A0A060VSC9_ONCMY Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 8, mitochondrial

Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) which catalyzes electron transfer from NADH through the respiratory chain, using ubiquinone as an electron acceptor. Essential for the catalytic activity and assembly of complex I.

AlphaFold DB , UniProt , Accession A0A060VSC9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497443, Length 210 aa.

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(Predicted Aligned Error values between residue pairs)

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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	34.8	Very low	39.5	Very low	241 Å²	241	155.9 Å²	155.9	100%	1.187	85%	0.85	S	S	*	*				0	91.5	0	-71.3	173.3	76.1	0	0	108.2
2	S	35.8	Very low	38.7	Very low	100 Å²	100	152.6 Å²	152.6	70%	0.699	85%	0.847	S	S	*	*				75	94.3	122.2	-157.5	0	0	0	0	112.8	A4	S2-A4 WeakPolarHBondContact OG-CB 3.43Å
3	A	42.2	Very low	38.5	Very low	112 Å²	112	158.1 Å²	158.1	93%	0.926	85%	0.847	S	S	*	*			cis	51.7	51.2	39.9	0	0	0	0	0	114.1
4	A	44.8	Very low	38.8	Very low	76 Å²	76	155.6 Å²	155.6	63%	0.628	84%	0.843	S	S	*	*			trans	-157.5	20.4	176.6	0	0	0	0	0	117.7	S2	S2-A4 WeakPolarHBondContact OG-CB 3.43Å
5	L	44	Very low	38.4	Very low	172 Å²	172	150 Å²	150	90%	0.901	84%	0.836	S	S	*	*	S	Bend	trans	-138.8	20.6	-172.4	-104.9	150.1	0	0	0	117.8
6	R	42.1	Very low	37.9	Very low	248 Å²	248	149.8 Å²	149.8	94%	0.936	84%	0.84	S	S	*	*	S	Bend	trans	-133	29	172.9	-85.2	-168.5	-176.1	-172.9	2.1	115
7	V	41.4	Very low	38	Very low	124 Å²	124	151.4 Å²	151.4	75%	0.752	84%	0.844	S	S	*	*			trans	-126.8	20.6	-177.7	-173	0	0	0	0	113.3
8	L	37.2	Very low	37.7	Very low	164 Å²	164	148.3 Å²	148.3	86%	0.859	84%	0.842	S	S	*	*			trans	-119.2	42.4	-179.8	-69.4	176.1	0	0	0	114.4
9	Y	36.5	Very low	37.9	Very low	244 Å²	244	146.1 Å²	146.1	96%	0.957	84%	0.843	S	S	*	*	S	Bend	trans	-137.1	50.7	162.1	-96.3	-84.4	0	0	0	111.1
10	S	37.7	Very low	37.7	Very low	94 Å²	94	142.5 Å²	142.5	66%	0.657	84%	0.839	S	S	*	*	S	Bend	trans	-143.9	137.4	153.5	65.2	0	0	0	0	108.9
11	V	38.2	Very low	37.6	Very low	140 Å²	140	144.3 Å²	144.3	85%	0.848	84%	0.839	S	S	*	*			trans	79.1	90	169.2	-162	0	0	0	0	116.2
12	S	30	Very low	38.1	Very low	116 Å²	116	139.9 Å²	139.9	81%	0.811	82%	0.821	S	S	*	*				-158.6	112.4	121.8	62.7	0	0	0	0	111.8
13	R	35.3	Very low	38.3	Very low	224 Å²	224	143.3 Å²	143.3	85%	0.845	83%	0.83	S	S	*	*			trans	-120.8	163.4	142.7	-83	-172.5	177	-169.8	-0.8	104.7
14	P	43.2	Very low	38.3	Very low	123 Å²	123	144.5 Å²	144.5	80%	0.799	83%	0.826	S	S	*	*			cis	-135.3	170.9	-3.7	29.5	-7.5	0	0	0	114.4
15	G	33.5	Very low	38.2	Very low	72 Å²	72	151.7 Å²	151.7	74%	0.742	84%	0.836	S	S	*	*			trans	94	110.3	137.4	0	0	0	0	0	118.4
16	T	30.1	Very low	38.2	Very low	146 Å²	146	149.2 Å²	149.2	90%	0.896	83%	0.83	S	S	*	*			trans	-151.9	118.5	143.4	28.4	0	0	0	0	109.2
17	I	39	Very low	38.6	Very low	178 Å²	178	145.3 Å²	145.3	91%	0.913	83%	0.827	S	S	*	*			trans	-72.6	124.1	166.9	-66	169.3	0	0	0	107.1
18	A	33.6	Very low	39.2	Very low	96 Å²	96	144.2 Å²	144.2	79%	0.793	82%	0.824	S	S	*	*			trans	-137.4	114.6	164.6	0	0	0	0	0	109.1
19	A	41.2	Very low	39.6	Very low	106 Å²	106	144.2 Å²	144.2	88%	0.876	82%	0.824	S	S	*	*			trans	-70.8	141.1	171.1	0	0	0	0	0	110.4
20	G	32.8	Very low	40.5	Very low	74 Å²	74	137.7 Å²	137.7	76%	0.763	81%	0.814	S	S	*	*			trans	-179.1	130.4	175.3	0	0	0	0	0	111.4
21	H	36.8	Very low	41.4	Very low	180 Å²	180	137.4 Å²	137.4	83%	0.833	82%	0.818	S	S	*	*			trans	-71.2	153.8	-162.7	-81.8	-132.2	0	0	0	116.1
22	N	43.7	Very low	42.5	Very low	149 Å²	149	139.5 Å²	139.5	80%	0.797	82%	0.818	S	S	*	*			trans	57.4	82	154.8	-71.2	-18.7	0	0	0	118.3
23	L	41.8	Very low	43.8	Very low	172 Å²	172	143.8 Å²	143.8	90%	0.901	82%	0.817	S	S	*	*			trans	-131.7	124.1	148.6	-93	154.4	0	0	0	108.8	R25	L23-R25 PolarHBondContact O-N 2.87Å
24	V	41.5	Very low	45.4	Very low	137 Å²	137	141.7 Å²	141.7	83%	0.83	82%	0.816	S	S	*	*			trans	-38.8	120.9	175.9	175.8	0	0	0	0	110.7	P26	V24-P26 VanDerWaalsContact O-CD 3.27Å; V24-P26 WeakPolarHBondContact O-CD 3.37Å
25	R	43.4	Very low	47.3	Very low	227 Å²	227	140 Å²	140	86%	0.857	82%	0.821	S	S	*	*			trans	-62.2	117.8	168.6	-82.6	-177.5	167.7	-175.1	-3.2	107.7	L23 I27	L23-R25 PolarHBondContact O-N 2.87Å; R25-I27 PolarHBondContact O-N 3.04Å; R25-I27 VanDerWaalsContact O-N 3.11Å
26	P	42.4	Very low	49.7	Very low	119 Å²	119	141.1 Å²	141.1	77%	0.773	81%	0.806	S	S	*	*			trans	-62.5	119.6	169.3	25.9	-30.5	0	0	0	107.7	V24 S28	V24-P26 VanDerWaalsContact O-CD 3.27Å; V24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-S28 PolarHBondContact O-N 3.22Å
27	I	50.5	Low	52.5	Low	167 Å²	167	143.2 Å²	143.2	86%	0.856	80%	0.802	S	S	*	*	S	Bend	trans	-68.6	115.4	171.5	-66.1	170.3	0	0	0	106.3	R25	R25-I27 PolarHBondContact O-N 3.04Å; R25-I27 VanDerWaalsContact O-N 3.11Å
28	S	53.9	Low	54.8	Low	100 Å²	100	142.3 Å²	142.3	70%	0.699	79%	0.789	S	S	*	*			trans	69.5	100.3	171.6	-178.4	0	0	0	0	117.6	P26	P26-S28 PolarHBondContact O-N 3.22Å
29	L	46.5	Very low	57.5	Low	165 Å²	165	143.4 Å²	143.4	86%	0.864	79%	0.785	S	S	*	*				-151.7	124.5	116.9	-97.5	149.7	0	0	0	106	A31	L29-A31 PolarHBondContact O-N 3.19Å
30	S	55.8	Low	59.7	Low	107 Å²	107	145.4 Å²	145.4	75%	0.748	78%	0.781	S	S	*	*			trans	-35.2	117.4	-176.9	49.7	0	0	0	0	113.4	Q32	S30-Q32 PolarHBondContact O-N 2.91Å; S30-Q32 VanDerWaalsContact O-N 3.14Å
31	A	56.6	Low	62.2	Low	88 Å²	88	145.4 Å²	145.4	73%	0.727	77%	0.774	S	S	*	*			trans	-51.3	122.6	157.5	0	0	0	0	0	107.5	L29 R33	L29-A31 PolarHBondContact O-N 3.19Å; A31-R33 PolarHBondContact O-N 3.4Å
32	Q	60.8	Low	64.5	Low	183 Å²	183	144.8 Å²	144.8	86%	0.855	77%	0.771	S	S	*	*			trans	-53.3	109.4	170.7	-84.2	178.1	-58.3	0	0	107	S30 E34	S30-Q32 PolarHBondContact O-N 2.91Å; S30-Q32 VanDerWaalsContact O-N 3.14Å; Q32-E34 PolarHBondContact O-N 3Å
33	R	57.7	Low	66.5	Low	207 Å²	207	145.5 Å²	145.5	78%	0.781	78%	0.775	S	S	*	*			trans	-64.5	110.2	173.3	-63.2	174.7	169.9	174.6	-4	106.3	A31 G35 F36	A31-R33 PolarHBondContact O-N 3.4Å; R33-G35 PolarHBondContact O-N 3.22Å; R33-F36 HydrophobicContact CB-CD1 3.76Å; R33-F36 HydrophobicContact CB-CE1 3.54Å; R33-F36 WeakPolarHBondContact O-CD1 3.49Å; R33-F36 WeakPolarHBondContact O-CE1 3.35Å
34	E	69.3	Low	68.7	Low	179 Å²	179	142.7 Å²	142.7	84%	0.836	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	126.8	173.4	-65.3	-174	165.9	0	0	108	Q32	Q32-E34 PolarHBondContact O-N 3Å
35	G	82.4	Confident	70.9	Confident	87 Å²	87	139.6 Å²	139.6	90%	0.897	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	121.5	0	173.4	0	0	0	0	0	117.5	R33	R33-G35 PolarHBondContact O-N 3.22Å
36	F	84.3	Confident	73	Confident	97 Å²	97	134.6 Å²	134.6	43%	0.425	74%	0.738	S	S	.	*			trans	-112	137.4	170.1	72.3	-71.6	0	0	0	111	R33 Y38	R33-F36 HydrophobicContact CB-CD1 3.76Å; R33-F36 HydrophobicContact CB-CE1 3.54Å; R33-F36 WeakPolarHBondContact O-CD1 3.49Å; R33-F36 WeakPolarHBondContact O-CE1 3.35Å; F36-Y38 HydrophobicContact CD2-CD2 4.23Å; F36-Y38 HydrophobicContact CD2-CE1 4.34Å; F36-Y38 HydrophobicContact CD2-CE2 4.03Å; F36-Y38 HydrophobicContact CD2-CG 4.49Å; F36-Y38 HydrophobicContact CE1-CE2 4.28Å; F36-Y38 AromaticContact CE2-CD1 3.96Å; F36-Y38 HydrophobicContact CE2-CD1 3.96Å; F36-Y38 AromaticContact CE2-CD2 3.8Å; F36-Y38 HydrophobicContact CE2-CD2 3.8Å; F36-Y38 AromaticContact CE2-CE1 3.41Å; F36-Y38 HydrophobicContact CE2-CE1 3.41Å; F36-Y38 VanDerWaalsContact CE2-CE1 3.41Å; F36-Y38 AromaticContact CE2-CE2 3.2Å; F36-Y38 HydrophobicContact CE2-CE2 3.2Å; F36-Y38 HydrophobicContact CE2-CG 4.17Å; F36-Y38 AromaticContact CE2-CZ 3.01Å; F36-Y38 VanDerWaalsContact CE2-OH 3.32Å; F36-Y38 WeakPolarHBondContact CE2-OH 3.42Å; F36-Y38 HydrophobicContact CZ-CD2 4.29Å; F36-Y38 HydrophobicContact CZ-CE1 4.1Å; F36-Y38 AromaticContact CZ-CE2 3.34Å; F36-Y38 HydrophobicContact CZ-CE2 3.34Å; F36-Y38 AromaticContact CZ-CZ 3.25Å; F36-Y38 WeakPolarHBondContact CZ-OH 3.21Å
37	K	88.7	Confident	75.4	Confident	189 Å²	189	134.1 Å²	134.1	82%	0.822	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-96.8	118.2	175.3	-178.7	179.2	178.8	-178.9	0	108.4	V39	K37-V39 PolarHBondContact O-N 2.67Å
38	Y	86.4	Confident	77.3	Confident	160 Å²	160	133.4 Å²	133.4	63%	0.627	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-68.1	119.7	169	-68.5	-88.2	0	0	0	109.7	F36 A41	F36-Y38 HydrophobicContact CD2-CD2 4.23Å; F36-Y38 HydrophobicContact CD2-CE1 4.34Å; F36-Y38 HydrophobicContact CD2-CE2 4.03Å; F36-Y38 HydrophobicContact CD2-CG 4.49Å; F36-Y38 HydrophobicContact CE1-CE2 4.28Å; F36-Y38 AromaticContact CE2-CD1 3.96Å; F36-Y38 HydrophobicContact CE2-CD1 3.96Å; F36-Y38 AromaticContact CE2-CD2 3.8Å; F36-Y38 HydrophobicContact CE2-CD2 3.8Å; F36-Y38 AromaticContact CE2-CE1 3.41Å; F36-Y38 HydrophobicContact CE2-CE1 3.41Å; F36-Y38 VanDerWaalsContact CE2-CE1 3.41Å; F36-Y38 AromaticContact CE2-CE2 3.2Å; F36-Y38 HydrophobicContact CE2-CE2 3.2Å; F36-Y38 HydrophobicContact CE2-CG 4.17Å; F36-Y38 AromaticContact CE2-CZ 3.01Å; F36-Y38 VanDerWaalsContact CE2-OH 3.32Å; F36-Y38 WeakPolarHBondContact CE2-OH 3.42Å; F36-Y38 HydrophobicContact CZ-CD2 4.29Å; F36-Y38 HydrophobicContact CZ-CE1 4.1Å; F36-Y38 AromaticContact CZ-CE2 3.34Å; F36-Y38 HydrophobicContact CZ-CE2 3.34Å; F36-Y38 AromaticContact CZ-CZ 3.25Å; F36-Y38 WeakPolarHBondContact CZ-OH 3.21Å; Y38-A41 HydrophobicContact CG-CB 4.42Å
39	V	90.4	Very high	79.2	Confident	119 Å²	119	136.3 Å²	136.3	72%	0.721	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	132.2	174.6	-177.5	0	0	0	0	108.1	K37 A41	K37-V39 PolarHBondContact O-N 2.67Å; V39-A41 VanDerWaalsContact C-N 3.28Å; V39-A41 PolarHBondContact O-N 2.75Å
40	N	88.1	Confident	81.3	Confident	147 Å²	147	129.5 Å²	129.5	79%	0.786	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	61.1	24.6	179.8	-57	-23.7	0	0	0	115.9	Q42	N40-Q42 PolarHBondContact O-N 3.21Å
41	A	85	Confident	83	Confident	74 Å²	74	128.4 Å²	128.4	61%	0.612	68%	0.675	S	S	*	*			trans	-83.4	50.8	172.4	0	0	0	0	0	112.2	Y38 V39	Y38-A41 HydrophobicContact CG-CB 4.42Å; V39-A41 VanDerWaalsContact C-N 3.28Å; V39-A41 PolarHBondContact O-N 2.75Å
42	Q	86	Confident	84.8	Confident	168 Å²	168	127.7 Å²	127.7	79%	0.785	66%	0.662	S	S	*	*			trans	-120.1	126.6	-179.3	-67.9	170	-2.2	0	0	108.9	N40	N40-Q42 PolarHBondContact O-N 3.21Å
43	D	85.9	Confident	86.3	Confident	164 Å²	164	124 Å²	124	88%	0.877	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-74.8	144.2	174.9	-62.5	-41.6	0	0	0	110.5
44	L	86.4	Confident	87.9	Confident	112 Å²	112	119.3 Å²	119.3	59%	0.586	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-81.3	132.8	-177.4	-68.5	157.2	0	0	0	110.5
45	P	88.3	Confident	89	Confident	73 Å²	73	113 Å²	113	47%	0.474	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-69.5	137.5	178.6	27.8	-33.7	0	0	0	111.4	S50	P45-S50 PolarHBondContact O-OG 2.83Å
46	T	87.7	Confident	89.6	Confident	121 Å²	121	110.6 Å²	110.6	74%	0.742	58%	0.58	S	S	*	*			trans	-96.5	15.6	-176.3	50.1	0	0	0	0	114.1	I51	T46-I51 WeakPolarHBondContact O-CD1 3.5Å
47	D	93.8	Very high	90	Very high	110 Å²	110	109.8 Å²	109.8	59%	0.588	58%	0.578	S	S	*	*			trans	-66.8	145.6	178.1	-64.3	-34.6	0	0	0	111.8	K49 S50 I51	D47-K49 PolarHBondContact O-N 3.12Å; D47-K49 VanDerWaalsContact O-N 3.08Å; D47-S50 PolarHBondContact N-OG 3.08Å; D47-S50 PolarHBondContact O-N 2.79Å; D47-S50 VanDerWaalsContact O-N 3.1Å; D47-S50 PolarHBondContact O-OG 3.47Å; D47-I51 WeakPolarHBondContact O-CG1 3.3Å; D47-I51 PolarHBondContact O-N 2.82Å
48	M	90.3	Very high	90.2	Very high	151 Å²	151	105.5 Å²	105.5	74%	0.744	57%	0.568	S	S	*	*	H	α-helix	trans	-56.6	-31.9	179.5	-169.9	63.6	70.1	0	0	112.4	T52	M48-T52 WeakPolarHBondContact O-CB 3.32Å; M48-T52 WeakPolarHBondContact O-CG2 3.44Å; M48-T52 PolarHBondContact O-N 2.75Å; M48-T52 VanDerWaalsContact O-N 3.12Å; M48-T52 PolarHBondContact O-OG1 2.98Å
49	K	92.3	Very high	90.6	Very high	162 Å²	162	104.5 Å²	104.5	70%	0.704	57%	0.572	S	S	*	*	H	α-helix	trans	-71.4	-45.2	177.7	-151.9	179	-176.1	-176.7	0	112.3	D47 I51 T52 D53	D47-K49 PolarHBondContact O-N 3.12Å; D47-K49 VanDerWaalsContact O-N 3.08Å; K49-I51 VanDerWaalsContact C-N 3.34Å; K49-I51 PolarHBondContact O-N 3.47Å; K49-T52 WeakPolarHBondContact CA-OG1 3.28Å; K49-T52 PolarHBondContact O-N 2.78Å; K49-T52 PolarHBondContact O-OG1 3.2Å; K49-D53 WeakPolarHBondContact O-CB 2.95Å; K49-D53 VanDerWaalsContact O-CG 3.28Å; K49-D53 PolarHBondContact O-N 3.4Å
50	S	90.4	Very high	90.8	Very high	22 Å²	22	104.4 Å²	104.4	15%	0.154	57%	0.567	C	S	.	*	H	α-helix	trans	-68.9	-32.8	177.7	58.8	0	0	0	0	112.3	P45 D47 R54	P45-S50 PolarHBondContact O-OG 2.83Å; D47-S50 PolarHBondContact N-OG 3.08Å; D47-S50 PolarHBondContact O-N 2.79Å; D47-S50 VanDerWaalsContact O-N 3.1Å; D47-S50 PolarHBondContact O-OG 3.47Å; S50-R54 WeakPolarHBondContact O-CB 3.44Å; S50-R54 WeakPolarHBondContact O-CD 3.48Å; S50-R54 WeakPolarHBondContact O-CG 3.31Å; S50-R54 PolarHBondContact O-N 3.4Å; S50-R54 VanDerWaalsContact O-N 3.09Å
51	I	92.9	Very high	91.2	Very high	83 Å²	83	104.6 Å²	104.6	43%	0.426	56%	0.557	S	S	.	*	H	α-helix	trans	-68.2	-44.7	176	-65.8	168.7	0	0	0	110.9	T46 D47 K49 R54 A55	T46-I51 WeakPolarHBondContact O-CD1 3.5Å; D47-I51 WeakPolarHBondContact O-CG1 3.3Å; D47-I51 PolarHBondContact O-N 2.82Å; K49-I51 VanDerWaalsContact C-N 3.34Å; K49-I51 PolarHBondContact O-N 3.47Å; I51-R54 PolarHBondContact O-N 2.79Å; I51-A55 WeakPolarHBondContact O-CB 3.34Å; I51-A55 PolarHBondContact O-N 3.39Å
52	T	94	Very high	91.6	Very high	73 Å²	73	104.5 Å²	104.5	45%	0.448	55%	0.549	S	S	.	.	H	α-helix	trans	-67.2	-40.4	178.2	46.2	0	0	0	0	112.3	M48 K49 R54 A55 A56	M48-T52 WeakPolarHBondContact O-CB 3.32Å; M48-T52 WeakPolarHBondContact O-CG2 3.44Å; M48-T52 PolarHBondContact O-N 2.75Å; M48-T52 VanDerWaalsContact O-N 3.12Å; M48-T52 PolarHBondContact O-OG1 2.98Å; K49-T52 WeakPolarHBondContact CA-OG1 3.28Å; K49-T52 PolarHBondContact O-N 2.78Å; K49-T52 PolarHBondContact O-OG1 3.2Å; T52-R54 VanDerWaalsContact C-N 3.35Å; T52-R54 PolarHBondContact O-N 2.98Å; T52-A55 PolarHBondContact O-N 3.46Å; T52-A56 WeakPolarHBondContact O-CB 3.43Å; T52-A56 PolarHBondContact O-N 2.92Å
53	D	92.4	Very high	92.1	Very high	105 Å²	105	100.1 Å²	100.1	56%	0.561	53%	0.528	S	S	*	.	H	α-helix	trans	-61.4	-41	173.9	-73.5	-21.5	0	0	0	112	K49 A56 Q57	K49-D53 WeakPolarHBondContact O-CB 2.95Å; K49-D53 VanDerWaalsContact O-CG 3.28Å; K49-D53 PolarHBondContact O-N 3.4Å; D53-A56 PolarHBondContact O-N 2.95Å; D53-Q57 WeakPolarHBondContact O-CB 3.38Å; D53-Q57 PolarHBondContact O-N 3.28Å
54	R	91.1	Very high	92.6	Very high	110 Å²	110	97.4 Å²	97.4	42%	0.415	51%	0.513	S	S	.	.	H	α-helix	trans	-67.9	-39.3	176.1	-72.2	171.5	68.6	-170.3	0.2	112.5	S50 I51 T52 A56 Q57 T58	S50-R54 WeakPolarHBondContact O-CB 3.44Å; S50-R54 WeakPolarHBondContact O-CD 3.48Å; S50-R54 WeakPolarHBondContact O-CG 3.31Å; S50-R54 PolarHBondContact O-N 3.4Å; S50-R54 VanDerWaalsContact O-N 3.09Å; I51-R54 PolarHBondContact O-N 2.79Å; T52-R54 VanDerWaalsContact C-N 3.35Å; T52-R54 PolarHBondContact O-N 2.98Å; R54-A56 VanDerWaalsContact C-N 3.34Å; R54-Q57 WeakPolarHBondContact O-CB 3.36Å; R54-Q57 PolarHBondContact O-N 2.8Å; R54-T58 PolarHBondContact O-N 3.45Å; R54-T58 PolarHBondContact O-OG1 2.81Å; R54-T58 VanDerWaalsContact O-OG1 3.12Å
55	A	92.8	Very high	93.1	Very high	47 Å²	47	98.5 Å²	98.5	39%	0.388	51%	0.514	S	S	.	.	H	α-helix	trans	-65.1	-40.4	174.9	0	0	0	0	0	111.4	I51 T52 Q57 T58 L59	I51-A55 WeakPolarHBondContact O-CB 3.34Å; I51-A55 PolarHBondContact O-N 3.39Å; T52-A55 PolarHBondContact O-N 3.46Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; A55-T58 PolarHBondContact O-N 2.94Å; A55-L59 WeakPolarHBondContact O-CG 3.15Å; A55-L59 PolarHBondContact O-N 3.46Å
56	A	94.2	Very high	93.5	Very high	36 Å²	36	105.3 Å²	105.3	30%	0.298	53%	0.53	S	S	.	.	H	α-helix	trans	-62.6	-41.3	173.3	0	0	0	0	0	111.5	T52 D53 R54 T58 L59 L60	T52-A56 WeakPolarHBondContact O-CB 3.43Å; T52-A56 PolarHBondContact O-N 2.92Å; D53-A56 PolarHBondContact O-N 2.95Å; R54-A56 VanDerWaalsContact C-N 3.34Å; A56-T58 PolarHBondContact O-N 3.07Å; A56-L59 PolarHBondContact O-N 3.36Å; A56-L60 WeakPolarHBondContact O-CA 3.36Å; A56-L60 VanDerWaalsContact O-CB 3.24Å; A56-L60 WeakPolarHBondContact O-CB 3.26Å; A56-L60 PolarHBondContact O-N 2.85Å
57	Q	92.4	Very high	93.9	Very high	79 Å²	79	101.3 Å²	101.3	37%	0.369	51%	0.513	S	S	.	.	H	α-helix	trans	-57.5	-48.9	173.6	-172.9	-175.7	-16.2	0	0	111.4	D53 R54 A55 L59 W61 E63	D53-Q57 WeakPolarHBondContact O-CB 3.38Å; D53-Q57 PolarHBondContact O-N 3.28Å; R54-Q57 WeakPolarHBondContact O-CB 3.36Å; R54-Q57 PolarHBondContact O-N 2.8Å; A55-Q57 VanDerWaalsContact C-N 3.34Å; Q57-L59 PolarHBondContact O-N 2.92Å; Q57-W61 WeakPolarHBondContact O-CA 3.39Å; Q57-W61 PolarHBondContact O-N 3.32Å; Q57-E63 HydrophobicContact CG-CG 4.38Å; Q57-E63 VanDerWaalsContact CG-OE1 3.26Å; Q57-E63 WeakPolarHBondContact CG-OE1 3.49Å; Q57-E63 WeakPolarHBondContact CG-OE2 3.44Å; Q57-E63 PolarHBondContact NE2-OE1 2.74Å
58	T	93	Very high	94.1	Very high	100 Å²	100	100.8 Å²	100.8	61%	0.613	51%	0.509	S	S	*	.	H	α-helix	trans	-64	-39.1	179.5	-57.2	0	0	0	0	113.6	R54 A55 A56 W61	R54-T58 PolarHBondContact O-N 3.45Å; R54-T58 PolarHBondContact O-OG1 2.81Å; R54-T58 VanDerWaalsContact O-OG1 3.12Å; A55-T58 PolarHBondContact O-N 2.94Å; A56-T58 PolarHBondContact O-N 3.07Å; T58-W61 PolarHBondContact O-NE1 3.31Å
59	L	95.4	Very high	94.4	Very high	139 Å²	139	95.6 Å²	95.6	73%	0.728	49%	0.494	S	S	*	.	H	α-helix	trans	-86.7	-35.9	-175.3	-67.8	174.2	0	0	0	113.8	A55 A56 Q57	A55-L59 WeakPolarHBondContact O-CG 3.15Å; A55-L59 PolarHBondContact O-N 3.46Å; A56-L59 PolarHBondContact O-N 3.36Å; Q57-L59 PolarHBondContact O-N 2.92Å
60	L	95.4	Very high	94.7	Very high	117 Å²	117	92.4 Å²	92.4	61%	0.613	48%	0.483	S	S	*	.	H	α-helix	trans	-103.4	-0.3	-173.8	-57.9	177	0	0	0	113.3	A56 T62	A56-L60 WeakPolarHBondContact O-CA 3.36Å; A56-L60 VanDerWaalsContact O-CB 3.24Å; A56-L60 WeakPolarHBondContact O-CB 3.26Å; A56-L60 PolarHBondContact O-N 2.85Å; L60-T62 HydrophobicContact CB-CG2 4.01Å; L60-T62 PolarHBondContact O-N 3.2Å; L60-T62 VanDerWaalsContact O-N 3.1Å
61	W	95.1	Very high	95	Very high	151 Å²	151	95.5 Å²	95.5	57%	0.572	50%	0.501	S	S	*	.			trans	50.5	37.6	176.8	-58.3	-25.9	0	0	0	114	Q57 T58 E63 L64 F65	Q57-W61 WeakPolarHBondContact O-CA 3.39Å; Q57-W61 PolarHBondContact O-N 3.32Å; T58-W61 PolarHBondContact O-NE1 3.31Å; W61-E63 PolarHBondContact O-N 3.46Å; W61-L64 HydrophobicContact CB-CB 4.07Å; W61-L64 HydrophobicContact CB-CD1 3.84Å; W61-L64 HydrophobicContact CB-CG 4.04Å; W61-L64 HydrophobicContact CD2-CD1 4.21Å; W61-L64 HydrophobicContact CG-CD1 3.88Å; W61-L64 WeakPolarHBondContact O-CB 3.29Å; W61-L64 PolarHBondContact O-N 2.88Å; W61-F65 HydrophobicContact CB-CE2 4.48Å; W61-F65 WeakPolarHBondContact O-CD2 3.48Å; W61-F65 PolarHBondContact O-N 3.49Å; W61-F65 VanDerWaalsContact O-N 3.14Å
62	T	94.8	Very high	95.2	Very high	72 Å²	72	96.1 Å²	96.1	44%	0.442	50%	0.503	S	S	.	.	H	α-helix	trans	-57.2	-34.5	-174.2	57.2	0	0	0	0	113.1	L60 R66	L60-T62 HydrophobicContact CB-CG2 4.01Å; L60-T62 PolarHBondContact O-N 3.2Å; L60-T62 VanDerWaalsContact O-N 3.1Å; T62-R66 WeakPolarHBondContact O-CB 3.5Å; T62-R66 PolarHBondContact O-N 3.2Å
63	E	95.6	Very high	95.3	Very high	76 Å²	76	94.8 Å²	94.8	36%	0.355	50%	0.497	S	S	.	.	H	α-helix	trans	-70.6	-32.8	175.1	72.5	-84.3	-136.2	0	0	112.8	Q57 W61 R66 G67	Q57-E63 HydrophobicContact CG-CG 4.38Å; Q57-E63 VanDerWaalsContact CG-OE1 3.26Å; Q57-E63 WeakPolarHBondContact CG-OE1 3.49Å; Q57-E63 WeakPolarHBondContact CG-OE2 3.44Å; Q57-E63 PolarHBondContact NE2-OE1 2.74Å; W61-E63 PolarHBondContact O-N 3.46Å; E63-R66 PolarHBondContact O-N 3.48Å; E63-G67 PolarHBondContact O-N 3.44Å
64	L	96.4	Very high	95.5	Very high	107 Å²	107	96.7 Å²	96.7	56%	0.56	50%	0.497	S	S	*	.	H	α-helix	trans	-68.9	-44.1	176	-63.8	-174.2	0	0	0	110	W61 R66 G67 L68	W61-L64 HydrophobicContact CB-CB 4.07Å; W61-L64 HydrophobicContact CB-CD1 3.84Å; W61-L64 HydrophobicContact CB-CG 4.04Å; W61-L64 HydrophobicContact CD2-CD1 4.21Å; W61-L64 HydrophobicContact CG-CD1 3.88Å; W61-L64 WeakPolarHBondContact O-CB 3.29Å; W61-L64 PolarHBondContact O-N 2.88Å; L64-R66 VanDerWaalsContact C-N 3.34Å; L64-G67 PolarHBondContact O-N 2.94Å; L64-L68 WeakPolarHBondContact O-CB 3.25Å; L64-L68 PolarHBondContact O-N 3.17Å
65	F	96.4	Very high	95.8	Very high	135 Å²	135	97.6 Å²	97.6	59%	0.592	51%	0.51	S	S	*	.	H	α-helix	trans	-66.5	-36	174.9	-71.9	-68	0	0	0	112.5	W61 G67 L68 G69	W61-F65 HydrophobicContact CB-CE2 4.48Å; W61-F65 WeakPolarHBondContact O-CD2 3.48Å; W61-F65 PolarHBondContact O-N 3.49Å; W61-F65 VanDerWaalsContact O-N 3.14Å; F65-G67 VanDerWaalsContact C-N 3.33Å; F65-L68 HydrophobicContact CD1-CD2 4.35Å; F65-L68 PolarHBondContact O-N 3.17Å; F65-G69 PolarHBondContact O-N 3.44Å
66	R	96.4	Very high	96	Very high	215 Å²	215	103.4 Å²	103.4	81%	0.811	53%	0.527	S	S	*	.	H	α-helix	trans	-61.2	-42.2	170.7	178.2	-179	159.7	178.1	-5	111.6	T62 E63 L64 G69 M70	T62-R66 WeakPolarHBondContact O-CB 3.5Å; T62-R66 PolarHBondContact O-N 3.2Å; E63-R66 PolarHBondContact O-N 3.48Å; L64-R66 VanDerWaalsContact C-N 3.34Å; R66-G69 PolarHBondContact O-N 2.83Å; R66-M70 PolarHBondContact O-N 3.04Å
67	G	97.1	Very high	96.2	Very high	37 Å²	37	107.2 Å²	107.2	38%	0.381	53%	0.533	S	S	.	.	H	α-helix	trans	-64.4	-43.4	174.5	0	0	0	0	0	112.7	E63 L64 F65 G69 M70 T71	E63-G67 PolarHBondContact O-N 3.44Å; L64-G67 PolarHBondContact O-N 2.94Å; F65-G67 VanDerWaalsContact C-N 3.33Å; G67-G69 VanDerWaalsContact C-N 3.31Å; G67-G69 PolarHBondContact O-N 3.25Å; G67-M70 WeakPolarHBondContact O-CA 3.4Å; G67-M70 VanDerWaalsContact O-CB 3.31Å; G67-M70 WeakPolarHBondContact O-CB 3.21Å; G67-M70 PolarHBondContact O-N 2.89Å; G67-T71 PolarHBondContact O-N 3.28Å; G67-T71 VanDerWaalsContact O-N 3.08Å
68	L	97.3	Very high	96.4	Very high	99 Å²	99	112.2 Å²	112.2	52%	0.518	56%	0.557	S	S	.	*	H	α-helix	trans	-64.1	-36.2	176.1	-174	66.7	0	0	0	112	L64 F65 M70 T71 M72	L64-L68 WeakPolarHBondContact O-CB 3.25Å; L64-L68 PolarHBondContact O-N 3.17Å; F65-L68 HydrophobicContact CD1-CD2 4.35Å; F65-L68 PolarHBondContact O-N 3.17Å; L68-M70 VanDerWaalsContact C-N 3.26Å; L68-M70 PolarHBondContact O-N 3.48Å; L68-T71 WeakPolarHBondContact CA-OG1 3.48Å; L68-T71 PolarHBondContact O-N 3.12Å; L68-T71 PolarHBondContact O-OG1 3.39Å; L68-M72 WeakPolarHBondContact O-CB 3.43Å; L68-M72 PolarHBondContact O-N 3.28Å
69	G	97.5	Very high	96.6	Very high	42 Å²	42	111.9 Å²	111.9	43%	0.433	56%	0.556	S	S	.	*	H	α-helix	trans	-60.5	-37.3	171.3	0	0	0	0	0	112.1	F65 R66 G67 M72 S73	F65-G69 PolarHBondContact O-N 3.44Å; R66-G69 PolarHBondContact O-N 2.83Å; G67-G69 VanDerWaalsContact C-N 3.31Å; G67-G69 PolarHBondContact O-N 3.25Å; G69-M72 PolarHBondContact O-N 2.94Å; G69-S73 PolarHBondContact O-N 3.01Å
70	M	97.1	Very high	96.6	Very high	95 Å²	95	110.4 Å²	110.4	47%	0.468	56%	0.564	S	S	.	*	H	α-helix	trans	-67.8	-41.3	175	-171.8	63.3	-161.5	0	0	112	R66 G67 L68 M72 S73 Y74	R66-M70 PolarHBondContact O-N 3.04Å; G67-M70 WeakPolarHBondContact O-CA 3.4Å; G67-M70 VanDerWaalsContact O-CB 3.31Å; G67-M70 WeakPolarHBondContact O-CB 3.21Å; G67-M70 PolarHBondContact O-N 2.89Å; L68-M70 VanDerWaalsContact C-N 3.26Å; L68-M70 PolarHBondContact O-N 3.48Å; M70-M72 VanDerWaalsContact C-N 3.33Å; M70-S73 VanDerWaalsContact O-CB 3.32Å; M70-S73 WeakPolarHBondContact O-CB 3.16Å; M70-S73 PolarHBondContact O-N 3.49Å; M70-Y74 HydrophobicContact CE-CE2 3.78Å; M70-Y74 WeakPolarHBondContact O-CD2 3.17Å
71	T	96.8	Very high	96.7	Very high	87 Å²	87	110.3 Å²	110.3	53%	0.534	57%	0.569	S	S	.	*	H	α-helix	trans	-66.2	-38.6	175.2	58	0	0	0	0	111.4	G67 L68 S73 Y74	G67-T71 PolarHBondContact O-N 3.28Å; G67-T71 VanDerWaalsContact O-N 3.08Å; L68-T71 WeakPolarHBondContact CA-OG1 3.48Å; L68-T71 PolarHBondContact O-N 3.12Å; L68-T71 PolarHBondContact O-OG1 3.39Å; T71-S73 PolarHBondContact O-N 2.94Å; T71-Y74 WeakPolarHBondContact O-CB 3.34Å; T71-Y74 PolarHBondContact O-N 3.39Å
72	M	97.2	Very high	96.8	Very high	96 Å²	96	107.7 Å²	107.7	47%	0.473	57%	0.565	S	S	.	*	H	α-helix	trans	-60.4	-33.8	174.1	-170.4	65.1	72.9	0	0	111.7	L68 G69 M70 Y74 L75 F76	L68-M72 WeakPolarHBondContact O-CB 3.43Å; L68-M72 PolarHBondContact O-N 3.28Å; G69-M72 PolarHBondContact O-N 2.94Å; M70-M72 VanDerWaalsContact C-N 3.33Å; M72-Y74 PolarHBondContact O-N 3.28Å; M72-L75 VanDerWaalsContact O-CB 3.28Å; M72-L75 WeakPolarHBondContact O-CB 3.29Å; M72-L75 PolarHBondContact O-N 3.24Å; M72-L75 HydrophobicContact SD-CB 4.45Å; M72-L75 HydrophobicContact SD-CD2 3.78Å; M72-F76 HydrophobicContact CG-CE2 4.26Å
73	S	97	Very high	96.9	Very high	45 Å²	45	108.7 Å²	108.7	32%	0.315	57%	0.568	S	S	.	*	H	α-helix	trans	-60.3	-27	173.9	174.2	0	0	0	0	113.3	G69 M70 T71 L75 R77	G69-S73 PolarHBondContact O-N 3.01Å; M70-S73 VanDerWaalsContact O-CB 3.32Å; M70-S73 WeakPolarHBondContact O-CB 3.16Å; M70-S73 PolarHBondContact O-N 3.49Å; T71-S73 PolarHBondContact O-N 2.94Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-R77 PolarHBondContact OG-NH2 3Å
74	Y	97.4	Very high	96.9	Very high	145 Å²	145	111.1 Å²	111.1	57%	0.569	57%	0.574	S	S	*	*	H	α-helix	trans	-75.1	-22.9	176	-79.3	-95.7	0	0	0	113	M70 T71 M72 F76 R77	M70-Y74 HydrophobicContact CE-CE2 3.78Å; M70-Y74 WeakPolarHBondContact O-CD2 3.17Å; T71-Y74 WeakPolarHBondContact O-CB 3.34Å; T71-Y74 PolarHBondContact O-N 3.39Å; M72-Y74 PolarHBondContact O-N 3.28Å; Y74-F76 PolarHBondContact O-N 3.09Å; Y74-R77 VanDerWaalsContact CE1-NH1 3.34Å; Y74-R77 VanDerWaalsContact CG-NH1 3.33Å; Y74-R77 PolarHBondContact O-N 2.72Å
75	L	97.2	Very high	96.9	Very high	129 Å²	129	109.7 Å²	109.7	68%	0.675	57%	0.572	S	S	*	*	H	α-helix	trans	-62.7	-31	176.2	-175.3	64.1	0	0	0	112.2	M72 S73	M72-L75 VanDerWaalsContact O-CB 3.28Å; M72-L75 WeakPolarHBondContact O-CB 3.29Å; M72-L75 PolarHBondContact O-N 3.24Å; M72-L75 HydrophobicContact SD-CB 4.45Å; M72-L75 HydrophobicContact SD-CD2 3.78Å; S73-L75 VanDerWaalsContact C-N 3.34Å
76	F	97.3	Very high	96.9	Very high	170 Å²	170	111.5 Å²	111.5	75%	0.746	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	4.8	179.6	-57.6	-66.6	0	0	0	113.7	M72 Y74	M72-F76 HydrophobicContact CG-CE2 4.26Å; Y74-F76 PolarHBondContact O-N 3.09Å
77	R	97.4	Very high	96.9	Very high	115 Å²	115	106.5 Å²	106.5	43%	0.434	57%	0.565	S	S	.	*	S	Bend	trans	-90.4	148.9	171.9	-69.2	-172.3	179.4	109.5	8.4	109.7	S73 Y74	S73-R77 PolarHBondContact OG-NH2 3Å; Y74-R77 VanDerWaalsContact CE1-NH1 3.34Å; Y74-R77 VanDerWaalsContact CG-NH1 3.33Å; Y74-R77 PolarHBondContact O-N 2.72Å
78	E	96.9	Very high	96.8	Very high	185 Å²	185	109.9 Å²	109.9	86%	0.864	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-64.8	136	169.7	-170.1	175.9	178.7	0	0	110.2
79	P	96.6	Very high	96.7	Very high	92 Å²	92	106.9 Å²	106.9	60%	0.597	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-70.2	134.7	178.4	29	-34.5	0	0	0	110.9	T81	P79-T81 PolarHBondContact O-N 3.27Å; P79-T81 VanDerWaalsContact O-N 3.07Å
80	A	96	Very high	96.6	Very high	109 Å²	109	111.4 Å²	111.4	90%	0.901	58%	0.584	S	S	*	*			trans	-80.6	25.7	177.6	0	0	0	0	0	113.4
81	T	96.5	Very high	96.5	Very high	114 Å²	114	111.3 Å²	111.3	70%	0.699	59%	0.585	S	S	*	*			trans	-87.2	121.8	-177.7	51.9	0	0	0	0	110.6	P79	P79-T81 PolarHBondContact O-N 3.27Å; P79-T81 VanDerWaalsContact O-N 3.07Å
82	I	96.9	Very high	96.5	Very high	97 Å²	97	110.5 Å²	110.5	50%	0.497	58%	0.583	S	S	.	*			trans	-80.2	146.8	170.2	60.4	173.8	0	0	0	110.8	Y84	I82-Y84 PolarHBondContact O-N 3.48Å; I82-Y84 VanDerWaalsContact O-N 3.1Å
83	N	97.1	Very high	96.4	Very high	93 Å²	93	108.8 Å²	108.8	50%	0.497	58%	0.579	S	S	.	*			trans	-86.2	72.1	178.6	-171.3	9.1	0	0	0	112.2	F86 E87	N83-F86 PolarHBondContact O-N 2.71Å; N83-E87 HydrophobicContact CB-CG 4.47Å; N83-E87 PolarHBondContact N-OE2 3.33Å; N83-E87 PolarHBondContact O-N 3.33Å
84	Y	96	Very high	96.4	Very high	127 Å²	127	112.6 Å²	112.6	50%	0.498	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	131.6	173.4	-173.4	-95	0	0	0	110.1	I82 E172	I82-Y84 PolarHBondContact O-N 3.48Å; I82-Y84 VanDerWaalsContact O-N 3.1Å; Y84-E172 PolarHBondContact OH-OE1 3.39Å
85	P	96.4	Very high	96.5	Very high	77 Å²	77	108.9 Å²	108.9	50%	0.5	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	cis	-98.2	1	16.3	37.6	-37.2	0	0	0	116.3
86	F	96.9	Very high	96.5	Very high	172 Å²	172	108 Å²	108	75%	0.754	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-32.8	-176.4	-56.7	-70.8	0	0	0	112.6	N83	N83-F86 PolarHBondContact O-N 2.71Å
87	E	96.3	Very high	96.4	Very high	110 Å²	110	100.1 Å²	100.1	51%	0.514	53%	0.527	S	S	.	.	S	Bend	trans	-114.4	126.5	172.8	-64.5	172.9	176.8	0	0	108.9	N83	N83-E87 HydrophobicContact CB-CG 4.47Å; N83-E87 PolarHBondContact N-OE2 3.33Å; N83-E87 PolarHBondContact O-N 3.33Å
88	K	94.4	Very high	96.5	Very high	109 Å²	109	95 Å²	95	47%	0.474	51%	0.508	S	S	.	.			trans	-106.1	150.8	178.4	-65.5	-172.1	179.5	-156.6	0	110.6	F171 E172	K88-F171 HydrophobicContact CD-CZ 4.47Å; K88-E172 VanDerWaalsContact CE-OE1 3.28Å; K88-E172 WeakPolarHBondContact CE-OE1 3.08Å; K88-E172 IonicContact NZ-OE1 2.66Å; K88-E172 PolarHBondContact NZ-OE1 3.33Å; K88-E172 IonicContact NZ-OE2 2.88Å; K88-E172 PolarHBondContact NZ-OE2 3.49Å
89	G	95.4	Very high	96.5	Very high	35 Å²	35	86.4 Å²	86.4	36%	0.361	47%	0.468	S	S	.	.			trans	-61.5	149.8	174.7	0	0	0	0	0	111.6	L91	G89-L91 PolarHBondContact O-N 2.96Å
90	P	95.3	Very high	96.6	Very high	137 Å²	137	82.1 Å²	82.1	89%	0.89	44%	0.44	S	S	*	.			trans	-67	127.3	177.2	27.8	-33.8	0	0	0	110.4
91	L	95.3	Very high	96.7	Very high	93 Å²	93	77.1 Å²	77.1	49%	0.487	40%	0.398	S	S	.	.			trans	-111	142.5	177.7	-68.6	167.3	0	0	0	110.5	G89 F95 F171	G89-L91 PolarHBondContact O-N 2.96Å; L91-F95 HydrophobicContact CD2-CB 4.5Å; L91-F95 HydrophobicContact CD2-CD1 4.49Å; L91-F95 HydrophobicContact CD2-CD2 3.68Å; L91-F95 HydrophobicContact CD2-CE2 3.99Å; L91-F95 HydrophobicContact CD2-CG 3.95Å; L91-F171 HydrophobicContact CD1-CD1 3.97Å; L91-F171 HydrophobicContact CD1-CE1 3.49Å; L91-F171 VanDerWaalsContact CD1-CE1 3.49Å; L91-F171 HydrophobicContact CD1-CZ 4.36Å
92	S	96.4	Very high	96.7	Very high	70 Å²	70	72.5 Å²	72.5	49%	0.49	37%	0.368	S	S	.	.			trans	-82.3	154.2	172.6	74.2	0	0	0	0	110.9	R94 F95	S92-R94 PolarHBondContact O-N 3.31Å; S92-R94 PolarHBondContact OG-N 3.19Å; S92-F95 WeakPolarHBondContact O-CB 3.5Å; S92-F95 PolarHBondContact O-N 2.89Å; S92-F95 PolarHBondContact OG-N 3.08Å
93	P	96.4	Very high	96.7	Very high	61 Å²	61	71.4 Å²	71.4	40%	0.396	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.4	172.9	-24.8	34.7	0	0	0	114.7	F95 N202 A205	P93-F95 VanDerWaalsContact C-N 3.32Å; P93-N202 HydrophobicContact CB-CB 4.33Å; P93-A205 HydrophobicContact CB-CB 4.2Å; P93-A205 HydrophobicContact CG-CB 4.32Å
94	R	96.9	Very high	96.7	Very high	124 Å²	124	70.8 Å²	70.8	47%	0.468	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6.2	177.2	-64.1	-177.9	176.5	92.2	16.3	113.5	S92 D206	S92-R94 PolarHBondContact O-N 3.31Å; S92-R94 PolarHBondContact OG-N 3.19Å; R94-D206 WeakPolarHBondContact CG-OD1 3.32Å; R94-D206 IonicContact CZ-OD1 3.83Å; R94-D206 IonicContact NE-OD1 3.1Å; R94-D206 PolarHBondContact NE-OD1 2.96Å; R94-D206 IonicContact NH2-OD1 2.98Å; R94-D206 PolarHBondContact NH2-OD1 3.09Å
95	F	97.8	Very high	96.6	Very high	67 Å²	67	71 Å²	71	29%	0.294	37%	0.366	S	S	.	.			trans	-58.9	144.9	178.5	177.1	-101.8	0	0	0	110.5	L91 S92 P93 F171	L91-F95 HydrophobicContact CD2-CB 4.5Å; L91-F95 HydrophobicContact CD2-CD1 4.49Å; L91-F95 HydrophobicContact CD2-CD2 3.68Å; L91-F95 HydrophobicContact CD2-CE2 3.99Å; L91-F95 HydrophobicContact CD2-CG 3.95Å; S92-F95 WeakPolarHBondContact O-CB 3.5Å; S92-F95 PolarHBondContact O-N 2.89Å; S92-F95 PolarHBondContact OG-N 3.08Å; P93-F95 VanDerWaalsContact C-N 3.32Å; F95-F171 HydrophobicContact CE1-CB 3.86Å; F95-F171 HydrophobicContact CE1-CD1 4.04Å; F95-F171 HydrophobicContact CE1-CG 4.34Å; F95-F171 HydrophobicContact CZ-CB 3.75Å; F95-F171 HydrophobicContact CZ-CD1 4.26Å; F95-F171 HydrophobicContact CZ-CG 4.24Å
96	R	97.7	Very high	96.4	Very high	112 Å²	112	72 Å²	72	42%	0.423	38%	0.375	S	S	.	.			trans	-115.2	109.5	-175.1	-64.4	-169.9	-124.3	-96.8	4.4	109.3	E167	R96-E167 HydrophobicContact CB-CB 4.36Å; R96-E167 WeakPolarHBondContact CB-OE2 3.17Å; R96-E167 WeakPolarHBondContact CD-OE2 3.44Å; R96-E167 WeakPolarHBondContact CG-OE2 3.38Å
97	G	96.6	Very high	96.2	Very high	3 Å²	3	65.8 Å²	65.8	3%	0.031	36%	0.359	C	S	.	.			trans	-129.7	-138.8	-177.1	0	0	0	0	0	113.2	Y152 G168 N170	G97-Y152 WeakPolarHBondContact O-CD1 3.37Å; G97-G168 WeakPolarHBondContact CA-O 3.12Å; G97-G168 PolarHBondContact N-O 3.43Å; G97-N170 CarbonylContact C-O 3.49Å; G97-N170 VanDerWaalsContact CA-O 3.29Å; G97-N170 WeakPolarHBondContact CA-O 3.37Å
98	E	97.8	Very high	96.1	Very high	9 Å²	9	64.2 Å²	64.2	4%	0.042	35%	0.352	C	S	.	.	S	Bend	trans	-61.9	134.9	-176.9	-164.6	-178.3	-175.7	0	0	111.4	G168 N170 F173 Y183 N191	E98-G168 WeakPolarHBondContact O-CA 3.24Å; E98-G168 PolarHBondContact O-N 2.96Å; E98-N170 HydrophobicContact CB-CB 4.02Å; E98-N170 PolarHBondContact N-O 3.27Å; E98-N170 PolarHBondContact OE2-ND2 3.1Å; E98-F173 HydrophobicContact CB-CD1 3.75Å; E98-F173 HydrophobicContact CB-CE1 3.59Å; E98-F173 HydrophobicContact CB-CG 4.43Å; E98-F173 HydrophobicContact CB-CZ 4.15Å; E98-F173 HydrophobicContact CG-CD1 4.02Å; E98-F173 HydrophobicContact CG-CD2 4.41Å; E98-F173 HydrophobicContact CG-CE1 4.08Å; E98-F173 HydrophobicContact CG-CE2 4.47Å; E98-F173 HydrophobicContact CG-CG 4.2Å; E98-F173 HydrophobicContact CG-CZ 4.31Å; E98-Y183 HydrophobicContact CG-CE2 4.02Å; E98-Y183 PolarHBondContact OE1-OH 3.16Å; E98-N191 VanDerWaalsContact CD-ND2 3.27Å; E98-N191 PolarHBondContact OE1-ND2 3.21Å; E98-N191 PolarHBondContact OE1-OD1 2.83Å
99	H	98.2	Very high	96.2	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	145	-179.2	-62.7	59.3	0	0	0	111.2	I145 M147 C150 Y152 V166 E167 L188 N191	H99-I145 HydrophobicContact CB-CD1 4.04Å; H99-M147 HydrophobicContact CB-CE 3.7Å; H99-C150 PolarHBondContact CE1-SG 3.48Å; H99-Y152 AromaticContact CE1-CD1 3.81Å; H99-Y152 AromaticContact CE1-CE1 3.89Å; H99-Y152 AromaticContact ND1-CE1 3.97Å; H99-V166 WeakPolarHBondContact CA-O 3.36Å; H99-E167 IonicContact CE1-OE1 3.13Å; H99-E167 IonicContact NE2-OE1 3.98Å; H99-L188 HydrophobicContact CB-CD2 3.77Å; H99-L188 WeakPolarHBondContact O-CD2 3.48Å; H99-N191 PolarHBondContact O-ND2 2.92Å
100	A	97.9	Very high	96.2	Very high	2 Å²	2	60.3 Å²	60.3	2%	0.017	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	143.5	177.2	0	0	0	0	0	111.3	V166 N191 I199	A100-V166 HydrophobicContact CB-CG2 4.06Å; A100-V166 PolarHBondContact N-O 3.05Å; A100-V166 PolarHBondContact O-N 2.57Å; A100-N191 HydrophobicContact CB-CB 4.2Å; A100-I199 HydrophobicContact CB-CD1 3.79Å
101	L	98.1	Very high	96.3	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.6	169.2	-78	174.5	0	0	0	109.5	Y143 A164 I165 K185 L188 L189 G192	L101-Y143 HydrophobicContact CD1-CD1 3.82Å; L101-Y143 HydrophobicContact CD1-CE1 4.28Å; L101-Y143 HydrophobicContact CD1-CG 4.21Å; L101-Y143 HydrophobicContact CD2-CD1 4.43Å; L101-Y143 HydrophobicContact CD2-CE1 4.13Å; L101-Y143 HydrophobicContact CG-CD1 4.42Å; L101-Y143 HydrophobicContact CG-CE1 4.41Å; L101-A164 WeakPolarHBondContact CA-O 2.92Å; L101-I165 HydrophobicContact CD2-CB 4.11Å; L101-K185 HydrophobicContact CD1-CG 4.12Å; L101-L188 HydrophobicContact CB-CB 4.25Å; L101-L188 HydrophobicContact CD1-CB 3.89Å; L101-L188 HydrophobicContact CD1-CD1 4.38Å; L101-L188 HydrophobicContact CG-CB 3.89Å; L101-L188 PolarHBondContact N-O 3.44Å; L101-L189 HydrophobicContact CB-CD2 3.72Å; L101-L189 HydrophobicContact CB-CG 4.17Å; L101-L189 HydrophobicContact CD1-CD2 4.43Å; L101-L189 HydrophobicContact CD1-CG 4.29Å; L101-G192 WeakPolarHBondContact O-CA 3.32Å
102	R	97	Very high	96.3	Very high	18 Å²	18	53 Å²	53	7%	0.068	28%	0.278	C	S	.	.			trans	-94.1	161.6	-175.5	-61.7	-174.5	75.9	162	-8.8	113.2	R110 A164 V166 E196 I199 A200	R102-R110 PolarHBondContact O-N 3.06Å; R102-R110 VanDerWaalsContact O-N 3.08Å; R102-A164 PolarHBondContact N-O 3.2Å; R102-V166 HydrophobicContact CG-CG1 4.31Å; R102-V166 HydrophobicContact CG-CG2 3.77Å; R102-E196 WeakPolarHBondContact CG-OE2 3.14Å; R102-E196 IonicContact CZ-OE1 2.85Å; R102-E196 IonicContact CZ-OE2 3.21Å; R102-E196 IonicContact NE-OE1 3.54Å; R102-E196 PolarHBondContact NE-OE1 2.89Å; R102-E196 IonicContact NE-OE2 3.57Å; R102-E196 PolarHBondContact NE-OE2 3.46Å; R102-E196 VanDerWaalsContact NH2-CD 3.35Å; R102-E196 IonicContact NH2-OE1 2.8Å; R102-E196 PolarHBondContact NH2-OE1 3.3Å; R102-E196 IonicContact NH2-OE2 2.75Å; R102-I199 PolarHBondContact NH1-O 3.4Å; R102-A200 VanDerWaalsContact NH2-CA 3.32Å; R102-A200 VanDerWaalsContact NH2-CB 3.33Å
103	R	97	Very high	96.3	Very high	74 Å²	74	49.7 Å²	49.7	28%	0.279	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-108.9	158.5	173.9	-63.4	174.6	-173.4	-79.7	-2.3	111.6	G107 E108 R110 D193	R103-G107 WeakPolarHBondContact CD-O 3.46Å; R103-G107 PolarHBondContact NH1-O 2.9Å; R103-E108 CarbonylContact C-O 3.5Å; R103-E108 VanDerWaalsContact CA-O 3.3Å; R103-E108 WeakPolarHBondContact CA-O 3.09Å; R103-E108 WeakPolarHBondContact CB-O 3.23Å; R103-R110 PolarHBondContact O-NE 3.01Å; R103-D193 VanDerWaalsContact CD-OD1 3.28Å; R103-D193 WeakPolarHBondContact CD-OD1 3.42Å; R103-D193 IonicContact CZ-OD1 3.78Å; R103-D193 IonicContact CZ-OD2 3.79Å; R103-D193 IonicContact NE-OD1 2.7Å; R103-D193 PolarHBondContact NE-OD1 3.49Å; R103-D193 IonicContact NE-OD2 2.76Å; R103-D193 PolarHBondContact NE-OD2 3.41Å; R103-D193 IonicContact NH2-OD1 3.22Å; R103-D193 IonicContact NH2-OD2 3.84Å; R103-D193 PolarHBondContact NH2-OD2 3.09Å
104	Y	96.4	Very high	96.3	Very high	80 Å²	80	48.3 Å²	48.3	31%	0.314	25%	0.246	S	C	.	.			trans	-68.9	161	163.1	-73.7	-71.4	0	0	0	109.8	S106 G107 E108 R110	Y104-S106 WeakPolarHBondContact CB-OG 3.34Å; Y104-S106 PolarHBondContact O-N 2.91Å; Y104-G107 PolarHBondContact O-N 3.3Å; Y104-E108 HydrophobicContact CD2-CB 4.35Å; Y104-E108 WeakPolarHBondContact CD2-O 3.19Å; Y104-E108 PolarHBondContact N-O 3.48Å; Y104-R110 HydrophobicContact CD1-CG 4.05Å; Y104-R110 HydrophobicContact CD2-CG 3.88Å; Y104-R110 HydrophobicContact CE1-CG 4.04Å; Y104-R110 HydrophobicContact CE2-CB 4.19Å; Y104-R110 HydrophobicContact CE2-CG 3.9Å; Y104-R110 HydrophobicContact CG-CG 3.97Å
105	P	93.9	Very high	96.3	Very high	130 Å²	130	46.3 Å²	46.3	84%	0.844	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.8	172.1	-24.3	34.9	0	0	0	114	G107	P105-G107 VanDerWaalsContact C-N 3.28Å
106	S	93.6	Very high	96.3	Very high	100 Å²	100	47.3 Å²	47.3	70%	0.699	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.9	172.9	56.8	0	0	0	0	114.3	Y104	Y104-S106 WeakPolarHBondContact CB-OG 3.34Å; Y104-S106 PolarHBondContact O-N 2.91Å
107	G	92.3	Very high	96.2	Very high	40 Å²	40	42.2 Å²	42.2	41%	0.412	23%	0.23	S	C	.	.	S	Bend	trans	90.7	-9.6	-176	0	0	0	0	0	114.9	R103 Y104 P105	R103-G107 WeakPolarHBondContact CD-O 3.46Å; R103-G107 PolarHBondContact NH1-O 2.9Å; Y104-G107 PolarHBondContact O-N 3.3Å; P105-G107 VanDerWaalsContact C-N 3.28Å
108	E	93.9	Very high	96.2	Very high	77 Å²	77	44.7 Å²	44.7	36%	0.36	24%	0.241	S	C	.	.			trans	-74	143.3	177.7	-177.7	60.3	-165.7	0	0	111.3	R103 Y104 R139	R103-E108 CarbonylContact C-O 3.5Å; R103-E108 VanDerWaalsContact CA-O 3.3Å; R103-E108 WeakPolarHBondContact CA-O 3.09Å; R103-E108 WeakPolarHBondContact CB-O 3.23Å; Y104-E108 HydrophobicContact CD2-CB 4.35Å; Y104-E108 WeakPolarHBondContact CD2-O 3.19Å; Y104-E108 PolarHBondContact N-O 3.48Å; E108-R139 IonicContact OE1-CZ 4Å; E108-R139 IonicContact OE1-NE 2.67Å; E108-R139 PolarHBondContact OE1-NE 3.21Å; E108-R139 IonicContact OE1-NH2 3.34Å; E108-R139 PolarHBondContact OE1-NH2 2.77Å
109	E	95.3	Very high	96.2	Very high	15 Å²	15	48.5 Å²	48.5	7%	0.07	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-65.2	139.8	176.6	65	-180	-170.5	0	0	112.3	C111 R139 K185 L189	E109-C111 VanDerWaalsContact C-N 3.32Å; E109-C111 PolarHBondContact O-N 3.49Å; E109-R139 PolarHBondContact O-NH1 3.08Å; E109-R139 WeakPolarHBondContact OE1-CD 3.26Å; E109-K185 IonicContact OE1-NZ 2.83Å; E109-K185 PolarHBondContact OE1-NZ 3.24Å; E109-K185 WeakPolarHBondContact OE2-CE 3.39Å; E109-K185 IonicContact OE2-NZ 3.21Å; E109-K185 PolarHBondContact OE2-NZ 3.41Å; E109-L189 HydrophobicContact CB-CD2 4.47Å
110	R	96.4	Very high	96.2	Very high	48 Å²	48	52.2 Å²	52.2	18%	0.181	29%	0.293	C	S	.	.			trans	-71.5	-28.2	-179.6	-73.7	176.6	-179.2	-98.4	0.6	113.2	R102 R103 Y104 I112 V162 D163 A164	R102-R110 PolarHBondContact O-N 3.06Å; R102-R110 VanDerWaalsContact O-N 3.08Å; R103-R110 PolarHBondContact O-NE 3.01Å; Y104-R110 HydrophobicContact CD1-CG 4.05Å; Y104-R110 HydrophobicContact CD2-CG 3.88Å; Y104-R110 HydrophobicContact CE1-CG 4.04Å; Y104-R110 HydrophobicContact CE2-CB 4.19Å; Y104-R110 HydrophobicContact CE2-CG 3.9Å; Y104-R110 HydrophobicContact CG-CG 3.97Å; R110-I112 PolarHBondContact O-N 3.21Å; R110-V162 WeakPolarHBondContact O-CG2 3.36Å; R110-D163 WeakPolarHBondContact CD-O 3.46Å; R110-A164 HydrophobicContact CB-CB 3.67Å
111	C	97	Very high	96.2	Very high	11 Å²	11	53 Å²	53	7%	0.074	30%	0.298	C	S	.	.			trans	-63.8	121.9	-172.5	-172.3	0	0	0	0	112.5	E109 A113 R139 A164	E109-C111 VanDerWaalsContact C-N 3.32Å; E109-C111 PolarHBondContact O-N 3.49Å; C111-A113 PolarHBondContact SG-N 3.07Å; C111-R139 WeakPolarHBondContact O-CD 3.5Å; C111-R139 PolarHBondContact O-NH1 2.88Å; C111-A164 HydrophobicContact CB-CB 3.94Å
112	I	95.9	Very high	96.2	Very high	65 Å²	65	56.2 Å²	56.2	33%	0.333	32%	0.319	S	S	.	.			trans	-102.9	17.9	175.5	59.5	167.4	0	0	0	112.9	R110 C114 R138 V162	R110-I112 PolarHBondContact O-N 3.21Å; I112-C114 HydrophobicContact CD1-CB 4.37Å; I112-C114 HydrophobicContact CG1-CB 4.16Å; I112-C114 PolarHBondContact O-N 2.66Å; I112-C114 VanDerWaalsContact O-N 3.12Å; I112-R138 PolarHBondContact O-NE 3.17Å; I112-R138 PolarHBondContact O-NH2 3.5Å; I112-V162 HydrophobicContact CD1-CG1 4.02Å; I112-V162 HydrophobicContact CG1-CG1 4.38Å; I112-V162 HydrophobicContact CG1-CG2 4.23Å
113	A	96.6	Very high	96.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	33%	0.33	C	S	.	.			trans	54.6	29	-179.5	0	0	0	0	0	115.2	C111 K115 A130 R138 T140	C111-A113 PolarHBondContact SG-N 3.07Å; A113-K115 WeakPolarHBondContact O-CG 3.28Å; A113-K115 PolarHBondContact O-N 2.97Å; A113-A130 HydrophobicContact CB-CB 3.54Å; A113-R138 PolarHBondContact O-NH1 2.76Å; A113-R138 VanDerWaalsContact O-NH1 3.17Å; A113-R138 PolarHBondContact O-NH2 2.96Å; A113-T140 HydrophobicContact CB-CG2 3.45Å; A113-T140 VanDerWaalsContact CB-CG2 3.45Å
114	C	96.6	Very high	96.2	Very high	32 Å²	32	61 Å²	61	22%	0.216	35%	0.352	C	S	.	.			trans	-58.7	-21.3	-173.8	67.8	0	0	0	0	115.2	I112 L116 R138	I112-C114 HydrophobicContact CD1-CB 4.37Å; I112-C114 HydrophobicContact CG1-CB 4.16Å; I112-C114 PolarHBondContact O-N 2.66Å; I112-C114 VanDerWaalsContact O-N 3.12Å; C114-L116 HydrophobicContact CB-CD1 3.72Å; C114-L116 WeakPolarHBondContact O-CD1 3.45Å; C114-L116 PolarHBondContact O-N 3.2Å; C114-R138 VanDerWaalsContact CA-NH2 3.25Å
115	K	96.1	Very high	96.3	Very high	82 Å²	82	57.5 Å²	57.5	36%	0.357	34%	0.339	S	S	.	.			trans	62.7	10.6	-176.9	-53.8	-166.1	174.8	-152.9	0	115.9	A113 E118 A119 I128	A113-K115 WeakPolarHBondContact O-CG 3.28Å; A113-K115 PolarHBondContact O-N 2.97Å; K115-E118 WeakPolarHBondContact CD-OE2 3.2Å; K115-E118 PolarHBondContact O-N 3.19Å; K115-A119 PolarHBondContact O-N 3.32Å; K115-A119 VanDerWaalsContact O-N 3.16Å; K115-I128 VanDerWaalsContact CE-O 3.23Å; K115-I128 WeakPolarHBondContact CE-O 3.46Å; K115-I128 HydrophobicContact CG-CB 4.25Å; K115-I128 HydrophobicContact CG-CG2 4.15Å; K115-I128 PolarHBondContact NZ-O 2.75Å
116	L	97	Very high	96.5	Very high	88 Å²	88	51.7 Å²	51.7	46%	0.461	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-40.2	174.2	-84.7	75.9	0	0	0	111.9	C114 E118 A119 I120	C114-L116 HydrophobicContact CB-CD1 3.72Å; C114-L116 WeakPolarHBondContact O-CD1 3.45Å; C114-L116 PolarHBondContact O-N 3.2Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 2.89Å; L116-A119 PolarHBondContact O-N 2.97Å; L116-I120 PolarHBondContact O-N 2.76Å
117	C	97.1	Very high	96.7	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-65.9	-32.7	179	49.3	0	0	0	0	113	C121 I126 I128 Y143 C156 I165	C117-C121 WeakPolarHBondContact O-CB 3.37Å; C117-C121 PolarHBondContact O-N 2.7Å; C117-I126 HydrophobicContact CB-CD1 4.26Å; C117-I128 VanDerWaalsContact SG-CD1 3.58Å; C117-Y143 PolarHBondContact SG-OH 3.45Å; C117-Y143 VanDerWaalsContact SG-OH 3.32Å; C117-C156 HydrophobicContact CB-CB 3.98Å; C117-I165 HydrophobicContact CB-CG2 4.3Å
118	E	96.9	Very high	96.9	Very high	54 Å²	54	47.9 Å²	47.9	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-67.1	-43.3	171.9	174.7	174.8	-143.9	0	0	111.2	K115 L116 I126 I128	K115-E118 WeakPolarHBondContact CD-OE2 3.2Å; K115-E118 PolarHBondContact O-N 3.19Å; L116-E118 VanDerWaalsContact C-N 3.31Å; L116-E118 PolarHBondContact O-N 2.89Å; E118-I126 HydrophobicContact CB-CG2 4.42Å; E118-I128 HydrophobicContact CB-CD1 3.81Å; E118-I128 HydrophobicContact CB-CG1 4.18Å; E118-I128 PolarHBondContact OE1-N 3.29Å
119	A	97.1	Very high	97	Very high	89 Å²	89	48.9 Å²	48.9	74%	0.736	27%	0.27	S	S	*	.	H	α-helix	trans	-68.5	-37.3	-179.9	0	0	0	0	0	113.7	K115 L116	K115-A119 PolarHBondContact O-N 3.32Å; K115-A119 VanDerWaalsContact O-N 3.16Å; L116-A119 PolarHBondContact O-N 2.97Å
120	I	98.1	Very high	97	Very high	81 Å²	81	49.8 Å²	49.8	42%	0.415	28%	0.28	S	S	.	.	H	α-helix	trans	-82.9	-16	-177.4	-158.9	60.9	0	0	0	113.2	L116 P122 F155 A159	L116-I120 PolarHBondContact O-N 2.76Å; I120-P122 VanDerWaalsContact O-CD 3.24Å; I120-P122 WeakPolarHBondContact O-CD 3.44Å; I120-P122 VanDerWaalsContact O-N 3.1Å; I120-F155 HydrophobicContact CG1-CB 4.11Å; I120-F155 HydrophobicContact CG2-CB 4.17Å; I120-A159 HydrophobicContact CB-CB 4.33Å; I120-A159 HydrophobicContact CG1-CB 4.46Å; I120-A159 HydrophobicContact CG2-CB 3.76Å
121	C	98.2	Very high	96.8	Very high	18 Å²	18	53 Å²	53	12%	0.122	30%	0.297	C	S	.	.			trans	-63.4	113.6	-175.8	-175	0	0	0	0	110.2	C117 A123 Q124 A125 I126	C117-C121 WeakPolarHBondContact O-CB 3.37Å; C117-C121 PolarHBondContact O-N 2.7Å; C121-A123 PolarHBondContact O-N 3.25Å; C121-Q124 PolarHBondContact O-N 2.76Å; C121-Q124 VanDerWaalsContact O-N 3.1Å; C121-Q124 PolarHBondContact SG-N 2.88Å; C121-A125 PolarHBondContact SG-N 2.94Å; C121-I126 HydrophobicContact CB-CD1 4.36Å; C121-I126 HydrophobicContact CB-CG1 4.39Å
122	P	98.1	Very high	96.6	Very high	73 Å²	73	57.7 Å²	57.7	47%	0.474	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.5	-173.3	26.4	-33.7	0	0	0	112.4	I120 I151 F155	I120-P122 VanDerWaalsContact O-CD 3.24Å; I120-P122 WeakPolarHBondContact O-CD 3.44Å; I120-P122 VanDerWaalsContact O-N 3.1Å; P122-I151 HydrophobicContact CB-CD1 4.41Å; P122-I151 HydrophobicContact CG-CD1 3.59Å; P122-I151 HydrophobicContact CG-CG1 4.09Å; P122-F155 HydrophobicContact CG-CD2 4.24Å; P122-F155 HydrophobicContact CG-CE2 4.46Å
123	A	97.4	Very high	96.3	Very high	36 Å²	36	61.4 Å²	61.4	30%	0.298	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2	177.9	0	0	0	0	0	113.6	C121 A125 K149 I151	C121-A123 PolarHBondContact O-N 3.25Å; A123-A125 PolarHBondContact O-N 3.05Å; A123-A125 VanDerWaalsContact O-N 3.16Å; A123-K149 WeakPolarHBondContact CB-O 3.31Å; A123-I151 HydrophobicContact CB-CG2 4.23Å
124	Q	97.2	Very high	95.9	Very high	157 Å²	157	66.6 Å²	66.6	73%	0.734	37%	0.373	S	S	*	.			trans	49.6	41.1	-177.9	-59.5	-178.1	-30.1	0	0	113.2	C121 I126	C121-Q124 PolarHBondContact O-N 2.76Å; C121-Q124 VanDerWaalsContact O-N 3.1Å; C121-Q124 PolarHBondContact SG-N 2.88Å; Q124-I126 VanDerWaalsContact C-N 3.32Å
125	A	97.8	Very high	95.5	Very high	5 Å²	5	71 Å²	71	4%	0.041	39%	0.394	C	S	.	.			trans	-78.2	-16.2	-178	0	0	0	0	0	113.6	C121 A123 I145 D146 K149 C150	C121-A125 PolarHBondContact SG-N 2.94Å; A123-A125 PolarHBondContact O-N 3.05Å; A123-A125 VanDerWaalsContact O-N 3.16Å; A125-I145 WeakPolarHBondContact O-CA 3.46Å; A125-D146 PolarHBondContact O-N 2.96Å; A125-K149 HydrophobicContact CB-CB 3.76Å; A125-C150 HydrophobicContact CB-CB 4.34Å
126	I	97.8	Very high	95.1	Very high	9 Å²	9	70 Å²	70	5%	0.046	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.3	-173	-52.8	-178.9	0	0	0	108.9	C117 E118 C121 Q124 I128 Y143 D144 I145 C156	C117-I126 HydrophobicContact CB-CD1 4.26Å; E118-I126 HydrophobicContact CB-CG2 4.42Å; C121-I126 HydrophobicContact CB-CD1 4.36Å; C121-I126 HydrophobicContact CB-CG1 4.39Å; Q124-I126 VanDerWaalsContact C-N 3.32Å; I126-I128 HydrophobicContact CG2-CD1 3.92Å; I126-I128 HydrophobicContact CG2-CG1 3.76Å; I126-Y143 HydrophobicContact CG2-CE1 4.43Å; I126-Y143 HydrophobicContact CG2-CE2 4.35Å; I126-D144 WeakPolarHBondContact CA-O 3.41Å; I126-I145 HydrophobicContact CG1-CG1 4.16Å; I126-C156 HydrophobicContact CD1-CB 4.05Å
127	T	97.5	Very high	94.8	Very high	56 Å²	56	67.5 Å²	67.5	34%	0.344	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128.3	170.9	-50.5	0	0	0	0	110.6	D144	T127-D144 PolarHBondContact N-O 3Å; T127-D144 PolarHBondContact O-N 2.93Å
128	I	97.4	Very high	94.5	Very high	3 Å²	3	73 Å²	73	2%	0.015	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128	-172.6	-52.4	175.5	0	0	0	111.6	K115 C117 E118 I126 T140 R142 Y143	K115-I128 VanDerWaalsContact CE-O 3.23Å; K115-I128 WeakPolarHBondContact CE-O 3.46Å; K115-I128 HydrophobicContact CG-CB 4.25Å; K115-I128 HydrophobicContact CG-CG2 4.15Å; K115-I128 PolarHBondContact NZ-O 2.75Å; C117-I128 VanDerWaalsContact SG-CD1 3.58Å; E118-I128 HydrophobicContact CB-CD1 3.81Å; E118-I128 HydrophobicContact CB-CG1 4.18Å; E118-I128 PolarHBondContact OE1-N 3.29Å; I126-I128 HydrophobicContact CG2-CD1 3.92Å; I126-I128 HydrophobicContact CG2-CG1 3.76Å; I128-T140 HydrophobicContact CG2-CG2 3.61Å; I128-R142 WeakPolarHBondContact CA-O 3.44Å; I128-Y143 HydrophobicContact CB-CD2 4.5Å; I128-Y143 HydrophobicContact CD1-CD2 3.81Å; I128-Y143 HydrophobicContact CD1-CE2 3.37Å; I128-Y143 HydrophobicContact CG1-CD2 3.65Å; I128-Y143 HydrophobicContact CG1-CE2 3.7Å; I128-Y143 HydrophobicContact CG2-CD2 4.21Å
129	E	96.1	Very high	94.4	Very high	99 Å²	99	71.9 Å²	71.9	46%	0.463	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.8	167.8	-61.6	175.2	178.8	0	0	109.7	T140 T141 R142	E129-T140 CarbonylContact O-C 3.59Å; E129-T140 VanDerWaalsContact O-CA 3.25Å; E129-T140 WeakPolarHBondContact O-CA 3.36Å; E129-T141 PolarHBondContact O-N 3.39Å; E129-T141 PolarHBondContact O-OG1 3.33Å; E129-R142 HydrophobicContact CB-CB 3.87Å; E129-R142 HydrophobicContact CG-CB 4.12Å; E129-R142 PolarHBondContact N-O 2.95Å
130	A	94.6	Very high	94.2	Very high	33 Å²	33	68 Å²	68	27%	0.273	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.8	-169.9	0	0	0	0	0	110.1	A113 R139	A113-A130 HydrophobicContact CB-CB 3.54Å; A130-R139 WeakPolarHBondContact CA-O 3.04Å
131	E	92.3	Very high	94	Very high	117 Å²	117	67.4 Å²	67.4	55%	0.547	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.9	175.8	-63	-176.2	176.6	0	0	109.8	R133 R139 T141	E131-R133 PolarHBondContact O-N 2.89Å; E131-R139 PolarHBondContact N-O 3.27Å; E131-R139 VanDerWaalsContact N-O 3.09Å; E131-R139 PolarHBondContact O-N 3.32Å; E131-R139 VanDerWaalsContact O-O 3.09Å; E131-T141 HydrophobicContact CB-CG2 3.68Å; E131-T141 HydrophobicContact CG-CG2 3.68Å
132	P	92.6	Very high	93.8	Very high	108 Å²	108	70.9 Å²	70.9	70%	0.701	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	128.2	170.7	28.2	-31.9	0	0	0	109.7
133	R	90.1	Very high	93.8	Very high	143 Å²	143	67.4 Å²	67.4	54%	0.54	37%	0.367	S	S	.	.			trans	-70.2	165.4	170.8	-164.7	175	-177.8	89.9	1.7	110	E131 D135 G136 S137 R139	E131-R133 PolarHBondContact O-N 2.89Å; R133-D135 IonicContact NE-OD2 2.79Å; R133-D135 PolarHBondContact O-N 3Å; R133-G136 PolarHBondContact O-N 2.66Å; R133-S137 PolarHBondContact N-O 2.93Å; R133-R139 HydrophobicContact CB-CG 4.47Å
134	S	87.6	Confident	93.8	Very high	109 Å²	109	66.8 Å²	66.8	76%	0.762	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	-32.7	171	53.1	0	0	0	0	113.9	G136	S134-G136 VanDerWaalsContact C-N 3.25Å; S134-G136 PolarHBondContact O-N 2.72Å
135	D	87.8	Confident	93.8	Very high	124 Å²	124	59.4 Å²	59.4	66%	0.663	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	5.9	-175.1	-45.3	-32.4	0	0	0	112.3	R133 S137	R133-D135 IonicContact NE-OD2 2.79Å; R133-D135 PolarHBondContact O-N 3Å; D135-S137 PolarHBondContact O-N 3.45Å
136	G	88.9	Confident	93.9	Very high	62 Å²	62	60.1 Å²	60.1	64%	0.639	33%	0.327	S	S	*	.	S	Bend	trans	76.9	-7.1	-177.1	0	0	0	0	0	114.5	R133 S134	R133-G136 PolarHBondContact O-N 2.66Å; S134-G136 VanDerWaalsContact C-N 3.25Å; S134-G136 PolarHBondContact O-N 2.72Å
137	S	89.9	Confident	93.8	Very high	35 Å²	35	60.1 Å²	60.1	25%	0.245	33%	0.327	C	S	.	.			trans	-70.2	140	175.7	67.5	0	0	0	0	111.5	R133 D135 R139	R133-S137 PolarHBondContact N-O 2.93Å; D135-S137 PolarHBondContact O-N 3.45Å; S137-R139 PolarHBondContact O-N 3.04Å
138	R	92	Very high	93.8	Very high	123 Å²	123	60.6 Å²	60.6	46%	0.464	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.1	176.4	-161.3	172.4	88.7	105.5	-9.8	111	I112 A113 C114	I112-R138 PolarHBondContact O-NE 3.17Å; I112-R138 PolarHBondContact O-NH2 3.5Å; A113-R138 PolarHBondContact O-NH1 2.76Å; A113-R138 VanDerWaalsContact O-NH1 3.17Å; A113-R138 PolarHBondContact O-NH2 2.96Å; C114-R138 VanDerWaalsContact CA-NH2 3.25Å
139	R	93.3	Very high	93.8	Very high	30 Å²	30	65.9 Å²	65.9	11%	0.113	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	164.2	-177.4	-64.5	-58	-174.4	-154.2	-1	111.5	E108 E109 C111 A130 E131 R133 S137	E108-R139 IonicContact OE1-CZ 4Å; E108-R139 IonicContact OE1-NE 2.67Å; E108-R139 PolarHBondContact OE1-NE 3.21Å; E108-R139 IonicContact OE1-NH2 3.34Å; E108-R139 PolarHBondContact OE1-NH2 2.77Å; E109-R139 PolarHBondContact O-NH1 3.08Å; E109-R139 WeakPolarHBondContact OE1-CD 3.26Å; C111-R139 WeakPolarHBondContact O-CD 3.5Å; C111-R139 PolarHBondContact O-NH1 2.88Å; A130-R139 WeakPolarHBondContact CA-O 3.04Å; E131-R139 PolarHBondContact N-O 3.27Å; E131-R139 VanDerWaalsContact N-O 3.09Å; E131-R139 PolarHBondContact O-N 3.32Å; E131-R139 VanDerWaalsContact O-O 3.09Å; R133-R139 HydrophobicContact CB-CG 4.47Å; S137-R139 PolarHBondContact O-N 3.04Å
140	T	93.6	Very high	93.9	Very high	7 Å²	7	62 Å²	62	4%	0.043	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.9	176.7	52.6	0	0	0	0	110.1	A113 I128 E129 Y143 K185	A113-T140 HydrophobicContact CB-CG2 3.45Å; A113-T140 VanDerWaalsContact CB-CG2 3.45Å; I128-T140 HydrophobicContact CG2-CG2 3.61Å; E129-T140 CarbonylContact O-C 3.59Å; E129-T140 VanDerWaalsContact O-CA 3.25Å; E129-T140 WeakPolarHBondContact O-CA 3.36Å; T140-Y143 HydrophobicContact CG2-CD2 4.11Å; T140-K185 PolarHBondContact O-NZ 3.05Å; T140-K185 WeakPolarHBondContact OG1-CD 3.29Å; T140-K185 WeakPolarHBondContact OG1-CE 3.26Å; T140-K185 PolarHBondContact OG1-NZ 3.42Å
141	T	93.1	Very high	94.1	Very high	69 Å²	69	65.5 Å²	65.5	42%	0.423	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-43.1	167.9	45.9	0	0	0	0	109.9	E129 E131	E129-T141 PolarHBondContact O-N 3.39Å; E129-T141 PolarHBondContact O-OG1 3.33Å; E131-T141 HydrophobicContact CB-CG2 3.68Å; E131-T141 HydrophobicContact CG-CG2 3.68Å
142	R	95.4	Very high	94.4	Very high	90 Å²	90	63.3 Å²	63.3	34%	0.34	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.4	175.1	-166.4	173.3	179.4	-98.7	-10.1	109.9	I128 E129 D144	I128-R142 WeakPolarHBondContact CA-O 3.44Å; E129-R142 HydrophobicContact CB-CB 3.87Å; E129-R142 HydrophobicContact CG-CB 4.12Å; E129-R142 PolarHBondContact N-O 2.95Å; R142-D144 WeakPolarHBondContact CG-OD2 3.43Å; R142-D144 IonicContact CZ-OD2 3.91Å; R142-D144 IonicContact NE-OD2 3.39Å; R142-D144 PolarHBondContact NE-OD2 2.85Å; R142-D144 IonicContact NH1-OD2 2.77Å; R142-D144 IonicContact NH2-OD2 2.72Å; R142-D144 PolarHBondContact NH2-OD2 2.68Å
143	Y	97.6	Very high	94.6	Very high	1 Å²	1	59.8 Å²	59.8	0%	0.004	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	91.8	173.8	-169.8	-79	0	0	0	107	L101 C117 I126 I128 T140 I145 I165 N184 K185 L188	L101-Y143 HydrophobicContact CD1-CD1 3.82Å; L101-Y143 HydrophobicContact CD1-CE1 4.28Å; L101-Y143 HydrophobicContact CD1-CG 4.21Å; L101-Y143 HydrophobicContact CD2-CD1 4.43Å; L101-Y143 HydrophobicContact CD2-CE1 4.13Å; L101-Y143 HydrophobicContact CG-CD1 4.42Å; L101-Y143 HydrophobicContact CG-CE1 4.41Å; C117-Y143 PolarHBondContact SG-OH 3.45Å; C117-Y143 VanDerWaalsContact SG-OH 3.32Å; I126-Y143 HydrophobicContact CG2-CE1 4.43Å; I126-Y143 HydrophobicContact CG2-CE2 4.35Å; I128-Y143 HydrophobicContact CB-CD2 4.5Å; I128-Y143 HydrophobicContact CD1-CD2 3.81Å; I128-Y143 HydrophobicContact CD1-CE2 3.37Å; I128-Y143 HydrophobicContact CG1-CD2 3.65Å; I128-Y143 HydrophobicContact CG1-CE2 3.7Å; I128-Y143 HydrophobicContact CG2-CD2 4.21Å; T140-Y143 HydrophobicContact CG2-CD2 4.11Å; Y143-I145 HydrophobicContact CE1-CD1 3.96Å; Y143-I145 HydrophobicContact CE1-CG1 4.02Å; Y143-I165 HydrophobicContact CE1-CD1 3.9Å; Y143-I165 WeakPolarHBondContact OH-CD1 3.04Å; Y143-N184 CarbonylContact O-C 3.46Å; Y143-K185 WeakPolarHBondContact O-CA 2.95Å; Y143-K185 PolarHBondContact O-N 3.01Å; Y143-L188 HydrophobicContact CD1-CD1 3.6Å; Y143-L188 HydrophobicContact CE1-CD1 3.89Å
144	D	97.6	Very high	94.9	Very high	23 Å²	23	53 Å²	53	12%	0.123	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.6	-171.4	-60.7	-4.2	0	0	0	109.5	I126 T127 R142 Y183 N184	I126-D144 WeakPolarHBondContact CA-O 3.41Å; T127-D144 PolarHBondContact N-O 3Å; T127-D144 PolarHBondContact O-N 2.93Å; R142-D144 WeakPolarHBondContact CG-OD2 3.43Å; R142-D144 IonicContact CZ-OD2 3.91Å; R142-D144 IonicContact NE-OD2 3.39Å; R142-D144 PolarHBondContact NE-OD2 2.85Å; R142-D144 IonicContact NH1-OD2 2.77Å; R142-D144 IonicContact NH2-OD2 2.72Å; R142-D144 PolarHBondContact NH2-OD2 2.68Å; D144-Y183 CarbonylContact C-O 3.53Å; D144-Y183 WeakPolarHBondContact CA-O 3.06Å; D144-N184 WeakPolarHBondContact OD1-CA 3.24Å
145	I	98	Very high	95.4	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.4	176.4	-54.9	-178.4	0	0	0	108.7	H99 A125 I126 Y143 M147 I165 Y183 L188	H99-I145 HydrophobicContact CB-CD1 4.04Å; A125-I145 WeakPolarHBondContact O-CA 3.46Å; I126-I145 HydrophobicContact CG1-CG1 4.16Å; Y143-I145 HydrophobicContact CE1-CD1 3.96Å; Y143-I145 HydrophobicContact CE1-CG1 4.02Å; I145-M147 HydrophobicContact CB-CE 4.02Å; I145-M147 HydrophobicContact CD1-CE 4.42Å; I145-M147 HydrophobicContact CG2-CE 3.75Å; I145-M147 HydrophobicContact CG2-SD 4.01Å; I145-M147 PolarHBondContact O-N 3.45Å; I145-I165 HydrophobicContact CD1-CD1 3.51Å; I145-Y183 PolarHBondContact N-O 2.9Å; I145-Y183 PolarHBondContact O-N 3.06Å; I145-L188 HydrophobicContact CB-CD1 4.47Å; I145-L188 HydrophobicContact CD1-CD1 3.77Å; I145-L188 HydrophobicContact CD1-CD2 4.01Å; I145-L188 HydrophobicContact CG1-CD1 3.81Å
146	D	97.8	Very high	95.9	Very high	20 Å²	20	46.7 Å²	46.7	11%	0.107	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	103.4	170.4	-173.1	-14.9	0	0	0	109.9	A125 T148 K149 C150 L182	A125-D146 PolarHBondContact O-N 2.96Å; D146-T148 PolarHBondContact O-N 2.97Å; D146-T148 WeakPolarHBondContact OD1-CB 3.33Å; D146-T148 PolarHBondContact OD1-N 3.46Å; D146-T148 PolarHBondContact OD1-OG1 3.49Å; D146-K149 HydrophobicContact CB-CB 4.32Å; D146-K149 HydrophobicContact CB-CD 4.13Å; D146-K149 HydrophobicContact CB-CG 4.32Å; D146-K149 PolarHBondContact O-N 3.37Å; D146-K149 VanDerWaalsContact O-N 3.16Å; D146-K149 VanDerWaalsContact OD2-CD 3.31Å; D146-K149 WeakPolarHBondContact OD2-CD 3.39Å; D146-K149 WeakPolarHBondContact OD2-CE 3.29Å; D146-K149 IonicContact OD2-NZ 3.4Å; D146-K149 PolarHBondContact OD2-NZ 3.03Å; D146-K149 VanDerWaalsContact OD2-NZ 3.13Å; D146-C150 PolarHBondContact O-N 3.37Å; D146-L182 HydrophobicContact CB-CD2 4Å; D146-L182 VanDerWaalsContact CG-CD2 3.41Å; D146-L182 WeakPolarHBondContact OD1-CD2 3.2Å
147	M	97.4	Very high	96.2	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.044	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.7	-179.3	-64.3	-58.8	167.3	0	0	112.9	H99 I145 C150 Y152 L181 Y183 L188	H99-M147 HydrophobicContact CB-CE 3.7Å; I145-M147 HydrophobicContact CB-CE 4.02Å; I145-M147 HydrophobicContact CD1-CE 4.42Å; I145-M147 HydrophobicContact CG2-CE 3.75Å; I145-M147 HydrophobicContact CG2-SD 4.01Å; I145-M147 PolarHBondContact O-N 3.45Å; M147-C150 HydrophobicContact SD-CB 4.45Å; M147-Y152 HydrophobicContact SD-CE1 4.45Å; M147-L181 HydrophobicContact CB-CB 4.18Å; M147-L181 HydrophobicContact CB-CD2 4.29Å; M147-L181 WeakPolarHBondContact CB-O 3.4Å; M147-L181 WeakPolarHBondContact CG-O 3.42Å; M147-L181 PolarHBondContact N-O 3.22Å; M147-Y183 HydrophobicContact CE-CD2 3.18Å; M147-Y183 HydrophobicContact CE-CE2 3.57Å; M147-Y183 HydrophobicContact CE-CG 3.92Å; M147-Y183 HydrophobicContact CG-CD1 4.29Å; M147-Y183 HydrophobicContact CG-CD2 4Å; M147-Y183 HydrophobicContact CG-CE1 4.24Å; M147-Y183 HydrophobicContact CG-CE2 3.96Å; M147-Y183 HydrophobicContact CG-CG 4.15Å; M147-Y183 HydrophobicContact SD-CD2 4.42Å; M147-Y183 HydrophobicContact SD-CE2 4.45Å; M147-L188 HydrophobicContact CE-CD2 4.11Å
148	T	96.9	Very high	96.6	Very high	66 Å²	66	48.9 Å²	48.9	41%	0.405	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-25.4	176.2	75.3	0	0	0	0	112.7	D146 H178 L181	D146-T148 PolarHBondContact O-N 2.97Å; D146-T148 WeakPolarHBondContact OD1-CB 3.33Å; D146-T148 PolarHBondContact OD1-N 3.46Å; D146-T148 PolarHBondContact OD1-OG1 3.49Å; T148-H178 WeakPolarHBondContact CG2-NE2 3.47Å; T148-L181 HydrophobicContact CG2-CB 3.87Å; T148-L181 HydrophobicContact CG2-CD1 3.85Å
149	K	97.9	Very high	96.8	Very high	113 Å²	113	44.3 Å²	44.3	49%	0.491	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-27.9	172.7	-67.3	175.9	-171	150.9	0	112.3	A123 A125 D146 I151	A123-K149 WeakPolarHBondContact CB-O 3.31Å; A125-K149 HydrophobicContact CB-CB 3.76Å; D146-K149 HydrophobicContact CB-CB 4.32Å; D146-K149 HydrophobicContact CB-CD 4.13Å; D146-K149 HydrophobicContact CB-CG 4.32Å; D146-K149 PolarHBondContact O-N 3.37Å; D146-K149 VanDerWaalsContact O-N 3.16Å; D146-K149 VanDerWaalsContact OD2-CD 3.31Å; D146-K149 WeakPolarHBondContact OD2-CD 3.39Å; D146-K149 WeakPolarHBondContact OD2-CE 3.29Å; D146-K149 IonicContact OD2-NZ 3.4Å; D146-K149 PolarHBondContact OD2-NZ 3.03Å; D146-K149 VanDerWaalsContact OD2-NZ 3.13Å; K149-I151 PolarHBondContact O-N 3.48Å
150	C	97.9	Very high	97	Very high	19 Å²	19	43.4 Å²	43.4	13%	0.128	22%	0.219	C	C	.	.			trans	-60.9	132.1	-177.5	-169.7	0	0	0	0	111.6	H99 A125 D146 M147 Y152	H99-C150 PolarHBondContact CE1-SG 3.48Å; A125-C150 HydrophobicContact CB-CB 4.34Å; D146-C150 PolarHBondContact O-N 3.37Å; M147-C150 HydrophobicContact SD-CB 4.45Å; C150-Y152 HydrophobicContact CB-CE2 4.39Å; C150-Y152 PolarHBondContact SG-N 3.21Å; C150-Y152 VanDerWaalsContact SG-N 3.44Å
151	I	98.1	Very high	97.2	Very high	106 Å²	106	47 Å²	47	54%	0.544	24%	0.243	S	C	.	.			trans	-101.2	7.8	177.7	66.1	165.2	0	0	0	113.2	P122 A123 K149 C153	P122-I151 HydrophobicContact CB-CD1 4.41Å; P122-I151 HydrophobicContact CG-CD1 3.59Å; P122-I151 HydrophobicContact CG-CG1 4.09Å; A123-I151 HydrophobicContact CB-CG2 4.23Å; K149-I151 PolarHBondContact O-N 3.48Å; I151-C153 VanDerWaalsContact C-N 3.31Å; I151-C153 HydrophobicContact CD1-CB 4.1Å; I151-C153 HydrophobicContact CG1-CB 4.01Å; I151-C153 PolarHBondContact O-N 3.1Å
152	Y	98.1	Very high	97.3	Very high	70 Å²	70	45.2 Å²	45.2	28%	0.275	23%	0.231	S	C	.	.			trans	50.8	46.5	177.9	-58.8	-89.4	0	0	0	113.7	G97 H99 M147 C150 E167 F173	G97-Y152 WeakPolarHBondContact O-CD1 3.37Å; H99-Y152 AromaticContact CE1-CD1 3.81Å; H99-Y152 AromaticContact CE1-CE1 3.89Å; H99-Y152 AromaticContact ND1-CE1 3.97Å; M147-Y152 HydrophobicContact SD-CE1 4.45Å; C150-Y152 HydrophobicContact CB-CE2 4.39Å; C150-Y152 PolarHBondContact SG-N 3.21Å; C150-Y152 VanDerWaalsContact SG-N 3.44Å; Y152-E167 WeakPolarHBondContact CA-OE1 3.09Å; Y152-F173 HydrophobicContact CE1-CZ 4.06Å; Y152-F173 WeakPolarHBondContact OH-CZ 3.32Å
153	C	97.5	Very high	97.4	Very high	34 Å²	34	43.9 Å²	43.9	23%	0.23	23%	0.231	C	C	.	.			trans	-85.2	-18.5	-176.9	64.3	0	0	0	0	114.3	I151 F155	I151-C153 VanDerWaalsContact C-N 3.31Å; I151-C153 HydrophobicContact CD1-CB 4.1Å; I151-C153 HydrophobicContact CG1-CB 4.01Å; I151-C153 PolarHBondContact O-N 3.1Å; C153-F155 VanDerWaalsContact C-N 3.33Å; C153-F155 HydrophobicContact CB-CG 4.48Å; C153-F155 PolarHBondContact O-N 3.26Å
154	G	96.6	Very high	97.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	79.4	0.4	-176.4	0	0	0	0	0	116.8	C156 Q157 E158 E167	G154-C156 VanDerWaalsContact C-N 3.25Å; G154-C156 PolarHBondContact O-N 3.24Å; G154-Q157 WeakPolarHBondContact O-CB 3.47Å; G154-Q157 PolarHBondContact O-N 3.2Å; G154-Q157 VanDerWaalsContact O-N 3.1Å; G154-E158 PolarHBondContact O-N 3.42Å; G154-E167 WeakPolarHBondContact CA-OE1 3.12Å; G154-E167 WeakPolarHBondContact CA-OE2 3.44Å; G154-E167 PolarHBondContact N-OE1 3.16Å; G154-E167 PolarHBondContact N-OE2 3.48Å
155	F	98	Very high	97.4	Very high	93 Å²	93	43 Å²	43	41%	0.408	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-31.6	-179.8	-66.7	-16	0	0	0	113.3	I120 P122 C153 Q157 E158 A159	I120-F155 HydrophobicContact CG1-CB 4.11Å; I120-F155 HydrophobicContact CG2-CB 4.17Å; P122-F155 HydrophobicContact CG-CD2 4.24Å; P122-F155 HydrophobicContact CG-CE2 4.46Å; C153-F155 VanDerWaalsContact C-N 3.33Å; C153-F155 HydrophobicContact CB-CG 4.48Å; C153-F155 PolarHBondContact O-N 3.26Å; F155-Q157 VanDerWaalsContact C-N 3.31Å; F155-Q157 PolarHBondContact O-N 2.88Å; F155-E158 PolarHBondContact O-N 3.3Å; F155-A159 WeakPolarHBondContact O-CB 3.44Å; F155-A159 PolarHBondContact O-N 3.1Å
156	C	97.4	Very high	97.4	Very high	8 Å²	8	42.9 Å²	42.9	5%	0.054	23%	0.226	C	C	.	.	H	α-helix	trans	-66.3	-34.1	176.4	56.5	0	0	0	0	112.4	C117 I126 G154 C160 I165	C117-C156 HydrophobicContact CB-CB 3.98Å; I126-C156 HydrophobicContact CD1-CB 4.05Å; G154-C156 VanDerWaalsContact C-N 3.25Å; G154-C156 PolarHBondContact O-N 3.24Å; C156-C160 WeakPolarHBondContact O-CB 3.43Å; C156-C160 PolarHBondContact O-N 3.39Å; C156-I165 HydrophobicContact CB-CG2 4.1Å; C156-I165 WeakPolarHBondContact O-CG2 2.98Å
157	Q	97.1	Very high	97.4	Very high	20 Å²	20	42.4 Å²	42.4	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-69.9	-43.6	176.9	174.8	176.9	-52	0	0	111.3	G154 F155	G154-Q157 WeakPolarHBondContact O-CB 3.47Å; G154-Q157 PolarHBondContact O-N 3.2Å; G154-Q157 VanDerWaalsContact O-N 3.1Å; F155-Q157 VanDerWaalsContact C-N 3.31Å; F155-Q157 PolarHBondContact O-N 2.88Å
158	E	96.6	Very high	97.3	Very high	123 Å²	123	42.2 Å²	42.2	58%	0.575	22%	0.224	S	C	*	.	H	α-helix	trans	-76.1	-33.4	-179.4	-66.7	174	-168.7	0	0	112.4	G154 F155 C160	G154-E158 PolarHBondContact O-N 3.42Å; F155-E158 PolarHBondContact O-N 3.3Å; E158-C160 VanDerWaalsContact C-N 3.3Å; E158-C160 PolarHBondContact O-N 3.16Å
159	A	97.3	Very high	97.3	Very high	28 Å²	28	39.8 Å²	39.8	23%	0.231	21%	0.209	C	C	.	.	H	α-helix	trans	-78.5	-12.1	-179.8	0	0	0	0	0	113.8	I120 F155 P161	I120-A159 HydrophobicContact CB-CB 4.33Å; I120-A159 HydrophobicContact CG1-CB 4.46Å; I120-A159 HydrophobicContact CG2-CB 3.76Å; F155-A159 WeakPolarHBondContact O-CB 3.44Å; F155-A159 PolarHBondContact O-N 3.1Å; A159-P161 WeakPolarHBondContact O-CD 3.43Å
160	C	97.6	Very high	97.2	Very high	11 Å²	11	35.4 Å²	35.4	7%	0.074	19%	0.191	C	C	.	.			trans	-76.6	117.2	-176.2	-165	0	0	0	0	110.7	C156 E158 V162 D163 A164 I165	C156-C160 WeakPolarHBondContact O-CB 3.43Å; C156-C160 PolarHBondContact O-N 3.39Å; E158-C160 VanDerWaalsContact C-N 3.3Å; E158-C160 PolarHBondContact O-N 3.16Å; C160-V162 PolarHBondContact O-N 3.3Å; C160-V162 VanDerWaalsContact O-N 3.08Å; C160-D163 PolarHBondContact O-N 3Å; C160-A164 PolarHBondContact SG-N 3.02Å; C160-I165 HydrophobicContact CB-CG2 4.22Å
161	P	96.9	Very high	97.2	Very high	83 Å²	83	38.4 Å²	38.4	54%	0.539	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-7.6	-176.2	29.8	-36.8	0	0	0	114.2	A159	A159-P161 WeakPolarHBondContact O-CD 3.43Å
162	V	96.6	Very high	97.1	Very high	30 Å²	30	37 Å²	37	18%	0.182	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	10.6	-172.5	-67.1	0	0	0	0	112.4	R110 I112 C160 A164	R110-V162 WeakPolarHBondContact O-CG2 3.36Å; I112-V162 HydrophobicContact CD1-CG1 4.02Å; I112-V162 HydrophobicContact CG1-CG1 4.38Å; I112-V162 HydrophobicContact CG1-CG2 4.23Å; C160-V162 PolarHBondContact O-N 3.3Å; C160-V162 VanDerWaalsContact O-N 3.08Å; V162-A164 HydrophobicContact CG2-CB 3.89Å; V162-A164 PolarHBondContact O-N 3.44Å
163	D	96	Very high	97	Very high	63 Å²	63	35.4 Å²	35.4	34%	0.337	19%	0.188	S	C	.	.			trans	49.4	43.6	-175.4	-65.5	-38.1	0	0	0	113.2	R110 C160	R110-D163 WeakPolarHBondContact CD-O 3.46Å; C160-D163 PolarHBondContact O-N 3Å
164	A	97.4	Very high	96.9	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	22%	0.218	C	C	.	.			trans	-79.6	-47.6	-178	0	0	0	0	0	113.2	L101 R102 R110 C111 C160 V162	L101-A164 WeakPolarHBondContact CA-O 2.92Å; R102-A164 PolarHBondContact N-O 3.2Å; R110-A164 HydrophobicContact CB-CB 3.67Å; C111-A164 HydrophobicContact CB-CB 3.94Å; C160-A164 PolarHBondContact SG-N 3.02Å; V162-A164 HydrophobicContact CG2-CB 3.89Å; V162-A164 PolarHBondContact O-N 3.44Å
165	I	97.6	Very high	96.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.6	175	-176	160.3	0	0	0	109.2	L101 C117 Y143 I145 C156 C160	L101-I165 HydrophobicContact CD2-CB 4.11Å; C117-I165 HydrophobicContact CB-CG2 4.3Å; Y143-I165 HydrophobicContact CE1-CD1 3.9Å; Y143-I165 WeakPolarHBondContact OH-CD1 3.04Å; I145-I165 HydrophobicContact CD1-CD1 3.51Å; C156-I165 HydrophobicContact CB-CG2 4.1Å; C156-I165 WeakPolarHBondContact O-CG2 2.98Å; C160-I165 HydrophobicContact CB-CG2 4.22Å
166	V	97.8	Very high	96.9	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.4	180	-62.7	0	0	0	0	109.2	H99 A100 R102 I199 I203	H99-V166 WeakPolarHBondContact CA-O 3.36Å; A100-V166 HydrophobicContact CB-CG2 4.06Å; A100-V166 PolarHBondContact N-O 3.05Å; A100-V166 PolarHBondContact O-N 2.57Å; R102-V166 HydrophobicContact CG-CG1 4.31Å; R102-V166 HydrophobicContact CG-CG2 3.77Å; V166-I199 HydrophobicContact CB-CG2 4.22Å; V166-I199 HydrophobicContact CG1-CG2 4.48Å; V166-I199 HydrophobicContact CG2-CD1 4Å; V166-I199 HydrophobicContact CG2-CG2 3.63Å; V166-I203 HydrophobicContact CG1-CD1 4Å
167	E	97.8	Very high	96.9	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	112.8	165.2	-73.7	176	163.1	0	0	107.5	R96 H99 Y152 G154	R96-E167 HydrophobicContact CB-CB 4.36Å; R96-E167 WeakPolarHBondContact CB-OE2 3.17Å; R96-E167 WeakPolarHBondContact CD-OE2 3.44Å; R96-E167 WeakPolarHBondContact CG-OE2 3.38Å; H99-E167 IonicContact CE1-OE1 3.13Å; H99-E167 IonicContact NE2-OE1 3.98Å; Y152-E167 WeakPolarHBondContact CA-OE1 3.09Å; G154-E167 WeakPolarHBondContact CA-OE1 3.12Å; G154-E167 WeakPolarHBondContact CA-OE2 3.44Å; G154-E167 PolarHBondContact N-OE1 3.16Å; G154-E167 PolarHBondContact N-OE2 3.48Å
168	G	95.3	Very high	96.9	Very high	5 Å²	5	52.4 Å²	52.4	5%	0.052	28%	0.284	C	S	.	.			trans	-78.3	175.8	-177.5	0	0	0	0	0	113.3	G97 E98 N170	G97-G168 WeakPolarHBondContact CA-O 3.12Å; G97-G168 PolarHBondContact N-O 3.43Å; E98-G168 WeakPolarHBondContact O-CA 3.24Å; E98-G168 PolarHBondContact O-N 2.96Å; G168-N170 VanDerWaalsContact C-N 3.33Å; G168-N170 PolarHBondContact O-N 3.21Å
169	P	96.8	Very high	96.8	Very high	14 Å²	14	52.3 Å²	52.3	9%	0.091	28%	0.284	C	S	.	.	S	Bend	trans	-77.9	-16.4	-178.1	31.7	-35.5	0	0	0	113.4	W195 E198	P169-W195 HydrophobicContact CG-CE3 4.27Å; P169-E198 HydrophobicContact CB-CG 4.41Å; P169-E198 WeakPolarHBondContact CB-OE1 3.42Å; P169-E198 HydrophobicContact CG-CB 4.24Å; P169-E198 HydrophobicContact CG-CG 3.81Å
170	N	97.2	Very high	96.8	Very high	22 Å²	22	56 Å²	56	12%	0.118	30%	0.296	C	S	.	.			trans	-71.6	132.8	-174.8	-171.4	30.2	0	0	0	111.6	G97 E98 G168 E172 W195	G97-N170 CarbonylContact C-O 3.49Å; G97-N170 VanDerWaalsContact CA-O 3.29Å; G97-N170 WeakPolarHBondContact CA-O 3.37Å; E98-N170 HydrophobicContact CB-CB 4.02Å; E98-N170 PolarHBondContact N-O 3.27Å; E98-N170 PolarHBondContact OE2-ND2 3.1Å; G168-N170 VanDerWaalsContact C-N 3.33Å; G168-N170 PolarHBondContact O-N 3.21Å; N170-E172 PolarHBondContact OD1-N 3.07Å; N170-W195 HydrophobicContact CB-CH2 4.4Å; N170-W195 HydrophobicContact CB-CZ2 3.72Å
171	F	96.8	Very high	96.7	Very high	81 Å²	81	57.2 Å²	57.2	36%	0.355	30%	0.302	S	S	.	.			trans	-126.9	-7.4	175.6	59.5	-86.1	0	0	0	112.9	K88 L91 F95 F173	K88-F171 HydrophobicContact CD-CZ 4.47Å; L91-F171 HydrophobicContact CD1-CD1 3.97Å; L91-F171 HydrophobicContact CD1-CE1 3.49Å; L91-F171 VanDerWaalsContact CD1-CE1 3.49Å; L91-F171 HydrophobicContact CD1-CZ 4.36Å; F95-F171 HydrophobicContact CE1-CB 3.86Å; F95-F171 HydrophobicContact CE1-CD1 4.04Å; F95-F171 HydrophobicContact CE1-CG 4.34Å; F95-F171 HydrophobicContact CZ-CB 3.75Å; F95-F171 HydrophobicContact CZ-CD1 4.26Å; F95-F171 HydrophobicContact CZ-CG 4.24Å; F171-F173 PolarHBondContact O-N 3.25Å
172	E	96.3	Very high	96.7	Very high	76 Å²	76	56.9 Å²	56.9	36%	0.355	30%	0.295	S	S	.	.			trans	-101	66.9	-174.8	-63.7	169.2	-169.6	0	0	109.9	Y84 K88 N170	Y84-E172 PolarHBondContact OH-OE1 3.39Å; K88-E172 VanDerWaalsContact CE-OE1 3.28Å; K88-E172 WeakPolarHBondContact CE-OE1 3.08Å; K88-E172 IonicContact NZ-OE1 2.66Å; K88-E172 PolarHBondContact NZ-OE1 3.33Å; K88-E172 IonicContact NZ-OE2 2.88Å; K88-E172 PolarHBondContact NZ-OE2 3.49Å; N170-E172 PolarHBondContact OD1-N 3.07Å
173	F	96.4	Very high	96.8	Very high	37 Å²	37	55.8 Å²	55.8	16%	0.162	29%	0.287	C	S	.	.			trans	-130.8	30.8	-178.4	61	-88.2	0	0	0	112.9	E98 Y152 F171 T175 Y183	E98-F173 HydrophobicContact CB-CD1 3.75Å; E98-F173 HydrophobicContact CB-CE1 3.59Å; E98-F173 HydrophobicContact CB-CG 4.43Å; E98-F173 HydrophobicContact CB-CZ 4.15Å; E98-F173 HydrophobicContact CG-CD1 4.02Å; E98-F173 HydrophobicContact CG-CD2 4.41Å; E98-F173 HydrophobicContact CG-CE1 4.08Å; E98-F173 HydrophobicContact CG-CE2 4.47Å; E98-F173 HydrophobicContact CG-CG 4.2Å; E98-F173 HydrophobicContact CG-CZ 4.31Å; Y152-F173 HydrophobicContact CE1-CZ 4.06Å; Y152-F173 WeakPolarHBondContact OH-CZ 3.32Å; F171-F173 PolarHBondContact O-N 3.25Å; F173-T175 PolarHBondContact O-N 3.16Å; F173-Y183 VanDerWaalsContact CD2-OH 3.31Å; F173-Y183 WeakPolarHBondContact CD2-OH 3.31Å
174	S	96.6	Very high	96.8	Very high	124 Å²	124	57.1 Å²	57.1	87%	0.867	30%	0.295	S	S	*	.			trans	-58.1	133	171.1	-56.4	0	0	0	0	110.4
175	T	96.5	Very high	96.8	Very high	42 Å²	42	58.4 Å²	58.4	26%	0.258	30%	0.3	S	S	.	.			trans	-111.8	157.5	-178.2	55.1	0	0	0	0	110.3	F173 T177 E180 L181	F173-T175 PolarHBondContact O-N 3.16Å; T175-T177 PolarHBondContact OG1-O 3.13Å; T175-E180 WeakPolarHBondContact CB-OE2 3.4Å; T175-E180 HydrophobicContact CG2-CB 3.6Å; T175-E180 VanDerWaalsContact CG2-OE2 3.29Å; T175-E180 WeakPolarHBondContact CG2-OE2 3.42Å; T175-L181 HydrophobicContact CG2-CD2 4.12Å; T175-L181 VanDerWaalsContact OG1-CG 3.29Å; T175-L181 WeakPolarHBondContact OG1-CG 3.28Å
176	E	97.4	Very high	96.8	Very high	187 Å²	187	65.3 Å²	65.3	87%	0.874	33%	0.332	S	S	*	.	S	Bend	trans	-79.4	-28	177.4	-62	-60.5	154.6	0	0	111.9
177	T	97.6	Very high	96.7	Very high	49 Å²	49	69.6 Å²	69.6	30%	0.301	35%	0.351	S	S	.	.	S	Bend	trans	-121.3	160.7	-177.7	73.4	0	0	0	0	112.6	T175 E179 E180	T175-T177 PolarHBondContact OG1-O 3.13Å; T177-E179 WeakPolarHBondContact CB-OE1 3.44Å; T177-E179 WeakPolarHBondContact CB-OE2 3.39Å; T177-E179 WeakPolarHBondContact CG2-OE1 3.31Å; T177-E179 PolarHBondContact OG1-OE1 3.31Å; T177-E180 WeakPolarHBondContact OG1-CG 3.48Å
178	H	96.4	Very high	96.7	Very high	110 Å²	110	69.1 Å²	69.1	51%	0.509	35%	0.348	S	S	.	.	S	Bend	trans	-77.5	-37.4	-176.5	175.7	-94	0	0	0	111.9	T148 E180 L181	T148-H178 WeakPolarHBondContact CG2-NE2 3.47Å; H178-E180 PolarHBondContact O-N 3.17Å; H178-L181 WeakPolarHBondContact O-CB 3.42Å; H178-L181 PolarHBondContact O-N 3.32Å
179	E	95.5	Very high	96.8	Very high	122 Å²	122	69.8 Å²	69.8	57%	0.57	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-62.2	-27.8	179.1	61.3	-83.8	-170.4	0	0	112.9	T177 L181 L182	T177-E179 WeakPolarHBondContact CB-OE1 3.44Å; T177-E179 WeakPolarHBondContact CB-OE2 3.39Å; T177-E179 WeakPolarHBondContact CG2-OE1 3.31Å; T177-E179 PolarHBondContact OG1-OE1 3.31Å; E179-L181 PolarHBondContact O-N 3.04Å; E179-L182 PolarHBondContact O-N 3.31Å
180	E	95.6	Very high	96.8	Very high	104 Å²	104	73.9 Å²	73.9	49%	0.486	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-65.7	-25.1	175.3	-72.6	176.1	-167.1	0	0	112.3	T175 T177 H178 L182 Y183	T175-E180 WeakPolarHBondContact CB-OE2 3.4Å; T175-E180 HydrophobicContact CG2-CB 3.6Å; T175-E180 VanDerWaalsContact CG2-OE2 3.29Å; T175-E180 WeakPolarHBondContact CG2-OE2 3.42Å; T177-E180 WeakPolarHBondContact OG1-CG 3.48Å; H178-E180 PolarHBondContact O-N 3.17Å; E180-L182 VanDerWaalsContact C-N 3.33Å; E180-Y183 VanDerWaalsContact O-CD1 3.26Å; E180-Y183 WeakPolarHBondContact O-CD1 3.38Å; E180-Y183 WeakPolarHBondContact O-CE1 3.41Å
181	L	96.6	Very high	96.9	Very high	38 Å²	38	73.2 Å²	73.2	20%	0.199	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-84.1	-5.1	178.2	-65.5	174.3	0	0	0	113.8	M147 T148 T175 H178 E179 Y183	M147-L181 HydrophobicContact CB-CB 4.18Å; M147-L181 HydrophobicContact CB-CD2 4.29Å; M147-L181 WeakPolarHBondContact CB-O 3.4Å; M147-L181 WeakPolarHBondContact CG-O 3.42Å; M147-L181 PolarHBondContact N-O 3.22Å; T148-L181 HydrophobicContact CG2-CB 3.87Å; T148-L181 HydrophobicContact CG2-CD1 3.85Å; T175-L181 HydrophobicContact CG2-CD2 4.12Å; T175-L181 VanDerWaalsContact OG1-CG 3.29Å; T175-L181 WeakPolarHBondContact OG1-CG 3.28Å; H178-L181 WeakPolarHBondContact O-CB 3.42Å; H178-L181 PolarHBondContact O-N 3.32Å; E179-L181 PolarHBondContact O-N 3.04Å; L181-Y183 PolarHBondContact O-N 3.22Å
182	L	97.1	Very high	96.9	Very high	76 Å²	76	69.4 Å²	69.4	40%	0.398	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	89.8	172.6	-59.8	175.6	0	0	0	108.2	D146 E179 E180	D146-L182 HydrophobicContact CB-CD2 4Å; D146-L182 VanDerWaalsContact CG-CD2 3.41Å; D146-L182 WeakPolarHBondContact OD1-CD2 3.2Å; E179-L182 PolarHBondContact O-N 3.31Å; E180-L182 VanDerWaalsContact C-N 3.33Å
183	Y	97.9	Very high	96.9	Very high	6 Å²	6	69.8 Å²	69.8	2%	0.024	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.5	-173.1	-72.6	8	0	0	0	110.9	E98 D144 I145 M147 F173 E180 L181 K187 L188	E98-Y183 HydrophobicContact CG-CE2 4.02Å; E98-Y183 PolarHBondContact OE1-OH 3.16Å; D144-Y183 CarbonylContact C-O 3.53Å; D144-Y183 WeakPolarHBondContact CA-O 3.06Å; I145-Y183 PolarHBondContact N-O 2.9Å; I145-Y183 PolarHBondContact O-N 3.06Å; M147-Y183 HydrophobicContact CE-CD2 3.18Å; M147-Y183 HydrophobicContact CE-CE2 3.57Å; M147-Y183 HydrophobicContact CE-CG 3.92Å; M147-Y183 HydrophobicContact CG-CD1 4.29Å; M147-Y183 HydrophobicContact CG-CD2 4Å; M147-Y183 HydrophobicContact CG-CE1 4.24Å; M147-Y183 HydrophobicContact CG-CE2 3.96Å; M147-Y183 HydrophobicContact CG-CG 4.15Å; M147-Y183 HydrophobicContact SD-CD2 4.42Å; M147-Y183 HydrophobicContact SD-CE2 4.45Å; F173-Y183 VanDerWaalsContact CD2-OH 3.31Å; F173-Y183 WeakPolarHBondContact CD2-OH 3.31Å; E180-Y183 VanDerWaalsContact O-CD1 3.26Å; E180-Y183 WeakPolarHBondContact O-CD1 3.38Å; E180-Y183 WeakPolarHBondContact O-CE1 3.41Å; L181-Y183 PolarHBondContact O-N 3.22Å; Y183-K187 HydrophobicContact CD1-CG 4.01Å; Y183-K187 HydrophobicContact CD2-CG 4.05Å; Y183-K187 HydrophobicContact CE1-CG 4.38Å; Y183-K187 HydrophobicContact CE2-CG 4.42Å; Y183-K187 HydrophobicContact CG-CG 3.86Å; Y183-L188 HydrophobicContact CD2-CD2 3.86Å
184	N	97.4	Very high	96.9	Very high	92 Å²	92	75.2 Å²	75.2	49%	0.492	38%	0.38	S	S	.	.			trans	-86.4	168	168.6	-59.8	-29.4	0	0	0	110.9	Y143 D144 E186 K187 L188	Y143-N184 CarbonylContact O-C 3.46Å; D144-N184 WeakPolarHBondContact OD1-CA 3.24Å; N184-E186 PolarHBondContact O-N 3.08Å; N184-K187 PolarHBondContact O-N 2.79Å; N184-K187 VanDerWaalsContact O-N 3.09Å; N184-L188 PolarHBondContact O-N 3.44Å
185	K	96.8	Very high	97	Very high	29 Å²	29	72.1 Å²	72.1	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-49.7	-43.7	175.6	-177.8	177.3	172.8	170.2	0	113.1	L101 E109 T140 Y143 L188 L189	L101-K185 HydrophobicContact CD1-CG 4.12Å; E109-K185 IonicContact OE1-NZ 2.83Å; E109-K185 PolarHBondContact OE1-NZ 3.24Å; E109-K185 WeakPolarHBondContact OE2-CE 3.39Å; E109-K185 IonicContact OE2-NZ 3.21Å; E109-K185 PolarHBondContact OE2-NZ 3.41Å; T140-K185 PolarHBondContact O-NZ 3.05Å; T140-K185 WeakPolarHBondContact OG1-CD 3.29Å; T140-K185 WeakPolarHBondContact OG1-CE 3.26Å; T140-K185 PolarHBondContact OG1-NZ 3.42Å; Y143-K185 WeakPolarHBondContact O-CA 2.95Å; Y143-K185 PolarHBondContact O-N 3.01Å; K185-L188 PolarHBondContact O-N 2.97Å; K185-L189 HydrophobicContact CG-CD1 4.05Å; K185-L189 HydrophobicContact CG-CG 4.48Å; K185-L189 WeakPolarHBondContact O-CG 3.5Å; K185-L189 PolarHBondContact O-N 3.2Å
186	E	96.9	Very high	97	Very high	147 Å²	147	72.7 Å²	72.7	69%	0.687	35%	0.349	S	S	*	.	H	α-helix	trans	-63.6	-42.3	-178.2	-62.6	-177.9	172.9	0	0	112.1	N184 L188 L189 N190	N184-E186 PolarHBondContact O-N 3.08Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.27Å; E186-L189 PolarHBondContact O-N 2.87Å; E186-N190 WeakPolarHBondContact O-CB 2.99Å; E186-N190 PolarHBondContact O-N 3.36Å; E186-N190 PolarHBondContact O-ND2 3.14Å
187	K	97	Very high	97	Very high	91 Å²	91	67.9 Å²	67.9	40%	0.396	34%	0.341	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177	179.3	62.6	176.9	-178.2	0	110.8	Y183 N184 N190 N191	Y183-K187 HydrophobicContact CD1-CG 4.01Å; Y183-K187 HydrophobicContact CD2-CG 4.05Å; Y183-K187 HydrophobicContact CE1-CG 4.38Å; Y183-K187 HydrophobicContact CE2-CG 4.42Å; Y183-K187 HydrophobicContact CG-CG 3.86Å; N184-K187 PolarHBondContact O-N 2.79Å; N184-K187 VanDerWaalsContact O-N 3.09Å; K187-N190 PolarHBondContact O-N 2.82Å; K187-N191 PolarHBondContact O-N 3.17Å; K187-N191 PolarHBondContact O-OD1 2.93Å
188	L	97.3	Very high	96.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-66.7	-36.7	178.3	-66.2	165.6	0	0	0	112.8	H99 L101 Y143 I145 M147 Y183 N184 K185 E186 N191 G192	H99-L188 HydrophobicContact CB-CD2 3.77Å; H99-L188 WeakPolarHBondContact O-CD2 3.48Å; L101-L188 HydrophobicContact CB-CB 4.25Å; L101-L188 HydrophobicContact CD1-CB 3.89Å; L101-L188 HydrophobicContact CD1-CD1 4.38Å; L101-L188 HydrophobicContact CG-CB 3.89Å; L101-L188 PolarHBondContact N-O 3.44Å; Y143-L188 HydrophobicContact CD1-CD1 3.6Å; Y143-L188 HydrophobicContact CE1-CD1 3.89Å; I145-L188 HydrophobicContact CB-CD1 4.47Å; I145-L188 HydrophobicContact CD1-CD1 3.77Å; I145-L188 HydrophobicContact CD1-CD2 4.01Å; I145-L188 HydrophobicContact CG1-CD1 3.81Å; M147-L188 HydrophobicContact CE-CD2 4.11Å; Y183-L188 HydrophobicContact CD2-CD2 3.86Å; N184-L188 PolarHBondContact O-N 3.44Å; K185-L188 PolarHBondContact O-N 2.97Å; E186-L188 VanDerWaalsContact C-N 3.33Å; E186-L188 PolarHBondContact O-N 3.27Å; L188-N191 PolarHBondContact O-N 2.89Å; L188-G192 PolarHBondContact O-N 3.1Å
189	L	97.1	Very high	97	Very high	19 Å²	19	64.6 Å²	64.6	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-43.3	173.1	-74.9	171	0	0	0	111.3	L101 E109 K185 E186 N191 G192 D193	L101-L189 HydrophobicContact CB-CD2 3.72Å; L101-L189 HydrophobicContact CB-CG 4.17Å; L101-L189 HydrophobicContact CD1-CD2 4.43Å; L101-L189 HydrophobicContact CD1-CG 4.29Å; E109-L189 HydrophobicContact CB-CD2 4.47Å; K185-L189 HydrophobicContact CG-CD1 4.05Å; K185-L189 HydrophobicContact CG-CG 4.48Å; K185-L189 WeakPolarHBondContact O-CG 3.5Å; K185-L189 PolarHBondContact O-N 3.2Å; E186-L189 PolarHBondContact O-N 2.87Å; L189-N191 VanDerWaalsContact C-N 3.26Å; L189-N191 PolarHBondContact O-N 2.85Å; L189-G192 CarbonylContact O-C 3.57Å; L189-G192 WeakPolarHBondContact O-CA 3.38Å; L189-G192 PolarHBondContact O-N 3.44Å; L189-G192 VanDerWaalsContact O-N 3.07Å; L189-D193 VanDerWaalsContact O-CG 3.31Å; L189-D193 PolarHBondContact O-N 3.03Å
190	N	97.7	Very high	97	Very high	99 Å²	99	60.7 Å²	60.7	53%	0.529	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-38	175.5	-68.8	-25.6	0	0	0	111.8	E186 K187 D193 K194	E186-N190 WeakPolarHBondContact O-CB 2.99Å; E186-N190 PolarHBondContact O-N 3.36Å; E186-N190 PolarHBondContact O-ND2 3.14Å; K187-N190 PolarHBondContact O-N 2.82Å; N190-D193 PolarHBondContact O-N 3.46Å; N190-K194 VanDerWaalsContact O-CB 3.32Å; N190-K194 WeakPolarHBondContact O-CB 3.43Å; N190-K194 PolarHBondContact O-N 2.84Å
191	N	97.6	Very high	97.1	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.048	31%	0.31	C	S	.	.	H	α-helix	trans	-64.8	-42.4	173.5	-70.2	-6.9	0	0	0	111.4	E98 H99 A100 K187 L188 L189 K194 W195	E98-N191 VanDerWaalsContact CD-ND2 3.27Å; E98-N191 PolarHBondContact OE1-ND2 3.21Å; E98-N191 PolarHBondContact OE1-OD1 2.83Å; H99-N191 PolarHBondContact O-ND2 2.92Å; A100-N191 HydrophobicContact CB-CB 4.2Å; K187-N191 PolarHBondContact O-N 3.17Å; K187-N191 PolarHBondContact O-OD1 2.93Å; L188-N191 PolarHBondContact O-N 2.89Å; L189-N191 VanDerWaalsContact C-N 3.26Å; L189-N191 PolarHBondContact O-N 2.85Å; N191-K194 PolarHBondContact O-N 3.47Å; N191-W195 WeakPolarHBondContact O-CB 3.41Å; N191-W195 VanDerWaalsContact O-CD1 3.23Å; N191-W195 PolarHBondContact O-N 3.29Å
192	G	96.9	Very high	97.1	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-51.9	172.4	0	0	0	0	0	111.9	L101 L188 L189 K194 W195 E196	L101-G192 WeakPolarHBondContact O-CA 3.32Å; L188-G192 PolarHBondContact O-N 3.1Å; L189-G192 CarbonylContact O-C 3.57Å; L189-G192 WeakPolarHBondContact O-CA 3.38Å; L189-G192 PolarHBondContact O-N 3.44Å; L189-G192 VanDerWaalsContact O-N 3.07Å; G192-K194 VanDerWaalsContact C-N 3.26Å; G192-K194 PolarHBondContact O-N 3.38Å; G192-W195 PolarHBondContact O-N 3.3Å; G192-E196 WeakPolarHBondContact O-CA 3.42Å; G192-E196 WeakPolarHBondContact O-CB 3.45Å; G192-E196 PolarHBondContact O-N 3.05Å
193	D	97	Very high	97.1	Very high	83 Å²	83	56.1 Å²	56.1	44%	0.444	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-35.2	-179.5	-66.4	-28.8	0	0	0	111.8	R103 L189 N190	R103-D193 VanDerWaalsContact CD-OD1 3.28Å; R103-D193 WeakPolarHBondContact CD-OD1 3.42Å; R103-D193 IonicContact CZ-OD1 3.78Å; R103-D193 IonicContact CZ-OD2 3.79Å; R103-D193 IonicContact NE-OD1 2.7Å; R103-D193 PolarHBondContact NE-OD1 3.49Å; R103-D193 IonicContact NE-OD2 2.76Å; R103-D193 PolarHBondContact NE-OD2 3.41Å; R103-D193 IonicContact NH2-OD1 3.22Å; R103-D193 IonicContact NH2-OD2 3.84Å; R103-D193 PolarHBondContact NH2-OD2 3.09Å; L189-D193 VanDerWaalsContact O-CG 3.31Å; L189-D193 PolarHBondContact O-N 3.03Å; N190-D193 PolarHBondContact O-N 3.46Å
194	K	97.1	Very high	97	Very high	151 Å²	151	62.1 Å²	62.1	66%	0.657	33%	0.327	S	S	*	.	H	α-helix	trans	-70.7	-41.9	175.9	-176.2	179.3	176.3	-174.7	0	113.2	N190 N191 G192	N190-K194 VanDerWaalsContact O-CB 3.32Å; N190-K194 WeakPolarHBondContact O-CB 3.43Å; N190-K194 PolarHBondContact O-N 2.84Å; N191-K194 PolarHBondContact O-N 3.47Å; G192-K194 VanDerWaalsContact C-N 3.26Å; G192-K194 PolarHBondContact O-N 3.38Å
195	W	97.5	Very high	97	Very high	59 Å²	59	60.6 Å²	60.6	22%	0.223	33%	0.327	C	S	.	.	H	α-helix	trans	-107.2	2.1	-169.5	-63.9	111.7	0	0	0	114.3	P169 N170 N191 G192 A197 E198 I199	P169-W195 HydrophobicContact CG-CE3 4.27Å; N170-W195 HydrophobicContact CB-CH2 4.4Å; N170-W195 HydrophobicContact CB-CZ2 3.72Å; N191-W195 WeakPolarHBondContact O-CB 3.41Å; N191-W195 VanDerWaalsContact O-CD1 3.23Å; N191-W195 PolarHBondContact O-N 3.29Å; G192-W195 PolarHBondContact O-N 3.3Å; W195-A197 VanDerWaalsContact C-N 3.26Å; W195-A197 PolarHBondContact O-N 3.39Å; W195-A197 VanDerWaalsContact O-N 3.12Å; W195-E198 VanDerWaalsContact CZ3-OE2 3.29Å; W195-E198 WeakPolarHBondContact CZ3-OE2 2.96Å; W195-E198 PolarHBondContact O-N 3.09Å; W195-I199 HydrophobicContact CB-CD1 3.69Å; W195-I199 HydrophobicContact CB-CG1 4Å; W195-I199 VanDerWaalsContact O-CG1 3.26Å; W195-I199 WeakPolarHBondContact O-CG1 3.47Å; W195-I199 PolarHBondContact O-N 2.89Å
196	E	96.9	Very high	97	Very high	54 Å²	54	59.7 Å²	59.7	25%	0.252	32%	0.324	S	S	.	.	H	α-helix	trans	-53	-40.3	-172.7	-179.6	60.3	-162.2	0	0	113.1	R102 G192 E198 A200	R102-E196 WeakPolarHBondContact CG-OE2 3.14Å; R102-E196 IonicContact CZ-OE1 2.85Å; R102-E196 IonicContact CZ-OE2 3.21Å; R102-E196 IonicContact NE-OE1 3.54Å; R102-E196 PolarHBondContact NE-OE1 2.89Å; R102-E196 IonicContact NE-OE2 3.57Å; R102-E196 PolarHBondContact NE-OE2 3.46Å; R102-E196 VanDerWaalsContact NH2-CD 3.35Å; R102-E196 IonicContact NH2-OE1 2.8Å; R102-E196 PolarHBondContact NH2-OE1 3.3Å; R102-E196 IonicContact NH2-OE2 2.75Å; G192-E196 WeakPolarHBondContact O-CA 3.42Å; G192-E196 WeakPolarHBondContact O-CB 3.45Å; G192-E196 PolarHBondContact O-N 3.05Å; E196-E198 PolarHBondContact O-N 2.99Å; E196-A200 WeakPolarHBondContact O-CB 3.33Å; E196-A200 PolarHBondContact O-N 3.31Å
197	A	96.6	Very high	96.9	Very high	87 Å²	87	58.3 Å²	58.3	72%	0.719	31%	0.313	S	S	*	.	H	α-helix	trans	-62.1	-43.4	179.9	0	0	0	0	0	112.3	W195 A201	W195-A197 VanDerWaalsContact C-N 3.26Å; W195-A197 PolarHBondContact O-N 3.39Å; W195-A197 VanDerWaalsContact O-N 3.12Å; A197-A201 PolarHBondContact O-N 3.04Å; A197-A201 VanDerWaalsContact O-N 3.17Å
198	E	96.8	Very high	96.9	Very high	85 Å²	85	60 Å²	60	40%	0.397	33%	0.326	S	S	.	.	H	α-helix	trans	-77.2	-41	-179	-167	174.9	173.1	0	0	111.4	P169 W195 E196 A200 A201 N202	P169-E198 HydrophobicContact CB-CG 4.41Å; P169-E198 WeakPolarHBondContact CB-OE1 3.42Å; P169-E198 HydrophobicContact CG-CB 4.24Å; P169-E198 HydrophobicContact CG-CG 3.81Å; W195-E198 VanDerWaalsContact CZ3-OE2 3.29Å; W195-E198 WeakPolarHBondContact CZ3-OE2 2.96Å; W195-E198 PolarHBondContact O-N 3.09Å; E196-E198 PolarHBondContact O-N 2.99Å; E198-A200 VanDerWaalsContact C-N 3.32Å; E198-A200 PolarHBondContact O-N 3.01Å; E198-A201 PolarHBondContact O-N 2.91Å; E198-N202 PolarHBondContact O-N 2.91Å
199	I	97.3	Very high	96.8	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-62.2	-41.8	175.1	-59.4	168.5	0	0	0	110.1	A100 R102 V166 W195 A201 N202 I203	A100-I199 HydrophobicContact CB-CD1 3.79Å; R102-I199 PolarHBondContact NH1-O 3.4Å; V166-I199 HydrophobicContact CB-CG2 4.22Å; V166-I199 HydrophobicContact CG1-CG2 4.48Å; V166-I199 HydrophobicContact CG2-CD1 4Å; V166-I199 HydrophobicContact CG2-CG2 3.63Å; W195-I199 HydrophobicContact CB-CD1 3.69Å; W195-I199 HydrophobicContact CB-CG1 4Å; W195-I199 VanDerWaalsContact O-CG1 3.26Å; W195-I199 WeakPolarHBondContact O-CG1 3.47Å; W195-I199 PolarHBondContact O-N 2.89Å; I199-A201 PolarHBondContact O-N 3.08Å; I199-N202 PolarHBondContact O-N 3.31Å; I199-I203 HydrophobicContact CG2-CD1 4.39Å; I199-I203 HydrophobicContact CG2-CG1 4.5Å; I199-I203 WeakPolarHBondContact O-CG1 3.09Å; I199-I203 PolarHBondContact O-N 3Å
200	A	96.8	Very high	96.4	Very high	39 Å²	39	74.3 Å²	74.3	32%	0.322	38%	0.379	S	S	.	.	H	α-helix	trans	-59.9	-44.6	174.2	0	0	0	0	0	112.1	R102 E196 E198 I203 Q204	R102-A200 VanDerWaalsContact NH2-CA 3.32Å; R102-A200 VanDerWaalsContact NH2-CB 3.33Å; E196-A200 WeakPolarHBondContact O-CB 3.33Å; E196-A200 PolarHBondContact O-N 3.31Å; E198-A200 VanDerWaalsContact C-N 3.32Å; E198-A200 PolarHBondContact O-N 3.01Å; A200-I203 PolarHBondContact O-N 3.12Å; A200-Q204 VanDerWaalsContact O-CB 3.31Å; A200-Q204 WeakPolarHBondContact O-CB 3.42Å; A200-Q204 PolarHBondContact O-N 3.3Å
201	A	97.3	Very high	96.3	Very high	57 Å²	57	73.1 Å²	73.1	47%	0.471	37%	0.372	S	S	.	.	H	α-helix	trans	-62.6	-43.3	177.3	0	0	0	0	0	112.2	A197 E198 I199 Q204 A205	A197-A201 PolarHBondContact O-N 3.04Å; A197-A201 VanDerWaalsContact O-N 3.17Å; E198-A201 PolarHBondContact O-N 2.91Å; I199-A201 PolarHBondContact O-N 3.08Å; A201-Q204 PolarHBondContact O-N 2.86Å; A201-A205 PolarHBondContact O-N 2.97Å; A201-A205 VanDerWaalsContact O-N 3.08Å
202	N	97.1	Very high	96.2	Very high	41 Å²	41	76.4 Å²	76.4	22%	0.219	39%	0.389	C	S	.	.	H	α-helix	trans	-66.8	-42.7	178.8	-73.9	-22.4	0	0	0	112.2	P93 E198 I199 Q204 A205 D206	P93-N202 HydrophobicContact CB-CB 4.33Å; E198-N202 PolarHBondContact O-N 2.91Å; I199-N202 PolarHBondContact O-N 3.31Å; N202-Q204 VanDerWaalsContact C-N 3.32Å; N202-Q204 PolarHBondContact O-N 3.1Å; N202-A205 WeakPolarHBondContact O-CB 3.35Å; N202-A205 PolarHBondContact O-N 2.79Å; N202-A205 VanDerWaalsContact O-N 3.16Å; N202-D206 WeakPolarHBondContact O-CB 3.48Å; N202-D206 PolarHBondContact O-N 3.12Å; N202-D206 VanDerWaalsContact O-N 3.09Å
203	I	95.9	Very high	96.2	Very high	25 Å²	25	80.6 Å²	80.6	13%	0.128	41%	0.41	C	S	.	.	H	α-helix	trans	-63.9	-40.5	173.9	-65.9	-165.3	0	0	0	110.6	V166 I199 A200 A205 D206 Y207	V166-I203 HydrophobicContact CG1-CD1 4Å; I199-I203 HydrophobicContact CG2-CD1 4.39Å; I199-I203 HydrophobicContact CG2-CG1 4.5Å; I199-I203 WeakPolarHBondContact O-CG1 3.09Å; I199-I203 PolarHBondContact O-N 3Å; A200-I203 PolarHBondContact O-N 3.12Å; I203-A205 PolarHBondContact O-N 3.42Å; I203-D206 PolarHBondContact O-N 3.47Å; I203-Y207 WeakPolarHBondContact O-CB 3.48Å; I203-Y207 PolarHBondContact O-N 2.99Å
204	Q	96.9	Very high	96.1	Very high	131 Å²	131	80.5 Å²	80.5	61%	0.612	41%	0.408	S	S	*	.	H	α-helix	trans	-61.5	-27.1	176.4	-173	60.7	24.6	0	0	112.7	A200 A201 N202 Y207	A200-Q204 VanDerWaalsContact O-CB 3.31Å; A200-Q204 WeakPolarHBondContact O-CB 3.42Å; A200-Q204 PolarHBondContact O-N 3.3Å; A201-Q204 PolarHBondContact O-N 2.86Å; N202-Q204 VanDerWaalsContact C-N 3.32Å; N202-Q204 PolarHBondContact O-N 3.1Å; Q204-Y207 WeakPolarHBondContact O-CD1 3.42Å; Q204-Y207 WeakPolarHBondContact O-CE1 3.27Å
205	A	97.1	Very high	96.1	Very high	60 Å²	60	76.1 Å²	76.1	50%	0.496	39%	0.393	S	S	.	.	H	α-helix	trans	-80.5	-27.8	173.3	0	0	0	0	0	113.3	P93 A201 N202 I203	P93-A205 HydrophobicContact CB-CB 4.2Å; P93-A205 HydrophobicContact CG-CB 4.32Å; A201-A205 PolarHBondContact O-N 2.97Å; A201-A205 VanDerWaalsContact O-N 3.08Å; N202-A205 WeakPolarHBondContact O-CB 3.35Å; N202-A205 PolarHBondContact O-N 2.79Å; N202-A205 VanDerWaalsContact O-N 3.16Å; I203-A205 PolarHBondContact O-N 3.42Å
206	D	96.2	Very high	96	Very high	11 Å²	11	77.2 Å²	77.2	6%	0.059	40%	0.404	C	S	.	.	H	α-helix	trans	-107	-20.2	-168.5	-175.1	51.9	0	0	0	115.3	R94 N202 I203 L208 Y209 R210	R94-D206 WeakPolarHBondContact CG-OD1 3.32Å; R94-D206 IonicContact CZ-OD1 3.83Å; R94-D206 IonicContact NE-OD1 3.1Å; R94-D206 PolarHBondContact NE-OD1 2.96Å; R94-D206 IonicContact NH2-OD1 2.98Å; R94-D206 PolarHBondContact NH2-OD1 3.09Å; N202-D206 WeakPolarHBondContact O-CB 3.48Å; N202-D206 PolarHBondContact O-N 3.12Å; N202-D206 VanDerWaalsContact O-N 3.09Å; I203-D206 PolarHBondContact O-N 3.47Å; D206-L208 PolarHBondContact O-N 3.26Å; D206-Y209 PolarHBondContact O-N 3.3Å; D206-R210 IonicContact OD2-CZ 3Å; D206-R210 IonicContact OD2-NE 2.68Å; D206-R210 PolarHBondContact OD2-NE 3.14Å; D206-R210 IonicContact OD2-NH2 2.85Å; D206-R210 PolarHBondContact OD2-NH2 3.2Å
207	Y	94.7	Very high	95.9	Very high	117 Å²	117	78.9 Å²	78.9	46%	0.459	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-55.5	-25.2	-167.3	74.6	-80.7	0	0	0	115.9	I203 Q204 Y209	I203-Y207 WeakPolarHBondContact O-CB 3.48Å; I203-Y207 PolarHBondContact O-N 2.99Å; Q204-Y207 WeakPolarHBondContact O-CD1 3.42Å; Q204-Y207 WeakPolarHBondContact O-CE1 3.27Å; Y207-Y209 VanDerWaalsContact C-N 3.29Å; Y207-Y209 PolarHBondContact O-N 3.11Å
208	L	97	Very high	95.9	Very high	128 Å²	128	78.2 Å²	78.2	67%	0.67	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-75.5	-13.5	179	-67.9	173.3	0	0	0	114.3	D206	D206-L208 PolarHBondContact O-N 3.26Å
209	Y	96.4	Very high	95.8	Very high	177 Å²	177	77.7 Å²	77.7	69%	0.694	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-104.8	7.2	-175.4	-61.8	-86	0	0	0	113	D206 Y207	D206-Y209 PolarHBondContact O-N 3.3Å; Y207-Y209 VanDerWaalsContact C-N 3.29Å; Y207-Y209 PolarHBondContact O-N 3.11Å
210	R	86.9	Confident	95.7	Very high	141 Å²	141	84.3 Å²	84.3	53%	0.532	42%	0.424	S	S	.	.			trans	-99.5	0	179.3	-63	-175.1	-174.9	-171.9	0.2	111.9	D206	D206-R210 IonicContact OD2-CZ 3Å; D206-R210 IonicContact OD2-NE 2.68Å; D206-R210 PolarHBondContact OD2-NE 3.14Å; D206-R210 IonicContact OD2-NH2 2.85Å; D206-R210 PolarHBondContact OD2-NH2 3.2Å

Retrieved 210 of 210 residues in 1126.6 ms (Link to these results)

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