OD2-CA 3.37Å; D234-H264 IonicContact OD2-CE1 3.61Å; D234-H264 IonicContact OD2-CG 2.86Å; D234-H264 IonicContact OD2-ND1 2.63Å; D234-H264 PolarHBondContact OD2-ND1 2.92Å
235	E	94.1	Very high	97.8	Very high	160 Å²	160	40.8 Å²	40.8	75%	0.748	20%	0.198	S	C	*	.	S	Bend	trans	-91.1	-12.4	178.3	-66	-179.2	166.1	0	0	111.9	K193 K233	K193-E235 IonicContact NZ-OE2 3.76Å; K193-E235 PolarHBondContact NZ-OE2 2.86Å; K233-E235 PolarHBondContact O-N 2.83Å
236	D	93.2	Very high	97.8	Very high	75 Å²	75	40.8 Å²	40.8	40%	0.401	20%	0.2	S	C	.	.	S	Bend	trans	-96.2	-46.7	-175.8	-59.4	-33.2	0	0	0	110.1	H166 D234 H264	H166-D236 PolarHBondContact NE2-O 3.23Å; D234-D236 PolarHBondContact OD1-N 3.35Å; D236-H264 HydrophobicContact CB-CB 3.99Å; D236-H264 WeakPolarHBondContact OD2-CB 3.26Å; D236-H264 IonicContact OD2-CD2 3.99Å; D236-H264 PolarHBondContact OD2-CD2 3.4Å; D236-H264 IonicContact OD2-CG 3.26Å
237	V	95.8	Very high	97.8	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	23%	0.231	C	C	.	.	S	Bend	trans	-125.4	120.3	-177.9	-179.1	0	0	0	0	109.5	A163 H230 D234 W239 I241 H264	A163-V237 HydrophobicContact CB-CG1 4.28Å; A163-V237 HydrophobicContact CB-CG2 3.92Å; H230-V237 PolarHBondContact NE2-O 3.26Å; D234-V237 VanDerWaalsContact CB-O 3.29Å; D234-V237 WeakPolarHBondContact CB-O 3.37Å; D234-V237 PolarHBondContact OD1-N 2.82Å; V237-W239 PolarHBondContact O-N 3.2Å; V237-I241 HydrophobicContact CG1-CD1 3.89Å; V237-H264 WeakPolarHBondContact CG2-CE1 3.45Å
238	P	97.3	Very high	97.7	Very high	60 Å²	60	49.8 Å²	49.8	39%	0.39	24%	0.24	S	C	.	.			trans	-62.4	127.7	177.8	-24.2	33.9	0	0	0	112.2	H166 H240 I241	H166-P238 WeakPolarHBondContact CE1-CD 3.48Å; P238-H240 PolarHBondContact O-N 2.77Å; P238-I241 WeakPolarHBondContact O-CB 3.46Å; P238-I241 WeakPolarHBondContact O-CG1 3.5Å; P238-I241 PolarHBondContact O-N 2.84Å
239	W	98.3	Very high	97.7	Very high	65 Å²	65	50.3 Å²	50.3	25%	0.246	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.4	-179.6	67.7	-92.5	0	0	0	114.8	H230 L232 V237 I241 S242 M243 L258	H230-W239 HydrophobicContact CB-CB 4.11Å; H230-W239 VanDerWaalsContact CD2-CA 3.5Å; H230-W239 WeakPolarHBondContact CD2-CA 3.24Å; H230-W239 WeakPolarHBondContact NE2-CA 3.46Å; L232-W239 HydrophobicContact CD2-CB 4.39Å; L232-W239 HydrophobicContact CD2-CD2 3.63Å; L232-W239 HydrophobicContact CD2-CE3 4.13Å; L232-W239 HydrophobicContact CD2-CG 3.71Å; L232-W239 HydrophobicContact CD2-CZ2 4.43Å; V237-W239 PolarHBondContact O-N 3.2Å; W239-I241 PolarHBondContact O-N 3.08Å; W239-S242 WeakPolarHBondContact O-CB 3.42Å; W239-S242 PolarHBondContact O-N 2.81Å; W239-M243 HydrophobicContact CE3-CG 4.24Å; W239-M243 HydrophobicContact CE3-SD 4.01Å; W239-M243 HydrophobicContact CH2-SD 3.72Å; W239-M243 HydrophobicContact CZ3-CG 3.89Å; W239-M243 HydrophobicContact CZ3-SD 3.17Å; W239-M243 WeakPolarHBondContact CZ3-SD 3.38Å; W239-L258 HydrophobicContact CB-CD2 4.43Å; W239-L258 HydrophobicContact CD2-CD2 4.45Å; W239-L258 HydrophobicContact CE3-CD1 3.71Å; W239-L258 HydrophobicContact CE3-CD2 3.75Å; W239-L258 HydrophobicContact CE3-CG 4.41Å; W239-L258 HydrophobicContact CH2-CD1 4.44Å; W239-L258 HydrophobicContact CZ3-CD1 3.56Å; W239-L258 HydrophobicContact CZ3-CD2 4.42Å
240	H	98.3	Very high	97.7	Very high	94 Å²	94	55.2 Å²	55.2	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-57.9	-25.5	172.6	-61	91.4	0	0	0	113	P238 S242 M243 Q244	P238-H240 PolarHBondContact O-N 2.77Å; H240-S242 VanDerWaalsContact C-N 3.25Å; H240-S242 PolarHBondContact O-N 3.23Å; H240-M243 WeakPolarHBondContact O-CA 3.36Å; H240-M243 WeakPolarHBondContact O-CB 3.43Å; H240-M243 PolarHBondContact O-N 3.36Å; H240-Q244 WeakPolarHBondContact O-CG 3.38Å; H240-Q244 PolarHBondContact O-N 3.22Å
241	I	98.4	Very high	97.7	Very high	9 Å²	9	55.6 Å²	55.6	5%	0.046	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-37.7	175.5	-67.1	179.4	0	0	0	110.4	S162 A164 H166 L216 V237 P238 W239 M243 Q244 V245	S162-I241 VanDerWaalsContact O-CG2 3.31Å; S162-I241 WeakPolarHBondContact O-CG2 3.36Å; A164-I241 HydrophobicContact CB-CG2 4.09Å; H166-I241 HydrophobicContact CB-CD1 3.97Å; H166-I241 VanDerWaalsContact ND1-CD1 3.29Å; H166-I241 WeakPolarHBondContact ND1-CD1 3.41Å; L216-I241 HydrophobicContact CD1-CG2 4.3Å; V237-I241 HydrophobicContact CG1-CD1 3.89Å; P238-I241 WeakPolarHBondContact O-CB 3.46Å; P238-I241 WeakPolarHBondContact O-CG1 3.5Å; P238-I241 PolarHBondContact O-N 2.84Å; W239-I241 PolarHBondContact O-N 3.08Å; I241-M243 VanDerWaalsContact C-N 3.3Å; I241-M243 PolarHBondContact O-N 3.26Å; I241-Q244 PolarHBondContact O-N 3.37Å; I241-V245 WeakPolarHBondContact O-CG2 3.21Å; I241-V245 PolarHBondContact O-N 3.37Å
242	S	98.6	Very high	97.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-34.2	173.1	-74.5	0	0	0	0	112.8	L228 H230 W239 H240 A246	L228-S242 WeakPolarHBondContact CD1-O 3.32Å; H230-S242 PolarHBondContact ND1-OG 3.35Å; W239-S242 WeakPolarHBondContact O-CB 3.42Å; W239-S242 PolarHBondContact O-N 2.81Å; H240-S242 VanDerWaalsContact C-N 3.25Å; H240-S242 PolarHBondContact O-N 3.23Å; S242-A246 WeakPolarHBondContact O-CB 3.37Å; S242-A246 PolarHBondContact O-N 3.23Å
243	M	98.3	Very high	97.7	Very high	65 Å²	65	59.9 Å²	59.9	32%	0.32	30%	0.302	S	S	.	.	H	α-helix	trans	-66.4	-45.2	172.4	-59.6	-178.9	70.9	0	0	111.5	W239 H240 I241 V245 A246 E247 I256	W239-M243 HydrophobicContact CE3-CG 4.24Å; W239-M243 HydrophobicContact CE3-SD 4.01Å; W239-M243 HydrophobicContact CH2-SD 3.72Å; W239-M243 HydrophobicContact CZ3-CG 3.89Å; W239-M243 HydrophobicContact CZ3-SD 3.17Å; W239-M243 WeakPolarHBondContact CZ3-SD 3.38Å; H240-M243 WeakPolarHBondContact O-CA 3.36Å; H240-M243 WeakPolarHBondContact O-CB 3.43Å; H240-M243 PolarHBondContact O-N 3.36Å; I241-M243 VanDerWaalsContact C-N 3.3Å; I241-M243 PolarHBondContact O-N 3.26Å; M243-V245 VanDerWaalsContact C-N 3.27Å; M243-V245 PolarHBondContact O-N 3.39Å; M243-A246 WeakPolarHBondContact O-CB 3.49Å; M243-A246 PolarHBondContact O-N 3.11Å; M243-A246 VanDerWaalsContact O-N 3.09Å; M243-E247 WeakPolarHBondContact O-CG 3.31Å; M243-E247 PolarHBondContact O-N 2.94Å; M243-I256 HydrophobicContact CB-CD1 4.29Å; M243-I256 HydrophobicContact CG-CD1 4Å
244	Q	98.6	Very high	97.8	Very high	73 Å²	73	56.1 Å²	56.1	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-38.6	179	-69.8	175.4	0.8	0	0	112.2	L216 H240 I241 R248	L216-Q244 HydrophobicContact CD1-CB 4.4Å; L216-Q244 HydrophobicContact CD2-CB 4.29Å; H240-Q244 WeakPolarHBondContact O-CG 3.38Å; H240-Q244 PolarHBondContact O-N 3.22Å; I241-Q244 PolarHBondContact O-N 3.37Å; Q244-R248 VanDerWaalsContact O-CD 3.31Å; Q244-R248 WeakPolarHBondContact O-CD 3.1Å; Q244-R248 VanDerWaalsContact O-CG 3.31Å; Q244-R248 WeakPolarHBondContact O-CG 3.36Å; Q244-R248 PolarHBondContact O-N 2.88Å; Q244-R248 PolarHBondContact O-NH1 3.23Å
245	V	98.8	Very high	97.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-53.5	171.7	172.7	0	0	0	0	109.8	L144 A164 L216 L228 I241 M243 E247 R248 V249	L144-V245 HydrophobicContact CD1-CG1 3.98Å; L144-V245 HydrophobicContact CD1-CG2 3.95Å; L144-V245 HydrophobicContact CD2-CG1 4.03Å; A164-V245 HydrophobicContact CB-CG2 3.75Å; L216-V245 HydrophobicContact CD2-CG2 3.8Å; L228-V245 HydrophobicContact CD1-CB 3.96Å; L228-V245 HydrophobicContact CD1-CG1 3.83Å; L228-V245 HydrophobicContact CD2-CG1 4.42Å; I241-V245 WeakPolarHBondContact O-CG2 3.21Å; I241-V245 PolarHBondContact O-N 3.37Å; M243-V245 VanDerWaalsContact C-N 3.27Å; M243-V245 PolarHBondContact O-N 3.39Å; V245-E247 VanDerWaalsContact C-N 3.29Å; V245-E247 PolarHBondContact O-N 2.97Å; V245-R248 PolarHBondContact O-N 3.28Å; V245-V249 HydrophobicContact CG1-CG1 4.46Å; V245-V249 WeakPolarHBondContact O-CG2 3.31Å; V245-V249 PolarHBondContact O-N 3.44Å
246	A	98.7	Very high	98.1	Very high	20 Å²	20	54.5 Å²	54.5	17%	0.165	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-38.4	-177.2	0	0	0	0	0	113.5	L228 S242 M243 R248 V249 V254 I256	L228-A246 HydrophobicContact CD1-CB 4.06Å; S242-A246 WeakPolarHBondContact O-CB 3.37Å; S242-A246 PolarHBondContact O-N 3.23Å; M243-A246 WeakPolarHBondContact O-CB 3.49Å; M243-A246 PolarHBondContact O-N 3.11Å; M243-A246 VanDerWaalsContact O-N 3.09Å; A246-R248 PolarHBondContact O-N 3.14Å; A246-V249 WeakPolarHBondContact O-CG2 3.43Å; A246-V254 HydrophobicContact CB-CG1 3.66Å; A246-I256 HydrophobicContact CB-CD1 3.57Å; A246-I256 HydrophobicContact CB-CG1 3.83Å
247	E	98.3	Very high	98.3	Very high	140 Å²	140	53.4 Å²	53.4	65%	0.654	28%	0.278	S	S	*	.	H	α-helix	trans	-67.1	-23.7	176.8	-73.5	173.2	177.3	0	0	113.4	M243 V245	M243-E247 WeakPolarHBondContact O-CG 3.31Å; M243-E247 PolarHBondContact O-N 2.94Å; V245-E247 VanDerWaalsContact C-N 3.29Å; V245-E247 PolarHBondContact O-N 2.97Å
248	R	98.6	Very high	98.5	Very high	72 Å²	72	56.6 Å²	56.6	27%	0.272	29%	0.294	S	S	.	.	H	α-helix	trans	-103.4	-26.5	-172.6	-71.2	169.4	177.7	65.3	-1	113.7	L216 P219 I220 Q244 V245 A246 L250	L216-R248 PolarHBondContact O-NE 3.27Å; L216-R248 PolarHBondContact O-NH2 3Å; P219-R248 CarbonylContact C-O 3.58Å; P219-R248 WeakPolarHBondContact CA-O 3.36Å; I220-R248 HydrophobicContact CB-CB 4.5Å; I220-R248 HydrophobicContact CD1-CB 3.84Å; I220-R248 HydrophobicContact CG1-CB 3.89Å; I220-R248 PolarHBondContact N-O 3.3Å; Q244-R248 VanDerWaalsContact O-CD 3.31Å; Q244-R248 WeakPolarHBondContact O-CD 3.1Å; Q244-R248 VanDerWaalsContact O-CG 3.31Å; Q244-R248 WeakPolarHBondContact O-CG 3.36Å; Q244-R248 PolarHBondContact O-N 2.88Å; Q244-R248 PolarHBondContact O-NH1 3.23Å; V245-R248 PolarHBondContact O-N 3.28Å; A246-R248 PolarHBondContact O-N 3.14Å; R248-L250 PolarHBondContact O-N 3.3Å
249	V	98.6	Very high	98.5	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.067	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-62.9	134.4	174.3	-82.8	0	0	0	0	110.6	I220 I222 V245 A246 S251 V254	I220-V249 HydrophobicContact CB-CG1 3.88Å; I220-V249 HydrophobicContact CD1-CG1 4.39Å; I220-V249 HydrophobicContact CG2-CG1 3.74Å; I220-V249 WeakPolarHBondContact O-CA 3.37Å; I222-V249 HydrophobicContact CB-CG1 4.06Å; I222-V249 HydrophobicContact CD1-CG1 4.24Å; V245-V249 HydrophobicContact CG1-CG1 4.46Å; V245-V249 WeakPolarHBondContact O-CG2 3.31Å; V245-V249 PolarHBondContact O-N 3.44Å; A246-V249 WeakPolarHBondContact O-CG2 3.43Å; V249-S251 PolarHBondContact O-N 2.8Å; V249-V254 HydrophobicContact CG2-CG1 4.15Å; V249-V254 HydrophobicContact CG2-CG2 3.64Å
250	L	98.7	Very high	98.4	Very high	106 Å²	106	64.2 Å²	64.2	56%	0.555	32%	0.315	S	S	*	.			trans	-74.2	-11.6	-179.7	-64.7	-173.7	0	0	0	113.6	P219 I220 P221 I222 T223 R248	P219-L250 HydrophobicContact CB-CD2 3.91Å; I220-L250 PolarHBondContact O-N 3Å; P221-L250 HydrophobicContact CB-CD1 4.36Å; I222-L250 CarbonylContact O-C 3.58Å; I222-L250 PolarHBondContact O-N 2.77Å; T223-L250 HydrophobicContact CG2-CB 4.38Å; R248-L250 PolarHBondContact O-N 3.3Å
251	S	98.6	Very high	98.3	Very high	9 Å²	9	64.9 Å²	64.9	6%	0.063	32%	0.322	C	S	.	.			trans	-61.7	132.4	178.2	-176.4	0	0	0	0	110.8	I222 T223 C224 V249 D253 V254	I222-S251 WeakPolarHBondContact O-CB 3.18Å; I222-S251 PolarHBondContact O-N 3.48Å; T223-S251 PolarHBondContact O-OG 3.01Å; C224-S251 WeakPolarHBondContact O-CB 3.39Å; C224-S251 PolarHBondContact O-OG 3.44Å; V249-S251 PolarHBondContact O-N 2.8Å; S251-D253 PolarHBondContact O-N 3.48Å; S251-D253 PolarHBondContact OG-N 3.37Å; S251-V254 VanDerWaalsContact O-CG2 3.29Å; S251-V254 WeakPolarHBondContact O-CG2 3.36Å
252	P	97.7	Very high	98.2	Very high	129 Å²	129	64.5 Å²	64.5	84%	0.838	32%	0.321	S	S	*	.	S	Bend	trans	-76.7	-8.8	170.8	33.1	-35.4	0	0	0	112.6
253	D	98.6	Very high	98.1	Very high	34 Å²	34	70.9 Å²	70.9	18%	0.182	35%	0.35	C	S	.	.			trans	-111.4	76.2	-173.6	-177.7	12.5	0	0	0	111.1	P225 V226 R227 S251 K285	P225-D253 WeakPolarHBondContact CA-O 3.29Å; P225-D253 HydrophobicContact CB-CB 4.49Å; P225-D253 VanDerWaalsContact CB-OD2 3.29Å; P225-D253 WeakPolarHBondContact CB-OD2 3.5Å; P225-D253 VanDerWaalsContact CG-OD2 3.31Å; P225-D253 WeakPolarHBondContact CG-OD2 3.25Å; V226-D253 PolarHBondContact N-O 3.47Å; R227-D253 IonicContact CZ-OD1 3.15Å; R227-D253 VanDerWaalsContact CZ-OD1 3.32Å; R227-D253 PolarHBondContact NH1-O 3.47Å; R227-D253 VanDerWaalsContact NH1-O 3.14Å; R227-D253 IonicContact NH1-OD1 2.74Å; R227-D253 PolarHBondContact NH1-OD1 2.94Å; R227-D253 IonicContact NH1-OD2 3.35Å; R227-D253 IonicContact NH2-OD1 2.75Å; R227-D253 PolarHBondContact NH2-OD1 2.83Å; R227-D253 IonicContact NH2-OD2 2.86Å; S251-D253 PolarHBondContact O-N 3.48Å; S251-D253 PolarHBondContact OG-N 3.37Å; D253-K285 IonicContact OD1-NZ 3.97Å; D253-K285 PolarHBondContact OD1-NZ 3.19Å; D253-K285 VanDerWaalsContact OD1-NZ 3.16Å; D253-K285 WeakPolarHBondContact OD2-CE 3.17Å; D253-K285 IonicContact OD2-NZ 3.85Å; D253-K285 PolarHBondContact OD2-NZ 2.7Å
254	V	98.8	Very high	98	Very high	35 Å²	35	69.1 Å²	69.1	21%	0.212	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.5	-174.2	-174.3	0	0	0	0	110.2	V226 A246 V249 S251	V226-V254 HydrophobicContact CB-CG1 4.23Å; V226-V254 HydrophobicContact CB-CG2 4.2Å; V226-V254 HydrophobicContact CG1-CG1 4.49Å; V226-V254 HydrophobicContact CG2-CG2 4.46Å; V226-V254 WeakPolarHBondContact O-CA 3.17Å; A246-V254 HydrophobicContact CB-CG1 3.66Å; V249-V254 HydrophobicContact CG2-CG1 4.15Å; V249-V254 HydrophobicContact CG2-CG2 3.64Å; S251-V254 VanDerWaalsContact O-CG2 3.29Å; S251-V254 WeakPolarHBondContact O-CG2 3.36Å
255	D	98.8	Very high	97.7	Very high	80 Å²	80	71.9 Å²	71.9	43%	0.428	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	142.9	173.2	-61	-45.9	0	0	0	111.1	V226 R227 L228	V226-D255 PolarHBondContact O-N 2.81Å; R227-D255 WeakPolarHBondContact CA-O 3.39Å; R227-D255 IonicContact CZ-OD2 3.33Å; R227-D255 IonicContact NE-OD2 3.09Å; R227-D255 PolarHBondContact NE-OD2 2.95Å; R227-D255 IonicContact NH1-OD2 2.64Å; R227-D255 IonicContact NH2-OD2 2.84Å; R227-D255 PolarHBondContact NH2-OD2 2.85Å; L228-D255 PolarHBondContact N-O 3.34Å
256	I	98.7	Very high	97.5	Very high	63 Å²	63	72.1 Å²	72.1	32%	0.323	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.3	171.5	-49.8	175	0	0	0	109.1	L228 M243 A246 L258	L228-I256 CarbonylContact O-C 3.55Å; L228-I256 WeakPolarHBondContact O-CA 3.41Å; M243-I256 HydrophobicContact CB-CD1 4.29Å; M243-I256 HydrophobicContact CG-CD1 4Å; A246-I256 HydrophobicContact CB-CD1 3.57Å; A246-I256 HydrophobicContact CB-CG1 3.83Å; I256-L258 HydrophobicContact CG2-CD2 3.81Å; I256-L258 HydrophobicContact CG2-CG 4.02Å
257	I	98.7	Very high	97.2	Very high	52 Å²	52	72.2 Å²	72.2	27%	0.267	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	109.3	178.8	-56.7	164.3	0	0	0	108.7	L228 I229 H230 L274 T278	L228-I257 PolarHBondContact O-N 3.45Å; I229-I257 WeakPolarHBondContact CA-O 3.49Å; I229-I257 HydrophobicContact CG1-CB 4.27Å; I229-I257 HydrophobicContact CG1-CD1 4.03Å; H230-I257 PolarHBondContact N-O 2.79Å; I257-L274 HydrophobicContact CD1-CD1 4.46Å; I257-L274 HydrophobicContact CG2-CD1 4.26Å; I257-L274 HydrophobicContact CG2-CD2 3.89Å; I257-T278 HydrophobicContact CD1-CG2 4.36Å
258	L	98.6	Very high	97	Very high	72 Å²	72	71.9 Å²	71.9	38%	0.377	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.8	-179.4	-60.3	176.9	0	0	0	111.4	H230 L232 W239 I256	H230-L258 HydrophobicContact CB-CD2 3.95Å; H230-L258 CarbonylContact O-C 3.57Å; H230-L258 WeakPolarHBondContact O-CA 3.22Å; L232-L258 HydrophobicContact CD2-CB 4.04Å; L232-L258 HydrophobicContact CD2-CD1 4.14Å; L232-L258 HydrophobicContact CD2-CD2 4.25Å; L232-L258 HydrophobicContact CD2-CG 4.36Å; L232-L258 HydrophobicContact CG-CB 4.3Å; W239-L258 HydrophobicContact CB-CD2 4.43Å; W239-L258 HydrophobicContact CD2-CD2 4.45Å; W239-L258 HydrophobicContact CE3-CD1 3.71Å; W239-L258 HydrophobicContact CE3-CD2 3.75Å; W239-L258 HydrophobicContact CE3-CG 4.41Å; W239-L258 HydrophobicContact CH2-CD1 4.44Å; W239-L258 HydrophobicContact CZ3-CD1 3.56Å; W239-L258 HydrophobicContact CZ3-CD2 4.42Å; I256-L258 HydrophobicContact CG2-CD2 3.81Å; I256-L258 HydrophobicContact CG2-CG 4.02Å
259	R	98	Very high	96.9	Very high	80 Å²	80	76.8 Å²	76.8	30%	0.302	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	110.5	177.4	-79.8	-95.6	-71.9	177	3.1	110	H230 L232 N261 G262 M266 D271 L274	H230-R259 PolarHBondContact O-N 3.18Å; L232-R259 PolarHBondContact N-O 2.77Å; R259-N261 PolarHBondContact O-N 3.47Å; R259-G262 PolarHBondContact O-N 3.35Å; R259-M266 HydrophobicContact CB-CE 3.98Å; R259-M266 HydrophobicContact CG-CE 3.74Å; R259-D271 IonicContact CZ-OD1 3.87Å; R259-D271 IonicContact NE-OD1 2.79Å; R259-D271 PolarHBondContact NE-OD1 3.17Å; R259-D271 IonicContact NH2-OD1 3.21Å; R259-D271 PolarHBondContact NH2-OD1 3.05Å; R259-L274 HydrophobicContact CG-CD2 3.72Å
260	R	97.3	Very high	96.8	Very high	204 Å²	204	80.3 Å²	80.3	77%	0.77	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-37.6	-176.9	-175.3	174.5	-176.4	175.4	2.4	114.9
261	N	96	Very high	96.7	Very high	108 Å²	108	75.7 Å²	75.7	58%	0.578	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	6	179.7	-67.3	-46.7	0	0	0	113.1	K233 R259	K233-N261 WeakPolarHBondContact CE-OD1 3.44Å; K233-N261 PolarHBondContact NZ-OD1 3.03Å; R259-N261 PolarHBondContact O-N 3.47Å
262	G	96.4	Very high	96.6	Very high	2 Å²	2	76.6 Å²	76.6	2%	0.021	37%	0.369	C	S	.	.			trans	-66.1	139.8	177.6	0	0	0	0	0	110.5	G231 L232 K233 R259	G231-G262 CarbonylContact C-O 3.49Å; G231-G262 VanDerWaalsContact CA-C 3.49Å; G231-G262 WeakPolarHBondContact CA-O 3.41Å; L232-G262 PolarHBondContact N-O 2.92Å; K233-G262 CarbonylContact C-O 3.58Å; K233-G262 WeakPolarHBondContact CA-O 3.29Å; K233-G262 WeakPolarHBondContact CB-O 3.35Å; K233-G262 PolarHBondContact N-O 3.27Å; R259-G262 PolarHBondContact O-N 3.35Å
263	Q	95.6	Very high	96.6	Very high	133 Å²	133	75.2 Å²	75.2	62%	0.621	35%	0.35	S	S	*	.			trans	-110.8	177.1	173.5	-60	175.3	16.2	0	0	109.1	K233 R265 M266	K233-Q263 HydrophobicContact CB-CG 4.46Å; Q263-R265 VanDerWaalsContact C-N 3.3Å; Q263-R265 PolarHBondContact O-N 3.3Å; Q263-R265 VanDerWaalsContact O-N 3.14Å; Q263-M266 VanDerWaalsContact O-CG 3.31Å; Q263-M266 WeakPolarHBondContact O-CG 3.28Å; Q263-M266 PolarHBondContact O-N 3.01Å; Q263-M266 VanDerWaalsContact O-N 3.13Å; Q263-M266 VanDerWaalsContact O-SD 3.41Å
264	H	95.8	Very high	96.6	Very high	28 Å²	28	75.4 Å²	75.4	13%	0.13	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-44.7	-174.8	-167.8	52.7	0	0	0	115.1	S137 D234 D236 V237 M266	S137-H264 WeakPolarHBondContact CB-NE2 3.37Å; S137-H264 PolarHBondContact OG-CE1 3.36Å; S137-H264 PolarHBondContact OG-NE2 2.97Å; S137-H264 VanDerWaalsContact OG-NE2 3.1Å; D234-H264 WeakPolarHBondContact OD1-CB 3.29Å; D234-H264 IonicContact OD1-CG 2.75Å; D234-H264 IonicContact OD1-ND1 3.1Å; D234-H264 PolarHBondContact OD1-ND1 3.06Å; D234-H264 VanDerWaalsContact OD2-CA 3.24Å; D234-H264 WeakPolarHBondContact OD2-CA 3.37Å; D234-H264 IonicContact OD2-CE1 3.61Å; D234-H264 IonicContact OD2-CG 2.86Å; D234-H264 IonicContact OD2-ND1 2.63Å; D234-H264 PolarHBondContact OD2-ND1 2.92Å; D236-H264 HydrophobicContact CB-CB 3.99Å; D236-H264 WeakPolarHBondContact OD2-CB 3.26Å; D236-H264 IonicContact OD2-CD2 3.99Å; D236-H264 PolarHBondContact OD2-CD2 3.4Å; D236-H264 IonicContact OD2-CG 3.26Å; V237-H264 WeakPolarHBondContact CG2-CE1 3.45Å; H264-M266 VanDerWaalsContact C-N 3.27Å; H264-M266 PolarHBondContact O-N 3.06Å
265	R	93	Very high	96.6	Very high	131 Å²	131	74 Å²	74	49%	0.494	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.5	-174	-65.3	-173.4	69.3	94.7	-2.5	113.6	K77 H194 Q263 S267	K77-R265 PolarHBondContact NZ-O 2.69Å; H194-R265 PolarHBondContact ND1-NH1 2.92Å; Q263-R265 VanDerWaalsContact C-N 3.3Å; Q263-R265 PolarHBondContact O-N 3.3Å; Q263-R265 VanDerWaalsContact O-N 3.14Å; R265-S267 PolarHBondContact O-N 3.19Å
266	M	95.2	Very high	96.6	Very high	6 Å²	6	71.1 Å²	71.1	3%	0.03	33%	0.327	C	S	.	.			trans	42.3	51.7	-174.7	-69.2	-58.9	-65.1	0	0	112	I160 I229 R259 Q263 H264 D271	I160-M266 HydrophobicContact CG2-CB 3.66Å; I160-M266 HydrophobicContact CG2-CG 4.02Å; I229-M266 HydrophobicContact CG2-CE 3.82Å; R259-M266 HydrophobicContact CB-CE 3.98Å; R259-M266 HydrophobicContact CG-CE 3.74Å; Q263-M266 VanDerWaalsContact O-CG 3.31Å; Q263-M266 WeakPolarHBondContact O-CG 3.28Å; Q263-M266 PolarHBondContact O-N 3.01Å; Q263-M266 VanDerWaalsContact O-N 3.13Å; Q263-M266 VanDerWaalsContact O-SD 3.41Å; H264-M266 VanDerWaalsContact C-N 3.27Å; H264-M266 PolarHBondContact O-N 3.06Å; M266-D271 WeakPolarHBondContact CA-OD2 3.47Å; M266-D271 HydrophobicContact CB-CB 4.27Å; M266-D271 HydrophobicContact CE-CB 3.94Å; M266-D271 WeakPolarHBondContact CE-OD1 3.35Å; M266-D271 WeakPolarHBondContact O-CB 3.48Å
267	S	91.8	Very high	96.5	Very high	22 Å²	22	74.8 Å²	74.8	15%	0.154	34%	0.338	C	S	.	.			trans	-121.6	3.6	-170.7	60	0	0	0	0	114.4	Q76 R265 D271	Q76-S267 PolarHBondContact OE1-O 2.99Å; R265-S267 PolarHBondContact O-N 3.19Å; S267-D271 PolarHBondContact N-OD2 2.82Å
268	E	94.8	Very high	96.5	Very high	133 Å²	133	73 Å²	73	62%	0.621	33%	0.329	S	S	*	.	S	Bend	trans	-65.2	157.5	171.6	-63.8	-57	137.8	0	0	110.1	D270 D271 I272	E268-D270 PolarHBondContact O-N 3.34Å; E268-D271 WeakPolarHBondContact CB-OD2 3.41Å; E268-D271 PolarHBondContact N-OD2 3.41Å; E268-D271 WeakPolarHBondContact O-CA 3.35Å; E268-D271 WeakPolarHBondContact O-CB 3.48Å; E268-D271 PolarHBondContact O-N 3.2Å; E268-I272 PolarHBondContact O-N 2.93Å
269	K	95.4	Very high	96.5	Very high	175 Å²	175	69.5 Å²	69.5	76%	0.761	31%	0.311	S	S	*	.	H	α-helix	trans	-51	-40.3	-176.8	-70.3	-178	179.8	176.8	0	113	K273	K269-K273 WeakPolarHBondContact O-CG 3.38Å; K269-K273 PolarHBondContact O-N 3.48Å; K269-K273 VanDerWaalsContact O-N 3.07Å
270	D	96.4	Very high	96.5	Very high	85 Å²	85	67.8 Å²	67.8	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-79.4	-22.1	179.8	-65	-22.8	0	0	0	113.3	E268 K273 L274	E268-D270 PolarHBondContact O-N 3.34Å; D270-K273 IonicContact OD1-NZ 2.99Å; D270-K273 PolarHBondContact OD1-NZ 2.84Å; D270-L274 WeakPolarHBondContact O-CB 3.09Å; D270-L274 PolarHBondContact O-N 3.24Å; D270-L274 VanDerWaalsContact O-N 3.08Å
271	D	96.8	Very high	96.5	Very high	9 Å²	9	63.4 Å²	63.4	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-69.6	-44.2	169.1	-59.9	-38.6	0	0	0	110.3	R259 M266 S267 E268 K273 L274 M275	R259-D271 IonicContact CZ-OD1 3.87Å; R259-D271 IonicContact NE-OD1 2.79Å; R259-D271 PolarHBondContact NE-OD1 3.17Å; R259-D271 IonicContact NH2-OD1 3.21Å; R259-D271 PolarHBondContact NH2-OD1 3.05Å; M266-D271 WeakPolarHBondContact CA-OD2 3.47Å; M266-D271 HydrophobicContact CB-CB 4.27Å; M266-D271 HydrophobicContact CE-CB 3.94Å; M266-D271 WeakPolarHBondContact CE-OD1 3.35Å; M266-D271 WeakPolarHBondContact O-CB 3.48Å; S267-D271 PolarHBondContact N-OD2 2.82Å; E268-D271 WeakPolarHBondContact CB-OD2 3.41Å; E268-D271 PolarHBondContact N-OD2 3.41Å; E268-D271 WeakPolarHBondContact O-CA 3.35Å; E268-D271 WeakPolarHBondContact O-CB 3.48Å; E268-D271 PolarHBondContact O-N 3.2Å; D271-K273 PolarHBondContact O-N 2.84Å; D271-L274 WeakPolarHBondContact O-CB 3.4Å; D271-L274 PolarHBondContact O-N 2.91Å; D271-M275 PolarHBondContact O-N 2.96Å
272	I	97.3	Very high	96.6	Very high	27 Å²	27	58.4 Å²	58.4	14%	0.138	27%	0.273	C	S	.	.	H	α-helix	trans	-61.7	-44.6	177.1	-60.1	-57.5	0	0	0	110.8	K77 A80 E268 L274 M275 V276	K77-I272 HydrophobicContact CB-CD1 4.25Å; K77-I272 HydrophobicContact CG-CD1 3.49Å; K77-I272 VanDerWaalsContact CG-CD1 3.49Å; A80-I272 HydrophobicContact CB-CG2 3.45Å; A80-I272 VanDerWaalsContact CB-CG2 3.45Å; E268-I272 PolarHBondContact O-N 2.93Å; I272-L274 PolarHBondContact O-N 2.91Å; I272-M275 HydrophobicContact CD1-CE 4.17Å; I272-M275 HydrophobicContact CG2-CE 4.22Å; I272-M275 PolarHBondContact O-N 3.12Å; I272-V276 HydrophobicContact CG2-CG2 4.48Å; I272-V276 WeakPolarHBondContact O-CG2 3.47Å; I272-V276 PolarHBondContact O-N 3.42Å
273	K	97.5	Very high	96.6	Very high	100 Å²	100	58.5 Å²	58.5	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-45.6	174.8	-73.1	173.4	-166.5	160.7	0	111.8	K269 D270 D271 M275 V276 Y277	K269-K273 WeakPolarHBondContact O-CG 3.38Å; K269-K273 PolarHBondContact O-N 3.48Å; K269-K273 VanDerWaalsContact O-N 3.07Å; D270-K273 IonicContact OD1-NZ 2.99Å; D270-K273 PolarHBondContact OD1-NZ 2.84Å; D271-K273 PolarHBondContact O-N 2.84Å; K273-M275 VanDerWaalsContact C-N 3.34Å; K273-M275 PolarHBondContact O-N 3.41Å; K273-V276 PolarHBondContact O-N 2.9Å; K273-Y277 HydrophobicContact CB-CE2 4.2Å; K273-Y277 WeakPolarHBondContact O-CD2 3.29Å; K273-Y277 VanDerWaalsContact O-CG 3.29Å; K273-Y277 PolarHBondContact O-N 3.13Å
274	L	98.3	Very high	96.6	Very high	39 Å²	39	56.4 Å²	56.4	20%	0.204	27%	0.266	C	S	.	.	H	α-helix	trans	-58	-47.5	177.4	172.5	63.8	0	0	0	111.3	I229 I257 R259 D270 D271 I272 V276 Y277 T278	I229-L274 HydrophobicContact CD1-CG 4.34Å; I229-L274 HydrophobicContact CG2-CD2 3.79Å; I257-L274 HydrophobicContact CD1-CD1 4.46Å; I257-L274 HydrophobicContact CG2-CD1 4.26Å; I257-L274 HydrophobicContact CG2-CD2 3.89Å; R259-L274 HydrophobicContact CG-CD2 3.72Å; D270-L274 WeakPolarHBondContact O-CB 3.09Å; D270-L274 PolarHBondContact O-N 3.24Å; D270-L274 VanDerWaalsContact O-N 3.08Å; D271-L274 WeakPolarHBondContact O-CB 3.4Å; D271-L274 PolarHBondContact O-N 2.91Å; I272-L274 PolarHBondContact O-N 2.91Å; L274-V276 PolarHBondContact O-N 3.06Å; L274-Y277 PolarHBondContact O-N 2.9Å; L274-T278 WeakPolarHBondContact O-CB 3.44Å; L274-T278 PolarHBondContact O-N 2.78Å; L274-T278 PolarHBondContact O-OG1 3.44Å
275	M	98.1	Very high	96.6	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-47.6	176.4	174.9	-170.3	64.3	0	0	111.4	K77 L81 I160 I229 D271 I272 K273 T278 I279	K77-M275 HydrophobicContact CB-CE 4.06Å; K77-M275 HydrophobicContact CB-SD 4.08Å; K77-M275 HydrophobicContact CD-SD 4.21Å; K77-M275 HydrophobicContact CG-CE 4.34Å; K77-M275 HydrophobicContact CG-SD 4.26Å; L81-M275 HydrophobicContact CD1-CE 4.05Å; L81-M275 HydrophobicContact CD1-SD 3.85Å; L81-M275 HydrophobicContact CD2-CE 3.75Å; L81-M275 HydrophobicContact CD2-CG 4.33Å; L81-M275 HydrophobicContact CD2-SD 4.26Å; L81-M275 HydrophobicContact CG-CE 3.61Å; L81-M275 HydrophobicContact CG-SD 4.09Å; I160-M275 HydrophobicContact CD1-CB 4.47Å; I160-M275 HydrophobicContact CD1-CG 3.7Å; I160-M275 HydrophobicContact CD1-SD 3.29Å; I160-M275 WeakPolarHBondContact CD1-SD 3.5Å; I229-M275 HydrophobicContact CD1-CB 4.47Å; D271-M275 PolarHBondContact O-N 2.96Å; I272-M275 HydrophobicContact CD1-CE 4.17Å; I272-M275 HydrophobicContact CG2-CE 4.22Å; I272-M275 PolarHBondContact O-N 3.12Å; K273-M275 VanDerWaalsContact C-N 3.34Å; K273-M275 PolarHBondContact O-N 3.41Å; M275-T278 PolarHBondContact O-N 3.41Å; M275-I279 HydrophobicContact CG-CD1 4Å; M275-I279 WeakPolarHBondContact O-CD1 3.38Å; M275-I279 WeakPolarHBondContact O-CG1 3.49Å; M275-I279 PolarHBondContact O-N 3.02Å; M275-I279 VanDerWaalsContact O-N 3.16Å
276	V	98	Very high	96.7	Very high	21 Å²	21	53.9 Å²	53.9	13%	0.127	26%	0.26	C	S	.	.	H	α-helix	trans	-61.5	-49.6	179.1	166.6	0	0	0	0	111.4	L81 F84 I272 K273 L274 T278 I279 D280	L81-V276 HydrophobicContact CD2-CG2 4.08Å; F84-V276 HydrophobicContact CB-CG1 4.21Å; F84-V276 HydrophobicContact CB-CG2 4.28Å; F84-V276 HydrophobicContact CD1-CG1 4.02Å; F84-V276 HydrophobicContact CD2-CG1 3.35Å; F84-V276 HydrophobicContact CE1-CG1 4.2Å; F84-V276 HydrophobicContact CE2-CG1 3.56Å; F84-V276 HydrophobicContact CG-CG1 3.58Å; F84-V276 HydrophobicContact CG-CG2 4.36Å; F84-V276 HydrophobicContact CZ-CG1 3.98Å; I272-V276 HydrophobicContact CG2-CG2 4.48Å; I272-V276 WeakPolarHBondContact O-CG2 3.47Å; I272-V276 PolarHBondContact O-N 3.42Å; K273-V276 PolarHBondContact O-N 2.9Å; L274-V276 PolarHBondContact O-N 3.06Å; V276-T278 VanDerWaalsContact C-N 3.3Å; V276-T278 PolarHBondContact O-N 2.96Å; V276-I279 PolarHBondContact O-N 3.37Å; V276-I279 VanDerWaalsContact O-N 3.09Å; V276-D280 PolarHBondContact O-N 2.95Å
277	Y	98.1	Very high	96.4	Very high	140 Å²	140	56.6 Å²	56.6	55%	0.549	28%	0.277	S	S	.	.	H	α-helix	trans	-62.4	-37	178.3	-64.4	-27.8	0	0	0	112.7	K273 L274 I279 D280 D281	K273-Y277 HydrophobicContact CB-CE2 4.2Å; K273-Y277 WeakPolarHBondContact O-CD2 3.29Å; K273-Y277 VanDerWaalsContact O-CG 3.29Å; K273-Y277 PolarHBondContact O-N 3.13Å; L274-Y277 PolarHBondContact O-N 2.9Å; Y277-I279 PolarHBondContact O-N 3.09Å; Y277-D280 WeakPolarHBondContact O-CB 3.48Å; Y277-D280 PolarHBondContact O-N 3.34Å; Y277-D281 WeakPolarHBondContact O-CB 3.3Å; Y277-D281 PolarHBondContact O-N 3.29Å
278	T	98.6	Very high	96	Very high	13 Å²	13	60.8 Å²	60.8	8%	0.08	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-36.9	175.5	-55.6	0	0	0	0	111.5	V158 R227 I229 I257 L274 M275 V276 L282	V158-T278 HydrophobicContact CG1-CG2 4.32Å; R227-T278 HydrophobicContact CB-CG2 3.6Å; R227-T278 HydrophobicContact CG-CG2 3.76Å; I229-T278 HydrophobicContact CD1-CG2 4.34Å; I257-T278 HydrophobicContact CD1-CG2 4.36Å; L274-T278 WeakPolarHBondContact O-CB 3.44Å; L274-T278 PolarHBondContact O-N 2.78Å; L274-T278 PolarHBondContact O-OG1 3.44Å; M275-T278 PolarHBondContact O-N 3.41Å; V276-T278 VanDerWaalsContact C-N 3.3Å; V276-T278 PolarHBondContact O-N 2.96Å; T278-L282 WeakPolarHBondContact O-CG 3.42Å; T278-L282 PolarHBondContact O-N 3.02Å
279	I	98.2	Very high	94.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-77.8	-38.1	178.7	-66.1	158.6	0	0	0	110.9	V63 L81 F84 V134 V158 M275 V276 Y277 L282 I283	V63-I279 HydrophobicContact CG2-CG2 4.3Å; L81-I279 HydrophobicContact CD1-CD1 4.02Å; L81-I279 HydrophobicContact CD2-CD1 3.32Å; L81-I279 HydrophobicContact CG-CD1 4.32Å; F84-I279 HydrophobicContact CE1-CB 4.36Å; F84-I279 HydrophobicContact CE1-CG2 4.03Å; V134-I279 HydrophobicContact CG1-CD1 4.22Å; V134-I279 HydrophobicContact CG2-CD1 3.68Å; V134-I279 HydrophobicContact CG2-CG1 4.21Å; V158-I279 HydrophobicContact CB-CG1 4.5Å; V158-I279 HydrophobicContact CG1-CG1 4.47Å; V158-I279 HydrophobicContact CG2-CG1 3.95Å; M275-I279 HydrophobicContact CG-CD1 4Å; M275-I279 WeakPolarHBondContact O-CD1 3.38Å; M275-I279 WeakPolarHBondContact O-CG1 3.49Å; M275-I279 PolarHBondContact O-N 3.02Å; M275-I279 VanDerWaalsContact O-N 3.16Å; V276-I279 PolarHBondContact O-N 3.37Å; V276-I279 VanDerWaalsContact O-N 3.09Å; Y277-I279 PolarHBondContact O-N 3.09Å; I279-L282 PolarHBondContact O-N 3.37Å; I279-I283 HydrophobicContact CG2-CD1 3.92Å; I279-I283 HydrophobicContact CG2-CG1 4.34Å; I279-I283 WeakPolarHBondContact O-CG1 3.32Å; I279-I283 PolarHBondContact O-N 2.68Å
280	D	98.1	Very high	92.2	Very high	44 Å²	44	61.6 Å²	61.6	24%	0.235	32%	0.322	C	S	.	.	H	α-helix	trans	-56.2	-54.4	173.9	-159.1	36.4	0	0	0	111	F84 L88 V276 Y277 L282 I283 D284	F84-D280 HydrophobicContact CE2-CB 4.27Å; F84-D280 HydrophobicContact CZ-CB 3.61Å; F84-D280 WeakPolarHBondContact CZ-OD1 3.38Å; L88-D280 WeakPolarHBondContact CD1-OD1 3.26Å; V276-D280 PolarHBondContact O-N 2.95Å; Y277-D280 WeakPolarHBondContact O-CB 3.48Å; Y277-D280 PolarHBondContact O-N 3.34Å; D280-L282 PolarHBondContact O-N 3.34Å; D280-I283 PolarHBondContact O-N 3.38Å; D280-D284 PolarHBondContact O-N 3.07Å
281	D	97.8	Very high	92	Very high	111 Å²	111	60.4 Å²	60.4	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-57.6	-37.4	177.7	-73.2	-0.7	0	0	0	111.9	Y277 K285	Y277-D281 WeakPolarHBondContact O-CB 3.3Å; Y277-D281 PolarHBondContact O-N 3.29Å; D281-K285 VanDerWaalsContact O-CB 3.3Å; D281-K285 WeakPolarHBondContact O-CB 3.31Å; D281-K285 PolarHBondContact O-N 3.44Å
282	L	97.6	Very high	91.8	Very high	3 Å²	3	63.1 Å²	63.1	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-70.3	-41.4	175.9	-83.3	174.6	0	0	0	112.6	I132 A156 V158 P225 R227 T278 I279 D280 D284 K285 L286	I132-L282 HydrophobicContact CD1-CB 4.48Å; A156-L282 HydrophobicContact CB-CD1 4.26Å; A156-L282 HydrophobicContact CB-CD2 4.28Å; V158-L282 HydrophobicContact CG2-CD1 3.41Å; V158-L282 VanDerWaalsContact CG2-CD1 3.41Å; P225-L282 HydrophobicContact CB-CD2 3.89Å; R227-L282 HydrophobicContact CB-CD1 4.47Å; R227-L282 HydrophobicContact CG-CD1 3.69Å; R227-L282 HydrophobicContact CG-CD2 4.19Å; R227-L282 HydrophobicContact CG-CG 4.06Å; T278-L282 WeakPolarHBondContact O-CG 3.42Å; T278-L282 PolarHBondContact O-N 3.02Å; I279-L282 PolarHBondContact O-N 3.37Å; D280-L282 PolarHBondContact O-N 3.34Å; L282-D284 VanDerWaalsContact C-N 3.33Å; L282-K285 PolarHBondContact O-N 3.05Å; L282-L286 WeakPolarHBondContact O-CB 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.4Å; L282-L286 PolarHBondContact O-N 3.3Å
283	I	96.9	Very high	91.4	Very high	4 Å²	4	65.1 Å²	65.1	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-47.3	175.9	-73.5	169.7	0	0	0	109.5	V63 F84 L88 I132 I279 D280 K285 L286 T287	V63-I283 HydrophobicContact CG2-CD1 4.47Å; F84-I283 HydrophobicContact CE1-CD1 4.37Å; L88-I283 HydrophobicContact CD1-CD1 4.43Å; I132-I283 HydrophobicContact CD1-CD1 4.5Å; I132-I283 HydrophobicContact CD1-CG1 3.59Å; I279-I283 HydrophobicContact CG2-CD1 3.92Å; I279-I283 HydrophobicContact CG2-CG1 4.34Å; I279-I283 WeakPolarHBondContact O-CG1 3.32Å; I279-I283 PolarHBondContact O-N 2.68Å; D280-I283 PolarHBondContact O-N 3.38Å; I283-K285 PolarHBondContact O-N 3.02Å; I283-L286 PolarHBondContact O-N 3.29Å; I283-T287 HydrophobicContact CG2-CG2 4.38Å; I283-T287 WeakPolarHBondContact O-CB 3.3Å; I283-T287 VanDerWaalsContact O-CG2 3.29Å; I283-T287 WeakPolarHBondContact O-CG2 3.41Å; I283-T287 PolarHBondContact O-N 2.98Å; I283-T287 PolarHBondContact O-OG1 2.96Å
284	D	95.8	Very high	91.1	Very high	89 Å²	89	63.1 Å²	63.1	48%	0.476	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-46.5	177.4	-83.5	-1.4	0	0	0	111.1	D280 L282 L286 T287 T288	D280-D284 PolarHBondContact O-N 3.07Å; L282-D284 VanDerWaalsContact C-N 3.33Å; D284-L286 PolarHBondContact O-N 3.47Å; D284-T287 PolarHBondContact O-N 2.95Å; D284-T287 PolarHBondContact O-OG1 3.34Å; D284-T288 WeakPolarHBondContact O-CB 3.23Å; D284-T288 VanDerWaalsContact O-CG2 3.29Å; D284-T288 WeakPolarHBondContact O-CG2 3.26Å; D284-T288 PolarHBondContact O-N 3.03Å; D284-T288 PolarHBondContact O-OG1 3.48Å
285	K	94.9	Very high	90.6	Very high	70 Å²	70	64.6 Å²	64.6	30%	0.304	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-46.4	176.8	-174.2	176.3	-172.4	176.2	0	112.3	D253 D281 L282 I283 T287 T288 M289	D253-K285 IonicContact OD1-NZ 3.97Å; D253-K285 PolarHBondContact OD1-NZ 3.19Å; D253-K285 VanDerWaalsContact OD1-NZ 3.16Å; D253-K285 WeakPolarHBondContact OD2-CE 3.17Å; D253-K285 IonicContact OD2-NZ 3.85Å; D253-K285 PolarHBondContact OD2-NZ 2.7Å; D281-K285 VanDerWaalsContact O-CB 3.3Å; D281-K285 WeakPolarHBondContact O-CB 3.31Å; D281-K285 PolarHBondContact O-N 3.44Å; L282-K285 PolarHBondContact O-N 3.05Å; I283-K285 PolarHBondContact O-N 3.02Å; K285-T287 VanDerWaalsContact C-N 3.34Å; K285-T287 PolarHBondContact O-N 3.46Å; K285-T288 PolarHBondContact O-OG1 3.19Å; K285-M289 HydrophobicContact CG-SD 3.87Å; K285-M289 WeakPolarHBondContact O-CB 3.36Å; K285-M289 WeakPolarHBondContact O-CG 3.45Å; K285-M289 PolarHBondContact O-N 2.84Å
286	L	94.6	Very high	90.1	Very high	37 Å²	37	68.6 Å²	68.6	19%	0.194	36%	0.364	C	S	.	.	H	α-helix	trans	-71.1	-28.1	-177.4	-70.1	169.4	0	0	0	113.1	P61 I132 A155 A156 P225 L282 I283 D284	P61-L286 HydrophobicContact CG-CB 4.49Å; P61-L286 HydrophobicContact CG-CD1 4.2Å; I132-L286 HydrophobicContact CD1-CD1 3.95Å; I132-L286 HydrophobicContact CG1-CD1 4.01Å; A155-L286 HydrophobicContact CB-CD1 3.95Å; A156-L286 HydrophobicContact CB-CD1 3.93Å; P225-L286 HydrophobicContact CG-CD2 4.31Å; L282-L286 WeakPolarHBondContact O-CB 3.31Å; L282-L286 WeakPolarHBondContact O-CG 3.4Å; L282-L286 PolarHBondContact O-N 3.3Å; I283-L286 PolarHBondContact O-N 3.29Å; D284-L286 PolarHBondContact O-N 3.47Å
287	T	89	Confident	89.6	Confident	63 Å²	63	72 Å²	72	39%	0.387	38%	0.381	S	S	.	.	H	α-helix	trans	-88.4	-25.1	180	54.9	0	0	0	0	113.3	I283 D284 K285	I283-T287 HydrophobicContact CG2-CG2 4.38Å; I283-T287 WeakPolarHBondContact O-CB 3.3Å; I283-T287 VanDerWaalsContact O-CG2 3.29Å; I283-T287 WeakPolarHBondContact O-CG2 3.41Å; I283-T287 PolarHBondContact O-N 2.98Å; I283-T287 PolarHBondContact O-OG1 2.96Å; D284-T287 PolarHBondContact O-N 2.95Å; D284-T287 PolarHBondContact O-OG1 3.34Å; K285-T287 VanDerWaalsContact C-N 3.34Å; K285-T287 PolarHBondContact O-N 3.46Å
288	T	83.2	Confident	88.9	Confident	109 Å²	109	66.8 Å²	66.8	67%	0.669	37%	0.368	S	S	*	.	H	α-helix	trans	-86.1	-16	176.2	52.8	0	0	0	0	114	D284 K285 V290	D284-T288 WeakPolarHBondContact O-CB 3.23Å; D284-T288 VanDerWaalsContact O-CG2 3.29Å; D284-T288 WeakPolarHBondContact O-CG2 3.26Å; D284-T288 PolarHBondContact O-N 3.03Å; D284-T288 PolarHBondContact O-OG1 3.48Å; K285-T288 PolarHBondContact O-OG1 3.19Å; T288-V290 VanDerWaalsContact C-N 3.29Å
289	M	63.1	Low	88.1	Confident	144 Å²	144	71.3 Å²	71.3	71%	0.709	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	3.4	175.7	-73.2	-177.9	72.9	0	0	114.1	K285	K285-M289 HydrophobicContact CG-SD 3.87Å; K285-M289 WeakPolarHBondContact O-CB 3.36Å; K285-M289 WeakPolarHBondContact O-CG 3.45Å; K285-M289 PolarHBondContact O-N 2.84Å
290	V	48.4	Very low	87.2	Confident	181 Å²	181	77.7 Å²	77.7	100%	1.097	43%	0.427	S	S	*	.			trans	-95.3	0	176.6	-175.2	0	0	0	0	111.1	T288	T288-V290 VanDerWaalsContact C-N 3.29Å

Retrieved 290 of 290 residues in 446.7 ms (Link to these results)

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