A0A087YMY4_POEFO Loading...

2-oxoisovalerate dehydrogenase subunit beta, mitochondrial

Together with BCKDHA forms the heterotetrameric E1 subunit of the mitochondrial branched-chain alpha-ketoacid dehydrogenase (BCKD) complex. The BCKD complex catalyzes the multi-step oxidative decarboxylation of alpha-ketoacids derived from the branched-chain amino-acids valine, leucine and isoleucine producing CO2 and acyl-CoA which is subsequently utilized to produce energy. The E1 subunit catalyzes the first step with the decarboxylation of the alpha-ketoacid forming an enzyme-product intermediate. A reductive acylation mediated by the lipoylamide cofactor of E2 extracts the acyl group from the E1 active site for the next step of the reaction.

AlphaFold DB , UniProt , Accession A0A087YMY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 387 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.7	Very low	30.3	Very low	253 Å²	253	154.6 Å²	154.6	100%	1.246	88%	0.875	S	S	*	*				0	105.8	0	-86.8	-157.2	-87.6	0	0	108.4
2	A	28.5	Very low	30.3	Very low	107 Å²	107	150.3 Å²	150.3	88%	0.884	87%	0.873	S	S	*	*			trans	-138.2	116.8	168.2	0	0	0	0	0	106.8
3	A	29.2	Very low	30.6	Very low	107 Å²	107	154 Å²	154	88%	0.884	88%	0.877	S	S	*	*			trans	-84	138.8	-172.4	0	0	0	0	0	111
4	A	31.6	Very low	30.5	Very low	102 Å²	102	150.5 Å²	150.5	84%	0.843	87%	0.866	S	S	*	*			trans	-75.4	147.4	172.7	0	0	0	0	0	111.5
5	A	30.4	Very low	30.6	Very low	104 Å²	104	149.8 Å²	149.8	86%	0.86	87%	0.866	S	S	*	*			trans	-138.3	110.6	157.4	0	0	0	0	0	109.5
6	R	30.7	Very low	30.3	Very low	217 Å²	217	150 Å²	150	82%	0.819	86%	0.862	S	S	*	*			trans	-84	140.1	163.3	-77.4	179.1	171.9	-163.3	-3	108.1
7	L	26.8	Very low	30.2	Very low	165 Å²	165	146.8 Å²	146.8	86%	0.864	86%	0.857	S	S	*	*			trans	-135.1	122.1	155.5	-133.7	88.7	0	0	0	110.1
8	F	28.6	Very low	30.3	Very low	174 Å²	174	147.7 Å²	147.7	76%	0.763	86%	0.856	S	S	*	*			trans	-85.6	137	170.3	-96.1	-91.3	0	0	0	109.4
9	I	30.8	Very low	30.2	Very low	157 Å²	157	146 Å²	146	81%	0.805	85%	0.854	S	S	*	*			trans	-137.4	122.2	153.6	-60.8	-176.8	0	0	0	109.3
10	R	30.1	Very low	30.2	Very low	243 Å²	243	142.7 Å²	142.7	92%	0.917	85%	0.852	S	S	*	*			trans	-86.4	146.1	166.9	-81.2	177.5	165.9	-178.9	-4.2	109.5
11	G	28.5	Very low	30.2	Very low	72 Å²	72	143 Å²	143	74%	0.742	85%	0.854	S	S	*	*			trans	-177.2	96.7	160.9	0	0	0	0	0	109.1
12	A	31.3	Very low	29.7	Very low	103 Å²	103	133.7 Å²	133.7	85%	0.851	82%	0.823	S	S	*	*				78.8	109.4	91.1	0	0	0	0	0	113.1
13	H	33	Very low	29.8	Very low	198 Å²	198	135.8 Å²	135.8	92%	0.917	83%	0.825	S	S	*	*			trans	-67.5	138.7	172	-78.1	-80.7	0	0	0	111.7
14	S	29.2	Very low	29.8	Very low	105 Å²	105	134.3 Å²	134.3	73%	0.734	82%	0.821	S	S	*	*			trans	-151.6	115.3	153.9	60.1	0	0	0	0	110.8
15	T	32.1	Very low	29.8	Very low	140 Å²	140	141.2 Å²	141.2	86%	0.859	83%	0.825	S	S	*	*			trans	-78.7	130.2	172.8	-36.3	0	0	0	0	109.1
16	L	26.5	Very low	29.9	Very low	153 Å²	153	145.2 Å²	145.2	80%	0.801	83%	0.826	S	S	*	*			trans	-117.4	112.4	172.5	-105.4	141.1	0	0	0	109.1
17	A	28.6	Very low	29.9	Very low	95 Å²	95	142.6 Å²	142.6	79%	0.785	83%	0.828	S	S	*	*			trans	-86.6	134.2	168.2	0	0	0	0	0	108.9
18	I	31.5	Very low	30.2	Very low	164 Å²	164	139.5 Å²	139.5	84%	0.841	82%	0.82	S	S	*	*			trans	-112.4	118.7	172.5	-63.6	176.3	0	0	0	107.8
19	S	28.4	Very low	30.5	Very low	115 Å²	115	139.5 Å²	139.5	80%	0.804	83%	0.827	S	S	*	*			trans	-85.5	138.1	168.3	46	0	0	0	0	110.1
20	G	29.5	Very low	30.6	Very low	79 Å²	79	139.5 Å²	139.5	81%	0.814	83%	0.828	S	S	*	*			trans	-142.9	124.5	174	0	0	0	0	0	110.3
21	V	30.7	Very low	30.8	Very low	150 Å²	150	137.9 Å²	137.9	91%	0.909	83%	0.828	S	S	*	*			trans	-95.1	135.8	-172.2	171.4	0	0	0	0	111
22	G	28.1	Very low	31	Very low	57 Å²	57	142.5 Å²	142.5	59%	0.588	84%	0.835	S	S	*	*			trans	84.7	117.9	137.8	0	0	0	0	0	119.4
23	T	30.4	Very low	31.2	Very low	151 Å²	151	143 Å²	143	93%	0.926	83%	0.831	S	S	*	*				164	138.8	107	41.2	0	0	0	0	110.4
24	G	29.9	Very low	31.7	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	83%	0.832	S	S	*	*			trans	-74.6	151.5	-173.6	0	0	0	0	0	114.3
25	R	31.4	Very low	32.2	Very low	246 Å²	246	137.2 Å²	137.2	93%	0.928	83%	0.832	S	S	*	*			trans	-154	138	152.6	-114.4	174.1	-179.9	-172.5	-0.3	110.3
26	Q	32.7	Very low	32.4	Very low	189 Å²	189	136.3 Å²	136.3	88%	0.883	83%	0.83	S	S	*	*			trans	-57.1	129.8	-173.5	-67.9	160.1	-35.7	0	0	112.3	S28	Q26-S28 PolarHBondContact O-N 3.38Å
27	N	29.9	Very low	32.7	Very low	162 Å²	162	134 Å²	134	87%	0.866	83%	0.826	S	S	*	*			trans	-83	102	165.1	-88.1	-14.1	0	0	0	109.4	L29	N27-L29 PolarHBondContact O-N 3.41Å
28	S	32.3	Very low	33.2	Very low	100 Å²	100	133.8 Å²	133.8	70%	0.699	82%	0.819	S	S	*	*			trans	-72.5	108.6	162.3	57.8	0	0	0	0	109.3	Q26 L30	Q26-S28 PolarHBondContact O-N 3.38Å; S28-L30 PolarHBondContact O-N 3.34Å; S28-L30 VanDerWaalsContact O-N 3.08Å
29	L	34.7	Very low	33.4	Very low	173 Å²	173	136.5 Å²	136.5	91%	0.906	82%	0.819	S	S	*	*			trans	-70.4	94.9	169.5	-83.5	155.8	0	0	0	109.9	N27	N27-L29 PolarHBondContact O-N 3.41Å
30	L	33.5	Very low	33.9	Very low	157 Å²	157	138.7 Å²	138.7	82%	0.822	82%	0.82	S	S	*	*			trans	-84.4	111.9	162.2	-88.4	155.6	0	0	0	108.6	S28 L32	S28-L30 PolarHBondContact O-N 3.34Å; S28-L30 VanDerWaalsContact O-N 3.08Å; L30-L32 PolarHBondContact O-N 2.82Å
31	K	34.1	Very low	34	Very low	209 Å²	209	143.8 Å²	143.8	91%	0.909	82%	0.82	S	S	*	*			trans	-60.8	114.5	171.7	-78.7	174.9	173.7	175.9	0	109.5
32	L	33.5	Very low	34.2	Very low	170 Å²	170	141.1 Å²	141.1	89%	0.89	81%	0.814	S	S	*	*			trans	-75.2	124.6	165	-82.7	156.9	0	0	0	109.1	L30	L30-L32 PolarHBondContact O-N 2.82Å
33	S	35.1	Very low	34.5	Very low	112 Å²	112	145.7 Å²	145.7	78%	0.783	82%	0.82	S	S	*	*			trans	-57.1	129.3	176.1	50.7	0	0	0	0	111.6	G35	S33-G35 PolarHBondContact O-N 2.92Å; S33-G35 VanDerWaalsContact O-N 3.11Å
34	A	42.7	Very low	34.8	Very low	113 Å²	113	149.7 Å²	149.7	93%	0.934	82%	0.818	S	S	*	*	S	Bend	trans	-68.3	101.8	168	0	0	0	0	0	109.4
35	G	41.4	Very low	35.6	Very low	70 Å²	70	153.2 Å²	153.2	72%	0.722	81%	0.814	S	S	*	*			trans	175.4	45.2	-179.4	0	0	0	0	0	116.5	S33	S33-G35 PolarHBondContact O-N 2.92Å; S33-G35 VanDerWaalsContact O-N 3.11Å
36	C	35.8	Very low	36.8	Very low	121 Å²	121	146.7 Å²	146.7	82%	0.818	81%	0.813	S	S	*	*			trans	-174.6	90.2	148.5	-151.6	0	0	0	0	109
37	S	32.4	Very low	39.1	Very low	103 Å²	103	140.1 Å²	140.1	72%	0.72	79%	0.79	S	S	*	*			trans	-119.9	61.2	167.8	167.4	0	0	0	0	108.4	R39	S37-R39 VanDerWaalsContact C-N 3.29Å; S37-R39 PolarHBondContact O-N 3.47Å
38	S	38.7	Very low	42	Very low	92 Å²	92	134.3 Å²	134.3	64%	0.643	76%	0.758	S	S	*	*			trans	-74.7	96.4	150.6	51.3	0	0	0	0	106	L40	S38-L40 PolarHBondContact O-N 3.18Å
39	R	36.4	Very low	45.1	Very low	221 Å²	221	130.2 Å²	130.2	83%	0.834	73%	0.728	S	S	*	*			trans	-60.5	94.5	160.4	-75	-176.3	-169.4	-163.7	2.7	105.9	S37 K41	S37-R39 VanDerWaalsContact C-N 3.29Å; S37-R39 PolarHBondContact O-N 3.47Å; R39-K41 PolarHBondContact O-N 3Å
40	L	38.5	Very low	48	Very low	160 Å²	160	126 Å²	126	84%	0.838	71%	0.709	S	S	*	*			trans	-56.8	97.3	156.2	-77.3	163.1	0	0	0	104.8	S38 A42	S38-L40 PolarHBondContact O-N 3.18Å; L40-A42 PolarHBondContact O-N 3.2Å
41	K	31.6	Very low	50.9	Low	186 Å²	186	120.1 Å²	120.1	81%	0.809	68%	0.677	S	S	*	*			trans	-59.8	100.2	162.5	-80.9	-179.6	176.6	178.7	0	104.1	R39 Q43	R39-K41 PolarHBondContact O-N 3Å; K41-Q43 PolarHBondContact O-N 3.09Å
42	A	34.6	Very low	53.6	Low	95 Å²	95	114.4 Å²	114.4	79%	0.785	65%	0.653	S	S	*	*			trans	-63.7	83.8	163.2	0	0	0	0	0	106.2	L40 R44	L40-A42 PolarHBondContact O-N 3.2Å; A42-R44 PolarHBondContact O-N 3.39Å
43	Q	35.2	Very low	56.2	Low	153 Å²	153	110 Å²	110	72%	0.715	64%	0.635	S	S	*	*			trans	-67.8	93.3	165.8	-118.9	175	-25.4	0	0	104.8	K41 H45	K41-Q43 PolarHBondContact O-N 3.09Å; Q43-H45 VanDerWaalsContact C-N 3.27Å; Q43-H45 PolarHBondContact O-N 2.9Å; Q43-H45 PolarHBondContact O-ND1 3.2Å
44	R	36.5	Very low	58.6	Low	234 Å²	234	105.8 Å²	105.8	88%	0.883	60%	0.604	S	S	*	*			trans	-55.1	102.5	160.3	-83.6	-177.5	150.2	-177.1	-7.3	105.7	A42 A46	A42-R44 PolarHBondContact O-N 3.39Å; R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 3Å
45	H	45.6	Very low	60.6	Low	151 Å²	151	105.7 Å²	105.7	70%	0.699	59%	0.594	S	S	*	*			trans	-66.2	103.6	165.5	-77.3	61.8	0	0	0	104.7	Q43 A47	Q43-H45 VanDerWaalsContact C-N 3.27Å; Q43-H45 PolarHBondContact O-N 2.9Å; Q43-H45 PolarHBondContact O-ND1 3.2Å; H45-A47 PolarHBondContact O-N 2.8Å
46	A	57.9	Low	62.5	Low	110 Å²	110	106.5 Å²	106.5	91%	0.909	59%	0.586	S	S	*	*			trans	-71.1	-11.4	-172.9	0	0	0	0	0	112.8	R44	R44-A46 VanDerWaalsContact C-N 3.32Å; R44-A46 PolarHBondContact O-N 3Å
47	A	79.9	Confident	64.6	Low	50 Å²	50	102.1 Å²	102.1	41%	0.413	56%	0.556	S	S	.	*			trans	-129.3	141.9	179.5	0	0	0	0	0	110.4	H45 F49	H45-A47 PolarHBondContact O-N 2.8Å; A47-F49 HydrophobicContact CB-CD1 4.24Å; A47-F49 HydrophobicContact CB-CE1 4.15Å; A47-F49 WeakPolarHBondContact CB-O 3.23Å; A47-F49 PolarHBondContact O-N 3.4Å
48	H	92.3	Very high	66.8	Low	41 Å²	41	103.5 Å²	103.5	19%	0.19	56%	0.56	C	S	.	*	S	Bend	trans	-81.4	-2.1	175.8	64.2	-93.6	0	0	0	113	C183 I371	H48-C183 PolarHBondContact CE1-SG 3.21Å; H48-I371 HydrophobicContact CB-CD1 3.41Å; H48-I371 VanDerWaalsContact CB-CD1 3.41Å; H48-I371 VanDerWaalsContact CG-CD1 3.47Å
49	F	96.2	Very high	69	Low	13 Å²	13	106.3 Å²	106.3	6%	0.057	56%	0.563	C	S	.	*	S	Bend	trans	-136.4	161.5	-179.4	73.6	-79	0	0	0	110.1	A47 F51 I237 L238 A241 T274 H277 V278	A47-F49 HydrophobicContact CB-CD1 4.24Å; A47-F49 HydrophobicContact CB-CE1 4.15Å; A47-F49 WeakPolarHBondContact CB-O 3.23Å; A47-F49 PolarHBondContact O-N 3.4Å; F49-F51 HydrophobicContact CE2-CB 4.11Å; F49-I237 HydrophobicContact CD1-CD1 4.35Å; F49-I237 HydrophobicContact CE1-CD1 3.68Å; F49-I237 HydrophobicContact CE1-CG1 3.87Å; F49-I237 HydrophobicContact CE1-CG2 4.05Å; F49-I237 HydrophobicContact CZ-CG1 4.4Å; F49-I237 HydrophobicContact CZ-CG2 4.3Å; F49-L238 HydrophobicContact CD2-CD2 4.25Å; F49-L238 HydrophobicContact CE1-CD2 4.48Å; F49-L238 HydrophobicContact CE2-CD2 3.31Å; F49-L238 HydrophobicContact CZ-CD2 3.47Å; F49-L238 VanDerWaalsContact CZ-CD2 3.47Å; F49-A241 HydrophobicContact CZ-CB 4.16Å; F49-T274 HydrophobicContact CB-CG2 4.18Å; F49-T274 HydrophobicContact CD1-CG2 3.58Å; F49-T274 HydrophobicContact CD2-CG2 3.98Å; F49-T274 HydrophobicContact CE1-CG2 3.94Å; F49-T274 HydrophobicContact CE2-CG2 4.28Å; F49-T274 HydrophobicContact CG-CG2 3.62Å; F49-T274 HydrophobicContact CZ-CG2 4.27Å; F49-H277 HydrophobicContact CB-CB 4.07Å; F49-H277 HydrophobicContact CD2-CB 3.96Å; F49-H277 HydrophobicContact CG-CB 4.46Å; F49-V278 HydrophobicContact CB-CG2 4.16Å
50	T	95.3	Very high	71.5	Confident	84 Å²	84	100.3 Å²	100.3	52%	0.515	54%	0.541	S	S	.	.			trans	-120.7	111.8	171.2	-56.4	0	0	0	0	108.7	Q52	T50-Q52 PolarHBondContact O-N 3.09Å
51	F	95.2	Very high	73.9	Confident	35 Å²	35	94.9 Å²	94.9	15%	0.154	52%	0.524	C	S	.	.			trans	-65.5	128.6	175.4	-179.5	-103.8	0	0	0	110.4	F49 P53 A242 E244 H277	F49-F51 HydrophobicContact CE2-CB 4.11Å; F51-P53 HydrophobicContact CE1-CB 3.87Å; F51-P53 HydrophobicContact CZ-CB 4.4Å; F51-A242 HydrophobicContact CD1-CB 3.98Å; F51-A242 HydrophobicContact CD2-CB 3.55Å; F51-A242 HydrophobicContact CE1-CB 3.9Å; F51-A242 HydrophobicContact CE2-CB 3.51Å; F51-A242 HydrophobicContact CG-CB 3.81Å; F51-A242 HydrophobicContact CZ-CB 3.69Å; F51-E244 HydrophobicContact CE1-CB 4.49Å; F51-E244 HydrophobicContact CZ-CB 4.49Å; F51-H277 AromaticContact CD2-CE1 3.3Å; F51-H277 WeakPolarHBondContact CD2-CE1 3.48Å; F51-H277 AromaticContact CD2-ND1 3.95Å; F51-H277 AromaticContact CD2-NE2 3.5Å; F51-H277 AromaticContact CE2-CE1 3.59Å; F51-H277 AromaticContact CE2-NE2 3.88Å
52	Q	90	Very high	76.9	Confident	88 Å²	88	92.4 Å²	92.4	41%	0.411	52%	0.52	S	S	.	.			trans	-115.2	119.9	168.4	-65.3	-175.8	0	0	0	108.3	T50	T50-Q52 PolarHBondContact O-N 3.09Å
53	P	88.5	Confident	79.9	Confident	78 Å²	78	90.1 Å²	90.1	51%	0.506	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-64.9	144.2	179	28.2	-33.9	0	0	0	110.2	F51 E244	F51-P53 HydrophobicContact CE1-CB 3.87Å; F51-P53 HydrophobicContact CZ-CB 4.4Å; P53-E244 HydrophobicContact CB-CB 3.68Å
54	D	86.1	Confident	82.9	Confident	23 Å²	23	88.2 Å²	88.2	12%	0.123	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-69.6	153.2	170.2	-68.1	-29.5	0	0	0	109.6	R211 E244 K280	D54-R211 IonicContact OD1-NE 2.79Å; D54-R211 IonicContact OD1-NH2 3.8Å; D54-R211 IonicContact OD2-CZ 2.76Å; D54-R211 IonicContact OD2-NE 3.82Å; D54-R211 PolarHBondContact OD2-NE 3.35Å; D54-R211 IonicContact OD2-NH2 3.67Å; D54-R211 PolarHBondContact OD2-NH2 3.23Å; D54-E244 PolarHBondContact N-OE2 2.83Å; D54-K280 IonicContact OD1-NZ 3.04Å
55	P	85	Confident	85.8	Confident	111 Å²	111	84.4 Å²	84.4	72%	0.721	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-55.8	139.2	176	-23.6	33.7	0	0	0	110.9	T57	P55-T57 PolarHBondContact O-N 3.41Å
56	P	81.5	Confident	88.3	Confident	88 Å²	88	78 Å²	78	57%	0.571	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-57.6	125	175.4	-21	31.4	0	0	0	110.3	Q245	P56-Q245 HydrophobicContact CB-CB 4.13Å; P56-Q245 HydrophobicContact CB-CG 4.15Å; P56-Q245 HydrophobicContact CG-CB 4.44Å; P56-Q245 HydrophobicContact CG-CG 4.08Å
57	T	80	Confident	90.2	Very high	28 Å²	28	73.6 Å²	73.6	17%	0.172	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-80.7	136.9	172	176.7	0	0	0	0	110.4	P55 E59 Y60 L214 P247	P55-T57 PolarHBondContact O-N 3.41Å; T57-E59 WeakPolarHBondContact OG1-CB 3.46Å; T57-E59 PolarHBondContact OG1-N 2.95Å; T57-E59 VanDerWaalsContact OG1-N 3.12Å; T57-Y60 HydrophobicContact CG2-CD2 3.65Å; T57-Y60 HydrophobicContact CG2-CE2 4.22Å; T57-L214 HydrophobicContact CG2-CD1 3.81Å; T57-P247 HydrophobicContact CG2-CG 4.05Å
58	T	78.3	Confident	91.1	Very high	132 Å²	132	71.2 Å²	71.2	81%	0.81	39%	0.389	S	S	*	.	S	Bend	trans	-97.1	-1.2	171.1	54	0	0	0	0	112.4
59	E	84.8	Confident	91.4	Very high	152 Å²	152	70.2 Å²	70.2	71%	0.71	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-26.6	-170.7	-62.3	-177.7	159	0	0	113.2	T57	T57-E59 WeakPolarHBondContact OG1-CB 3.46Å; T57-E59 PolarHBondContact OG1-N 2.95Å; T57-E59 VanDerWaalsContact OG1-N 3.12Å
60	Y	88.1	Confident	91.6	Very high	94 Å²	94	73.3 Å²	73.3	37%	0.369	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	25.1	-170.2	-53.6	-67	0	0	0	113.6	T57 P247 Y251	T57-Y60 HydrophobicContact CG2-CD2 3.65Å; T57-Y60 HydrophobicContact CG2-CE2 4.22Å; Y60-P247 HydrophobicContact CD2-CG 4.16Å; Y60-P247 HydrophobicContact CG-CG 4.28Å; Y60-Y251 HydrophobicContact CD1-CG 4.29Å; Y60-Y251 HydrophobicContact CD2-CD2 4.39Å; Y60-Y251 HydrophobicContact CD2-CG 4.36Å; Y60-Y251 HydrophobicContact CE2-CD2 4.49Å; Y60-Y251 HydrophobicContact CG-CG 4.11Å
61	G	90.6	Very high	91.7	Very high	46 Å²	46	69.3 Å²	69.3	47%	0.474	37%	0.374	S	S	.	.	S	Bend	trans	77.8	-149.6	177.7	0	0	0	0	0	114
62	D	94.7	Very high	91.9	Very high	135 Å²	135	67.7 Å²	67.7	72%	0.722	37%	0.367	S	S	*	.			trans	-66.5	135.2	-173.6	-73.7	-22.5	0	0	0	112	P247 V248	D62-P247 CarbonylContact O-C 3.55Å; D62-P247 WeakPolarHBondContact O-CA 3.14Å; D62-V248 PolarHBondContact O-N 3.42Å
63	T	97	Very high	92.3	Very high	46 Å²	46	64.7 Å²	64.7	28%	0.282	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	149.6	178.9	65	0	0	0	0	112.3	Q245 V246 P247	T63-Q245 HydrophobicContact CG2-CB 4.45Å; T63-Q245 PolarHBondContact OG1-OE1 3.46Å; T63-V246 CarbonylContact C-O 3.5Å; T63-V246 VanDerWaalsContact CA-O 3.3Å; T63-V246 WeakPolarHBondContact CA-O 3.36Å; T63-P247 HydrophobicContact CG2-CG 4.29Å
64	Q	97.1	Very high	92.8	Very high	113 Å²	113	61.7 Å²	61.7	53%	0.528	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.8	168.4	-69.8	179.3	21	0	0	110.9	M66 V246 V248	Q64-M66 HydrophobicContact CB-CE 4Å; Q64-M66 PolarHBondContact O-N 3.09Å; Q64-V246 PolarHBondContact N-O 3.18Å; Q64-V246 PolarHBondContact O-N 2.8Å; Q64-V248 HydrophobicContact CB-CG2 4.25Å; Q64-V248 HydrophobicContact CG-CG2 3.58Å
65	K	97.7	Very high	93.4	Very high	154 Å²	154	60.6 Å²	60.6	67%	0.67	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	114.5	171.3	-75.2	-172.8	176.7	-179.8	0	109.8	V243 E244	K65-V243 HydrophobicContact CB-CG1 4.27Å; K65-E244 WeakPolarHBondContact CA-O 3.18Å
66	M	98.5	Very high	94.1	Very high	16 Å²	16	55.3 Å²	55.3	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.8	177.2	-59.8	-172.7	-168.4	0	0	109.7	Q64 Q70 V243 E244 V246	Q64-M66 HydrophobicContact CB-CE 4Å; Q64-M66 PolarHBondContact O-N 3.09Å; M66-Q70 HydrophobicContact CB-CB 3.93Å; M66-Q70 HydrophobicContact CG-CB 4.34Å; M66-V243 WeakPolarHBondContact O-CA 3.45Å; M66-E244 PolarHBondContact N-O 2.75Å; M66-E244 PolarHBondContact O-N 3.41Å; M66-V246 HydrophobicContact CB-CB 4.14Å; M66-V246 HydrophobicContact CB-CG2 3.9Å; M66-V246 HydrophobicContact CG-CB 4.12Å; M66-V246 HydrophobicContact CG-CG2 4.44Å; M66-V246 HydrophobicContact SD-CB 3.95Å; M66-V246 HydrophobicContact SD-CG1 4.03Å
67	N	98.5	Very high	94.9	Very high	18 Å²	18	53 Å²	53	10%	0.096	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	176.3	158.6	66.2	36	0	0	0	111.4	F69 Q70 S71 Y239 A242 V243	N67-F69 WeakPolarHBondContact ND2-CE1 3.14Å; N67-F69 PolarHBondContact O-N 2.91Å; N67-F69 WeakPolarHBondContact OD1-CD1 3.36Å; N67-F69 VanDerWaalsContact OD1-CE1 3.26Å; N67-F69 WeakPolarHBondContact OD1-CE1 3.47Å; N67-F69 WeakPolarHBondContact OD1-CG 3.18Å; N67-F69 PolarHBondContact OD1-N 3.43Å; N67-Q70 VanDerWaalsContact CG-OE1 3.23Å; N67-Q70 PolarHBondContact ND2-OE1 3.29Å; N67-Q70 PolarHBondContact O-N 2.98Å; N67-Q70 WeakPolarHBondContact OD1-CB 3.44Å; N67-Q70 WeakPolarHBondContact OD1-CG 3.26Å; N67-Q70 PolarHBondContact OD1-N 3.18Å; N67-Q70 PolarHBondContact OD1-OE1 2.81Å; N67-S71 PolarHBondContact O-N 3.44Å; N67-Y239 VanDerWaalsContact CB-O 3.31Å; N67-Y239 WeakPolarHBondContact CB-O 3.25Å; N67-Y239 PolarHBondContact OD1-O 2.65Å; N67-A242 WeakPolarHBondContact CA-O 3.48Å; N67-A242 WeakPolarHBondContact CB-O 3.38Å; N67-V243 HydrophobicContact CB-CG2 4.05Å
68	L	98.7	Very high	95.8	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-40.5	-172.6	-171.7	150.2	0	0	0	111.7	Q70 S71 I72 P213 A216 L238 Y239	L68-Q70 VanDerWaalsContact C-N 3.28Å; L68-Q70 PolarHBondContact O-N 3.28Å; L68-S71 PolarHBondContact O-N 3.37Å; L68-S71 PolarHBondContact O-OG 2.89Å; L68-I72 HydrophobicContact CD2-CG1 4.09Å; L68-I72 WeakPolarHBondContact O-CG1 3.48Å; L68-I72 PolarHBondContact O-N 3.29Å; L68-I72 VanDerWaalsContact O-N 3.08Å; L68-P213 HydrophobicContact CB-CG 4.1Å; L68-A216 HydrophobicContact CD1-CB 4.18Å; L68-A216 HydrophobicContact CG-CB 3.99Å; L68-L238 HydrophobicContact CB-CB 4.47Å; L68-L238 HydrophobicContact CD1-CB 3.88Å; L68-L238 HydrophobicContact CD1-CD1 4.29Å; L68-Y239 HydrophobicContact CD2-CD1 3.44Å; L68-Y239 VanDerWaalsContact CD2-CD1 3.44Å; L68-Y239 HydrophobicContact CD2-CE1 3.58Å; L68-Y239 PolarHBondContact N-O 2.85Å
69	F	98.7	Very high	96.8	Very high	20 Å²	20	47 Å²	47	9%	0.088	24%	0.24	C	C	.	.	H	α-helix	trans	-66.1	-34.7	178.1	82.6	-105.5	0	0	0	111.7	N67 I72 T73 R100 Y239 R240	N67-F69 WeakPolarHBondContact ND2-CE1 3.14Å; N67-F69 PolarHBondContact O-N 2.91Å; N67-F69 WeakPolarHBondContact OD1-CD1 3.36Å; N67-F69 VanDerWaalsContact OD1-CE1 3.26Å; N67-F69 WeakPolarHBondContact OD1-CE1 3.47Å; N67-F69 WeakPolarHBondContact OD1-CG 3.18Å; N67-F69 PolarHBondContact OD1-N 3.43Å; F69-I72 WeakPolarHBondContact O-CB 3.42Å; F69-I72 PolarHBondContact O-N 3.04Å; F69-T73 PolarHBondContact O-N 2.76Å; F69-T73 PolarHBondContact O-OG1 2.95Å; F69-T73 VanDerWaalsContact O-OG1 3.05Å; F69-R100 HydrophobicContact CD2-CB 4.02Å; F69-R100 HydrophobicContact CE2-CB 3.96Å; F69-Y239 HydrophobicContact CB-CD1 3.58Å; F69-Y239 HydrophobicContact CB-CE1 4.26Å; F69-Y239 HydrophobicContact CB-CG 4.13Å; F69-Y239 VanDerWaalsContact CD1-O 3.28Å; F69-Y239 WeakPolarHBondContact CD1-O 3.48Å; F69-Y239 PolarHBondContact N-O 2.81Å; F69-R240 HydrophobicContact CD1-CG 4.17Å; F69-R240 HydrophobicContact CE1-CG 4.11Å
70	Q	98.9	Very high	97.5	Very high	79 Å²	79	39.9 Å²	39.9	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-67.5	-37.1	176.6	-72.9	170.6	-40.8	0	0	112	M66 N67 L68 I72 T73 S74	M66-Q70 HydrophobicContact CB-CB 3.93Å; M66-Q70 HydrophobicContact CG-CB 4.34Å; N67-Q70 VanDerWaalsContact CG-OE1 3.23Å; N67-Q70 PolarHBondContact ND2-OE1 3.29Å; N67-Q70 PolarHBondContact O-N 2.98Å; N67-Q70 WeakPolarHBondContact OD1-CB 3.44Å; N67-Q70 WeakPolarHBondContact OD1-CG 3.26Å; N67-Q70 PolarHBondContact OD1-N 3.18Å; N67-Q70 PolarHBondContact OD1-OE1 2.81Å; L68-Q70 VanDerWaalsContact C-N 3.28Å; L68-Q70 PolarHBondContact O-N 3.28Å; Q70-I72 VanDerWaalsContact C-N 3.34Å; Q70-T73 WeakPolarHBondContact O-CB 3.46Å; Q70-T73 PolarHBondContact O-N 2.64Å; Q70-S74 WeakPolarHBondContact O-CB 3.37Å; Q70-S74 PolarHBondContact O-N 3.49Å
71	S	98.8	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-33.8	176.2	77.4	0	0	0	0	112	N67 L68 S74 A75 P213	N67-S71 PolarHBondContact O-N 3.44Å; L68-S71 PolarHBondContact O-N 3.37Å; L68-S71 PolarHBondContact O-OG 2.89Å; S71-S74 PolarHBondContact O-N 3.44Å; S71-A75 PolarHBondContact O-N 3.16Å; S71-P213 WeakPolarHBondContact CB-O 3.45Å; S71-P213 WeakPolarHBondContact OG-CA 3.28Å; S71-P213 PolarHBondContact OG-O 3.42Å
72	I	98.9	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-49.4	168.1	-61.2	-62.9	0	0	0	110.4	L68 F69 Q70 S74 A75 L76 C101 A216 L220 F232 E234	L68-I72 HydrophobicContact CD2-CG1 4.09Å; L68-I72 WeakPolarHBondContact O-CG1 3.48Å; L68-I72 PolarHBondContact O-N 3.29Å; L68-I72 VanDerWaalsContact O-N 3.08Å; F69-I72 WeakPolarHBondContact O-CB 3.42Å; F69-I72 PolarHBondContact O-N 3.04Å; Q70-I72 VanDerWaalsContact C-N 3.34Å; I72-S74 VanDerWaalsContact C-N 3.26Å; I72-S74 PolarHBondContact O-N 2.92Å; I72-A75 WeakPolarHBondContact O-CB 3.44Å; I72-A75 PolarHBondContact O-N 2.84Å; I72-L76 HydrophobicContact CG2-CD1 3.89Å; I72-L76 HydrophobicContact CG2-CG 4.35Å; I72-L76 VanDerWaalsContact O-CG 3.27Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.31Å; I72-C101 HydrophobicContact CB-CB 4.46Å; I72-C101 HydrophobicContact CG2-CB 3.89Å; I72-A216 HydrophobicContact CD1-CB 4Å; I72-L220 HydrophobicContact CD1-CD2 3.76Å; I72-L220 HydrophobicContact CG2-CD2 3.95Å; I72-F232 HydrophobicContact CD1-CE1 3.63Å; I72-F232 HydrophobicContact CD1-CZ 4.31Å; I72-E234 HydrophobicContact CD1-CG 3.96Å; I72-E234 HydrophobicContact CG1-CG 4.36Å
73	T	98.9	Very high	98.6	Very high	25 Å²	25	36 Å²	36	15%	0.153	20%	0.198	C	C	.	.	H	α-helix	trans	-56.8	-42.1	175.5	-52.3	0	0	0	0	111.6	F69 Q70 L76 D77 C101 L105	F69-T73 PolarHBondContact O-N 2.76Å; F69-T73 PolarHBondContact O-OG1 2.95Å; F69-T73 VanDerWaalsContact O-OG1 3.05Å; Q70-T73 WeakPolarHBondContact O-CB 3.46Å; Q70-T73 PolarHBondContact O-N 2.64Å; T73-L76 PolarHBondContact O-N 2.77Å; T73-D77 VanDerWaalsContact O-CB 3.29Å; T73-D77 WeakPolarHBondContact O-CB 3.47Å; T73-D77 PolarHBondContact O-N 3.35Å; T73-C101 VanDerWaalsContact CA-O 3.32Å; T73-C101 WeakPolarHBondContact CA-O 3.14Å; T73-C101 WeakPolarHBondContact CB-O 3.5Å; T73-C101 VanDerWaalsContact OG1-C 3.27Å; T73-C101 PolarHBondContact OG1-O 3.33Å; T73-L105 HydrophobicContact CG2-CD2 4.15Å; T73-L105 HydrophobicContact CG2-CG 4.31Å
74	S	98.9	Very high	98.6	Very high	16 Å²	16	39 Å²	39	11%	0.112	22%	0.218	C	C	.	.	H	α-helix	trans	-63.9	-41.5	178.4	-179.3	0	0	0	0	112.7	Q70 S71 I72 D77 N78 K217	Q70-S74 WeakPolarHBondContact O-CB 3.37Å; Q70-S74 PolarHBondContact O-N 3.49Å; S71-S74 PolarHBondContact O-N 3.44Å; I72-S74 VanDerWaalsContact C-N 3.26Å; I72-S74 PolarHBondContact O-N 2.92Å; S74-D77 PolarHBondContact O-N 3.39Å; S74-N78 WeakPolarHBondContact O-CB 3.41Å; S74-N78 VanDerWaalsContact O-CG 3.24Å; S74-N78 PolarHBondContact O-N 2.93Å; S74-N78 PolarHBondContact O-OD1 3.08Å; S74-K217 PolarHBondContact OG-NZ 3.22Å
75	A	98.9	Very high	98.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-45.1	174.3	0	0	0	0	0	112	S71 I72 N78 T79 K217 L220 L221	S71-A75 PolarHBondContact O-N 3.16Å; I72-A75 WeakPolarHBondContact O-CB 3.44Å; I72-A75 PolarHBondContact O-N 2.84Å; A75-N78 PolarHBondContact O-N 3.31Å; A75-T79 PolarHBondContact O-N 3.09Å; A75-T79 PolarHBondContact O-OG1 3.02Å; A75-K217 HydrophobicContact CB-CB 4.41Å; A75-K217 HydrophobicContact CB-CG 4.07Å; A75-L220 HydrophobicContact CB-CB 4.33Å; A75-L220 HydrophobicContact CB-CD2 3.85Å; A75-L220 HydrophobicContact CB-CG 4.2Å; A75-L221 HydrophobicContact CB-CD2 4.19Å; A75-L221 HydrophobicContact CB-CG 3.96Å; A75-L221 WeakPolarHBondContact O-CD2 3.47Å
76	L	98.9	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.3	-41	179	-65.3	174.7	0	0	0	111.8	I72 T73 T79 L80 I88 T102 L105 I139 L220 I224	I72-L76 HydrophobicContact CG2-CD1 3.89Å; I72-L76 HydrophobicContact CG2-CG 4.35Å; I72-L76 VanDerWaalsContact O-CG 3.27Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.31Å; T73-L76 PolarHBondContact O-N 2.77Å; L76-T79 PolarHBondContact O-N 3.47Å; L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 2.93Å; L76-I88 HydrophobicContact CB-CD1 3.85Å; L76-I88 HydrophobicContact CD1-CD1 4.16Å; L76-I88 HydrophobicContact CD2-CD1 3.95Å; L76-I88 HydrophobicContact CG-CD1 4.19Å; L76-T102 HydrophobicContact CD1-CG2 3.99Å; L76-L105 HydrophobicContact CB-CD1 3.63Å; L76-L105 HydrophobicContact CD1-CD1 4.13Å; L76-I139 HydrophobicContact CD2-CD1 4.11Å; L76-I139 HydrophobicContact CD2-CG2 3.84Å; L76-L220 HydrophobicContact CD2-CD2 4.27Å; L76-L220 HydrophobicContact CG-CD2 4.4Å; L76-I224 HydrophobicContact CD2-CD1 4.29Å
77	D	98.9	Very high	98.8	Very high	39 Å²	39	29.5 Å²	29.5	21%	0.209	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-50.9	174.3	-170.4	-21.1	0	0	0	110.9	T73 S74 T79 L80 A81 L105 K108 Y109	T73-D77 VanDerWaalsContact O-CB 3.29Å; T73-D77 WeakPolarHBondContact O-CB 3.47Å; T73-D77 PolarHBondContact O-N 3.35Å; S74-D77 PolarHBondContact O-N 3.39Å; D77-T79 VanDerWaalsContact C-N 3.28Å; D77-T79 PolarHBondContact O-N 3.14Å; D77-L80 PolarHBondContact O-N 3.07Å; D77-A81 WeakPolarHBondContact O-CB 3.33Å; D77-A81 PolarHBondContact O-N 2.88Å; D77-L105 HydrophobicContact CB-CD2 3.82Å; D77-K108 IonicContact OD1-NZ 2.68Å; D77-K108 PolarHBondContact OD1-NZ 3.3Å; D77-K108 IonicContact OD2-NZ 2.81Å; D77-K108 PolarHBondContact OD2-NZ 3.46Å; D77-Y109 PolarHBondContact O-OH 3Å; D77-Y109 VanDerWaalsContact O-OH 3.09Å; D77-Y109 PolarHBondContact OD1-OH 2.71Å
78	N	98.8	Very high	98.8	Very high	28 Å²	28	28.6 Å²	28.6	15%	0.15	18%	0.178	C	C	.	.	H	α-helix	trans	-57	-40.5	176.3	-76.7	171.8	0	0	0	112.9	S74 A75 S82 K217 L221 V248 S250	S74-N78 WeakPolarHBondContact O-CB 3.41Å; S74-N78 VanDerWaalsContact O-CG 3.24Å; S74-N78 PolarHBondContact O-N 2.93Å; S74-N78 PolarHBondContact O-OD1 3.08Å; A75-N78 PolarHBondContact O-N 3.31Å; N78-S82 PolarHBondContact O-N 2.89Å; N78-S82 PolarHBondContact O-OG 3.16Å; N78-K217 WeakPolarHBondContact OD1-CE 3.31Å; N78-K217 PolarHBondContact OD1-NZ 2.97Å; N78-L221 HydrophobicContact CB-CD2 4.3Å; N78-V248 PolarHBondContact OD1-O 3.15Å; N78-S250 VanDerWaalsContact CB-OG 3.29Å; N78-S250 WeakPolarHBondContact CB-OG 3.42Å; N78-S250 PolarHBondContact OD1-N 3.38Å; N78-S250 PolarHBondContact OD1-OG 3.02Å
79	T	98.9	Very high	98.8	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-64.9	-51.9	176.9	-57.5	0	0	0	0	111.1	A75 L76 D77 A81 S82 D83 A86 I139 L221 I224	A75-T79 PolarHBondContact O-N 3.09Å; A75-T79 PolarHBondContact O-OG1 3.02Å; L76-T79 PolarHBondContact O-N 3.47Å; D77-T79 VanDerWaalsContact C-N 3.28Å; D77-T79 PolarHBondContact O-N 3.14Å; T79-A81 PolarHBondContact O-N 2.89Å; T79-S82 PolarHBondContact O-N 3.15Å; T79-S82 PolarHBondContact O-OG 3.29Å; T79-D83 PolarHBondContact O-N 2.95Å; T79-A86 HydrophobicContact CG2-CB 3.92Å; T79-I139 HydrophobicContact CG2-CD1 3.94Å; T79-L221 WeakPolarHBondContact OG1-CD2 3.45Å; T79-I224 HydrophobicContact CG2-CD1 4.38Å; T79-I224 HydrophobicContact CG2-CG2 3.49Å; T79-I224 VanDerWaalsContact CG2-CG2 3.49Å; T79-I224 WeakPolarHBondContact OG1-CD1 3.35Å
80	L	98.9	Very high	98.8	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-30.7	-178.6	-69	174.4	0	0	0	112.4	L76 D77 A86 I88 L105 Y109 R113 V114	L76-L80 WeakPolarHBondContact O-CG 3.26Å; L76-L80 PolarHBondContact O-N 2.93Å; D77-L80 PolarHBondContact O-N 3.07Å; L80-A86 HydrophobicContact CD2-CB 3.98Å; L80-A86 VanDerWaalsContact CD2-O 3.31Å; L80-A86 WeakPolarHBondContact CD2-O 3.34Å; L80-I88 HydrophobicContact CD1-CD1 3.64Å; L80-I88 HydrophobicContact CD1-CG1 4.37Å; L80-I88 HydrophobicContact CD2-CD1 4.4Å; L80-I88 HydrophobicContact CD2-CG1 4.34Å; L80-I88 HydrophobicContact CG-CD1 4.12Å; L80-L105 HydrophobicContact CD1-CB 4.32Å; L80-L105 HydrophobicContact CD1-CD1 4.44Å; L80-Y109 HydrophobicContact CB-CD1 3.81Å; L80-Y109 HydrophobicContact CB-CD2 3.67Å; L80-Y109 HydrophobicContact CB-CE1 3.8Å; L80-Y109 HydrophobicContact CB-CE2 3.62Å; L80-Y109 HydrophobicContact CB-CG 3.75Å; L80-Y109 HydrophobicContact CD1-CD2 3.35Å; L80-Y109 HydrophobicContact CD1-CE2 3.89Å; L80-Y109 HydrophobicContact CD1-CG 3.81Å; L80-Y109 HydrophobicContact CG-CD2 4.16Å; L80-Y109 HydrophobicContact CG-CE2 4.42Å; L80-Y109 HydrophobicContact CG-CG 4.37Å; L80-R113 PolarHBondContact O-NH1 2.62Å; L80-R113 PolarHBondContact O-NH2 2.84Å; L80-V114 HydrophobicContact CD1-CG2 3.91Å
81	A	98.8	Very high	98.8	Very high	67 Å²	67	24.5 Å²	24.5	55%	0.554	16%	0.158	S	C	*	.	H	α-helix	trans	-67.1	-40.4	175.4	0	0	0	0	0	113	D77 T79 Y109	D77-A81 WeakPolarHBondContact O-CB 3.33Å; D77-A81 PolarHBondContact O-N 2.88Å; T79-A81 PolarHBondContact O-N 2.89Å; A81-Y109 WeakPolarHBondContact CB-OH 3.43Å
82	S	98.2	Very high	98.8	Very high	92 Å²	92	27.9 Å²	27.9	64%	0.643	18%	0.177	S	C	*	.	H	α-helix	trans	-95.4	-30.2	-170.1	54.8	0	0	0	0	113.6	N78 T79	N78-S82 PolarHBondContact O-N 2.89Å; N78-S82 PolarHBondContact O-OG 3.16Å; T79-S82 PolarHBondContact O-N 3.15Å; T79-S82 PolarHBondContact O-OG 3.29Å
83	D	98.7	Very high	98.8	Very high	34 Å²	34	27.9 Å²	27.9	18%	0.182	18%	0.177	C	C	.	.			trans	-111.2	110.1	178.6	177.9	1.5	0	0	0	110.2	T79 T85 A86 R113 T137	T79-D83 PolarHBondContact O-N 2.95Å; D83-T85 PolarHBondContact O-N 3.05Å; D83-T85 WeakPolarHBondContact OD1-CA 3.39Å; D83-T85 WeakPolarHBondContact OD1-CB 3.46Å; D83-T85 PolarHBondContact OD1-N 3.39Å; D83-T85 PolarHBondContact OD1-OG1 3.02Å; D83-T85 PolarHBondContact OD2-OG1 3.41Å; D83-A86 HydrophobicContact CB-CB 4.08Å; D83-A86 PolarHBondContact O-N 2.99Å; D83-R113 PolarHBondContact O-NH2 3.45Å; D83-T137 WeakPolarHBondContact OD2-CB 3.43Å; D83-T137 PolarHBondContact OD2-OG1 3Å
84	P	98.5	Very high	98.8	Very high	109 Å²	109	27.5 Å²	27.5	71%	0.708	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-16	179.5	29.7	-35.1	0	0	0	113.6
85	T	98.8	Very high	98.7	Very high	60 Å²	60	33.5 Å²	33.5	37%	0.368	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-17.7	179.2	77.5	0	0	0	0	112.6	D83 V87 T137	D83-T85 PolarHBondContact O-N 3.05Å; D83-T85 WeakPolarHBondContact OD1-CA 3.39Å; D83-T85 WeakPolarHBondContact OD1-CB 3.46Å; D83-T85 PolarHBondContact OD1-N 3.39Å; D83-T85 PolarHBondContact OD1-OG1 3.02Å; D83-T85 PolarHBondContact OD2-OG1 3.41Å; T85-V87 PolarHBondContact O-N 3.22Å; T85-T137 PolarHBondContact OG1-N 3.5Å
86	A	98.9	Very high	98.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.201	C	C	.	.			trans	-65.3	134.8	-172.6	0	0	0	0	0	112.7	T79 L80 D83 R113 T137	T79-A86 HydrophobicContact CG2-CB 3.92Å; L80-A86 HydrophobicContact CD2-CB 3.98Å; L80-A86 VanDerWaalsContact CD2-O 3.31Å; L80-A86 WeakPolarHBondContact CD2-O 3.34Å; D83-A86 HydrophobicContact CB-CB 4.08Å; D83-A86 PolarHBondContact O-N 2.99Å; A86-R113 VanDerWaalsContact O-CZ 3.27Å; A86-R113 PolarHBondContact O-NE 2.94Å; A86-R113 PolarHBondContact O-NH2 3.17Å; A86-T137 CarbonylContact C-O 3.57Å; A86-T137 VanDerWaalsContact CA-O 3.26Å; A86-T137 WeakPolarHBondContact CA-O 3.15Å; A86-T137 HydrophobicContact CB-CG2 4.08Å
87	V	98.9	Very high	98.6	Very high	24 Å²	24	33.6 Å²	33.6	15%	0.145	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143	175.8	-63.5	0	0	0	0	110.7	T85 F89 R113 F115 T137 I139	T85-V87 PolarHBondContact O-N 3.22Å; V87-F89 HydrophobicContact CB-CD1 4.49Å; V87-F89 HydrophobicContact CG2-CD1 3.89Å; V87-F89 HydrophobicContact CG2-CE1 3.92Å; V87-R113 CarbonylContact C-O 3.54Å; V87-R113 WeakPolarHBondContact CA-O 3.23Å; V87-F115 HydrophobicContact CB-CE1 4.11Å; V87-F115 HydrophobicContact CG1-CE1 4.44Å; V87-T137 PolarHBondContact N-O 3.08Å; V87-I139 WeakPolarHBondContact O-CB 3.03Å; V87-I139 PolarHBondContact O-N 2.86Å
88	I	99	Very high	98.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.7	175.9	-56.4	173.1	0	0	0	108.5	L76 L80 T102 L105 R113 V114 F115 I139	L76-I88 HydrophobicContact CB-CD1 3.85Å; L76-I88 HydrophobicContact CD1-CD1 4.16Å; L76-I88 HydrophobicContact CD2-CD1 3.95Å; L76-I88 HydrophobicContact CG-CD1 4.19Å; L80-I88 HydrophobicContact CD1-CD1 3.64Å; L80-I88 HydrophobicContact CD1-CG1 4.37Å; L80-I88 HydrophobicContact CD2-CD1 4.4Å; L80-I88 HydrophobicContact CD2-CG1 4.34Å; L80-I88 HydrophobicContact CG-CD1 4.12Å; I88-T102 HydrophobicContact CG2-CG2 3.99Å; I88-L105 HydrophobicContact CD1-CD1 3.77Å; I88-R113 PolarHBondContact N-O 3.4Å; I88-V114 HydrophobicContact CB-CG1 4.45Å; I88-V114 HydrophobicContact CB-CG2 4.4Å; I88-V114 WeakPolarHBondContact O-CA 3.32Å; I88-F115 PolarHBondContact O-N 3.14Å; I88-F115 VanDerWaalsContact O-N 3.13Å; I88-I139 WeakPolarHBondContact CA-O 3.41Å; I88-I139 HydrophobicContact CG1-CB 4.1Å; I88-I139 HydrophobicContact CG1-CD1 4.08Å; I88-I139 HydrophobicContact CG1-CG2 4.45Å
89	F	98.9	Very high	98.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	153.4	-177.6	57.5	-90.7	0	0	0	112	V87 F115 T117 I124 F127 G128 A138 I139 A140 E141	V87-F89 HydrophobicContact CB-CD1 4.49Å; V87-F89 HydrophobicContact CG2-CD1 3.89Å; V87-F89 HydrophobicContact CG2-CE1 3.92Å; F89-F115 VanDerWaalsContact CA-O 3.31Å; F89-F115 WeakPolarHBondContact CA-O 3.42Å; F89-F115 HydrophobicContact CB-CD2 3.75Å; F89-F115 HydrophobicContact CB-CE1 4.24Å; F89-F115 HydrophobicContact CB-CE2 3.36Å; F89-F115 HydrophobicContact CB-CG 4.34Å; F89-F115 HydrophobicContact CB-CZ 3.64Å; F89-F115 HydrophobicContact CD1-CE2 4.44Å; F89-F115 AromaticContact CD1-CZ 3.99Å; F89-F115 HydrophobicContact CD1-CZ 3.99Å; F89-F115 HydrophobicContact CG-CE2 4.01Å; F89-F115 HydrophobicContact CG-CZ 4.03Å; F89-T117 HydrophobicContact CB-CG2 4.05Å; F89-T117 HydrophobicContact CD2-CG2 4.04Å; F89-T117 HydrophobicContact CG-CG2 4.49Å; F89-I124 HydrophobicContact CD2-CG2 4.18Å; F89-I124 HydrophobicContact CE2-CG2 4.05Å; F89-I124 WeakPolarHBondContact CE2-O 3.5Å; F89-F127 HydrophobicContact CD1-CD1 4.36Å; F89-F127 AromaticContact CD1-CE1 3.99Å; F89-F127 HydrophobicContact CD1-CE1 3.99Å; F89-F127 AromaticContact CD2-CD1 3.84Å; F89-F127 HydrophobicContact CD2-CD1 3.84Å; F89-F127 HydrophobicContact CD2-CE1 4.18Å; F89-F127 HydrophobicContact CE1-CD1 4.23Å; F89-F127 HydrophobicContact CE1-CE1 4.09Å; F89-F127 AromaticContact CE2-CD1 3.69Å; F89-F127 HydrophobicContact CE2-CD1 3.69Å; F89-F127 HydrophobicContact CE2-CE1 4.28Å; F89-F127 HydrophobicContact CG-CD1 4.2Å; F89-F127 HydrophobicContact CG-CE1 4.05Å; F89-F127 AromaticContact CZ-CD1 3.92Å; F89-F127 HydrophobicContact CZ-CD1 3.92Å; F89-F127 HydrophobicContact CZ-CE1 4.26Å; F89-G128 VanDerWaalsContact CZ-CA 3.42Å; F89-A138 HydrophobicContact CE1-CB 3.97Å; F89-A138 HydrophobicContact CZ-CB 4.14Å; F89-I139 PolarHBondContact N-O 3.2Å; F89-I139 VanDerWaalsContact N-O 3.14Å; F89-A140 HydrophobicContact CD2-CB 4.39Å; F89-A140 HydrophobicContact CE2-CB 3.59Å; F89-A140 HydrophobicContact CZ-CB 3.82Å; F89-A140 CarbonylContact O-C 3.59Å; F89-A140 WeakPolarHBondContact O-CA 3.4Å; F89-E141 PolarHBondContact O-N 3.17Å
90	G	98.9	Very high	98.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-170.9	-179.7	0	0	0	0	0	110.5	D92 N116 T117	G90-D92 PolarHBondContact O-N 3.4Å; G90-N116 VanDerWaalsContact O-CA 3.29Å; G90-N116 WeakPolarHBondContact O-CA 3.39Å; G90-T117 WeakPolarHBondContact CA-OG1 3.42Å; G90-T117 PolarHBondContact O-N 3.49Å; G90-T117 PolarHBondContact O-OG1 2.82Å
91	E	98.8	Very high	98.6	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.056	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	122.7	178.3	-72.1	163.5	-157.9	0	0	110.9	V93 L119 C120 I124	E91-V93 PolarHBondContact O-N 3.22Å; E91-V93 VanDerWaalsContact O-N 3.11Å; E91-L119 HydrophobicContact CG-CB 4.45Å; E91-L119 HydrophobicContact CG-CG 4.28Å; E91-L119 VanDerWaalsContact OE1-CA 3.25Å; E91-L119 WeakPolarHBondContact OE1-CA 3.47Å; E91-C120 PolarHBondContact OE1-N 3Å; E91-C120 VanDerWaalsContact OE1-N 3.14Å; E91-I124 HydrophobicContact CG-CD1 4.06Å
92	D	98.5	Very high	98.6	Very high	71 Å²	71	39 Å²	39	38%	0.38	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	17.7	175.7	-50.3	-56.7	0	0	0	116.7	G90 A94 F95 G97 N116 Q143	G90-D92 PolarHBondContact O-N 3.4Å; D92-A94 PolarHBondContact O-N 3.29Å; D92-F95 HydrophobicContact CB-CD1 3.96Å; D92-F95 HydrophobicContact CB-CE1 3.64Å; D92-F95 WeakPolarHBondContact O-CD1 3.26Å; D92-F95 WeakPolarHBondContact O-CE1 3.4Å; D92-G97 VanDerWaalsContact O-CA 3.31Å; D92-G97 WeakPolarHBondContact O-CA 3.37Å; D92-G97 PolarHBondContact O-N 2.82Å; D92-G97 VanDerWaalsContact O-N 3.08Å; D92-N116 VanDerWaalsContact C-OD1 3.25Å; D92-N116 VanDerWaalsContact CA-OD1 3.28Å; D92-N116 WeakPolarHBondContact CA-OD1 3.48Å; D92-N116 PolarHBondContact N-OD1 2.95Å; D92-Q143 PolarHBondContact OD2-NE2 3.01Å
93	V	98.8	Very high	98.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-65.9	-24	178	-59.4	0	0	0	0	113.5	E91 F95 G96 T102 F115 N116 E141	E91-V93 PolarHBondContact O-N 3.22Å; E91-V93 VanDerWaalsContact O-N 3.11Å; V93-F95 PolarHBondContact O-N 2.91Å; V93-G96 PolarHBondContact O-N 2.76Å; V93-T102 HydrophobicContact CB-CG2 4.42Å; V93-T102 PolarHBondContact O-OG1 2.86Å; V93-F115 WeakPolarHBondContact CG2-O 3.25Å; V93-N116 PolarHBondContact N-OD1 2.81Å; V93-E141 HydrophobicContact CG1-CB 3.77Å; V93-E141 HydrophobicContact CG1-CG 4.31Å
94	A	98.4	Very high	98.6	Very high	18 Å²	18	38.2 Å²	38.2	15%	0.149	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-66.7	-36.9	-173	0	0	0	0	0	113.9	D92 G96 R106 N116	D92-A94 PolarHBondContact O-N 3.29Å; A94-G96 VanDerWaalsContact C-N 3.27Å; A94-R106 WeakPolarHBondContact O-CD 3.46Å; A94-N116 WeakPolarHBondContact CB-OD1 3.48Å; A94-N116 PolarHBondContact N-OD1 3.24Å
95	F	97.7	Very high	98.6	Very high	142 Å²	142	33.1 Å²	33.1	62%	0.623	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-84.4	-8.2	177.9	89.4	-82.1	0	0	0	112.3	D92 V93 G97	D92-F95 HydrophobicContact CB-CD1 3.96Å; D92-F95 HydrophobicContact CB-CE1 3.64Å; D92-F95 WeakPolarHBondContact O-CD1 3.26Å; D92-F95 WeakPolarHBondContact O-CE1 3.4Å; V93-F95 PolarHBondContact O-N 2.91Å; F95-G97 WeakPolarHBondContact CZ-O 3.44Å
96	G	97.8	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	126.3	-1.1	-179.6	0	0	0	0	0	115.4	V93 A94 R100 C101 T102	V93-G96 PolarHBondContact O-N 2.76Å; A94-G96 VanDerWaalsContact C-N 3.27Å; G96-R100 CarbonylContact O-C 3.26Å; G96-R100 WeakPolarHBondContact O-CA 3.45Å; G96-R100 PolarHBondContact O-N 3.19Å; G96-C101 PolarHBondContact O-N 2.91Å; G96-T102 VanDerWaalsContact CA-OG1 3.32Å; G96-T102 WeakPolarHBondContact CA-OG1 3.44Å; G96-T102 PolarHBondContact O-N 3.47Å; G96-T102 PolarHBondContact O-OG1 3.15Å; G96-T102 VanDerWaalsContact O-OG1 3.08Å
97	G	98	Very high	98.6	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	21%	0.213	C	C	.	.			trans	77.8	156.5	-178.4	0	0	0	0	0	113	D92 F95 F99 R100 T102	D92-G97 VanDerWaalsContact O-CA 3.31Å; D92-G97 WeakPolarHBondContact O-CA 3.37Å; D92-G97 PolarHBondContact O-N 2.82Å; D92-G97 VanDerWaalsContact O-N 3.08Å; F95-G97 WeakPolarHBondContact CZ-O 3.44Å; G97-F99 PolarHBondContact O-N 3.48Å; G97-R100 PolarHBondContact O-N 3.41Å; G97-T102 PolarHBondContact N-OG1 2.95Å
98	V	98.3	Very high	98.6	Very high	64 Å²	64	46.2 Å²	46.2	39%	0.388	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.5	-177.9	-60.6	0	0	0	0	112.9	Q143	V98-Q143 HydrophobicContact CG2-CG 3.71Å
99	F	98.4	Very high	98.6	Very high	48 Å²	48	48 Å²	48	21%	0.211	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	4.3	174.9	-69.6	-70.7	0	0	0	114.9	G97 C101 F144 P180 Y239	G97-F99 PolarHBondContact O-N 3.48Å; F99-C101 VanDerWaalsContact C-N 3.29Å; F99-C101 PolarHBondContact O-N 3.43Å; F99-F144 HydrophobicContact CE2-CD1 4.39Å; F99-F144 AromaticContact CE2-CE1 3.67Å; F99-F144 HydrophobicContact CE2-CE1 3.67Å; F99-F144 HydrophobicContact CE2-CE2 4.01Å; F99-F144 AromaticContact CE2-CZ 3.45Å; F99-F144 HydrophobicContact CE2-CZ 3.45Å; F99-F144 VanDerWaalsContact CE2-CZ 3.45Å; F99-F144 HydrophobicContact CZ-CD1 4.49Å; F99-F144 AromaticContact CZ-CE1 3.47Å; F99-F144 HydrophobicContact CZ-CE1 3.47Å; F99-F144 VanDerWaalsContact CZ-CE1 3.47Å; F99-F144 HydrophobicContact CZ-CE2 4.37Å; F99-F144 AromaticContact CZ-CZ 3.39Å; F99-F144 HydrophobicContact CZ-CZ 3.39Å; F99-P180 HydrophobicContact CD2-CB 4.13Å; F99-P180 HydrophobicContact CD2-CG 3.55Å; F99-P180 HydrophobicContact CE2-CB 3.82Å; F99-P180 HydrophobicContact CE2-CG 3.61Å; F99-P180 HydrophobicContact CZ-CB 4.48Å; F99-Y239 HydrophobicContact CB-CD2 4Å; F99-Y239 HydrophobicContact CB-CE2 3.73Å; F99-Y239 AromaticContact CD1-CD2 3.51Å; F99-Y239 HydrophobicContact CD1-CD2 3.51Å; F99-Y239 AromaticContact CD1-CE2 3.64Å; F99-Y239 HydrophobicContact CD1-CE2 3.64Å; F99-Y239 AromaticContact CD2-CE2 3.89Å; F99-Y239 HydrophobicContact CD2-CE2 3.89Å; F99-Y239 HydrophobicContact CE1-CD2 4.13Å; F99-Y239 HydrophobicContact CE1-CE2 4.22Å; F99-Y239 HydrophobicContact CE2-CE2 4.44Å; F99-Y239 AromaticContact CG-CD2 3.78Å; F99-Y239 HydrophobicContact CG-CD2 3.78Å; F99-Y239 AromaticContact CG-CE2 3.46Å; F99-Y239 HydrophobicContact CG-CE2 3.46Å; F99-Y239 VanDerWaalsContact CG-CE2 3.46Å
100	R	98.6	Very high	98.6	Very high	141 Å²	141	49.5 Å²	49.5	53%	0.532	25%	0.253	S	S	.	.	S	Bend	trans	69.2	11.2	-178.2	-58.9	-166.9	178	-167.7	-5.2	116.6	F69 G96 G97 T102 V103	F69-R100 HydrophobicContact CD2-CB 4.02Å; F69-R100 HydrophobicContact CE2-CB 3.96Å; G96-R100 CarbonylContact O-C 3.26Å; G96-R100 WeakPolarHBondContact O-CA 3.45Å; G96-R100 PolarHBondContact O-N 3.19Å; G97-R100 PolarHBondContact O-N 3.41Å; R100-T102 PolarHBondContact O-N 2.9Å; R100-V103 HydrophobicContact CB-CG2 3.65Å; R100-V103 HydrophobicContact CG-CG2 3.99Å; R100-V103 WeakPolarHBondContact O-CG2 3.27Å; R100-V103 PolarHBondContact O-N 3.35Å
101	C	98.8	Very high	98.6	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.5	-177.8	-63.9	0	0	0	0	114.2	I72 T73 G96 F99	I72-C101 HydrophobicContact CB-CB 4.46Å; I72-C101 HydrophobicContact CG2-CB 3.89Å; T73-C101 VanDerWaalsContact CA-O 3.32Å; T73-C101 WeakPolarHBondContact CA-O 3.14Å; T73-C101 WeakPolarHBondContact CB-O 3.5Å; T73-C101 VanDerWaalsContact OG1-C 3.27Å; T73-C101 PolarHBondContact OG1-O 3.33Å; G96-C101 PolarHBondContact O-N 2.91Å; F99-C101 VanDerWaalsContact C-N 3.29Å; F99-C101 PolarHBondContact O-N 3.43Å
102	T	98.9	Very high	98.5	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	14.6	-177.1	55.5	0	0	0	0	113.6	L76 I88 V93 G96 G97 R100 G104 L105	L76-T102 HydrophobicContact CD1-CG2 3.99Å; I88-T102 HydrophobicContact CG2-CG2 3.99Å; V93-T102 HydrophobicContact CB-CG2 4.42Å; V93-T102 PolarHBondContact O-OG1 2.86Å; G96-T102 VanDerWaalsContact CA-OG1 3.32Å; G96-T102 WeakPolarHBondContact CA-OG1 3.44Å; G96-T102 PolarHBondContact O-N 3.47Å; G96-T102 PolarHBondContact O-OG1 3.15Å; G96-T102 VanDerWaalsContact O-OG1 3.08Å; G97-T102 PolarHBondContact N-OG1 2.95Å; R100-T102 PolarHBondContact O-N 2.9Å; T102-G104 PolarHBondContact O-N 3.23Å; T102-L105 HydrophobicContact CG2-CD1 4.27Å; T102-L105 PolarHBondContact O-N 3.13Å
103	V	98.7	Very high	98.6	Very high	72 Å²	72	59.9 Å²	59.9	44%	0.436	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	132.8	-178.6	169	0	0	0	0	111.1	R100 L105	R100-V103 HydrophobicContact CB-CG2 3.65Å; R100-V103 HydrophobicContact CG-CG2 3.99Å; R100-V103 WeakPolarHBondContact O-CG2 3.27Å; R100-V103 PolarHBondContact O-N 3.35Å; V103-L105 PolarHBondContact O-N 3.45Å; V103-L105 VanDerWaalsContact O-N 3.15Å
104	G	98.6	Very high	98.6	Very high	37 Å²	37	59.9 Å²	59.9	38%	0.381	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	-13.9	176.3	0	0	0	0	0	115.3	T102 R106 D107 K108	T102-G104 PolarHBondContact O-N 3.23Å; G104-R106 PolarHBondContact O-N 3.26Å; G104-D107 PolarHBondContact O-N 3.19Å; G104-K108 WeakPolarHBondContact O-CB 3.3Å; G104-K108 PolarHBondContact O-N 3.32Å; G104-K108 VanDerWaalsContact O-N 3.09Å
105	L	98.9	Very high	98.6	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-39.7	-177.7	-61.2	-176.4	0	0	0	112	T73 L76 D77 L80 I88 T102 V103 K108 Y109 V114	T73-L105 HydrophobicContact CG2-CD2 4.15Å; T73-L105 HydrophobicContact CG2-CG 4.31Å; L76-L105 HydrophobicContact CB-CD1 3.63Å; L76-L105 HydrophobicContact CD1-CD1 4.13Å; D77-L105 HydrophobicContact CB-CD2 3.82Å; L80-L105 HydrophobicContact CD1-CB 4.32Å; L80-L105 HydrophobicContact CD1-CD1 4.44Å; I88-L105 HydrophobicContact CD1-CD1 3.77Å; T102-L105 HydrophobicContact CG2-CD1 4.27Å; T102-L105 PolarHBondContact O-N 3.13Å; V103-L105 PolarHBondContact O-N 3.45Å; V103-L105 VanDerWaalsContact O-N 3.15Å; L105-K108 PolarHBondContact O-N 3.01Å; L105-Y109 HydrophobicContact CB-CD2 4.47Å; L105-Y109 HydrophobicContact CD2-CD2 4.45Å; L105-Y109 HydrophobicContact CD2-CE2 4.23Å; L105-Y109 WeakPolarHBondContact O-CB 3.37Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 3.15Å; L105-V114 HydrophobicContact CB-CG2 4.03Å
106	R	98.8	Very high	98.6	Very high	83 Å²	83	57.9 Å²	57.9	31%	0.313	29%	0.291	S	S	.	.	H	α-helix	trans	-63.7	-41.6	176.7	-178.9	177.7	171.4	117.8	-11.3	112.7	A94 G104 K108 G110 V114	A94-R106 WeakPolarHBondContact O-CD 3.46Å; G104-R106 PolarHBondContact O-N 3.26Å; R106-K108 VanDerWaalsContact C-N 3.28Å; R106-K108 PolarHBondContact O-N 3.11Å; R106-G110 CarbonylContact O-C 3.48Å; R106-G110 VanDerWaalsContact O-CA 3.24Å; R106-G110 WeakPolarHBondContact O-CA 3.46Å; R106-G110 PolarHBondContact O-N 3.42Å; R106-V114 HydrophobicContact CB-CB 3.89Å; R106-V114 HydrophobicContact CB-CG1 4.06Å; R106-V114 HydrophobicContact CG-CB 4.44Å; R106-V114 PolarHBondContact NH1-O 2.94Å; R106-V114 VanDerWaalsContact NH1-O 3.11Å
107	D	98.8	Very high	98.7	Very high	151 Å²	151	59.2 Å²	59.2	81%	0.807	30%	0.299	S	S	*	.	H	α-helix	trans	-66.7	-35.5	179.1	-64.1	-28.7	0	0	0	111	G104	G104-D107 PolarHBondContact O-N 3.19Å
108	K	98.8	Very high	98.7	Very high	124 Å²	124	64.3 Å²	64.3	54%	0.539	33%	0.332	S	S	.	.	H	α-helix	trans	-76.8	-42	179.2	-171.6	174.7	-177.6	-170.5	0	113.6	D77 G104 L105 R106	D77-K108 IonicContact OD1-NZ 2.68Å; D77-K108 PolarHBondContact OD1-NZ 3.3Å; D77-K108 IonicContact OD2-NZ 2.81Å; D77-K108 PolarHBondContact OD2-NZ 3.46Å; G104-K108 WeakPolarHBondContact O-CB 3.3Å; G104-K108 PolarHBondContact O-N 3.32Å; G104-K108 VanDerWaalsContact O-N 3.09Å; L105-K108 PolarHBondContact O-N 3.01Å; R106-K108 VanDerWaalsContact C-N 3.28Å; R106-K108 PolarHBondContact O-N 3.11Å
109	Y	98.9	Very high	98.8	Very high	39 Å²	39	67.8 Å²	67.8	15%	0.153	35%	0.348	C	S	.	.	H	α-helix	trans	-110.6	-4.6	-169.6	-65.4	-69.4	0	0	0	114.9	D77 L80 A81 L105	D77-Y109 PolarHBondContact O-OH 3Å; D77-Y109 VanDerWaalsContact O-OH 3.09Å; D77-Y109 PolarHBondContact OD1-OH 2.71Å; L80-Y109 HydrophobicContact CB-CD1 3.81Å; L80-Y109 HydrophobicContact CB-CD2 3.67Å; L80-Y109 HydrophobicContact CB-CE1 3.8Å; L80-Y109 HydrophobicContact CB-CE2 3.62Å; L80-Y109 HydrophobicContact CB-CG 3.75Å; L80-Y109 HydrophobicContact CD1-CD2 3.35Å; L80-Y109 HydrophobicContact CD1-CE2 3.89Å; L80-Y109 HydrophobicContact CD1-CG 3.81Å; L80-Y109 HydrophobicContact CG-CD2 4.16Å; L80-Y109 HydrophobicContact CG-CE2 4.42Å; L80-Y109 HydrophobicContact CG-CG 4.37Å; A81-Y109 WeakPolarHBondContact CB-OH 3.43Å; L105-Y109 HydrophobicContact CB-CD2 4.47Å; L105-Y109 HydrophobicContact CD2-CD2 4.45Å; L105-Y109 HydrophobicContact CD2-CE2 4.23Å; L105-Y109 WeakPolarHBondContact O-CB 3.37Å; L105-Y109 WeakPolarHBondContact O-CD2 3.44Å; L105-Y109 PolarHBondContact O-N 3.15Å
110	G	98.7	Very high	98.8	Very high	30 Å²	30	67.9 Å²	67.9	31%	0.309	35%	0.354	S	S	.	.			trans	89.6	156.9	177.1	0	0	0	0	0	114.3	R106 D112 R113 V114	R106-G110 CarbonylContact O-C 3.48Å; R106-G110 VanDerWaalsContact O-CA 3.24Å; R106-G110 WeakPolarHBondContact O-CA 3.46Å; R106-G110 PolarHBondContact O-N 3.42Å; G110-D112 PolarHBondContact O-N 3.49Å; G110-R113 PolarHBondContact O-N 2.77Å; G110-V114 PolarHBondContact O-N 3.29Å
111	K	98.6	Very high	98.8	Very high	131 Å²	131	62.4 Å²	62.4	57%	0.57	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.1	-178.1	66	177.2	-176	175.9	0	114.4	R113 F115	K111-R113 VanDerWaalsContact C-N 3.33Å; K111-F115 WeakPolarHBondContact O-CB 3.43Å
112	D	98.6	Very high	98.8	Very high	126 Å²	126	67.7 Å²	67.7	67%	0.674	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-14.9	-178.7	-54.5	-41.8	0	0	0	111.6	G110	G110-D112 PolarHBondContact O-N 3.49Å
113	R	98.8	Very high	98.8	Very high	44 Å²	44	69.4 Å²	69.4	17%	0.166	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-22.8	178.4	-60.6	-168.5	66.3	-167.1	-0.3	113.9	L80 D83 A86 V87 I88 G110 K111	L80-R113 PolarHBondContact O-NH1 2.62Å; L80-R113 PolarHBondContact O-NH2 2.84Å; D83-R113 PolarHBondContact O-NH2 3.45Å; A86-R113 VanDerWaalsContact O-CZ 3.27Å; A86-R113 PolarHBondContact O-NE 2.94Å; A86-R113 PolarHBondContact O-NH2 3.17Å; V87-R113 CarbonylContact C-O 3.54Å; V87-R113 WeakPolarHBondContact CA-O 3.23Å; I88-R113 PolarHBondContact N-O 3.4Å; G110-R113 PolarHBondContact O-N 2.77Å; K111-R113 VanDerWaalsContact C-N 3.33Å
114	V	98.9	Very high	98.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	102.9	175.3	-171.9	0	0	0	0	109.8	L80 I88 L105 R106 G110	L80-V114 HydrophobicContact CD1-CG2 3.91Å; I88-V114 HydrophobicContact CB-CG1 4.45Å; I88-V114 HydrophobicContact CB-CG2 4.4Å; I88-V114 WeakPolarHBondContact O-CA 3.32Å; L105-V114 HydrophobicContact CB-CG2 4.03Å; R106-V114 HydrophobicContact CB-CB 3.89Å; R106-V114 HydrophobicContact CB-CG1 4.06Å; R106-V114 HydrophobicContact CG-CB 4.44Å; R106-V114 PolarHBondContact NH1-O 2.94Å; R106-V114 VanDerWaalsContact NH1-O 3.11Å; G110-V114 PolarHBondContact O-N 3.29Å
115	F	98.9	Very high	98.8	Very high	47 Å²	47	64.3 Å²	64.3	21%	0.206	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	149.9	-169.7	55.2	-90.1	0	0	0	114.4	V87 I88 F89 V93 K111 F127	V87-F115 HydrophobicContact CB-CE1 4.11Å; V87-F115 HydrophobicContact CG1-CE1 4.44Å; I88-F115 PolarHBondContact O-N 3.14Å; I88-F115 VanDerWaalsContact O-N 3.13Å; F89-F115 VanDerWaalsContact CA-O 3.31Å; F89-F115 WeakPolarHBondContact CA-O 3.42Å; F89-F115 HydrophobicContact CB-CD2 3.75Å; F89-F115 HydrophobicContact CB-CE1 4.24Å; F89-F115 HydrophobicContact CB-CE2 3.36Å; F89-F115 HydrophobicContact CB-CG 4.34Å; F89-F115 HydrophobicContact CB-CZ 3.64Å; F89-F115 HydrophobicContact CD1-CE2 4.44Å; F89-F115 AromaticContact CD1-CZ 3.99Å; F89-F115 HydrophobicContact CD1-CZ 3.99Å; F89-F115 HydrophobicContact CG-CE2 4.01Å; F89-F115 HydrophobicContact CG-CZ 4.03Å; V93-F115 WeakPolarHBondContact CG2-O 3.25Å; K111-F115 WeakPolarHBondContact O-CB 3.43Å; F115-F127 AromaticContact CE2-CE1 3.93Å; F115-F127 HydrophobicContact CE2-CE1 3.93Å; F115-F127 HydrophobicContact CE2-CZ 4.1Å; F115-F127 AromaticContact CZ-CE1 3.77Å; F115-F127 HydrophobicContact CZ-CE1 3.77Å; F115-F127 AromaticContact CZ-CZ 3.92Å; F115-F127 HydrophobicContact CZ-CZ 3.92Å
116	N	98.9	Very high	98.8	Very high	72 Å²	72	65.2 Å²	65.2	39%	0.385	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	143.2	173.3	-70.8	-5.8	0	0	0	110.8	G90 D92 V93 A94	G90-N116 VanDerWaalsContact O-CA 3.29Å; G90-N116 WeakPolarHBondContact O-CA 3.39Å; D92-N116 VanDerWaalsContact C-OD1 3.25Å; D92-N116 VanDerWaalsContact CA-OD1 3.28Å; D92-N116 WeakPolarHBondContact CA-OD1 3.48Å; D92-N116 PolarHBondContact N-OD1 2.95Å; V93-N116 PolarHBondContact N-OD1 2.81Å; A94-N116 WeakPolarHBondContact CB-OD1 3.48Å; A94-N116 PolarHBondContact N-OD1 3.24Å
117	T	98.9	Very high	98.8	Very high	28 Å²	28	66.2 Å²	66.2	17%	0.172	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-95.3	166.1	165.3	58	0	0	0	0	110.6	F89 G90 I124	F89-T117 HydrophobicContact CB-CG2 4.05Å; F89-T117 HydrophobicContact CD2-CG2 4.04Å; F89-T117 HydrophobicContact CG-CG2 4.49Å; G90-T117 WeakPolarHBondContact CA-OG1 3.42Å; G90-T117 PolarHBondContact O-N 3.49Å; G90-T117 PolarHBondContact O-OG1 2.82Å; T117-I124 HydrophobicContact CG2-CG1 4.1Å; T117-I124 WeakPolarHBondContact OG1-CD1 3.3Å; T117-I124 VanDerWaalsContact OG1-CG1 3.29Å; T117-I124 WeakPolarHBondContact OG1-CG1 3.39Å
118	P	98.8	Very high	98.8	Very high	107 Å²	107	59 Å²	59	70%	0.695	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-56.2	157.7	156.1	-21.8	34.5	0	0	0	111.2	C120	P118-C120 PolarHBondContact O-N 3.16Å
119	L	98.6	Very high	98.8	Very high	138 Å²	138	53.4 Å²	53.4	72%	0.723	29%	0.292	S	S	*	.	S	Bend	trans	-76.8	86.3	-179.9	-159.7	172.3	0	0	0	109.8	E91	E91-L119 HydrophobicContact CG-CB 4.45Å; E91-L119 HydrophobicContact CG-CG 4.28Å; E91-L119 VanDerWaalsContact OE1-CA 3.25Å; E91-L119 WeakPolarHBondContact OE1-CA 3.47Å
120	C	98.7	Very high	98.8	Very high	49 Å²	49	53.4 Å²	53.4	33%	0.331	31%	0.305	S	S	.	.			trans	-167.8	96.8	-172.8	-174.6	0	0	0	0	111.4	E91 P118 Q122 G123 I124	E91-C120 PolarHBondContact OE1-N 3Å; E91-C120 VanDerWaalsContact OE1-N 3.14Å; P118-C120 PolarHBondContact O-N 3.16Å; C120-Q122 PolarHBondContact O-N 2.89Å; C120-Q122 WeakPolarHBondContact SG-CG 3.39Å; C120-G123 WeakPolarHBondContact O-CA 3.38Å; C120-G123 PolarHBondContact O-N 2.94Å; C120-I124 WeakPolarHBondContact O-CG1 3.22Å; C120-I124 PolarHBondContact O-N 2.75Å
121	E	98.9	Very high	98.8	Very high	26 Å²	26	52.9 Å²	52.9	12%	0.121	30%	0.297	C	S	.	.	H	α-helix	trans	-65.9	-38.1	-171.2	-61.2	88.3	168.3	0	0	113.2	G123 I124 V125 I142 Y147 P150 A151	E121-G123 PolarHBondContact O-N 2.93Å; E121-I124 WeakPolarHBondContact O-CB 3.47Å; E121-I124 PolarHBondContact O-N 3.47Å; E121-V125 PolarHBondContact O-N 2.78Å; E121-I142 HydrophobicContact CB-CD1 3.73Å; E121-I142 HydrophobicContact CG-CD1 3.88Å; E121-I142 HydrophobicContact CG-CG2 4.45Å; E121-Y147 VanDerWaalsContact CG-O 3.32Å; E121-Y147 WeakPolarHBondContact CG-O 3.29Å; E121-P150 HydrophobicContact CB-CB 4.27Å; E121-A151 HydrophobicContact CB-CB 4.36Å
122	Q	98.8	Very high	98.8	Very high	114 Å²	114	46.9 Å²	46.9	53%	0.533	27%	0.272	S	S	.	.	H	α-helix	trans	-60.1	-36	172	61.5	179.1	92.5	0	0	112.2	C120 G126 P150	C120-Q122 PolarHBondContact O-N 2.89Å; C120-Q122 WeakPolarHBondContact SG-CG 3.39Å; Q122-G126 PolarHBondContact O-N 2.76Å; Q122-P150 WeakPolarHBondContact CB-O 3.46Å
123	G	98.9	Very high	98.8	Very high	37 Å²	37	42.5 Å²	42.5	38%	0.381	25%	0.254	S	S	.	.	H	α-helix	trans	-71.4	-41.1	176.6	0	0	0	0	0	111.5	C120 E121 F127	C120-G123 WeakPolarHBondContact O-CA 3.38Å; C120-G123 PolarHBondContact O-N 2.94Å; E121-G123 PolarHBondContact O-N 2.93Å; G123-F127 WeakPolarHBondContact O-CB 3.3Å; G123-F127 PolarHBondContact O-N 3.29Å
124	I	98.9	Very high	98.8	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-56.8	-53.5	175.8	-67.9	169.4	0	0	0	110.3	F89 E91 T117 C120 E121 F127 G128 A140 I142	F89-I124 HydrophobicContact CD2-CG2 4.18Å; F89-I124 HydrophobicContact CE2-CG2 4.05Å; F89-I124 WeakPolarHBondContact CE2-O 3.5Å; E91-I124 HydrophobicContact CG-CD1 4.06Å; T117-I124 HydrophobicContact CG2-CG1 4.1Å; T117-I124 WeakPolarHBondContact OG1-CD1 3.3Å; T117-I124 VanDerWaalsContact OG1-CG1 3.29Å; T117-I124 WeakPolarHBondContact OG1-CG1 3.39Å; C120-I124 WeakPolarHBondContact O-CG1 3.22Å; C120-I124 PolarHBondContact O-N 2.75Å; E121-I124 WeakPolarHBondContact O-CB 3.47Å; E121-I124 PolarHBondContact O-N 3.47Å; I124-F127 PolarHBondContact O-N 3.47Å; I124-G128 PolarHBondContact O-N 3.41Å; I124-A140 HydrophobicContact CG2-CB 3.93Å; I124-I142 HydrophobicContact CB-CD1 4.27Å; I124-I142 HydrophobicContact CD1-CD1 4.34Å; I124-I142 HydrophobicContact CG2-CD1 4.04Å
125	V	98.9	Very high	98.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-69.5	-44.4	-177.7	177.5	0	0	0	0	111.7	E121 F127 G128 I129 I142 A151 Q154 I155 I177	E121-V125 PolarHBondContact O-N 2.78Å; V125-F127 VanDerWaalsContact C-N 3.29Å; V125-F127 PolarHBondContact O-N 3.4Å; V125-G128 PolarHBondContact O-N 3.1Å; V125-G128 VanDerWaalsContact O-N 3.08Å; V125-I129 HydrophobicContact CG1-CD1 4.01Å; V125-I129 HydrophobicContact CG1-CG1 4.35Å; V125-I129 WeakPolarHBondContact O-CG1 3.42Å; V125-I129 PolarHBondContact O-N 3.29Å; V125-I142 HydrophobicContact CG2-CD1 4.22Å; V125-A151 HydrophobicContact CB-CB 3.92Å; V125-A151 HydrophobicContact CG2-CB 3.49Å; V125-A151 VanDerWaalsContact CG2-CB 3.49Å; V125-Q154 HydrophobicContact CB-CB 4.13Å; V125-Q154 HydrophobicContact CG1-CB 3.77Å; V125-I155 HydrophobicContact CG1-CG1 3.91Å; V125-I155 HydrophobicContact CG2-CG1 4.44Å; V125-I177 HydrophobicContact CB-CD1 4.43Å; V125-I177 HydrophobicContact CG1-CD1 3.7Å; V125-I177 HydrophobicContact CG2-CD1 3.87Å; V125-I177 HydrophobicContact CG2-CG1 4.4Å
126	G	98.9	Very high	98.7	Very high	22 Å²	22	45.8 Å²	45.8	23%	0.227	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-39.4	177.2	0	0	0	0	0	112.9	Q122 I129 G130	Q122-G126 PolarHBondContact O-N 2.76Å; G126-I129 PolarHBondContact O-N 3.3Å; G126-G130 PolarHBondContact O-N 3.25Å; G126-G130 VanDerWaalsContact O-N 3.15Å
127	F	98.9	Very high	98.7	Very high	103 Å²	103	42.8 Å²	42.8	45%	0.452	29%	0.287	S	S	.	.	H	α-helix	trans	-62.6	-45.2	172.5	175	-94.1	0	0	0	111.6	F89 F115 G123 I124 V125 I129 G130 A131	F89-F127 HydrophobicContact CD1-CD1 4.36Å; F89-F127 AromaticContact CD1-CE1 3.99Å; F89-F127 HydrophobicContact CD1-CE1 3.99Å; F89-F127 AromaticContact CD2-CD1 3.84Å; F89-F127 HydrophobicContact CD2-CD1 3.84Å; F89-F127 HydrophobicContact CD2-CE1 4.18Å; F89-F127 HydrophobicContact CE1-CD1 4.23Å; F89-F127 HydrophobicContact CE1-CE1 4.09Å; F89-F127 AromaticContact CE2-CD1 3.69Å; F89-F127 HydrophobicContact CE2-CD1 3.69Å; F89-F127 HydrophobicContact CE2-CE1 4.28Å; F89-F127 HydrophobicContact CG-CD1 4.2Å; F89-F127 HydrophobicContact CG-CE1 4.05Å; F89-F127 AromaticContact CZ-CD1 3.92Å; F89-F127 HydrophobicContact CZ-CD1 3.92Å; F89-F127 HydrophobicContact CZ-CE1 4.26Å; F115-F127 AromaticContact CE2-CE1 3.93Å; F115-F127 HydrophobicContact CE2-CE1 3.93Å; F115-F127 HydrophobicContact CE2-CZ 4.1Å; F115-F127 AromaticContact CZ-CE1 3.77Å; F115-F127 HydrophobicContact CZ-CE1 3.77Å; F115-F127 AromaticContact CZ-CZ 3.92Å; F115-F127 HydrophobicContact CZ-CZ 3.92Å; G123-F127 WeakPolarHBondContact O-CB 3.3Å; G123-F127 PolarHBondContact O-N 3.29Å; I124-F127 PolarHBondContact O-N 3.47Å; V125-F127 VanDerWaalsContact C-N 3.29Å; V125-F127 PolarHBondContact O-N 3.4Å; F127-I129 PolarHBondContact O-N 3.16Å; F127-G130 PolarHBondContact O-N 3.13Å; F127-A131 PolarHBondContact O-N 3.02Å
128	G	98.9	Very high	98.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-41.6	176.8	0	0	0	0	0	113.7	F89 I124 V125 G130 A131 A132 A138	F89-G128 VanDerWaalsContact CZ-CA 3.42Å; I124-G128 PolarHBondContact O-N 3.41Å; V125-G128 PolarHBondContact O-N 3.1Å; V125-G128 VanDerWaalsContact O-N 3.08Å; G128-G130 VanDerWaalsContact C-N 3.33Å; G128-G130 PolarHBondContact O-N 3.15Å; G128-A131 PolarHBondContact O-N 2.86Å; G128-A132 WeakPolarHBondContact O-CB 3.36Å; G128-A132 PolarHBondContact O-N 3.32Å; G128-A138 WeakPolarHBondContact O-CB 3.23Å
129	I	98.9	Very high	98.7	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-46.8	173.7	-67.7	165.8	0	0	0	110.4	V125 G126 F127 A132 A133 Q154 E158 A159 Y162 C172 L175	V125-I129 HydrophobicContact CG1-CD1 4.01Å; V125-I129 HydrophobicContact CG1-CG1 4.35Å; V125-I129 WeakPolarHBondContact O-CG1 3.42Å; V125-I129 PolarHBondContact O-N 3.29Å; G126-I129 PolarHBondContact O-N 3.3Å; F127-I129 PolarHBondContact O-N 3.16Å; I129-A132 PolarHBondContact O-N 3.41Å; I129-A133 WeakPolarHBondContact O-CB 3.35Å; I129-A133 PolarHBondContact O-N 2.99Å; I129-Q154 HydrophobicContact CD1-CB 4.13Å; I129-Q154 WeakPolarHBondContact CD1-O 3.26Å; I129-E158 HydrophobicContact CD1-CB 3.88Å; I129-A159 HydrophobicContact CD1-CB 3.83Å; I129-A159 HydrophobicContact CG1-CB 4Å; I129-Y162 HydrophobicContact CG2-CD2 3.64Å; I129-Y162 HydrophobicContact CG2-CE2 3.39Å; I129-C172 HydrophobicContact CG2-CB 4.12Å; I129-L175 HydrophobicContact CG1-CD2 3.61Å
130	G	98.9	Very high	98.7	Very high	40 Å²	40	29.9 Å²	29.9	41%	0.412	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-42.8	178.3	0	0	0	0	0	113.1	G126 F127 G128 A133 A134	G126-G130 PolarHBondContact O-N 3.25Å; G126-G130 VanDerWaalsContact O-N 3.15Å; F127-G130 PolarHBondContact O-N 3.13Å; G128-G130 VanDerWaalsContact C-N 3.33Å; G128-G130 PolarHBondContact O-N 3.15Å; G130-A133 PolarHBondContact O-N 3.39Å; G130-A134 WeakPolarHBondContact O-CB 3.47Å; G130-A134 PolarHBondContact O-N 2.68Å
131	A	98.8	Very high	98.7	Very high	19 Å²	19	27.8 Å²	27.8	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-63.3	-44.9	176.2	0	0	0	0	0	111.9	F127 G128 A134 G135 A136 A138	F127-A131 PolarHBondContact O-N 3.02Å; G128-A131 PolarHBondContact O-N 2.86Å; A131-A134 PolarHBondContact O-N 3.18Å; A131-G135 PolarHBondContact O-N 2.78Å; A131-A136 PolarHBondContact O-N 2.92Å; A131-A136 VanDerWaalsContact O-N 3.09Å; A131-A138 HydrophobicContact CB-CB 4.06Å
132	A	98.8	Very high	98.7	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.033	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-43	176.3	0	0	0	0	0	112.3	G128 I129 A134 G135 A136 A138 C172 L175	G128-A132 WeakPolarHBondContact O-CB 3.36Å; G128-A132 PolarHBondContact O-N 3.32Å; I129-A132 PolarHBondContact O-N 3.41Å; A132-A134 PolarHBondContact O-N 2.79Å; A132-G135 WeakPolarHBondContact O-CA 3.4Å; A132-G135 PolarHBondContact O-N 2.86Å; A132-A136 VanDerWaalsContact CA-O 3.31Å; A132-A136 WeakPolarHBondContact CA-O 3.26Å; A132-A138 HydrophobicContact CB-CB 4.27Å; A132-C172 HydrophobicContact CB-CB 3.91Å; A132-L175 HydrophobicContact CB-CB 3.97Å
133	A	98.4	Very high	98.7	Very high	35 Å²	35	22.7 Å²	22.7	29%	0.289	17%	0.173	S	C	.	.	H	α-helix	trans	-65.5	-24.4	176	0	0	0	0	0	113.6	I129 G130 G135 Y162 D171	I129-A133 WeakPolarHBondContact O-CB 3.35Å; I129-A133 PolarHBondContact O-N 2.99Å; G130-A133 PolarHBondContact O-N 3.39Å; A133-G135 VanDerWaalsContact C-N 3.26Å; A133-Y162 HydrophobicContact CB-CE1 4.1Å; A133-D171 VanDerWaalsContact CA-O 3.23Å; A133-D171 WeakPolarHBondContact CA-O 3.5Å
134	A	98.4	Very high	98.7	Very high	91 Å²	91	21.9 Å²	21.9	75%	0.752	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.6	171.6	0	0	0	0	0	113.5	G130 A131 A132	G130-A134 WeakPolarHBondContact O-CB 3.47Å; G130-A134 PolarHBondContact O-N 2.68Å; A131-A134 PolarHBondContact O-N 3.18Å; A132-A134 PolarHBondContact O-N 2.79Å
135	G	96.3	Very high	98.7	Very high	44 Å²	44	21.8 Å²	21.8	45%	0.454	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	6.9	175.9	0	0	0	0	0	115.4	A131 A132 A133	A131-G135 PolarHBondContact O-N 2.78Å; A132-G135 WeakPolarHBondContact O-CA 3.4Å; A132-G135 PolarHBondContact O-N 2.86Å; A133-G135 VanDerWaalsContact C-N 3.26Å
136	A	98.4	Very high	98.7	Very high	24 Å²	24	22.1 Å²	22.1	20%	0.198	16%	0.161	C	C	.	.			trans	-88.2	146.6	175.5	0	0	0	0	0	111.9	A131 A132 A138	A131-A136 PolarHBondContact O-N 2.92Å; A131-A136 VanDerWaalsContact O-N 3.09Å; A132-A136 VanDerWaalsContact CA-O 3.31Å; A132-A136 WeakPolarHBondContact CA-O 3.26Å; A136-A138 PolarHBondContact O-N 3.46Å
137	T	98.9	Very high	98.7	Very high	10 Å²	10	24.2 Å²	24.2	6%	0.061	16%	0.162	C	C	.	.			trans	-74.2	111	167.2	-61.5	0	0	0	0	110.4	D83 T85 A86 V87 I139 I224	D83-T137 WeakPolarHBondContact OD2-CB 3.43Å; D83-T137 PolarHBondContact OD2-OG1 3Å; T85-T137 PolarHBondContact OG1-N 3.5Å; A86-T137 CarbonylContact C-O 3.57Å; A86-T137 VanDerWaalsContact CA-O 3.26Å; A86-T137 WeakPolarHBondContact CA-O 3.15Å; A86-T137 HydrophobicContact CB-CG2 4.08Å; V87-T137 PolarHBondContact N-O 3.08Å; T137-I139 HydrophobicContact CG2-CD1 4.44Å; T137-I139 HydrophobicContact CG2-CG1 4.21Å; T137-I224 HydrophobicContact CG2-CG2 3.83Å
138	A	98.9	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.4	-173.9	0	0	0	0	0	110.6	F89 G128 A131 A132 A136 N174 L175 T176	F89-A138 HydrophobicContact CE1-CB 3.97Å; F89-A138 HydrophobicContact CZ-CB 4.14Å; G128-A138 WeakPolarHBondContact O-CB 3.23Å; A131-A138 HydrophobicContact CB-CB 4.06Å; A132-A138 HydrophobicContact CB-CB 4.27Å; A136-A138 PolarHBondContact O-N 3.46Å; A138-N174 PolarHBondContact N-O 3.19Å; A138-L175 HydrophobicContact CB-CD1 4.02Å; A138-L175 WeakPolarHBondContact O-CA 3.21Å; A138-T176 PolarHBondContact O-N 2.99Å
139	I	98.9	Very high	98.7	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	93.5	-179.1	-51.1	166.9	0	0	0	108.8	L76 T79 V87 I88 F89 T137 T176 R178 I224	L76-I139 HydrophobicContact CD2-CD1 4.11Å; L76-I139 HydrophobicContact CD2-CG2 3.84Å; T79-I139 HydrophobicContact CG2-CD1 3.94Å; V87-I139 WeakPolarHBondContact O-CB 3.03Å; V87-I139 PolarHBondContact O-N 2.86Å; I88-I139 WeakPolarHBondContact CA-O 3.41Å; I88-I139 HydrophobicContact CG1-CB 4.1Å; I88-I139 HydrophobicContact CG1-CD1 4.08Å; I88-I139 HydrophobicContact CG1-CG2 4.45Å; F89-I139 PolarHBondContact N-O 3.2Å; F89-I139 VanDerWaalsContact N-O 3.14Å; T137-I139 HydrophobicContact CG2-CD1 4.44Å; T137-I139 HydrophobicContact CG2-CG1 4.21Å; I139-T176 CarbonylContact C-O 3.53Å; I139-T176 WeakPolarHBondContact CA-O 3.44Å; I139-R178 HydrophobicContact CG2-CG 4.17Å; I139-I224 HydrophobicContact CD1-CD1 3.91Å; I139-I224 HydrophobicContact CD1-CG1 4.3Å; I139-I224 HydrophobicContact CG1-CD1 4.47Å; I139-I224 HydrophobicContact CG1-CG1 4.39Å
140	A	98.9	Very high	98.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.4	-179	0	0	0	0	0	111.2	F89 I124 T176 I177 R178	F89-A140 HydrophobicContact CD2-CB 4.39Å; F89-A140 HydrophobicContact CE2-CB 3.59Å; F89-A140 HydrophobicContact CZ-CB 3.82Å; F89-A140 CarbonylContact O-C 3.59Å; F89-A140 WeakPolarHBondContact O-CA 3.4Å; I124-A140 HydrophobicContact CG2-CB 3.93Å; A140-T176 PolarHBondContact N-O 3.22Å; A140-I177 HydrophobicContact CB-CG1 4.25Å; A140-I177 WeakPolarHBondContact O-CA 3.45Å; A140-R178 VanDerWaalsContact O-CG 3.26Å; A140-R178 WeakPolarHBondContact O-CG 3.49Å; A140-R178 PolarHBondContact O-N 2.94Å
141	E	98.9	Very high	98.7	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.023	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.7	166.2	-172.8	172.7	114.6	0	0	110.1	F89 V93 R178	F89-E141 PolarHBondContact O-N 3.17Å; V93-E141 HydrophobicContact CG1-CB 3.77Å; V93-E141 HydrophobicContact CG1-CG 4.31Å; E141-R178 WeakPolarHBondContact CA-O 3.44Å; E141-R178 IonicContact OE2-CZ 3.73Å; E141-R178 IonicContact OE2-NH1 3.04Å; E141-R178 PolarHBondContact OE2-NH1 3.28Å; E141-R178 IonicContact OE2-NH2 3.31Å; E141-R178 PolarHBondContact OE2-NH2 3.46Å
142	I	98.9	Very high	98.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-98.9	125.8	160.9	-64.6	-58.2	0	0	0	107.2	E121 I124 V125 F144 I148 I177 R178 A179 P180	E121-I142 HydrophobicContact CB-CD1 3.73Å; E121-I142 HydrophobicContact CG-CD1 3.88Å; E121-I142 HydrophobicContact CG-CG2 4.45Å; I124-I142 HydrophobicContact CB-CD1 4.27Å; I124-I142 HydrophobicContact CD1-CD1 4.34Å; I124-I142 HydrophobicContact CG2-CD1 4.04Å; V125-I142 HydrophobicContact CG2-CD1 4.22Å; I142-F144 VanDerWaalsContact C-N 3.27Å; I142-F144 VanDerWaalsContact CG2-O 3.28Å; I142-F144 WeakPolarHBondContact CG2-O 3.4Å; I142-F144 PolarHBondContact O-N 3.02Å; I142-I148 HydrophobicContact CG1-CG1 4.34Å; I142-I148 HydrophobicContact CG2-CB 4.14Å; I142-I148 HydrophobicContact CG2-CG1 4.43Å; I142-I177 HydrophobicContact CG1-CG2 3.86Å; I142-R178 PolarHBondContact N-O 3.16Å; I142-A179 HydrophobicContact CB-CB 4.13Å; I142-A179 WeakPolarHBondContact O-CA 3.15Å; I142-P180 VanDerWaalsContact O-CD 3.26Å; I142-P180 WeakPolarHBondContact O-CD 3.35Å
143	Q	98.7	Very high	98.7	Very high	33 Å²	33	29.6 Å²	29.6	15%	0.154	18%	0.181	C	C	.	.	S	Bend	trans	-64.1	-30.3	-163.1	-163.2	175	99.1	0	0	113.6	D92 V98 P180	D92-Q143 PolarHBondContact OD2-NE2 3.01Å; V98-Q143 HydrophobicContact CG2-CG 3.71Å; Q143-P180 VanDerWaalsContact O-CD 3.3Å; Q143-P180 WeakPolarHBondContact O-CD 3.42Å; Q143-P180 WeakPolarHBondContact O-CG 3.33Å
144	F	98.8	Very high	98.7	Very high	20 Å²	20	30.4 Å²	30.4	9%	0.088	18%	0.178	C	C	.	.			trans	-144.4	144.2	167.1	-73.5	-97.9	0	0	0	109.1	F99 I142 D146 Y147 P180 H191 K236	F99-F144 HydrophobicContact CE2-CD1 4.39Å; F99-F144 AromaticContact CE2-CE1 3.67Å; F99-F144 HydrophobicContact CE2-CE1 3.67Å; F99-F144 HydrophobicContact CE2-CE2 4.01Å; F99-F144 AromaticContact CE2-CZ 3.45Å; F99-F144 HydrophobicContact CE2-CZ 3.45Å; F99-F144 VanDerWaalsContact CE2-CZ 3.45Å; F99-F144 HydrophobicContact CZ-CD1 4.49Å; F99-F144 AromaticContact CZ-CE1 3.47Å; F99-F144 HydrophobicContact CZ-CE1 3.47Å; F99-F144 VanDerWaalsContact CZ-CE1 3.47Å; F99-F144 HydrophobicContact CZ-CE2 4.37Å; F99-F144 AromaticContact CZ-CZ 3.39Å; F99-F144 HydrophobicContact CZ-CZ 3.39Å; I142-F144 VanDerWaalsContact C-N 3.27Å; I142-F144 VanDerWaalsContact CG2-O 3.28Å; I142-F144 WeakPolarHBondContact CG2-O 3.4Å; I142-F144 PolarHBondContact O-N 3.02Å; F144-D146 HydrophobicContact CB-CB 4.24Å; F144-D146 PolarHBondContact O-N 3.35Å; F144-D146 VanDerWaalsContact O-N 3.08Å; F144-Y147 HydrophobicContact CB-CD2 3.69Å; F144-Y147 HydrophobicContact CB-CE2 3.86Å; F144-Y147 HydrophobicContact CB-CG 4.27Å; F144-Y147 AromaticContact CD2-CD2 3.95Å; F144-Y147 HydrophobicContact CD2-CD2 3.95Å; F144-Y147 AromaticContact CD2-CE2 3.52Å; F144-Y147 HydrophobicContact CD2-CE2 3.52Å; F144-Y147 HydrophobicContact CE2-CE2 4.43Å; F144-Y147 HydrophobicContact CG-CD2 4.25Å; F144-Y147 AromaticContact CG-CE2 3.98Å; F144-Y147 HydrophobicContact CG-CE2 3.98Å; F144-Y147 WeakPolarHBondContact O-CA 3.39Å; F144-Y147 PolarHBondContact O-N 3.15Å; F144-P180 HydrophobicContact CD1-CB 4.5Å; F144-H191 HydrophobicContact CD1-CB 4.1Å; F144-H191 AromaticContact CD1-CD2 3.61Å; F144-H191 AromaticContact CD2-CD2 3.9Å; F144-H191 HydrophobicContact CE1-CB 3.97Å; F144-H191 AromaticContact CE1-CD2 3.4Å; F144-H191 VanDerWaalsContact CE1-CD2 3.4Å; F144-H191 WeakPolarHBondContact CE1-CD2 3.49Å; F144-H191 AromaticContact CE2-CD2 3.71Å; F144-H191 AromaticContact CG-CD2 3.86Å; F144-H191 AromaticContact CZ-CD2 3.46Å; F144-H191 VanDerWaalsContact CZ-CD2 3.46Å; F144-H191 WeakPolarHBondContact CZ-CD2 3.48Å; F144-K236 HydrophobicContact CD1-CD 4.3Å; F144-K236 HydrophobicContact CE1-CD 4.09Å
145	A	98.8	Very high	98.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-56.8	-27.4	175	0	0	0	0	0	112	Y147 I148 A179 P180 W181 P195 F233	A145-Y147 PolarHBondContact O-N 2.92Å; A145-I148 WeakPolarHBondContact O-CB 3.5Å; A145-I148 WeakPolarHBondContact O-CG2 3.32Å; A145-I148 PolarHBondContact O-N 3.19Å; A145-A179 HydrophobicContact CB-CB 4.2Å; A145-P180 VanDerWaalsContact CB-O 3.25Å; A145-P180 WeakPolarHBondContact CB-O 3.29Å; A145-P180 PolarHBondContact N-O 3.12Å; A145-W181 HydrophobicContact CB-CB 4.33Å; A145-P195 HydrophobicContact CB-CG 3.91Å; A145-F233 HydrophobicContact CB-CD1 3.9Å; A145-F233 HydrophobicContact CB-CE1 3.73Å
146	D	98.8	Very high	98.9	Very high	7 Å²	7	25 Å²	25	4%	0.037	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-58.1	-27.2	171.7	-52.2	-108.9	0	0	0	113.5	F144 F149 Y190 H191 S192 Q193 K236	F144-D146 HydrophobicContact CB-CB 4.24Å; F144-D146 PolarHBondContact O-N 3.35Å; F144-D146 VanDerWaalsContact O-N 3.08Å; D146-F149 WeakPolarHBondContact O-CD2 3.42Å; D146-Y190 WeakPolarHBondContact CB-O 3.37Å; D146-Y190 VanDerWaalsContact OD1-CA 3.3Å; D146-Y190 WeakPolarHBondContact OD1-CA 3.37Å; D146-H191 PolarHBondContact OD1-N 3.26Å; D146-H191 WeakPolarHBondContact OD2-CA 3.38Å; D146-S192 PolarHBondContact OD1-N 3.08Å; D146-Q193 HydrophobicContact CB-CB 4.46Å; D146-Q193 VanDerWaalsContact OD1-CB 3.24Å; D146-Q193 WeakPolarHBondContact OD1-CB 3.49Å; D146-Q193 WeakPolarHBondContact OD1-CG 3.44Å; D146-Q193 PolarHBondContact OD1-N 3.37Å; D146-Q193 PolarHBondContact OD1-NE2 2.8Å; D146-K236 IonicContact OD2-NZ 3.55Å
147	Y	98.8	Very high	98.9	Very high	66 Å²	66	27.3 Å²	27.3	26%	0.259	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-100.9	10.3	-178.6	-52	-35.3	0	0	0	113	E121 F144 A145 F149 P150 Y190 H191	E121-Y147 VanDerWaalsContact CG-O 3.32Å; E121-Y147 WeakPolarHBondContact CG-O 3.29Å; F144-Y147 HydrophobicContact CB-CD2 3.69Å; F144-Y147 HydrophobicContact CB-CE2 3.86Å; F144-Y147 HydrophobicContact CB-CG 4.27Å; F144-Y147 AromaticContact CD2-CD2 3.95Å; F144-Y147 HydrophobicContact CD2-CD2 3.95Å; F144-Y147 AromaticContact CD2-CE2 3.52Å; F144-Y147 HydrophobicContact CD2-CE2 3.52Å; F144-Y147 HydrophobicContact CE2-CE2 4.43Å; F144-Y147 HydrophobicContact CG-CD2 4.25Å; F144-Y147 AromaticContact CG-CE2 3.98Å; F144-Y147 HydrophobicContact CG-CE2 3.98Å; F144-Y147 WeakPolarHBondContact O-CA 3.39Å; F144-Y147 PolarHBondContact O-N 3.15Å; A145-Y147 PolarHBondContact O-N 2.92Å; Y147-F149 VanDerWaalsContact C-N 3.3Å; Y147-F149 PolarHBondContact O-N 2.98Å; Y147-P150 WeakPolarHBondContact O-CD 3.38Å; Y147-Y190 PolarHBondContact OH-O 2.83Å; Y147-H191 AromaticContact CZ-NE2 3.98Å; Y147-H191 PolarHBondContact OH-CE1 3Å; Y147-H191 PolarHBondContact OH-NE2 3.07Å
148	I	98.9	Very high	98.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.146	C	C	.	.			trans	-75.8	-20.3	179.3	-157.6	164.8	0	0	0	113	I142 A145 P150 A151 F152 I155 I177 P195 F199 F233	I142-I148 HydrophobicContact CG1-CG1 4.34Å; I142-I148 HydrophobicContact CG2-CB 4.14Å; I142-I148 HydrophobicContact CG2-CG1 4.43Å; A145-I148 WeakPolarHBondContact O-CB 3.5Å; A145-I148 WeakPolarHBondContact O-CG2 3.32Å; A145-I148 PolarHBondContact O-N 3.19Å; I148-P150 VanDerWaalsContact C-CD 3.48Å; I148-A151 CarbonylContact O-C 3.59Å; I148-A151 WeakPolarHBondContact O-CA 3.44Å; I148-A151 WeakPolarHBondContact O-CB 3.42Å; I148-A151 PolarHBondContact O-N 3.12Å; I148-F152 PolarHBondContact O-N 3.21Å; I148-I155 HydrophobicContact CD1-CD1 3.84Å; I148-I155 HydrophobicContact CG1-CD1 3.66Å; I148-I177 HydrophobicContact CD1-CG2 4.47Å; I148-P195 HydrophobicContact CG2-CG 4.47Å; I148-F199 HydrophobicContact CD1-CE2 4.12Å; I148-F199 HydrophobicContact CD1-CZ 3.93Å; I148-F199 HydrophobicContact CG1-CZ 4.07Å; I148-F199 HydrophobicContact CG2-CE2 3.76Å; I148-F199 HydrophobicContact CG2-CZ 3.7Å; I148-F233 HydrophobicContact CD1-CE1 4.15Å; I148-F233 HydrophobicContact CD1-CZ 4.28Å
149	F	98.9	Very high	98.9	Very high	67 Å²	67	29.6 Å²	29.6	29%	0.294	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-65.2	-32.8	-171.6	-59.2	-67.3	0	0	0	116.1	D146 Y147 A151 F152 Q193 P195 F198	D146-F149 WeakPolarHBondContact O-CD2 3.42Å; Y147-F149 VanDerWaalsContact C-N 3.3Å; Y147-F149 PolarHBondContact O-N 2.98Å; F149-A151 PolarHBondContact O-N 2.83Å; F149-F152 HydrophobicContact CD1-CD2 4.46Å; F149-F152 WeakPolarHBondContact O-CB 3.46Å; F149-F152 PolarHBondContact O-N 3.38Å; F149-Q193 VanDerWaalsContact CE2-OE1 3.23Å; F149-P195 HydrophobicContact CE1-CB 4.17Å; F149-P195 HydrophobicContact CZ-CB 3.78Å; F149-F198 AromaticContact CE1-CD2 3.73Å; F149-F198 HydrophobicContact CE1-CD2 3.73Å; F149-F198 AromaticContact CE1-CE2 3.99Å; F149-F198 HydrophobicContact CE1-CE2 3.99Å; F149-F198 HydrophobicContact CE1-CG 4.24Å; F149-F198 HydrophobicContact CZ-CD2 4.01Å; F149-F198 AromaticContact CZ-CE2 3.96Å; F149-F198 HydrophobicContact CZ-CE2 3.96Å
150	P	98.9	Very high	98.9	Very high	64 Å²	64	30 Å²	30	42%	0.416	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-56.2	-32.1	168.4	-22.6	33.9	0	0	0	112.2	E121 Q122 Y147 I148 F152	E121-P150 HydrophobicContact CB-CB 4.27Å; Q122-P150 WeakPolarHBondContact CB-O 3.46Å; Y147-P150 WeakPolarHBondContact O-CD 3.38Å; I148-P150 VanDerWaalsContact C-CD 3.48Å; P150-F152 VanDerWaalsContact C-N 3.35Å
151	A	98.9	Very high	98.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-86.4	1.1	176.3	0	0	0	0	0	114.4	E121 V125 I148 F149 D153 Q154 I155	E121-A151 HydrophobicContact CB-CB 4.36Å; V125-A151 HydrophobicContact CB-CB 3.92Å; V125-A151 HydrophobicContact CG2-CB 3.49Å; V125-A151 VanDerWaalsContact CG2-CB 3.49Å; I148-A151 CarbonylContact O-C 3.59Å; I148-A151 WeakPolarHBondContact O-CA 3.44Å; I148-A151 WeakPolarHBondContact O-CB 3.42Å; I148-A151 PolarHBondContact O-N 3.12Å; F149-A151 PolarHBondContact O-N 2.83Å; A151-D153 VanDerWaalsContact C-N 3.27Å; A151-D153 PolarHBondContact O-N 2.65Å; A151-Q154 PolarHBondContact O-N 3.33Å; A151-Q154 VanDerWaalsContact O-N 3.08Å; A151-I155 HydrophobicContact CB-CD1 4.29Å; A151-I155 WeakPolarHBondContact O-CG1 3.29Å; A151-I155 PolarHBondContact O-N 3.01Å
152	F	98.9	Very high	98.9	Very high	66 Å²	66	35.9 Å²	35.9	29%	0.289	18%	0.175	S	C	.	.	H	α-helix	trans	-56.9	-40.7	-173.9	-166.7	-100.9	0	0	0	112.5	I148 F149 P150 I155 V156 F198 F199	I148-F152 PolarHBondContact O-N 3.21Å; F149-F152 HydrophobicContact CD1-CD2 4.46Å; F149-F152 WeakPolarHBondContact O-CB 3.46Å; F149-F152 PolarHBondContact O-N 3.38Å; P150-F152 VanDerWaalsContact C-N 3.35Å; F152-I155 PolarHBondContact O-N 2.82Å; F152-V156 HydrophobicContact CD1-CB 4.48Å; F152-V156 HydrophobicContact CD1-CG2 3.97Å; F152-V156 HydrophobicContact CD2-CG2 4.18Å; F152-V156 HydrophobicContact CE1-CB 4.34Å; F152-V156 HydrophobicContact CE1-CG2 3.66Å; F152-V156 HydrophobicContact CE2-CG2 3.88Å; F152-V156 HydrophobicContact CG-CG2 4.23Å; F152-V156 HydrophobicContact CZ-CG2 3.62Å; F152-V156 VanDerWaalsContact O-CB 3.29Å; F152-V156 WeakPolarHBondContact O-CB 3.38Å; F152-V156 WeakPolarHBondContact O-CG2 3.43Å; F152-V156 PolarHBondContact O-N 3Å; F152-F198 HydrophobicContact CE2-CB 3.94Å; F152-F198 HydrophobicContact CZ-CB 4.42Å; F152-F199 HydrophobicContact CD2-CD1 4.25Å; F152-F199 AromaticContact CD2-CE1 3.45Å; F152-F199 HydrophobicContact CD2-CE1 3.45Å; F152-F199 VanDerWaalsContact CD2-CE1 3.45Å; F152-F199 AromaticContact CD2-CZ 3.7Å; F152-F199 HydrophobicContact CD2-CZ 3.7Å; F152-F199 AromaticContact CE2-CD1 3.93Å; F152-F199 HydrophobicContact CE2-CD1 3.93Å; F152-F199 AromaticContact CE2-CE1 3.59Å; F152-F199 HydrophobicContact CE2-CE1 3.59Å; F152-F199 HydrophobicContact CE2-CZ 4.02Å
153	D	98.9	Very high	98.9	Very high	87 Å²	87	39.2 Å²	39.2	47%	0.465	19%	0.187	S	C	.	.	H	α-helix	trans	-63.1	-45.4	176.8	-178.6	67.1	0	0	0	112.3	A151 I155 V156 N157 E158	A151-D153 VanDerWaalsContact C-N 3.27Å; A151-D153 PolarHBondContact O-N 2.65Å; D153-I155 VanDerWaalsContact C-N 3.31Å; D153-I155 PolarHBondContact O-N 2.63Å; D153-V156 PolarHBondContact O-N 2.82Å; D153-N157 WeakPolarHBondContact O-CA 3.42Å; D153-N157 WeakPolarHBondContact O-CB 3.31Å; D153-N157 PolarHBondContact O-N 2.8Å; D153-N157 PolarHBondContact OD1-ND2 2.87Å; D153-E158 PolarHBondContact O-N 2.95Å
154	Q	98.9	Very high	98.9	Very high	52 Å²	52	47.4 Å²	47.4	24%	0.243	22%	0.218	C	C	.	.	I	π-helix	trans	-63.2	-37.4	176	-70.1	-68.2	-38.2	0	0	111.7	V125 I129 A151 E158 A159	V125-Q154 HydrophobicContact CB-CB 4.13Å; V125-Q154 HydrophobicContact CG1-CB 3.77Å; I129-Q154 HydrophobicContact CD1-CB 4.13Å; I129-Q154 WeakPolarHBondContact CD1-O 3.26Å; A151-Q154 PolarHBondContact O-N 3.33Å; A151-Q154 VanDerWaalsContact O-N 3.08Å; Q154-E158 VanDerWaalsContact O-CB 3.3Å; Q154-E158 WeakPolarHBondContact O-CB 3.45Å; Q154-E158 PolarHBondContact O-N 3.21Å; Q154-A159 PolarHBondContact O-N 3.34Å
155	I	98.9	Very high	98.9	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	24%	0.236	C	C	.	.	I	π-helix	trans	-69.9	-50.7	177.5	-64	169	0	0	0	110.5	V125 I148 A151 F152 D153 A160 I177 F199 I205 L231	V125-I155 HydrophobicContact CG1-CG1 3.91Å; V125-I155 HydrophobicContact CG2-CG1 4.44Å; I148-I155 HydrophobicContact CD1-CD1 3.84Å; I148-I155 HydrophobicContact CG1-CD1 3.66Å; A151-I155 HydrophobicContact CB-CD1 4.29Å; A151-I155 WeakPolarHBondContact O-CG1 3.29Å; A151-I155 PolarHBondContact O-N 3.01Å; F152-I155 PolarHBondContact O-N 2.82Å; D153-I155 VanDerWaalsContact C-N 3.31Å; D153-I155 PolarHBondContact O-N 2.63Å; I155-A160 WeakPolarHBondContact O-CB 3.39Å; I155-A160 PolarHBondContact O-N 3.18Å; I155-I177 HydrophobicContact CD1-CD1 4.15Å; I155-I177 HydrophobicContact CG1-CD1 3.85Å; I155-F199 HydrophobicContact CB-CE1 4.14Å; I155-F199 HydrophobicContact CD1-CE1 3.81Å; I155-F199 HydrophobicContact CD1-CZ 4.03Å; I155-F199 HydrophobicContact CG2-CD1 3.87Å; I155-F199 HydrophobicContact CG2-CE1 3.72Å; I155-I205 HydrophobicContact CG2-CD1 4.06Å; I155-I205 HydrophobicContact CG2-CG2 4.33Å; I155-L231 HydrophobicContact CD1-CD2 4.25Å; I155-L231 HydrophobicContact CG2-CD1 4.28Å; I155-L231 HydrophobicContact CG2-CD2 4.29Å
156	V	98.9	Very high	98.9	Very high	22 Å²	22	53.4 Å²	53.4	13%	0.133	24%	0.244	C	C	.	.	I	π-helix	trans	-82.7	-44.6	-167.7	169.8	0	0	0	0	112.7	F152 D153 K161 C202	F152-V156 HydrophobicContact CD1-CB 4.48Å; F152-V156 HydrophobicContact CD1-CG2 3.97Å; F152-V156 HydrophobicContact CD2-CG2 4.18Å; F152-V156 HydrophobicContact CE1-CB 4.34Å; F152-V156 HydrophobicContact CE1-CG2 3.66Å; F152-V156 HydrophobicContact CE2-CG2 3.88Å; F152-V156 HydrophobicContact CG-CG2 4.23Å; F152-V156 HydrophobicContact CZ-CG2 3.62Å; F152-V156 VanDerWaalsContact O-CB 3.29Å; F152-V156 WeakPolarHBondContact O-CB 3.38Å; F152-V156 WeakPolarHBondContact O-CG2 3.43Å; F152-V156 PolarHBondContact O-N 3Å; D153-V156 PolarHBondContact O-N 2.82Å; V156-K161 PolarHBondContact O-NZ 3.08Å; V156-C202 HydrophobicContact CG2-CB 4.23Å
157	N	98.9	Very high	98.8	Very high	71 Å²	71	56.2 Å²	56.2	38%	0.38	27%	0.274	S	S	.	.	I	π-helix	trans	-91.7	-31.7	-175.7	-72.9	-33	0	0	0	112.9	D153 K161	D153-N157 WeakPolarHBondContact O-CA 3.42Å; D153-N157 WeakPolarHBondContact O-CB 3.31Å; D153-N157 PolarHBondContact O-N 2.8Å; D153-N157 PolarHBondContact OD1-ND2 2.87Å; N157-K161 PolarHBondContact OD1-NZ 2.91Å; N157-K161 VanDerWaalsContact OD1-NZ 3.11Å
158	E	98.9	Very high	98.8	Very high	56 Å²	56	57.7 Å²	57.7	26%	0.262	29%	0.287	S	S	.	.	I	π-helix	trans	-96.7	-68.2	-178.8	-59.6	-64.4	115.8	0	0	111.9	I129 D153 Q154 K161 Y162 R165	I129-E158 HydrophobicContact CD1-CB 3.88Å; D153-E158 PolarHBondContact O-N 2.95Å; Q154-E158 VanDerWaalsContact O-CB 3.3Å; Q154-E158 WeakPolarHBondContact O-CB 3.45Å; Q154-E158 PolarHBondContact O-N 3.21Å; E158-K161 PolarHBondContact O-N 3Å; E158-Y162 WeakPolarHBondContact O-CA 3.45Å; E158-Y162 WeakPolarHBondContact O-CB 3.48Å; E158-Y162 PolarHBondContact O-N 2.82Å; E158-R165 IonicContact OE1-CZ 3Å; E158-R165 IonicContact OE1-NH1 3.2Å; E158-R165 PolarHBondContact OE1-NH1 2.94Å; E158-R165 IonicContact OE2-CZ 2.63Å; E158-R165 IonicContact OE2-NH1 2.82Å; E158-R165 PolarHBondContact OE2-NH1 2.79Å; E158-R165 IonicContact OE2-NH2 3.66Å; E158-R165 PolarHBondContact OE2-NH2 2.96Å
159	A	98.9	Very high	98.8	Very high	3 Å²	3	64.5 Å²	64.5	3%	0.025	32%	0.322	C	S	.	.	I	π-helix	trans	-60.1	-54.4	-172.3	0	0	0	0	0	112.3	I129 Q154 K161 Y162 C172 L175 P229	I129-A159 HydrophobicContact CD1-CB 3.83Å; I129-A159 HydrophobicContact CG1-CB 4Å; Q154-A159 PolarHBondContact O-N 3.34Å; A159-K161 PolarHBondContact O-N 2.97Å; A159-Y162 WeakPolarHBondContact O-CB 3.2Å; A159-Y162 PolarHBondContact O-N 3.44Å; A159-C172 PolarHBondContact O-SG 3.43Å; A159-L175 HydrophobicContact CB-CD2 4.35Å; A159-P229 HydrophobicContact CB-CB 4.11Å; A159-P229 HydrophobicContact CB-CG 4.28Å
160	A	98.9	Very high	98.8	Very high	8 Å²	8	67.6 Å²	67.6	7%	0.066	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-33.2	-177	0	0	0	0	0	113.2	I155 C202 G204 I205	I155-A160 WeakPolarHBondContact O-CB 3.39Å; I155-A160 PolarHBondContact O-N 3.18Å; A160-C202 WeakPolarHBondContact CB-SG 3.12Å; A160-G204 WeakPolarHBondContact O-CA 3.46Å; A160-I205 HydrophobicContact CB-CG2 3.73Å
161	K	98.9	Very high	98.8	Very high	81 Å²	81	66.9 Å²	66.9	35%	0.352	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-4.5	-175.2	-57.5	-176.4	176.8	79.4	0	112.8	V156 N157 E158 A159 R163 Y164 R165	V156-K161 PolarHBondContact O-NZ 3.08Å; N157-K161 PolarHBondContact OD1-NZ 2.91Å; N157-K161 VanDerWaalsContact OD1-NZ 3.11Å; E158-K161 PolarHBondContact O-N 3Å; A159-K161 PolarHBondContact O-N 2.97Å; K161-R163 PolarHBondContact O-N 3.4Å; K161-Y164 PolarHBondContact O-N 2.84Å; K161-R165 WeakPolarHBondContact O-CB 3.48Å; K161-R165 VanDerWaalsContact O-CG 3.24Å; K161-R165 WeakPolarHBondContact O-CG 3.36Å; K161-R165 PolarHBondContact O-N 3.31Å
162	Y	98.9	Very high	98.8	Very high	49 Å²	49	67 Å²	67	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-59.3	-47.8	-168.5	-144.9	-79.6	0	0	0	112.9	I129 A133 E158 A159 S166 F170 C172	I129-Y162 HydrophobicContact CG2-CD2 3.64Å; I129-Y162 HydrophobicContact CG2-CE2 3.39Å; A133-Y162 HydrophobicContact CB-CE1 4.1Å; E158-Y162 WeakPolarHBondContact O-CA 3.45Å; E158-Y162 WeakPolarHBondContact O-CB 3.48Å; E158-Y162 PolarHBondContact O-N 2.82Å; A159-Y162 WeakPolarHBondContact O-CB 3.2Å; A159-Y162 PolarHBondContact O-N 3.44Å; Y162-S166 PolarHBondContact O-OG 3.19Å; Y162-F170 HydrophobicContact CD1-CB 4.19Å; Y162-F170 HydrophobicContact CE1-CB 3.8Å; Y162-C172 HydrophobicContact CG-CB 4.47Å
163	R	98.8	Very high	98.7	Very high	69 Å²	69	63.9 Å²	63.9	26%	0.26	32%	0.316	S	S	.	.	H	α-helix	trans	-67.8	-43.2	177.3	-169.6	-177	-63.3	-67.1	-4.4	111.9	K161 S166 N168 F170 D171 N227	K161-R163 PolarHBondContact O-N 3.4Å; R163-S166 PolarHBondContact O-OG 3.47Å; R163-S166 VanDerWaalsContact O-OG 3.12Å; R163-N168 WeakPolarHBondContact CD-OD1 3.45Å; R163-N168 HydrophobicContact CG-CB 4.35Å; R163-N168 WeakPolarHBondContact CG-OD1 3.23Å; R163-N168 PolarHBondContact NH1-OD1 3.23Å; R163-N168 PolarHBondContact O-N 2.83Å; R163-F170 WeakPolarHBondContact CA-O 3.35Å; R163-D171 HydrophobicContact CB-CB 4Å; R163-D171 HydrophobicContact CG-CB 4.13Å; R163-D171 IonicContact CZ-OD1 2.59Å; R163-D171 IonicContact CZ-OD2 2.87Å; R163-D171 IonicContact NH1-OD1 3.1Å; R163-D171 IonicContact NH1-OD2 2.69Å; R163-D171 PolarHBondContact NH1-OD2 3.42Å; R163-D171 VanDerWaalsContact NH2-CB 3.33Å; R163-D171 IonicContact NH2-OD1 3.81Å; R163-D171 PolarHBondContact NH2-OD1 3.36Å; R163-D171 IonicContact NH2-OD2 3.4Å; R163-D171 PolarHBondContact NH2-OD2 3.19Å; R163-N227 PolarHBondContact NH2-O 3Å
164	Y	98.8	Very high	98.7	Very high	206 Å²	206	61.7 Å²	61.7	81%	0.808	30%	0.304	S	S	*	.	H	α-helix	trans	-67.3	-49.6	-176.7	-174.5	-94	0	0	0	111.9	K161 S166 G167	K161-Y164 PolarHBondContact O-N 2.84Å; Y164-S166 PolarHBondContact O-N 3.4Å; Y164-G167 PolarHBondContact O-N 2.82Å; Y164-G167 VanDerWaalsContact O-N 3.15Å
165	R	98.8	Very high	98.7	Very high	121 Å²	121	59.2 Å²	59.2	46%	0.457	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-21.4	-176.1	76.5	-172.3	178.3	175.1	-1.6	113.7	E158 K161	E158-R165 IonicContact OE1-CZ 3Å; E158-R165 IonicContact OE1-NH1 3.2Å; E158-R165 PolarHBondContact OE1-NH1 2.94Å; E158-R165 IonicContact OE2-CZ 2.63Å; E158-R165 IonicContact OE2-NH1 2.82Å; E158-R165 PolarHBondContact OE2-NH1 2.79Å; E158-R165 IonicContact OE2-NH2 3.66Å; E158-R165 PolarHBondContact OE2-NH2 2.96Å; K161-R165 WeakPolarHBondContact O-CB 3.48Å; K161-R165 VanDerWaalsContact O-CG 3.24Å; K161-R165 WeakPolarHBondContact O-CG 3.36Å; K161-R165 PolarHBondContact O-N 3.31Å
166	S	98.7	Very high	98.7	Very high	25 Å²	25	59.2 Å²	59.2	18%	0.175	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-4.3	-179.9	73.3	0	0	0	0	113.2	Y162 R163 Y164 N168 L169 F170	Y162-S166 PolarHBondContact O-OG 3.19Å; R163-S166 PolarHBondContact O-OG 3.47Å; R163-S166 VanDerWaalsContact O-OG 3.12Å; Y164-S166 PolarHBondContact O-N 3.4Å; S166-N168 PolarHBondContact O-N 2.89Å; S166-N168 PolarHBondContact OG-N 3.08Å; S166-L169 WeakPolarHBondContact O-CB 3.47Å; S166-L169 VanDerWaalsContact O-CG 3.3Å; S166-L169 WeakPolarHBondContact O-CG 3.45Å; S166-L169 PolarHBondContact O-N 2.98Å; S166-L169 PolarHBondContact OG-N 3.36Å; S166-F170 PolarHBondContact OG-N 3.41Å; S166-F170 VanDerWaalsContact OG-N 3.12Å; S166-F170 PolarHBondContact OG-O 3.22Å
167	G	98.4	Very high	98.7	Very high	65 Å²	65	58.4 Å²	58.4	67%	0.67	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	34.7	-169	0	0	0	0	0	112.3	Y164 L169	Y164-G167 PolarHBondContact O-N 2.82Å; Y164-G167 VanDerWaalsContact O-N 3.15Å; G167-L169 PolarHBondContact O-N 2.77Å
168	N	98.5	Very high	98.7	Very high	98 Å²	98	55 Å²	55	52%	0.524	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	18.1	-175.2	-161.3	57.5	0	0	0	115.3	R163 S166 F170	R163-N168 WeakPolarHBondContact CD-OD1 3.45Å; R163-N168 HydrophobicContact CG-CB 4.35Å; R163-N168 WeakPolarHBondContact CG-OD1 3.23Å; R163-N168 PolarHBondContact NH1-OD1 3.23Å; R163-N168 PolarHBondContact O-N 2.83Å; S166-N168 PolarHBondContact O-N 2.89Å; S166-N168 PolarHBondContact OG-N 3.08Å; N168-F170 VanDerWaalsContact C-N 3.33Å
169	L	98.4	Very high	98.7	Very high	143 Å²	143	52.4 Å²	52.4	75%	0.749	26%	0.257	S	S	*	.	S	Bend	trans	-72.6	-29	170.6	-67.1	176.3	0	0	0	112.5	S166 G167	S166-L169 WeakPolarHBondContact O-CB 3.47Å; S166-L169 VanDerWaalsContact O-CG 3.3Å; S166-L169 WeakPolarHBondContact O-CG 3.45Å; S166-L169 PolarHBondContact O-N 2.98Å; S166-L169 PolarHBondContact OG-N 3.36Å; G167-L169 PolarHBondContact O-N 2.77Å
170	F	98.4	Very high	98.7	Very high	133 Å²	133	52.3 Å²	52.3	58%	0.583	26%	0.256	S	S	*	.	S	Bend	trans	-140.3	150.8	175	-57.1	-81.4	0	0	0	110.1	Y162 R163 S166 N168	Y162-F170 HydrophobicContact CD1-CB 4.19Å; Y162-F170 HydrophobicContact CE1-CB 3.8Å; R163-F170 WeakPolarHBondContact CA-O 3.35Å; S166-F170 PolarHBondContact OG-N 3.41Å; S166-F170 VanDerWaalsContact OG-N 3.12Å; S166-F170 PolarHBondContact OG-O 3.22Å; N168-F170 VanDerWaalsContact C-N 3.33Å
171	D	98.7	Very high	98.7	Very high	48 Å²	48	52 Å²	52	26%	0.257	25%	0.253	S	S	.	.			trans	-149.7	168.8	173.4	70.7	87.9	0	0	0	112	A133 R163 G173	A133-D171 VanDerWaalsContact CA-O 3.23Å; A133-D171 WeakPolarHBondContact CA-O 3.5Å; R163-D171 HydrophobicContact CB-CB 4Å; R163-D171 HydrophobicContact CG-CB 4.13Å; R163-D171 IonicContact CZ-OD1 2.59Å; R163-D171 IonicContact CZ-OD2 2.87Å; R163-D171 IonicContact NH1-OD1 3.1Å; R163-D171 IonicContact NH1-OD2 2.69Å; R163-D171 PolarHBondContact NH1-OD2 3.42Å; R163-D171 VanDerWaalsContact NH2-CB 3.33Å; R163-D171 IonicContact NH2-OD1 3.81Å; R163-D171 PolarHBondContact NH2-OD1 3.36Å; R163-D171 IonicContact NH2-OD2 3.4Å; R163-D171 PolarHBondContact NH2-OD2 3.19Å; D171-G173 WeakPolarHBondContact OD1-CA 3.24Å; D171-G173 PolarHBondContact OD1-N 2.94Å
172	C	98.8	Very high	98.7	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.014	24%	0.237	C	C	.	.			trans	-124.2	42.8	171.4	62.5	0	0	0	0	109.6	I129 A132 A159 Y162 N174 L175	I129-C172 HydrophobicContact CG2-CB 4.12Å; A132-C172 HydrophobicContact CB-CB 3.91Å; A159-C172 PolarHBondContact O-SG 3.43Å; Y162-C172 HydrophobicContact CG-CB 4.47Å; C172-N174 VanDerWaalsContact C-N 3.29Å; C172-N174 PolarHBondContact O-N 3.35Å; C172-L175 WeakPolarHBondContact O-CB 3.36Å; C172-L175 PolarHBondContact O-N 3.09Å
173	G	98.1	Very high	98.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-39.4	-175.2	0	0	0	0	0	112.6	D171 L175 N227 N228	D171-G173 WeakPolarHBondContact OD1-CA 3.24Å; D171-G173 PolarHBondContact OD1-N 2.94Å; G173-L175 PolarHBondContact O-N 2.84Å; G173-N227 WeakPolarHBondContact CA-O 3.3Å; G173-N228 CarbonylContact O-C 3.56Å; G173-N228 VanDerWaalsContact O-C 3.26Å; G173-N228 PolarHBondContact O-N 3.42Å; G173-N228 VanDerWaalsContact O-O 3.14Å
174	N	98.1	Very high	98.6	Very high	41 Å²	41	44.2 Å²	44.2	22%	0.219	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	24.7	-178.2	-55.2	-15.4	0	0	0	113.6	A138 C172	A138-N174 PolarHBondContact N-O 3.19Å; C172-N174 VanDerWaalsContact C-N 3.29Å; C172-N174 PolarHBondContact O-N 3.35Å
175	L	98.9	Very high	98.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.3	176.3	175.6	61.4	0	0	0	110	I129 A132 A138 A159 C172 G173 I177 P229 C230	I129-L175 HydrophobicContact CG1-CD2 3.61Å; A132-L175 HydrophobicContact CB-CB 3.97Å; A138-L175 HydrophobicContact CB-CD1 4.02Å; A138-L175 WeakPolarHBondContact O-CA 3.21Å; A159-L175 HydrophobicContact CB-CD2 4.35Å; C172-L175 WeakPolarHBondContact O-CB 3.36Å; C172-L175 PolarHBondContact O-N 3.09Å; G173-L175 PolarHBondContact O-N 2.84Å; L175-I177 HydrophobicContact CD1-CG1 4.1Å; L175-I177 HydrophobicContact CD2-CD1 4.24Å; L175-I177 HydrophobicContact CD2-CG1 4.38Å; L175-I177 HydrophobicContact CG-CD1 4.5Å; L175-I177 HydrophobicContact CG-CG1 4.13Å; L175-P229 HydrophobicContact CB-CB 4.45Å; L175-P229 HydrophobicContact CD2-CB 4.47Å; L175-P229 WeakPolarHBondContact O-CA 3.2Å; L175-C230 PolarHBondContact O-N 2.78Å
176	T	99	Very high	98.4	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125	164.6	-67.2	0	0	0	0	109.5	A138 I139 A140 L220 C223 I224 C230 F232	A138-T176 PolarHBondContact O-N 2.99Å; I139-T176 CarbonylContact C-O 3.53Å; I139-T176 WeakPolarHBondContact CA-O 3.44Å; A140-T176 PolarHBondContact N-O 3.22Å; T176-L220 HydrophobicContact CG2-CD1 4.02Å; T176-C223 HydrophobicContact CG2-CB 4.17Å; T176-C223 PolarHBondContact OG1-O 2.82Å; T176-I224 HydrophobicContact CG2-CG1 4.38Å; T176-I224 WeakPolarHBondContact OG1-CA 3.23Å; T176-I224 PolarHBondContact OG1-N 2.91Å; T176-C230 CarbonylContact C-O 3.09Å; T176-C230 WeakPolarHBondContact CA-O 3.45Å; T176-F232 HydrophobicContact CG2-CB 4.34Å
177	I	99	Very high	98.4	Very high	4 Å²	4	36 Å²	36	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.9	172.5	-56.5	164.2	0	0	0	107.4	V125 A140 I142 I148 I155 L175 C230 L231 F232	V125-I177 HydrophobicContact CB-CD1 4.43Å; V125-I177 HydrophobicContact CG1-CD1 3.7Å; V125-I177 HydrophobicContact CG2-CD1 3.87Å; V125-I177 HydrophobicContact CG2-CG1 4.4Å; A140-I177 HydrophobicContact CB-CG1 4.25Å; A140-I177 WeakPolarHBondContact O-CA 3.45Å; I142-I177 HydrophobicContact CG1-CG2 3.86Å; I148-I177 HydrophobicContact CD1-CG2 4.47Å; I155-I177 HydrophobicContact CD1-CD1 4.15Å; I155-I177 HydrophobicContact CG1-CD1 3.85Å; L175-I177 HydrophobicContact CD1-CG1 4.1Å; L175-I177 HydrophobicContact CD2-CD1 4.24Å; L175-I177 HydrophobicContact CD2-CG1 4.38Å; L175-I177 HydrophobicContact CG-CD1 4.5Å; L175-I177 HydrophobicContact CG-CG1 4.13Å; I177-C230 PolarHBondContact N-O 3.45Å; I177-L231 HydrophobicContact CB-CD2 3.73Å; I177-L231 HydrophobicContact CD1-CD2 3.71Å; I177-L231 HydrophobicContact CG1-CD2 4.24Å; I177-L231 HydrophobicContact CG2-CD2 4.25Å; I177-L231 CarbonylContact O-C 3.54Å; I177-L231 WeakPolarHBondContact O-CA 3.37Å; I177-F232 PolarHBondContact O-N 2.83Å
178	R	98.9	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140.3	179.2	41.3	-179.5	-64	-74.5	-15.7	111.4	I139 A140 E141 I142 F232 E234	I139-R178 HydrophobicContact CG2-CG 4.17Å; A140-R178 VanDerWaalsContact O-CG 3.26Å; A140-R178 WeakPolarHBondContact O-CG 3.49Å; A140-R178 PolarHBondContact O-N 2.94Å; E141-R178 WeakPolarHBondContact CA-O 3.44Å; E141-R178 IonicContact OE2-CZ 3.73Å; E141-R178 IonicContact OE2-NH1 3.04Å; E141-R178 PolarHBondContact OE2-NH1 3.28Å; E141-R178 IonicContact OE2-NH2 3.31Å; E141-R178 PolarHBondContact OE2-NH2 3.46Å; I142-R178 PolarHBondContact N-O 3.16Å; R178-F232 VanDerWaalsContact CA-O 3.25Å; R178-F232 WeakPolarHBondContact CA-O 3.28Å; R178-F232 HydrophobicContact CB-CB 4.3Å; R178-F232 HydrophobicContact CB-CD1 4.43Å; R178-E234 IonicContact CZ-OE1 3.42Å; R178-E234 IonicContact NE-OE1 2.89Å; R178-E234 PolarHBondContact NE-OE1 2.9Å; R178-E234 IonicContact NH2-OE1 2.66Å; R178-E234 PolarHBondContact NH2-OE1 2.93Å; R178-E234 IonicContact NH2-OE2 3.34Å; R178-E234 PolarHBondContact NH2-OE2 3.29Å
179	A	98.9	Very high	98.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	137.7	-177.2	0	0	0	0	0	112.9	I142 A145 W181 F232 F233 E234	I142-A179 HydrophobicContact CB-CB 4.13Å; I142-A179 WeakPolarHBondContact O-CA 3.15Å; A145-A179 HydrophobicContact CB-CB 4.2Å; A179-W181 PolarHBondContact O-N 3.22Å; A179-F232 PolarHBondContact N-O 2.93Å; A179-F233 HydrophobicContact CB-CD1 4.08Å; A179-F233 HydrophobicContact CB-CE1 4.15Å; A179-F233 WeakPolarHBondContact O-CA 3.23Å; A179-E234 PolarHBondContact O-N 2.67Å
180	P	98.9	Very high	98.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	129.8	170.1	-23.5	34.5	0	0	0	112.3	F99 I142 Q143 F144 A145 E234 K236 Y239	F99-P180 HydrophobicContact CD2-CB 4.13Å; F99-P180 HydrophobicContact CD2-CG 3.55Å; F99-P180 HydrophobicContact CE2-CB 3.82Å; F99-P180 HydrophobicContact CE2-CG 3.61Å; F99-P180 HydrophobicContact CZ-CB 4.48Å; I142-P180 VanDerWaalsContact O-CD 3.26Å; I142-P180 WeakPolarHBondContact O-CD 3.35Å; Q143-P180 VanDerWaalsContact O-CD 3.3Å; Q143-P180 WeakPolarHBondContact O-CD 3.42Å; Q143-P180 WeakPolarHBondContact O-CG 3.33Å; F144-P180 HydrophobicContact CD1-CB 4.5Å; A145-P180 VanDerWaalsContact CB-O 3.25Å; A145-P180 WeakPolarHBondContact CB-O 3.29Å; A145-P180 PolarHBondContact N-O 3.12Å; P180-E234 CarbonylContact C-O 3.55Å; P180-E234 WeakPolarHBondContact CA-O 3.21Å; P180-K236 HydrophobicContact CB-CB 3.98Å; P180-K236 HydrophobicContact CB-CD 4.49Å; P180-K236 WeakPolarHBondContact O-CE 3.4Å; P180-Y239 HydrophobicContact CB-CE2 4.07Å; P180-Y239 HydrophobicContact CG-CE2 4.27Å; P180-Y239 WeakPolarHBondContact CG-OH 3.45Å
181	W	98.9	Very high	98.4	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	156.3	-167.3	175.6	105	0	0	0	112.8	A145 A179 S194 E196 I209 F233 E234 P235 K236	A145-W181 HydrophobicContact CB-CB 4.33Å; A179-W181 PolarHBondContact O-N 3.22Å; W181-S194 VanDerWaalsContact CE2-CB 3.49Å; W181-S194 VanDerWaalsContact CE2-OG 3.26Å; W181-S194 WeakPolarHBondContact CH2-OG 3.44Å; W181-S194 WeakPolarHBondContact CZ2-OG 3.42Å; W181-S194 VanDerWaalsContact NE1-CA 3.28Å; W181-E196 WeakPolarHBondContact CZ2-OE2 3.25Å; W181-E196 PolarHBondContact NE1-OE2 3.36Å; W181-I209 HydrophobicContact CE3-CG2 4.45Å; W181-I209 HydrophobicContact CZ2-CD1 4.15Å; W181-F233 HydrophobicContact CB-CB 3.59Å; W181-F233 HydrophobicContact CB-CD1 4.06Å; W181-F233 HydrophobicContact CB-CG 4.09Å; W181-F233 AromaticContact CD1-CD1 3.73Å; W181-F233 AromaticContact CD1-CD2 3.86Å; W181-F233 AromaticContact CD1-CG 3.44Å; W181-F233 VanDerWaalsContact CD1-CG 3.44Å; W181-F233 HydrophobicContact CD2-CB 4.5Å; W181-F233 HydrophobicContact CG-CB 3.64Å; W181-F233 HydrophobicContact CG-CD1 4.26Å; W181-F233 AromaticContact CG-CG 3.99Å; W181-F233 HydrophobicContact CG-CG 3.99Å; W181-E234 PolarHBondContact N-O 2.96Å; W181-P235 HydrophobicContact CE3-CB 4.25Å; W181-P235 HydrophobicContact CE3-CG 4.25Å; W181-P235 WeakPolarHBondContact O-CA 3.36Å; W181-K236 PolarHBondContact O-N 3.48Å
182	G	98.7	Very high	98.4	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.01	15%	0.145	C	C	.	.	S	Bend	trans	80.9	172.6	168.8	0	0	0	0	0	115	S192 Q193 K236	G182-S192 CarbonylContact C-O 3.54Å; G182-S192 WeakPolarHBondContact O-CA 3.13Å; G182-Q193 PolarHBondContact N-O 3.08Å; G182-K236 PolarHBondContact O-NZ 3.33Å
183	C	98.3	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.			trans	-65.7	162.9	-177.4	72.8	0	0	0	0	113.3	H48 I237 E325 F362 E367	H48-C183 PolarHBondContact CE1-SG 3.21Å; C183-I237 WeakPolarHBondContact O-CB 3.45Å; C183-E325 WeakPolarHBondContact CB-OE2 3.22Å; C183-E325 PolarHBondContact N-OE2 3.11Å; C183-E325 PolarHBondContact SG-OE2 3.07Å; C183-F362 HydrophobicContact CB-CE1 4.3Å; C183-F362 HydrophobicContact CB-CE2 3.65Å; C183-F362 HydrophobicContact CB-CZ 3.32Å; C183-E367 WeakPolarHBondContact CB-OE1 3.4Å
184	V	97.9	Very high	98.5	Very high	36 Å²	36	30 Å²	30	22%	0.218	16%	0.159	C	C	.	.			trans	-143.9	10.5	-176.4	74.6	0	0	0	0	113.6	H186 K236	V184-H186 VanDerWaalsContact C-N 3.33Å; V184-H186 PolarHBondContact O-CE1 3.07Å; V184-H186 PolarHBondContact O-N 2.91Å; V184-H186 PolarHBondContact O-ND1 3.25Å; V184-H186 VanDerWaalsContact O-ND1 3.1Å; V184-K236 HydrophobicContact CB-CD 4.22Å; V184-K236 HydrophobicContact CB-CG 4.12Å; V184-K236 HydrophobicContact CG2-CD 4.47Å; V184-K236 HydrophobicContact CG2-CG 4.14Å
185	G	96.7	Very high	98.5	Very high	43 Å²	43	28.1 Å²	28.1	44%	0.443	15%	0.149	S	C	.	.	S	Bend	trans	91.7	-21.6	179.7	0	0	0	0	0	114.9	E367	G185-E367 WeakPolarHBondContact CA-OE1 3.22Å; G185-E367 VanDerWaalsContact CA-OE2 3.31Å; G185-E367 WeakPolarHBondContact CA-OE2 3.4Å; G185-E367 PolarHBondContact N-OE1 3.02Å; G185-E367 PolarHBondContact N-OE2 3.48Å
186	H	97.1	Very high	98.5	Very high	130 Å²	130	28.1 Å²	28.1	60%	0.602	15%	0.149	S	C	*	.	S	Bend	trans	-157	17.3	-173.3	53.6	-77.1	0	0	0	113.3	V184 S188 H364 E367	V184-H186 VanDerWaalsContact C-N 3.33Å; V184-H186 PolarHBondContact O-CE1 3.07Å; V184-H186 PolarHBondContact O-N 2.91Å; V184-H186 PolarHBondContact O-ND1 3.25Å; V184-H186 VanDerWaalsContact O-ND1 3.1Å; H186-S188 VanDerWaalsContact C-N 3.33Å; H186-S188 PolarHBondContact O-N 3.29Å; H186-H364 PolarHBondContact O-CD2 2.82Å; H186-E367 PolarHBondContact N-OE2 3.3Å
187	G	97.7	Very high	98.5	Very high	6 Å²	6	29.2 Å²	29.2	6%	0.062	16%	0.158	C	C	.	.			trans	-76	-19.9	-172.8	0	0	0	0	0	114.3	H191 S192	G187-H191 PolarHBondContact O-N 3.4Å; G187-H191 PolarHBondContact O-ND1 3.19Å; G187-S192 VanDerWaalsContact CA-OG 3.23Å; G187-S192 WeakPolarHBondContact CA-OG 3.17Å
188	S	98.6	Very high	98.5	Very high	31 Å²	31	34.8 Å²	34.8	22%	0.217	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	54.8	-148.4	-177.7	-164.7	0	0	0	0	111.7	H186 Y190 S192 F362 H364	H186-S188 VanDerWaalsContact C-N 3.33Å; H186-S188 PolarHBondContact O-N 3.29Å; S188-Y190 VanDerWaalsContact C-N 3.31Å; S188-Y190 PolarHBondContact O-N 2.95Å; S188-S192 PolarHBondContact N-OG 2.88Å; S188-S192 VanDerWaalsContact O-CB 3.25Å; S188-S192 WeakPolarHBondContact O-CB 3.39Å; S188-S192 PolarHBondContact O-OG 3Å; S188-F362 CarbonylContact C-O 3.52Å; S188-H364 WeakPolarHBondContact OG-CB 3.38Å
189	L	98.4	Very high	98.5	Very high	63 Å²	63	34.8 Å²	34.8	33%	0.33	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-64	-29.2	-171.1	-75	73.8	0	0	0	114.7	Q193 P361 F362	L189-Q193 PolarHBondContact O-NE2 3.09Å; L189-P361 HydrophobicContact CD2-CB 4.22Å; L189-P361 HydrophobicContact CG-CB 4.09Å; L189-F362 WeakPolarHBondContact CA-O 3.48Å; L189-F362 WeakPolarHBondContact CD1-O 3.32Å; L189-F362 PolarHBondContact N-O 3.07Å; L189-F362 VanDerWaalsContact N-O 3.16Å
190	Y	98.6	Very high	98.5	Very high	139 Å²	139	35.8 Å²	35.8	55%	0.545	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-125.3	11.7	-163.9	-53.2	-61.9	0	0	0	114.5	D146 Y147 S188	D146-Y190 WeakPolarHBondContact CB-O 3.37Å; D146-Y190 VanDerWaalsContact OD1-CA 3.3Å; D146-Y190 WeakPolarHBondContact OD1-CA 3.37Å; Y147-Y190 PolarHBondContact OH-O 2.83Å; S188-Y190 VanDerWaalsContact C-N 3.31Å; S188-Y190 PolarHBondContact O-N 2.95Å
191	H	98.6	Very high	98.4	Very high	68 Å²	68	44 Å²	44	32%	0.315	23%	0.229	S	C	.	.	S	Bend	trans	-138.4	22.7	169.4	-52.6	95.5	0	0	0	112.2	F144 D146 Y147 G187 K236	F144-H191 HydrophobicContact CD1-CB 4.1Å; F144-H191 AromaticContact CD1-CD2 3.61Å; F144-H191 AromaticContact CD2-CD2 3.9Å; F144-H191 HydrophobicContact CE1-CB 3.97Å; F144-H191 AromaticContact CE1-CD2 3.4Å; F144-H191 VanDerWaalsContact CE1-CD2 3.4Å; F144-H191 WeakPolarHBondContact CE1-CD2 3.49Å; F144-H191 AromaticContact CE2-CD2 3.71Å; F144-H191 AromaticContact CG-CD2 3.86Å; F144-H191 AromaticContact CZ-CD2 3.46Å; F144-H191 VanDerWaalsContact CZ-CD2 3.46Å; F144-H191 WeakPolarHBondContact CZ-CD2 3.48Å; D146-H191 PolarHBondContact OD1-N 3.26Å; D146-H191 WeakPolarHBondContact OD2-CA 3.38Å; Y147-H191 AromaticContact CZ-NE2 3.98Å; Y147-H191 PolarHBondContact OH-CE1 3Å; Y147-H191 PolarHBondContact OH-NE2 3.07Å; G187-H191 PolarHBondContact O-N 3.4Å; G187-H191 PolarHBondContact O-ND1 3.19Å; H191-K236 PolarHBondContact O-NZ 3.1Å
192	S	98.8	Very high	98.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	23%	0.23	C	C	.	.	S	Bend	trans	-137.8	1.1	-174.4	-63	0	0	0	0	114	D146 G182 G187 S188 F362	D146-S192 PolarHBondContact OD1-N 3.08Å; G182-S192 CarbonylContact C-O 3.54Å; G182-S192 WeakPolarHBondContact O-CA 3.13Å; G187-S192 VanDerWaalsContact CA-OG 3.23Å; G187-S192 WeakPolarHBondContact CA-OG 3.17Å; S188-S192 PolarHBondContact N-OG 2.88Å; S188-S192 VanDerWaalsContact O-CB 3.25Å; S188-S192 WeakPolarHBondContact O-CB 3.39Å; S188-S192 PolarHBondContact O-OG 3Å; S192-F362 VanDerWaalsContact CB-CG 3.43Å; S192-F362 WeakPolarHBondContact OG-CE1 2.95Å
193	Q	98.8	Very high	98.4	Very high	48 Å²	48	49.4 Å²	49.4	22%	0.224	26%	0.264	C	S	.	.			trans	-69.9	151.9	-174.7	-71.8	179	68.5	0	0	113	D146 F149 G182 L189	D146-Q193 HydrophobicContact CB-CB 4.46Å; D146-Q193 VanDerWaalsContact OD1-CB 3.24Å; D146-Q193 WeakPolarHBondContact OD1-CB 3.49Å; D146-Q193 WeakPolarHBondContact OD1-CG 3.44Å; D146-Q193 PolarHBondContact OD1-N 3.37Å; D146-Q193 PolarHBondContact OD1-NE2 2.8Å; F149-Q193 VanDerWaalsContact CE2-OE1 3.23Å; G182-Q193 PolarHBondContact N-O 3.08Å; L189-Q193 PolarHBondContact O-NE2 3.09Å
194	S	98.8	Very high	98.4	Very high	15 Å²	15	51.3 Å²	51.3	11%	0.105	28%	0.283	C	S	.	.			trans	-124.6	82.1	174.1	-66.1	0	0	0	0	108.8	W181 E196 A326	W181-S194 VanDerWaalsContact CE2-CB 3.49Å; W181-S194 VanDerWaalsContact CE2-OG 3.26Å; W181-S194 WeakPolarHBondContact CH2-OG 3.44Å; W181-S194 WeakPolarHBondContact CZ2-OG 3.42Å; W181-S194 VanDerWaalsContact NE1-CA 3.28Å; S194-E196 VanDerWaalsContact C-N 3.33Å; S194-E196 WeakPolarHBondContact CA-OE2 3.29Å; S194-E196 WeakPolarHBondContact CB-OE2 3.3Å; S194-E196 PolarHBondContact O-N 2.59Å; S194-E196 VanDerWaalsContact O-OE2 3.07Å; S194-A326 WeakPolarHBondContact O-CB 3.46Å
195	P	98.8	Very high	98.5	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.006	27%	0.274	C	S	.	.			trans	-87.7	10.4	-167.4	35.6	-38.3	0	0	0	114.7	A145 I148 F149 A197 F198 F199 F233	A145-P195 HydrophobicContact CB-CG 3.91Å; I148-P195 HydrophobicContact CG2-CG 4.47Å; F149-P195 HydrophobicContact CE1-CB 4.17Å; F149-P195 HydrophobicContact CZ-CB 3.78Å; P195-A197 PolarHBondContact O-N 3.39Å; P195-A197 VanDerWaalsContact O-N 3.1Å; P195-F198 HydrophobicContact CB-CD2 3.97Å; P195-F198 WeakPolarHBondContact O-CB 3.36Å; P195-F198 PolarHBondContact O-N 3.29Å; P195-F199 HydrophobicContact CB-CE2 4.26Å; P195-F199 HydrophobicContact CG-CE2 4.4Å; P195-F199 WeakPolarHBondContact O-CD2 3.31Å; P195-F233 HydrophobicContact CG-CE1 4.06Å; P195-F233 HydrophobicContact CG-CE2 4.47Å; P195-F233 HydrophobicContact CG-CZ 3.82Å
196	E	98.9	Very high	98.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56	-33.9	-172.1	65.1	-80.6	-174.1	0	0	113.6	W181 S194 F198 F199 A200 V207 I209 F233 W272 I302 H324	W181-E196 WeakPolarHBondContact CZ2-OE2 3.25Å; W181-E196 PolarHBondContact NE1-OE2 3.36Å; S194-E196 VanDerWaalsContact C-N 3.33Å; S194-E196 WeakPolarHBondContact CA-OE2 3.29Å; S194-E196 WeakPolarHBondContact CB-OE2 3.3Å; S194-E196 PolarHBondContact O-N 2.59Å; S194-E196 VanDerWaalsContact O-OE2 3.07Å; E196-F198 VanDerWaalsContact C-N 3.32Å; E196-F198 PolarHBondContact O-N 3.31Å; E196-F199 PolarHBondContact O-N 3.44Å; E196-F199 VanDerWaalsContact O-N 3.16Å; E196-A200 WeakPolarHBondContact O-CB 3.33Å; E196-A200 PolarHBondContact O-N 3.45Å; E196-V207 HydrophobicContact CB-CG1 4.09Å; E196-I209 HydrophobicContact CB-CD1 4.02Å; E196-I209 HydrophobicContact CG-CD1 4.14Å; E196-F233 HydrophobicContact CB-CD2 4.45Å; E196-F233 HydrophobicContact CB-CE2 4.3Å; E196-W272 PolarHBondContact OE1-NE1 2.94Å; E196-I302 HydrophobicContact CB-CG1 4.15Å; E196-I302 HydrophobicContact CB-CG2 4.29Å; E196-I302 HydrophobicContact CG-CD1 4.41Å; E196-I302 HydrophobicContact CG-CG1 4.2Å; E196-I302 HydrophobicContact CG-CG2 4.37Å; E196-H324 IonicContact OE1-ND1 3.44Å
197	A	98.8	Very high	98.7	Very high	24 Å²	24	43.2 Å²	43.2	20%	0.198	23%	0.231	C	C	.	.	H	α-helix	trans	-67.4	-30	179.9	0	0	0	0	0	113.1	P195 F199 A200 G330 F332	P195-A197 PolarHBondContact O-N 3.39Å; P195-A197 VanDerWaalsContact O-N 3.1Å; A197-F199 PolarHBondContact O-N 3.28Å; A197-A200 PolarHBondContact O-N 3.49Å; A197-G330 WeakPolarHBondContact CB-O 3.49Å; A197-F332 HydrophobicContact CB-CB 4.47Å
198	F	98.9	Very high	98.7	Very high	122 Å²	122	42.9 Å²	42.9	54%	0.535	23%	0.228	S	C	.	.	H	α-helix	trans	-64	-35.2	174	-69.4	-70.7	0	0	0	111.7	F149 F152 P195 E196	F149-F198 AromaticContact CE1-CD2 3.73Å; F149-F198 HydrophobicContact CE1-CD2 3.73Å; F149-F198 AromaticContact CE1-CE2 3.99Å; F149-F198 HydrophobicContact CE1-CE2 3.99Å; F149-F198 HydrophobicContact CE1-CG 4.24Å; F149-F198 HydrophobicContact CZ-CD2 4.01Å; F149-F198 AromaticContact CZ-CE2 3.96Å; F149-F198 HydrophobicContact CZ-CE2 3.96Å; F152-F198 HydrophobicContact CE2-CB 3.94Å; F152-F198 HydrophobicContact CZ-CB 4.42Å; P195-F198 HydrophobicContact CB-CD2 3.97Å; P195-F198 WeakPolarHBondContact O-CB 3.36Å; P195-F198 PolarHBondContact O-N 3.29Å; E196-F198 VanDerWaalsContact C-N 3.32Å; E196-F198 PolarHBondContact O-N 3.31Å
199	F	98.9	Very high	98.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-88.6	-24.3	-178.4	-64.8	-69.8	0	0	0	112.9	I148 F152 I155 P195 E196 A197 H201 C202 I205 V207 L231 F233	I148-F199 HydrophobicContact CD1-CE2 4.12Å; I148-F199 HydrophobicContact CD1-CZ 3.93Å; I148-F199 HydrophobicContact CG1-CZ 4.07Å; I148-F199 HydrophobicContact CG2-CE2 3.76Å; I148-F199 HydrophobicContact CG2-CZ 3.7Å; F152-F199 HydrophobicContact CD2-CD1 4.25Å; F152-F199 AromaticContact CD2-CE1 3.45Å; F152-F199 HydrophobicContact CD2-CE1 3.45Å; F152-F199 VanDerWaalsContact CD2-CE1 3.45Å; F152-F199 AromaticContact CD2-CZ 3.7Å; F152-F199 HydrophobicContact CD2-CZ 3.7Å; F152-F199 AromaticContact CE2-CD1 3.93Å; F152-F199 HydrophobicContact CE2-CD1 3.93Å; F152-F199 AromaticContact CE2-CE1 3.59Å; F152-F199 HydrophobicContact CE2-CE1 3.59Å; F152-F199 HydrophobicContact CE2-CZ 4.02Å; I155-F199 HydrophobicContact CB-CE1 4.14Å; I155-F199 HydrophobicContact CD1-CE1 3.81Å; I155-F199 HydrophobicContact CD1-CZ 4.03Å; I155-F199 HydrophobicContact CG2-CD1 3.87Å; I155-F199 HydrophobicContact CG2-CE1 3.72Å; P195-F199 HydrophobicContact CB-CE2 4.26Å; P195-F199 HydrophobicContact CG-CE2 4.4Å; P195-F199 WeakPolarHBondContact O-CD2 3.31Å; E196-F199 PolarHBondContact O-N 3.44Å; E196-F199 VanDerWaalsContact O-N 3.16Å; A197-F199 PolarHBondContact O-N 3.28Å; F199-H201 PolarHBondContact O-N 3.35Å; F199-H201 VanDerWaalsContact O-N 3.16Å; F199-C202 WeakPolarHBondContact O-CB 3.13Å; F199-C202 PolarHBondContact O-N 2.71Å; F199-I205 HydrophobicContact CB-CD1 3.84Å; F199-I205 HydrophobicContact CD1-CD1 4.02Å; F199-I205 HydrophobicContact CG-CD1 4.36Å; F199-V207 HydrophobicContact CB-CG2 3.84Å; F199-L231 HydrophobicContact CB-CD1 3.82Å; F199-L231 HydrophobicContact CD1-CD1 3.53Å; F199-L231 HydrophobicContact CD2-CD1 3.73Å; F199-L231 HydrophobicContact CE1-CD1 3.96Å; F199-L231 HydrophobicContact CE2-CD1 4.14Å; F199-L231 HydrophobicContact CG-CD1 3.39Å; F199-L231 HydrophobicContact CZ-CD1 4.23Å; F199-F233 HydrophobicContact CD2-CE2 4.4Å; F199-F233 HydrophobicContact CD2-CZ 4.08Å; F199-F233 HydrophobicContact CE2-CZ 4.11Å
200	A	98.6	Very high	98.8	Very high	21 Å²	21	38.4 Å²	38.4	17%	0.174	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-23.5	177.5	0	0	0	0	0	113.5	E196 A197 C202 I302 F332	E196-A200 WeakPolarHBondContact O-CB 3.33Å; E196-A200 PolarHBondContact O-N 3.45Å; A197-A200 PolarHBondContact O-N 3.49Å; A200-C202 VanDerWaalsContact C-N 3.3Å; A200-C202 PolarHBondContact O-N 3.02Å; A200-I302 HydrophobicContact CB-CG2 4.03Å; A200-F332 HydrophobicContact CB-CD2 3.48Å; A200-F332 VanDerWaalsContact CB-CD2 3.48Å; A200-F332 HydrophobicContact CB-CE2 3.65Å
201	H	98.5	Very high	98.8	Very high	174 Å²	174	31.8 Å²	31.8	81%	0.806	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	14.3	175.5	-165.8	54.9	0	0	0	113.8	F199 P203	F199-H201 PolarHBondContact O-N 3.35Å; F199-H201 VanDerWaalsContact O-N 3.16Å; H201-P203 WeakPolarHBondContact O-CD 3.33Å
202	C	98.8	Very high	98.8	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.034	16%	0.161	C	C	.	.			trans	-115.4	96.4	-178.9	-172.2	0	0	0	0	111.6	V156 A160 F199 A200 G204 I205 L303	V156-C202 HydrophobicContact CG2-CB 4.23Å; A160-C202 WeakPolarHBondContact CB-SG 3.12Å; F199-C202 WeakPolarHBondContact O-CB 3.13Å; F199-C202 PolarHBondContact O-N 2.71Å; A200-C202 VanDerWaalsContact C-N 3.3Å; A200-C202 PolarHBondContact O-N 3.02Å; C202-G204 PolarHBondContact O-N 3.37Å; C202-I205 HydrophobicContact CB-CD1 4Å; C202-I205 HydrophobicContact CB-CG1 4.13Å; C202-I205 VanDerWaalsContact O-CG1 3.26Å; C202-I205 WeakPolarHBondContact O-CG1 3.39Å; C202-L303 WeakPolarHBondContact O-CD2 3.41Å
203	P	98.8	Very high	98.8	Very high	111 Å²	111	28.5 Å²	28.5	72%	0.721	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	133.1	175	-24	34.1	0	0	0	112.1	H201	H201-P203 WeakPolarHBondContact O-CD 3.33Å
204	G	98.4	Very high	98.7	Very high	39 Å²	39	27.1 Å²	27.1	40%	0.402	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	109.3	-5.2	175.1	0	0	0	0	0	115.5	A160 C202 P229	A160-G204 WeakPolarHBondContact O-CA 3.46Å; C202-G204 PolarHBondContact O-N 3.37Å; G204-P229 WeakPolarHBondContact O-CG 3.38Å
205	I	98.9	Very high	98.7	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	15%	0.151	C	C	.	.			trans	-110	160.4	166	50.7	165.7	0	0	0	110.8	I155 A160 F199 C202 V207 P229 L231 L303	I155-I205 HydrophobicContact CG2-CD1 4.06Å; I155-I205 HydrophobicContact CG2-CG2 4.33Å; A160-I205 HydrophobicContact CB-CG2 3.73Å; F199-I205 HydrophobicContact CB-CD1 3.84Å; F199-I205 HydrophobicContact CD1-CD1 4.02Å; F199-I205 HydrophobicContact CG-CD1 4.36Å; C202-I205 HydrophobicContact CB-CD1 4Å; C202-I205 HydrophobicContact CB-CG1 4.13Å; C202-I205 VanDerWaalsContact O-CG1 3.26Å; C202-I205 WeakPolarHBondContact O-CG1 3.39Å; I205-V207 HydrophobicContact CD1-CG2 4.25Å; I205-P229 WeakPolarHBondContact CA-O 3.43Å; I205-P229 HydrophobicContact CG2-CB 4.13Å; I205-P229 HydrophobicContact CG2-CG 3.8Å; I205-L231 HydrophobicContact CD1-CD1 4.04Å; I205-L231 HydrophobicContact CD1-CG 4.47Å; I205-L303 HydrophobicContact CG1-CD2 4.42Å; I205-L303 WeakPolarHBondContact O-CD2 3.3Å
206	K	98.9	Very high	98.7	Very high	33 Å²	33	26.6 Å²	26.6	14%	0.143	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	147	165.9	-58.8	-168.4	176.1	-179.4	0	110.9	D226 N228 P229 L231 L255 L303	K206-D226 WeakPolarHBondContact CD-OD1 3.47Å; K206-D226 WeakPolarHBondContact CE-OD1 3.46Å; K206-D226 IonicContact NZ-OD1 3.5Å; K206-D226 PolarHBondContact NZ-OD1 3.11Å; K206-D226 VanDerWaalsContact NZ-OD1 3.1Å; K206-D226 IonicContact NZ-OD2 3.36Å; K206-D226 PolarHBondContact NZ-OD2 3.26Å; K206-N228 HydrophobicContact CG-CB 4.41Å; K206-P229 PolarHBondContact N-O 2.83Å; K206-L231 PolarHBondContact O-N 2.95Å; K206-L255 HydrophobicContact CD-CD1 3.87Å; K206-L303 CarbonylContact C-O 3.54Å; K206-L303 WeakPolarHBondContact CA-O 3.08Å
207	V	98.9	Very high	98.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.9	179.9	-176.8	0	0	0	0	109.6	E196 F199 I205 L231 F233 T301 I302 L303	E196-V207 HydrophobicContact CB-CG1 4.09Å; F199-V207 HydrophobicContact CB-CG2 3.84Å; I205-V207 HydrophobicContact CD1-CG2 4.25Å; V207-L231 WeakPolarHBondContact CA-O 3.44Å; V207-L231 HydrophobicContact CG2-CB 4.32Å; V207-L231 HydrophobicContact CG2-CD1 4.19Å; V207-L231 HydrophobicContact CG2-CG 4.48Å; V207-F233 HydrophobicContact CG1-CD2 3.96Å; V207-F233 HydrophobicContact CG1-CE2 3.83Å; V207-T301 CarbonylContact O-C 3.55Å; V207-T301 WeakPolarHBondContact O-CA 3.41Å; V207-T301 WeakPolarHBondContact O-CG2 3.25Å; V207-I302 HydrophobicContact CB-CB 4.02Å; V207-I302 HydrophobicContact CG1-CB 3.96Å; V207-I302 HydrophobicContact CG1-CG1 4.17Å; V207-I302 HydrophobicContact CG1-CG2 4.5Å; V207-I302 PolarHBondContact O-N 2.93Å; V207-L303 HydrophobicContact CB-CB 4.35Å; V207-L303 HydrophobicContact CG2-CB 4.32Å; V207-L303 PolarHBondContact N-O 3.08Å; V207-L303 PolarHBondContact O-N 3.49Å
208	V	99	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.4	-167.5	-175.5	0	0	0	0	110.9	L219 L231 F232 F233 L255 T301	V208-L219 HydrophobicContact CG1-CB 3.99Å; V208-L219 HydrophobicContact CG1-CD1 4.18Å; V208-L219 HydrophobicContact CG1-CD2 4.13Å; V208-L219 HydrophobicContact CG1-CG 4.34Å; V208-L231 PolarHBondContact N-O 3.48Å; V208-F232 HydrophobicContact CB-CD2 4.05Å; V208-F232 HydrophobicContact CG1-CD2 3.98Å; V208-F232 HydrophobicContact CG1-CE2 4.04Å; V208-F233 PolarHBondContact O-N 3.34Å; V208-L255 HydrophobicContact CG1-CD2 4.22Å; V208-L255 HydrophobicContact CG2-CD2 3.89Å; V208-T301 HydrophobicContact CG2-CG2 4.19Å
209	I	98.9	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.			trans	-138.9	110.4	-176.2	-42.7	-169.7	0	0	0	109.7	W181 E196 F233 P235 R300 I302	W181-I209 HydrophobicContact CE3-CG2 4.45Å; W181-I209 HydrophobicContact CZ2-CD1 4.15Å; E196-I209 HydrophobicContact CB-CD1 4.02Å; E196-I209 HydrophobicContact CG-CD1 4.14Å; I209-F233 HydrophobicContact CD1-CB 4.38Å; I209-F233 HydrophobicContact CD1-CD2 4.26Å; I209-F233 HydrophobicContact CG1-CB 4.07Å; I209-F233 HydrophobicContact CG1-CD2 4.33Å; I209-F233 HydrophobicContact CG2-CB 4.5Å; I209-P235 HydrophobicContact CG2-CG 4.14Å; I209-R300 PolarHBondContact N-O 3.09Å; I209-I302 HydrophobicContact CD1-CD1 4.22Å; I209-I302 HydrophobicContact CD1-CG1 3.85Å; I209-I302 HydrophobicContact CG1-CG1 4.04Å
210	P	98.9	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.			trans	-81.2	156	177.4	36.5	-36.4	0	0	0	111.9	Q215 A216 L219 F232 F233 P235	P210-Q215 HydrophobicContact CB-CB 4.06Å; P210-A216 VanDerWaalsContact CB-CA 3.47Å; P210-A216 HydrophobicContact CB-CB 3.8Å; P210-A216 HydrophobicContact CG-CB 3.73Å; P210-L219 HydrophobicContact CB-CD1 4.01Å; P210-F232 HydrophobicContact CB-CZ 4.29Å; P210-F232 HydrophobicContact CG-CE1 4.19Å; P210-F232 HydrophobicContact CG-CE2 4.24Å; P210-F232 HydrophobicContact CG-CZ 3.6Å; P210-F233 WeakPolarHBondContact CD-O 3.2Å; P210-P235 WeakPolarHBondContact O-CD 3.39Å; P210-P235 WeakPolarHBondContact O-CG 3.45Å
211	R	98.6	Very high	98.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-99.2	-13.4	174.1	67.6	167.8	-173.9	-81.9	2.4	115.4	D54 Q215 L238 E259 L261 I276 H277 D298	D54-R211 IonicContact OD1-NE 2.79Å; D54-R211 IonicContact OD1-NH2 3.8Å; D54-R211 IonicContact OD2-CZ 2.76Å; D54-R211 IonicContact OD2-NE 3.82Å; D54-R211 PolarHBondContact OD2-NE 3.35Å; D54-R211 IonicContact OD2-NH2 3.67Å; D54-R211 PolarHBondContact OD2-NH2 3.23Å; R211-Q215 HydrophobicContact CG-CG 4.09Å; R211-L238 WeakPolarHBondContact O-CD1 3.37Å; R211-E259 IonicContact CZ-OE1 2.72Å; R211-E259 IonicContact CZ-OE2 3.65Å; R211-E259 IonicContact NH1-OE1 3.34Å; R211-E259 IonicContact NH1-OE2 3.18Å; R211-E259 PolarHBondContact NH1-OE2 3.34Å; R211-E259 VanDerWaalsContact NH2-CD 3.29Å; R211-E259 IonicContact NH2-OE1 2.86Å; R211-E259 PolarHBondContact NH2-OE1 3.4Å; R211-E259 IonicContact NH2-OE2 3.42Å; R211-E259 PolarHBondContact NH2-OE2 3.4Å; R211-L261 VanDerWaalsContact CZ-CD2 3.4Å; R211-L261 VanDerWaalsContact NH2-CD2 3.29Å; R211-I276 HydrophobicContact CB-CB 4.28Å; R211-I276 HydrophobicContact CB-CG1 4.42Å; R211-H277 PolarHBondContact O-NE2 3.12Å; R211-D298 WeakPolarHBondContact CD-OD2 3.26Å; R211-D298 WeakPolarHBondContact CG-OD2 3.47Å; R211-D298 IonicContact CZ-OD2 3.41Å; R211-D298 IonicContact NE-OD2 2.74Å; R211-D298 IonicContact NH1-OD2 3.93Å; R211-D298 PolarHBondContact NH1-OD2 3.2Å
212	S	98.6	Very high	98.8	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-156.5	162.6	-167.1	72.3	0	0	0	0	112.5	L214 Q215 A216 E244	S212-L214 PolarHBondContact O-N 3.28Å; S212-Q215 PolarHBondContact O-N 2.72Å; S212-Q215 WeakPolarHBondContact OG-CB 3.34Å; S212-Q215 VanDerWaalsContact OG-CG 3.28Å; S212-Q215 WeakPolarHBondContact OG-CG 3.03Å; S212-Q215 PolarHBondContact OG-N 3.21Å; S212-A216 VanDerWaalsContact O-CB 3.23Å; S212-A216 WeakPolarHBondContact O-CB 3.4Å; S212-A216 PolarHBondContact O-N 2.75Å; S212-E244 WeakPolarHBondContact CB-OE1 3.36Å; S212-E244 PolarHBondContact OG-OE1 3.28Å
213	P	98.7	Very high	98.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-54.7	-43.9	177.6	-25.9	31	0	0	0	115.2	L68 S71 A216 K217 A242 E244 V246	L68-P213 HydrophobicContact CB-CG 4.1Å; S71-P213 WeakPolarHBondContact CB-O 3.45Å; S71-P213 WeakPolarHBondContact OG-CA 3.28Å; S71-P213 PolarHBondContact OG-O 3.42Å; P213-A216 PolarHBondContact O-N 2.69Å; P213-K217 PolarHBondContact O-N 3.1Å; P213-K217 VanDerWaalsContact O-N 3.13Å; P213-A242 HydrophobicContact CG-CB 3.97Å; P213-E244 HydrophobicContact CB-CG 3.95Å; P213-E244 WeakPolarHBondContact CD-OE1 3.14Å; P213-E244 HydrophobicContact CG-CG 3.96Å; P213-E244 VanDerWaalsContact N-OE1 3.12Å; P213-V246 HydrophobicContact CB-CG2 3.69Å
214	L	98.1	Very high	98.8	Very high	18 Å²	18	6.7 Å²	6.7	9%	0.094	4%	0.044	C	C	.	.	H	α-helix	trans	-65.2	-44.5	178.4	179.2	151.1	0	0	0	110.5	T57 S212 A216 G218 E244 V246 Y251 I253	T57-L214 HydrophobicContact CG2-CD1 3.81Å; S212-L214 PolarHBondContact O-N 3.28Å; L214-A216 VanDerWaalsContact C-N 3.34Å; L214-G218 PolarHBondContact O-N 2.71Å; L214-E244 HydrophobicContact CB-CG 4.38Å; L214-E244 WeakPolarHBondContact CB-OE1 3.43Å; L214-E244 PolarHBondContact N-OE1 2.85Å; L214-V246 HydrophobicContact CB-CG2 4.38Å; L214-Y251 WeakPolarHBondContact CA-OH 3.15Å; L214-Y251 PolarHBondContact O-OH 2.78Å; L214-I253 HydrophobicContact CD2-CD1 4.24Å
215	Q	98.3	Very high	98.8	Very high	6 Å²	6	8.1 Å²	8.1	3%	0.028	5%	0.052	C	C	.	.	H	α-helix	trans	-63.6	-43.5	175.4	-70.3	-75.3	-35.2	0	0	111.1	P210 R211 S212 K217 G218 L219 E259	P210-Q215 HydrophobicContact CB-CB 4.06Å; R211-Q215 HydrophobicContact CG-CG 4.09Å; S212-Q215 PolarHBondContact O-N 2.72Å; S212-Q215 WeakPolarHBondContact OG-CB 3.34Å; S212-Q215 VanDerWaalsContact OG-CG 3.28Å; S212-Q215 WeakPolarHBondContact OG-CG 3.03Å; S212-Q215 PolarHBondContact OG-N 3.21Å; Q215-K217 PolarHBondContact O-N 2.7Å; Q215-G218 PolarHBondContact O-N 3.46Å; Q215-L219 HydrophobicContact CB-CD1 4.28Å; Q215-L219 VanDerWaalsContact O-CB 3.25Å; Q215-L219 WeakPolarHBondContact O-CB 3.2Å; Q215-L219 WeakPolarHBondContact O-CG 3.3Å; Q215-L219 PolarHBondContact O-N 2.97Å; Q215-E259 PolarHBondContact NE2-OE2 3.21Å
216	A	98.9	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.4	-45.1	-176.6	0	0	0	0	0	112.3	L68 I72 P210 S212 P213 L214 L220 F232	L68-A216 HydrophobicContact CD1-CB 4.18Å; L68-A216 HydrophobicContact CG-CB 3.99Å; I72-A216 HydrophobicContact CD1-CB 4Å; P210-A216 VanDerWaalsContact CB-CA 3.47Å; P210-A216 HydrophobicContact CB-CB 3.8Å; P210-A216 HydrophobicContact CG-CB 3.73Å; S212-A216 VanDerWaalsContact O-CB 3.23Å; S212-A216 WeakPolarHBondContact O-CB 3.4Å; S212-A216 PolarHBondContact O-N 2.75Å; P213-A216 PolarHBondContact O-N 2.69Å; L214-A216 VanDerWaalsContact C-N 3.34Å; A216-L220 WeakPolarHBondContact O-CB 3.24Å; A216-L220 PolarHBondContact O-N 3.12Å; A216-F232 HydrophobicContact CB-CZ 4.44Å; A216-F232 WeakPolarHBondContact O-CZ 3.02Å
217	K	98.8	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.1	-50.7	177.1	169	167.3	178.9	176.3	0	111.8	S74 A75 N78 P213 Q215 L220 L221 V246 P247 V248 D249 Y251	S74-K217 PolarHBondContact OG-NZ 3.22Å; A75-K217 HydrophobicContact CB-CB 4.41Å; A75-K217 HydrophobicContact CB-CG 4.07Å; N78-K217 WeakPolarHBondContact OD1-CE 3.31Å; N78-K217 PolarHBondContact OD1-NZ 2.97Å; P213-K217 PolarHBondContact O-N 3.1Å; P213-K217 VanDerWaalsContact O-N 3.13Å; Q215-K217 PolarHBondContact O-N 2.7Å; K217-L220 PolarHBondContact O-N 2.94Å; K217-L221 HydrophobicContact CG-CD1 3.9Å; K217-L221 WeakPolarHBondContact O-CB 3.17Å; K217-L221 WeakPolarHBondContact O-CG 3.47Å; K217-L221 PolarHBondContact O-N 2.93Å; K217-V246 HydrophobicContact CB-CG1 4.2Å; K217-V246 HydrophobicContact CD-CG1 3.75Å; K217-P247 PolarHBondContact NZ-O 2.79Å; K217-V248 VanDerWaalsContact NZ-C 3.3Å; K217-V248 PolarHBondContact NZ-O 2.83Å; K217-D249 VanDerWaalsContact CE-O 3.25Å; K217-D249 WeakPolarHBondContact CE-O 3.47Å; K217-D249 PolarHBondContact NZ-O 2.89Å; K217-Y251 HydrophobicContact CB-CE1 4.41Å; K217-Y251 HydrophobicContact CD-CD1 4.48Å; K217-Y251 HydrophobicContact CD-CE1 3.66Å; K217-Y251 HydrophobicContact CG-CE1 3.77Å
218	G	98.6	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.9	-42.9	-176.5	0	0	0	0	0	113.2	L214 Q215 S222 I253	L214-G218 PolarHBondContact O-N 2.71Å; Q215-G218 PolarHBondContact O-N 3.46Å; G218-S222 WeakPolarHBondContact O-CB 3.38Å; G218-S222 PolarHBondContact O-N 2.72Å; G218-S222 PolarHBondContact O-OG 2.84Å; G218-I253 PolarHBondContact O-N 3.15Å
219	L	98.9	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70.6	-38.4	177.8	-71.2	168.9	0	0	0	112	V208 P210 Q215 S222 C223 F232 I253 L255 R300	V208-L219 HydrophobicContact CG1-CB 3.99Å; V208-L219 HydrophobicContact CG1-CD1 4.18Å; V208-L219 HydrophobicContact CG1-CD2 4.13Å; V208-L219 HydrophobicContact CG1-CG 4.34Å; P210-L219 HydrophobicContact CB-CD1 4.01Å; Q215-L219 HydrophobicContact CB-CD1 4.28Å; Q215-L219 VanDerWaalsContact O-CB 3.25Å; Q215-L219 WeakPolarHBondContact O-CB 3.2Å; Q215-L219 WeakPolarHBondContact O-CG 3.3Å; Q215-L219 PolarHBondContact O-N 2.97Å; L219-S222 WeakPolarHBondContact O-CB 3.41Å; L219-S222 PolarHBondContact O-N 3.03Å; L219-C223 PolarHBondContact O-N 3.34Å; L219-C223 PolarHBondContact O-SG 2.76Å; L219-F232 HydrophobicContact CB-CE2 3.81Å; L219-I253 HydrophobicContact CD2-CB 3.97Å; L219-I253 HydrophobicContact CD2-CG2 3.6Å; L219-I253 HydrophobicContact CG-CB 4.07Å; L219-I253 HydrophobicContact CG-CG2 3.95Å; L219-L255 HydrophobicContact CD2-CD2 4Å; L219-R300 HydrophobicContact CD1-CB 4.19Å; L219-R300 HydrophobicContact CD1-CG 4.45Å
220	L	98.9	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.4	-45.1	176.3	178	56.7	0	0	0	111.3	I72 A75 L76 T176 A216 K217 S222 C223 I224 F232	I72-L220 HydrophobicContact CD1-CD2 3.76Å; I72-L220 HydrophobicContact CG2-CD2 3.95Å; A75-L220 HydrophobicContact CB-CB 4.33Å; A75-L220 HydrophobicContact CB-CD2 3.85Å; A75-L220 HydrophobicContact CB-CG 4.2Å; L76-L220 HydrophobicContact CD2-CD2 4.27Å; L76-L220 HydrophobicContact CG-CD2 4.4Å; T176-L220 HydrophobicContact CG2-CD1 4.02Å; A216-L220 WeakPolarHBondContact O-CB 3.24Å; A216-L220 PolarHBondContact O-N 3.12Å; K217-L220 PolarHBondContact O-N 2.94Å; L220-S222 PolarHBondContact O-N 2.81Å; L220-C223 WeakPolarHBondContact O-CB 3.33Å; L220-C223 PolarHBondContact O-N 2.8Å; L220-C223 VanDerWaalsContact O-N 3.14Å; L220-I224 HydrophobicContact CD1-CD1 3.96Å; L220-I224 HydrophobicContact CD1-CG1 4.13Å; L220-I224 HydrophobicContact CG-CD1 3.88Å; L220-I224 HydrophobicContact CG-CG1 4.48Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.49Å; L220-I224 PolarHBondContact O-N 2.82Å; L220-F232 HydrophobicContact CB-CD1 4.38Å; L220-F232 HydrophobicContact CB-CD2 4.43Å; L220-F232 HydrophobicContact CB-CE1 3.94Å; L220-F232 HydrophobicContact CB-CE2 4.02Å; L220-F232 HydrophobicContact CB-CZ 3.73Å; L220-F232 HydrophobicContact CD1-CB 4.32Å; L220-F232 HydrophobicContact CD1-CD1 3.89Å; L220-F232 HydrophobicContact CD1-CD2 4.43Å; L220-F232 HydrophobicContact CD1-CE1 4.28Å; L220-F232 HydrophobicContact CD1-CG 3.95Å; L220-F232 HydrophobicContact CD2-CE1 4.45Å; L220-F232 HydrophobicContact CG-CE1 4.45Å
221	L	98.9	Very high	98.7	Very high	15 Å²	15	15.5 Å²	15.5	8%	0.079	9%	0.094	C	C	.	.	H	α-helix	trans	-58.7	-36.3	173.9	-74.3	172	0	0	0	111.6	A75 N78 T79 K217 I224 A225 Y251	A75-L221 HydrophobicContact CB-CD2 4.19Å; A75-L221 HydrophobicContact CB-CG 3.96Å; A75-L221 WeakPolarHBondContact O-CD2 3.47Å; N78-L221 HydrophobicContact CB-CD2 4.3Å; T79-L221 WeakPolarHBondContact OG1-CD2 3.45Å; K217-L221 HydrophobicContact CG-CD1 3.9Å; K217-L221 WeakPolarHBondContact O-CB 3.17Å; K217-L221 WeakPolarHBondContact O-CG 3.47Å; K217-L221 PolarHBondContact O-N 2.93Å; L221-I224 PolarHBondContact O-N 3.11Å; L221-A225 WeakPolarHBondContact O-CB 3.31Å; L221-A225 PolarHBondContact O-N 2.76Å; L221-Y251 WeakPolarHBondContact CD1-O 3.25Å
222	S	98.9	Very high	98.7	Very high	12 Å²	12	15.5 Å²	15.5	8%	0.084	9%	0.094	C	C	.	.	H	α-helix	trans	-70.7	-37.1	176.4	-52.2	0	0	0	0	112.4	G218 L219 L220 A225 D226 T252 I253	G218-S222 WeakPolarHBondContact O-CB 3.38Å; G218-S222 PolarHBondContact O-N 2.72Å; G218-S222 PolarHBondContact O-OG 2.84Å; L219-S222 WeakPolarHBondContact O-CB 3.41Å; L219-S222 PolarHBondContact O-N 3.03Å; L220-S222 PolarHBondContact O-N 2.81Å; S222-A225 PolarHBondContact O-N 2.76Å; S222-D226 WeakPolarHBondContact O-CB 3Å; S222-D226 PolarHBondContact O-N 3.02Å; S222-T252 WeakPolarHBondContact OG-CA 3.29Å; S222-T252 VanDerWaalsContact OG-CB 3.25Å; S222-T252 WeakPolarHBondContact OG-CB 3.46Å; S222-I253 VanDerWaalsContact CB-O 3.31Å; S222-I253 WeakPolarHBondContact CB-O 3.47Å; S222-I253 PolarHBondContact OG-N 2.89Å; S222-I253 VanDerWaalsContact OG-N 3.08Å; S222-I253 PolarHBondContact OG-O 2.71Å
223	C	98.9	Very high	98.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.4	-44.7	172.7	-66.9	0	0	0	0	111.8	T176 L219 L220 A225 D226 C230	T176-C223 HydrophobicContact CG2-CB 4.17Å; T176-C223 PolarHBondContact OG1-O 2.82Å; L219-C223 PolarHBondContact O-N 3.34Å; L219-C223 PolarHBondContact O-SG 2.76Å; L220-C223 WeakPolarHBondContact O-CB 3.33Å; L220-C223 PolarHBondContact O-N 2.8Å; L220-C223 VanDerWaalsContact O-N 3.14Å; C223-A225 VanDerWaalsContact C-N 3.29Å; C223-A225 PolarHBondContact O-N 2.88Å; C223-D226 PolarHBondContact O-N 3.26Å; C223-C230 HydrophobicContact CB-CB 3.7Å
224	I	98.9	Very high	98.8	Very high	12 Å²	12	15.6 Å²	15.6	6%	0.062	9%	0.094	C	C	.	.	H	α-helix	trans	-63.5	-37.9	180	-71.2	170	0	0	0	111.2	L76 T79 T137 I139 T176 L220 L221	L76-I224 HydrophobicContact CD2-CD1 4.29Å; T79-I224 HydrophobicContact CG2-CD1 4.38Å; T79-I224 HydrophobicContact CG2-CG2 3.49Å; T79-I224 VanDerWaalsContact CG2-CG2 3.49Å; T79-I224 WeakPolarHBondContact OG1-CD1 3.35Å; T137-I224 HydrophobicContact CG2-CG2 3.83Å; I139-I224 HydrophobicContact CD1-CD1 3.91Å; I139-I224 HydrophobicContact CD1-CG1 4.3Å; I139-I224 HydrophobicContact CG1-CD1 4.47Å; I139-I224 HydrophobicContact CG1-CG1 4.39Å; T176-I224 HydrophobicContact CG2-CG1 4.38Å; T176-I224 WeakPolarHBondContact OG1-CA 3.23Å; T176-I224 PolarHBondContact OG1-N 2.91Å; L220-I224 HydrophobicContact CD1-CD1 3.96Å; L220-I224 HydrophobicContact CD1-CG1 4.13Å; L220-I224 HydrophobicContact CG-CD1 3.88Å; L220-I224 HydrophobicContact CG-CG1 4.48Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.49Å; L220-I224 PolarHBondContact O-N 2.82Å; L221-I224 PolarHBondContact O-N 3.11Å
225	A	98.6	Very high	98.8	Very high	69 Å²	69	14.7 Å²	14.7	57%	0.57	9%	0.089	S	C	*	.	H	α-helix	trans	-83.7	-11.5	179.2	0	0	0	0	0	114	L221 S222 C223	L221-A225 WeakPolarHBondContact O-CB 3.31Å; L221-A225 PolarHBondContact O-N 2.76Å; S222-A225 PolarHBondContact O-N 2.76Å; C223-A225 VanDerWaalsContact C-N 3.29Å; C223-A225 PolarHBondContact O-N 2.88Å
226	D	98.7	Very high	98.8	Very high	30 Å²	30	14.9 Å²	14.9	16%	0.16	9%	0.09	C	C	.	.	S	Bend	trans	-74.6	137.4	-178.4	-162.6	-99.2	0	0	0	110.6	K206 S222 C223 N228 L255	K206-D226 WeakPolarHBondContact CD-OD1 3.47Å; K206-D226 WeakPolarHBondContact CE-OD1 3.46Å; K206-D226 IonicContact NZ-OD1 3.5Å; K206-D226 PolarHBondContact NZ-OD1 3.11Å; K206-D226 VanDerWaalsContact NZ-OD1 3.1Å; K206-D226 IonicContact NZ-OD2 3.36Å; K206-D226 PolarHBondContact NZ-OD2 3.26Å; S222-D226 WeakPolarHBondContact O-CB 3Å; S222-D226 PolarHBondContact O-N 3.02Å; C223-D226 PolarHBondContact O-N 3.26Å; D226-N228 PolarHBondContact O-N 2.98Å; D226-N228 VanDerWaalsContact OD1-CB 3.23Å; D226-N228 WeakPolarHBondContact OD1-CB 3.38Å; D226-N228 PolarHBondContact OD1-N 3.34Å; D226-N228 VanDerWaalsContact OD1-N 3.15Å; D226-N228 PolarHBondContact OD1-ND2 3.22Å; D226-L255 HydrophobicContact CB-CD1 4.04Å
227	N	98	Very high	98.8	Very high	102 Å²	102	16.3 Å²	16.3	55%	0.545	10%	0.097	S	C	.	.	S	Bend	trans	-82.3	33.9	177.7	-66.5	-59.2	0	0	0	112.2	R163 G173	R163-N227 PolarHBondContact NH2-O 3Å; G173-N227 WeakPolarHBondContact CA-O 3.3Å
228	N	98.8	Very high	98.8	Very high	50 Å²	50	16.3 Å²	16.3	27%	0.267	10%	0.097	S	C	.	.	S	Bend	trans	-139.2	146.9	173.7	-55.9	-83.2	0	0	0	109.5	G173 K206 D226 C230	G173-N228 CarbonylContact O-C 3.56Å; G173-N228 VanDerWaalsContact O-C 3.26Å; G173-N228 PolarHBondContact O-N 3.42Å; G173-N228 VanDerWaalsContact O-O 3.14Å; K206-N228 HydrophobicContact CG-CB 4.41Å; D226-N228 PolarHBondContact O-N 2.98Å; D226-N228 VanDerWaalsContact OD1-CB 3.23Å; D226-N228 WeakPolarHBondContact OD1-CB 3.38Å; D226-N228 PolarHBondContact OD1-N 3.34Å; D226-N228 VanDerWaalsContact OD1-N 3.15Å; D226-N228 PolarHBondContact OD1-ND2 3.22Å; N228-C230 PolarHBondContact O-N 3.47Å; N228-C230 VanDerWaalsContact O-N 3.12Å; N228-C230 PolarHBondContact O-SG 3.39Å
229	P	98.9	Very high	98.8	Very high	10 Å²	10	16.5 Å²	16.5	7%	0.065	10%	0.098	C	C	.	.			trans	-59.1	121	176.9	24.6	-33.3	0	0	0	110.8	A159 L175 G204 I205 K206	A159-P229 HydrophobicContact CB-CB 4.11Å; A159-P229 HydrophobicContact CB-CG 4.28Å; L175-P229 HydrophobicContact CB-CB 4.45Å; L175-P229 HydrophobicContact CD2-CB 4.47Å; L175-P229 WeakPolarHBondContact O-CA 3.2Å; G204-P229 WeakPolarHBondContact O-CG 3.38Å; I205-P229 WeakPolarHBondContact CA-O 3.43Å; I205-P229 HydrophobicContact CG2-CB 4.13Å; I205-P229 HydrophobicContact CG2-CG 3.8Å; K206-P229 PolarHBondContact N-O 2.83Å
230	C	98.9	Very high	98.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.6	-175.7	-72.1	0	0	0	0	111.6	L175 T176 I177 C223 N228	L175-C230 PolarHBondContact O-N 2.78Å; T176-C230 CarbonylContact C-O 3.09Å; T176-C230 WeakPolarHBondContact CA-O 3.45Å; I177-C230 PolarHBondContact N-O 3.45Å; C223-C230 HydrophobicContact CB-CB 3.7Å; N228-C230 PolarHBondContact O-N 3.47Å; N228-C230 VanDerWaalsContact O-N 3.12Å; N228-C230 PolarHBondContact O-SG 3.39Å
231	L	98.9	Very high	98.5	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.5	163.9	-56.2	-171.9	0	0	0	109	I155 I177 F199 I205 K206 V207 V208 F233	I155-L231 HydrophobicContact CD1-CD2 4.25Å; I155-L231 HydrophobicContact CG2-CD1 4.28Å; I155-L231 HydrophobicContact CG2-CD2 4.29Å; I177-L231 HydrophobicContact CB-CD2 3.73Å; I177-L231 HydrophobicContact CD1-CD2 3.71Å; I177-L231 HydrophobicContact CG1-CD2 4.24Å; I177-L231 HydrophobicContact CG2-CD2 4.25Å; I177-L231 CarbonylContact O-C 3.54Å; I177-L231 WeakPolarHBondContact O-CA 3.37Å; F199-L231 HydrophobicContact CB-CD1 3.82Å; F199-L231 HydrophobicContact CD1-CD1 3.53Å; F199-L231 HydrophobicContact CD2-CD1 3.73Å; F199-L231 HydrophobicContact CE1-CD1 3.96Å; F199-L231 HydrophobicContact CE2-CD1 4.14Å; F199-L231 HydrophobicContact CG-CD1 3.39Å; F199-L231 HydrophobicContact CZ-CD1 4.23Å; I205-L231 HydrophobicContact CD1-CD1 4.04Å; I205-L231 HydrophobicContact CD1-CG 4.47Å; K206-L231 PolarHBondContact O-N 2.95Å; V207-L231 WeakPolarHBondContact CA-O 3.44Å; V207-L231 HydrophobicContact CG2-CB 4.32Å; V207-L231 HydrophobicContact CG2-CD1 4.19Å; V207-L231 HydrophobicContact CG2-CG 4.48Å; V208-L231 PolarHBondContact N-O 3.48Å; L231-F233 HydrophobicContact CB-CE2 4.47Å; L231-F233 HydrophobicContact CD1-CZ 4.41Å
232	F	99	Very high	98.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	108.2	179.6	-171.1	-97.1	0	0	0	110.5	I72 T176 I177 R178 A179 V208 P210 A216 L219 L220 E234	I72-F232 HydrophobicContact CD1-CE1 3.63Å; I72-F232 HydrophobicContact CD1-CZ 4.31Å; T176-F232 HydrophobicContact CG2-CB 4.34Å; I177-F232 PolarHBondContact O-N 2.83Å; R178-F232 VanDerWaalsContact CA-O 3.25Å; R178-F232 WeakPolarHBondContact CA-O 3.28Å; R178-F232 HydrophobicContact CB-CB 4.3Å; R178-F232 HydrophobicContact CB-CD1 4.43Å; A179-F232 PolarHBondContact N-O 2.93Å; V208-F232 HydrophobicContact CB-CD2 4.05Å; V208-F232 HydrophobicContact CG1-CD2 3.98Å; V208-F232 HydrophobicContact CG1-CE2 4.04Å; P210-F232 HydrophobicContact CB-CZ 4.29Å; P210-F232 HydrophobicContact CG-CE1 4.19Å; P210-F232 HydrophobicContact CG-CE2 4.24Å; P210-F232 HydrophobicContact CG-CZ 3.6Å; A216-F232 HydrophobicContact CB-CZ 4.44Å; A216-F232 WeakPolarHBondContact O-CZ 3.02Å; L219-F232 HydrophobicContact CB-CE2 3.81Å; L220-F232 HydrophobicContact CB-CD1 4.38Å; L220-F232 HydrophobicContact CB-CD2 4.43Å; L220-F232 HydrophobicContact CB-CE1 3.94Å; L220-F232 HydrophobicContact CB-CE2 4.02Å; L220-F232 HydrophobicContact CB-CZ 3.73Å; L220-F232 HydrophobicContact CD1-CB 4.32Å; L220-F232 HydrophobicContact CD1-CD1 3.89Å; L220-F232 HydrophobicContact CD1-CD2 4.43Å; L220-F232 HydrophobicContact CD1-CE1 4.28Å; L220-F232 HydrophobicContact CD1-CG 3.95Å; L220-F232 HydrophobicContact CD2-CE1 4.45Å; L220-F232 HydrophobicContact CG-CE1 4.45Å; F232-E234 HydrophobicContact CD1-CG 3.72Å; F232-E234 HydrophobicContact CE1-CG 3.62Å
233	F	99	Very high	98.2	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.9	-176.7	-74.4	-51.7	0	0	0	111.1	A145 I148 A179 W181 P195 E196 F199 V207 V208 I209 P210 L231 P235	A145-F233 HydrophobicContact CB-CD1 3.9Å; A145-F233 HydrophobicContact CB-CE1 3.73Å; I148-F233 HydrophobicContact CD1-CE1 4.15Å; I148-F233 HydrophobicContact CD1-CZ 4.28Å; A179-F233 HydrophobicContact CB-CD1 4.08Å; A179-F233 HydrophobicContact CB-CE1 4.15Å; A179-F233 WeakPolarHBondContact O-CA 3.23Å; W181-F233 HydrophobicContact CB-CB 3.59Å; W181-F233 HydrophobicContact CB-CD1 4.06Å; W181-F233 HydrophobicContact CB-CG 4.09Å; W181-F233 AromaticContact CD1-CD1 3.73Å; W181-F233 AromaticContact CD1-CD2 3.86Å; W181-F233 AromaticContact CD1-CG 3.44Å; W181-F233 VanDerWaalsContact CD1-CG 3.44Å; W181-F233 HydrophobicContact CD2-CB 4.5Å; W181-F233 HydrophobicContact CG-CB 3.64Å; W181-F233 HydrophobicContact CG-CD1 4.26Å; W181-F233 AromaticContact CG-CG 3.99Å; W181-F233 HydrophobicContact CG-CG 3.99Å; P195-F233 HydrophobicContact CG-CE1 4.06Å; P195-F233 HydrophobicContact CG-CE2 4.47Å; P195-F233 HydrophobicContact CG-CZ 3.82Å; E196-F233 HydrophobicContact CB-CD2 4.45Å; E196-F233 HydrophobicContact CB-CE2 4.3Å; F199-F233 HydrophobicContact CD2-CE2 4.4Å; F199-F233 HydrophobicContact CD2-CZ 4.08Å; F199-F233 HydrophobicContact CE2-CZ 4.11Å; V207-F233 HydrophobicContact CG1-CD2 3.96Å; V207-F233 HydrophobicContact CG1-CE2 3.83Å; V208-F233 PolarHBondContact O-N 3.34Å; I209-F233 HydrophobicContact CD1-CB 4.38Å; I209-F233 HydrophobicContact CD1-CD2 4.26Å; I209-F233 HydrophobicContact CG1-CB 4.07Å; I209-F233 HydrophobicContact CG1-CD2 4.33Å; I209-F233 HydrophobicContact CG2-CB 4.5Å; P210-F233 WeakPolarHBondContact CD-O 3.2Å; L231-F233 HydrophobicContact CB-CE2 4.47Å; L231-F233 HydrophobicContact CD1-CZ 4.41Å; F233-P235 WeakPolarHBondContact O-CD 3.45Å
234	E	98.9	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	111.7	-174.3	-67.6	170.8	-160.2	0	0	110.3	I72 R178 A179 P180 W181 F232 K236 Y239	I72-E234 HydrophobicContact CD1-CG 3.96Å; I72-E234 HydrophobicContact CG1-CG 4.36Å; R178-E234 IonicContact CZ-OE1 3.42Å; R178-E234 IonicContact NE-OE1 2.89Å; R178-E234 PolarHBondContact NE-OE1 2.9Å; R178-E234 IonicContact NH2-OE1 2.66Å; R178-E234 PolarHBondContact NH2-OE1 2.93Å; R178-E234 IonicContact NH2-OE2 3.34Å; R178-E234 PolarHBondContact NH2-OE2 3.29Å; A179-E234 PolarHBondContact O-N 2.67Å; P180-E234 CarbonylContact C-O 3.55Å; P180-E234 WeakPolarHBondContact CA-O 3.21Å; W181-E234 PolarHBondContact N-O 2.96Å; F232-E234 HydrophobicContact CD1-CG 3.72Å; F232-E234 HydrophobicContact CE1-CG 3.62Å; E234-K236 PolarHBondContact O-N 3.48Å; E234-Y239 HydrophobicContact CB-CE1 3.92Å; E234-Y239 VanDerWaalsContact CB-OH 3.24Å; E234-Y239 WeakPolarHBondContact CB-OH 3.39Å; E234-Y239 VanDerWaalsContact OE2-CE1 3.28Å; E234-Y239 WeakPolarHBondContact OE2-CE1 3.27Å; E234-Y239 VanDerWaalsContact OE2-CZ 3.3Å; E234-Y239 PolarHBondContact OE2-OH 2.86Å
235	P	98.8	Very high	98.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	104.5	-178.1	-22.9	33.8	0	0	0	111.7	W181 I209 P210 F233 I237 L238	W181-P235 HydrophobicContact CE3-CB 4.25Å; W181-P235 HydrophobicContact CE3-CG 4.25Å; W181-P235 WeakPolarHBondContact O-CA 3.36Å; I209-P235 HydrophobicContact CG2-CG 4.14Å; P210-P235 WeakPolarHBondContact O-CD 3.39Å; P210-P235 WeakPolarHBondContact O-CG 3.45Å; F233-P235 WeakPolarHBondContact O-CD 3.45Å; P235-I237 VanDerWaalsContact C-N 3.26Å; P235-I237 PolarHBondContact O-N 3.42Å; P235-L238 HydrophobicContact CB-CB 4.48Å; P235-L238 HydrophobicContact CB-CD1 3.9Å; P235-L238 HydrophobicContact CB-CG 4.04Å; P235-L238 HydrophobicContact CG-CD1 4.29Å; P235-L238 WeakPolarHBondContact O-CB 3.47Å; P235-L238 PolarHBondContact O-N 3.45Å
236	K	98.8	Very high	98.1	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.039	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.9	-163.6	70.6	-175.5	73.3	100.7	0	113.4	F144 D146 P180 W181 G182 V184 H191 E234 L238 Y239	F144-K236 HydrophobicContact CD1-CD 4.3Å; F144-K236 HydrophobicContact CE1-CD 4.09Å; D146-K236 IonicContact OD2-NZ 3.55Å; P180-K236 HydrophobicContact CB-CB 3.98Å; P180-K236 HydrophobicContact CB-CD 4.49Å; P180-K236 WeakPolarHBondContact O-CE 3.4Å; W181-K236 PolarHBondContact O-N 3.48Å; G182-K236 PolarHBondContact O-NZ 3.33Å; V184-K236 HydrophobicContact CB-CD 4.22Å; V184-K236 HydrophobicContact CB-CG 4.12Å; V184-K236 HydrophobicContact CG2-CD 4.47Å; V184-K236 HydrophobicContact CG2-CG 4.14Å; H191-K236 PolarHBondContact O-NZ 3.1Å; E234-K236 PolarHBondContact O-N 3.48Å; K236-L238 PolarHBondContact O-N 3.47Å; K236-Y239 VanDerWaalsContact CA-CD2 3.47Å; K236-Y239 HydrophobicContact CB-CD2 3.83Å; K236-Y239 HydrophobicContact CB-CE2 3.66Å; K236-Y239 WeakPolarHBondContact O-CB 3.33Å; K236-Y239 VanDerWaalsContact O-CD2 3.24Å; K236-Y239 WeakPolarHBondContact O-CD2 3.5Å; K236-Y239 PolarHBondContact O-N 3.18Å
237	I	98.4	Very high	98	Very high	31 Å²	31	26.1 Å²	26.1	16%	0.159	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.7	174.4	-158.4	169.2	0	0	0	112.3	F49 C183 P235 A241 T274	F49-I237 HydrophobicContact CD1-CD1 4.35Å; F49-I237 HydrophobicContact CE1-CD1 3.68Å; F49-I237 HydrophobicContact CE1-CG1 3.87Å; F49-I237 HydrophobicContact CE1-CG2 4.05Å; F49-I237 HydrophobicContact CZ-CG1 4.4Å; F49-I237 HydrophobicContact CZ-CG2 4.3Å; C183-I237 WeakPolarHBondContact O-CB 3.45Å; P235-I237 VanDerWaalsContact C-N 3.26Å; P235-I237 PolarHBondContact O-N 3.42Å; I237-A241 VanDerWaalsContact O-CB 3.3Å; I237-A241 WeakPolarHBondContact O-CB 3.36Å; I237-T274 HydrophobicContact CG2-CG2 3.84Å; I237-T274 WeakPolarHBondContact CG2-OG1 3.47Å
238	L	98.4	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-85.7	-16.4	179.8	-59.9	-175.3	0	0	0	113.5	F49 L68 R211 P235 K236 R240 A241 A242 T274	F49-L238 HydrophobicContact CD2-CD2 4.25Å; F49-L238 HydrophobicContact CE1-CD2 4.48Å; F49-L238 HydrophobicContact CE2-CD2 3.31Å; F49-L238 HydrophobicContact CZ-CD2 3.47Å; F49-L238 VanDerWaalsContact CZ-CD2 3.47Å; L68-L238 HydrophobicContact CB-CB 4.47Å; L68-L238 HydrophobicContact CD1-CB 3.88Å; L68-L238 HydrophobicContact CD1-CD1 4.29Å; R211-L238 WeakPolarHBondContact O-CD1 3.37Å; P235-L238 HydrophobicContact CB-CB 4.48Å; P235-L238 HydrophobicContact CB-CD1 3.9Å; P235-L238 HydrophobicContact CB-CG 4.04Å; P235-L238 HydrophobicContact CG-CD1 4.29Å; P235-L238 WeakPolarHBondContact O-CB 3.47Å; P235-L238 PolarHBondContact O-N 3.45Å; K236-L238 PolarHBondContact O-N 3.47Å; L238-R240 PolarHBondContact O-N 3.28Å; L238-A241 PolarHBondContact O-N 3Å; L238-A242 HydrophobicContact CB-CB 4.21Å; L238-A242 HydrophobicContact CD2-CB 4.48Å; L238-A242 PolarHBondContact O-N 2.93Å; L238-A242 VanDerWaalsContact O-N 3.1Å; L238-T274 HydrophobicContact CD2-CG2 4.3Å
239	Y	98.6	Very high	97.9	Very high	4 Å²	4	26 Å²	26	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-46.4	-43.3	-175.5	-81.4	-43.3	0	0	0	113.6	N67 L68 F69 F99 P180 E234 K236	N67-Y239 VanDerWaalsContact CB-O 3.31Å; N67-Y239 WeakPolarHBondContact CB-O 3.25Å; N67-Y239 PolarHBondContact OD1-O 2.65Å; L68-Y239 HydrophobicContact CD2-CD1 3.44Å; L68-Y239 VanDerWaalsContact CD2-CD1 3.44Å; L68-Y239 HydrophobicContact CD2-CE1 3.58Å; L68-Y239 PolarHBondContact N-O 2.85Å; F69-Y239 HydrophobicContact CB-CD1 3.58Å; F69-Y239 HydrophobicContact CB-CE1 4.26Å; F69-Y239 HydrophobicContact CB-CG 4.13Å; F69-Y239 VanDerWaalsContact CD1-O 3.28Å; F69-Y239 WeakPolarHBondContact CD1-O 3.48Å; F69-Y239 PolarHBondContact N-O 2.81Å; F99-Y239 HydrophobicContact CB-CD2 4Å; F99-Y239 HydrophobicContact CB-CE2 3.73Å; F99-Y239 AromaticContact CD1-CD2 3.51Å; F99-Y239 HydrophobicContact CD1-CD2 3.51Å; F99-Y239 AromaticContact CD1-CE2 3.64Å; F99-Y239 HydrophobicContact CD1-CE2 3.64Å; F99-Y239 AromaticContact CD2-CE2 3.89Å; F99-Y239 HydrophobicContact CD2-CE2 3.89Å; F99-Y239 HydrophobicContact CE1-CD2 4.13Å; F99-Y239 HydrophobicContact CE1-CE2 4.22Å; F99-Y239 HydrophobicContact CE2-CE2 4.44Å; F99-Y239 AromaticContact CG-CD2 3.78Å; F99-Y239 HydrophobicContact CG-CD2 3.78Å; F99-Y239 AromaticContact CG-CE2 3.46Å; F99-Y239 HydrophobicContact CG-CE2 3.46Å; F99-Y239 VanDerWaalsContact CG-CE2 3.46Å; P180-Y239 HydrophobicContact CB-CE2 4.07Å; P180-Y239 HydrophobicContact CG-CE2 4.27Å; P180-Y239 WeakPolarHBondContact CG-OH 3.45Å; E234-Y239 HydrophobicContact CB-CE1 3.92Å; E234-Y239 VanDerWaalsContact CB-OH 3.24Å; E234-Y239 WeakPolarHBondContact CB-OH 3.39Å; E234-Y239 VanDerWaalsContact OE2-CE1 3.28Å; E234-Y239 WeakPolarHBondContact OE2-CE1 3.27Å; E234-Y239 VanDerWaalsContact OE2-CZ 3.3Å; E234-Y239 PolarHBondContact OE2-OH 2.86Å; K236-Y239 VanDerWaalsContact CA-CD2 3.47Å; K236-Y239 HydrophobicContact CB-CD2 3.83Å; K236-Y239 HydrophobicContact CB-CE2 3.66Å; K236-Y239 WeakPolarHBondContact O-CB 3.33Å; K236-Y239 VanDerWaalsContact O-CD2 3.24Å; K236-Y239 WeakPolarHBondContact O-CD2 3.5Å; K236-Y239 PolarHBondContact O-N 3.18Å
240	R	97.8	Very high	97.8	Very high	151 Å²	151	29 Å²	29	57%	0.57	16%	0.158	S	C	*	.	H	α-helix	trans	-113.1	-16.5	180	-62.5	-179.1	-179.5	-84.4	-4.6	113.7	F69 L238	F69-R240 HydrophobicContact CD1-CG 4.17Å; F69-R240 HydrophobicContact CE1-CG 4.11Å; L238-R240 PolarHBondContact O-N 3.28Å
241	A	94.2	Very high	97.8	Very high	56 Å²	56	29.4 Å²	29.4	46%	0.463	16%	0.16	S	C	.	.	H	α-helix	trans	-84.4	-33.8	-174.4	0	0	0	0	0	112.7	F49 I237 L238	F49-A241 HydrophobicContact CZ-CB 4.16Å; I237-A241 VanDerWaalsContact O-CB 3.3Å; I237-A241 WeakPolarHBondContact O-CB 3.36Å; L238-A241 PolarHBondContact O-N 3Å
242	A	94.8	Very high	97.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.			trans	-90.9	130.6	178.7	0	0	0	0	0	110	F51 N67 P213 L238	F51-A242 HydrophobicContact CD1-CB 3.98Å; F51-A242 HydrophobicContact CD2-CB 3.55Å; F51-A242 HydrophobicContact CE1-CB 3.9Å; F51-A242 HydrophobicContact CE2-CB 3.51Å; F51-A242 HydrophobicContact CG-CB 3.81Å; F51-A242 HydrophobicContact CZ-CB 3.69Å; N67-A242 WeakPolarHBondContact CA-O 3.48Å; N67-A242 WeakPolarHBondContact CB-O 3.38Å; P213-A242 HydrophobicContact CG-CB 3.97Å; L238-A242 HydrophobicContact CB-CB 4.21Å; L238-A242 HydrophobicContact CD2-CB 4.48Å; L238-A242 PolarHBondContact O-N 2.93Å; L238-A242 VanDerWaalsContact O-N 3.1Å
243	V	97.2	Very high	97.7	Very high	72 Å²	72	34.1 Å²	34.1	44%	0.436	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	125	172.8	-177.2	0	0	0	0	108.4	K65 M66 N67	K65-V243 HydrophobicContact CB-CG1 4.27Å; M66-V243 WeakPolarHBondContact O-CA 3.45Å; N67-V243 HydrophobicContact CB-CG2 4.05Å
244	E	97.3	Very high	97.7	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	177.9	176.7	70.6	-171	167.3	0	0	111.7	F51 P53 D54 K65 M66 S212 P213 L214 V246	F51-E244 HydrophobicContact CE1-CB 4.49Å; F51-E244 HydrophobicContact CZ-CB 4.49Å; P53-E244 HydrophobicContact CB-CB 3.68Å; D54-E244 PolarHBondContact N-OE2 2.83Å; K65-E244 WeakPolarHBondContact CA-O 3.18Å; M66-E244 PolarHBondContact N-O 2.75Å; M66-E244 PolarHBondContact O-N 3.41Å; S212-E244 WeakPolarHBondContact CB-OE1 3.36Å; S212-E244 PolarHBondContact OG-OE1 3.28Å; P213-E244 HydrophobicContact CB-CG 3.95Å; P213-E244 WeakPolarHBondContact CD-OE1 3.14Å; P213-E244 HydrophobicContact CG-CG 3.96Å; P213-E244 VanDerWaalsContact N-OE1 3.12Å; L214-E244 HydrophobicContact CB-CG 4.38Å; L214-E244 WeakPolarHBondContact CB-OE1 3.43Å; L214-E244 PolarHBondContact N-OE1 2.85Å; E244-V246 HydrophobicContact CG-CG2 4.24Å
245	Q	97.7	Very high	97.7	Very high	53 Å²	53	38.9 Å²	38.9	25%	0.248	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.9	175.6	-66.5	-65	-1.5	0	0	109.8	P56 T63	P56-Q245 HydrophobicContact CB-CB 4.13Å; P56-Q245 HydrophobicContact CB-CG 4.15Å; P56-Q245 HydrophobicContact CG-CB 4.44Å; P56-Q245 HydrophobicContact CG-CG 4.08Å; T63-Q245 HydrophobicContact CG2-CB 4.45Å; T63-Q245 PolarHBondContact OG1-OE1 3.46Å
246	V	98.1	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	129	-180	-178.6	0	0	0	0	108.6	T63 Q64 M66 P213 L214 K217 E244 Y251	T63-V246 CarbonylContact C-O 3.5Å; T63-V246 VanDerWaalsContact CA-O 3.3Å; T63-V246 WeakPolarHBondContact CA-O 3.36Å; Q64-V246 PolarHBondContact N-O 3.18Å; Q64-V246 PolarHBondContact O-N 2.8Å; M66-V246 HydrophobicContact CB-CB 4.14Å; M66-V246 HydrophobicContact CB-CG2 3.9Å; M66-V246 HydrophobicContact CG-CB 4.12Å; M66-V246 HydrophobicContact CG-CG2 4.44Å; M66-V246 HydrophobicContact SD-CB 3.95Å; M66-V246 HydrophobicContact SD-CG1 4.03Å; P213-V246 HydrophobicContact CB-CG2 3.69Å; L214-V246 HydrophobicContact CB-CG2 4.38Å; K217-V246 HydrophobicContact CB-CG1 4.2Å; K217-V246 HydrophobicContact CD-CG1 3.75Å; E244-V246 HydrophobicContact CG-CG2 4.24Å; V246-Y251 HydrophobicContact CG1-CE1 4.48Å
247	P	97.8	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	138.4	174.6	-24.7	32.1	0	0	0	112.2	T57 Y60 D62 T63 K217 Y251	T57-P247 HydrophobicContact CG2-CG 4.05Å; Y60-P247 HydrophobicContact CD2-CG 4.16Å; Y60-P247 HydrophobicContact CG-CG 4.28Å; D62-P247 CarbonylContact O-C 3.55Å; D62-P247 WeakPolarHBondContact O-CA 3.14Å; T63-P247 HydrophobicContact CG2-CG 4.29Å; K217-P247 PolarHBondContact NZ-O 2.79Å; P247-Y251 HydrophobicContact CB-CD1 3.64Å; P247-Y251 HydrophobicContact CB-CE1 3.59Å; P247-Y251 HydrophobicContact CG-CD1 3.76Å; P247-Y251 HydrophobicContact CG-CE1 3.5Å; P247-Y251 VanDerWaalsContact CG-CE1 3.5Å
248	V	97.1	Very high	97.7	Very high	45 Å²	45	42.9 Å²	42.9	27%	0.273	24%	0.24	S	C	.	.	S	Bend	trans	-74.2	-40.8	179.6	177	0	0	0	0	111	D62 Q64 N78 K217	D62-V248 PolarHBondContact O-N 3.42Å; Q64-V248 HydrophobicContact CB-CG2 4.25Å; Q64-V248 HydrophobicContact CG-CG2 3.58Å; N78-V248 PolarHBondContact OD1-O 3.15Å; K217-V248 VanDerWaalsContact NZ-C 3.3Å; K217-V248 PolarHBondContact NZ-O 2.83Å
249	D	97.1	Very high	97.7	Very high	104 Å²	104	45.4 Å²	45.4	56%	0.556	25%	0.252	S	S	*	.	S	Bend	trans	-76.6	169.7	177.8	-68.8	-28.9	0	0	0	112	K217	K217-D249 VanDerWaalsContact CE-O 3.25Å; K217-D249 WeakPolarHBondContact CE-O 3.47Å; K217-D249 PolarHBondContact NZ-O 2.89Å
250	S	97.3	Very high	97.7	Very high	73 Å²	73	47.9 Å²	47.9	51%	0.51	27%	0.268	S	S	.	.			trans	-72.3	136.1	179.5	-56.8	0	0	0	0	111	N78	N78-S250 VanDerWaalsContact CB-OG 3.29Å; N78-S250 WeakPolarHBondContact CB-OG 3.42Å; N78-S250 PolarHBondContact OD1-N 3.38Å; N78-S250 PolarHBondContact OD1-OG 3.02Å
251	Y	98	Very high	97.7	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.039	25%	0.251	C	S	.	.			trans	-145.6	161.4	168.7	63.9	-81.6	0	0	0	108.5	Y60 L214 K217 L221 V246 P247 I253	Y60-Y251 HydrophobicContact CD1-CG 4.29Å; Y60-Y251 HydrophobicContact CD2-CD2 4.39Å; Y60-Y251 HydrophobicContact CD2-CG 4.36Å; Y60-Y251 HydrophobicContact CE2-CD2 4.49Å; Y60-Y251 HydrophobicContact CG-CG 4.11Å; L214-Y251 WeakPolarHBondContact CA-OH 3.15Å; L214-Y251 PolarHBondContact O-OH 2.78Å; K217-Y251 HydrophobicContact CB-CE1 4.41Å; K217-Y251 HydrophobicContact CD-CD1 4.48Å; K217-Y251 HydrophobicContact CD-CE1 3.66Å; K217-Y251 HydrophobicContact CG-CE1 3.77Å; L221-Y251 WeakPolarHBondContact CD1-O 3.25Å; V246-Y251 HydrophobicContact CG1-CE1 4.48Å; P247-Y251 HydrophobicContact CB-CD1 3.64Å; P247-Y251 HydrophobicContact CB-CE1 3.59Å; P247-Y251 HydrophobicContact CG-CD1 3.76Å; P247-Y251 HydrophobicContact CG-CE1 3.5Å; P247-Y251 VanDerWaalsContact CG-CE1 3.5Å; Y251-I253 HydrophobicContact CD2-CG1 4.42Å; Y251-I253 HydrophobicContact CE2-CD1 4.16Å; Y251-I253 HydrophobicContact CE2-CG1 4.3Å
252	T	98.1	Very high	97.9	Very high	88 Å²	88	43 Å²	43	54%	0.54	24%	0.243	S	C	.	.			trans	-120.4	151.9	-179.3	50.1	0	0	0	0	110	S222	S222-T252 WeakPolarHBondContact OG-CA 3.29Å; S222-T252 VanDerWaalsContact OG-CB 3.25Å; S222-T252 WeakPolarHBondContact OG-CB 3.46Å
253	I	98.4	Very high	98.1	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.067	28%	0.275	C	S	.	.			trans	-122.8	126	170.4	-69.3	171.8	0	0	0	105.5	L214 G218 L219 S222 Y251 L255	L214-I253 HydrophobicContact CD2-CD1 4.24Å; G218-I253 PolarHBondContact O-N 3.15Å; L219-I253 HydrophobicContact CD2-CB 3.97Å; L219-I253 HydrophobicContact CD2-CG2 3.6Å; L219-I253 HydrophobicContact CG-CB 4.07Å; L219-I253 HydrophobicContact CG-CG2 3.95Å; S222-I253 VanDerWaalsContact CB-O 3.31Å; S222-I253 WeakPolarHBondContact CB-O 3.47Å; S222-I253 PolarHBondContact OG-N 2.89Å; S222-I253 VanDerWaalsContact OG-N 3.08Å; S222-I253 PolarHBondContact OG-O 2.71Å; Y251-I253 HydrophobicContact CD2-CG1 4.42Å; Y251-I253 HydrophobicContact CE2-CD1 4.16Å; Y251-I253 HydrophobicContact CE2-CG1 4.3Å; I253-L255 PolarHBondContact O-N 3.25Å
254	P	98.6	Very high	98.1	Very high	77 Å²	77	46.8 Å²	46.8	50%	0.5	26%	0.258	S	S	.	.			trans	-60.7	133.8	-172.4	24.7	-34.3	0	0	0	111.6	Q257	P254-Q257 HydrophobicContact CB-CB 4.29Å; P254-Q257 HydrophobicContact CB-CG 3.84Å; P254-Q257 HydrophobicContact CG-CB 4.02Å; P254-Q257 HydrophobicContact CG-CG 3.9Å
255	L	98.8	Very high	98.2	Very high	23 Å²	23	49.6 Å²	49.6	12%	0.12	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	158.7	168.8	-53.5	-176.3	0	0	0	109.6	K206 V208 L219 D226 I253 Q257	K206-L255 HydrophobicContact CD-CD1 3.87Å; V208-L255 HydrophobicContact CG1-CD2 4.22Å; V208-L255 HydrophobicContact CG2-CD2 3.89Å; L219-L255 HydrophobicContact CD2-CD2 4Å; D226-L255 HydrophobicContact CB-CD1 4.04Å; I253-L255 PolarHBondContact O-N 3.25Å; L255-Q257 PolarHBondContact O-N 3.36Å
256	S	98.8	Very high	98.3	Very high	28 Å²	28	49.7 Å²	49.7	20%	0.196	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	31.5	-179.4	-57.3	0	0	0	0	113.6	T301 P304	S256-T301 PolarHBondContact N-OG1 3.42Å; S256-P304 WeakPolarHBondContact CA-O 3.32Å; S256-P304 WeakPolarHBondContact CB-O 3.48Å; S256-P304 WeakPolarHBondContact OG-CD 3.28Å; S256-P304 PolarHBondContact OG-O 3.03Å
257	Q	98.8	Very high	98.3	Very high	87 Å²	87	49.7 Å²	49.7	41%	0.407	28%	0.28	S	S	.	.			trans	-129.4	125.2	173.5	-70.2	-68	-76	0	0	108	P254 L255 R300 D306	P254-Q257 HydrophobicContact CB-CB 4.29Å; P254-Q257 HydrophobicContact CB-CG 3.84Å; P254-Q257 HydrophobicContact CG-CB 4.02Å; P254-Q257 HydrophobicContact CG-CG 3.9Å; L255-Q257 PolarHBondContact O-N 3.36Å; Q257-R300 PolarHBondContact O-NE 3.21Å; Q257-R300 PolarHBondContact O-NH2 2.91Å; Q257-D306 WeakPolarHBondContact CA-OD2 3.29Å
258	A	98.8	Very high	98.4	Very high	9 Å²	9	49.7 Å²	49.7	7%	0.074	28%	0.28	C	S	.	.			trans	-79.6	171	169.3	0	0	0	0	0	110.2	I297 D298 L299 R300 D306 T309	A258-I297 HydrophobicContact CB-CG2 3.76Å; A258-D298 CarbonylContact C-O 3.56Å; A258-D298 VanDerWaalsContact CA-O 3.27Å; A258-D298 WeakPolarHBondContact CA-O 3.42Å; A258-D298 WeakPolarHBondContact CB-O 3.25Å; A258-L299 HydrophobicContact CB-CD1 4.41Å; A258-R300 PolarHBondContact O-NH2 2.83Å; A258-D306 HydrophobicContact CB-CB 3.9Å; A258-D306 VanDerWaalsContact N-CB 3.35Å; A258-D306 PolarHBondContact N-OD2 2.67Å; A258-T309 HydrophobicContact CB-CG2 3.91Å
259	E	98.7	Very high	98.4	Very high	53 Å²	53	47.5 Å²	47.5	25%	0.248	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	122.3	176.8	-167.9	-176.7	158.3	0	0	109.7	R211 Q215 L261 I297 D298 R300	R211-E259 IonicContact CZ-OE1 2.72Å; R211-E259 IonicContact CZ-OE2 3.65Å; R211-E259 IonicContact NH1-OE1 3.34Å; R211-E259 IonicContact NH1-OE2 3.18Å; R211-E259 PolarHBondContact NH1-OE2 3.34Å; R211-E259 VanDerWaalsContact NH2-CD 3.29Å; R211-E259 IonicContact NH2-OE1 2.86Å; R211-E259 PolarHBondContact NH2-OE1 3.4Å; R211-E259 IonicContact NH2-OE2 3.42Å; R211-E259 PolarHBondContact NH2-OE2 3.4Å; Q215-E259 PolarHBondContact NE2-OE2 3.21Å; E259-L261 HydrophobicContact CB-CD2 4.15Å; E259-L261 VanDerWaalsContact CD-CD2 3.44Å; E259-L261 HydrophobicContact CG-CD2 3.68Å; E259-L261 PolarHBondContact O-N 2.89Å; E259-L261 VanDerWaalsContact OE1-CD2 3.31Å; E259-L261 WeakPolarHBondContact OE1-CD2 3.41Å; E259-I297 WeakPolarHBondContact O-CA 3.46Å; E259-D298 PolarHBondContact N-O 2.93Å; E259-D298 PolarHBondContact O-N 3.45Å; E259-R300 IonicContact OE2-NH1 2.71Å; E259-R300 PolarHBondContact OE2-NH1 3.25Å
260	V	98.8	Very high	98.5	Very high	57 Å²	57	42.6 Å²	42.6	35%	0.345	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	106.6	171.1	-175.7	0	0	0	0	107.9	E295 I297 T309	V260-E295 HydrophobicContact CG1-CG 3.96Å; V260-I297 HydrophobicContact CG2-CD1 4.39Å; V260-I297 HydrophobicContact CG2-CG1 4.21Å; V260-T309 HydrophobicContact CG2-CG2 3.96Å
261	L	97.9	Very high	98.6	Very high	41 Å²	41	39.1 Å²	39.1	22%	0.215	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	-25.6	-175.5	-57.4	-177.6	0	0	0	113.1	R211 E259 I276 V296 D298	R211-L261 VanDerWaalsContact CZ-CD2 3.4Å; R211-L261 VanDerWaalsContact NH2-CD2 3.29Å; E259-L261 HydrophobicContact CB-CD2 4.15Å; E259-L261 VanDerWaalsContact CD-CD2 3.44Å; E259-L261 HydrophobicContact CG-CD2 3.68Å; E259-L261 PolarHBondContact O-N 2.89Å; E259-L261 VanDerWaalsContact OE1-CD2 3.31Å; E259-L261 WeakPolarHBondContact OE1-CD2 3.41Å; L261-I276 HydrophobicContact CD1-CG2 3.44Å; L261-I276 VanDerWaalsContact CD1-CG2 3.44Å; L261-V296 PolarHBondContact N-O 2.94Å; L261-D298 HydrophobicContact CD1-CB 3.96Å; L261-D298 HydrophobicContact CG-CB 4.3Å
262	Q	98.1	Very high	98.7	Very high	64 Å²	64	38.7 Å²	38.7	30%	0.299	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	124.3	178.9	-177.8	-178.3	-61.8	0	0	107.1	C294 E295 V296	Q262-C294 PolarHBondContact NE2-O 3.26Å; Q262-E295 CarbonylContact O-C 3.21Å; Q262-E295 VanDerWaalsContact O-CA 3.25Å; Q262-E295 WeakPolarHBondContact O-CA 3.28Å; Q262-V296 HydrophobicContact CB-CB 4.08Å; Q262-V296 HydrophobicContact CB-CG2 4.12Å; Q262-V296 PolarHBondContact O-N 3.43Å
263	E	98.6	Very high	98.7	Very high	143 Å²	143	34.5 Å²	34.5	67%	0.668	19%	0.189	S	C	*	.			trans	-70.9	144.8	172.3	-76.6	-95	176.2	0	0	110.5	E295 K316	E263-E295 VanDerWaalsContact CA-OE2 3.31Å; E263-E295 WeakPolarHBondContact CA-OE2 3.47Å; E263-K316 IonicContact OE2-NZ 3.89Å; E263-K316 PolarHBondContact OE2-NZ 3.38Å
264	G	98.6	Very high	98.7	Very high	8 Å²	8	33.9 Å²	33.9	8%	0.082	19%	0.186	C	C	.	.			trans	-156.3	169.2	172.7	0	0	0	0	0	113.6	S293 E295 K316	G264-S293 VanDerWaalsContact CA-OG 3.29Å; G264-S293 WeakPolarHBondContact CA-OG 3.25Å; G264-E295 PolarHBondContact N-OE2 3.29Å; G264-E295 VanDerWaalsContact N-OE2 3.08Å; G264-K316 WeakPolarHBondContact O-CE 3.36Å
265	S	98.7	Very high	98.7	Very high	65 Å²	65	30.4 Å²	30.4	46%	0.455	16%	0.163	S	C	.	.	S	Bend	trans	-117.8	-20.1	-173.1	58.5	0	0	0	0	115.5	S293 T317	S265-S293 PolarHBondContact N-O 3.22Å; S265-S293 PolarHBondContact N-OG 3.14Å; S265-S293 WeakPolarHBondContact OG-CB 3.36Å; S265-T317 WeakPolarHBondContact O-CA 3.31Å
266	D	98.8	Very high	98.7	Very high	55 Å²	55	29.3 Å²	29.3	29%	0.294	16%	0.157	S	C	.	.	S	Bend	trans	-110.3	-26.9	-165.6	-51.4	-23.5	0	0	0	112.7	V292 S293	D266-V292 HydrophobicContact CB-CG1 3.95Å; D266-S293 WeakPolarHBondContact CB-O 3.36Å; D266-S293 PolarHBondContact N-O 2.87Å; D266-S293 WeakPolarHBondContact OD2-CB 3.45Å; D266-S293 PolarHBondContact OD2-N 3.39Å
267	L	98.8	Very high	98.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	133	-177.1	171.5	58.4	0	0	0	112.4	L269 V292 S293 C294 E295 R319 I381 M384	L267-L269 HydrophobicContact CD1-CD2 4.41Å; L267-L269 HydrophobicContact CD2-CD2 3.59Å; L267-L269 HydrophobicContact CG-CD2 3.76Å; L267-L269 HydrophobicContact CG-CG 4.42Å; L267-V292 HydrophobicContact CB-CG1 4.43Å; L267-S293 PolarHBondContact N-O 3.48Å; L267-C294 CarbonylContact O-C 3.59Å; L267-C294 WeakPolarHBondContact O-CA 3.47Å; L267-E295 PolarHBondContact O-N 2.84Å; L267-R319 HydrophobicContact CD1-CB 3.58Å; L267-I381 HydrophobicContact CD2-CB 4.25Å; L267-I381 HydrophobicContact CD2-CD1 3.79Å; L267-I381 HydrophobicContact CD2-CG1 3.66Å; L267-I381 HydrophobicContact CD2-CG2 3.84Å; L267-M384 HydrophobicContact CD1-CE 3.17Å; L267-M384 HydrophobicContact CD1-SD 3.86Å; L267-M384 HydrophobicContact CD2-CE 3.41Å; L267-M384 VanDerWaalsContact CD2-CE 3.41Å; L267-M384 HydrophobicContact CG-CE 3.93Å
268	T	98.9	Very high	98.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.5	167.4	-58.3	0	0	0	0	112.1	V270 I297 S313 V314 T317 R319 L320 L321	T268-V270 HydrophobicContact CG2-CG2 4.01Å; T268-I297 HydrophobicContact CG2-CD1 3.84Å; T268-I297 HydrophobicContact CG2-CG1 4.43Å; T268-S313 WeakPolarHBondContact CB-OG 3.25Å; T268-S313 WeakPolarHBondContact CG2-OG 3.48Å; T268-S313 PolarHBondContact OG1-O 3.33Å; T268-S313 PolarHBondContact OG1-OG 2.6Å; T268-V314 HydrophobicContact CG2-CG2 4.2Å; T268-T317 PolarHBondContact N-OG1 3.04Å; T268-T317 WeakPolarHBondContact OG1-CG2 3.42Å; T268-T317 PolarHBondContact OG1-OG1 2.66Å; T268-R319 WeakPolarHBondContact CB-O 3.49Å; T268-R319 PolarHBondContact N-O 3.45Å; T268-L320 HydrophobicContact CG2-CD1 3.77Å; T268-L320 WeakPolarHBondContact O-CA 3.44Å; T268-L321 PolarHBondContact O-N 3.35Å
269	L	98.9	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.1	173.8	-55.7	-176.1	0	0	0	109.6	L267 M279 A283 C294 E295 V296 I297 L321 I381	L267-L269 HydrophobicContact CD1-CD2 4.41Å; L267-L269 HydrophobicContact CD2-CD2 3.59Å; L267-L269 HydrophobicContact CG-CD2 3.76Å; L267-L269 HydrophobicContact CG-CG 4.42Å; L269-M279 HydrophobicContact CB-SD 4.13Å; L269-M279 HydrophobicContact CD1-SD 4.39Å; L269-A283 HydrophobicContact CD1-CB 4.09Å; L269-C294 HydrophobicContact CD1-CB 3.82Å; L269-C294 HydrophobicContact CG-CB 4.14Å; L269-E295 WeakPolarHBondContact CB-O 3.48Å; L269-E295 PolarHBondContact N-O 3.31Å; L269-V296 HydrophobicContact CD1-CG2 4.29Å; L269-I297 PolarHBondContact O-N 3.37Å; L269-L321 WeakPolarHBondContact CA-O 3.26Å; L269-L321 HydrophobicContact CD2-CB 3.84Å; L269-L321 HydrophobicContact CD2-CD2 4.24Å; L269-L321 HydrophobicContact CD2-CG 4.46Å; L269-I381 HydrophobicContact CD1-CD1 4.27Å; L269-I381 HydrophobicContact CD2-CD1 3.9Å; L269-I381 HydrophobicContact CD2-CG1 4.41Å
270	V	98.9	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.7	178.1	178.7	0	0	0	0	110.4	T268 W272 I297 L299 V310 L320 L321 I322 S323 I336	T268-V270 HydrophobicContact CG2-CG2 4.01Å; V270-W272 HydrophobicContact CG1-CZ3 4.49Å; V270-I297 HydrophobicContact CG2-CB 4.2Å; V270-L299 HydrophobicContact CG1-CB 4.36Å; V270-V310 HydrophobicContact CG2-CG1 4.07Å; V270-V310 HydrophobicContact CG2-CG2 4.25Å; V270-L320 HydrophobicContact CB-CD1 4.37Å; V270-L320 HydrophobicContact CG2-CD1 3.67Å; V270-L321 PolarHBondContact N-O 3.37Å; V270-I322 HydrophobicContact CB-CG1 4.45Å; V270-I322 HydrophobicContact CB-CG2 4.47Å; V270-I322 WeakPolarHBondContact O-CA 3.45Å; V270-S323 PolarHBondContact O-N 3.04Å; V270-I336 HydrophobicContact CG1-CD1 4.3Å
271	A	98.9	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	-173	170.9	0	0	0	0	0	111.1	Q275 I276 M279 I297 L299 S323	A271-Q275 HydrophobicContact CB-CB 4.02Å; A271-Q275 HydrophobicContact CB-CG 3.9Å; A271-I276 HydrophobicContact CB-CD1 3.83Å; A271-I276 HydrophobicContact CB-CG1 4.32Å; A271-M279 HydrophobicContact CB-CG 3.59Å; A271-I297 PolarHBondContact N-O 2.78Å; A271-L299 PolarHBondContact O-N 3.07Å; A271-S323 WeakPolarHBondContact CA-O 3.33Å; A271-S323 VanDerWaalsContact CB-O 3.29Å; A271-S323 WeakPolarHBondContact CB-O 3.43Å
272	W	98.9	Very high	98.6	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	10%	0.103	C	C	.	.			trans	-152.6	163.8	173.3	46.1	89.6	0	0	0	110.5	E196 V270 Q275 L299 I302 I322 H324 F332 I336	E196-W272 PolarHBondContact OE1-NE1 2.94Å; V270-W272 HydrophobicContact CG1-CZ3 4.49Å; W272-Q275 WeakPolarHBondContact O-CB 3.4Å; W272-Q275 PolarHBondContact O-N 2.74Å; W272-L299 HydrophobicContact CB-CB 4.49Å; W272-L299 HydrophobicContact CE3-CB 3.86Å; W272-L299 HydrophobicContact CE3-CD2 3.62Å; W272-L299 HydrophobicContact CE3-CG 4.41Å; W272-L299 HydrophobicContact CZ3-CD2 3.67Å; W272-I302 HydrophobicContact CD2-CD1 3.57Å; W272-I302 HydrophobicContact CE3-CD1 4.05Å; W272-I302 HydrophobicContact CG-CD1 3.79Å; W272-I302 HydrophobicContact CZ2-CD1 4.13Å; W272-I322 HydrophobicContact CH2-CG2 4.39Å; W272-I322 HydrophobicContact CZ3-CG2 4.27Å; W272-H324 HydrophobicContact CH2-CB 4.01Å; W272-H324 HydrophobicContact CZ2-CB 3.38Å; W272-H324 AromaticContact CZ2-CG 3.67Å; W272-H324 AromaticContact CZ2-ND1 3.74Å; W272-F332 HydrophobicContact CH2-CB 4.06Å; W272-F332 AromaticContact CH2-CD1 3.79Å; W272-F332 HydrophobicContact CH2-CD1 3.79Å; W272-F332 HydrophobicContact CH2-CG 4.42Å; W272-F332 HydrophobicContact CZ2-CB 4Å; W272-F332 HydrophobicContact CZ2-CD1 4.26Å; W272-F332 HydrophobicContact CZ3-CD1 4.26Å; W272-I336 HydrophobicContact CH2-CD1 3.92Å; W272-I336 HydrophobicContact CZ3-CD1 3.53Å
273	G	98.6	Very high	98.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-139.6	178.3	0	0	0	0	0	113.1	Q275 I276	G273-Q275 PolarHBondContact O-N 3.19Å; G273-I276 PolarHBondContact O-N 3.47Å
274	T	98.6	Very high	98.6	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31	179.7	-46.2	0	0	0	0	112.5	F49 I237 L238 I276 H277	F49-T274 HydrophobicContact CB-CG2 4.18Å; F49-T274 HydrophobicContact CD1-CG2 3.58Å; F49-T274 HydrophobicContact CD2-CG2 3.98Å; F49-T274 HydrophobicContact CE1-CG2 3.94Å; F49-T274 HydrophobicContact CE2-CG2 4.28Å; F49-T274 HydrophobicContact CG-CG2 3.62Å; F49-T274 HydrophobicContact CZ-CG2 4.27Å; I237-T274 HydrophobicContact CG2-CG2 3.84Å; I237-T274 WeakPolarHBondContact CG2-OG1 3.47Å; L238-T274 HydrophobicContact CD2-CG2 4.3Å; T274-I276 PolarHBondContact O-N 3.47Å; T274-I276 VanDerWaalsContact O-N 3.09Å; T274-H277 WeakPolarHBondContact O-CB 3.44Å; T274-H277 PolarHBondContact O-CD2 3.15Å; T274-H277 PolarHBondContact O-N 3.33Å
275	Q	98.8	Very high	98.6	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.014	7%	0.072	C	C	.	.	H	α-helix	trans	-64.1	-18.5	-175.1	-165.3	62.9	7.3	0	0	113	A271 W272 G273 H277 V278 M279 S323 P372	A271-Q275 HydrophobicContact CB-CB 4.02Å; A271-Q275 HydrophobicContact CB-CG 3.9Å; W272-Q275 WeakPolarHBondContact O-CB 3.4Å; W272-Q275 PolarHBondContact O-N 2.74Å; G273-Q275 PolarHBondContact O-N 3.19Å; Q275-H277 VanDerWaalsContact C-N 3.3Å; Q275-H277 PolarHBondContact O-N 3.46Å; Q275-V278 WeakPolarHBondContact O-CB 3.46Å; Q275-V278 PolarHBondContact O-N 2.94Å; Q275-M279 WeakPolarHBondContact O-CG 3.44Å; Q275-M279 PolarHBondContact O-N 2.8Å; Q275-S323 PolarHBondContact NE2-OG 3.22Å; Q275-P372 PolarHBondContact NE2-O 3.22Å
276	I	98.6	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-61.9	-38.2	171.3	-71.3	-67.4	0	0	0	112.7	R211 L261 A271 G273 T274 V278 M279 K280 I297 D298	R211-I276 HydrophobicContact CB-CB 4.28Å; R211-I276 HydrophobicContact CB-CG1 4.42Å; L261-I276 HydrophobicContact CD1-CG2 3.44Å; L261-I276 VanDerWaalsContact CD1-CG2 3.44Å; A271-I276 HydrophobicContact CB-CD1 3.83Å; A271-I276 HydrophobicContact CB-CG1 4.32Å; G273-I276 PolarHBondContact O-N 3.47Å; T274-I276 PolarHBondContact O-N 3.47Å; T274-I276 VanDerWaalsContact O-N 3.09Å; I276-V278 VanDerWaalsContact C-N 3.26Å; I276-V278 PolarHBondContact O-N 2.89Å; I276-M279 PolarHBondContact O-N 2.86Å; I276-K280 PolarHBondContact O-N 2.74Å; I276-I297 WeakPolarHBondContact CD1-O 3.09Å; I276-D298 VanDerWaalsContact CD1-CA 3.41Å; I276-D298 HydrophobicContact CD1-CB 3.64Å; I276-D298 HydrophobicContact CG1-CB 3.93Å
277	H	98.4	Very high	98.6	Very high	3 Å²	3	12 Å²	12	1%	0.014	6%	0.058	C	C	.	.	H	α-helix	trans	-69.1	-30.3	178.1	-58.4	-64	0	0	0	111.3	F49 F51 R211 T274 Q275 E281	F49-H277 HydrophobicContact CB-CB 4.07Å; F49-H277 HydrophobicContact CD2-CB 3.96Å; F49-H277 HydrophobicContact CG-CB 4.46Å; F51-H277 AromaticContact CD2-CE1 3.3Å; F51-H277 WeakPolarHBondContact CD2-CE1 3.48Å; F51-H277 AromaticContact CD2-ND1 3.95Å; F51-H277 AromaticContact CD2-NE2 3.5Å; F51-H277 AromaticContact CE2-CE1 3.59Å; F51-H277 AromaticContact CE2-NE2 3.88Å; R211-H277 PolarHBondContact O-NE2 3.12Å; T274-H277 WeakPolarHBondContact O-CB 3.44Å; T274-H277 PolarHBondContact O-CD2 3.15Å; T274-H277 PolarHBondContact O-N 3.33Å; Q275-H277 VanDerWaalsContact C-N 3.3Å; Q275-H277 PolarHBondContact O-N 3.46Å; H277-E281 PolarHBondContact O-N 3.48Å
278	V	98.6	Very high	98.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.3	-46.6	169.9	-178.8	0	0	0	0	110.2	F49 Q275 I276 K280 E281 V282 K374	F49-V278 HydrophobicContact CB-CG2 4.16Å; Q275-V278 WeakPolarHBondContact O-CB 3.46Å; Q275-V278 PolarHBondContact O-N 2.94Å; I276-V278 VanDerWaalsContact C-N 3.26Å; I276-V278 PolarHBondContact O-N 2.89Å; V278-K280 PolarHBondContact O-N 3.4Å; V278-E281 PolarHBondContact O-N 3.08Å; V278-V282 HydrophobicContact CG1-CG2 4.19Å; V278-V282 WeakPolarHBondContact O-CB 3.39Å; V278-V282 WeakPolarHBondContact O-CG2 3.33Å; V278-V282 PolarHBondContact O-N 2.98Å; V278-K374 HydrophobicContact CG1-CB 4.04Å
279	M	98.5	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-40.9	178.9	-68.5	-58.8	98.9	0	0	113	L269 A271 Q275 I276 E281 V282 A283 V296 L321 C377	L269-M279 HydrophobicContact CB-SD 4.13Å; L269-M279 HydrophobicContact CD1-SD 4.39Å; A271-M279 HydrophobicContact CB-CG 3.59Å; Q275-M279 WeakPolarHBondContact O-CG 3.44Å; Q275-M279 PolarHBondContact O-N 2.8Å; I276-M279 PolarHBondContact O-N 2.86Å; M279-E281 VanDerWaalsContact C-N 3.34Å; M279-E281 PolarHBondContact O-N 2.9Å; M279-V282 HydrophobicContact CE-CG2 4.49Å; M279-V282 PolarHBondContact O-N 3.18Å; M279-A283 WeakPolarHBondContact O-CB 3.23Å; M279-A283 PolarHBondContact O-N 2.85Å; M279-V296 HydrophobicContact CB-CG1 4.04Å; M279-L321 HydrophobicContact SD-CD2 4.05Å; M279-C377 HydrophobicContact CE-CB 3.81Å; M279-C377 WeakPolarHBondContact CE-SG 3.48Å
280	K	98.3	Very high	98.5	Very high	25 Å²	25	28.3 Å²	28.3	11%	0.109	13%	0.134	C	C	.	.	H	α-helix	trans	-59.2	-44.1	173.6	-73.8	-175	178	-175.9	0	111.6	D54 I276 V278 N284 V296	D54-K280 IonicContact OD1-NZ 3.04Å; I276-K280 PolarHBondContact O-N 2.74Å; V278-K280 PolarHBondContact O-N 3.4Å; K280-N284 PolarHBondContact O-N 2.86Å; K280-N284 PolarHBondContact O-ND2 3.36Å; K280-V296 HydrophobicContact CG-CG1 4.36Å
281	E	98.1	Very high	98.5	Very high	45 Å²	45	30.6 Å²	30.6	21%	0.21	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-41.8	177.2	-169.8	174.5	178	0	0	111.7	H277 V278 M279 N284 M285 K374	H277-E281 PolarHBondContact O-N 3.48Å; V278-E281 PolarHBondContact O-N 3.08Å; M279-E281 VanDerWaalsContact C-N 3.34Å; M279-E281 PolarHBondContact O-N 2.9Å; E281-N284 PolarHBondContact O-N 2.85Å; E281-M285 HydrophobicContact CG-SD 4.26Å; E281-M285 VanDerWaalsContact O-CG 3.31Å; E281-M285 WeakPolarHBondContact O-CG 3.49Å; E281-M285 PolarHBondContact O-N 3.01Å; E281-K374 VanDerWaalsContact CD-NZ 3.31Å; E281-K374 HydrophobicContact CG-CD 4.17Å; E281-K374 VanDerWaalsContact OE1-CD 3.29Å; E281-K374 WeakPolarHBondContact OE1-CD 3.46Å; E281-K374 WeakPolarHBondContact OE1-CE 3.29Å; E281-K374 IonicContact OE1-NZ 3.94Å; E281-K374 PolarHBondContact OE1-NZ 3.45Å; E281-K374 WeakPolarHBondContact OE2-CD 3.05Å; E281-K374 IonicContact OE2-NZ 2.8Å; E281-K374 PolarHBondContact OE2-NZ 2.88Å
282	V	98.2	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-39.6	178.5	171.9	0	0	0	0	111.9	V278 M279 N284 M285 A286 K374 C377 F378 I381	V278-V282 HydrophobicContact CG1-CG2 4.19Å; V278-V282 WeakPolarHBondContact O-CB 3.39Å; V278-V282 WeakPolarHBondContact O-CG2 3.33Å; V278-V282 PolarHBondContact O-N 2.98Å; M279-V282 HydrophobicContact CE-CG2 4.49Å; M279-V282 PolarHBondContact O-N 3.18Å; V282-N284 VanDerWaalsContact C-N 3.35Å; V282-M285 PolarHBondContact O-N 3.03Å; V282-A286 WeakPolarHBondContact O-CB 3.46Å; V282-A286 PolarHBondContact O-N 2.88Å; V282-K374 HydrophobicContact CG2-CB 3.66Å; V282-K374 WeakPolarHBondContact CG2-O 3.05Å; V282-C377 HydrophobicContact CG1-CB 4.11Å; V282-C377 HydrophobicContact CG2-CB 3.73Å; V282-F378 HydrophobicContact CG1-CB 4.43Å; V282-I381 HydrophobicContact CG1-CD1 3.28Å; V282-I381 HydrophobicContact CG1-CG1 4.33Å
283	A	98.6	Very high	98.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-45.2	174.1	0	0	0	0	0	111.5	L269 M279 A286 Q287 C294 V296	L269-A283 HydrophobicContact CD1-CB 4.09Å; M279-A283 WeakPolarHBondContact O-CB 3.23Å; M279-A283 PolarHBondContact O-N 2.85Å; A283-A286 PolarHBondContact O-N 2.97Å; A283-Q287 PolarHBondContact O-N 2.93Å; A283-C294 HydrophobicContact CB-CB 3.75Å; A283-V296 HydrophobicContact CB-CG2 3.69Å
284	N	98.3	Very high	98.5	Very high	64 Å²	64	32.4 Å²	32.4	34%	0.342	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-44.1	174.8	-69.8	-42.9	0	0	0	111.6	K280 E281 V282 A286 Q287 E288	K280-N284 PolarHBondContact O-N 2.86Å; K280-N284 PolarHBondContact O-ND2 3.36Å; E281-N284 PolarHBondContact O-N 2.85Å; V282-N284 VanDerWaalsContact C-N 3.35Å; N284-A286 VanDerWaalsContact C-N 3.32Å; N284-A286 PolarHBondContact O-N 2.92Å; N284-Q287 PolarHBondContact O-N 2.97Å; N284-E288 WeakPolarHBondContact O-CB 3.33Å; N284-E288 WeakPolarHBondContact O-CG 3.39Å; N284-E288 PolarHBondContact O-N 3.17Å
285	M	98.4	Very high	98.5	Very high	13 Å²	13	32.5 Å²	32.5	6%	0.064	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-39.1	176.4	-69.8	169.9	56.8	0	0	112.4	E281 V282 K289 K374 W375 F378	E281-M285 HydrophobicContact CG-SD 4.26Å; E281-M285 VanDerWaalsContact O-CG 3.31Å; E281-M285 WeakPolarHBondContact O-CG 3.49Å; E281-M285 PolarHBondContact O-N 3.01Å; V282-M285 PolarHBondContact O-N 3.03Å; M285-K289 VanDerWaalsContact O-CB 3.23Å; M285-K289 WeakPolarHBondContact O-CB 3.31Å; M285-K289 WeakPolarHBondContact O-CG 3.31Å; M285-K289 PolarHBondContact O-N 2.52Å; M285-K374 HydrophobicContact SD-CB 4.32Å; M285-K374 HydrophobicContact SD-CD 4.12Å; M285-K374 HydrophobicContact SD-CG 4.34Å; M285-W375 HydrophobicContact CE-CD2 4.44Å; M285-W375 HydrophobicContact CE-CE3 3.57Å; M285-W375 HydrophobicContact CE-CH2 3.97Å; M285-W375 HydrophobicContact CE-CZ3 3.29Å; M285-F378 HydrophobicContact CB-CD2 3.91Å; M285-F378 HydrophobicContact CB-CE2 4.03Å; M285-F378 HydrophobicContact CE-CB 3.83Å; M285-F378 HydrophobicContact CE-CD1 3.77Å; M285-F378 HydrophobicContact CE-CD2 4.14Å; M285-F378 HydrophobicContact CE-CE1 4.32Å; M285-F378 HydrophobicContact CE-CG 3.66Å
286	A	98.6	Very high	98.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-45.9	176.5	0	0	0	0	0	111.4	V282 A283 N284 L290 G291 V292 I381	V282-A286 WeakPolarHBondContact O-CB 3.46Å; V282-A286 PolarHBondContact O-N 2.88Å; A283-A286 PolarHBondContact O-N 2.97Å; N284-A286 VanDerWaalsContact C-N 3.32Å; N284-A286 PolarHBondContact O-N 2.92Å; A286-L290 CarbonylContact O-C 3.55Å; A286-L290 WeakPolarHBondContact O-CA 3.43Å; A286-L290 VanDerWaalsContact O-CB 3.3Å; A286-L290 WeakPolarHBondContact O-CB 3.39Å; A286-L290 PolarHBondContact O-N 2.88Å; A286-G291 PolarHBondContact O-N 3.2Å; A286-G291 VanDerWaalsContact O-N 3.15Å; A286-V292 HydrophobicContact CB-CB 4.24Å; A286-V292 PolarHBondContact O-N 3.39Å; A286-I381 HydrophobicContact CB-CD1 4.39Å; A286-I381 HydrophobicContact CB-CG2 4.31Å
287	Q	98.4	Very high	98.5	Very high	98 Å²	98	32.4 Å²	32.4	46%	0.458	17%	0.17	S	C	.	.	H	α-helix	trans	-61.5	-48.3	176.2	-178.2	60.1	70.3	0	0	112	A283 N284 G291 V292	A283-Q287 PolarHBondContact O-N 2.93Å; N284-Q287 PolarHBondContact O-N 2.97Å; Q287-G291 VanDerWaalsContact O-CA 3.31Å; Q287-G291 WeakPolarHBondContact O-CA 3.46Å; Q287-G291 PolarHBondContact O-N 2.93Å; Q287-G291 VanDerWaalsContact O-N 3.13Å; Q287-V292 WeakPolarHBondContact CA-O 3.44Å; Q287-V292 PolarHBondContact N-O 3.14Å
288	E	98.3	Very high	98.5	Very high	152 Å²	152	32.2 Å²	32.2	71%	0.71	17%	0.169	S	C	*	.	H	α-helix	trans	-68.9	-39.7	-176.4	-73.8	178.4	-177.4	0	0	113.4	N284	N284-E288 WeakPolarHBondContact O-CB 3.33Å; N284-E288 WeakPolarHBondContact O-CG 3.39Å; N284-E288 PolarHBondContact O-N 3.17Å
289	K	98.4	Very high	98.5	Very high	123 Å²	123	32.2 Å²	32.2	54%	0.535	17%	0.169	S	C	.	.	H	α-helix	trans	-100.3	-25.4	-169	-60.9	178.5	-175.5	-59.5	0	113.5	M285 F378	M285-K289 VanDerWaalsContact O-CB 3.23Å; M285-K289 WeakPolarHBondContact O-CB 3.31Å; M285-K289 WeakPolarHBondContact O-CG 3.31Å; M285-K289 PolarHBondContact O-N 2.52Å; K289-F378 HydrophobicContact CB-CE2 4.35Å; K289-F378 HydrophobicContact CB-CZ 3.82Å; K289-F378 HydrophobicContact CD-CE1 3.93Å; K289-F378 HydrophobicContact CD-CE2 4.29Å; K289-F378 HydrophobicContact CD-CZ 3.52Å; K289-F378 HydrophobicContact CG-CZ 4.26Å
290	L	98.2	Very high	98.5	Very high	66 Å²	66	33.2 Å²	33.2	35%	0.346	17%	0.173	S	C	.	.	H	α-helix	trans	-122.7	-12	-174.4	-50.8	175.1	0	0	0	112.5	A286 V292 F378 I381 K382	A286-L290 CarbonylContact O-C 3.55Å; A286-L290 WeakPolarHBondContact O-CA 3.43Å; A286-L290 VanDerWaalsContact O-CB 3.3Å; A286-L290 WeakPolarHBondContact O-CB 3.39Å; A286-L290 PolarHBondContact O-N 2.88Å; L290-V292 HydrophobicContact CB-CB 4.34Å; L290-V292 HydrophobicContact CB-CG2 3.68Å; L290-V292 PolarHBondContact O-N 3.02Å; L290-F378 HydrophobicContact CD1-CE2 3.83Å; L290-F378 HydrophobicContact CD1-CZ 4.23Å; L290-F378 HydrophobicContact CG-CE2 4.13Å; L290-F378 HydrophobicContact CG-CZ 4.23Å; L290-I381 HydrophobicContact CD1-CG2 4.26Å; L290-K382 HydrophobicContact CD1-CG 3.64Å; L290-K382 HydrophobicContact CD2-CG 4.11Å; L290-K382 HydrophobicContact CG-CG 4.5Å
291	G	98.3	Very high	98.6	Very high	49 Å²	49	32 Å²	32	51%	0.505	17%	0.168	S	C	.	.			trans	70.4	20.6	-173.4	0	0	0	0	0	113.6	A286 Q287	A286-G291 PolarHBondContact O-N 3.2Å; A286-G291 VanDerWaalsContact O-N 3.15Å; Q287-G291 VanDerWaalsContact O-CA 3.31Å; Q287-G291 WeakPolarHBondContact O-CA 3.46Å; Q287-G291 PolarHBondContact O-N 2.93Å; Q287-G291 VanDerWaalsContact O-N 3.13Å
292	V	98.6	Very high	98.6	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.048	16%	0.158	C	C	.	.			trans	-94.3	124.2	-174.8	173.6	0	0	0	0	110.6	D266 L267 A286 Q287 L290 I385	D266-V292 HydrophobicContact CB-CG1 3.95Å; L267-V292 HydrophobicContact CB-CG1 4.43Å; A286-V292 HydrophobicContact CB-CB 4.24Å; A286-V292 PolarHBondContact O-N 3.39Å; Q287-V292 WeakPolarHBondContact CA-O 3.44Å; Q287-V292 PolarHBondContact N-O 3.14Å; L290-V292 HydrophobicContact CB-CB 4.34Å; L290-V292 HydrophobicContact CB-CG2 3.68Å; L290-V292 PolarHBondContact O-N 3.02Å; V292-I385 HydrophobicContact CG1-CD1 3.69Å; V292-I385 HydrophobicContact CG1-CG1 4.19Å; V292-I385 HydrophobicContact CG2-CD1 4.02Å; V292-I385 HydrophobicContact CG2-CG1 4.01Å; V292-I385 HydrophobicContact CG2-CG2 4Å
293	S	98.7	Very high	98.6	Very high	29 Å²	29	31.4 Å²	31.4	20%	0.203	17%	0.166	C	C	.	.			trans	-83.8	109.8	176	-176.2	0	0	0	0	111.1	G264 S265 D266 L267	G264-S293 VanDerWaalsContact CA-OG 3.29Å; G264-S293 WeakPolarHBondContact CA-OG 3.25Å; S265-S293 PolarHBondContact N-O 3.22Å; S265-S293 PolarHBondContact N-OG 3.14Å; S265-S293 WeakPolarHBondContact OG-CB 3.36Å; D266-S293 WeakPolarHBondContact CB-O 3.36Å; D266-S293 PolarHBondContact N-O 2.87Å; D266-S293 WeakPolarHBondContact OD2-CB 3.45Å; D266-S293 PolarHBondContact OD2-N 3.39Å; L267-S293 PolarHBondContact N-O 3.48Å
294	C	98.8	Very high	98.6	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.6	-179.7	-61.1	0	0	0	0	111.9	Q262 L267 L269 A283	Q262-C294 PolarHBondContact NE2-O 3.26Å; L267-C294 CarbonylContact O-C 3.59Å; L267-C294 WeakPolarHBondContact O-CA 3.47Å; L269-C294 HydrophobicContact CD1-CB 3.82Å; L269-C294 HydrophobicContact CG-CB 4.14Å; A283-C294 HydrophobicContact CB-CB 3.75Å
295	E	98.9	Very high	98.6	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.019	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	127.9	164.5	177.9	132.8	111.2	0	0	109.1	V260 Q262 E263 G264 L267 L269 I297 S313 K316 T317	V260-E295 HydrophobicContact CG1-CG 3.96Å; Q262-E295 CarbonylContact O-C 3.21Å; Q262-E295 VanDerWaalsContact O-CA 3.25Å; Q262-E295 WeakPolarHBondContact O-CA 3.28Å; E263-E295 VanDerWaalsContact CA-OE2 3.31Å; E263-E295 WeakPolarHBondContact CA-OE2 3.47Å; G264-E295 PolarHBondContact N-OE2 3.29Å; G264-E295 VanDerWaalsContact N-OE2 3.08Å; L267-E295 PolarHBondContact O-N 2.84Å; L269-E295 WeakPolarHBondContact CB-O 3.48Å; L269-E295 PolarHBondContact N-O 3.31Å; E295-I297 HydrophobicContact CG-CD1 4.41Å; E295-I297 HydrophobicContact CG-CG1 4.16Å; E295-S313 WeakPolarHBondContact OE1-CB 3.43Å; E295-S313 PolarHBondContact OE1-OG 3.18Å; E295-K316 VanDerWaalsContact OE1-CE 3.28Å; E295-K316 WeakPolarHBondContact OE1-CE 3.25Å; E295-K316 IonicContact OE1-NZ 2.92Å; E295-K316 PolarHBondContact OE1-NZ 3Å; E295-K316 WeakPolarHBondContact OE2-CE 3.49Å; E295-K316 IonicContact OE2-NZ 3.59Å; E295-K316 PolarHBondContact OE2-NZ 3.4Å; E295-T317 HydrophobicContact CB-CG2 4.39Å
296	V	98.9	Very high	98.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.9	-178.8	-176.5	0	0	0	0	110.1	L261 Q262 L269 M279 K280 A283	L261-V296 PolarHBondContact N-O 2.94Å; Q262-V296 HydrophobicContact CB-CB 4.08Å; Q262-V296 HydrophobicContact CB-CG2 4.12Å; Q262-V296 PolarHBondContact O-N 3.43Å; L269-V296 HydrophobicContact CD1-CG2 4.29Å; M279-V296 HydrophobicContact CB-CG1 4.04Å; K280-V296 HydrophobicContact CG-CG1 4.36Å; A283-V296 HydrophobicContact CB-CG2 3.69Å
297	I	98.9	Very high	98.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	125.4	-177.8	-58.3	-176.1	0	0	0	110.4	A258 E259 V260 T268 L269 V270 A271 I276 E295 T309 S313	A258-I297 HydrophobicContact CB-CG2 3.76Å; E259-I297 WeakPolarHBondContact O-CA 3.46Å; V260-I297 HydrophobicContact CG2-CD1 4.39Å; V260-I297 HydrophobicContact CG2-CG1 4.21Å; T268-I297 HydrophobicContact CG2-CD1 3.84Å; T268-I297 HydrophobicContact CG2-CG1 4.43Å; L269-I297 PolarHBondContact O-N 3.37Å; V270-I297 HydrophobicContact CG2-CB 4.2Å; A271-I297 PolarHBondContact N-O 2.78Å; I276-I297 WeakPolarHBondContact CD1-O 3.09Å; E295-I297 HydrophobicContact CG-CD1 4.41Å; E295-I297 HydrophobicContact CG-CG1 4.16Å; I297-T309 HydrophobicContact CD1-CG2 4.44Å; I297-S313 VanDerWaalsContact CD1-CB 3.49Å; I297-S313 WeakPolarHBondContact CD1-OG 3.24Å
298	D	98.9	Very high	98.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	117.6	162.9	-175.9	6.2	0	0	0	110.2	R211 A258 E259 L261 I276 R300	R211-D298 WeakPolarHBondContact CD-OD2 3.26Å; R211-D298 WeakPolarHBondContact CG-OD2 3.47Å; R211-D298 IonicContact CZ-OD2 3.41Å; R211-D298 IonicContact NE-OD2 2.74Å; R211-D298 IonicContact NH1-OD2 3.93Å; R211-D298 PolarHBondContact NH1-OD2 3.2Å; A258-D298 CarbonylContact C-O 3.56Å; A258-D298 VanDerWaalsContact CA-O 3.27Å; A258-D298 WeakPolarHBondContact CA-O 3.42Å; A258-D298 WeakPolarHBondContact CB-O 3.25Å; E259-D298 PolarHBondContact N-O 2.93Å; E259-D298 PolarHBondContact O-N 3.45Å; L261-D298 HydrophobicContact CD1-CB 3.96Å; L261-D298 HydrophobicContact CG-CB 4.3Å; I276-D298 VanDerWaalsContact CD1-CA 3.41Å; I276-D298 HydrophobicContact CD1-CB 3.64Å; I276-D298 HydrophobicContact CG1-CB 3.93Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 HydrophobicContact CB-CG 4.28Å; D298-R300 PolarHBondContact OD1-N 3.3Å; D298-R300 VanDerWaalsContact OD1-N 3.11Å
299	L	98.9	Very high	98.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.			trans	-70.2	-32.9	-177.5	-167.8	64.1	0	0	0	112.6	A258 V270 A271 W272 T301 I302 W305 V310 F332 I336	A258-L299 HydrophobicContact CB-CD1 4.41Å; V270-L299 HydrophobicContact CG1-CB 4.36Å; A271-L299 PolarHBondContact O-N 3.07Å; W272-L299 HydrophobicContact CB-CB 4.49Å; W272-L299 HydrophobicContact CE3-CB 3.86Å; W272-L299 HydrophobicContact CE3-CD2 3.62Å; W272-L299 HydrophobicContact CE3-CG 4.41Å; W272-L299 HydrophobicContact CZ3-CD2 3.67Å; L299-T301 PolarHBondContact O-N 3.05Å; L299-I302 HydrophobicContact CD2-CD1 4.13Å; L299-W305 HydrophobicContact CD1-CB 4.28Å; L299-W305 HydrophobicContact CD1-CE3 4.08Å; L299-W305 HydrophobicContact CD2-CB 4.35Å; L299-V310 HydrophobicContact CD1-CG2 4.15Å; L299-F332 HydrophobicContact CD2-CD1 4.23Å; L299-F332 HydrophobicContact CD2-CE1 3.83Å; L299-I336 HydrophobicContact CD2-CD1 3.72Å
300	R	98.8	Very high	98.8	Very high	20 Å²	20	25.8 Å²	25.8	8%	0.075	15%	0.149	C	C	.	.			trans	58.3	-58.5	-176.6	-54.5	-172.7	-66.2	-166.8	-2.7	115.9	I209 L219 Q257 A258 E259 D298	I209-R300 PolarHBondContact N-O 3.09Å; L219-R300 HydrophobicContact CD1-CB 4.19Å; L219-R300 HydrophobicContact CD1-CG 4.45Å; Q257-R300 PolarHBondContact O-NE 3.21Å; Q257-R300 PolarHBondContact O-NH2 2.91Å; A258-R300 PolarHBondContact O-NH2 2.83Å; E259-R300 IonicContact OE2-NH1 2.71Å; E259-R300 PolarHBondContact OE2-NH1 3.25Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 HydrophobicContact CB-CG 4.28Å; D298-R300 PolarHBondContact OD1-N 3.3Å; D298-R300 VanDerWaalsContact OD1-N 3.11Å
301	T	98.9	Very high	98.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.7	179.7	-54.6	0	0	0	0	110.1	V207 V208 S256 L299 L303 P304 W305	V207-T301 CarbonylContact O-C 3.55Å; V207-T301 WeakPolarHBondContact O-CA 3.41Å; V207-T301 WeakPolarHBondContact O-CG2 3.25Å; V208-T301 HydrophobicContact CG2-CG2 4.19Å; S256-T301 PolarHBondContact N-OG1 3.42Å; L299-T301 PolarHBondContact O-N 3.05Å; T301-L303 WeakPolarHBondContact CG2-O 3.2Å; T301-P304 WeakPolarHBondContact CG2-O 3.4Å; T301-W305 WeakPolarHBondContact O-CA 3.42Å; T301-W305 WeakPolarHBondContact O-CB 3.43Å
302	I	98.9	Very high	98.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-38.2	176.9	-56.1	-58	0	0	0	110.7	E196 A200 V207 I209 W272 L299 W305 F332	E196-I302 HydrophobicContact CB-CG1 4.15Å; E196-I302 HydrophobicContact CB-CG2 4.29Å; E196-I302 HydrophobicContact CG-CD1 4.41Å; E196-I302 HydrophobicContact CG-CG1 4.2Å; E196-I302 HydrophobicContact CG-CG2 4.37Å; A200-I302 HydrophobicContact CB-CG2 4.03Å; V207-I302 HydrophobicContact CB-CB 4.02Å; V207-I302 HydrophobicContact CG1-CB 3.96Å; V207-I302 HydrophobicContact CG1-CG1 4.17Å; V207-I302 HydrophobicContact CG1-CG2 4.5Å; V207-I302 PolarHBondContact O-N 2.93Å; I209-I302 HydrophobicContact CD1-CD1 4.22Å; I209-I302 HydrophobicContact CD1-CG1 3.85Å; I209-I302 HydrophobicContact CG1-CG1 4.04Å; W272-I302 HydrophobicContact CD2-CD1 3.57Å; W272-I302 HydrophobicContact CE3-CD1 4.05Å; W272-I302 HydrophobicContact CG-CD1 3.79Å; W272-I302 HydrophobicContact CZ2-CD1 4.13Å; L299-I302 HydrophobicContact CD2-CD1 4.13Å; I302-W305 WeakPolarHBondContact O-CB 3.5Å; I302-F332 HydrophobicContact CD1-CD1 4.22Å; I302-F332 HydrophobicContact CG2-CB 4.49Å; I302-F332 HydrophobicContact CG2-CD1 3.75Å; I302-F332 HydrophobicContact CG2-CD2 3.77Å; I302-F332 HydrophobicContact CG2-CE1 3.84Å; I302-F332 HydrophobicContact CG2-CE2 3.86Å; I302-F332 HydrophobicContact CG2-CG 3.72Å; I302-F332 HydrophobicContact CG2-CZ 3.9Å; I302-F332 WeakPolarHBondContact O-CZ 3.2Å
303	L	98.4	Very high	98.8	Very high	33 Å²	33	28.3 Å²	28.3	17%	0.173	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	127.8	179.1	-175.3	71.1	0	0	0	110.2	C202 I205 K206 V207 T301	C202-L303 WeakPolarHBondContact O-CD2 3.41Å; I205-L303 HydrophobicContact CG1-CD2 4.42Å; I205-L303 WeakPolarHBondContact O-CD2 3.3Å; K206-L303 CarbonylContact C-O 3.54Å; K206-L303 WeakPolarHBondContact CA-O 3.08Å; V207-L303 HydrophobicContact CB-CB 4.35Å; V207-L303 HydrophobicContact CG2-CB 4.32Å; V207-L303 PolarHBondContact N-O 3.08Å; V207-L303 PolarHBondContact O-N 3.49Å; T301-L303 WeakPolarHBondContact CG2-O 3.2Å
304	P	98.7	Very high	98.8	Very high	62 Å²	62	26.9 Å²	26.9	40%	0.403	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	cis	-63	134.9	-22.2	-17.5	30.7	0	0	0	111	S256 T301	S256-P304 WeakPolarHBondContact CA-O 3.32Å; S256-P304 WeakPolarHBondContact CB-O 3.48Å; S256-P304 WeakPolarHBondContact OG-CD 3.28Å; S256-P304 PolarHBondContact OG-O 3.03Å; T301-P304 WeakPolarHBondContact CG2-O 3.4Å
305	W	98.8	Very high	98.8	Very high	29 Å²	29	30.3 Å²	30.3	11%	0.11	16%	0.156	C	C	.	.			trans	-88.1	159.7	178.7	69.5	-74.7	0	0	0	112.1	L299 T301 I302 T307 V310 F332 I336 T339	L299-W305 HydrophobicContact CD1-CB 4.28Å; L299-W305 HydrophobicContact CD1-CE3 4.08Å; L299-W305 HydrophobicContact CD2-CB 4.35Å; T301-W305 WeakPolarHBondContact O-CA 3.42Å; T301-W305 WeakPolarHBondContact O-CB 3.43Å; I302-W305 WeakPolarHBondContact O-CB 3.5Å; W305-T307 VanDerWaalsContact CE2-OG1 3.3Å; W305-T307 HydrophobicContact CH2-CG2 3.86Å; W305-T307 HydrophobicContact CZ2-CG2 4.08Å; W305-T307 VanDerWaalsContact CZ2-OG1 3.3Å; W305-T307 WeakPolarHBondContact CZ2-OG1 3.44Å; W305-T307 HydrophobicContact CZ3-CG2 4.41Å; W305-T307 PolarHBondContact O-N 3.31Å; W305-V310 HydrophobicContact CE3-CG2 4.39Å; W305-V310 HydrophobicContact CZ3-CB 3.98Å; W305-V310 HydrophobicContact CZ3-CG1 4.32Å; W305-V310 HydrophobicContact CZ3-CG2 4.02Å; W305-F332 HydrophobicContact CB-CE1 4.2Å; W305-F332 HydrophobicContact CB-CZ 4.11Å; W305-F332 AromaticContact CD1-CZ 3.65Å; W305-F332 HydrophobicContact CG-CE1 4.19Å; W305-F332 AromaticContact CG-CZ 3.87Å; W305-F332 HydrophobicContact CG-CZ 3.87Å; W305-I336 HydrophobicContact CD2-CG1 4.48Å; W305-I336 HydrophobicContact CE3-CG1 4.28Å; W305-I336 HydrophobicContact CH2-CB 4.41Å; W305-I336 HydrophobicContact CH2-CG1 4.4Å; W305-I336 HydrophobicContact CH2-CG2 4.19Å; W305-I336 HydrophobicContact CZ3-CG1 4.22Å; W305-I336 HydrophobicContact CZ3-CG2 4.08Å; W305-T339 HydrophobicContact CH2-CG2 3.97Å; W305-T339 HydrophobicContact CZ2-CG2 3.64Å
306	D	98.9	Very high	98.8	Very high	8 Å²	8	34.6 Å²	34.6	4%	0.043	17%	0.174	C	C	.	.			trans	-86.7	83.9	-177.9	-174.8	-5.1	0	0	0	111.5	Q257 A258 E308 T309	Q257-D306 WeakPolarHBondContact CA-OD2 3.29Å; A258-D306 HydrophobicContact CB-CB 3.9Å; A258-D306 VanDerWaalsContact N-CB 3.35Å; A258-D306 PolarHBondContact N-OD2 2.67Å; D306-E308 VanDerWaalsContact C-N 3.3Å; D306-E308 PolarHBondContact O-N 3.06Å; D306-E308 PolarHBondContact OD1-N 3.3Å; D306-T309 VanDerWaalsContact CG-OG1 3.26Å; D306-T309 PolarHBondContact OD1-N 2.98Å; D306-T309 PolarHBondContact OD1-OG1 3.44Å; D306-T309 WeakPolarHBondContact OD2-CB 3.3Å; D306-T309 PolarHBondContact OD2-OG1 2.96Å
307	T	98.8	Very high	98.8	Very high	45 Å²	45	35 Å²	35	28%	0.276	18%	0.176	S	C	.	.	H	α-helix	trans	-62.8	-36.4	177.6	-52.6	0	0	0	0	112.3	W305 V310 C311 T339	W305-T307 VanDerWaalsContact CE2-OG1 3.3Å; W305-T307 HydrophobicContact CH2-CG2 3.86Å; W305-T307 HydrophobicContact CZ2-CG2 4.08Å; W305-T307 VanDerWaalsContact CZ2-OG1 3.3Å; W305-T307 WeakPolarHBondContact CZ2-OG1 3.44Å; W305-T307 HydrophobicContact CZ3-CG2 4.41Å; W305-T307 PolarHBondContact O-N 3.31Å; T307-V310 PolarHBondContact O-N 2.87Å; T307-C311 VanDerWaalsContact O-CB 3.3Å; T307-C311 WeakPolarHBondContact O-CB 3.24Å; T307-C311 PolarHBondContact O-N 3.23Å; T307-C311 PolarHBondContact O-SG 3.31Å; T307-T339 HydrophobicContact CG2-CG2 3.59Å
308	E	98.8	Very high	98.8	Very high	155 Å²	155	35.2 Å²	35.2	72%	0.724	18%	0.179	S	C	*	.	H	α-helix	trans	-63.9	-51	-175.3	-175.1	-179.3	169	0	0	111.2	D306 V310 C311 K312	D306-E308 VanDerWaalsContact C-N 3.3Å; D306-E308 PolarHBondContact O-N 3.06Å; D306-E308 PolarHBondContact OD1-N 3.3Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.35Å; E308-C311 PolarHBondContact O-N 2.89Å; E308-K312 VanDerWaalsContact O-CB 3.23Å; E308-K312 WeakPolarHBondContact O-CB 3.26Å; E308-K312 PolarHBondContact O-N 2.88Å
309	T	98.9	Very high	98.8	Very high	32 Å²	32	36.9 Å²	36.9	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-60.8	-44	-179.8	-66.4	0	0	0	0	111.7	A258 V260 I297 D306 S313	A258-T309 HydrophobicContact CB-CG2 3.91Å; V260-T309 HydrophobicContact CG2-CG2 3.96Å; I297-T309 HydrophobicContact CD1-CG2 4.44Å; D306-T309 VanDerWaalsContact CG-OG1 3.26Å; D306-T309 PolarHBondContact OD1-N 2.98Å; D306-T309 PolarHBondContact OD1-OG1 3.44Å; D306-T309 WeakPolarHBondContact OD2-CB 3.3Å; D306-T309 PolarHBondContact OD2-OG1 2.96Å; T309-S313 WeakPolarHBondContact O-CB 3.21Å; T309-S313 PolarHBondContact O-N 3.13Å; T309-S313 VanDerWaalsContact O-N 3.13Å
310	V	98.9	Very high	98.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-48	-179.9	176.9	0	0	0	0	111.1	V270 L299 W305 T307 E308 K312 S313 V314 I336 V340	V270-V310 HydrophobicContact CG2-CG1 4.07Å; V270-V310 HydrophobicContact CG2-CG2 4.25Å; L299-V310 HydrophobicContact CD1-CG2 4.15Å; W305-V310 HydrophobicContact CE3-CG2 4.39Å; W305-V310 HydrophobicContact CZ3-CB 3.98Å; W305-V310 HydrophobicContact CZ3-CG1 4.32Å; W305-V310 HydrophobicContact CZ3-CG2 4.02Å; T307-V310 PolarHBondContact O-N 2.87Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.35Å; V310-K312 PolarHBondContact O-N 3.41Å; V310-S313 WeakPolarHBondContact O-CB 3.4Å; V310-S313 PolarHBondContact O-N 3.36Å; V310-V314 HydrophobicContact CG1-CG2 4.43Å; V310-V314 WeakPolarHBondContact O-CG2 3.42Å; V310-V314 PolarHBondContact O-N 3.14Å; V310-I336 HydrophobicContact CG1-CG2 4.25Å; V310-V340 HydrophobicContact CG1-CG2 3.79Å
311	C	98.9	Very high	98.8	Very high	15 Å²	15	35.9 Å²	35.9	10%	0.101	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-41.6	-179.5	-66.8	0	0	0	0	111.5	T307 E308 S313 V314 V315	T307-C311 VanDerWaalsContact O-CB 3.3Å; T307-C311 WeakPolarHBondContact O-CB 3.24Å; T307-C311 PolarHBondContact O-N 3.23Å; T307-C311 PolarHBondContact O-SG 3.31Å; E308-C311 PolarHBondContact O-N 2.89Å; C311-S313 VanDerWaalsContact C-N 3.29Å; C311-S313 PolarHBondContact O-N 2.81Å; C311-V314 PolarHBondContact O-N 2.72Å; C311-V314 VanDerWaalsContact O-N 3.15Å; C311-V315 WeakPolarHBondContact O-CG2 3.3Å; C311-V315 PolarHBondContact O-N 2.73Å
312	K	98.9	Very high	98.8	Very high	158 Å²	158	35.9 Å²	35.9	69%	0.687	18%	0.182	S	C	*	.	H	α-helix	trans	-57.5	-43.3	175.1	-178	-177.8	177.8	-176.3	0	112	E308 V310 K316	E308-K312 VanDerWaalsContact O-CB 3.23Å; E308-K312 WeakPolarHBondContact O-CB 3.26Å; E308-K312 PolarHBondContact O-N 2.88Å; V310-K312 PolarHBondContact O-N 3.41Å; K312-K316 PolarHBondContact O-N 3.44Å
313	S	98.9	Very high	98.8	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.021	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-44	175.7	169.7	0	0	0	0	111.9	T268 E295 I297 T309 V310 C311 K316 T317	T268-S313 WeakPolarHBondContact CB-OG 3.25Å; T268-S313 WeakPolarHBondContact CG2-OG 3.48Å; T268-S313 PolarHBondContact OG1-O 3.33Å; T268-S313 PolarHBondContact OG1-OG 2.6Å; E295-S313 WeakPolarHBondContact OE1-CB 3.43Å; E295-S313 PolarHBondContact OE1-OG 3.18Å; I297-S313 VanDerWaalsContact CD1-CB 3.49Å; I297-S313 WeakPolarHBondContact CD1-OG 3.24Å; T309-S313 WeakPolarHBondContact O-CB 3.21Å; T309-S313 PolarHBondContact O-N 3.13Å; T309-S313 VanDerWaalsContact O-N 3.13Å; V310-S313 WeakPolarHBondContact O-CB 3.4Å; V310-S313 PolarHBondContact O-N 3.36Å; C311-S313 VanDerWaalsContact C-N 3.29Å; C311-S313 PolarHBondContact O-N 2.81Å; S313-K316 WeakPolarHBondContact O-CB 3.48Å; S313-K316 PolarHBondContact O-N 2.91Å; S313-K316 VanDerWaalsContact O-N 3.15Å; S313-T317 WeakPolarHBondContact O-CG2 3.34Å; S313-T317 PolarHBondContact O-N 3.34Å; S313-T317 PolarHBondContact O-OG1 3.38Å
314	V	98.9	Very high	98.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.4	-36.3	-179.9	176.1	0	0	0	0	112.2	T268 V310 C311 K316 T317 G318 L320 V340 C344 L348	T268-V314 HydrophobicContact CG2-CG2 4.2Å; V310-V314 HydrophobicContact CG1-CG2 4.43Å; V310-V314 WeakPolarHBondContact O-CG2 3.42Å; V310-V314 PolarHBondContact O-N 3.14Å; C311-V314 PolarHBondContact O-N 2.72Å; C311-V314 VanDerWaalsContact O-N 3.15Å; V314-K316 PolarHBondContact O-N 2.86Å; V314-T317 PolarHBondContact O-N 2.78Å; V314-G318 WeakPolarHBondContact O-CA 3.45Å; V314-G318 PolarHBondContact O-N 3Å; V314-L320 HydrophobicContact CG2-CB 3.89Å; V314-L320 HydrophobicContact CG2-CD1 4.06Å; V314-L320 HydrophobicContact CG2-CD2 4.09Å; V314-L320 HydrophobicContact CG2-CG 4.22Å; V314-V340 HydrophobicContact CB-CG1 4.07Å; V314-V340 HydrophobicContact CG1-CG1 3.72Å; V314-V340 HydrophobicContact CG2-CG1 3.96Å; V314-C344 HydrophobicContact CG1-CB 4.02Å; V314-L348 HydrophobicContact CG1-CD2 3.81Å
315	V	98.9	Very high	98.9	Very high	73 Å²	73	31.5 Å²	31.5	44%	0.442	16%	0.155	S	C	.	.	H	α-helix	trans	-58.6	-36	171.6	166.5	0	0	0	0	111.2	C311	C311-V315 WeakPolarHBondContact O-CG2 3.3Å; C311-V315 PolarHBondContact O-N 2.73Å
316	K	98.8	Very high	98.9	Very high	94 Å²	94	30.3 Å²	30.3	41%	0.409	15%	0.151	S	C	.	.	H	α-helix	trans	-71.9	-43.5	177.6	-179.9	177.6	65.6	-179.2	0	112.5	E263 G264 E295 K312 S313 V314	E263-K316 IonicContact OE2-NZ 3.89Å; E263-K316 PolarHBondContact OE2-NZ 3.38Å; G264-K316 WeakPolarHBondContact O-CE 3.36Å; E295-K316 VanDerWaalsContact OE1-CE 3.28Å; E295-K316 WeakPolarHBondContact OE1-CE 3.25Å; E295-K316 IonicContact OE1-NZ 2.92Å; E295-K316 PolarHBondContact OE1-NZ 3Å; E295-K316 WeakPolarHBondContact OE2-CE 3.49Å; E295-K316 IonicContact OE2-NZ 3.59Å; E295-K316 PolarHBondContact OE2-NZ 3.4Å; K312-K316 PolarHBondContact O-N 3.44Å; S313-K316 WeakPolarHBondContact O-CB 3.48Å; S313-K316 PolarHBondContact O-N 2.91Å; S313-K316 VanDerWaalsContact O-N 3.15Å; V314-K316 PolarHBondContact O-N 2.86Å
317	T	98.9	Very high	98.9	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.043	17%	0.165	C	C	.	.	H	α-helix	trans	-97.7	-20.5	-170.2	63.4	0	0	0	0	114.7	S265 T268 E295 S313 V314 R319	S265-T317 WeakPolarHBondContact O-CA 3.31Å; T268-T317 PolarHBondContact N-OG1 3.04Å; T268-T317 WeakPolarHBondContact OG1-CG2 3.42Å; T268-T317 PolarHBondContact OG1-OG1 2.66Å; E295-T317 HydrophobicContact CB-CG2 4.39Å; S313-T317 WeakPolarHBondContact O-CG2 3.34Å; S313-T317 PolarHBondContact O-N 3.34Å; S313-T317 PolarHBondContact O-OG1 3.38Å; V314-T317 PolarHBondContact O-N 2.78Å; T317-R319 PolarHBondContact O-N 3.3Å; T317-R319 VanDerWaalsContact O-N 3.15Å; T317-R319 PolarHBondContact OG1-O 3.35Å; T317-R319 VanDerWaalsContact OG1-O 3.08Å
318	G	98.8	Very high	98.9	Very high	5 Å²	5	32 Å²	32	5%	0.052	16%	0.162	C	C	.	.	S	Bend	trans	68.2	1.7	-176	0	0	0	0	0	115.4	V314 N347 L348 E349	V314-G318 WeakPolarHBondContact O-CA 3.45Å; V314-G318 PolarHBondContact O-N 3Å; G318-N347 WeakPolarHBondContact CA-O 3.5Å; G318-L348 CarbonylContact O-C 3.57Å; G318-L348 WeakPolarHBondContact O-CA 3.37Å; G318-E349 PolarHBondContact O-N 3.18Å
319	R	98.9	Very high	98.9	Very high	35 Å²	35	29.4 Å²	29.4	13%	0.132	16%	0.158	C	C	.	.			trans	-142.1	146.7	-176.8	-61.5	177.7	-178.2	69	6.8	111.1	L267 T268 T317 E349 A350 M384	L267-R319 HydrophobicContact CD1-CB 3.58Å; T268-R319 WeakPolarHBondContact CB-O 3.49Å; T268-R319 PolarHBondContact N-O 3.45Å; T317-R319 PolarHBondContact O-N 3.3Å; T317-R319 VanDerWaalsContact O-N 3.15Å; T317-R319 PolarHBondContact OG1-O 3.35Å; T317-R319 VanDerWaalsContact OG1-O 3.08Å; R319-E349 HydrophobicContact CG-CB 4.36Å; R319-E349 IonicContact CZ-OE2 2.74Å; R319-E349 IonicContact NH1-OE2 2.94Å; R319-E349 PolarHBondContact NH1-OE2 2.72Å; R319-E349 IonicContact NH2-OE2 3.85Å; R319-E349 PolarHBondContact NH2-OE2 3.4Å; R319-A350 HydrophobicContact CG-CB 4.34Å; R319-M384 HydrophobicContact CB-SD 4.12Å
320	L	98.9	Very high	98.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	130.8	179.1	177	62	0	0	0	111.8	T268 V270 V314 I322 I336 V340 I352 A353	T268-L320 HydrophobicContact CG2-CD1 3.77Å; T268-L320 WeakPolarHBondContact O-CA 3.44Å; V270-L320 HydrophobicContact CB-CD1 4.37Å; V270-L320 HydrophobicContact CG2-CD1 3.67Å; V314-L320 HydrophobicContact CG2-CB 3.89Å; V314-L320 HydrophobicContact CG2-CD1 4.06Å; V314-L320 HydrophobicContact CG2-CD2 4.09Å; V314-L320 HydrophobicContact CG2-CG 4.22Å; L320-I322 HydrophobicContact CD1-CG1 4.06Å; L320-I322 HydrophobicContact CD2-CD1 3.87Å; L320-I322 HydrophobicContact CD2-CG1 3.9Å; L320-I322 HydrophobicContact CG-CD1 4.27Å; L320-I322 HydrophobicContact CG-CG1 3.87Å; L320-I336 HydrophobicContact CD2-CG2 4.34Å; L320-V340 HydrophobicContact CD2-CB 4.02Å; L320-V340 HydrophobicContact CD2-CG1 3.83Å; L320-V340 HydrophobicContact CD2-CG2 3.89Å; L320-I352 HydrophobicContact CB-CG1 4.21Å; L320-I352 HydrophobicContact CB-CG2 4.06Å; L320-I352 HydrophobicContact CD2-CD1 4.29Å; L320-I352 HydrophobicContact CD2-CG1 4.47Å; L320-I352 HydrophobicContact CD2-CG2 3.82Å; L320-I352 HydrophobicContact CG-CG2 3.88Å; L320-I352 WeakPolarHBondContact O-CA 3.49Å; L320-A353 PolarHBondContact O-N 3.08Å
321	L	98.9	Very high	98.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	129.3	162.5	-178.2	156.8	0	0	0	109.9	T268 L269 V270 M279 A353 V355 A380 I381 M384	T268-L321 PolarHBondContact O-N 3.35Å; L269-L321 WeakPolarHBondContact CA-O 3.26Å; L269-L321 HydrophobicContact CD2-CB 3.84Å; L269-L321 HydrophobicContact CD2-CD2 4.24Å; L269-L321 HydrophobicContact CD2-CG 4.46Å; V270-L321 PolarHBondContact N-O 3.37Å; M279-L321 HydrophobicContact SD-CD2 4.05Å; L321-A353 WeakPolarHBondContact CA-O 3.5Å; L321-A353 HydrophobicContact CB-CB 4.16Å; L321-A353 HydrophobicContact CD1-CB 4.22Å; L321-A353 HydrophobicContact CG-CB 4.06Å; L321-V355 HydrophobicContact CD1-CG2 4.02Å; L321-V355 HydrophobicContact CD2-CG2 4.4Å; L321-V355 HydrophobicContact CG-CG2 4.26Å; L321-A380 HydrophobicContact CD1-CB 3.75Å; L321-I381 HydrophobicContact CD1-CG1 3.8Å; L321-M384 HydrophobicContact CB-CE 3.9Å; L321-M384 HydrophobicContact CD1-CE 4.37Å
322	I	98.9	Very high	98.8	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.8	176.7	-49.9	148.4	0	0	0	108.6	V270 W272 L320 A333 I336 I352 A353 R354 V355	V270-I322 HydrophobicContact CB-CG1 4.45Å; V270-I322 HydrophobicContact CB-CG2 4.47Å; V270-I322 WeakPolarHBondContact O-CA 3.45Å; W272-I322 HydrophobicContact CH2-CG2 4.39Å; W272-I322 HydrophobicContact CZ3-CG2 4.27Å; L320-I322 HydrophobicContact CD1-CG1 4.06Å; L320-I322 HydrophobicContact CD2-CD1 3.87Å; L320-I322 HydrophobicContact CD2-CG1 3.9Å; L320-I322 HydrophobicContact CG-CD1 4.27Å; L320-I322 HydrophobicContact CG-CG1 3.87Å; I322-A333 HydrophobicContact CB-CB 3.98Å; I322-A333 HydrophobicContact CD1-CB 4.47Å; I322-A333 WeakPolarHBondContact CD1-O 3.23Å; I322-A333 HydrophobicContact CG2-CB 3.53Å; I322-I336 HydrophobicContact CD1-CB 3.86Å; I322-I336 HydrophobicContact CD1-CG2 3.7Å; I322-I336 HydrophobicContact CG1-CG2 4.05Å; I322-I336 HydrophobicContact CG2-CD1 4.12Å; I322-I352 HydrophobicContact CD1-CG2 3.85Å; I322-A353 PolarHBondContact N-O 3.1Å; I322-R354 WeakPolarHBondContact O-CA 3.34Å; I322-V355 PolarHBondContact O-N 2.68Å
323	S	98.9	Very high	98.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	137	179.4	-167.1	0	0	0	0	113.2	V270 A271 Q275 V355	V270-S323 PolarHBondContact O-N 3.04Å; A271-S323 WeakPolarHBondContact CA-O 3.33Å; A271-S323 VanDerWaalsContact CB-O 3.29Å; A271-S323 WeakPolarHBondContact CB-O 3.43Å; Q275-S323 PolarHBondContact NE2-OG 3.22Å; S323-V355 VanDerWaalsContact CA-O 3.26Å; S323-V355 WeakPolarHBondContact CA-O 3.3Å; S323-V355 WeakPolarHBondContact CB-O 3.09Å; S323-V355 PolarHBondContact OG-O 3.44Å
324	H	98.9	Very high	98.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	151.4	179	68.3	130.8	0	0	0	111.5	E196 W272 A326 C356 G357 P372	E196-H324 IonicContact OE1-ND1 3.44Å; W272-H324 HydrophobicContact CH2-CB 4.01Å; W272-H324 HydrophobicContact CZ2-CB 3.38Å; W272-H324 AromaticContact CZ2-CG 3.67Å; W272-H324 AromaticContact CZ2-ND1 3.74Å; H324-A326 VanDerWaalsContact C-N 3.32Å; H324-A326 PolarHBondContact O-N 3.48Å; H324-C356 PolarHBondContact CD2-SG 3.3Å; H324-C356 PolarHBondContact NE2-SG 3Å; H324-C356 VanDerWaalsContact O-CA 3.25Å; H324-C356 WeakPolarHBondContact O-CA 3.27Å; H324-G357 PolarHBondContact O-N 3.05Å; H324-P372 WeakPolarHBondContact O-CG 3.18Å
325	E	98.8	Very high	98.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-25	-173.2	-63.7	177.3	-145.7	0	0	114.2	C183	C183-E325 WeakPolarHBondContact CB-OE2 3.22Å; C183-E325 PolarHBondContact N-OE2 3.11Å; C183-E325 PolarHBondContact SG-OE2 3.07Å
326	A	98.8	Very high	98.8	Very high	5 Å²	5	26.1 Å²	26.1	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	161.3	-179.2	0	0	0	0	0	112.2	S194 H324 C356 G357	S194-A326 WeakPolarHBondContact O-CB 3.46Å; H324-A326 VanDerWaalsContact C-N 3.32Å; H324-A326 PolarHBondContact O-N 3.48Å; A326-C356 WeakPolarHBondContact O-CB 3.29Å; A326-G357 WeakPolarHBondContact O-CA 3.37Å; A326-G357 PolarHBondContact O-N 2.95Å
327	P	98.9	Very high	98.9	Very high	50 Å²	50	22.9 Å²	22.9	33%	0.325	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	146.9	174.1	-28.2	36.9	0	0	0	113.7	G357	P327-G357 WeakPolarHBondContact CA-O 3.32Å
328	V	98.8	Very high	98.9	Very high	37 Å²	37	24.9 Å²	24.9	22%	0.224	16%	0.164	C	C	.	.	S	Bend	trans	-67.2	-37.2	-177	63.3	0	0	0	0	113.1	R354 C356 G357 D359	V328-R354 PolarHBondContact O-NH1 3.19Å; V328-C356 HydrophobicContact CB-CB 3.89Å; V328-C356 HydrophobicContact CG2-CB 4.36Å; V328-G357 PolarHBondContact N-O 3.23Å; V328-D359 WeakPolarHBondContact CG1-OD1 3.49Å; V328-D359 WeakPolarHBondContact CG1-OD2 3.34Å; V328-D359 PolarHBondContact N-OD1 3.22Å
329	T	98.9	Very high	98.9	Very high	102 Å²	102	25.6 Å²	25.6	63%	0.626	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	124.7	-177.7	-67.7	0	0	0	0	110.7	G331 D359	T329-G331 PolarHBondContact O-N 2.7Å; T329-G331 VanDerWaalsContact O-N 3.15Å; T329-D359 VanDerWaalsContact CB-OD1 3.26Å; T329-D359 WeakPolarHBondContact CB-OD1 3.35Å; T329-D359 WeakPolarHBondContact CB-OD2 3.33Å; T329-D359 PolarHBondContact N-OD1 3.36Å; T329-D359 VanDerWaalsContact OG1-CG 3.29Å; T329-D359 PolarHBondContact OG1-OD1 3.19Å; T329-D359 PolarHBondContact OG1-OD2 3.19Å
330	G	98.3	Very high	98.9	Very high	66 Å²	66	23.9 Å²	23.9	68%	0.68	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	0.6	-175.1	0	0	0	0	0	114.4	A197	A197-G330 WeakPolarHBondContact CB-O 3.49Å
331	G	98.7	Very high	98.9	Very high	4 Å²	4	27.8 Å²	27.8	4%	0.041	18%	0.179	C	C	.	.			trans	-64.8	153.5	176	0	0	0	0	0	112.9	T329 A333 A334	T329-G331 PolarHBondContact O-N 2.7Å; T329-G331 VanDerWaalsContact O-N 3.15Å; G331-A333 PolarHBondContact O-N 2.56Å; G331-A333 VanDerWaalsContact O-N 3.07Å; G331-A334 VanDerWaalsContact O-CB 3.26Å; G331-A334 WeakPolarHBondContact O-CB 3.34Å; G331-A334 PolarHBondContact O-N 3.12Å
332	F	98.9	Very high	98.9	Very high	9 Å²	9	34.1 Å²	34.1	4%	0.039	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.1	-173.6	-165	-109.8	0	0	0	114.2	A197 A200 W272 L299 I302 W305 A334 E335 I336	A197-F332 HydrophobicContact CB-CB 4.47Å; A200-F332 HydrophobicContact CB-CD2 3.48Å; A200-F332 VanDerWaalsContact CB-CD2 3.48Å; A200-F332 HydrophobicContact CB-CE2 3.65Å; W272-F332 HydrophobicContact CH2-CB 4.06Å; W272-F332 AromaticContact CH2-CD1 3.79Å; W272-F332 HydrophobicContact CH2-CD1 3.79Å; W272-F332 HydrophobicContact CH2-CG 4.42Å; W272-F332 HydrophobicContact CZ2-CB 4Å; W272-F332 HydrophobicContact CZ2-CD1 4.26Å; W272-F332 HydrophobicContact CZ3-CD1 4.26Å; L299-F332 HydrophobicContact CD2-CD1 4.23Å; L299-F332 HydrophobicContact CD2-CE1 3.83Å; I302-F332 HydrophobicContact CD1-CD1 4.22Å; I302-F332 HydrophobicContact CG2-CB 4.49Å; I302-F332 HydrophobicContact CG2-CD1 3.75Å; I302-F332 HydrophobicContact CG2-CD2 3.77Å; I302-F332 HydrophobicContact CG2-CE1 3.84Å; I302-F332 HydrophobicContact CG2-CE2 3.86Å; I302-F332 HydrophobicContact CG2-CG 3.72Å; I302-F332 HydrophobicContact CG2-CZ 3.9Å; I302-F332 WeakPolarHBondContact O-CZ 3.2Å; W305-F332 HydrophobicContact CB-CE1 4.2Å; W305-F332 HydrophobicContact CB-CZ 4.11Å; W305-F332 AromaticContact CD1-CZ 3.65Å; W305-F332 HydrophobicContact CG-CE1 4.19Å; W305-F332 AromaticContact CG-CZ 3.87Å; W305-F332 HydrophobicContact CG-CZ 3.87Å; F332-A334 PolarHBondContact O-N 3.48Å; F332-A334 VanDerWaalsContact O-N 3.14Å; F332-E335 HydrophobicContact CD2-CB 4.07Å; F332-E335 HydrophobicContact CE2-CB 3.9Å; F332-E335 HydrophobicContact CE2-CG 3.9Å; F332-E335 HydrophobicContact CZ-CB 4.39Å; F332-E335 HydrophobicContact CZ-CG 4.24Å; F332-E335 WeakPolarHBondContact O-CB 3.16Å; F332-E335 PolarHBondContact O-N 2.88Å; F332-E335 VanDerWaalsContact O-N 3.09Å; F332-I336 HydrophobicContact CD1-CD1 3.8Å; F332-I336 HydrophobicContact CD1-CG1 4.06Å; F332-I336 HydrophobicContact CE1-CD1 3.87Å; F332-I336 HydrophobicContact CE1-CG1 3.83Å; F332-I336 PolarHBondContact O-N 3.33Å
333	A	98.9	Very high	98.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-22.6	170	0	0	0	0	0	113.6	I322 G331 S337 R354	I322-A333 HydrophobicContact CB-CB 3.98Å; I322-A333 HydrophobicContact CD1-CB 4.47Å; I322-A333 WeakPolarHBondContact CD1-O 3.23Å; I322-A333 HydrophobicContact CG2-CB 3.53Å; G331-A333 PolarHBondContact O-N 2.56Å; G331-A333 VanDerWaalsContact O-N 3.07Å; A333-S337 WeakPolarHBondContact O-CB 3.49Å; A333-S337 PolarHBondContact O-N 2.81Å; A333-R354 HydrophobicContact CB-CB 4.47Å; A333-R354 HydrophobicContact CB-CG 4.12Å; A333-R354 WeakPolarHBondContact O-CD 3.15Å
334	A	98.9	Very high	98.8	Very high	38 Å²	38	40.4 Å²	40.4	31%	0.314	24%	0.238	S	C	.	.	H	α-helix	trans	-69.1	-39.8	173.9	0	0	0	0	0	112.4	G331 F332 S337 S338	G331-A334 VanDerWaalsContact O-CB 3.26Å; G331-A334 WeakPolarHBondContact O-CB 3.34Å; G331-A334 PolarHBondContact O-N 3.12Å; F332-A334 PolarHBondContact O-N 3.48Å; F332-A334 VanDerWaalsContact O-N 3.14Å; A334-S337 PolarHBondContact O-N 2.78Å; A334-S338 WeakPolarHBondContact O-CB 3.31Å; A334-S338 PolarHBondContact O-N 3.33Å; A334-S338 PolarHBondContact O-OG 2.95Å
335	E	98.9	Very high	98.8	Very high	95 Å²	95	46.5 Å²	46.5	44%	0.444	27%	0.265	S	S	.	.	H	α-helix	trans	-65.5	-47.7	177.7	-176.2	63.1	-161.9	0	0	110.9	F332 S337 S338 T339	F332-E335 HydrophobicContact CD2-CB 4.07Å; F332-E335 HydrophobicContact CE2-CB 3.9Å; F332-E335 HydrophobicContact CE2-CG 3.9Å; F332-E335 HydrophobicContact CZ-CB 4.39Å; F332-E335 HydrophobicContact CZ-CG 4.24Å; F332-E335 WeakPolarHBondContact O-CB 3.16Å; F332-E335 PolarHBondContact O-N 2.88Å; F332-E335 VanDerWaalsContact O-N 3.09Å; E335-S337 VanDerWaalsContact C-N 3.35Å; E335-S337 PolarHBondContact O-N 2.88Å; E335-S338 PolarHBondContact O-N 2.98Å; E335-S338 PolarHBondContact O-OG 2.79Å; E335-T339 WeakPolarHBondContact O-CB 3.08Å; E335-T339 PolarHBondContact O-N 3.13Å; E335-T339 PolarHBondContact O-OG1 3Å
336	I	98.9	Very high	98.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-46	176.9	-59.1	168.7	0	0	0	110.1	V270 W272 L299 W305 V310 L320 I322 F332 S338 V340	V270-I336 HydrophobicContact CG1-CD1 4.3Å; W272-I336 HydrophobicContact CH2-CD1 3.92Å; W272-I336 HydrophobicContact CZ3-CD1 3.53Å; L299-I336 HydrophobicContact CD2-CD1 3.72Å; W305-I336 HydrophobicContact CD2-CG1 4.48Å; W305-I336 HydrophobicContact CE3-CG1 4.28Å; W305-I336 HydrophobicContact CH2-CB 4.41Å; W305-I336 HydrophobicContact CH2-CG1 4.4Å; W305-I336 HydrophobicContact CH2-CG2 4.19Å; W305-I336 HydrophobicContact CZ3-CG1 4.22Å; W305-I336 HydrophobicContact CZ3-CG2 4.08Å; V310-I336 HydrophobicContact CG1-CG2 4.25Å; L320-I336 HydrophobicContact CD2-CG2 4.34Å; I322-I336 HydrophobicContact CD1-CB 3.86Å; I322-I336 HydrophobicContact CD1-CG2 3.7Å; I322-I336 HydrophobicContact CG1-CG2 4.05Å; I322-I336 HydrophobicContact CG2-CD1 4.12Å; F332-I336 HydrophobicContact CD1-CD1 3.8Å; F332-I336 HydrophobicContact CD1-CG1 4.06Å; F332-I336 HydrophobicContact CE1-CD1 3.87Å; F332-I336 HydrophobicContact CE1-CG1 3.83Å; F332-I336 PolarHBondContact O-N 3.33Å; I336-S338 PolarHBondContact O-N 2.95Å; I336-V340 HydrophobicContact CG2-CG2 4.22Å; I336-V340 WeakPolarHBondContact O-CB 3.03Å; I336-V340 VanDerWaalsContact O-CG2 3.23Å; I336-V340 WeakPolarHBondContact O-CG2 3.28Å; I336-V340 PolarHBondContact O-N 3.3Å
337	S	98.9	Very high	98.8	Very high	25 Å²	25	56.9 Å²	56.9	18%	0.175	32%	0.319	C	S	.	.	H	α-helix	trans	-63.5	-40.3	-178.9	-179.3	0	0	0	0	112.8	A333 A334 E335 Q341 I352	A333-S337 WeakPolarHBondContact O-CB 3.49Å; A333-S337 PolarHBondContact O-N 2.81Å; A334-S337 PolarHBondContact O-N 2.78Å; E335-S337 VanDerWaalsContact C-N 3.35Å; E335-S337 PolarHBondContact O-N 2.88Å; S337-Q341 VanDerWaalsContact O-CB 3.28Å; S337-Q341 WeakPolarHBondContact O-CB 3.48Å; S337-Q341 PolarHBondContact O-N 3.31Å; S337-Q341 VanDerWaalsContact O-N 3.09Å; S337-I352 VanDerWaalsContact O-CD1 3.26Å; S337-I352 WeakPolarHBondContact O-CD1 3.21Å; S337-I352 WeakPolarHBondContact OG-CG2 3.29Å
338	S	98.9	Very high	98.8	Very high	49 Å²	49	56.6 Å²	56.6	34%	0.343	31%	0.314	S	S	.	.	H	α-helix	trans	-70.9	-48.1	179.5	45.6	0	0	0	0	110.9	A334 E335 I336 V340 Q341 E342	A334-S338 WeakPolarHBondContact O-CB 3.31Å; A334-S338 PolarHBondContact O-N 3.33Å; A334-S338 PolarHBondContact O-OG 2.95Å; E335-S338 PolarHBondContact O-N 2.98Å; E335-S338 PolarHBondContact O-OG 2.79Å; I336-S338 PolarHBondContact O-N 2.95Å; S338-V340 PolarHBondContact O-N 3.43Å; S338-Q341 WeakPolarHBondContact O-CB 3.28Å; S338-Q341 PolarHBondContact O-N 3.19Å; S338-Q341 VanDerWaalsContact O-N 3.09Å; S338-E342 WeakPolarHBondContact O-CG 3.46Å; S338-E342 PolarHBondContact O-N 2.84Å
339	T	98.9	Very high	98.8	Very high	20 Å²	20	60.3 Å²	60.3	12%	0.123	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-46.2	178.1	-55	0	0	0	0	111.9	W305 T307 E335 Q341 E342 E343	W305-T339 HydrophobicContact CH2-CG2 3.97Å; W305-T339 HydrophobicContact CZ2-CG2 3.64Å; T307-T339 HydrophobicContact CG2-CG2 3.59Å; E335-T339 WeakPolarHBondContact O-CB 3.08Å; E335-T339 PolarHBondContact O-N 3.13Å; E335-T339 PolarHBondContact O-OG1 3Å; T339-Q341 VanDerWaalsContact C-N 3.29Å; T339-Q341 PolarHBondContact O-N 3.35Å; T339-E342 PolarHBondContact O-N 2.98Å; T339-E343 HydrophobicContact CG2-CG 4.22Å; T339-E343 WeakPolarHBondContact O-CB 3.06Å; T339-E343 WeakPolarHBondContact O-CG 3.19Å; T339-E343 PolarHBondContact O-N 3.08Å
340	V	98.9	Very high	98.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-35.3	177.4	170.8	0	0	0	0	111.3	V310 V314 L320 I336 S338 E342 C344 I352	V310-V340 HydrophobicContact CG1-CG2 3.79Å; V314-V340 HydrophobicContact CB-CG1 4.07Å; V314-V340 HydrophobicContact CG1-CG1 3.72Å; V314-V340 HydrophobicContact CG2-CG1 3.96Å; L320-V340 HydrophobicContact CD2-CB 4.02Å; L320-V340 HydrophobicContact CD2-CG1 3.83Å; L320-V340 HydrophobicContact CD2-CG2 3.89Å; I336-V340 HydrophobicContact CG2-CG2 4.22Å; I336-V340 WeakPolarHBondContact O-CB 3.03Å; I336-V340 VanDerWaalsContact O-CG2 3.23Å; I336-V340 WeakPolarHBondContact O-CG2 3.28Å; I336-V340 PolarHBondContact O-N 3.3Å; S338-V340 PolarHBondContact O-N 3.43Å; V340-E342 VanDerWaalsContact C-N 3.29Å; V340-E342 PolarHBondContact O-N 3.29Å; V340-C344 HydrophobicContact CG1-CB 4.1Å; V340-C344 WeakPolarHBondContact O-CA 3.28Å; V340-C344 WeakPolarHBondContact O-CB 3.31Å; V340-C344 PolarHBondContact O-N 3.39Å; V340-I352 HydrophobicContact CB-CD1 4.02Å; V340-I352 HydrophobicContact CG1-CD1 3.82Å
341	Q	98.9	Very high	98.9	Very high	82 Å²	82	56.2 Å²	56.2	38%	0.383	29%	0.293	S	S	.	.	H	α-helix	trans	-63.5	-38.6	175.5	-175	-84.7	-0.1	0	0	111.6	S337 S338 T339 F345 L348 I352	S337-Q341 VanDerWaalsContact O-CB 3.28Å; S337-Q341 WeakPolarHBondContact O-CB 3.48Å; S337-Q341 PolarHBondContact O-N 3.31Å; S337-Q341 VanDerWaalsContact O-N 3.09Å; S338-Q341 WeakPolarHBondContact O-CB 3.28Å; S338-Q341 PolarHBondContact O-N 3.19Å; S338-Q341 VanDerWaalsContact O-N 3.09Å; T339-Q341 VanDerWaalsContact C-N 3.29Å; T339-Q341 PolarHBondContact O-N 3.35Å; Q341-F345 HydrophobicContact CG-CD2 4.49Å; Q341-F345 VanDerWaalsContact O-CA 3.25Å; Q341-F345 WeakPolarHBondContact O-CA 3.35Å; Q341-F345 VanDerWaalsContact O-CB 3.23Å; Q341-F345 WeakPolarHBondContact O-CB 3.31Å; Q341-F345 PolarHBondContact O-N 2.87Å; Q341-L348 HydrophobicContact CB-CD1 4.42Å; Q341-L348 HydrophobicContact CG-CD1 4.38Å; Q341-I352 HydrophobicContact CB-CD1 4.21Å
342	E	98.8	Very high	98.9	Very high	133 Å²	133	57.3 Å²	57.3	62%	0.621	30%	0.298	S	S	*	.	H	α-helix	trans	-69.3	-48.8	178.1	-69.4	171.3	178.1	0	0	111.1	S338 T339 V340	S338-E342 WeakPolarHBondContact O-CG 3.46Å; S338-E342 PolarHBondContact O-N 2.84Å; T339-E342 PolarHBondContact O-N 2.98Å; V340-E342 VanDerWaalsContact C-N 3.29Å; V340-E342 PolarHBondContact O-N 3.29Å
343	E	98.8	Very high	98.9	Very high	130 Å²	130	57.8 Å²	57.8	61%	0.607	30%	0.303	S	S	*	.	H	α-helix	trans	-80.9	-26.6	-173.3	-64.8	-59.7	144.4	0	0	113.7	T339	T339-E343 HydrophobicContact CG2-CG 4.22Å; T339-E343 WeakPolarHBondContact O-CB 3.06Å; T339-E343 WeakPolarHBondContact O-CG 3.19Å; T339-E343 PolarHBondContact O-N 3.08Å
344	C	98.8	Very high	98.9	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.007	32%	0.321	C	S	.	.	S	Bend	trans	-119.3	19.3	-175.1	-54.4	0	0	0	0	112.9	V314 V340 L346 N347 L348	V314-C344 HydrophobicContact CG1-CB 4.02Å; V340-C344 HydrophobicContact CG1-CB 4.1Å; V340-C344 WeakPolarHBondContact O-CA 3.28Å; V340-C344 WeakPolarHBondContact O-CB 3.31Å; V340-C344 PolarHBondContact O-N 3.39Å; C344-L346 VanDerWaalsContact C-N 3.26Å; C344-L346 PolarHBondContact O-N 2.95Å; C344-L346 VanDerWaalsContact O-N 3.09Å; C344-N347 WeakPolarHBondContact O-CB 3.36Å; C344-N347 PolarHBondContact O-N 2.98Å; C344-L348 PolarHBondContact O-N 3.25Å
345	F	98.9	Very high	98.9	Very high	129 Å²	129	61.4 Å²	61.4	57%	0.566	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-47	-45.9	-172.8	-175	-103.9	0	0	0	114	Q341 N347	Q341-F345 HydrophobicContact CG-CD2 4.49Å; Q341-F345 VanDerWaalsContact O-CA 3.25Å; Q341-F345 WeakPolarHBondContact O-CA 3.35Å; Q341-F345 VanDerWaalsContact O-CB 3.23Å; Q341-F345 WeakPolarHBondContact O-CB 3.31Å; Q341-F345 PolarHBondContact O-N 2.87Å; F345-N347 VanDerWaalsContact C-N 3.26Å; F345-N347 PolarHBondContact O-N 2.87Å
346	L	98.7	Very high	98.9	Very high	162 Å²	162	57.4 Å²	57.4	85%	0.848	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-75.7	-12.7	-176.2	-65	177.1	0	0	0	114	C344	C344-L346 VanDerWaalsContact C-N 3.26Å; C344-L346 PolarHBondContact O-N 2.95Å; C344-L346 VanDerWaalsContact O-N 3.09Å
347	N	98.8	Very high	98.9	Very high	62 Å²	62	57.5 Å²	57.5	33%	0.332	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-97.9	-16.6	-177.1	-60.5	88	0	0	0	112.5	G318 C344 F345 E349	G318-N347 WeakPolarHBondContact CA-O 3.5Å; C344-N347 WeakPolarHBondContact O-CB 3.36Å; C344-N347 PolarHBondContact O-N 2.98Å; F345-N347 VanDerWaalsContact C-N 3.26Å; F345-N347 PolarHBondContact O-N 2.87Å; N347-E349 PolarHBondContact O-N 3.47Å
348	L	98.9	Very high	98.9	Very high	44 Å²	44	62 Å²	62	23%	0.23	31%	0.308	C	S	.	.			trans	-72.9	111.2	-173.5	-69.9	173.1	0	0	0	111.8	V314 G318 Q341 C344 I352	V314-L348 HydrophobicContact CG1-CD2 3.81Å; G318-L348 CarbonylContact O-C 3.57Å; G318-L348 WeakPolarHBondContact O-CA 3.37Å; Q341-L348 HydrophobicContact CB-CD1 4.42Å; Q341-L348 HydrophobicContact CG-CD1 4.38Å; C344-L348 PolarHBondContact O-N 3.25Å; L348-I352 HydrophobicContact CD1-CD1 4.02Å; L348-I352 HydrophobicContact CD1-CG1 4.17Å; L348-I352 HydrophobicContact CD2-CD1 4.26Å; L348-I352 HydrophobicContact CD2-CG1 3.93Å
349	E	98.8	Very high	98.8	Very high	116 Å²	116	64 Å²	64	54%	0.542	32%	0.315	S	S	.	.	S	Bend	trans	-84.4	-17.5	175.6	-61.4	-163.2	171	0	0	112.7	G318 R319 N347 Y387	G318-E349 PolarHBondContact O-N 3.18Å; R319-E349 HydrophobicContact CG-CB 4.36Å; R319-E349 IonicContact CZ-OE2 2.74Å; R319-E349 IonicContact NH1-OE2 2.94Å; R319-E349 PolarHBondContact NH1-OE2 2.72Å; R319-E349 IonicContact NH2-OE2 3.85Å; R319-E349 PolarHBondContact NH2-OE2 3.4Å; N347-E349 PolarHBondContact O-N 3.47Å; E349-Y387 WeakPolarHBondContact O-CD1 3.4Å
350	A	98.8	Very high	98.8	Very high	5 Å²	5	66.4 Å²	66.4	4%	0.041	33%	0.329	C	S	.	.	S	Bend	trans	-147.3	157.8	177.1	0	0	0	0	0	110.8	R319 I352 M384 Y387	R319-A350 HydrophobicContact CG-CB 4.34Å; A350-I352 PolarHBondContact O-N 3.37Å; A350-M384 HydrophobicContact CB-CG 3.71Å; A350-Y387 HydrophobicContact CB-CD1 3.99Å; A350-Y387 HydrophobicContact CB-CG 4.06Å
351	P	98.9	Very high	98.8	Very high	77 Å²	77	71.1 Å²	71.1	50%	0.5	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-57.7	134.9	172.1	-22.7	33.3	0	0	0	111.2	A353 Y387	P351-A353 PolarHBondContact O-N 3.06Å; P351-Y387 HydrophobicContact CG-CD2 4.19Å; P351-Y387 HydrophobicContact CG-CE1 4.4Å; P351-Y387 HydrophobicContact CG-CE2 3.73Å
352	I	98.9	Very high	98.8	Very high	27 Å²	27	67.8 Å²	67.8	14%	0.138	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-58.4	126.6	176.4	-60.6	171.4	0	0	0	109.4	L320 I322 S337 V340 Q341 L348 A350	L320-I352 HydrophobicContact CB-CG1 4.21Å; L320-I352 HydrophobicContact CB-CG2 4.06Å; L320-I352 HydrophobicContact CD2-CD1 4.29Å; L320-I352 HydrophobicContact CD2-CG1 4.47Å; L320-I352 HydrophobicContact CD2-CG2 3.82Å; L320-I352 HydrophobicContact CG-CG2 3.88Å; L320-I352 WeakPolarHBondContact O-CA 3.49Å; I322-I352 HydrophobicContact CD1-CG2 3.85Å; S337-I352 VanDerWaalsContact O-CD1 3.26Å; S337-I352 WeakPolarHBondContact O-CD1 3.21Å; S337-I352 WeakPolarHBondContact OG-CG2 3.29Å; V340-I352 HydrophobicContact CB-CD1 4.02Å; V340-I352 HydrophobicContact CG1-CD1 3.82Å; Q341-I352 HydrophobicContact CB-CD1 4.21Å; L348-I352 HydrophobicContact CD1-CD1 4.02Å; L348-I352 HydrophobicContact CD1-CG1 4.17Å; L348-I352 HydrophobicContact CD2-CD1 4.26Å; L348-I352 HydrophobicContact CD2-CG1 3.93Å; A350-I352 PolarHBondContact O-N 3.37Å
353	A	98.9	Very high	98.8	Very high	19 Å²	19	62.5 Å²	62.5	16%	0.157	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	138.5	-179.2	0	0	0	0	0	111.4	L320 L321 I322 P351 M384	L320-A353 PolarHBondContact O-N 3.08Å; L321-A353 WeakPolarHBondContact CA-O 3.5Å; L321-A353 HydrophobicContact CB-CB 4.16Å; L321-A353 HydrophobicContact CD1-CB 4.22Å; L321-A353 HydrophobicContact CG-CB 4.06Å; I322-A353 PolarHBondContact N-O 3.1Å; P351-A353 PolarHBondContact O-N 3.06Å; A353-M384 HydrophobicContact CB-SD 4.16Å
354	R	98.9	Very high	98.8	Very high	97 Å²	97	61.5 Å²	61.5	37%	0.366	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.3	171.8	-59.3	-172.4	-61	129.2	2.5	109.5	I322 V328 A333	I322-R354 WeakPolarHBondContact O-CA 3.34Å; V328-R354 PolarHBondContact O-NH1 3.19Å; A333-R354 HydrophobicContact CB-CB 4.47Å; A333-R354 HydrophobicContact CB-CG 4.12Å; A333-R354 WeakPolarHBondContact O-CD 3.15Å
355	V	98.9	Very high	98.7	Very high	16 Å²	16	67.4 Å²	67.4	10%	0.097	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	98.7	177.8	-173.8	0	0	0	0	108.8	L321 I322 S323 P372 K376 A380	L321-V355 HydrophobicContact CD1-CG2 4.02Å; L321-V355 HydrophobicContact CD2-CG2 4.4Å; L321-V355 HydrophobicContact CG-CG2 4.26Å; I322-V355 PolarHBondContact O-N 2.68Å; S323-V355 VanDerWaalsContact CA-O 3.26Å; S323-V355 WeakPolarHBondContact CA-O 3.3Å; S323-V355 WeakPolarHBondContact CB-O 3.09Å; S323-V355 PolarHBondContact OG-O 3.44Å; V355-P372 HydrophobicContact CG1-CB 4.01Å; V355-P372 WeakPolarHBondContact O-CB 3.07Å; V355-K376 HydrophobicContact CG1-CB 3.86Å; V355-A380 HydrophobicContact CG2-CB 3.46Å; V355-A380 VanDerWaalsContact CG2-CB 3.46Å
356	C	98.9	Very high	98.7	Very high	12 Å²	12	67.4 Å²	67.4	8%	0.081	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	178.3	-169.3	-36.3	0	0	0	0	112.2	H324 A326 V328	H324-C356 PolarHBondContact CD2-SG 3.3Å; H324-C356 PolarHBondContact NE2-SG 3Å; H324-C356 VanDerWaalsContact O-CA 3.25Å; H324-C356 WeakPolarHBondContact O-CA 3.27Å; A326-C356 WeakPolarHBondContact O-CB 3.29Å; V328-C356 HydrophobicContact CB-CB 3.89Å; V328-C356 HydrophobicContact CG2-CB 4.36Å
357	G	98.7	Very high	98.7	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	155.2	162.2	0	0	0	0	0	111.6	H324 A326 P327 V328	H324-G357 PolarHBondContact O-N 3.05Å; A326-G357 WeakPolarHBondContact O-CA 3.37Å; A326-G357 PolarHBondContact O-N 2.95Å; P327-G357 WeakPolarHBondContact CA-O 3.32Å; V328-G357 PolarHBondContact N-O 3.23Å
358	Y	98.8	Very high	98.7	Very high	121 Å²	121	61 Å²	61	48%	0.475	32%	0.318	S	S	.	.			trans	-73.5	161.4	177.4	-62.4	-53.4	0	0	0	111.9	T360 F369 Y370 K376	Y358-T360 PolarHBondContact O-N 3.26Å; Y358-F369 VanDerWaalsContact CE2-O 3.22Å; Y358-F369 WeakPolarHBondContact CE2-O 3.38Å; Y358-Y370 HydrophobicContact CD2-CD2 4.27Å; Y358-Y370 WeakPolarHBondContact O-CE2 3.31Å; Y358-K376 VanDerWaalsContact OH-CE 3.29Å; Y358-K376 WeakPolarHBondContact OH-CE 3.5Å; Y358-K376 PolarHBondContact OH-NZ 2.93Å
359	D	98.8	Very high	98.7	Very high	91 Å²	91	65.9 Å²	65.9	49%	0.487	34%	0.337	S	S	.	.	S	Bend	trans	-76	63.7	173.3	-68.4	-32.9	0	0	0	111.5	V328 T329	V328-D359 WeakPolarHBondContact CG1-OD1 3.49Å; V328-D359 WeakPolarHBondContact CG1-OD2 3.34Å; V328-D359 PolarHBondContact N-OD1 3.22Å; T329-D359 VanDerWaalsContact CB-OD1 3.26Å; T329-D359 WeakPolarHBondContact CB-OD1 3.35Å; T329-D359 WeakPolarHBondContact CB-OD2 3.33Å; T329-D359 PolarHBondContact N-OD1 3.36Å; T329-D359 VanDerWaalsContact OG1-CG 3.29Å; T329-D359 PolarHBondContact OG1-OD1 3.19Å; T329-D359 PolarHBondContact OG1-OD2 3.19Å
360	T	98.8	Very high	98.7	Very high	69 Å²	69	60.8 Å²	60.8	42%	0.423	31%	0.313	S	S	.	.	S	Bend	trans	-140	158.3	174.4	67	0	0	0	0	109	Y358 Y370	Y358-T360 PolarHBondContact O-N 3.26Å; T360-Y370 WeakPolarHBondContact OG1-CE2 3.4Å
361	P	98.9	Very high	98.6	Very high	99 Å²	99	61 Å²	61	64%	0.643	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-53.1	150.1	159.6	-23.4	34.5	0	0	0	111	L189 P363	L189-P361 HydrophobicContact CD2-CB 4.22Å; L189-P361 HydrophobicContact CG-CB 4.09Å; P361-P363 WeakPolarHBondContact O-CD 3.1Å
362	F	98.7	Very high	98.6	Very high	13 Å²	13	57.3 Å²	57.3	6%	0.057	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-67.2	120.4	-179.2	-162	-70.4	0	0	0	110.4	C183 S188 L189 S192 E367 Y370 I371	C183-F362 HydrophobicContact CB-CE1 4.3Å; C183-F362 HydrophobicContact CB-CE2 3.65Å; C183-F362 HydrophobicContact CB-CZ 3.32Å; S188-F362 CarbonylContact C-O 3.52Å; L189-F362 WeakPolarHBondContact CA-O 3.48Å; L189-F362 WeakPolarHBondContact CD1-O 3.32Å; L189-F362 PolarHBondContact N-O 3.07Å; L189-F362 VanDerWaalsContact N-O 3.16Å; S192-F362 VanDerWaalsContact CB-CG 3.43Å; S192-F362 WeakPolarHBondContact OG-CE1 2.95Å; F362-E367 HydrophobicContact CE1-CB 3.95Å; F362-E367 VanDerWaalsContact CE1-CD 3.44Å; F362-E367 HydrophobicContact CE1-CG 3.59Å; F362-E367 WeakPolarHBondContact CE1-OE2 3.26Å; F362-E367 HydrophobicContact CZ-CB 4.45Å; F362-E367 HydrophobicContact CZ-CG 3.66Å; F362-Y370 AromaticContact CD2-CD1 3.84Å; F362-Y370 HydrophobicContact CD2-CD1 3.84Å; F362-Y370 AromaticContact CD2-CE1 3.4Å; F362-Y370 HydrophobicContact CD2-CE1 3.4Å; F362-Y370 AromaticContact CE2-CD1 3.59Å; F362-Y370 HydrophobicContact CE2-CD1 3.59Å; F362-Y370 AromaticContact CE2-CE1 3.44Å; F362-Y370 HydrophobicContact CE2-CE1 3.44Å; F362-Y370 VanDerWaalsContact CE2-CE1 3.44Å; F362-Y370 HydrophobicContact CG-CD1 4.47Å; F362-Y370 HydrophobicContact CG-CE1 4.25Å; F362-Y370 HydrophobicContact CZ-CD1 4Å; F362-Y370 HydrophobicContact CZ-CE1 4.31Å; F362-I371 HydrophobicContact CE2-CG2 4.36Å; F362-I371 HydrophobicContact CZ-CG2 4.03Å
363	P	98.4	Very high	98.6	Very high	22 Å²	22	57.6 Å²	57.6	14%	0.143	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-87	156.6	-171.5	33.6	-35.3	0	0	0	113.5	P361 F366 Y370	P361-P363 WeakPolarHBondContact O-CD 3.1Å; P363-F366 HydrophobicContact CB-CB 3.82Å; P363-F366 HydrophobicContact CB-CD2 4.18Å; P363-F366 HydrophobicContact CG-CB 3.82Å; P363-Y370 HydrophobicContact CG-CD2 4.19Å; P363-Y370 HydrophobicContact CG-CG 4.07Å
364	H	98.3	Very high	98.6	Very high	109 Å²	109	58.7 Å²	58.7	51%	0.505	29%	0.293	S	S	.	.	S	Bend	trans	-75.1	-78.5	172.3	-174	-112.6	0	0	0	112.1	H186 S188 F366 E367	H186-H364 PolarHBondContact O-CD2 2.82Å; S188-H364 WeakPolarHBondContact OG-CB 3.38Å; H364-F366 PolarHBondContact O-N 3.25Å; H364-E367 PolarHBondContact O-N 3.08Å
365	I	97.9	Very high	98.6	Very high	125 Å²	125	61 Å²	61	64%	0.641	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-19.6	-173.1	-162.4	60.5	0	0	0	113.1
366	F	98.4	Very high	98.6	Very high	128 Å²	128	62.5 Å²	62.5	56%	0.561	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	7.5	-178.3	-49.8	-66.4	0	0	0	113.4	P363 H364 P368 F369 Y370	P363-F366 HydrophobicContact CB-CB 3.82Å; P363-F366 HydrophobicContact CB-CD2 4.18Å; P363-F366 HydrophobicContact CG-CB 3.82Å; H364-F366 PolarHBondContact O-N 3.25Å; F366-P368 VanDerWaalsContact C-CD 3.44Å; F366-P368 VanDerWaalsContact C-N 3.31Å; F366-F369 HydrophobicContact CB-CD2 4.38Å; F366-F369 HydrophobicContact CD1-CD2 4.29Å; F366-F369 WeakPolarHBondContact O-CA 3.05Å; F366-F369 PolarHBondContact O-N 2.64Å; F366-Y370 PolarHBondContact O-N 2.89Å
367	E	98.4	Very high	98.5	Very high	4 Å²	4	62 Å²	62	2%	0.019	30%	0.303	C	S	.	.	H	α-helix	trans	-49.6	-45	177.3	177.2	166.2	165.8	0	0	113.1	C183 G185 H186 F362 H364 F369 Y370 I371	C183-E367 WeakPolarHBondContact CB-OE1 3.4Å; G185-E367 WeakPolarHBondContact CA-OE1 3.22Å; G185-E367 VanDerWaalsContact CA-OE2 3.31Å; G185-E367 WeakPolarHBondContact CA-OE2 3.4Å; G185-E367 PolarHBondContact N-OE1 3.02Å; G185-E367 PolarHBondContact N-OE2 3.48Å; H186-E367 PolarHBondContact N-OE2 3.3Å; F362-E367 HydrophobicContact CE1-CB 3.95Å; F362-E367 VanDerWaalsContact CE1-CD 3.44Å; F362-E367 HydrophobicContact CE1-CG 3.59Å; F362-E367 WeakPolarHBondContact CE1-OE2 3.26Å; F362-E367 HydrophobicContact CZ-CB 4.45Å; F362-E367 HydrophobicContact CZ-CG 3.66Å; H364-E367 PolarHBondContact O-N 3.08Å; E367-F369 PolarHBondContact O-N 3.35Å; E367-F369 VanDerWaalsContact O-N 3.12Å; E367-Y370 PolarHBondContact O-N 3.31Å; E367-I371 HydrophobicContact CG-CG2 4.11Å; E367-I371 PolarHBondContact O-N 2.79Å
368	P	98.1	Very high	98.6	Very high	85 Å²	85	62.4 Å²	62.4	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-61.3	-23.2	177.5	-24.7	35.7	0	0	0	114.8	F366	F366-P368 VanDerWaalsContact C-CD 3.44Å; F366-P368 VanDerWaalsContact C-N 3.31Å
369	F	98.4	Very high	98.6	Very high	147 Å²	147	60.3 Å²	60.3	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-91.8	-23.7	176.4	-57.3	-74.2	0	0	0	112	Y358 F366 E367 K376	Y358-F369 VanDerWaalsContact CE2-O 3.22Å; Y358-F369 WeakPolarHBondContact CE2-O 3.38Å; F366-F369 HydrophobicContact CB-CD2 4.38Å; F366-F369 HydrophobicContact CD1-CD2 4.29Å; F366-F369 WeakPolarHBondContact O-CA 3.05Å; F366-F369 PolarHBondContact O-N 2.64Å; E367-F369 PolarHBondContact O-N 3.35Å; E367-F369 VanDerWaalsContact O-N 3.12Å; F369-K376 PolarHBondContact O-NZ 3.27Å
370	Y	98.7	Very high	98.6	Very high	9 Å²	9	56.2 Å²	56.2	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-77.9	-51.6	-176.2	174.4	-89.8	0	0	0	112.4	Y358 T360 F362 P363 F366 E367 K376	Y358-Y370 HydrophobicContact CD2-CD2 4.27Å; Y358-Y370 WeakPolarHBondContact O-CE2 3.31Å; T360-Y370 WeakPolarHBondContact OG1-CE2 3.4Å; F362-Y370 AromaticContact CD2-CD1 3.84Å; F362-Y370 HydrophobicContact CD2-CD1 3.84Å; F362-Y370 AromaticContact CD2-CE1 3.4Å; F362-Y370 HydrophobicContact CD2-CE1 3.4Å; F362-Y370 AromaticContact CE2-CD1 3.59Å; F362-Y370 HydrophobicContact CE2-CD1 3.59Å; F362-Y370 AromaticContact CE2-CE1 3.44Å; F362-Y370 HydrophobicContact CE2-CE1 3.44Å; F362-Y370 VanDerWaalsContact CE2-CE1 3.44Å; F362-Y370 HydrophobicContact CG-CD1 4.47Å; F362-Y370 HydrophobicContact CG-CE1 4.25Å; F362-Y370 HydrophobicContact CZ-CD1 4Å; F362-Y370 HydrophobicContact CZ-CE1 4.31Å; P363-Y370 HydrophobicContact CG-CD2 4.19Å; P363-Y370 HydrophobicContact CG-CG 4.07Å; F366-Y370 PolarHBondContact O-N 2.89Å; E367-Y370 PolarHBondContact O-N 3.31Å; Y370-K376 PolarHBondContact O-NZ 3.09Å
371	I	98.4	Very high	98.5	Very high	9 Å²	9	53 Å²	53	5%	0.046	26%	0.261	C	S	.	.	S	Bend	trans	-60.6	147.9	-168	58.6	174.1	0	0	0	113	H48 F362 E367 D373 K376	H48-I371 HydrophobicContact CB-CD1 3.41Å; H48-I371 VanDerWaalsContact CB-CD1 3.41Å; H48-I371 VanDerWaalsContact CG-CD1 3.47Å; F362-I371 HydrophobicContact CE2-CG2 4.36Å; F362-I371 HydrophobicContact CZ-CG2 4.03Å; E367-I371 HydrophobicContact CG-CG2 4.11Å; E367-I371 PolarHBondContact O-N 2.79Å; I371-D373 HydrophobicContact CG1-CB 4.36Å; I371-D373 PolarHBondContact O-N 3.18Å; I371-K376 WeakPolarHBondContact O-CD 3.39Å; I371-K376 WeakPolarHBondContact O-CE 3.41Å; I371-K376 PolarHBondContact O-NZ 3.49Å
372	P	98.5	Very high	98.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.247	C	C	.	.			trans	-73.7	69.6	173.4	32.6	-37.1	0	0	0	110.8	Q275 H324 V355	Q275-P372 PolarHBondContact NE2-O 3.22Å; H324-P372 WeakPolarHBondContact O-CG 3.18Å; V355-P372 HydrophobicContact CG1-CB 4.01Å; V355-P372 WeakPolarHBondContact O-CB 3.07Å
373	D	98.5	Very high	98.5	Very high	34 Å²	34	59.3 Å²	59.3	18%	0.182	27%	0.274	C	S	.	.			trans	-66.4	173.7	-176.9	77	8.2	0	0	0	113.6	I371 W375 K376 C377	I371-D373 HydrophobicContact CG1-CB 4.36Å; I371-D373 PolarHBondContact O-N 3.18Å; D373-W375 PolarHBondContact O-N 3.27Å; D373-W375 WeakPolarHBondContact OD1-CA 2.97Å; D373-W375 WeakPolarHBondContact OD1-CB 3.46Å; D373-W375 PolarHBondContact OD1-N 3.32Å; D373-K376 PolarHBondContact O-N 3.3Å; D373-K376 WeakPolarHBondContact OD1-CG 3.25Å; D373-K376 PolarHBondContact OD1-N 2.77Å; D373-C377 PolarHBondContact O-N 3.37Å; D373-C377 VanDerWaalsContact O-N 3.08Å; D373-C377 PolarHBondContact O-SG 2.98Å
374	K	98.6	Very high	98.5	Very high	41 Å²	41	58.7 Å²	58.7	18%	0.178	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-30.2	178.7	66.6	-172.2	176.6	-170.2	0	113.9	V278 E281 V282 M285 F378	V278-K374 HydrophobicContact CG1-CB 4.04Å; E281-K374 VanDerWaalsContact CD-NZ 3.31Å; E281-K374 HydrophobicContact CG-CD 4.17Å; E281-K374 VanDerWaalsContact OE1-CD 3.29Å; E281-K374 WeakPolarHBondContact OE1-CD 3.46Å; E281-K374 WeakPolarHBondContact OE1-CE 3.29Å; E281-K374 IonicContact OE1-NZ 3.94Å; E281-K374 PolarHBondContact OE1-NZ 3.45Å; E281-K374 WeakPolarHBondContact OE2-CD 3.05Å; E281-K374 IonicContact OE2-NZ 2.8Å; E281-K374 PolarHBondContact OE2-NZ 2.88Å; V282-K374 HydrophobicContact CG2-CB 3.66Å; V282-K374 WeakPolarHBondContact CG2-O 3.05Å; M285-K374 HydrophobicContact SD-CB 4.32Å; M285-K374 HydrophobicContact SD-CD 4.12Å; M285-K374 HydrophobicContact SD-CG 4.34Å; K374-F378 WeakPolarHBondContact O-CB 3.38Å; K374-F378 PolarHBondContact O-N 3.48Å
375	W	98.6	Very high	98.5	Very high	146 Å²	146	55.5 Å²	55.5	55%	0.553	26%	0.255	S	S	*	.	H	α-helix	trans	-76.5	-41.7	-177.4	-59.5	115.1	0	0	0	111.2	M285 D373 C377 F378 D379	M285-W375 HydrophobicContact CE-CD2 4.44Å; M285-W375 HydrophobicContact CE-CE3 3.57Å; M285-W375 HydrophobicContact CE-CH2 3.97Å; M285-W375 HydrophobicContact CE-CZ3 3.29Å; D373-W375 PolarHBondContact O-N 3.27Å; D373-W375 WeakPolarHBondContact OD1-CA 2.97Å; D373-W375 WeakPolarHBondContact OD1-CB 3.46Å; D373-W375 PolarHBondContact OD1-N 3.32Å; W375-C377 VanDerWaalsContact C-N 3.31Å; W375-C377 PolarHBondContact O-N 2.93Å; W375-F378 PolarHBondContact O-N 2.79Å; W375-D379 WeakPolarHBondContact O-CB 3.42Å; W375-D379 PolarHBondContact O-N 2.73Å
376	K	98.8	Very high	98.5	Very high	48 Å²	48	55.9 Å²	55.9	21%	0.209	26%	0.259	C	S	.	.	H	α-helix	trans	-59.8	-44.1	171.7	-69.3	176.6	-179.1	178.3	0	111.1	V355 Y358 F369 Y370 I371 D373 A380	V355-K376 HydrophobicContact CG1-CB 3.86Å; Y358-K376 VanDerWaalsContact OH-CE 3.29Å; Y358-K376 WeakPolarHBondContact OH-CE 3.5Å; Y358-K376 PolarHBondContact OH-NZ 2.93Å; F369-K376 PolarHBondContact O-NZ 3.27Å; Y370-K376 PolarHBondContact O-NZ 3.09Å; I371-K376 WeakPolarHBondContact O-CD 3.39Å; I371-K376 WeakPolarHBondContact O-CE 3.41Å; I371-K376 PolarHBondContact O-NZ 3.49Å; D373-K376 PolarHBondContact O-N 3.3Å; D373-K376 WeakPolarHBondContact OD1-CG 3.25Å; D373-K376 PolarHBondContact OD1-N 2.77Å; K376-A380 PolarHBondContact O-N 2.85Å; K376-A380 VanDerWaalsContact O-N 3.14Å
377	C	98.8	Very high	98.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-47.5	179	-61.6	0	0	0	0	111.6	M279 V282 D373 W375 D379 A380 I381	M279-C377 HydrophobicContact CE-CB 3.81Å; M279-C377 WeakPolarHBondContact CE-SG 3.48Å; V282-C377 HydrophobicContact CG1-CB 4.11Å; V282-C377 HydrophobicContact CG2-CB 3.73Å; D373-C377 PolarHBondContact O-N 3.37Å; D373-C377 VanDerWaalsContact O-N 3.08Å; D373-C377 PolarHBondContact O-SG 2.98Å; W375-C377 VanDerWaalsContact C-N 3.31Å; W375-C377 PolarHBondContact O-N 2.93Å; C377-D379 VanDerWaalsContact C-N 3.34Å; C377-D379 PolarHBondContact O-N 2.92Å; C377-A380 WeakPolarHBondContact O-CB 3.39Å; C377-A380 PolarHBondContact O-N 2.86Å; C377-A380 VanDerWaalsContact O-N 3.17Å; C377-I381 WeakPolarHBondContact O-CG1 3.37Å; C377-I381 PolarHBondContact O-N 3.22Å
378	F	98.8	Very high	98.4	Very high	10 Å²	10	61.9 Å²	61.9	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-37.2	178.4	179.9	-115.4	0	0	0	113.1	V282 M285 K289 L290 K374 W375 I381 K382	V282-F378 HydrophobicContact CG1-CB 4.43Å; M285-F378 HydrophobicContact CB-CD2 3.91Å; M285-F378 HydrophobicContact CB-CE2 4.03Å; M285-F378 HydrophobicContact CE-CB 3.83Å; M285-F378 HydrophobicContact CE-CD1 3.77Å; M285-F378 HydrophobicContact CE-CD2 4.14Å; M285-F378 HydrophobicContact CE-CE1 4.32Å; M285-F378 HydrophobicContact CE-CG 3.66Å; K289-F378 HydrophobicContact CB-CE2 4.35Å; K289-F378 HydrophobicContact CB-CZ 3.82Å; K289-F378 HydrophobicContact CD-CE1 3.93Å; K289-F378 HydrophobicContact CD-CE2 4.29Å; K289-F378 HydrophobicContact CD-CZ 3.52Å; K289-F378 HydrophobicContact CG-CZ 4.26Å; L290-F378 HydrophobicContact CD1-CE2 3.83Å; L290-F378 HydrophobicContact CD1-CZ 4.23Å; L290-F378 HydrophobicContact CG-CE2 4.13Å; L290-F378 HydrophobicContact CG-CZ 4.23Å; K374-F378 WeakPolarHBondContact O-CB 3.38Å; K374-F378 PolarHBondContact O-N 3.48Å; W375-F378 PolarHBondContact O-N 2.79Å; F378-I381 PolarHBondContact O-N 3.19Å; F378-K382 HydrophobicContact CE1-CD 4.22Å; F378-K382 HydrophobicContact CZ-CD 4.47Å; F378-K382 PolarHBondContact O-N 2.84Å
379	D	98.8	Very high	98.5	Very high	77 Å²	77	60.7 Å²	60.7	41%	0.412	27%	0.267	S	S	.	.	H	α-helix	trans	-63.8	-42.5	173.1	-178.6	76.9	0	0	0	112.3	W375 C377 I381 K382 R383	W375-D379 WeakPolarHBondContact O-CB 3.42Å; W375-D379 PolarHBondContact O-N 2.73Å; C377-D379 VanDerWaalsContact C-N 3.34Å; C377-D379 PolarHBondContact O-N 2.92Å; D379-I381 VanDerWaalsContact C-N 3.32Å; D379-I381 PolarHBondContact O-N 3.21Å; D379-K382 WeakPolarHBondContact O-CB 3.3Å; D379-K382 PolarHBondContact O-N 3.33Å; D379-R383 PolarHBondContact O-N 2.68Å; D379-R383 IonicContact OD2-CZ 2.65Å; D379-R383 IonicContact OD2-NE 2.85Å; D379-R383 PolarHBondContact OD2-NE 3.11Å; D379-R383 IonicContact OD2-NH2 3.09Å; D379-R383 PolarHBondContact OD2-NH2 3.46Å
380	A	98.8	Very high	98.5	Very high	6 Å²	6	55.9 Å²	55.9	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-62.3	-39.5	175.4	0	0	0	0	0	112.1	L321 V355 K376 C377 R383 M384	L321-A380 HydrophobicContact CD1-CB 3.75Å; V355-A380 HydrophobicContact CG2-CB 3.46Å; V355-A380 VanDerWaalsContact CG2-CB 3.46Å; K376-A380 PolarHBondContact O-N 2.85Å; K376-A380 VanDerWaalsContact O-N 3.14Å; C377-A380 WeakPolarHBondContact O-CB 3.39Å; C377-A380 PolarHBondContact O-N 2.86Å; C377-A380 VanDerWaalsContact O-N 3.17Å; A380-R383 PolarHBondContact O-N 3.29Å; A380-M384 WeakPolarHBondContact O-CB 3.33Å; A380-M384 PolarHBondContact O-N 3.15Å
381	I	98.7	Very high	98.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.3	-49.8	172.4	-66.2	-175.1	0	0	0	110.7	L267 L269 V282 A286 L290 L321 C377 F378 D379 R383 M384 I385	L267-I381 HydrophobicContact CD2-CB 4.25Å; L267-I381 HydrophobicContact CD2-CD1 3.79Å; L267-I381 HydrophobicContact CD2-CG1 3.66Å; L267-I381 HydrophobicContact CD2-CG2 3.84Å; L269-I381 HydrophobicContact CD1-CD1 4.27Å; L269-I381 HydrophobicContact CD2-CD1 3.9Å; L269-I381 HydrophobicContact CD2-CG1 4.41Å; V282-I381 HydrophobicContact CG1-CD1 3.28Å; V282-I381 HydrophobicContact CG1-CG1 4.33Å; A286-I381 HydrophobicContact CB-CD1 4.39Å; A286-I381 HydrophobicContact CB-CG2 4.31Å; L290-I381 HydrophobicContact CD1-CG2 4.26Å; L321-I381 HydrophobicContact CD1-CG1 3.8Å; C377-I381 WeakPolarHBondContact O-CG1 3.37Å; C377-I381 PolarHBondContact O-N 3.22Å; F378-I381 PolarHBondContact O-N 3.19Å; D379-I381 VanDerWaalsContact C-N 3.32Å; D379-I381 PolarHBondContact O-N 3.21Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 3.19Å; I381-M384 PolarHBondContact O-N 3.27Å; I381-I385 HydrophobicContact CG2-CG1 3.93Å; I381-I385 WeakPolarHBondContact O-CB 3.24Å; I381-I385 VanDerWaalsContact O-CG1 3.27Å; I381-I385 WeakPolarHBondContact O-CG1 3.46Å; I381-I385 PolarHBondContact O-N 2.5Å
382	K	98.5	Very high	98.5	Very high	81 Å²	81	61.8 Å²	61.8	35%	0.352	27%	0.271	S	S	.	.	H	α-helix	trans	-55.3	-44.2	178	-75.9	179.8	175	174.5	0	112.3	L290 F378 D379 N386	L290-K382 HydrophobicContact CD1-CG 3.64Å; L290-K382 HydrophobicContact CD2-CG 4.11Å; L290-K382 HydrophobicContact CG-CG 4.5Å; F378-K382 HydrophobicContact CE1-CD 4.22Å; F378-K382 HydrophobicContact CZ-CD 4.47Å; F378-K382 PolarHBondContact O-N 2.84Å; D379-K382 WeakPolarHBondContact O-CB 3.3Å; D379-K382 PolarHBondContact O-N 3.33Å; K382-N386 PolarHBondContact O-N 2.85Å; K382-N386 PolarHBondContact O-ND2 2.81Å
383	R	98.6	Very high	98.5	Very high	165 Å²	165	65.9 Å²	65.9	62%	0.623	29%	0.289	S	S	*	.	H	α-helix	trans	-65.9	-41.4	180	-72.1	-172.8	-75.8	131.8	0.7	111.9	D379 A380 I381 N386 Y387	D379-R383 PolarHBondContact O-N 2.68Å; D379-R383 IonicContact OD2-CZ 2.65Å; D379-R383 IonicContact OD2-NE 2.85Å; D379-R383 PolarHBondContact OD2-NE 3.11Å; D379-R383 IonicContact OD2-NH2 3.09Å; D379-R383 PolarHBondContact OD2-NH2 3.46Å; A380-R383 PolarHBondContact O-N 3.29Å; I381-R383 VanDerWaalsContact C-N 3.27Å; I381-R383 PolarHBondContact O-N 3.19Å; R383-N386 PolarHBondContact O-N 3.48Å; R383-Y387 PolarHBondContact O-N 3.09Å
384	M	98.6	Very high	98.5	Very high	9 Å²	9	68.1 Å²	68.1	4%	0.044	30%	0.297	C	S	.	.	H	α-helix	trans	-72	-35.9	-178.9	-177.2	175.9	45.2	0	0	113.5	L267 R319 L321 A350 A353 A380 I381 N386 Y387	L267-M384 HydrophobicContact CD1-CE 3.17Å; L267-M384 HydrophobicContact CD1-SD 3.86Å; L267-M384 HydrophobicContact CD2-CE 3.41Å; L267-M384 VanDerWaalsContact CD2-CE 3.41Å; L267-M384 HydrophobicContact CG-CE 3.93Å; R319-M384 HydrophobicContact CB-SD 4.12Å; L321-M384 HydrophobicContact CB-CE 3.9Å; L321-M384 HydrophobicContact CD1-CE 4.37Å; A350-M384 HydrophobicContact CB-CG 3.71Å; A353-M384 HydrophobicContact CB-SD 4.16Å; A380-M384 WeakPolarHBondContact O-CB 3.33Å; A380-M384 PolarHBondContact O-N 3.15Å; I381-M384 PolarHBondContact O-N 3.27Å; M384-N386 PolarHBondContact O-N 3.38Å; M384-Y387 PolarHBondContact O-N 3.35Å
385	I	97.9	Very high	98.4	Very high	42 Å²	42	70.2 Å²	70.2	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-69.7	-24.9	176.7	-66.9	-68.9	0	0	0	111.8	V292 I381	V292-I385 HydrophobicContact CG1-CD1 3.69Å; V292-I385 HydrophobicContact CG1-CG1 4.19Å; V292-I385 HydrophobicContact CG2-CD1 4.02Å; V292-I385 HydrophobicContact CG2-CG1 4.01Å; V292-I385 HydrophobicContact CG2-CG2 4Å; I381-I385 HydrophobicContact CG2-CG1 3.93Å; I381-I385 WeakPolarHBondContact O-CB 3.24Å; I381-I385 VanDerWaalsContact O-CG1 3.27Å; I381-I385 WeakPolarHBondContact O-CG1 3.46Å; I381-I385 PolarHBondContact O-N 2.5Å
386	N	97.5	Very high	98.4	Very high	133 Å²	133	63.9 Å²	63.9	71%	0.711	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	9.8	178.3	-66.3	-56.5	0	0	0	113.8	K382 R383 M384	K382-N386 PolarHBondContact O-N 2.85Å; K382-N386 PolarHBondContact O-ND2 2.81Å; R383-N386 PolarHBondContact O-N 3.48Å; M384-N386 PolarHBondContact O-N 3.38Å
387	Y	97.3	Very high	98.4	Very high	196 Å²	196	65.4 Å²	65.4	77%	0.769	29%	0.293	S	S	*	.			trans	-72.5	0	171.7	-172.9	-89.7	0	0	0	109.4	E349 A350 P351 R383 M384	E349-Y387 WeakPolarHBondContact O-CD1 3.4Å; A350-Y387 HydrophobicContact CB-CD1 3.99Å; A350-Y387 HydrophobicContact CB-CG 4.06Å; P351-Y387 HydrophobicContact CG-CD2 4.19Å; P351-Y387 HydrophobicContact CG-CE1 4.4Å; P351-Y387 HydrophobicContact CG-CE2 3.73Å; R383-Y387 PolarHBondContact O-N 3.09Å; M384-Y387 PolarHBondContact O-N 3.35Å

Retrieved 387 of 387 residues in 119.7 ms (Link to these results)

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