A0A087XIL2_POEFO Loading...

Succinate--CoA ligase [ADP/GDP-forming] subunit alpha, mitochondrial

Succinyl-CoA synthetase functions in the citric acid cycle (TCA), coupling the hydrolysis of succinyl-CoA to the synthesis of either ATP or GTP and thus represents the only step of substrate-level phosphorylation in the TCA. The alpha subunit of the enzyme binds the substrates coenzyme A and phosphate, while succinate binding and specificity for either ATP or GTP is provided by different beta subunits.

AlphaFold DB , UniProt , Accession A0A087XIL2, Species POEFO (Poecilia formosa, Amazon molly), Gene SUCLG1, Length 324 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	42.9	Very low	36.6	Very low	248 Å²	248	166.5 Å²	166.5	100%	1.222	84%	0.835	S	S	*	*				0	87.5	0	-73.4	170.7	117.1	0	0	109.8
2	S	41.8	Very low	36.8	Very low	109 Å²	109	164 Å²	164	76%	0.762	83%	0.825	S	S	*	*			trans	-173.2	39.7	171.3	-172.5	0	0	0	0	115.1
3	H	35.4	Very low	36.6	Very low	179 Å²	179	166 Å²	166	83%	0.829	83%	0.83	S	S	*	*	S	Bend	trans	-125.2	2	176.4	-82.7	4.2	0	0	0	115.3
4	S	40.3	Very low	36.6	Very low	113 Å²	113	169.1 Å²	169.1	79%	0.79	84%	0.84	S	S	*	*	S	Bend	trans	-98.8	7.6	-173.5	19.3	0	0	0	0	115.4
5	R	39.9	Very low	37.1	Very low	237 Å²	237	165.1 Å²	165.1	89%	0.894	84%	0.835	S	S	*	*	S	Bend	trans	-107.2	-5.7	-179.3	-74.2	-172.4	-179.2	-176	1	115.9
6	L	35.1	Very low	37.3	Very low	146 Å²	146	158.9 Å²	158.9	76%	0.764	83%	0.825	S	S	*	*	S	Bend	trans	-93.1	-24.5	-178.7	-126.3	77.9	0	0	0	114.1
7	F	33.5	Very low	37.7	Very low	183 Å²	183	154.5 Å²	154.5	80%	0.803	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-11.8	-176.5	-94.2	-85.8	0	0	0	115.1
8	A	32.7	Very low	38.3	Very low	72 Å²	72	159 Å²	159	60%	0.595	81%	0.811	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-5.9	179.7	0	0	0	0	0	114.1
9	R	32.6	Very low	39.4	Very low	225 Å²	225	156.9 Å²	156.9	85%	0.849	80%	0.797	S	S	*	*	S	Bend	trans	-100.1	-7.2	-176.6	-103.9	-178.9	175.4	-172.3	-2	115.3
10	L	32.8	Very low	41.5	Very low	164 Å²	164	151.4 Å²	151.4	86%	0.859	77%	0.773	S	S	*	*	S	Bend	trans	-94.9	-4	178	-109.7	96	0	0	0	114.8
11	L	35.5	Very low	44.1	Very low	156 Å²	156	144.8 Å²	144.8	82%	0.817	74%	0.739	S	S	*	*	S	Bend	trans	-106.5	7.8	-177.5	-84.7	158.9	0	0	0	114.3
12	L	38.8	Very low	46.7	Very low	136 Å²	136	136.2 Å²	136.2	71%	0.712	70%	0.7	S	S	*	*	S	Bend	trans	-134.3	64.7	-175.3	-86	150.2	0	0	0	111.2
13	Q	34.2	Very low	49.2	Very low	190 Å²	190	133 Å²	133	89%	0.888	69%	0.685	S	S	*	*			trans	-160.3	39.1	161	-121.2	173.5	9.5	0	0	115.4
14	Q	37.6	Very low	52.2	Low	210 Å²	210	124.5 Å²	124.5	98%	0.981	65%	0.645	S	S	*	*			trans	-101.5	24.6	160.7	-83.6	-168.3	-6.2	0	0	112.7
15	S	43.4	Very low	55	Low	109 Å²	109	121.2 Å²	121.2	76%	0.762	62%	0.616	S	S	*	*			trans	-113.8	71.3	177.9	47.4	0	0	0	0	110.4
16	G	39.8	Very low	57.7	Low	66 Å²	66	117.5 Å²	117.5	68%	0.68	61%	0.606	S	S	*	*	S	Bend	trans	-141.3	100.4	172.9	0	0	0	0	0	109.8
17	V	44.7	Very low	60.8	Low	83 Å²	83	112 Å²	112	50%	0.503	58%	0.578	S	S	.	*	S	Bend	trans	71.4	97.4	-165.4	-164.3	0	0	0	0	112.3	H19 R139	V17-H19 PolarHBondContact O-N 2.71Å; V17-R139 HydrophobicContact CG1-CG 4.14Å
18	R	47.9	Very low	63.9	Low	236 Å²	236	103.4 Å²	103.4	89%	0.891	54%	0.54	S	S	*	.			trans	-53.4	112.4	161.3	-87	-179.3	173.2	174.4	-2.1	107.1	C20	R18-C20 PolarHBondContact O-N 2.76Å
19	H	59	Low	66.9	Low	119 Å²	119	102.5 Å²	102.5	55%	0.551	52%	0.521	S	S	*	.			trans	-70	77.5	169.1	-105.6	-15.2	0	0	0	108.8	V17 Y21 T22	V17-H19 PolarHBondContact O-N 2.71Å; H19-Y21 VanDerWaalsContact C-N 3.25Å; H19-T22 PolarHBondContact O-OG1 2.93Å
20	C	82.3	Confident	70.1	Confident	47 Å²	47	91.9 Å²	91.9	32%	0.318	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-76.1	-15.4	178.7	56.3	0	0	0	0	112.4	R18 T22 G23 Q140 S141	R18-C20 PolarHBondContact O-N 2.76Å; C20-T22 VanDerWaalsContact C-N 3.28Å; C20-T22 PolarHBondContact O-N 3.39Å; C20-G23 PolarHBondContact O-N 3.09Å; C20-Q140 PolarHBondContact SG-O 2.8Å; C20-S141 WeakPolarHBondContact O-CB 3.32Å
21	Y	96.4	Very high	73.2	Confident	13 Å²	13	86.5 Å²	86.5	5%	0.051	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-61.2	-29.9	-175.7	-174.7	-120.3	0	0	0	114.1	H19 G23 S24 L137 L138 Q140 T143 R144 L145 G211	H19-Y21 VanDerWaalsContact C-N 3.25Å; Y21-G23 PolarHBondContact O-N 3.01Å; Y21-S24 WeakPolarHBondContact CE2-OG 3.31Å; Y21-S24 PolarHBondContact O-N 3.39Å; Y21-S24 PolarHBondContact O-OG 3.12Å; Y21-L137 HydrophobicContact CD2-CB 4.46Å; Y21-L137 WeakPolarHBondContact CD2-O 3.48Å; Y21-L137 HydrophobicContact CE2-CB 4.12Å; Y21-L137 HydrophobicContact CE2-CD2 3.79Å; Y21-L137 HydrophobicContact CE2-CG 4.47Å; Y21-L138 HydrophobicContact CD1-CD2 3.9Å; Y21-L138 HydrophobicContact CG-CD2 4.4Å; Y21-Q140 VanDerWaalsContact CA-O 3.26Å; Y21-Q140 WeakPolarHBondContact CA-O 3.33Å; Y21-Q140 PolarHBondContact N-O 2.9Å; Y21-T143 WeakPolarHBondContact CE2-O 3.35Å; Y21-R144 PolarHBondContact O-NH2 3.42Å; Y21-R144 PolarHBondContact OH-NE 3.1Å; Y21-R144 PolarHBondContact OH-NH1 3.46Å; Y21-L145 PolarHBondContact OH-N 2.87Å; Y21-G211 VanDerWaalsContact CE1-O 3.23Å; Y21-G211 WeakPolarHBondContact CE1-O 3.36Å; Y21-G211 PolarHBondContact OH-O 2.64Å
22	T	96.2	Very high	76.2	Confident	67 Å²	67	85.5 Å²	85.5	41%	0.411	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-59.5	-27.6	175.2	51.7	0	0	0	0	112.5	H19 C20 S24 R25	H19-T22 PolarHBondContact O-OG1 2.93Å; C20-T22 VanDerWaalsContact C-N 3.28Å; C20-T22 PolarHBondContact O-N 3.39Å; T22-S24 PolarHBondContact O-N 3.19Å; T22-S24 VanDerWaalsContact O-N 3.14Å; T22-R25 WeakPolarHBondContact O-CB 3.47Å; T22-R25 WeakPolarHBondContact O-CD 3.21Å; T22-R25 WeakPolarHBondContact O-CG 3.38Å; T22-R25 PolarHBondContact O-N 2.99Å
23	G	96.1	Very high	79	Confident	42 Å²	42	83.8 Å²	83.8	43%	0.433	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-62.1	-17.3	173.9	0	0	0	0	0	114.4	C20 Y21	C20-G23 PolarHBondContact O-N 3.09Å; Y21-G23 PolarHBondContact O-N 3.01Å
24	S	98.3	Very high	82.1	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-87.4	-2.8	175.6	76.4	0	0	0	0	114	Y21 T22 K26 N27 S141 T143 R144	Y21-S24 WeakPolarHBondContact CE2-OG 3.31Å; Y21-S24 PolarHBondContact O-N 3.39Å; Y21-S24 PolarHBondContact O-OG 3.12Å; T22-S24 PolarHBondContact O-N 3.19Å; T22-S24 VanDerWaalsContact O-N 3.14Å; S24-K26 PolarHBondContact O-N 3.28Å; S24-N27 VanDerWaalsContact O-CB 3.32Å; S24-N27 WeakPolarHBondContact O-CB 3.36Å; S24-N27 PolarHBondContact O-N 2.97Å; S24-S141 WeakPolarHBondContact CB-O 3.33Å; S24-T143 PolarHBondContact OG-O 3.24Å; S24-R144 WeakPolarHBondContact O-CB 3.48Å; S24-R144 PolarHBondContact OG-NE 3.46Å; S24-R144 PolarHBondContact OG-NH2 3.39Å; S24-R144 VanDerWaalsContact OG-NH2 3.14Å
25	R	98.5	Very high	85	Confident	44 Å²	44	69 Å²	69	17%	0.166	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-54.6	-35.9	176.9	-74.7	169.9	-179.7	175.9	-8.7	112.8	T22 N27 L28 D216 E219 V220	T22-R25 WeakPolarHBondContact O-CB 3.47Å; T22-R25 WeakPolarHBondContact O-CD 3.21Å; T22-R25 WeakPolarHBondContact O-CG 3.38Å; T22-R25 PolarHBondContact O-N 2.99Å; R25-N27 PolarHBondContact O-N 3.35Å; R25-N27 VanDerWaalsContact O-N 3.09Å; R25-L28 VanDerWaalsContact O-CB 3.28Å; R25-L28 WeakPolarHBondContact O-CB 3.47Å; R25-L28 WeakPolarHBondContact O-CG 3.41Å; R25-L28 PolarHBondContact O-N 2.97Å; R25-D216 HydrophobicContact CG-CB 4.13Å; R25-D216 IonicContact CZ-OD1 2.74Å; R25-D216 VanDerWaalsContact CZ-OD1 3.3Å; R25-D216 IonicContact NE-OD1 2.78Å; R25-D216 PolarHBondContact NE-OD1 3.13Å; R25-D216 IonicContact NH2-OD1 2.7Å; R25-D216 PolarHBondContact NH2-OD1 3.33Å; R25-E219 IonicContact CZ-OE2 2.96Å; R25-E219 IonicContact NH1-OE2 3.72Å; R25-E219 PolarHBondContact NH1-OE2 3.24Å; R25-V220 HydrophobicContact CB-CG2 4.32Å
26	K	97.4	Very high	87.7	Confident	159 Å²	159	64.1 Å²	64.1	69%	0.691	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-53.9	-29	175.6	67.3	-175.7	179.4	174.4	0	113.4	S24 L28 Y29	S24-K26 PolarHBondContact O-N 3.28Å; K26-L28 PolarHBondContact O-N 3.33Å; K26-Y29 PolarHBondContact O-N 3.31Å
27	N	98.5	Very high	90.5	Very high	32 Å²	32	61 Å²	61	17%	0.171	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-74.2	-9.3	-179.4	-57.3	-14.3	0	0	0	112.7	S24 R25 Y29 P116 L117 A142 R144	S24-N27 VanDerWaalsContact O-CB 3.32Å; S24-N27 WeakPolarHBondContact O-CB 3.36Å; S24-N27 PolarHBondContact O-N 2.97Å; R25-N27 PolarHBondContact O-N 3.35Å; R25-N27 VanDerWaalsContact O-N 3.09Å; N27-Y29 PolarHBondContact O-N 2.74Å; N27-P116 HydrophobicContact CB-CB 4.42Å; N27-P116 WeakPolarHBondContact CB-O 3.43Å; N27-P116 PolarHBondContact ND2-O 3.19Å; N27-L117 HydrophobicContact CB-CB 4.44Å; N27-A142 PolarHBondContact ND2-O 3.01Å; N27-R144 HydrophobicContact CB-CB 3.95Å
28	L	98.6	Very high	93.1	Very high	1 Å²	1	57 Å²	57	1%	0.005	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-66.7	-26.9	171.5	-66.7	173.3	0	0	0	112.2	R25 K26 I30 L117 R144 V146 T212 D216 V220	R25-L28 VanDerWaalsContact O-CB 3.28Å; R25-L28 WeakPolarHBondContact O-CB 3.47Å; R25-L28 WeakPolarHBondContact O-CG 3.41Å; R25-L28 PolarHBondContact O-N 2.97Å; K26-L28 PolarHBondContact O-N 3.33Å; L28-I30 PolarHBondContact O-N 2.93Å; L28-L117 HydrophobicContact CD2-CD1 4.4Å; L28-R144 HydrophobicContact CD2-CG 3.66Å; L28-R144 HydrophobicContact CG-CG 3.95Å; L28-V146 HydrophobicContact CD2-CG2 3.38Å; L28-T212 HydrophobicContact CD1-CG2 3.96Å; L28-T212 HydrophobicContact CD2-CG2 4.05Å; L28-D216 HydrophobicContact CD1-CB 4.4Å; L28-V220 HydrophobicContact CB-CG2 4.39Å; L28-V220 HydrophobicContact CD1-CG2 4.11Å
29	Y	97.3	Very high	95.5	Very high	54 Å²	54	45.9 Å²	45.9	21%	0.212	23%	0.232	C	C	.	.			trans	-82.6	81.3	-176.7	-152.5	-69.3	0	0	0	111.3	K26 N27 L200 V220 D224	K26-Y29 PolarHBondContact O-N 3.31Å; N27-Y29 PolarHBondContact O-N 2.74Å; Y29-L200 HydrophobicContact CD2-CD2 4.1Å; Y29-V220 HydrophobicContact CD2-CG1 3.91Å; Y29-D224 HydrophobicContact CE2-CB 4.14Å; Y29-D224 WeakPolarHBondContact CE2-OD2 3.45Å; Y29-D224 PolarHBondContact OH-OD2 3.17Å
30	I	98.6	Very high	97.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.215	C	C	.	.			trans	-71.3	151.6	172.3	64.1	177.1	0	0	0	111.4	L28 T34 L117 V153 N155 C159 I161 L200	L28-I30 PolarHBondContact O-N 2.93Å; I30-T34 HydrophobicContact CB-CG2 4.41Å; I30-T34 HydrophobicContact CG2-CG2 4.22Å; I30-L117 HydrophobicContact CG2-CD2 3.35Å; I30-V153 HydrophobicContact CD1-CB 4.09Å; I30-V153 HydrophobicContact CD1-CG1 3.78Å; I30-V153 HydrophobicContact CG1-CG1 4.05Å; I30-N155 HydrophobicContact CG1-CB 3.92Å; I30-N155 VanDerWaalsContact O-CB 3.32Å; I30-N155 WeakPolarHBondContact O-CB 3.37Å; I30-N155 PolarHBondContact O-ND2 2.68Å; I30-C159 HydrophobicContact CB-CB 4.25Å; I30-C159 HydrophobicContact CD1-CB 3.95Å; I30-C159 WeakPolarHBondContact CD1-O 3.38Å; I30-C159 HydrophobicContact CG1-CB 4.09Å; I30-I161 HydrophobicContact CD1-CD1 4.18Å; I30-I161 HydrophobicContact CD1-CG1 3.97Å; I30-I161 HydrophobicContact CG2-CD1 3.89Å; I30-L200 HydrophobicContact CG1-CD1 4.29Å
31	N	98.5	Very high	98.2	Very high	51 Å²	51	38.9 Å²	38.9	27%	0.273	20%	0.2	S	C	.	.			trans	-148.7	-180	-178.8	65.9	68	0	0	0	111.1	N33 T34 E158 C159	N31-N33 PolarHBondContact O-N 3.39Å; N31-N33 WeakPolarHBondContact OD1-CA 3.33Å; N31-N33 VanDerWaalsContact OD1-CB 3.28Å; N31-N33 WeakPolarHBondContact OD1-CB 3.26Å; N31-N33 PolarHBondContact OD1-N 2.96Å; N31-T34 PolarHBondContact N-OG1 3.25Å; N31-T34 WeakPolarHBondContact O-CB 3.3Å; N31-T34 PolarHBondContact O-N 3.4Å; N31-T34 PolarHBondContact O-OG1 3.09Å; N31-E158 WeakPolarHBondContact CA-OE2 3.37Å; N31-E158 WeakPolarHBondContact CB-OE2 3.02Å; N31-C159 WeakPolarHBondContact O-CB 3.46Å
32	K	98.4	Very high	98.3	Very high	135 Å²	135	39.9 Å²	39.9	59%	0.587	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.8	-177	67.9	178.4	-177.6	178.1	0	115.1	Q59 E158	K32-Q59 PolarHBondContact O-NE2 2.9Å; K32-E158 WeakPolarHBondContact CA-O 3.27Å; K32-E158 HydrophobicContact CB-CB 4.22Å; K32-E158 HydrophobicContact CB-CG 4.37Å; K32-E158 PolarHBondContact N-OE2 3.34Å
33	N	98.4	Very high	98.4	Very high	99 Å²	99	38.3 Å²	38.3	53%	0.529	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-11	179.6	-57.8	-32.8	0	0	0	113.3	N31 K35	N31-N33 PolarHBondContact O-N 3.39Å; N31-N33 WeakPolarHBondContact OD1-CA 3.33Å; N31-N33 VanDerWaalsContact OD1-CB 3.28Å; N31-N33 WeakPolarHBondContact OD1-CB 3.26Å; N31-N33 PolarHBondContact OD1-N 2.96Å; N33-K35 PolarHBondContact O-N 2.83Å
34	T	98.8	Very high	98.5	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.067	22%	0.221	C	C	.	.			trans	-64.8	109.7	-175.6	-57.7	0	0	0	0	110.5	I30 N31 V36 A93 I161	I30-T34 HydrophobicContact CB-CG2 4.41Å; I30-T34 HydrophobicContact CG2-CG2 4.22Å; N31-T34 PolarHBondContact N-OG1 3.25Å; N31-T34 WeakPolarHBondContact O-CB 3.3Å; N31-T34 PolarHBondContact O-N 3.4Å; N31-T34 PolarHBondContact O-OG1 3.09Å; T34-V36 HydrophobicContact CG2-CG2 4.37Å; T34-A93 HydrophobicContact CG2-CB 3.82Å; T34-I161 HydrophobicContact CG2-CD1 4.42Å
35	K	98.9	Very high	98.6	Very high	79 Å²	79	49.6 Å²	49.6	34%	0.343	24%	0.243	S	C	.	.			trans	-80.4	126	175.4	-67.9	179.1	-179.4	179.1	0	110.9	N33 V61 T89 E92 A93	N33-K35 PolarHBondContact O-N 2.83Å; K35-V61 HydrophobicContact CB-CG1 4.03Å; K35-V61 HydrophobicContact CB-CG2 4.12Å; K35-V61 HydrophobicContact CD-CG1 4.26Å; K35-V61 HydrophobicContact CG-CG1 3.98Å; K35-T89 WeakPolarHBondContact CD-O 3.32Å; K35-T89 PolarHBondContact NZ-O 3.28Å; K35-E92 PolarHBondContact O-N 3.44Å; K35-A93 PolarHBondContact O-N 2.92Å
36	V	98.9	Very high	98.6	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.8	-172.2	-169	0	0	0	0	110.9	T34 Q59 L60 V61 A93 V95 I161	T34-V36 HydrophobicContact CG2-CG2 4.37Å; V36-Q59 PolarHBondContact N-O 2.85Å; V36-L60 WeakPolarHBondContact O-CA 3.4Å; V36-L60 WeakPolarHBondContact O-CD1 3.37Å; V36-V61 WeakPolarHBondContact O-CG2 3.46Å; V36-V61 PolarHBondContact O-N 2.9Å; V36-A93 CarbonylContact C-O 3.44Å; V36-A93 WeakPolarHBondContact CA-O 3.27Å; V36-A93 HydrophobicContact CG2-CB 4.29Å; V36-V95 HydrophobicContact CG1-CG1 4.4Å; V36-I161 HydrophobicContact CG1-CD1 4.31Å; V36-I161 HydrophobicContact CG1-CG1 4.45Å; V36-I161 HydrophobicContact CG1-CG2 4.37Å; V36-I161 HydrophobicContact CG2-CD1 3.69Å; V36-I161 HydrophobicContact CG2-CG1 3.95Å
37	I	98.9	Very high	98.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.1	165.8	53.5	167.7	0	0	0	111.6	V61 G62 V82 A85 A91 A93 T94 V95 I115	I37-V61 HydrophobicContact CG2-CG2 3.84Å; I37-G62 WeakPolarHBondContact CA-O 3.41Å; I37-V82 HydrophobicContact CD1-CG1 3.97Å; I37-A85 HydrophobicContact CD1-CB 3.73Å; I37-A85 HydrophobicContact CG2-CB 4.29Å; I37-A91 HydrophobicContact CB-CB 4.33Å; I37-A91 HydrophobicContact CD1-CB 4.26Å; I37-A91 HydrophobicContact CG1-CB 3.94Å; I37-A91 HydrophobicContact CG2-CB 3.64Å; I37-A93 WeakPolarHBondContact CG1-O 3.35Å; I37-A93 PolarHBondContact N-O 3.45Å; I37-T94 CarbonylContact O-C 3.53Å; I37-T94 WeakPolarHBondContact O-CA 3.27Å; I37-T94 PolarHBondContact O-OG1 2.87Å; I37-V95 PolarHBondContact O-N 3.1Å; I37-I115 HydrophobicContact CD1-CD1 4.12Å
38	C	98.9	Very high	98.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	121.4	177	-176.8	0	0	0	0	111.4	F41 L60 G62 G63 V64 V95	C38-F41 HydrophobicContact CB-CB 4.03Å; C38-F41 HydrophobicContact CB-CD2 3.71Å; C38-F41 HydrophobicContact CB-CG 4.1Å; C38-F41 WeakPolarHBondContact O-CB 3.46Å; C38-F41 VanDerWaalsContact SG-CA 3.6Å; C38-L60 HydrophobicContact CB-CD1 4.2Å; C38-G62 PolarHBondContact N-O 3.34Å; C38-G63 CarbonylContact O-C 3.49Å; C38-G63 WeakPolarHBondContact O-CA 3.41Å; C38-V64 PolarHBondContact O-N 2.89Å; C38-V95 CarbonylContact C-O 3.6Å; C38-V95 HydrophobicContact CB-CG1 4.16Å
39	Q	98.9	Very high	98.7	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	129.8	166.1	-71.6	178.3	75.7	0	0	110.1	V64 V82 T94 V95 I96 Y97 V98 A106	Q39-V64 HydrophobicContact CG-CB 4.24Å; Q39-V64 HydrophobicContact CG-CG2 4.37Å; Q39-V82 HydrophobicContact CG-CG2 3.73Å; Q39-T94 VanDerWaalsContact NE2-CG2 3.34Å; Q39-T94 PolarHBondContact NE2-OG1 3.09Å; Q39-T94 VanDerWaalsContact NE2-OG1 3.08Å; Q39-V95 PolarHBondContact N-O 3.39Å; Q39-I96 HydrophobicContact CB-CG1 4.13Å; Q39-Y97 PolarHBondContact O-N 3.05Å; Q39-V98 HydrophobicContact CB-CG2 4.19Å; Q39-A106 PolarHBondContact OE1-O 3.1Å
40	G	98.6	Very high	98.7	Very high	19 Å²	19	44 Å²	44	20%	0.196	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	27.9	-165.6	0	0	0	0	0	112.6	T42 G43 V64	G40-T42 VanDerWaalsContact C-N 3.34Å; G40-T42 PolarHBondContact O-N 3.16Å; G40-G43 PolarHBondContact O-N 3.42Å; G40-V64 PolarHBondContact N-O 3.39Å
41	F	98.9	Very high	98.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-44.3	-170.2	-172.4	-152.9	0	0	0	114.6	C38 G43 G46 T47 S50 L60 V64 H73 L74 L76 V78	C38-F41 HydrophobicContact CB-CB 4.03Å; C38-F41 HydrophobicContact CB-CD2 3.71Å; C38-F41 HydrophobicContact CB-CG 4.1Å; C38-F41 WeakPolarHBondContact O-CB 3.46Å; C38-F41 VanDerWaalsContact SG-CA 3.6Å; F41-G43 VanDerWaalsContact C-N 3.28Å; F41-G43 PolarHBondContact O-N 2.73Å; F41-G46 CarbonylContact O-C 3.58Å; F41-T47 PolarHBondContact O-N 2.76Å; F41-T47 PolarHBondContact O-OG1 3.33Å; F41-S50 WeakPolarHBondContact CD2-OG 3.37Å; F41-S50 WeakPolarHBondContact CE2-OG 3.25Å; F41-L60 HydrophobicContact CE2-CD2 4Å; F41-L60 HydrophobicContact CZ-CD2 4.45Å; F41-V64 PolarHBondContact N-O 2.7Å; F41-H73 HydrophobicContact CD1-CB 4.15Å; F41-H73 AromaticContact CD2-CD2 3.96Å; F41-H73 HydrophobicContact CE1-CB 3.76Å; F41-H73 WeakPolarHBondContact CE1-O 3.47Å; F41-H73 AromaticContact CE2-CD2 3.85Å; F41-H73 HydrophobicContact CZ-CB 4.18Å; F41-H73 AromaticContact CZ-CD2 3.91Å; F41-H73 VanDerWaalsContact CZ-O 3.29Å; F41-H73 WeakPolarHBondContact CZ-O 3.48Å; F41-L74 HydrophobicContact CE2-CD1 4.08Å; F41-L74 HydrophobicContact CZ-CB 4.39Å; F41-L76 HydrophobicContact CE1-CB 4.24Å; F41-L76 HydrophobicContact CZ-CB 4.09Å; F41-L76 HydrophobicContact CZ-CD1 4.27Å; F41-V78 HydrophobicContact CD1-CG2 4Å; F41-V78 HydrophobicContact CE1-CG2 4.21Å
42	T	98.8	Very high	98.8	Very high	34 Å²	34	48.3 Å²	48.3	21%	0.209	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	2.8	-177.8	64	0	0	0	0	113.5	G40 S65 K68 H73 V78	G40-T42 VanDerWaalsContact C-N 3.34Å; G40-T42 PolarHBondContact O-N 3.16Å; T42-S65 PolarHBondContact N-OG 2.7Å; T42-S65 WeakPolarHBondContact OG1-CB 3.44Å; T42-S65 PolarHBondContact OG1-OG 2.76Å; T42-K68 HydrophobicContact CG2-CD 4.07Å; T42-K68 WeakPolarHBondContact OG1-CD 3.03Å; T42-K68 PolarHBondContact OG1-NZ 2.94Å; T42-H73 HydrophobicContact CG2-CB 4.01Å; T42-V78 HydrophobicContact CG2-CG1 4.36Å; T42-V78 HydrophobicContact CG2-CG2 4.19Å
43	G	98.5	Very high	98.8	Very high	34 Å²	34	42.5 Å²	42.5	35%	0.351	22%	0.219	S	C	.	.	S	Bend	trans	-76	165.1	173	0	0	0	0	0	111.7	G40 F41 Q45 G46 T47	G40-G43 PolarHBondContact O-N 3.42Å; F41-G43 VanDerWaalsContact C-N 3.28Å; F41-G43 PolarHBondContact O-N 2.73Å; G43-Q45 PolarHBondContact O-N 2.75Å; G43-G46 PolarHBondContact O-N 3.4Å; G43-T47 VanDerWaalsContact O-CB 3.29Å; G43-T47 WeakPolarHBondContact O-CB 3.23Å; G43-T47 PolarHBondContact O-N 3.23Å; G43-T47 PolarHBondContact O-OG1 3.22Å
44	K	98.6	Very high	98.8	Very high	180 Å²	180	40.5 Å²	40.5	78%	0.783	21%	0.208	S	C	*	.	H	α-helix	trans	-54.6	-52.7	-178.3	-177.5	-179	177.5	178.7	0	112.6	F48	K44-F48 WeakPolarHBondContact O-CB 3.41Å; K44-F48 PolarHBondContact O-N 2.8Å; K44-F48 VanDerWaalsContact O-N 3.09Å
45	Q	98.6	Very high	98.8	Very high	98 Å²	98	45.4 Å²	45.4	46%	0.458	23%	0.234	S	C	.	.	H	α-helix	trans	-71.3	-41.5	-178.8	-63.6	-59	-21.3	0	0	112.2	G43 T47 F48 H49 Y97	G43-Q45 PolarHBondContact O-N 2.75Å; Q45-T47 VanDerWaalsContact C-N 3.31Å; Q45-T47 PolarHBondContact O-N 2.86Å; Q45-F48 PolarHBondContact O-N 3.29Å; Q45-H49 PolarHBondContact O-CD2 2.9Å; Q45-H49 PolarHBondContact O-N 2.99Å; Q45-Y97 HydrophobicContact CB-CD1 4.16Å; Q45-Y97 HydrophobicContact CB-CG 4.48Å
46	G	98.8	Very high	98.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57	-45.1	174.4	0	0	0	0	0	111.9	F41 G43 S50	F41-G46 CarbonylContact O-C 3.58Å; G43-G46 PolarHBondContact O-N 3.4Å; G46-S50 WeakPolarHBondContact O-CB 3.47Å; G46-S50 PolarHBondContact O-N 3.19Å; G46-S50 PolarHBondContact O-OG 3.08Å
47	T	98.9	Very high	98.7	Very high	37 Å²	37	46.7 Å²	46.7	23%	0.227	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-53.3	177.2	-57.9	0	0	0	0	111.5	F41 G43 Q45 H49 S50 Q51 H73 L74	F41-T47 PolarHBondContact O-N 2.76Å; F41-T47 PolarHBondContact O-OG1 3.33Å; G43-T47 VanDerWaalsContact O-CB 3.29Å; G43-T47 WeakPolarHBondContact O-CB 3.23Å; G43-T47 PolarHBondContact O-N 3.23Å; G43-T47 PolarHBondContact O-OG1 3.22Å; Q45-T47 VanDerWaalsContact C-N 3.31Å; Q45-T47 PolarHBondContact O-N 2.86Å; T47-H49 PolarHBondContact O-N 3.4Å; T47-S50 PolarHBondContact O-N 3.02Å; T47-Q51 PolarHBondContact O-N 3.45Å; T47-H73 WeakPolarHBondContact CG2-NE2 3.3Å; T47-H73 PolarHBondContact OG1-CE1 2.92Å; T47-H73 PolarHBondContact OG1-NE2 2.87Å; T47-L74 HydrophobicContact CG2-CD2 4.19Å
48	F	98.8	Very high	98.7	Very high	114 Å²	114	47 Å²	47	50%	0.5	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-47.2	-175.9	176	-108.5	0	0	0	112.5	K44 Q45 Q52	K44-F48 WeakPolarHBondContact O-CB 3.41Å; K44-F48 PolarHBondContact O-N 2.8Å; K44-F48 VanDerWaalsContact O-N 3.09Å; Q45-F48 PolarHBondContact O-N 3.29Å; F48-Q52 PolarHBondContact O-N 3.42Å
49	H	98.9	Very high	98.7	Very high	20 Å²	20	50.7 Å²	50.7	9%	0.093	27%	0.272	C	S	.	.	H	α-helix	trans	-79.2	-24.6	-179.1	-71.6	-63.1	0	0	0	113.5	Q45 T47 A53 Y97 I163	Q45-H49 PolarHBondContact O-CD2 2.9Å; Q45-H49 PolarHBondContact O-N 2.99Å; T47-H49 PolarHBondContact O-N 3.4Å; H49-A53 VanDerWaalsContact O-CB 3.31Å; H49-A53 WeakPolarHBondContact O-CB 3.35Å; H49-A53 PolarHBondContact O-N 3.26Å; H49-Y97 HydrophobicContact CB-CE1 4.02Å; H49-Y97 HydrophobicContact CB-CE2 4Å; H49-Y97 VanDerWaalsContact CB-OH 3.25Å; H49-Y97 WeakPolarHBondContact CB-OH 3.46Å; H49-Y97 AromaticContact CD2-CE1 3.63Å; H49-Y97 AromaticContact CG-CE1 4Å; H49-Y97 AromaticContact CG-CZ 3.95Å; H49-I163 VanDerWaalsContact CE1-CG2 3.49Å; H49-I163 WeakPolarHBondContact CE1-CG2 3.5Å; H49-I163 VanDerWaalsContact NE2-CG2 3.33Å; H49-I163 WeakPolarHBondContact NE2-CG2 3.38Å
50	S	98.9	Very high	98.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.014	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-42	170.4	-69.1	0	0	0	0	111.8	F41 G46 T47 A53 L54 L60	F41-S50 WeakPolarHBondContact CD2-OG 3.37Å; F41-S50 WeakPolarHBondContact CE2-OG 3.25Å; G46-S50 WeakPolarHBondContact O-CB 3.47Å; G46-S50 PolarHBondContact O-N 3.19Å; G46-S50 PolarHBondContact O-OG 3.08Å; T47-S50 PolarHBondContact O-N 3.02Å; S50-A53 PolarHBondContact O-N 2.91Å; S50-L54 WeakPolarHBondContact O-CG 3.38Å; S50-L54 PolarHBondContact O-N 3.24Å; S50-L60 VanDerWaalsContact CB-CD2 3.43Å
51	Q	98.8	Very high	98.7	Very high	78 Å²	78	51.7 Å²	51.7	36%	0.364	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-49.3	174	-174.2	61.1	58.8	0	0	110.6	T47 A53 L54 D55 L74	T47-Q51 PolarHBondContact O-N 3.45Å; Q51-A53 VanDerWaalsContact C-N 3.27Å; Q51-A53 PolarHBondContact O-N 2.92Å; Q51-L54 WeakPolarHBondContact O-CB 3.34Å; Q51-L54 PolarHBondContact O-N 3.4Å; Q51-L54 VanDerWaalsContact O-N 3.14Å; Q51-D55 PolarHBondContact NE2-OD1 2.84Å; Q51-D55 PolarHBondContact O-N 3.01Å; Q51-L74 HydrophobicContact CB-CD1 4.33Å
52	Q	98.6	Very high	98.7	Very high	66 Å²	66	51.7 Å²	51.7	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-64.4	-29.1	177.2	-73.3	-166.2	64.9	0	0	114	F48 Y56	F48-Q52 PolarHBondContact O-N 3.42Å; Q52-Y56 WeakPolarHBondContact O-CB 3.21Å; Q52-Y56 PolarHBondContact O-N 3.27Å
53	A	98.7	Very high	98.7	Very high	13 Å²	13	50 Å²	50	11%	0.107	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-42.2	174.1	0	0	0	0	0	110.9	H49 S50 Q51 Y56 G57 S58	H49-A53 VanDerWaalsContact O-CB 3.31Å; H49-A53 WeakPolarHBondContact O-CB 3.35Å; H49-A53 PolarHBondContact O-N 3.26Å; S50-A53 PolarHBondContact O-N 2.91Å; Q51-A53 VanDerWaalsContact C-N 3.27Å; Q51-A53 PolarHBondContact O-N 2.92Å; A53-Y56 PolarHBondContact O-N 3.31Å; A53-G57 PolarHBondContact O-N 3.24Å; A53-S58 VanDerWaalsContact O-CB 3.31Å; A53-S58 WeakPolarHBondContact O-CB 3.28Å; A53-S58 PolarHBondContact O-N 3.42Å
54	L	98.8	Very high	98.8	Very high	56 Å²	56	48.6 Å²	48.6	29%	0.293	25%	0.248	S	C	.	.	H	α-helix	trans	-62.3	-47.6	173.3	-70.4	168.3	0	0	0	111.3	S50 Q51 Y56 G57 L60 L74 L76	S50-L54 WeakPolarHBondContact O-CG 3.38Å; S50-L54 PolarHBondContact O-N 3.24Å; Q51-L54 WeakPolarHBondContact O-CB 3.34Å; Q51-L54 PolarHBondContact O-N 3.4Å; Q51-L54 VanDerWaalsContact O-N 3.14Å; L54-Y56 PolarHBondContact O-N 3.38Å; L54-G57 PolarHBondContact O-N 2.78Å; L54-L60 HydrophobicContact CD1-CD2 4.28Å; L54-L60 HydrophobicContact CD2-CB 3.91Å; L54-L60 HydrophobicContact CG-CB 4.26Å; L54-L60 HydrophobicContact CG-CD2 4.14Å; L54-L74 HydrophobicContact CD1-CB 4.35Å; L54-L76 HydrophobicContact CD1-CD1 4.24Å; L54-L76 HydrophobicContact CD2-CD1 4.27Å
55	D	98.6	Very high	98.7	Very high	115 Å²	115	40.4 Å²	40.4	62%	0.615	21%	0.213	S	C	*	.	H	α-helix	trans	-61.6	-30.5	179.2	-59.5	-18	0	0	0	112.1	Q51 G57	Q51-D55 PolarHBondContact NE2-OD1 2.84Å; Q51-D55 PolarHBondContact O-N 3.01Å; D55-G57 VanDerWaalsContact C-N 3.34Å
56	Y	98.7	Very high	98.7	Very high	61 Å²	61	40.9 Å²	40.9	24%	0.239	23%	0.225	C	C	.	.	H	α-helix	trans	-76.5	-19.6	175.2	-169.7	-103	0	0	0	113.5	Q52 A53 L54 I154 P156 G157 K160 G166	Q52-Y56 WeakPolarHBondContact O-CB 3.21Å; Q52-Y56 PolarHBondContact O-N 3.27Å; A53-Y56 PolarHBondContact O-N 3.31Å; L54-Y56 PolarHBondContact O-N 3.38Å; Y56-I154 HydrophobicContact CE1-CD1 4.31Å; Y56-P156 WeakPolarHBondContact OH-CA 3.15Å; Y56-G157 PolarHBondContact OH-N 3.27Å; Y56-K160 HydrophobicContact CD1-CB 3.37Å; Y56-K160 HydrophobicContact CD1-CD 4.2Å; Y56-K160 HydrophobicContact CD1-CG 4.39Å; Y56-K160 HydrophobicContact CD2-CD 4.38Å; Y56-K160 HydrophobicContact CE1-CB 3.62Å; Y56-K160 HydrophobicContact CG-CB 4.08Å; Y56-K160 HydrophobicContact CG-CD 4.06Å; Y56-G166 VanDerWaalsContact CE2-CA 3.47Å
57	G	98.4	Very high	98.6	Very high	51 Å²	51	44.2 Å²	44.2	53%	0.526	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	12.6	-175.1	0	0	0	0	0	115.1	A53 L54 D55	A53-G57 PolarHBondContact O-N 3.24Å; L54-G57 PolarHBondContact O-N 2.78Å; D55-G57 VanDerWaalsContact C-N 3.34Å
58	S	98.8	Very high	98.5	Very high	7 Å²	7	46.6 Å²	46.6	5%	0.049	27%	0.267	C	S	.	.			trans	-64.8	140.5	170	-66.5	0	0	0	0	110.6	A53 L60 K160	A53-S58 VanDerWaalsContact O-CB 3.31Å; A53-S58 WeakPolarHBondContact O-CB 3.28Å; A53-S58 PolarHBondContact O-N 3.42Å; S58-L60 PolarHBondContact O-N 3.32Å; S58-K160 PolarHBondContact OG-N 2.65Å; S58-K160 PolarHBondContact OG-O 2.81Å
59	Q	98.8	Very high	98.5	Very high	77 Å²	77	42.5 Å²	42.5	36%	0.36	26%	0.256	S	S	.	.			trans	-77	70.3	175.2	-61.8	-160.8	28.9	0	0	112	K32 V36 V61	K32-Q59 PolarHBondContact O-NE2 2.9Å; V36-Q59 PolarHBondContact N-O 2.85Å; Q59-V61 PolarHBondContact O-N 3.5Å
60	L	98.9	Very high	98.4	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.058	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.6	169.4	-175.4	75.1	0	0	0	109.2	V36 C38 F41 S50 L54 S58 L76	V36-L60 WeakPolarHBondContact O-CA 3.4Å; V36-L60 WeakPolarHBondContact O-CD1 3.37Å; C38-L60 HydrophobicContact CB-CD1 4.2Å; F41-L60 HydrophobicContact CE2-CD2 4Å; F41-L60 HydrophobicContact CZ-CD2 4.45Å; S50-L60 VanDerWaalsContact CB-CD2 3.43Å; L54-L60 HydrophobicContact CD1-CD2 4.28Å; L54-L60 HydrophobicContact CD2-CB 3.91Å; L54-L60 HydrophobicContact CG-CB 4.26Å; L54-L60 HydrophobicContact CG-CD2 4.14Å; S58-L60 PolarHBondContact O-N 3.32Å; L60-L76 HydrophobicContact CB-CD1 4.19Å; L60-L76 HydrophobicContact CD2-CD1 3.71Å; L60-L76 HydrophobicContact CG-CD1 3.75Å; L60-L76 VanDerWaalsContact O-CD1 3.28Å; L60-L76 WeakPolarHBondContact O-CD1 3.33Å
61	V	98.9	Very high	98.4	Very high	31 Å²	31	51.5 Å²	51.5	19%	0.188	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	-0	-171.7	-63.7	0	0	0	0	114.1	K35 V36 I37 Q59 P77 T89 A91	K35-V61 HydrophobicContact CB-CG1 4.03Å; K35-V61 HydrophobicContact CB-CG2 4.12Å; K35-V61 HydrophobicContact CD-CG1 4.26Å; K35-V61 HydrophobicContact CG-CG1 3.98Å; V36-V61 WeakPolarHBondContact O-CG2 3.46Å; V36-V61 PolarHBondContact O-N 2.9Å; I37-V61 HydrophobicContact CG2-CG2 3.84Å; Q59-V61 PolarHBondContact O-N 3.5Å; V61-P77 WeakPolarHBondContact O-CG 3.5Å; V61-T89 HydrophobicContact CB-CG2 4.37Å; V61-T89 HydrophobicContact CG2-CG2 4.11Å; V61-A91 HydrophobicContact CG2-CB 4.34Å
62	G	98.8	Very high	98.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.2	-165.2	179.3	0	0	0	0	0	112.3	I37 C38 P77	I37-G62 WeakPolarHBondContact CA-O 3.41Å; C38-G62 PolarHBondContact N-O 3.34Å; G62-P77 VanDerWaalsContact CA-O 3.23Å; G62-P77 WeakPolarHBondContact CA-O 3.36Å
63	G	98.8	Very high	98.4	Very high	0 Å²	0	52 Å²	52	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	171.9	174.8	0	0	0	0	0	115	C38 P77 V78 F79	C38-G63 CarbonylContact O-C 3.49Å; C38-G63 WeakPolarHBondContact O-CA 3.41Å; G63-P77 PolarHBondContact N-O 3.11Å; G63-P77 VanDerWaalsContact N-O 3.07Å; G63-V78 CarbonylContact O-C 3.3Å; G63-V78 VanDerWaalsContact O-CA 3.3Å; G63-V78 WeakPolarHBondContact O-CA 3.16Å; G63-F79 PolarHBondContact O-N 3.49Å
64	V	98.9	Very high	98.4	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.2	-173.9	-175.9	0	0	0	0	109.5	C38 Q39 G40 F41 F79 V82 A85	C38-V64 PolarHBondContact O-N 2.89Å; Q39-V64 HydrophobicContact CG-CB 4.24Å; Q39-V64 HydrophobicContact CG-CG2 4.37Å; G40-V64 PolarHBondContact N-O 3.39Å; F41-V64 PolarHBondContact N-O 2.7Å; V64-F79 WeakPolarHBondContact CA-O 3.06Å; V64-V82 HydrophobicContact CG2-CG2 4.01Å; V64-A85 HydrophobicContact CG2-CB 3.86Å
65	S	98.4	Very high	98.4	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.063	36%	0.358	C	S	.	.			trans	-150.5	100.1	170.1	-70.8	0	0	0	0	107.8	T42 G67 K68 F79	T42-S65 PolarHBondContact N-OG 2.7Å; T42-S65 WeakPolarHBondContact OG1-CB 3.44Å; T42-S65 PolarHBondContact OG1-OG 2.76Å; S65-G67 PolarHBondContact O-N 3.2Å; S65-K68 WeakPolarHBondContact O-CB 3.29Å; S65-K68 PolarHBondContact O-N 3.31Å; S65-F79 PolarHBondContact N-O 2.7Å
66	P	96.8	Very high	98.4	Very high	107 Å²	107	50.8 Å²	50.8	70%	0.695	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	133.9	-176.2	-29.4	36.3	0	0	0	112.4	K68	P66-K68 VanDerWaalsContact C-N 3.3Å
67	G	97.2	Very high	98.4	Very high	71 Å²	71	50.5 Å²	50.5	73%	0.732	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	2.4	-176.1	0	0	0	0	0	114.7	S65 N80	S65-G67 PolarHBondContact O-N 3.2Å; G67-N80 PolarHBondContact N-OD1 2.74Å
68	K	98.1	Very high	98.4	Very high	87 Å²	87	48.2 Å²	48.2	38%	0.378	32%	0.318	S	S	.	.			trans	-121.8	11.2	176.6	-57.7	-174.2	-174.4	176.9	0	113.6	T42 S65 P66 K71 V78 N80	T42-K68 HydrophobicContact CG2-CD 4.07Å; T42-K68 WeakPolarHBondContact OG1-CD 3.03Å; T42-K68 PolarHBondContact OG1-NZ 2.94Å; S65-K68 WeakPolarHBondContact O-CB 3.29Å; S65-K68 PolarHBondContact O-N 3.31Å; P66-K68 VanDerWaalsContact C-N 3.3Å; K68-K71 HydrophobicContact CB-CD 4.35Å; K68-K71 WeakPolarHBondContact O-CB 3.32Å; K68-K71 WeakPolarHBondContact O-CG 3.22Å; K68-K71 PolarHBondContact O-N 3.22Å; K68-V78 HydrophobicContact CB-CG1 4Å; K68-V78 WeakPolarHBondContact O-CG1 3.22Å; K68-N80 PolarHBondContact N-OD1 2.87Å
69	G	97.6	Very high	98.4	Very high	27 Å²	27	49.4 Å²	49.4	28%	0.278	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	143.3	175.9	0	0	0	0	0	112.9	K71 V78 N80	G69-K71 VanDerWaalsContact C-N 3.28Å; G69-K71 PolarHBondContact O-N 3.44Å; G69-V78 CarbonylContact C-O 3.53Å; G69-V78 VanDerWaalsContact CA-O 3.32Å; G69-V78 WeakPolarHBondContact CA-O 3.49Å; G69-N80 PolarHBondContact N-OD1 2.88Å
70	G	97.5	Very high	98.4	Very high	81 Å²	81	49 Å²	49	84%	0.835	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-5.2	-176.8	0	0	0	0	0	114.6	V78	G70-V78 PolarHBondContact N-O 2.99Å
71	K	98.4	Very high	98.4	Very high	131 Å²	131	49.9 Å²	49.9	57%	0.57	33%	0.33	S	S	*	.			trans	-87.9	171.9	173	-61.2	-173.2	177.8	-177.8	0	111.3	K68 G69 V78	K68-K71 HydrophobicContact CB-CD 4.35Å; K68-K71 WeakPolarHBondContact O-CB 3.32Å; K68-K71 WeakPolarHBondContact O-CG 3.22Å; K68-K71 PolarHBondContact O-N 3.22Å; G69-K71 VanDerWaalsContact C-N 3.28Å; G69-K71 PolarHBondContact O-N 3.44Å; K71-V78 HydrophobicContact CB-CB 4.49Å; K71-V78 WeakPolarHBondContact O-CB 3.25Å; K71-V78 PolarHBondContact O-N 3.49Å
72	T	98.6	Very high	98.4	Very high	111 Å²	111	48.4 Å²	48.4	68%	0.681	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.4	171.2	56.1	0	0	0	0	111.1	L76	T72-L76 CarbonylContact C-O 3.53Å; T72-L76 VanDerWaalsContact CA-O 3.27Å; T72-L76 WeakPolarHBondContact CA-O 3.36Å
73	H	98.8	Very high	98.4	Very high	44 Å²	44	54.3 Å²	54.3	20%	0.204	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	134.3	171.5	-174.1	60.2	0	0	0	109.3	F41 T42 T47 G75 L76 V78	F41-H73 HydrophobicContact CD1-CB 4.15Å; F41-H73 AromaticContact CD2-CD2 3.96Å; F41-H73 HydrophobicContact CE1-CB 3.76Å; F41-H73 WeakPolarHBondContact CE1-O 3.47Å; F41-H73 AromaticContact CE2-CD2 3.85Å; F41-H73 HydrophobicContact CZ-CB 4.18Å; F41-H73 AromaticContact CZ-CD2 3.91Å; F41-H73 VanDerWaalsContact CZ-O 3.29Å; F41-H73 WeakPolarHBondContact CZ-O 3.48Å; T42-H73 HydrophobicContact CG2-CB 4.01Å; T47-H73 WeakPolarHBondContact CG2-NE2 3.3Å; T47-H73 PolarHBondContact OG1-CE1 2.92Å; T47-H73 PolarHBondContact OG1-NE2 2.87Å; H73-G75 PolarHBondContact O-N 3.12Å; H73-G75 VanDerWaalsContact O-N 3.16Å; H73-L76 PolarHBondContact N-O 2.82Å; H73-L76 PolarHBondContact O-N 3.38Å; H73-V78 HydrophobicContact CB-CG2 3.72Å
74	L	98.4	Very high	98.4	Very high	52 Å²	52	58.3 Å²	58.3	27%	0.272	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	32.3	-170.2	-53.1	-179.3	0	0	0	113.5	F41 T47 Q51 L54 L76	F41-L74 HydrophobicContact CE2-CD1 4.08Å; F41-L74 HydrophobicContact CZ-CB 4.39Å; T47-L74 HydrophobicContact CG2-CD2 4.19Å; Q51-L74 HydrophobicContact CB-CD1 4.33Å; L54-L74 HydrophobicContact CD1-CB 4.35Å; L74-L76 PolarHBondContact O-N 2.93Å
75	G	98.4	Very high	98.4	Very high	73 Å²	73	58.2 Å²	58.2	75%	0.753	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	5.5	-175.6	0	0	0	0	0	115.4	H73	H73-G75 PolarHBondContact O-N 3.12Å; H73-G75 VanDerWaalsContact O-N 3.16Å
76	L	98.8	Very high	98.4	Very high	33 Å²	33	60.5 Å²	60.5	17%	0.173	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	154.7	-177.2	-61.9	175.6	0	0	0	112.1	F41 L54 L60 T72 H73 L74	F41-L76 HydrophobicContact CE1-CB 4.24Å; F41-L76 HydrophobicContact CZ-CB 4.09Å; F41-L76 HydrophobicContact CZ-CD1 4.27Å; L54-L76 HydrophobicContact CD1-CD1 4.24Å; L54-L76 HydrophobicContact CD2-CD1 4.27Å; L60-L76 HydrophobicContact CB-CD1 4.19Å; L60-L76 HydrophobicContact CD2-CD1 3.71Å; L60-L76 HydrophobicContact CG-CD1 3.75Å; L60-L76 VanDerWaalsContact O-CD1 3.28Å; L60-L76 WeakPolarHBondContact O-CD1 3.33Å; T72-L76 CarbonylContact C-O 3.53Å; T72-L76 VanDerWaalsContact CA-O 3.27Å; T72-L76 WeakPolarHBondContact CA-O 3.36Å; H73-L76 PolarHBondContact N-O 2.82Å; H73-L76 PolarHBondContact O-N 3.38Å; L74-L76 PolarHBondContact O-N 2.93Å
77	P	98.8	Very high	98.5	Very high	55 Å²	55	62 Å²	62	36%	0.357	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	142	-178.8	27.5	-35.1	0	0	0	112.8	V61 G62 G63 F79	V61-P77 WeakPolarHBondContact O-CG 3.5Å; G62-P77 VanDerWaalsContact CA-O 3.23Å; G62-P77 WeakPolarHBondContact CA-O 3.36Å; G63-P77 PolarHBondContact N-O 3.11Å; G63-P77 VanDerWaalsContact N-O 3.07Å; P77-F79 HydrophobicContact CB-CE2 3.82Å; P77-F79 HydrophobicContact CB-CZ 3.81Å; P77-F79 HydrophobicContact CG-CE2 3.75Å; P77-F79 HydrophobicContact CG-CZ 3.84Å
78	V	98.9	Very high	98.6	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.018	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.6	171.9	-173.1	0	0	0	0	109.2	F41 T42 G63 K68 G69 G70 K71 H73	F41-V78 HydrophobicContact CD1-CG2 4Å; F41-V78 HydrophobicContact CE1-CG2 4.21Å; T42-V78 HydrophobicContact CG2-CG1 4.36Å; T42-V78 HydrophobicContact CG2-CG2 4.19Å; G63-V78 CarbonylContact O-C 3.3Å; G63-V78 VanDerWaalsContact O-CA 3.3Å; G63-V78 WeakPolarHBondContact O-CA 3.16Å; K68-V78 HydrophobicContact CB-CG1 4Å; K68-V78 WeakPolarHBondContact O-CG1 3.22Å; G69-V78 CarbonylContact C-O 3.53Å; G69-V78 VanDerWaalsContact CA-O 3.32Å; G69-V78 WeakPolarHBondContact CA-O 3.49Å; G70-V78 PolarHBondContact N-O 2.99Å; K71-V78 HydrophobicContact CB-CB 4.49Å; K71-V78 WeakPolarHBondContact O-CB 3.25Å; K71-V78 PolarHBondContact O-N 3.49Å; H73-V78 HydrophobicContact CB-CG2 3.72Å
79	F	98.9	Very high	98.6	Very high	32 Å²	32	58.3 Å²	58.3	14%	0.14	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	159.3	-179.4	-57.4	-88.3	0	0	0	111.3	G63 V64 S65 P77 E84 A85 T89	G63-F79 PolarHBondContact O-N 3.49Å; V64-F79 WeakPolarHBondContact CA-O 3.06Å; S65-F79 PolarHBondContact N-O 2.7Å; P77-F79 HydrophobicContact CB-CE2 3.82Å; P77-F79 HydrophobicContact CB-CZ 3.81Å; P77-F79 HydrophobicContact CG-CE2 3.75Å; P77-F79 HydrophobicContact CG-CZ 3.84Å; F79-E84 HydrophobicContact CB-CB 4.27Å; F79-E84 HydrophobicContact CD1-CB 4.09Å; F79-A85 HydrophobicContact CB-CB 3.87Å; F79-A85 HydrophobicContact CD1-CB 4.43Å; F79-A85 HydrophobicContact CD2-CB 3.47Å; F79-A85 VanDerWaalsContact CD2-CB 3.47Å; F79-A85 HydrophobicContact CE2-CB 4.08Å; F79-A85 HydrophobicContact CG-CB 3.67Å; F79-T89 HydrophobicContact CE2-CG2 3.72Å; F79-T89 HydrophobicContact CZ-CG2 3.64Å
80	N	98.6	Very high	98.6	Very high	68 Å²	68	59.1 Å²	59.1	36%	0.364	36%	0.361	S	S	.	.	S	Bend	trans	-83.4	-29.8	176.2	-75.8	-50.8	0	0	0	112.3	G67 K68 G69 E84	G67-N80 PolarHBondContact N-OD1 2.74Å; K68-N80 PolarHBondContact N-OD1 2.87Å; G69-N80 PolarHBondContact N-OD1 2.88Å; N80-E84 WeakPolarHBondContact CB-OE2 3.49Å; N80-E84 PolarHBondContact N-OE2 3.14Å
81	S	98.8	Very high	98.7	Very high	29 Å²	29	55.4 Å²	55.4	20%	0.203	32%	0.323	C	S	.	.	S	Bend	trans	-133.9	159.3	179	67.9	0	0	0	0	113.1	K83 E84 A85 E109	S81-K83 VanDerWaalsContact C-N 3.26Å; S81-K83 PolarHBondContact O-N 3.37Å; S81-E84 PolarHBondContact N-OE2 2.92Å; S81-E84 PolarHBondContact O-N 2.64Å; S81-E84 VanDerWaalsContact OG-CG 3.31Å; S81-E84 WeakPolarHBondContact OG-CG 3.49Å; S81-E84 PolarHBondContact OG-N 3.44Å; S81-A85 PolarHBondContact O-N 3.49Å; S81-A85 VanDerWaalsContact O-N 3.09Å; S81-E109 VanDerWaalsContact CA-OE1 3.27Å; S81-E109 WeakPolarHBondContact CA-OE1 3.49Å; S81-E109 WeakPolarHBondContact CB-OE1 3.43Å
82	V	98.9	Very high	98.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.3	-34.8	173.6	179.5	0	0	0	0	111.3	I37 Q39 V64 A85 K86 E109 A113 I115	I37-V82 HydrophobicContact CD1-CG1 3.97Å; Q39-V82 HydrophobicContact CG-CG2 3.73Å; V64-V82 HydrophobicContact CG2-CG2 4.01Å; V82-A85 PolarHBondContact O-N 3.08Å; V82-K86 WeakPolarHBondContact O-CB 3.36Å; V82-K86 PolarHBondContact O-N 3.35Å; V82-E109 HydrophobicContact CB-CG 4Å; V82-E109 HydrophobicContact CG2-CB 4.35Å; V82-E109 VanDerWaalsContact CG2-CD 3.49Å; V82-E109 HydrophobicContact CG2-CG 3.82Å; V82-E109 PolarHBondContact N-OE1 2.88Å; V82-A113 HydrophobicContact CB-CB 4.08Å; V82-A113 HydrophobicContact CG1-CB 3.63Å; V82-I115 HydrophobicContact CG1-CD1 3.82Å; V82-I115 HydrophobicContact CG1-CG1 3.51Å
83	K	98.8	Very high	98.7	Very high	125 Å²	125	48.3 Å²	48.3	54%	0.543	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-53	176.8	-178.1	179.5	174.4	-177.5	0	111.3	S81 A85 K86 E87 A113	S81-K83 VanDerWaalsContact C-N 3.26Å; S81-K83 PolarHBondContact O-N 3.37Å; K83-A85 VanDerWaalsContact C-N 3.3Å; K83-A85 PolarHBondContact O-N 3.3Å; K83-K86 PolarHBondContact O-N 2.94Å; K83-E87 WeakPolarHBondContact CE-OE1 3.35Å; K83-E87 WeakPolarHBondContact CG-OE1 3.48Å; K83-E87 WeakPolarHBondContact O-CG 3.41Å; K83-E87 PolarHBondContact O-N 3.35Å; K83-A113 HydrophobicContact CB-CB 4.44Å
84	E	98.8	Very high	98.7	Very high	84 Å²	84	46.2 Å²	46.2	39%	0.393	27%	0.274	S	S	.	.	H	α-helix	trans	-57.1	-44.7	175.7	-73.4	166.5	-166.1	0	0	111.5	F79 N80 S81 K86 E87 G88	F79-E84 HydrophobicContact CB-CB 4.27Å; F79-E84 HydrophobicContact CD1-CB 4.09Å; N80-E84 WeakPolarHBondContact CB-OE2 3.49Å; N80-E84 PolarHBondContact N-OE2 3.14Å; S81-E84 PolarHBondContact N-OE2 2.92Å; S81-E84 PolarHBondContact O-N 2.64Å; S81-E84 VanDerWaalsContact OG-CG 3.31Å; S81-E84 WeakPolarHBondContact OG-CG 3.49Å; S81-E84 PolarHBondContact OG-N 3.44Å; E84-K86 PolarHBondContact O-N 2.92Å; E84-E87 PolarHBondContact O-N 3.24Å; E84-G88 PolarHBondContact O-N 2.91Å
85	A	98.9	Very high	98.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-42.8	179.3	0	0	0	0	0	112	I37 V64 F79 S81 V82 K83 T89	I37-A85 HydrophobicContact CD1-CB 3.73Å; I37-A85 HydrophobicContact CG2-CB 4.29Å; V64-A85 HydrophobicContact CG2-CB 3.86Å; F79-A85 HydrophobicContact CB-CB 3.87Å; F79-A85 HydrophobicContact CD1-CB 4.43Å; F79-A85 HydrophobicContact CD2-CB 3.47Å; F79-A85 VanDerWaalsContact CD2-CB 3.47Å; F79-A85 HydrophobicContact CE2-CB 4.08Å; F79-A85 HydrophobicContact CG-CB 3.67Å; S81-A85 PolarHBondContact O-N 3.49Å; S81-A85 VanDerWaalsContact O-N 3.09Å; V82-A85 PolarHBondContact O-N 3.08Å; K83-A85 VanDerWaalsContact C-N 3.3Å; K83-A85 PolarHBondContact O-N 3.3Å; A85-T89 WeakPolarHBondContact O-CB 3.36Å; A85-T89 WeakPolarHBondContact O-CG2 3.43Å; A85-T89 PolarHBondContact O-N 3.16Å; A85-T89 VanDerWaalsContact O-N 3.12Å; A85-T89 PolarHBondContact O-OG1 2.87Å
86	K	98.8	Very high	98.8	Very high	58 Å²	58	40.6 Å²	40.6	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-50.5	177	-171	-172.9	-176.2	-171.9	0	111.2	V82 K83 E84 G88 T89 G90 A113 E114 I115	V82-K86 WeakPolarHBondContact O-CB 3.36Å; V82-K86 PolarHBondContact O-N 3.35Å; K83-K86 PolarHBondContact O-N 2.94Å; E84-K86 PolarHBondContact O-N 2.92Å; K86-G88 PolarHBondContact O-N 3.25Å; K86-T89 PolarHBondContact O-N 2.96Å; K86-G90 VanDerWaalsContact O-CA 3.29Å; K86-G90 WeakPolarHBondContact O-CA 3.46Å; K86-G90 PolarHBondContact O-N 3.07Å; K86-A113 WeakPolarHBondContact CD-O 3.37Å; K86-A113 WeakPolarHBondContact CE-O 3.2Å; K86-A113 PolarHBondContact NZ-O 3.49Å; K86-E114 VanDerWaalsContact NZ-C 3.33Å; K86-E114 PolarHBondContact NZ-O 3.09Å; K86-I115 HydrophobicContact CB-CD1 3.84Å; K86-I115 HydrophobicContact CD-CD1 3.85Å; K86-I115 HydrophobicContact CG-CD1 3.8Å
87	E	98.7	Very high	98.8	Very high	139 Å²	139	40.4 Å²	40.4	65%	0.65	22%	0.224	S	C	*	.	H	α-helix	trans	-62.8	-41.6	-179.3	-71.1	170.4	178.3	0	0	111.6	K83 E84	K83-E87 WeakPolarHBondContact CE-OE1 3.35Å; K83-E87 WeakPolarHBondContact CG-OE1 3.48Å; K83-E87 WeakPolarHBondContact O-CG 3.41Å; K83-E87 PolarHBondContact O-N 3.35Å; E84-E87 PolarHBondContact O-N 3.24Å
88	G	98.5	Very high	98.8	Very high	58 Å²	58	38.8 Å²	38.8	60%	0.598	21%	0.214	S	C	*	.	H	α-helix	trans	-75.9	-19.3	-178.2	0	0	0	0	0	115.2	E84 K86	E84-G88 PolarHBondContact O-N 2.91Å; K86-G88 PolarHBondContact O-N 3.25Å
89	T	98.7	Very high	98.8	Very high	22 Å²	22	42.2 Å²	42.2	14%	0.135	24%	0.236	C	C	.	.	H	α-helix	trans	-125.4	-18.2	-172.9	68.7	0	0	0	0	114.6	K35 V61 F79 A85 K86 A91	K35-T89 WeakPolarHBondContact CD-O 3.32Å; K35-T89 PolarHBondContact NZ-O 3.28Å; V61-T89 HydrophobicContact CB-CG2 4.37Å; V61-T89 HydrophobicContact CG2-CG2 4.11Å; F79-T89 HydrophobicContact CE2-CG2 3.72Å; F79-T89 HydrophobicContact CZ-CG2 3.64Å; A85-T89 WeakPolarHBondContact O-CB 3.36Å; A85-T89 WeakPolarHBondContact O-CG2 3.43Å; A85-T89 PolarHBondContact O-N 3.16Å; A85-T89 VanDerWaalsContact O-N 3.12Å; A85-T89 PolarHBondContact O-OG1 2.87Å; K86-T89 PolarHBondContact O-N 2.96Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 WeakPolarHBondContact OG1-CB 3.32Å; T89-A91 PolarHBondContact OG1-N 3.01Å
90	G	98.6	Very high	98.7	Very high	43 Å²	43	42.9 Å²	42.9	44%	0.443	24%	0.244	S	C	.	.			trans	67.9	32	-169.2	0	0	0	0	0	112.9	K86 E92	K86-G90 VanDerWaalsContact O-CA 3.29Å; K86-G90 WeakPolarHBondContact O-CA 3.46Å; K86-G90 PolarHBondContact O-N 3.07Å; G90-E92 PolarHBondContact O-N 3.14Å
91	A	98.8	Very high	98.7	Very high	3 Å²	3	44.3 Å²	44.3	3%	0.025	26%	0.256	C	S	.	.			trans	-60.7	134.2	-178.8	0	0	0	0	0	112.5	I37 V61 T89	I37-A91 HydrophobicContact CB-CB 4.33Å; I37-A91 HydrophobicContact CD1-CB 4.26Å; I37-A91 HydrophobicContact CG1-CB 3.94Å; I37-A91 HydrophobicContact CG2-CB 3.64Å; V61-A91 HydrophobicContact CG2-CB 4.34Å; T89-A91 VanDerWaalsContact C-N 3.34Å; T89-A91 WeakPolarHBondContact OG1-CB 3.32Å; T89-A91 PolarHBondContact OG1-N 3.01Å
92	E	98.8	Very high	98.7	Very high	93 Å²	93	49.2 Å²	49.2	44%	0.435	27%	0.274	S	S	.	.			trans	-104.6	-15.6	178.5	-62.5	177.8	118.3	0	0	111.8	K35 G90 P116 L117	K35-E92 PolarHBondContact O-N 3.44Å; G90-E92 PolarHBondContact O-N 3.14Å; E92-P116 HydrophobicContact CB-CG 4.32Å; E92-P116 VanDerWaalsContact O-CB 3.25Å; E92-P116 WeakPolarHBondContact O-CB 3.43Å; E92-P116 WeakPolarHBondContact O-CD 3.2Å; E92-P116 WeakPolarHBondContact O-CG 3.44Å; E92-L117 PolarHBondContact O-N 3.4Å
93	A	98.9	Very high	98.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.2	177.6	0	0	0	0	0	112.6	T34 K35 V36 I37 L117 I161	T34-A93 HydrophobicContact CG2-CB 3.82Å; K35-A93 PolarHBondContact O-N 2.92Å; V36-A93 CarbonylContact C-O 3.44Å; V36-A93 WeakPolarHBondContact CA-O 3.27Å; V36-A93 HydrophobicContact CG2-CB 4.29Å; I37-A93 WeakPolarHBondContact CG1-O 3.35Å; I37-A93 PolarHBondContact N-O 3.45Å; A93-L117 CarbonylContact C-O 3.53Å; A93-L117 WeakPolarHBondContact CA-O 3.49Å; A93-L117 HydrophobicContact CB-CB 4.03Å; A93-L117 HydrophobicContact CB-CD2 4.39Å; A93-I161 HydrophobicContact CB-CD1 3.7Å
94	T	98.9	Very high	98.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	141	170.1	-173.1	0	0	0	0	111.9	I37 Q39 A110 I115 L117 A118 V119	I37-T94 CarbonylContact O-C 3.53Å; I37-T94 WeakPolarHBondContact O-CA 3.27Å; I37-T94 PolarHBondContact O-OG1 2.87Å; Q39-T94 VanDerWaalsContact NE2-CG2 3.34Å; Q39-T94 PolarHBondContact NE2-OG1 3.09Å; Q39-T94 VanDerWaalsContact NE2-OG1 3.08Å; T94-A110 HydrophobicContact CG2-CB 3.74Å; T94-I115 HydrophobicContact CG2-CB 4.39Å; T94-I115 HydrophobicContact CG2-CG1 4.46Å; T94-I115 HydrophobicContact CG2-CG2 3.93Å; T94-L117 PolarHBondContact N-O 2.92Å; T94-A118 HydrophobicContact CG2-CB 3.82Å; T94-A118 CarbonylContact O-C 3.59Å; T94-A118 WeakPolarHBondContact O-CA 3.45Å; T94-V119 PolarHBondContact O-N 3.32Å
95	V	98.9	Very high	98.7	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.6	168.8	63.9	0	0	0	0	110.1	V36 I37 C38 Q39 Y97 V119 I121 I161	V36-V95 HydrophobicContact CG1-CG1 4.4Å; I37-V95 PolarHBondContact O-N 3.1Å; C38-V95 CarbonylContact C-O 3.6Å; C38-V95 HydrophobicContact CB-CG1 4.16Å; Q39-V95 PolarHBondContact N-O 3.39Å; V95-Y97 HydrophobicContact CB-CE2 4.12Å; V95-Y97 HydrophobicContact CG1-CD2 4.14Å; V95-Y97 HydrophobicContact CG1-CE2 3.6Å; V95-Y97 HydrophobicContact CG2-CD2 4.09Å; V95-Y97 HydrophobicContact CG2-CE2 3.41Å; V95-Y97 VanDerWaalsContact CG2-CE2 3.41Å; V95-V119 CarbonylContact C-O 3.56Å; V95-V119 WeakPolarHBondContact CA-O 3.49Å; V95-I121 HydrophobicContact CG2-CD1 4.37Å; V95-I121 HydrophobicContact CG2-CG1 3.84Å; V95-I161 HydrophobicContact CB-CG2 3.71Å; V95-I161 HydrophobicContact CG2-CG2 4.09Å
96	I	98.9	Very high	98.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.2	-173.5	-56.4	167.7	0	0	0	109.3	Q39 V98 A106 I107 V119 C120 I121	Q39-I96 HydrophobicContact CB-CG1 4.13Å; I96-V98 HydrophobicContact CG2-CB 3.78Å; I96-V98 HydrophobicContact CG2-CG2 3.85Å; I96-A106 HydrophobicContact CG2-CB 3.94Å; I96-I107 HydrophobicContact CD1-CB 4.33Å; I96-I107 HydrophobicContact CD1-CG1 3.59Å; I96-V119 PolarHBondContact N-O 3.48Å; I96-C120 HydrophobicContact CB-CB 4.41Å; I96-C120 HydrophobicContact CD1-CB 4.3Å; I96-I121 PolarHBondContact O-N 3.42Å; I96-I121 VanDerWaalsContact O-N 3.17Å
97	Y	98.9	Very high	98.7	Very high	28 Å²	28	40.3 Å²	40.3	11%	0.11	25%	0.25	C	C	.	.			trans	-113.3	29.7	172.3	-64.1	-76.8	0	0	0	111.6	Q39 Q45 H49 V95 I121 G162 I163	Q39-Y97 PolarHBondContact O-N 3.05Å; Q45-Y97 HydrophobicContact CB-CD1 4.16Å; Q45-Y97 HydrophobicContact CB-CG 4.48Å; H49-Y97 HydrophobicContact CB-CE1 4.02Å; H49-Y97 HydrophobicContact CB-CE2 4Å; H49-Y97 VanDerWaalsContact CB-OH 3.25Å; H49-Y97 WeakPolarHBondContact CB-OH 3.46Å; H49-Y97 AromaticContact CD2-CE1 3.63Å; H49-Y97 AromaticContact CG-CE1 4Å; H49-Y97 AromaticContact CG-CZ 3.95Å; V95-Y97 HydrophobicContact CB-CE2 4.12Å; V95-Y97 HydrophobicContact CG1-CD2 4.14Å; V95-Y97 HydrophobicContact CG1-CE2 3.6Å; V95-Y97 HydrophobicContact CG2-CD2 4.09Å; V95-Y97 HydrophobicContact CG2-CE2 3.41Å; V95-Y97 VanDerWaalsContact CG2-CE2 3.41Å; Y97-I121 HydrophobicContact CD1-CB 4.05Å; Y97-I121 HydrophobicContact CD1-CG1 4.13Å; Y97-I121 HydrophobicContact CD1-CG2 4.25Å; Y97-I121 HydrophobicContact CE1-CB 3.92Å; Y97-I121 HydrophobicContact CE1-CG1 3.6Å; Y97-I121 HydrophobicContact CE1-CG2 3.96Å; Y97-G162 WeakPolarHBondContact OH-CA 3.36Å; Y97-G162 PolarHBondContact OH-O 3.47Å; Y97-I163 HydrophobicContact CE1-CG2 3.63Å
98	V	98.6	Very high	98.7	Very high	22 Å²	22	36.2 Å²	36.2	13%	0.133	23%	0.231	C	C	.	.			trans	-81.2	138	-177.9	174.5	0	0	0	0	109.8	Q39 I96 F102 A106 T122	Q39-V98 HydrophobicContact CB-CG2 4.19Å; I96-V98 HydrophobicContact CG2-CB 3.78Å; I96-V98 HydrophobicContact CG2-CG2 3.85Å; V98-F102 HydrophobicContact CG1-CB 3.54Å; V98-A106 HydrophobicContact CB-CB 4.23Å; V98-A106 HydrophobicContact CG1-CB 4.34Å; V98-A106 HydrophobicContact CG2-CB 3.98Å; V98-T122 WeakPolarHBondContact O-CB 3.31Å; V98-T122 WeakPolarHBondContact O-CG2 3.37Å; V98-T122 PolarHBondContact O-OG1 2.9Å
99	P	98.4	Very high	98.8	Very high	75 Å²	75	36.3 Å²	36.3	49%	0.487	22%	0.216	S	C	.	.			trans	-57	156.9	179.6	-27.5	35.9	0	0	0	114.4	P101 F102 A103	P99-P101 VanDerWaalsContact C-CD 3.46Å; P99-F102 HydrophobicContact CB-CD2 4.41Å; P99-F102 PolarHBondContact O-N 3.47Å; P99-A103 PolarHBondContact O-N 2.7Å
100	P	98.4	Very high	98.8	Very high	46 Å²	46	35.2 Å²	35.2	30%	0.299	21%	0.21	S	C	.	.	H	α-helix	trans	-53.4	-41.4	-171.3	-24.1	32.7	0	0	0	115.8	F102 A103 T122 E123 G124	P100-F102 PolarHBondContact O-N 3.19Å; P100-F102 VanDerWaalsContact O-N 3.09Å; P100-A103 PolarHBondContact O-N 2.84Å; P100-T122 HydrophobicContact CB-CG2 4.24Å; P100-T122 HydrophobicContact CG-CG2 3.86Å; P100-E123 VanDerWaalsContact CG-O 3.24Å; P100-E123 WeakPolarHBondContact CG-O 3.33Å; P100-G124 WeakPolarHBondContact CB-O 3.16Å
101	P	98.5	Very high	98.8	Very high	97 Å²	97	33.6 Å²	33.6	63%	0.63	19%	0.191	S	C	*	.	H	α-helix	trans	-60.7	-20.6	178.9	-26.1	36.3	0	0	0	114.9	P99	P99-P101 VanDerWaalsContact C-CD 3.46Å
102	F	98.5	Very high	98.8	Very high	132 Å²	132	38.2 Å²	38.2	58%	0.579	22%	0.215	S	C	*	.	H	α-helix	trans	-119.2	-10.2	-173.5	-46.1	-61.5	0	0	0	113.1	V98 P99 P100 A104 A105 A106	V98-F102 HydrophobicContact CG1-CB 3.54Å; P99-F102 HydrophobicContact CB-CD2 4.41Å; P99-F102 PolarHBondContact O-N 3.47Å; P100-F102 PolarHBondContact O-N 3.19Å; P100-F102 VanDerWaalsContact O-N 3.09Å; F102-A104 PolarHBondContact O-N 2.91Å; F102-A105 WeakPolarHBondContact O-CB 3.41Å; F102-A105 PolarHBondContact O-N 2.98Å; F102-A105 VanDerWaalsContact O-N 3.17Å; F102-A106 PolarHBondContact O-N 2.71Å
103	A	98.8	Very high	98.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.7	-35.3	-173.6	0	0	0	0	0	113.2	P99 P100 A105 A106 I107 T122 I125	P99-A103 PolarHBondContact O-N 2.7Å; P100-A103 PolarHBondContact O-N 2.84Å; A103-A105 VanDerWaalsContact C-N 3.32Å; A103-A105 PolarHBondContact O-N 2.99Å; A103-A106 PolarHBondContact O-N 2.85Å; A103-I107 VanDerWaalsContact O-CG1 3.31Å; A103-I107 WeakPolarHBondContact O-CG1 3.32Å; A103-I107 PolarHBondContact O-N 3.04Å; A103-T122 HydrophobicContact CB-CG2 3.83Å; A103-I125 HydrophobicContact CB-CD1 3.45Å; A103-I125 VanDerWaalsContact CB-CD1 3.45Å; A103-I125 HydrophobicContact CB-CG1 3.85Å
104	A	98.9	Very high	98.8	Very high	10 Å²	10	40.1 Å²	40.1	8%	0.083	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-39.4	174.4	0	0	0	0	0	112.2	F102 I107 I108 I125 D129 V133	F102-A104 PolarHBondContact O-N 2.91Å; A104-I107 PolarHBondContact O-N 2.73Å; A104-I108 WeakPolarHBondContact O-CG1 3.28Å; A104-I108 PolarHBondContact O-N 2.92Å; A104-I125 HydrophobicContact CB-CG2 4.12Å; A104-D129 HydrophobicContact CB-CB 3.75Å; A104-V133 HydrophobicContact CB-CG2 4.1Å
105	A	98.8	Very high	98.8	Very high	65 Å²	65	40.1 Å²	40.1	54%	0.537	23%	0.226	S	C	.	.	H	α-helix	trans	-66.3	-42	175.4	0	0	0	0	0	111.5	F102 A103 I107 I108 E109	F102-A105 WeakPolarHBondContact O-CB 3.41Å; F102-A105 PolarHBondContact O-N 2.98Å; F102-A105 VanDerWaalsContact O-N 3.17Å; A103-A105 VanDerWaalsContact C-N 3.32Å; A103-A105 PolarHBondContact O-N 2.99Å; A105-I107 VanDerWaalsContact C-N 3.33Å; A105-I107 PolarHBondContact O-N 3.12Å; A105-I108 PolarHBondContact O-N 3.05Å; A105-I108 VanDerWaalsContact O-N 3.15Å; A105-E109 PolarHBondContact O-N 2.99Å
106	A	98.9	Very high	98.8	Very high	6 Å²	6	41.5 Å²	41.5	5%	0.05	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-38.5	174.6	0	0	0	0	0	112.7	Q39 I96 V98 F102 A103 E109 A110	Q39-A106 PolarHBondContact OE1-O 3.1Å; I96-A106 HydrophobicContact CG2-CB 3.94Å; V98-A106 HydrophobicContact CB-CB 4.23Å; V98-A106 HydrophobicContact CG1-CB 4.34Å; V98-A106 HydrophobicContact CG2-CB 3.98Å; F102-A106 PolarHBondContact O-N 2.71Å; A103-A106 PolarHBondContact O-N 2.85Å; A106-E109 PolarHBondContact O-N 3.44Å; A106-A110 PolarHBondContact O-N 2.94Å; A106-A110 VanDerWaalsContact O-N 3.1Å
107	I	98.9	Very high	98.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.6	-46.4	172.8	-65.1	163.1	0	0	0	110.5	I96 A103 A104 A105 E109 A110 I111 C120 I125 M130 V133 L145	I96-I107 HydrophobicContact CD1-CB 4.33Å; I96-I107 HydrophobicContact CD1-CG1 3.59Å; A103-I107 VanDerWaalsContact O-CG1 3.31Å; A103-I107 WeakPolarHBondContact O-CG1 3.32Å; A103-I107 PolarHBondContact O-N 3.04Å; A104-I107 PolarHBondContact O-N 2.73Å; A105-I107 VanDerWaalsContact C-N 3.33Å; A105-I107 PolarHBondContact O-N 3.12Å; I107-E109 VanDerWaalsContact C-N 3.3Å; I107-E109 PolarHBondContact O-N 3.02Å; I107-A110 PolarHBondContact O-N 2.8Å; I107-I111 HydrophobicContact CG2-CD1 3.91Å; I107-I111 HydrophobicContact CG2-CG1 4.46Å; I107-I111 WeakPolarHBondContact O-CG1 3.29Å; I107-I111 PolarHBondContact O-N 2.97Å; I107-C120 HydrophobicContact CD1-CB 3.97Å; I107-C120 HydrophobicContact CG1-CB 4.12Å; I107-I125 HydrophobicContact CD1-CD1 4.15Å; I107-M130 HydrophobicContact CD1-SD 3.96Å; I107-V133 HydrophobicContact CB-CG1 4.41Å; I107-V133 HydrophobicContact CB-CG2 4.5Å; I107-V133 HydrophobicContact CG2-CG1 3.55Å; I107-V133 HydrophobicContact CG2-CG2 4.44Å; I107-L145 HydrophobicContact CD1-CD1 4.4Å; I107-L145 HydrophobicContact CD1-CD2 4.36Å; I107-L145 HydrophobicContact CG1-CD1 4.28Å; I107-L145 HydrophobicContact CG2-CD1 4.1Å; I107-L145 HydrophobicContact CG2-CD2 4.05Å
108	I	98.9	Very high	98.8	Very high	52 Å²	52	40.3 Å²	40.3	27%	0.267	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-40.9	179	-70.8	168.2	0	0	0	110.8	A104 A105 A110 I111 D112 V133 K136	A104-I108 WeakPolarHBondContact O-CG1 3.28Å; A104-I108 PolarHBondContact O-N 2.92Å; A105-I108 PolarHBondContact O-N 3.05Å; A105-I108 VanDerWaalsContact O-N 3.15Å; I108-A110 VanDerWaalsContact C-N 3.34Å; I108-A110 PolarHBondContact O-N 2.82Å; I108-I111 WeakPolarHBondContact O-CB 3.31Å; I108-I111 PolarHBondContact O-N 3.25Å; I108-I111 VanDerWaalsContact O-N 3.16Å; I108-D112 WeakPolarHBondContact CG2-OD2 3.48Å; I108-D112 PolarHBondContact O-N 3.28Å; I108-V133 HydrophobicContact CD1-CG2 4.32Å; I108-V133 HydrophobicContact CG1-CG2 4.15Å; I108-K136 HydrophobicContact CG1-CD 4.27Å; I108-K136 HydrophobicContact CG2-CD 3.99Å
109	E	98.9	Very high	98.8	Very high	60 Å²	60	39.3 Å²	39.3	28%	0.28	23%	0.225	S	C	.	.	H	α-helix	trans	-59.9	-42.2	175.7	-166.6	-171.7	172.4	0	0	112	S81 V82 A105 A106 I107 I111 D112 A113	S81-E109 VanDerWaalsContact CA-OE1 3.27Å; S81-E109 WeakPolarHBondContact CA-OE1 3.49Å; S81-E109 WeakPolarHBondContact CB-OE1 3.43Å; V82-E109 HydrophobicContact CB-CG 4Å; V82-E109 HydrophobicContact CG2-CB 4.35Å; V82-E109 VanDerWaalsContact CG2-CD 3.49Å; V82-E109 HydrophobicContact CG2-CG 3.82Å; V82-E109 PolarHBondContact N-OE1 2.88Å; A105-E109 PolarHBondContact O-N 2.99Å; A106-E109 PolarHBondContact O-N 3.44Å; I107-E109 VanDerWaalsContact C-N 3.3Å; I107-E109 PolarHBondContact O-N 3.02Å; E109-I111 VanDerWaalsContact C-N 3.34Å; E109-I111 PolarHBondContact O-N 2.78Å; E109-D112 PolarHBondContact O-N 3.28Å; E109-A113 WeakPolarHBondContact O-CB 3.38Å; E109-A113 PolarHBondContact O-N 2.9Å
110	A	98.9	Very high	98.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-36.7	175	0	0	0	0	0	113.5	T94 A106 I107 I108 E114 I115 A118	T94-A110 HydrophobicContact CG2-CB 3.74Å; A106-A110 PolarHBondContact O-N 2.94Å; A106-A110 VanDerWaalsContact O-N 3.1Å; I107-A110 PolarHBondContact O-N 2.8Å; I108-A110 VanDerWaalsContact C-N 3.34Å; I108-A110 PolarHBondContact O-N 2.82Å; A110-E114 PolarHBondContact O-N 3.27Å; A110-I115 HydrophobicContact CB-CG1 4.44Å; A110-I115 PolarHBondContact O-N 2.97Å; A110-A118 HydrophobicContact CB-CB 4.16Å
111	I	98.8	Very high	98.8	Very high	9 Å²	9	34.5 Å²	34.5	5%	0.046	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-45.2	174.7	-63.9	163.8	0	0	0	110.1	I107 I108 E109 A113 E114 V133 K136 L137 Q140 T143	I107-I111 HydrophobicContact CG2-CD1 3.91Å; I107-I111 HydrophobicContact CG2-CG1 4.46Å; I107-I111 WeakPolarHBondContact O-CG1 3.29Å; I107-I111 PolarHBondContact O-N 2.97Å; I108-I111 WeakPolarHBondContact O-CB 3.31Å; I108-I111 PolarHBondContact O-N 3.25Å; I108-I111 VanDerWaalsContact O-N 3.16Å; E109-I111 VanDerWaalsContact C-N 3.34Å; E109-I111 PolarHBondContact O-N 2.78Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 3.47Å; I111-E114 WeakPolarHBondContact O-CA 3.12Å; I111-E114 PolarHBondContact O-N 3.09Å; I111-V133 HydrophobicContact CD1-CG1 4.49Å; I111-K136 HydrophobicContact CB-CD 4.42Å; I111-K136 HydrophobicContact CD1-CD 4.33Å; I111-K136 HydrophobicContact CG2-CD 4.03Å; I111-K136 HydrophobicContact CG2-CG 4.21Å; I111-L137 HydrophobicContact CD1-CD2 3.5Å; I111-L137 VanDerWaalsContact CD1-CD2 3.5Å; I111-L137 HydrophobicContact CD1-CG 3.7Å; I111-L137 HydrophobicContact CG1-CD2 3.83Å; I111-Q140 HydrophobicContact CG2-CG 3.95Å; I111-T143 HydrophobicContact CG1-CG2 3.97Å
112	D	98.8	Very high	98.8	Very high	100 Å²	100	30.5 Å²	30.5	54%	0.535	17%	0.166	S	C	.	.	H	α-helix	trans	-68.2	-31.9	-179.3	-76.1	-35.3	0	0	0	112.8	I108 E109 E114 K136	I108-D112 WeakPolarHBondContact CG2-OD2 3.48Å; I108-D112 PolarHBondContact O-N 3.28Å; E109-D112 PolarHBondContact O-N 3.28Å; D112-E114 PolarHBondContact O-N 2.97Å; D112-K136 WeakPolarHBondContact OD1-CE 3.31Å; D112-K136 IonicContact OD1-NZ 2.77Å; D112-K136 PolarHBondContact OD1-NZ 3.28Å; D112-K136 IonicContact OD2-NZ 3.04Å; D112-K136 PolarHBondContact OD2-NZ 2.65Å
113	A	98.8	Very high	98.8	Very high	14 Å²	14	29.4 Å²	29.4	12%	0.116	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.9	170.1	0	0	0	0	0	113.2	V82 K83 K86 E109 I111 I115	V82-A113 HydrophobicContact CB-CB 4.08Å; V82-A113 HydrophobicContact CG1-CB 3.63Å; K83-A113 HydrophobicContact CB-CB 4.44Å; K86-A113 WeakPolarHBondContact CD-O 3.37Å; K86-A113 WeakPolarHBondContact CE-O 3.2Å; K86-A113 PolarHBondContact NZ-O 3.49Å; E109-A113 WeakPolarHBondContact O-CB 3.38Å; E109-A113 PolarHBondContact O-N 2.9Å; I111-A113 VanDerWaalsContact C-N 3.33Å; I111-A113 PolarHBondContact O-N 3.47Å; A113-I115 VanDerWaalsContact C-N 3.28Å; A113-I115 HydrophobicContact CB-CG1 4.33Å; A113-I115 PolarHBondContact O-N 2.99Å
114	E	98.7	Very high	98.8	Very high	119 Å²	119	31.7 Å²	31.7	56%	0.556	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	41.1	-178	-59.5	-174.6	158	0	0	113.1	K86 A110 I111 D112 P116 A142	K86-E114 VanDerWaalsContact NZ-C 3.33Å; K86-E114 PolarHBondContact NZ-O 3.09Å; A110-E114 PolarHBondContact O-N 3.27Å; I111-E114 WeakPolarHBondContact O-CA 3.12Å; I111-E114 PolarHBondContact O-N 3.09Å; D112-E114 PolarHBondContact O-N 2.97Å; E114-P116 WeakPolarHBondContact O-CD 3.29Å; E114-A142 HydrophobicContact CB-CB 3.9Å; E114-A142 HydrophobicContact CG-CB 4.08Å
115	I	98.9	Very high	98.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.			trans	-64.9	125.5	172.7	-63	-70.1	0	0	0	108.1	I37 V82 K86 T94 A110 A113 L117 T143	I37-I115 HydrophobicContact CD1-CD1 4.12Å; V82-I115 HydrophobicContact CG1-CD1 3.82Å; V82-I115 HydrophobicContact CG1-CG1 3.51Å; K86-I115 HydrophobicContact CB-CD1 3.84Å; K86-I115 HydrophobicContact CD-CD1 3.85Å; K86-I115 HydrophobicContact CG-CD1 3.8Å; T94-I115 HydrophobicContact CG2-CB 4.39Å; T94-I115 HydrophobicContact CG2-CG1 4.46Å; T94-I115 HydrophobicContact CG2-CG2 3.93Å; A110-I115 HydrophobicContact CB-CG1 4.44Å; A110-I115 PolarHBondContact O-N 2.97Å; A113-I115 VanDerWaalsContact C-N 3.28Å; A113-I115 HydrophobicContact CB-CG1 4.33Å; A113-I115 PolarHBondContact O-N 2.99Å; I115-L117 WeakPolarHBondContact CG2-O 3.32Å; I115-L117 PolarHBondContact O-N 3.07Å; I115-T143 VanDerWaalsContact O-CA 3.27Å; I115-T143 WeakPolarHBondContact O-CA 3.39Å; I115-T143 WeakPolarHBondContact O-CB 3.25Å; I115-T143 VanDerWaalsContact O-CG2 3.23Å; I115-T143 WeakPolarHBondContact O-CG2 3.39Å; I115-T143 PolarHBondContact O-OG1 2.87Å
116	P	98.9	Very high	98.8	Very high	37 Å²	37	31.4 Å²	31.4	24%	0.24	18%	0.178	C	C	.	.	S	Bend	trans	-54.2	-44.7	-177.9	-26.9	30.8	0	0	0	114.4	N27 E92 E114 A142 T143 R144	N27-P116 HydrophobicContact CB-CB 4.42Å; N27-P116 WeakPolarHBondContact CB-O 3.43Å; N27-P116 PolarHBondContact ND2-O 3.19Å; E92-P116 HydrophobicContact CB-CG 4.32Å; E92-P116 VanDerWaalsContact O-CB 3.25Å; E92-P116 WeakPolarHBondContact O-CB 3.43Å; E92-P116 WeakPolarHBondContact O-CD 3.2Å; E92-P116 WeakPolarHBondContact O-CG 3.44Å; E114-P116 WeakPolarHBondContact O-CD 3.29Å; P116-A142 WeakPolarHBondContact CA-O 3.37Å; P116-T143 CarbonylContact O-C 3.54Å; P116-T143 WeakPolarHBondContact O-CA 3.41Å; P116-R144 PolarHBondContact O-N 3.44Å
117	L	98.9	Very high	98.8	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.7	177.7	-179.9	67.2	0	0	0	112.5	N27 L28 I30 E92 A93 T94 I115 V119 R144 V146 I161	N27-L117 HydrophobicContact CB-CB 4.44Å; L28-L117 HydrophobicContact CD2-CD1 4.4Å; I30-L117 HydrophobicContact CG2-CD2 3.35Å; E92-L117 PolarHBondContact O-N 3.4Å; A93-L117 CarbonylContact C-O 3.53Å; A93-L117 WeakPolarHBondContact CA-O 3.49Å; A93-L117 HydrophobicContact CB-CB 4.03Å; A93-L117 HydrophobicContact CB-CD2 4.39Å; T94-L117 PolarHBondContact N-O 2.92Å; I115-L117 WeakPolarHBondContact CG2-O 3.32Å; I115-L117 PolarHBondContact O-N 3.07Å; L117-V119 HydrophobicContact CD1-CG2 4.44Å; L117-V119 HydrophobicContact CD2-CG2 4.08Å; L117-V119 HydrophobicContact CG-CG2 4.03Å; L117-R144 CarbonylContact C-O 3.59Å; L117-R144 HydrophobicContact CD1-CB 4.18Å; L117-R144 HydrophobicContact CD1-CG 3.95Å; L117-V146 HydrophobicContact CD1-CG2 4.04Å; L117-I161 HydrophobicContact CD2-CD1 4.24Å
118	A	98.9	Very high	98.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.4	168	0	0	0	0	0	110.4	T94 A110 T143 R144 L145 V146	T94-A118 HydrophobicContact CG2-CB 3.82Å; T94-A118 CarbonylContact O-C 3.59Å; T94-A118 WeakPolarHBondContact O-CA 3.45Å; A110-A118 HydrophobicContact CB-CB 4.16Å; A118-T143 HydrophobicContact CB-CG2 4.2Å; A118-R144 PolarHBondContact N-O 3.5Å; A118-L145 HydrophobicContact CB-CD1 4.15Å; A118-L145 CarbonylContact O-C 3.59Å; A118-L145 VanDerWaalsContact O-CA 3.32Å; A118-L145 WeakPolarHBondContact O-CA 3.32Å; A118-V146 PolarHBondContact O-N 2.88Å
119	V	98.9	Very high	98.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	108.4	177.4	-176.2	0	0	0	0	108.8	T94 V95 I96 L117 I121 V146 I161	T94-V119 PolarHBondContact O-N 3.32Å; V95-V119 CarbonylContact C-O 3.56Å; V95-V119 WeakPolarHBondContact CA-O 3.49Å; I96-V119 PolarHBondContact N-O 3.48Å; L117-V119 HydrophobicContact CD1-CG2 4.44Å; L117-V119 HydrophobicContact CD2-CG2 4.08Å; L117-V119 HydrophobicContact CG-CG2 4.03Å; V119-I121 HydrophobicContact CG1-CD1 3.89Å; V119-V146 HydrophobicContact CG1-CB 4.47Å; V119-V146 HydrophobicContact CG2-CB 4.34Å; V119-I161 HydrophobicContact CB-CG2 3.9Å; V119-I161 HydrophobicContact CG1-CG2 4.36Å; V119-I161 HydrophobicContact CG2-CB 4.37Å; V119-I161 HydrophobicContact CG2-CG2 3.71Å
120	C	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.4	179.5	-170.8	0	0	0	0	111.2	I96 I107 L145 V146 P148 C150	I96-C120 HydrophobicContact CB-CB 4.41Å; I96-C120 HydrophobicContact CD1-CB 4.3Å; I107-C120 HydrophobicContact CD1-CB 3.97Å; I107-C120 HydrophobicContact CG1-CB 4.12Å; C120-L145 HydrophobicContact CB-CD1 4.08Å; C120-V146 PolarHBondContact N-O 3.09Å; C120-P148 HydrophobicContact CB-CB 4.09Å; C120-P148 VanDerWaalsContact O-CA 3.31Å; C120-P148 WeakPolarHBondContact O-CA 3.4Å; C120-C150 PolarHBondContact O-SG 3.37Å
121	I	98.9	Very high	98.7	Very high	20 Å²	20	42.4 Å²	42.4	10%	0.103	23%	0.233	C	C	.	.			trans	-84.1	-32	-179.8	-55.6	-56.4	0	0	0	110.9	V95 I96 Y97 V119 E123 C150 I163	V95-I121 HydrophobicContact CG2-CD1 4.37Å; V95-I121 HydrophobicContact CG2-CG1 3.84Å; I96-I121 PolarHBondContact O-N 3.42Å; I96-I121 VanDerWaalsContact O-N 3.17Å; Y97-I121 HydrophobicContact CD1-CB 4.05Å; Y97-I121 HydrophobicContact CD1-CG1 4.13Å; Y97-I121 HydrophobicContact CD1-CG2 4.25Å; Y97-I121 HydrophobicContact CE1-CB 3.92Å; Y97-I121 HydrophobicContact CE1-CG1 3.6Å; Y97-I121 HydrophobicContact CE1-CG2 3.96Å; V119-I121 HydrophobicContact CG1-CD1 3.89Å; I121-E123 PolarHBondContact O-N 3.29Å; I121-C150 VanDerWaalsContact CD1-O 3.31Å; I121-C150 WeakPolarHBondContact CD1-O 3.24Å; I121-I163 HydrophobicContact CG1-CG2 4.43Å; I121-I163 HydrophobicContact CG2-CD1 4.14Å; I121-I163 HydrophobicContact CG2-CG1 4.44Å; I121-I163 HydrophobicContact CG2-CG2 3.7Å
122	T	98.8	Very high	98.7	Very high	14 Å²	14	47.3 Å²	47.3	9%	0.086	25%	0.254	C	S	.	.			trans	-50.5	123.1	-172.3	-51.4	0	0	0	0	112.9	V98 P100 A103 I125 P148 N149	V98-T122 WeakPolarHBondContact O-CB 3.31Å; V98-T122 WeakPolarHBondContact O-CG2 3.37Å; V98-T122 PolarHBondContact O-OG1 2.9Å; P100-T122 HydrophobicContact CB-CG2 4.24Å; P100-T122 HydrophobicContact CG-CG2 3.86Å; A103-T122 HydrophobicContact CB-CG2 3.83Å; T122-I125 HydrophobicContact CG2-CG1 4.22Å; T122-P148 WeakPolarHBondContact O-CB 3.45Å; T122-N149 PolarHBondContact O-N 3.42Å
123	E	98.4	Very high	98.7	Very high	108 Å²	108	42.5 Å²	42.5	51%	0.505	23%	0.229	S	C	.	.			trans	-89.6	147.6	168.6	177.3	169.9	-146.6	0	0	110.6	P100 I121 N149	P100-E123 VanDerWaalsContact CG-O 3.24Å; P100-E123 WeakPolarHBondContact CG-O 3.33Å; I121-E123 PolarHBondContact O-N 3.29Å; E123-N149 HydrophobicContact CB-CB 4.24Å; E123-N149 WeakPolarHBondContact CB-OD1 3.42Å; E123-N149 HydrophobicContact CG-CB 4.37Å; E123-N149 WeakPolarHBondContact CG-OD1 3.29Å; E123-N149 PolarHBondContact OE1-ND2 3.13Å
124	G	98.1	Very high	98.6	Very high	49 Å²	49	45.3 Å²	45.3	51%	0.505	24%	0.238	S	C	.	.			trans	91.8	15.1	170.8	0	0	0	0	0	115.1	P100	P100-G124 WeakPolarHBondContact CB-O 3.16Å
125	I	98.8	Very high	98.6	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.031	24%	0.235	C	C	.	.			trans	-62.3	133.5	169.8	-53.8	-175.2	0	0	0	108.5	A103 A104 I107 T122 Q127 D129 M130 P148	A103-I125 HydrophobicContact CB-CD1 3.45Å; A103-I125 VanDerWaalsContact CB-CD1 3.45Å; A103-I125 HydrophobicContact CB-CG1 3.85Å; A104-I125 HydrophobicContact CB-CG2 4.12Å; I107-I125 HydrophobicContact CD1-CD1 4.15Å; T122-I125 HydrophobicContact CG2-CG1 4.22Å; I125-Q127 PolarHBondContact O-N 3.26Å; I125-D129 HydrophobicContact CG2-CB 4.22Å; I125-M130 HydrophobicContact CB-CG 4.3Å; I125-M130 HydrophobicContact CD1-SD 4.27Å; I125-M130 HydrophobicContact CG2-CG 3.95Å; I125-M130 HydrophobicContact CG2-SD 4.26Å; I125-P148 HydrophobicContact CD1-CB 3.62Å; I125-P148 HydrophobicContact CD1-CG 4.07Å; I125-P148 HydrophobicContact CG1-CB 4.36Å
126	P	98.6	Very high	98.5	Very high	62 Å²	62	47.9 Å²	47.9	40%	0.403	25%	0.249	S	C	.	.			trans	-54.6	132.5	175.1	-26.7	35.5	0	0	0	111.7	Q128 D129 M130	P126-Q128 PolarHBondContact O-N 2.83Å; P126-Q128 VanDerWaalsContact O-N 3.17Å; P126-D129 HydrophobicContact CB-CB 4.42Å; P126-D129 WeakPolarHBondContact O-CB 3.43Å; P126-D129 PolarHBondContact O-N 3.17Å; P126-M130 PolarHBondContact O-N 3.36Å
127	Q	98.3	Very high	98.5	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	24%	0.238	S	C	.	.	H	α-helix	trans	-57.1	-37.1	-177.4	-64.4	-175.2	21	0	0	112.2	I125 D129 M130 V131 P208 F209	I125-Q127 PolarHBondContact O-N 3.26Å; Q127-D129 VanDerWaalsContact C-N 3.28Å; Q127-D129 PolarHBondContact O-N 2.9Å; Q127-M130 PolarHBondContact O-N 3.14Å; Q127-V131 WeakPolarHBondContact O-CG2 3.18Å; Q127-V131 PolarHBondContact O-N 2.99Å; Q127-P208 HydrophobicContact CG-CG 4.08Å; Q127-F209 HydrophobicContact CB-CD2 4.13Å; Q127-F209 HydrophobicContact CB-CE2 4.24Å
128	Q	98.4	Very high	98.4	Very high	142 Å²	142	48.1 Å²	48.1	66%	0.664	25%	0.248	S	C	*	.	H	α-helix	trans	-61.3	-36	176.6	-171.2	-178.6	12.3	0	0	112.3	P126 V131 K132	P126-Q128 PolarHBondContact O-N 2.83Å; P126-Q128 VanDerWaalsContact O-N 3.17Å; Q128-V131 WeakPolarHBondContact O-CB 3.36Å; Q128-V131 PolarHBondContact O-N 3.18Å; Q128-K132 WeakPolarHBondContact O-CG 3.16Å; Q128-K132 PolarHBondContact O-N 3.03Å
129	D	98.8	Very high	98.2	Very high	40 Å²	40	54.2 Å²	54.2	21%	0.214	27%	0.271	C	S	.	.	H	α-helix	trans	-71.2	-37.4	176.9	-68.8	-24.8	0	0	0	111	A104 I125 P126 Q127 V131 K132 V133	A104-D129 HydrophobicContact CB-CB 3.75Å; I125-D129 HydrophobicContact CG2-CB 4.22Å; P126-D129 HydrophobicContact CB-CB 4.42Å; P126-D129 WeakPolarHBondContact O-CB 3.43Å; P126-D129 PolarHBondContact O-N 3.17Å; Q127-D129 VanDerWaalsContact C-N 3.28Å; Q127-D129 PolarHBondContact O-N 2.9Å; D129-V131 VanDerWaalsContact C-N 3.29Å; D129-V131 PolarHBondContact O-N 3.46Å; D129-K132 WeakPolarHBondContact O-CB 3.42Å; D129-K132 PolarHBondContact O-N 2.87Å; D129-K132 VanDerWaalsContact O-N 3.11Å; D129-K132 IonicContact OD1-NZ 2.83Å; D129-K132 PolarHBondContact OD1-NZ 2.96Å; D129-V133 WeakPolarHBondContact O-CG2 3.46Å; D129-V133 PolarHBondContact O-N 2.96Å
130	M	98.7	Very high	98.1	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-29.3	172.1	-77	-51.4	-51.8	0	0	113.6	I107 I125 P126 Q127 V133 K134 L145 P148 F209	I107-M130 HydrophobicContact CD1-SD 3.96Å; I125-M130 HydrophobicContact CB-CG 4.3Å; I125-M130 HydrophobicContact CD1-SD 4.27Å; I125-M130 HydrophobicContact CG2-CG 3.95Å; I125-M130 HydrophobicContact CG2-SD 4.26Å; P126-M130 PolarHBondContact O-N 3.36Å; Q127-M130 PolarHBondContact O-N 3.14Å; M130-V133 HydrophobicContact CE-CB 4.02Å; M130-V133 HydrophobicContact CE-CG1 3.78Å; M130-V133 PolarHBondContact O-N 2.74Å; M130-V133 HydrophobicContact SD-CB 4.2Å; M130-V133 HydrophobicContact SD-CG1 4.32Å; M130-V133 HydrophobicContact SD-CG2 4.22Å; M130-K134 VanDerWaalsContact O-CB 3.25Å; M130-K134 WeakPolarHBondContact O-CB 3.42Å; M130-K134 PolarHBondContact O-N 2.92Å; M130-L145 HydrophobicContact CE-CD2 3.93Å; M130-P148 VanDerWaalsContact CE-CD 3.42Å; M130-P148 HydrophobicContact CE-CG 4.07Å; M130-P148 HydrophobicContact CG-CG 3.82Å; M130-P148 HydrophobicContact SD-CG 3.65Å; M130-F209 HydrophobicContact CB-CB 3.91Å; M130-F209 WeakPolarHBondContact CE-O 3.37Å
131	V	98.4	Very high	98	Very high	70 Å²	70	58.7 Å²	58.7	42%	0.424	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-42.1	169.8	172.3	0	0	0	0	111	Q127 Q128 D129 K134 H135 F209	Q127-V131 WeakPolarHBondContact O-CG2 3.18Å; Q127-V131 PolarHBondContact O-N 2.99Å; Q128-V131 WeakPolarHBondContact O-CB 3.36Å; Q128-V131 PolarHBondContact O-N 3.18Å; D129-V131 VanDerWaalsContact C-N 3.29Å; D129-V131 PolarHBondContact O-N 3.46Å; V131-K134 PolarHBondContact O-N 3.43Å; V131-H135 WeakPolarHBondContact O-CB 3.45Å; V131-H135 PolarHBondContact O-N 3.32Å; V131-F209 HydrophobicContact CG2-CD1 4.13Å; V131-F209 HydrophobicContact CG2-CD2 4.09Å; V131-F209 HydrophobicContact CG2-CE1 4.17Å; V131-F209 HydrophobicContact CG2-CE2 4.14Å; V131-F209 HydrophobicContact CG2-CG 4.1Å; V131-F209 HydrophobicContact CG2-CZ 4.17Å
132	K	98.4	Very high	98	Very high	112 Å²	112	59.3 Å²	59.3	49%	0.487	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-44.3	175.1	-61.6	169.2	-167	157.5	0	111.6	Q128 D129 K134 H135 K136	Q128-K132 WeakPolarHBondContact O-CG 3.16Å; Q128-K132 PolarHBondContact O-N 3.03Å; D129-K132 WeakPolarHBondContact O-CB 3.42Å; D129-K132 PolarHBondContact O-N 2.87Å; D129-K132 VanDerWaalsContact O-N 3.11Å; D129-K132 IonicContact OD1-NZ 2.83Å; D129-K132 PolarHBondContact OD1-NZ 2.96Å; K132-K134 PolarHBondContact O-N 3.29Å; K132-H135 WeakPolarHBondContact O-CB 3.4Å; K132-H135 PolarHBondContact O-N 2.96Å; K132-K136 PolarHBondContact O-N 3.06Å; K132-K136 VanDerWaalsContact O-N 3.14Å
133	V	98.7	Very high	98	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.2	-48.9	174.6	168.6	0	0	0	0	110.4	A104 I107 I108 I111 D129 M130 H135 K136 L137 L145	A104-V133 HydrophobicContact CB-CG2 4.1Å; I107-V133 HydrophobicContact CB-CG1 4.41Å; I107-V133 HydrophobicContact CB-CG2 4.5Å; I107-V133 HydrophobicContact CG2-CG1 3.55Å; I107-V133 HydrophobicContact CG2-CG2 4.44Å; I108-V133 HydrophobicContact CD1-CG2 4.32Å; I108-V133 HydrophobicContact CG1-CG2 4.15Å; I111-V133 HydrophobicContact CD1-CG1 4.49Å; D129-V133 WeakPolarHBondContact O-CG2 3.46Å; D129-V133 PolarHBondContact O-N 2.96Å; M130-V133 HydrophobicContact CE-CB 4.02Å; M130-V133 HydrophobicContact CE-CG1 3.78Å; M130-V133 PolarHBondContact O-N 2.74Å; M130-V133 HydrophobicContact SD-CB 4.2Å; M130-V133 HydrophobicContact SD-CG1 4.32Å; M130-V133 HydrophobicContact SD-CG2 4.22Å; V133-H135 VanDerWaalsContact C-N 3.32Å; V133-H135 PolarHBondContact O-N 3.48Å; V133-K136 PolarHBondContact O-N 3.4Å; V133-K136 VanDerWaalsContact O-N 3.12Å; V133-L137 HydrophobicContact CG1-CD1 3.8Å; V133-L137 HydrophobicContact CG1-CG 4.26Å; V133-L137 WeakPolarHBondContact O-CG 3.42Å; V133-L137 PolarHBondContact O-N 2.86Å; V133-L145 HydrophobicContact CG1-CD2 4.02Å
134	K	98.1	Very high	98	Very high	72 Å²	72	53.5 Å²	53.5	31%	0.313	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-39.1	179.1	-167.5	164.1	-173.8	169.4	0	112	M130 V131 K132 K136 L137 L138	M130-K134 VanDerWaalsContact O-CB 3.25Å; M130-K134 WeakPolarHBondContact O-CB 3.42Å; M130-K134 PolarHBondContact O-N 2.92Å; V131-K134 PolarHBondContact O-N 3.43Å; K132-K134 PolarHBondContact O-N 3.29Å; K134-K136 VanDerWaalsContact C-N 3.3Å; K134-K136 PolarHBondContact O-N 3.25Å; K134-L137 PolarHBondContact O-N 3.24Å; K134-L138 HydrophobicContact CG-CD1 3.91Å; K134-L138 HydrophobicContact CG-CG 4.23Å; K134-L138 WeakPolarHBondContact O-CB 3.33Å; K134-L138 VanDerWaalsContact O-CG 3.24Å; K134-L138 WeakPolarHBondContact O-CG 3.28Å; K134-L138 PolarHBondContact O-N 2.81Å
135	H	97.6	Very high	98	Very high	106 Å²	106	51.1 Å²	51.1	49%	0.491	25%	0.254	S	S	.	.	H	α-helix	trans	-57.6	-42.1	174	-178.9	-81.2	0	0	0	112.1	V131 K132 V133 R139	V131-H135 WeakPolarHBondContact O-CB 3.45Å; V131-H135 PolarHBondContact O-N 3.32Å; K132-H135 WeakPolarHBondContact O-CB 3.4Å; K132-H135 PolarHBondContact O-N 2.96Å; V133-H135 VanDerWaalsContact C-N 3.32Å; V133-H135 PolarHBondContact O-N 3.48Å; H135-R139 PolarHBondContact CD2-NH1 3.05Å; H135-R139 PolarHBondContact CE1-NH1 3.36Å; H135-R139 VanDerWaalsContact CE1-NH1 3.27Å; H135-R139 PolarHBondContact ND1-NH1 2.9Å; H135-R139 PolarHBondContact NE2-NH1 3.3Å; H135-R139 VanDerWaalsContact NE2-NH1 3.13Å; H135-R139 PolarHBondContact NE2-NH2 2.86Å; H135-R139 PolarHBondContact O-NH1 3.37Å
136	K	97.8	Very high	98	Very high	67 Å²	67	50.9 Å²	50.9	29%	0.291	25%	0.253	S	S	.	.	H	α-helix	trans	-70.1	-48	175.5	-167.4	-177	177.9	104	0	111.7	I108 I111 D112 K132 V133 K134 L138 R139	I108-K136 HydrophobicContact CG1-CD 4.27Å; I108-K136 HydrophobicContact CG2-CD 3.99Å; I111-K136 HydrophobicContact CB-CD 4.42Å; I111-K136 HydrophobicContact CD1-CD 4.33Å; I111-K136 HydrophobicContact CG2-CD 4.03Å; I111-K136 HydrophobicContact CG2-CG 4.21Å; D112-K136 WeakPolarHBondContact OD1-CE 3.31Å; D112-K136 IonicContact OD1-NZ 2.77Å; D112-K136 PolarHBondContact OD1-NZ 3.28Å; D112-K136 IonicContact OD2-NZ 3.04Å; D112-K136 PolarHBondContact OD2-NZ 2.65Å; K132-K136 PolarHBondContact O-N 3.06Å; K132-K136 VanDerWaalsContact O-N 3.14Å; V133-K136 PolarHBondContact O-N 3.4Å; V133-K136 VanDerWaalsContact O-N 3.12Å; K134-K136 VanDerWaalsContact C-N 3.3Å; K134-K136 PolarHBondContact O-N 3.25Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.24Å; K136-R139 PolarHBondContact O-N 2.91Å; K136-R139 VanDerWaalsContact O-N 3.14Å
137	L	97.3	Very high	98	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-54	-44.3	-179.2	-79.4	169.9	0	0	0	112.8	Y21 I111 V133 K134 R139 Q140 L145	Y21-L137 HydrophobicContact CD2-CB 4.46Å; Y21-L137 WeakPolarHBondContact CD2-O 3.48Å; Y21-L137 HydrophobicContact CE2-CB 4.12Å; Y21-L137 HydrophobicContact CE2-CD2 3.79Å; Y21-L137 HydrophobicContact CE2-CG 4.47Å; I111-L137 HydrophobicContact CD1-CD2 3.5Å; I111-L137 VanDerWaalsContact CD1-CD2 3.5Å; I111-L137 HydrophobicContact CD1-CG 3.7Å; I111-L137 HydrophobicContact CG1-CD2 3.83Å; V133-L137 HydrophobicContact CG1-CD1 3.8Å; V133-L137 HydrophobicContact CG1-CG 4.26Å; V133-L137 WeakPolarHBondContact O-CG 3.42Å; V133-L137 PolarHBondContact O-N 2.86Å; K134-L137 PolarHBondContact O-N 3.24Å; L137-R139 PolarHBondContact O-N 2.96Å; L137-R139 VanDerWaalsContact O-N 3.15Å; L137-Q140 WeakPolarHBondContact O-CG 3.42Å; L137-Q140 PolarHBondContact O-N 3.49Å; L137-Q140 PolarHBondContact O-NE2 2.92Å; L137-Q140 VanDerWaalsContact O-NE2 3.08Å; L137-Q140 VanDerWaalsContact O-O 3.14Å; L137-L145 HydrophobicContact CD1-CB 3.77Å; L137-L145 HydrophobicContact CD1-CD2 3.6Å; L137-L145 HydrophobicContact CD1-CG 4.32Å; L137-L145 HydrophobicContact CD2-CB 4.02Å
138	L	96.7	Very high	98.1	Very high	43 Å²	43	43.4 Å²	43.4	23%	0.225	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-7	-174.8	-68.1	174.7	0	0	0	114.5	Y21 K134 K136	Y21-L138 HydrophobicContact CD1-CD2 3.9Å; Y21-L138 HydrophobicContact CG-CD2 4.4Å; K134-L138 HydrophobicContact CG-CD1 3.91Å; K134-L138 HydrophobicContact CG-CG 4.23Å; K134-L138 WeakPolarHBondContact O-CB 3.33Å; K134-L138 VanDerWaalsContact O-CG 3.24Å; K134-L138 WeakPolarHBondContact O-CG 3.28Å; K134-L138 PolarHBondContact O-N 2.81Å; K136-L138 VanDerWaalsContact C-N 3.3Å; K136-L138 PolarHBondContact O-N 3.24Å
139	R	96.4	Very high	98.1	Very high	128 Å²	128	37.4 Å²	37.4	48%	0.483	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	10.2	-179.4	-68.9	176.7	174.1	72.4	-2.5	113.5	V17 H135 K136 L137	V17-R139 HydrophobicContact CG1-CG 4.14Å; H135-R139 PolarHBondContact CD2-NH1 3.05Å; H135-R139 PolarHBondContact CE1-NH1 3.36Å; H135-R139 VanDerWaalsContact CE1-NH1 3.27Å; H135-R139 PolarHBondContact ND1-NH1 2.9Å; H135-R139 PolarHBondContact NE2-NH1 3.3Å; H135-R139 VanDerWaalsContact NE2-NH1 3.13Å; H135-R139 PolarHBondContact NE2-NH2 2.86Å; H135-R139 PolarHBondContact O-NH1 3.37Å; K136-R139 PolarHBondContact O-N 2.91Å; K136-R139 VanDerWaalsContact O-N 3.14Å; L137-R139 PolarHBondContact O-N 2.96Å; L137-R139 VanDerWaalsContact O-N 3.15Å
140	Q	96.1	Very high	98.1	Very high	33 Å²	33	35.9 Å²	35.9	15%	0.154	18%	0.177	C	C	.	.			trans	-141	168	177.5	64.4	74.8	39.2	0	0	110	C20 Y21 I111 L137 T143	C20-Q140 PolarHBondContact SG-O 2.8Å; Y21-Q140 VanDerWaalsContact CA-O 3.26Å; Y21-Q140 WeakPolarHBondContact CA-O 3.33Å; Y21-Q140 PolarHBondContact N-O 2.9Å; I111-Q140 HydrophobicContact CG2-CG 3.95Å; L137-Q140 WeakPolarHBondContact O-CG 3.42Å; L137-Q140 PolarHBondContact O-N 3.49Å; L137-Q140 PolarHBondContact O-NE2 2.92Å; L137-Q140 VanDerWaalsContact O-NE2 3.08Å; L137-Q140 VanDerWaalsContact O-O 3.14Å; Q140-T143 PolarHBondContact NE2-O 3.24Å
141	S	96.7	Very high	98.1	Very high	61 Å²	61	36.2 Å²	36.2	43%	0.427	18%	0.18	S	C	.	.	S	Bend	trans	-136.4	4.2	-178.3	61.2	0	0	0	0	114.6	C20 S24	C20-S141 WeakPolarHBondContact O-CB 3.32Å; S24-S141 WeakPolarHBondContact CB-O 3.33Å
142	A	98.1	Very high	98.1	Very high	33 Å²	33	32.9 Å²	32.9	27%	0.273	16%	0.16	S	C	.	.	S	Bend	trans	-77.6	-48.9	179.8	0	0	0	0	0	110.8	N27 E114 P116	N27-A142 PolarHBondContact ND2-O 3.01Å; E114-A142 HydrophobicContact CB-CB 3.9Å; E114-A142 HydrophobicContact CG-CB 4.08Å; P116-A142 WeakPolarHBondContact CA-O 3.37Å
143	T	98.9	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.			trans	-97.5	140.7	-175.8	-58.4	0	0	0	0	111	Y21 S24 I111 I115 P116 A118 Q140	Y21-T143 WeakPolarHBondContact CE2-O 3.35Å; S24-T143 PolarHBondContact OG-O 3.24Å; I111-T143 HydrophobicContact CG1-CG2 3.97Å; I115-T143 VanDerWaalsContact O-CA 3.27Å; I115-T143 WeakPolarHBondContact O-CA 3.39Å; I115-T143 WeakPolarHBondContact O-CB 3.25Å; I115-T143 VanDerWaalsContact O-CG2 3.23Å; I115-T143 WeakPolarHBondContact O-CG2 3.39Å; I115-T143 PolarHBondContact O-OG1 2.87Å; P116-T143 CarbonylContact O-C 3.54Å; P116-T143 WeakPolarHBondContact O-CA 3.41Å; A118-T143 HydrophobicContact CB-CG2 4.2Å; Q140-T143 PolarHBondContact NE2-O 3.24Å
144	R	98.9	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132	166.1	172.3	50.6	51	167.2	4	108.3	Y21 S24 N27 L28 P116 L117 A118 G211 T212 D216	Y21-R144 PolarHBondContact O-NH2 3.42Å; Y21-R144 PolarHBondContact OH-NE 3.1Å; Y21-R144 PolarHBondContact OH-NH1 3.46Å; S24-R144 WeakPolarHBondContact O-CB 3.48Å; S24-R144 PolarHBondContact OG-NE 3.46Å; S24-R144 PolarHBondContact OG-NH2 3.39Å; S24-R144 VanDerWaalsContact OG-NH2 3.14Å; N27-R144 HydrophobicContact CB-CB 3.95Å; L28-R144 HydrophobicContact CD2-CG 3.66Å; L28-R144 HydrophobicContact CG-CG 3.95Å; P116-R144 PolarHBondContact O-N 3.44Å; L117-R144 CarbonylContact C-O 3.59Å; L117-R144 HydrophobicContact CD1-CB 4.18Å; L117-R144 HydrophobicContact CD1-CG 3.95Å; A118-R144 PolarHBondContact N-O 3.5Å; R144-G211 PolarHBondContact NH1-O 3.48Å; R144-T212 WeakPolarHBondContact CD-OG1 3.13Å; R144-D216 IonicContact CZ-OD2 3.98Å; R144-D216 IonicContact NH1-OD1 2.87Å; R144-D216 IonicContact NH1-OD2 3.3Å; R144-D216 PolarHBondContact NH1-OD2 2.85Å
145	L	98.9	Very high	98.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.1	174.7	172.9	70.4	0	0	0	111.2	Y21 I107 A118 C120 M130 V133 L137 G211 T212	Y21-L145 PolarHBondContact OH-N 2.87Å; I107-L145 HydrophobicContact CD1-CD1 4.4Å; I107-L145 HydrophobicContact CD1-CD2 4.36Å; I107-L145 HydrophobicContact CG1-CD1 4.28Å; I107-L145 HydrophobicContact CG2-CD1 4.1Å; I107-L145 HydrophobicContact CG2-CD2 4.05Å; A118-L145 HydrophobicContact CB-CD1 4.15Å; A118-L145 CarbonylContact O-C 3.59Å; A118-L145 VanDerWaalsContact O-CA 3.32Å; A118-L145 WeakPolarHBondContact O-CA 3.32Å; C120-L145 HydrophobicContact CB-CD1 4.08Å; M130-L145 HydrophobicContact CE-CD2 3.93Å; V133-L145 HydrophobicContact CG1-CD2 4.02Å; L137-L145 HydrophobicContact CD1-CB 3.77Å; L137-L145 HydrophobicContact CD1-CD2 3.6Å; L137-L145 HydrophobicContact CD1-CG 4.32Å; L137-L145 HydrophobicContact CD2-CB 4.02Å; L145-G211 CarbonylContact O-C 3.58Å; L145-G211 VanDerWaalsContact O-CA 3.24Å; L145-G211 WeakPolarHBondContact O-CA 3.49Å; L145-T212 WeakPolarHBondContact O-CB 3.2Å; L145-T212 PolarHBondContact O-N 2.84Å; L145-T212 PolarHBondContact O-OG1 3.39Å
146	V	98.9	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.5	163.5	178.9	0	0	0	0	109	L28 L117 A118 V119 C120 V153 V202 G203	L28-V146 HydrophobicContact CD2-CG2 3.38Å; L117-V146 HydrophobicContact CD1-CG2 4.04Å; A118-V146 PolarHBondContact O-N 2.88Å; V119-V146 HydrophobicContact CG1-CB 4.47Å; V119-V146 HydrophobicContact CG2-CB 4.34Å; C120-V146 PolarHBondContact N-O 3.09Å; V146-V153 HydrophobicContact CB-CG2 4.25Å; V146-V153 HydrophobicContact CG1-CG2 3.92Å; V146-V153 HydrophobicContact CG2-CG2 3.89Å; V146-V202 HydrophobicContact CG1-CG1 4.25Å; V146-V202 HydrophobicContact CG2-CG1 4.46Å; V146-G203 WeakPolarHBondContact CG1-O 2.91Å
147	G	98.7	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.12	C	C	.	.			trans	85	-163.6	-171.2	0	0	0	0	0	113.7	C150 N210 G211	G147-C150 VanDerWaalsContact CA-SG 3.58Å; G147-N210 WeakPolarHBondContact O-CA 3.19Å; G147-N210 VanDerWaalsContact O-CB 3.23Å; G147-N210 WeakPolarHBondContact O-CB 3.44Å; G147-G211 PolarHBondContact O-N 2.97Å
148	P	98.8	Very high	98.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.128	C	C	.	.	S	Bend	cis	-76.3	-169.4	13.1	36.7	-42	0	0	0	113.8	C120 T122 I125 M130 C150 D207	C120-P148 HydrophobicContact CB-CB 4.09Å; C120-P148 VanDerWaalsContact O-CA 3.31Å; C120-P148 WeakPolarHBondContact O-CA 3.4Å; T122-P148 WeakPolarHBondContact O-CB 3.45Å; I125-P148 HydrophobicContact CD1-CB 3.62Å; I125-P148 HydrophobicContact CD1-CG 4.07Å; I125-P148 HydrophobicContact CG1-CB 4.36Å; M130-P148 VanDerWaalsContact CE-CD 3.42Å; M130-P148 HydrophobicContact CE-CG 4.07Å; M130-P148 HydrophobicContact CG-CG 3.82Å; M130-P148 HydrophobicContact SD-CG 3.65Å; P148-C150 PolarHBondContact O-N 3.09Å; P148-D207 HydrophobicContact CG-CB 4.27Å
149	N	98.8	Very high	98.4	Very high	17 Å²	17	19.1 Å²	19.1	9%	0.091	12%	0.118	C	C	.	.	S	Bend	trans	50.7	53.2	178.7	-169.3	8.8	0	0	0	112.3	T122 E123 G205 G206 D207	T122-N149 PolarHBondContact O-N 3.42Å; E123-N149 HydrophobicContact CB-CB 4.24Å; E123-N149 WeakPolarHBondContact CB-OD1 3.42Å; E123-N149 HydrophobicContact CG-CB 4.37Å; E123-N149 WeakPolarHBondContact CG-OD1 3.29Å; E123-N149 PolarHBondContact OE1-ND2 3.13Å; N149-G205 CarbonylContact O-C 3.55Å; N149-G205 WeakPolarHBondContact O-CA 3.45Å; N149-G206 PolarHBondContact O-N 3.22Å; N149-D207 HydrophobicContact CB-CB 4.22Å; N149-D207 VanDerWaalsContact CB-CG 3.47Å; N149-D207 VanDerWaalsContact CB-OD1 3.27Å; N149-D207 WeakPolarHBondContact CB-OD1 3.32Å; N149-D207 PolarHBondContact ND2-OD1 3.08Å
150	C	98.8	Very high	98.5	Very high	7 Å²	7	13.2 Å²	13.2	5%	0.047	10%	0.095	C	C	.	.	S	Bend	trans	-137.2	155.6	-171.3	81.7	0	0	0	0	112.3	C120 I121 G147 P148 G152 G203	C120-C150 PolarHBondContact O-SG 3.37Å; I121-C150 VanDerWaalsContact CD1-O 3.31Å; I121-C150 WeakPolarHBondContact CD1-O 3.24Å; G147-C150 VanDerWaalsContact CA-SG 3.58Å; P148-C150 PolarHBondContact O-N 3.09Å; C150-G152 VanDerWaalsContact C-N 3.26Å; C150-G152 PolarHBondContact O-N 3.24Å; C150-G203 VanDerWaalsContact CB-O 3.26Å; C150-G203 WeakPolarHBondContact CB-O 3.41Å
151	P	98.8	Very high	98.7	Very high	9 Å²	9	11.8 Å²	11.8	6%	0.058	9%	0.089	C	C	.	.			trans	-76.4	-16	175.4	34.2	-38.9	0	0	0	112.9	G162 I163 M164	P151-G162 CarbonylContact O-C 3.53Å; P151-G162 WeakPolarHBondContact O-CA 3.43Å; P151-I163 HydrophobicContact CB-CG1 4.19Å; P151-I163 PolarHBondContact O-N 2.88Å; P151-M164 WeakPolarHBondContact O-CE 3.25Å
152	G	98.9	Very high	98.8	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.01	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.8	-153.5	-178.6	0	0	0	0	0	114.5	C150 I161 M164 G203	C150-G152 VanDerWaalsContact C-N 3.26Å; C150-G152 PolarHBondContact O-N 3.24Å; G152-I161 CarbonylContact C-O 3.53Å; G152-I161 VanDerWaalsContact CA-O 3.31Å; G152-I161 WeakPolarHBondContact CA-O 3.17Å; G152-M164 VanDerWaalsContact C-CE 3.47Å; G152-G203 PolarHBondContact O-N 3.14Å
153	V	98.9	Very high	98.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.4	-176.5	-174.5	0	0	0	0	110.4	I30 V146 I161 L200 C201 V202	I30-V153 HydrophobicContact CD1-CB 4.09Å; I30-V153 HydrophobicContact CD1-CG1 3.78Å; I30-V153 HydrophobicContact CG1-CG1 4.05Å; V146-V153 HydrophobicContact CB-CG2 4.25Å; V146-V153 HydrophobicContact CG1-CG2 3.92Å; V146-V153 HydrophobicContact CG2-CG2 3.89Å; V153-I161 PolarHBondContact N-O 3.3Å; V153-I161 PolarHBondContact O-N 3.06Å; V153-L200 HydrophobicContact CG1-CD1 3.81Å; V153-C201 WeakPolarHBondContact CA-O 3.19Å; V153-V202 HydrophobicContact CG1-CG2 4.12Å; V153-V202 HydrophobicContact CG2-CG1 4.09Å; V153-V202 HydrophobicContact CG2-CG2 4.49Å
154	I	98.9	Very high	98.8	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.4	174.9	-173.9	171.1	0	0	0	111	Y56 C159 K160 M164 H169 C201	Y56-I154 HydrophobicContact CE1-CD1 4.31Å; I154-C159 WeakPolarHBondContact CA-O 3.43Å; I154-K160 HydrophobicContact CD1-CB 4.12Å; I154-K160 HydrophobicContact CD1-CD 4.26Å; I154-K160 HydrophobicContact CD1-CG 3.94Å; I154-K160 HydrophobicContact CG1-CB 4.09Å; I154-K160 HydrophobicContact CG1-CG 4.23Å; I154-M164 HydrophobicContact CB-CE 4.2Å; I154-M164 HydrophobicContact CB-CG 4.14Å; I154-M164 HydrophobicContact CB-SD 4.14Å; I154-M164 HydrophobicContact CD1-CG 3.99Å; I154-M164 HydrophobicContact CG2-CE 4.33Å; I154-M164 HydrophobicContact CG2-CG 4.02Å; I154-H169 HydrophobicContact CD1-CB 4.24Å; I154-C201 HydrophobicContact CG2-CB 3.71Å; I154-C201 PolarHBondContact N-O 3.29Å; I154-C201 PolarHBondContact O-N 3.17Å
155	N	98.9	Very high	98.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	104.3	161.7	178.4	-8	0	0	0	106.8	I30 G157 E158 C159 K171 S199 L200	I30-N155 HydrophobicContact CG1-CB 3.92Å; I30-N155 VanDerWaalsContact O-CB 3.32Å; I30-N155 WeakPolarHBondContact O-CB 3.37Å; I30-N155 PolarHBondContact O-ND2 2.68Å; N155-G157 PolarHBondContact O-N 3.49Å; N155-E158 HydrophobicContact CB-CB 4.24Å; N155-E158 PolarHBondContact ND2-OE1 3.48Å; N155-E158 PolarHBondContact ND2-OE2 2.91Å; N155-E158 PolarHBondContact O-N 2.8Å; N155-E158 PolarHBondContact OD1-OE1 3.03Å; N155-C159 PolarHBondContact N-O 3.06Å; N155-C159 PolarHBondContact O-N 3.42Å; N155-K171 PolarHBondContact OD1-NZ 3.12Å; N155-S199 PolarHBondContact OD1-O 3.43Å; N155-L200 HydrophobicContact CB-CD1 3.99Å
156	P	98.8	Very high	98.8	Very high	1 Å²	1	13 Å²	13	1%	0.006	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	130.3	-168.3	-26.7	35.2	0	0	0	113.5	Y56 E158 H169 K171 Q198	Y56-P156 WeakPolarHBondContact OH-CA 3.15Å; P156-E158 PolarHBondContact O-N 2.62Å; P156-H169 HydrophobicContact CB-CB 3.97Å; P156-H169 HydrophobicContact CG-CB 3.97Å; P156-K171 HydrophobicContact CB-CB 4.47Å; P156-K171 VanDerWaalsContact O-CD 3.23Å; P156-K171 WeakPolarHBondContact O-CD 3.35Å; P156-Q198 HydrophobicContact CG-CB 4.1Å
157	G	98.3	Very high	98.7	Very high	70 Å²	70	20.7 Å²	20.7	72%	0.722	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	-0.1	-178.5	0	0	0	0	0	114.7	Y56 N155	Y56-G157 PolarHBondContact OH-N 3.27Å; N155-G157 PolarHBondContact O-N 3.49Å
158	E	98.6	Very high	98.7	Very high	40 Å²	40	22.3 Å²	22.3	19%	0.187	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.7	-55.4	-178.4	-69.8	-169.5	-126.1	0	0	112.6	N31 K32 N155 P156 K171	N31-E158 WeakPolarHBondContact CA-OE2 3.37Å; N31-E158 WeakPolarHBondContact CB-OE2 3.02Å; K32-E158 WeakPolarHBondContact CA-O 3.27Å; K32-E158 HydrophobicContact CB-CB 4.22Å; K32-E158 HydrophobicContact CB-CG 4.37Å; K32-E158 PolarHBondContact N-OE2 3.34Å; N155-E158 HydrophobicContact CB-CB 4.24Å; N155-E158 PolarHBondContact ND2-OE1 3.48Å; N155-E158 PolarHBondContact ND2-OE2 2.91Å; N155-E158 PolarHBondContact O-N 2.8Å; N155-E158 PolarHBondContact OD1-OE1 3.03Å; P156-E158 PolarHBondContact O-N 2.62Å; E158-K171 IonicContact OE1-NZ 2.95Å; E158-K171 PolarHBondContact OE1-NZ 2.91Å
159	C	98.8	Very high	98.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	135.1	-176.9	-172	0	0	0	0	111.1	I30 N31 I154 N155	I30-C159 HydrophobicContact CB-CB 4.25Å; I30-C159 HydrophobicContact CD1-CB 3.95Å; I30-C159 WeakPolarHBondContact CD1-O 3.38Å; I30-C159 HydrophobicContact CG1-CB 4.09Å; N31-C159 WeakPolarHBondContact O-CB 3.46Å; I154-C159 WeakPolarHBondContact CA-O 3.43Å; N155-C159 PolarHBondContact N-O 3.06Å; N155-C159 PolarHBondContact O-N 3.42Å
160	K	98.9	Very high	98.7	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.9	176.3	-178.9	-172.7	119.4	68.9	0	109.7	Y56 S58 I154 G162 M164	Y56-K160 HydrophobicContact CD1-CB 3.37Å; Y56-K160 HydrophobicContact CD1-CD 4.2Å; Y56-K160 HydrophobicContact CD1-CG 4.39Å; Y56-K160 HydrophobicContact CD2-CD 4.38Å; Y56-K160 HydrophobicContact CE1-CB 3.62Å; Y56-K160 HydrophobicContact CG-CB 4.08Å; Y56-K160 HydrophobicContact CG-CD 4.06Å; S58-K160 PolarHBondContact OG-N 2.65Å; S58-K160 PolarHBondContact OG-O 2.81Å; I154-K160 HydrophobicContact CD1-CB 4.12Å; I154-K160 HydrophobicContact CD1-CD 4.26Å; I154-K160 HydrophobicContact CD1-CG 3.94Å; I154-K160 HydrophobicContact CG1-CB 4.09Å; I154-K160 HydrophobicContact CG1-CG 4.23Å; K160-G162 PolarHBondContact NZ-O 2.65Å; K160-M164 HydrophobicContact CD-CG 4.48Å; K160-M164 HydrophobicContact CD-SD 4.01Å; K160-M164 WeakPolarHBondContact CE-O 3.46Å; K160-M164 HydrophobicContact CG-CG 4.32Å; K160-M164 HydrophobicContact CG-SD 3.42Å; K160-M164 WeakPolarHBondContact CG-SD 3.38Å; K160-M164 PolarHBondContact NZ-O 3.08Å; K160-M164 PolarHBondContact NZ-SD 3.17Å
161	I	98.9	Very high	98.7	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	98.2	176.4	-51.8	-175.6	0	0	0	108.5	I30 T34 V36 A93 V95 L117 V119 G152 V153	I30-I161 HydrophobicContact CD1-CD1 4.18Å; I30-I161 HydrophobicContact CD1-CG1 3.97Å; I30-I161 HydrophobicContact CG2-CD1 3.89Å; T34-I161 HydrophobicContact CG2-CD1 4.42Å; V36-I161 HydrophobicContact CG1-CD1 4.31Å; V36-I161 HydrophobicContact CG1-CG1 4.45Å; V36-I161 HydrophobicContact CG1-CG2 4.37Å; V36-I161 HydrophobicContact CG2-CD1 3.69Å; V36-I161 HydrophobicContact CG2-CG1 3.95Å; A93-I161 HydrophobicContact CB-CD1 3.7Å; V95-I161 HydrophobicContact CB-CG2 3.71Å; V95-I161 HydrophobicContact CG2-CG2 4.09Å; L117-I161 HydrophobicContact CD2-CD1 4.24Å; V119-I161 HydrophobicContact CB-CG2 3.9Å; V119-I161 HydrophobicContact CG1-CG2 4.36Å; V119-I161 HydrophobicContact CG2-CB 4.37Å; V119-I161 HydrophobicContact CG2-CG2 3.71Å; G152-I161 CarbonylContact C-O 3.53Å; G152-I161 VanDerWaalsContact CA-O 3.31Å; G152-I161 WeakPolarHBondContact CA-O 3.17Å; V153-I161 PolarHBondContact N-O 3.3Å; V153-I161 PolarHBondContact O-N 3.06Å
162	G	98.8	Very high	98.7	Very high	5 Å²	5	32.2 Å²	32.2	5%	0.052	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.8	-152.3	178.2	0	0	0	0	0	113.9	Y97 P151 K160	Y97-G162 WeakPolarHBondContact OH-CA 3.36Å; Y97-G162 PolarHBondContact OH-O 3.47Å; P151-G162 CarbonylContact O-C 3.53Å; P151-G162 WeakPolarHBondContact O-CA 3.43Å; K160-G162 PolarHBondContact NZ-O 2.65Å
163	I	98.9	Very high	98.7	Very high	64 Å²	64	35 Å²	35	33%	0.328	19%	0.19	S	C	.	.	S	Bend	trans	-111.1	-2	-165.7	64.5	169.9	0	0	0	114.7	H49 Y97 I121 P151	H49-I163 VanDerWaalsContact CE1-CG2 3.49Å; H49-I163 WeakPolarHBondContact CE1-CG2 3.5Å; H49-I163 VanDerWaalsContact NE2-CG2 3.33Å; H49-I163 WeakPolarHBondContact NE2-CG2 3.38Å; Y97-I163 HydrophobicContact CE1-CG2 3.63Å; I121-I163 HydrophobicContact CG1-CG2 4.43Å; I121-I163 HydrophobicContact CG2-CD1 4.14Å; I121-I163 HydrophobicContact CG2-CG1 4.44Å; I121-I163 HydrophobicContact CG2-CG2 3.7Å; P151-I163 HydrophobicContact CB-CG1 4.19Å; P151-I163 PolarHBondContact O-N 2.88Å
164	M	98.8	Very high	98.7	Very high	6 Å²	6	35 Å²	35	3%	0.03	19%	0.19	C	C	.	.	S	Bend	trans	-62.2	146	178.8	69.5	-65.1	-74.1	0	0	112.7	P151 G152 I154 K160 G166 Y185	P151-M164 WeakPolarHBondContact O-CE 3.25Å; G152-M164 VanDerWaalsContact C-CE 3.47Å; I154-M164 HydrophobicContact CB-CE 4.2Å; I154-M164 HydrophobicContact CB-CG 4.14Å; I154-M164 HydrophobicContact CB-SD 4.14Å; I154-M164 HydrophobicContact CD1-CG 3.99Å; I154-M164 HydrophobicContact CG2-CE 4.33Å; I154-M164 HydrophobicContact CG2-CG 4.02Å; K160-M164 HydrophobicContact CD-CG 4.48Å; K160-M164 HydrophobicContact CD-SD 4.01Å; K160-M164 WeakPolarHBondContact CE-O 3.46Å; K160-M164 HydrophobicContact CG-CG 4.32Å; K160-M164 HydrophobicContact CG-SD 3.42Å; K160-M164 WeakPolarHBondContact CG-SD 3.38Å; K160-M164 PolarHBondContact NZ-O 3.08Å; K160-M164 PolarHBondContact NZ-SD 3.17Å; M164-G166 PolarHBondContact O-N 2.78Å; M164-Y185 HydrophobicContact CB-CD1 4.45Å; M164-Y185 HydrophobicContact CB-CE1 3.57Å
165	P	98.3	Very high	98.7	Very high	35 Å²	35	35 Å²	35	23%	0.227	19%	0.19	C	C	.	.			trans	-69.8	114.2	173.6	25.8	-30.6	0	0	0	110.3	H167 I168 H169 Y185	P165-H167 VanDerWaalsContact C-N 3.32Å; P165-H167 PolarHBondContact O-N 2.82Å; P165-I168 HydrophobicContact CB-CG1 4.49Å; P165-I168 HydrophobicContact CG-CD1 3.76Å; P165-I168 HydrophobicContact CG-CG1 3.98Å; P165-I168 WeakPolarHBondContact O-CG1 3.44Å; P165-H169 PolarHBondContact O-CE1 2.98Å; P165-H169 VanDerWaalsContact O-CE1 3.24Å; P165-H169 PolarHBondContact O-ND1 2.98Å; P165-Y185 HydrophobicContact CG-CG 4.5Å
166	G	98.3	Very high	98.7	Very high	8 Å²	8	35 Å²	35	8%	0.082	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-64.4	-34.1	-175.9	0	0	0	0	0	114	Y56 M164 I168 H169	Y56-G166 VanDerWaalsContact CE2-CA 3.47Å; M164-G166 PolarHBondContact O-N 2.78Å; G166-I168 VanDerWaalsContact C-N 3.32Å; G166-I168 PolarHBondContact O-N 2.89Å; G166-H169 WeakPolarHBondContact O-CB 3.33Å; G166-H169 PolarHBondContact O-N 2.77Å; G166-H169 VanDerWaalsContact O-N 3.16Å
167	H	98.1	Very high	98.7	Very high	162 Å²	162	35 Å²	35	75%	0.75	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-69.4	-20.6	-171.5	63.8	-94.6	0	0	0	115.1	P165 H169	P165-H167 VanDerWaalsContact C-N 3.32Å; P165-H167 PolarHBondContact O-N 2.82Å; H167-H169 VanDerWaalsContact C-N 3.29Å
168	I	98.6	Very high	98.7	Very high	35 Å²	35	31.6 Å²	31.6	18%	0.179	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-80.1	-15.5	176.1	65	166.3	0	0	0	112.6	P165 G166 Y185 V188 T192	P165-I168 HydrophobicContact CB-CG1 4.49Å; P165-I168 HydrophobicContact CG-CD1 3.76Å; P165-I168 HydrophobicContact CG-CG1 3.98Å; P165-I168 WeakPolarHBondContact O-CG1 3.44Å; G166-I168 VanDerWaalsContact C-N 3.32Å; G166-I168 PolarHBondContact O-N 2.89Å; I168-Y185 HydrophobicContact CD1-CD1 4.35Å; I168-Y185 HydrophobicContact CD1-CG 4.23Å; I168-V188 HydrophobicContact CB-CG1 4.32Å; I168-V188 HydrophobicContact CD1-CB 4.23Å; I168-V188 HydrophobicContact CD1-CG1 3.83Å; I168-V188 HydrophobicContact CG1-CG1 3.75Å; I168-V188 WeakPolarHBondContact O-CG1 3.43Å; I168-T192 PolarHBondContact O-OG1 3.06Å; I168-T192 VanDerWaalsContact O-OG1 3.14Å
169	H	98.9	Very high	98.7	Very high	16 Å²	16	30.5 Å²	30.5	7%	0.074	15%	0.15	C	C	.	.			trans	-87.5	143.5	-177.9	-60.7	74.8	0	0	0	110.3	I154 P156 P165 G166 H167 V188	I154-H169 HydrophobicContact CD1-CB 4.24Å; P156-H169 HydrophobicContact CB-CB 3.97Å; P156-H169 HydrophobicContact CG-CB 3.97Å; P165-H169 PolarHBondContact O-CE1 2.98Å; P165-H169 VanDerWaalsContact O-CE1 3.24Å; P165-H169 PolarHBondContact O-ND1 2.98Å; G166-H169 WeakPolarHBondContact O-CB 3.33Å; G166-H169 PolarHBondContact O-N 2.77Å; G166-H169 VanDerWaalsContact O-N 3.16Å; H167-H169 VanDerWaalsContact C-N 3.29Å; H169-V188 HydrophobicContact CB-CG1 4.3Å; H169-V188 WeakPolarHBondContact NE2-CG2 3.34Å
170	K	98.8	Very high	98.7	Very high	126 Å²	126	31 Å²	31	55%	0.548	15%	0.153	S	C	.	.			trans	-135.8	130.8	174.5	-173.3	178.4	-180	-176.9	0	108.5	G172 T192 G197 Q198	K170-G172 PolarHBondContact O-N 3.28Å; K170-T192 HydrophobicContact CB-CG2 4.01Å; K170-T192 HydrophobicContact CD-CG2 4.38Å; K170-G197 CarbonylContact O-C 3.46Å; K170-G197 VanDerWaalsContact O-CA 3.3Å; K170-G197 WeakPolarHBondContact O-CA 3.31Å; K170-Q198 PolarHBondContact O-N 2.95Å; K170-Q198 PolarHBondContact O-OE1 2.8Å
171	K	98.8	Very high	98.6	Very high	79 Å²	79	31.4 Å²	31.4	34%	0.343	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	131.5	177	-172	78	-171	-167.3	0	109.5	N155 P156 E158	N155-K171 PolarHBondContact OD1-NZ 3.12Å; P156-K171 HydrophobicContact CB-CB 4.47Å; P156-K171 VanDerWaalsContact O-CD 3.23Å; P156-K171 WeakPolarHBondContact O-CD 3.35Å; E158-K171 IonicContact OE1-NZ 2.95Å; E158-K171 PolarHBondContact OE1-NZ 2.91Å
172	G	98.7	Very high	98.5	Very high	19 Å²	19	36 Å²	36	20%	0.196	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	-147.4	-176.2	0	0	0	0	0	112.4	K170 L196 Q198 S199	K170-G172 PolarHBondContact O-N 3.28Å; G172-L196 WeakPolarHBondContact CA-O 3.35Å; G172-Q198 PolarHBondContact N-O 3.09Å; G172-Q198 CarbonylContact O-C 3.51Å; G172-S199 VanDerWaalsContact O-CA 3.31Å; G172-S199 WeakPolarHBondContact O-CA 3.5Å; G172-S199 PolarHBondContact O-N 3.49Å
173	R	98.8	Very high	98.5	Very high	61 Å²	61	37.2 Å²	37.2	23%	0.23	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-9.6	-157.7	-59.3	166.1	74.5	-168.2	0.7	114.3	L196 T227 E228 G229 F318 L323	R173-L196 PolarHBondContact N-O 3.47Å; R173-T227 CarbonylContact O-C 3.56Å; R173-T227 WeakPolarHBondContact O-CA 3.49Å; R173-E228 HydrophobicContact CB-CB 4.29Å; R173-E228 WeakPolarHBondContact CG-OE1 3.49Å; R173-E228 IonicContact CZ-OE1 3.56Å; R173-E228 IonicContact CZ-OE2 3.37Å; R173-E228 IonicContact NE-OE1 3.6Å; R173-E228 PolarHBondContact NE-OE1 2.85Å; R173-E228 IonicContact NE-OE2 2.64Å; R173-E228 PolarHBondContact NE-OE2 2.9Å; R173-E228 IonicContact NH2-OE1 3.41Å; R173-E228 IonicContact NH2-OE2 3.4Å; R173-E228 PolarHBondContact NH2-OE2 3.45Å; R173-E228 PolarHBondContact O-N 3.34Å; R173-G229 PolarHBondContact O-N 3.02Å; R173-F318 HydrophobicContact CB-CE1 4.37Å; R173-L323 PolarHBondContact NH1-O 3.17Å; R173-L323 PolarHBondContact NH2-O 3.21Å
174	I	98.9	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120	-172	-49.9	-56	0	0	0	111.6	I176 T191 L196 G197 Q198 S199 G229 I231 M314 F318	I174-I176 HydrophobicContact CG2-CG1 4.11Å; I174-T191 HydrophobicContact CG1-CG2 4.3Å; I174-T191 HydrophobicContact CG2-CG2 4.48Å; I174-L196 HydrophobicContact CD1-CB 4.35Å; I174-L196 HydrophobicContact CD1-CD1 4.26Å; I174-L196 HydrophobicContact CG1-CB 3.87Å; I174-L196 HydrophobicContact CG1-CD1 4.34Å; I174-G197 WeakPolarHBondContact CB-O 3.29Å; I174-G197 WeakPolarHBondContact CG1-O 3.17Å; I174-G197 PolarHBondContact N-O 3.23Å; I174-Q198 CarbonylContact O-C 3.47Å; I174-Q198 WeakPolarHBondContact O-CA 3.46Å; I174-Q198 WeakPolarHBondContact O-CB 3.18Å; I174-S199 VanDerWaalsContact C-OG 3.28Å; I174-S199 PolarHBondContact O-N 3.08Å; I174-S199 PolarHBondContact O-OG 2.92Å; I174-G229 CarbonylContact C-O 3.59Å; I174-G229 WeakPolarHBondContact CA-O 3.22Å; I174-I231 HydrophobicContact CG2-CB 4.36Å; I174-I231 HydrophobicContact CG2-CD1 3.9Å; I174-I231 HydrophobicContact CG2-CG1 3.79Å; I174-M314 HydrophobicContact CD1-CG 3.65Å; I174-M314 HydrophobicContact CD1-SD 4.09Å; I174-M314 HydrophobicContact CG1-CG 4.28Å; I174-M314 HydrophobicContact CG2-CE 4.44Å; I174-F318 HydrophobicContact CD1-CE1 4.32Å; I174-F318 HydrophobicContact CD1-CE2 3.64Å; I174-F318 HydrophobicContact CD1-CZ 3.47Å; I174-F318 VanDerWaalsContact CD1-CZ 3.47Å
175	G	98.9	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.3	168.5	0	0	0	0	0	109.8	S199 L200 G229 I230 I231	G175-S199 WeakPolarHBondContact CA-OG 3.45Å; G175-S199 PolarHBondContact N-OG 2.98Å; G175-L200 WeakPolarHBondContact CA-O 3.12Å; G175-G229 PolarHBondContact N-O 3.49Å; G175-I230 CarbonylContact O-C 3.52Å; G175-I230 VanDerWaalsContact O-CA 3.32Å; G175-I230 WeakPolarHBondContact O-CA 3.45Å; G175-I231 PolarHBondContact O-N 3.14Å
176	I	98.9	Very high	98.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.1	-178.8	-52	-174.7	0	0	0	109.8	I174 T184 A187 V188 Q198 L200 C201 V202 I231 I233	I174-I176 HydrophobicContact CG2-CG1 4.11Å; I176-T184 HydrophobicContact CG2-CG2 4.1Å; I176-A187 HydrophobicContact CD1-CB 4.25Å; I176-V188 HydrophobicContact CD1-CG2 3.89Å; I176-Q198 HydrophobicContact CD1-CG 3.75Å; I176-Q198 HydrophobicContact CG1-CG 4.46Å; I176-L200 PolarHBondContact N-O 2.82Å; I176-C201 HydrophobicContact CB-CB 4.22Å; I176-C201 CarbonylContact O-C 3.51Å; I176-C201 WeakPolarHBondContact O-CA 3.26Å; I176-V202 PolarHBondContact O-N 2.83Å; I176-I231 WeakPolarHBondContact CA-O 3.27Å; I176-I231 HydrophobicContact CG1-CB 4.28Å; I176-I231 HydrophobicContact CG2-CB 4.44Å; I176-I231 HydrophobicContact CG2-CG2 4.41Å; I176-I233 HydrophobicContact CG2-CD1 4.46Å
177	V	98.9	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.7	169.9	56.8	0	0	0	0	110.1	V202 I204 F214 C217 F221 I231 L232 I233	V177-V202 WeakPolarHBondContact CA-O 3.34Å; V177-I204 HydrophobicContact CG2-CD1 4.42Å; V177-I204 HydrophobicContact CG2-CG1 4.45Å; V177-I204 HydrophobicContact CG2-CG2 3.81Å; V177-F214 HydrophobicContact CB-CD1 4.33Å; V177-F214 HydrophobicContact CG1-CD1 3.8Å; V177-F214 HydrophobicContact CG1-CE1 4.39Å; V177-F214 HydrophobicContact CG2-CD1 3.63Å; V177-F214 HydrophobicContact CG2-CE1 4.08Å; V177-C217 HydrophobicContact CB-CB 3.79Å; V177-C217 HydrophobicContact CG1-CB 4.31Å; V177-C217 HydrophobicContact CG2-CB 3.68Å; V177-C217 VanDerWaalsContact CG2-SG 3.53Å; V177-F221 HydrophobicContact CB-CE2 3.86Å; V177-F221 HydrophobicContact CB-CZ 4.44Å; V177-F221 HydrophobicContact CG1-CE2 3.99Å; V177-I231 PolarHBondContact N-O 2.88Å; V177-L232 HydrophobicContact CG1-CB 4.36Å; V177-L232 HydrophobicContact CG1-CG 4.27Å; V177-L232 WeakPolarHBondContact O-CA 3.22Å; V177-I233 PolarHBondContact O-N 2.93Å
178	S	98.8	Very high	98.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144	-171.6	-179.2	0	0	0	0	114.1	S180 T184 V202 G203 I204 I233	S178-S180 PolarHBondContact OG-N 3.45Å; S178-S180 PolarHBondContact OG-O 3Å; S178-T184 WeakPolarHBondContact CB-OG1 3.42Å; S178-T184 PolarHBondContact OG-OG1 3.35Å; S178-T184 VanDerWaalsContact OG-OG1 3.08Å; S178-V202 PolarHBondContact N-O 2.78Å; S178-G203 CarbonylContact O-C 3.39Å; S178-G203 WeakPolarHBondContact O-CA 3.48Å; S178-I204 VanDerWaalsContact O-CG1 3.31Å; S178-I204 WeakPolarHBondContact O-CG1 3.09Å; S178-I204 PolarHBondContact O-N 2.79Å; S178-I233 WeakPolarHBondContact CA-O 3.46Å; S178-I233 WeakPolarHBondContact OG-CB 3.15Å
179	R	98.6	Very high	98.6	Very high	17 Å²	17	33.6 Å²	33.6	6%	0.064	17%	0.166	C	C	.	.	S	Bend	trans	-80.7	-18.2	167.1	-72.5	176.6	60.9	-169	-6.8	113.6	I204 G205 G206 F214 I233 E235 I236 G237 E241 G279	R179-I204 HydrophobicContact CG-CD1 3.85Å; R179-I204 HydrophobicContact CG-CG1 3.96Å; R179-G205 CarbonylContact O-C 3.58Å; R179-G205 VanDerWaalsContact O-C 3.3Å; R179-G206 PolarHBondContact O-N 3.28Å; R179-F214 HydrophobicContact CG-CE2 4.25Å; R179-F214 HydrophobicContact CG-CZ 3.73Å; R179-I233 PolarHBondContact N-O 3.38Å; R179-I233 VanDerWaalsContact N-O 3.08Å; R179-E235 HydrophobicContact CB-CG 4.16Å; R179-E235 IonicContact CZ-OE1 3.98Å; R179-E235 IonicContact NE-OE1 2.59Å; R179-E235 PolarHBondContact NH1-O 3.41Å; R179-E235 VanDerWaalsContact NH2-CG 3.3Å; R179-E235 IonicContact NH2-OE1 3Å; R179-E235 PolarHBondContact NH2-OE1 2.83Å; R179-I236 PolarHBondContact NH1-O 2.62Å; R179-I236 VanDerWaalsContact NH1-O 3.12Å; R179-I236 PolarHBondContact NH2-O 3.36Å; R179-I236 VanDerWaalsContact NH2-O 3.07Å; R179-G237 PolarHBondContact NH1-O 3.36Å; R179-G237 VanDerWaalsContact NH1-O 3.15Å; R179-E241 WeakPolarHBondContact CD-OE1 3.15Å; R179-E241 IonicContact CZ-OE1 2.74Å; R179-E241 IonicContact NH1-OE1 3.57Å; R179-E241 PolarHBondContact NH1-OE1 3.45Å; R179-E241 IonicContact NH1-OE2 3.47Å; R179-G279 PolarHBondContact NH2-O 2.92Å
180	S	97.4	Very high	98.6	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.07	17%	0.166	C	C	.	.			trans	-120.6	128	-174.3	170.8	0	0	0	0	112.7	S178 T182 L183 T184	S178-S180 PolarHBondContact OG-N 3.45Å; S178-S180 PolarHBondContact OG-O 3Å; S180-T182 PolarHBondContact OG-OG1 3.43Å; S180-L183 PolarHBondContact OG-N 2.96Å; S180-T184 PolarHBondContact O-N 3.45Å; S180-T184 VanDerWaalsContact O-N 3.14Å; S180-T184 PolarHBondContact O-OG1 3.4Å
181	G	96.8	Very high	98.6	Very high	14 Å²	14	27.5 Å²	27.5	14%	0.144	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-52.8	176.9	0	0	0	0	0	112.8	L183 T184 Y185	G181-L183 PolarHBondContact O-N 3.33Å; G181-T184 WeakPolarHBondContact O-CA 3.49Å; G181-T184 WeakPolarHBondContact O-CB 3.39Å; G181-T184 PolarHBondContact O-N 2.99Å; G181-Y185 WeakPolarHBondContact O-CD1 3.46Å; G181-Y185 VanDerWaalsContact O-CE1 3.29Å; G181-Y185 WeakPolarHBondContact O-CE1 3.1Å; G181-Y185 VanDerWaalsContact O-CG 3.29Å; G181-Y185 PolarHBondContact O-N 3.47Å; G181-Y185 VanDerWaalsContact O-N 3.09Å
182	T	97.6	Very high	98.6	Very high	100 Å²	100	25.5 Å²	25.5	61%	0.613	14%	0.135	S	C	*	.	H	α-helix	trans	-63.7	-40.5	-176.2	49.8	0	0	0	0	112.8	S180 T184 Y185 E186	S180-T182 PolarHBondContact OG-OG1 3.43Å; T182-T184 VanDerWaalsContact C-N 3.26Å; T182-T184 PolarHBondContact O-N 2.97Å; T182-Y185 WeakPolarHBondContact O-CB 3.37Å; T182-Y185 PolarHBondContact O-N 3.42Å; T182-Y185 VanDerWaalsContact O-N 3.08Å; T182-E186 PolarHBondContact O-N 3.23Å; T182-E186 VanDerWaalsContact O-N 3.1Å
183	L	98.3	Very high	98.6	Very high	30 Å²	30	31.1 Å²	31.1	16%	0.157	16%	0.156	C	C	.	.	H	α-helix	trans	-67.8	-28.1	174.6	-67.8	172.6	0	0	0	112.5	S180 G181 Y185 A187 I233 F263 A265 P307	S180-L183 PolarHBondContact OG-N 2.96Å; G181-L183 PolarHBondContact O-N 3.33Å; L183-Y185 VanDerWaalsContact C-N 3.32Å; L183-A187 PolarHBondContact O-N 3.01Å; L183-A187 VanDerWaalsContact O-N 3.13Å; L183-I233 HydrophobicContact CB-CD1 4.36Å; L183-I233 HydrophobicContact CB-CG2 3.77Å; L183-I233 HydrophobicContact CD1-CG2 3.94Å; L183-I233 HydrophobicContact CG-CG2 4.5Å; L183-I233 WeakPolarHBondContact O-CD1 3.47Å; L183-F263 HydrophobicContact CD1-CD1 4.25Å; L183-F263 HydrophobicContact CD1-CE1 4.01Å; L183-F263 HydrophobicContact CD2-CE1 4.19Å; L183-A265 HydrophobicContact CD1-CB 3.95Å; L183-P307 HydrophobicContact CD2-CB 4.08Å
184	T	98.8	Very high	98.6	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-42.8	169.6	-51.7	0	0	0	0	110.3	I176 S178 S180 G181 T182 E186 A187 V188	I176-T184 HydrophobicContact CG2-CG2 4.1Å; S178-T184 WeakPolarHBondContact CB-OG1 3.42Å; S178-T184 PolarHBondContact OG-OG1 3.35Å; S178-T184 VanDerWaalsContact OG-OG1 3.08Å; S180-T184 PolarHBondContact O-N 3.45Å; S180-T184 VanDerWaalsContact O-N 3.14Å; S180-T184 PolarHBondContact O-OG1 3.4Å; G181-T184 WeakPolarHBondContact O-CA 3.49Å; G181-T184 WeakPolarHBondContact O-CB 3.39Å; G181-T184 PolarHBondContact O-N 2.99Å; T182-T184 VanDerWaalsContact C-N 3.26Å; T182-T184 PolarHBondContact O-N 2.97Å; T184-E186 VanDerWaalsContact C-N 3.33Å; T184-E186 PolarHBondContact O-N 2.97Å; T184-A187 PolarHBondContact O-N 3.36Å; T184-V188 HydrophobicContact CG2-CG2 4.18Å; T184-V188 WeakPolarHBondContact O-CB 3.26Å; T184-V188 WeakPolarHBondContact O-CG2 3.44Å; T184-V188 PolarHBondContact O-N 2.9Å
185	Y	98.7	Very high	98.6	Very high	51 Å²	51	33.5 Å²	33.5	20%	0.2	19%	0.189	C	C	.	.	H	α-helix	trans	-66.3	-37.2	-178.2	-50.5	-21.9	0	0	0	111.7	M164 P165 I168 G181 T182 L183 V188 H189	M164-Y185 HydrophobicContact CB-CD1 4.45Å; M164-Y185 HydrophobicContact CB-CE1 3.57Å; P165-Y185 HydrophobicContact CG-CG 4.5Å; I168-Y185 HydrophobicContact CD1-CD1 4.35Å; I168-Y185 HydrophobicContact CD1-CG 4.23Å; G181-Y185 WeakPolarHBondContact O-CD1 3.46Å; G181-Y185 VanDerWaalsContact O-CE1 3.29Å; G181-Y185 WeakPolarHBondContact O-CE1 3.1Å; G181-Y185 VanDerWaalsContact O-CG 3.29Å; G181-Y185 PolarHBondContact O-N 3.47Å; G181-Y185 VanDerWaalsContact O-N 3.09Å; T182-Y185 WeakPolarHBondContact O-CB 3.37Å; T182-Y185 PolarHBondContact O-N 3.42Å; T182-Y185 VanDerWaalsContact O-N 3.08Å; L183-Y185 VanDerWaalsContact C-N 3.32Å; Y185-V188 PolarHBondContact O-N 2.79Å; Y185-H189 WeakPolarHBondContact O-CB 3.31Å; Y185-H189 PolarHBondContact O-N 2.97Å
186	E	98.7	Very high	98.5	Very high	94 Å²	94	33.8 Å²	33.8	44%	0.439	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-51	170	-75.1	-62.6	154.9	0	0	111.8	T182 T184 V188 H189 Q190	T182-E186 PolarHBondContact O-N 3.23Å; T182-E186 VanDerWaalsContact O-N 3.1Å; T184-E186 VanDerWaalsContact C-N 3.33Å; T184-E186 PolarHBondContact O-N 2.97Å; E186-V188 VanDerWaalsContact C-N 3.35Å; E186-V188 PolarHBondContact O-N 3.45Å; E186-H189 PolarHBondContact O-N 3.16Å; E186-Q190 WeakPolarHBondContact O-CB 3.45Å; E186-Q190 WeakPolarHBondContact O-CG 3.49Å; E186-Q190 PolarHBondContact O-N 2.87Å; E186-Q190 PolarHBondContact O-NE2 3.27Å; E186-Q190 PolarHBondContact OE2-NE2 3.29Å
187	A	98.9	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-40.6	179.4	0	0	0	0	0	112.6	I176 L183 T184 T191 I231 I233 L310	I176-A187 HydrophobicContact CD1-CB 4.25Å; L183-A187 PolarHBondContact O-N 3.01Å; L183-A187 VanDerWaalsContact O-N 3.13Å; T184-A187 PolarHBondContact O-N 3.36Å; A187-T191 WeakPolarHBondContact O-CB 3.36Å; A187-T191 WeakPolarHBondContact O-CG2 3.23Å; A187-T191 PolarHBondContact O-N 3Å; A187-T191 PolarHBondContact O-OG1 2.89Å; A187-I231 HydrophobicContact CB-CD1 4.45Å; A187-I231 HydrophobicContact CB-CG2 4.34Å; A187-I233 HydrophobicContact CB-CD1 3.76Å; A187-L310 HydrophobicContact CB-CB 4.46Å; A187-L310 HydrophobicContact CB-CD1 3.83Å
188	V	98.9	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-50.9	175	166.3	0	0	0	0	110.3	I168 H169 I176 T184 Y185 E186 Q190 T191 T192 Q198	I168-V188 HydrophobicContact CB-CG1 4.32Å; I168-V188 HydrophobicContact CD1-CB 4.23Å; I168-V188 HydrophobicContact CD1-CG1 3.83Å; I168-V188 HydrophobicContact CG1-CG1 3.75Å; I168-V188 WeakPolarHBondContact O-CG1 3.43Å; H169-V188 HydrophobicContact CB-CG1 4.3Å; H169-V188 WeakPolarHBondContact NE2-CG2 3.34Å; I176-V188 HydrophobicContact CD1-CG2 3.89Å; T184-V188 HydrophobicContact CG2-CG2 4.18Å; T184-V188 WeakPolarHBondContact O-CB 3.26Å; T184-V188 WeakPolarHBondContact O-CG2 3.44Å; T184-V188 PolarHBondContact O-N 2.9Å; Y185-V188 PolarHBondContact O-N 2.79Å; E186-V188 VanDerWaalsContact C-N 3.35Å; E186-V188 PolarHBondContact O-N 3.45Å; V188-Q190 PolarHBondContact O-N 3.24Å; V188-T191 PolarHBondContact O-N 2.91Å; V188-T191 PolarHBondContact O-OG1 2.8Å; V188-T191 VanDerWaalsContact O-OG1 3.09Å; V188-T192 WeakPolarHBondContact O-CB 3.32Å; V188-T192 PolarHBondContact O-N 2.8Å; V188-T192 PolarHBondContact O-OG1 3.26Å; V188-Q198 HydrophobicContact CG2-CG 4.21Å; V188-Q198 PolarHBondContact O-NE2 3.36Å
189	H	98.8	Very high	98.5	Very high	83 Å²	83	33.9 Å²	33.9	38%	0.384	19%	0.191	S	C	.	.	H	α-helix	trans	-58.6	-50.1	179	-179	65.5	0	0	0	111.4	Y185 E186 T191 T192 Q193	Y185-H189 WeakPolarHBondContact O-CB 3.31Å; Y185-H189 PolarHBondContact O-N 2.97Å; E186-H189 PolarHBondContact O-N 3.16Å; H189-T191 PolarHBondContact O-N 3.23Å; H189-T192 PolarHBondContact O-N 3.49Å; H189-Q193 PolarHBondContact CE1-NE2 3.32Å; H189-Q193 VanDerWaalsContact NE2-CD 3.26Å; H189-Q193 PolarHBondContact NE2-NE2 3.41Å; H189-Q193 WeakPolarHBondContact O-CG 3.49Å; H189-Q193 PolarHBondContact O-N 2.88Å
190	Q	98.9	Very high	98.6	Very high	15 Å²	15	33 Å²	33	7%	0.07	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-42.1	-178.6	-67.6	170.5	38.6	0	0	112.2	E186 V188 Q193 V194 P307 A308	E186-Q190 WeakPolarHBondContact O-CB 3.45Å; E186-Q190 WeakPolarHBondContact O-CG 3.49Å; E186-Q190 PolarHBondContact O-N 2.87Å; E186-Q190 PolarHBondContact O-NE2 3.27Å; E186-Q190 PolarHBondContact OE2-NE2 3.29Å; V188-Q190 PolarHBondContact O-N 3.24Å; Q190-Q193 PolarHBondContact O-N 2.86Å; Q190-V194 WeakPolarHBondContact O-CG2 3.46Å; Q190-V194 PolarHBondContact O-N 3.4Å; Q190-P307 PolarHBondContact NE2-O 3.14Å; Q190-A308 PolarHBondContact OE1-O 3.05Å
191	T	98.9	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.7	-32.1	177.4	50.1	0	0	0	0	113	I174 A187 V188 H189 G195 L196 G197 Q198 I231	I174-T191 HydrophobicContact CG1-CG2 4.3Å; I174-T191 HydrophobicContact CG2-CG2 4.48Å; A187-T191 WeakPolarHBondContact O-CB 3.36Å; A187-T191 WeakPolarHBondContact O-CG2 3.23Å; A187-T191 PolarHBondContact O-N 3Å; A187-T191 PolarHBondContact O-OG1 2.89Å; V188-T191 PolarHBondContact O-N 2.91Å; V188-T191 PolarHBondContact O-OG1 2.8Å; V188-T191 VanDerWaalsContact O-OG1 3.09Å; H189-T191 PolarHBondContact O-N 3.23Å; T191-G195 PolarHBondContact O-N 3.14Å; T191-L196 PolarHBondContact O-N 2.86Å; T191-G197 PolarHBondContact O-N 2.85Å; T191-Q198 PolarHBondContact OG1-NE2 3.39Å; T191-I231 HydrophobicContact CG2-CD1 3.58Å
192	T	98.8	Very high	98.7	Very high	37 Å²	37	32.1 Å²	32.1	23%	0.227	18%	0.179	C	C	.	.	H	α-helix	trans	-67	-43.2	171.7	-64.3	0	0	0	0	111.1	I168 K170 V188 H189 V194 G195 Q198	I168-T192 PolarHBondContact O-OG1 3.06Å; I168-T192 VanDerWaalsContact O-OG1 3.14Å; K170-T192 HydrophobicContact CB-CG2 4.01Å; K170-T192 HydrophobicContact CD-CG2 4.38Å; V188-T192 WeakPolarHBondContact O-CB 3.32Å; V188-T192 PolarHBondContact O-N 2.8Å; V188-T192 PolarHBondContact O-OG1 3.26Å; H189-T192 PolarHBondContact O-N 3.49Å; T192-V194 VanDerWaalsContact C-N 3.34Å; T192-V194 PolarHBondContact O-N 2.72Å; T192-G195 PolarHBondContact O-N 3.45Å; T192-G195 VanDerWaalsContact O-N 3.08Å; T192-Q198 PolarHBondContact OG1-NE2 3.14Å
193	Q	98.7	Very high	98.8	Very high	137 Å²	137	27.4 Å²	27.4	64%	0.64	15%	0.151	S	C	*	.	H	α-helix	trans	-61.9	-38.4	179.9	-79.2	-170.5	-36.1	0	0	113.2	H189 Q190 G195	H189-Q193 PolarHBondContact CE1-NE2 3.32Å; H189-Q193 VanDerWaalsContact NE2-CD 3.26Å; H189-Q193 PolarHBondContact NE2-NE2 3.41Å; H189-Q193 WeakPolarHBondContact O-CG 3.49Å; H189-Q193 PolarHBondContact O-N 2.88Å; Q190-Q193 PolarHBondContact O-N 2.86Å; Q193-G195 PolarHBondContact O-N 3.03Å
194	V	98.6	Very high	98.8	Very high	50 Å²	50	26.1 Å²	26.1	30%	0.303	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	10.8	176.9	-56.2	0	0	0	0	113.3	Q190 T192 L196 F315	Q190-V194 WeakPolarHBondContact O-CG2 3.46Å; Q190-V194 PolarHBondContact O-N 3.4Å; T192-V194 VanDerWaalsContact C-N 3.34Å; T192-V194 PolarHBondContact O-N 2.72Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 HydrophobicContact CG2-CB 4.41Å; V194-L196 HydrophobicContact CG2-CD1 3.82Å; V194-L196 HydrophobicContact CG2-CG 3.93Å; V194-L196 PolarHBondContact O-N 3.43Å; V194-F315 HydrophobicContact CB-CB 4.42Å; V194-F315 HydrophobicContact CB-CD2 3.86Å; V194-F315 HydrophobicContact CB-CG 4.4Å; V194-F315 HydrophobicContact CG2-CB 4.24Å; V194-F315 HydrophobicContact CG2-CD2 4.15Å
195	G	98.6	Very high	98.8	Very high	60 Å²	60	25.9 Å²	25.9	62%	0.619	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	5.3	172.7	0	0	0	0	0	116.2	T191 T192 Q193	T191-G195 PolarHBondContact O-N 3.14Å; T192-G195 PolarHBondContact O-N 3.45Å; T192-G195 VanDerWaalsContact O-N 3.08Å; Q193-G195 PolarHBondContact O-N 3.03Å
196	L	98.8	Very high	98.7	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.037	13%	0.133	C	C	.	.			trans	-80.7	-35	-177.7	-66.9	173.5	0	0	0	113.3	G172 R173 I174 T191 V194 M314 F315 F318 L324	G172-L196 WeakPolarHBondContact CA-O 3.35Å; R173-L196 PolarHBondContact N-O 3.47Å; I174-L196 HydrophobicContact CD1-CB 4.35Å; I174-L196 HydrophobicContact CD1-CD1 4.26Å; I174-L196 HydrophobicContact CG1-CB 3.87Å; I174-L196 HydrophobicContact CG1-CD1 4.34Å; T191-L196 PolarHBondContact O-N 2.86Å; V194-L196 VanDerWaalsContact C-N 3.33Å; V194-L196 HydrophobicContact CG2-CB 4.41Å; V194-L196 HydrophobicContact CG2-CD1 3.82Å; V194-L196 HydrophobicContact CG2-CG 3.93Å; V194-L196 PolarHBondContact O-N 3.43Å; L196-M314 HydrophobicContact CD1-CB 4.33Å; L196-M314 HydrophobicContact CD1-CG 3.87Å; L196-F315 HydrophobicContact CD1-CB 4.26Å; L196-F315 HydrophobicContact CG-CD2 4.47Å; L196-F318 HydrophobicContact CD2-CD1 3.76Å; L196-F318 HydrophobicContact CD2-CE1 4.08Å; L196-F318 HydrophobicContact CD2-CG 4.18Å; L196-L324 HydrophobicContact CD2-CD2 4.07Å
197	G	98.8	Very high	98.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.01	11%	0.114	C	C	.	.			trans	59	-171	-175.9	0	0	0	0	0	113.7	K170 I174 T191	K170-G197 CarbonylContact O-C 3.46Å; K170-G197 VanDerWaalsContact O-CA 3.3Å; K170-G197 WeakPolarHBondContact O-CA 3.31Å; I174-G197 WeakPolarHBondContact CB-O 3.29Å; I174-G197 WeakPolarHBondContact CG1-O 3.17Å; I174-G197 PolarHBondContact N-O 3.23Å; T191-G197 PolarHBondContact O-N 2.85Å
198	Q	98.9	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139	-175.3	-47.9	80.2	39.6	0	0	112.4	P156 K170 G172 I174 I176 V188 T191 T192 C201	P156-Q198 HydrophobicContact CG-CB 4.1Å; K170-Q198 PolarHBondContact O-N 2.95Å; K170-Q198 PolarHBondContact O-OE1 2.8Å; G172-Q198 PolarHBondContact N-O 3.09Å; G172-Q198 CarbonylContact O-C 3.51Å; I174-Q198 CarbonylContact O-C 3.47Å; I174-Q198 WeakPolarHBondContact O-CA 3.46Å; I174-Q198 WeakPolarHBondContact O-CB 3.18Å; I176-Q198 HydrophobicContact CD1-CG 3.75Å; I176-Q198 HydrophobicContact CG1-CG 4.46Å; V188-Q198 HydrophobicContact CG2-CG 4.21Å; V188-Q198 PolarHBondContact O-NE2 3.36Å; T191-Q198 PolarHBondContact OG1-NE2 3.39Å; T192-Q198 PolarHBondContact OG1-NE2 3.14Å; Q198-C201 VanDerWaalsContact CB-SG 3.56Å
199	S	98.8	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-52.8	176.7	56.5	0	0	0	0	111	N155 G172 I174 G175 T227	N155-S199 PolarHBondContact OD1-O 3.43Å; G172-S199 VanDerWaalsContact O-CA 3.31Å; G172-S199 WeakPolarHBondContact O-CA 3.5Å; G172-S199 PolarHBondContact O-N 3.49Å; I174-S199 VanDerWaalsContact C-OG 3.28Å; I174-S199 PolarHBondContact O-N 3.08Å; I174-S199 PolarHBondContact O-OG 2.92Å; G175-S199 WeakPolarHBondContact CA-OG 3.45Å; G175-S199 PolarHBondContact N-OG 2.98Å; S199-T227 WeakPolarHBondContact CB-OG1 3.38Å; S199-T227 PolarHBondContact OG-OG1 3.38Å
200	L	98.9	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	134.2	176.9	179.6	72	0	0	0	109	Y29 I30 V153 N155 G175 I176 V202 V220 F221	Y29-L200 HydrophobicContact CD2-CD2 4.1Å; I30-L200 HydrophobicContact CG1-CD1 4.29Å; V153-L200 HydrophobicContact CG1-CD1 3.81Å; N155-L200 HydrophobicContact CB-CD1 3.99Å; G175-L200 WeakPolarHBondContact CA-O 3.12Å; I176-L200 PolarHBondContact N-O 2.82Å; L200-V202 HydrophobicContact CD2-CG2 4.11Å; L200-V202 HydrophobicContact CG-CG2 4.13Å; L200-V220 HydrophobicContact CD2-CG1 4.33Å; L200-F221 HydrophobicContact CB-CE1 4.07Å; L200-F221 HydrophobicContact CD2-CE1 4.09Å; L200-F221 HydrophobicContact CG-CE1 4.3Å
201	C	98.9	Very high	98.4	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.02	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.4	174.3	-51.8	0	0	0	0	110.6	V153 I154 I176 Q198	V153-C201 WeakPolarHBondContact CA-O 3.19Å; I154-C201 HydrophobicContact CG2-CB 3.71Å; I154-C201 PolarHBondContact N-O 3.29Å; I154-C201 PolarHBondContact O-N 3.17Å; I176-C201 HydrophobicContact CB-CB 4.22Å; I176-C201 CarbonylContact O-C 3.51Å; I176-C201 WeakPolarHBondContact O-CA 3.26Å; Q198-C201 VanDerWaalsContact CB-SG 3.56Å
202	V	98.9	Very high	98.4	Very high	1 Å²	1	22 Å²	22	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	108	-179.1	-174.9	0	0	0	0	109.3	V146 V153 I176 V177 S178 L200 I204 F221	V146-V202 HydrophobicContact CG1-CG1 4.25Å; V146-V202 HydrophobicContact CG2-CG1 4.46Å; V153-V202 HydrophobicContact CG1-CG2 4.12Å; V153-V202 HydrophobicContact CG2-CG1 4.09Å; V153-V202 HydrophobicContact CG2-CG2 4.49Å; I176-V202 PolarHBondContact O-N 2.83Å; V177-V202 WeakPolarHBondContact CA-O 3.34Å; S178-V202 PolarHBondContact N-O 2.78Å; L200-V202 HydrophobicContact CD2-CG2 4.11Å; L200-V202 HydrophobicContact CG-CG2 4.13Å; V202-I204 HydrophobicContact CG1-CG2 3.95Å; V202-I204 PolarHBondContact O-N 3.49Å; V202-F221 HydrophobicContact CG2-CZ 4.4Å
203	G	98.9	Very high	98.3	Very high	2 Å²	2	23 Å²	23	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	106.2	166.4	0	0	0	0	0	109.8	V146 C150 G152 S178 G205	V146-G203 WeakPolarHBondContact CG1-O 2.91Å; C150-G203 VanDerWaalsContact CB-O 3.26Å; C150-G203 WeakPolarHBondContact CB-O 3.41Å; G152-G203 PolarHBondContact O-N 3.14Å; S178-G203 CarbonylContact O-C 3.39Å; S178-G203 WeakPolarHBondContact O-CA 3.48Å; G203-G205 VanDerWaalsContact C-N 3.3Å
204	I	98.8	Very high	98.4	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	11%	0.106	C	C	.	.			trans	-78.4	-16.7	-178.4	58	167.6	0	0	0	113.4	V177 S178 R179 V202 N210 T212 F214	V177-I204 HydrophobicContact CG2-CD1 4.42Å; V177-I204 HydrophobicContact CG2-CG1 4.45Å; V177-I204 HydrophobicContact CG2-CG2 3.81Å; S178-I204 VanDerWaalsContact O-CG1 3.31Å; S178-I204 WeakPolarHBondContact O-CG1 3.09Å; S178-I204 PolarHBondContact O-N 2.79Å; R179-I204 HydrophobicContact CG-CD1 3.85Å; R179-I204 HydrophobicContact CG-CG1 3.96Å; V202-I204 HydrophobicContact CG1-CG2 3.95Å; V202-I204 PolarHBondContact O-N 3.49Å; I204-N210 PolarHBondContact O-ND2 2.97Å; I204-T212 WeakPolarHBondContact CB-O 3.37Å; I204-T212 HydrophobicContact CG2-CG2 3.84Å; I204-F214 HydrophobicContact CD1-CD1 3.98Å; I204-F214 HydrophobicContact CD1-CD2 4.3Å; I204-F214 HydrophobicContact CD1-CE1 3.87Å; I204-F214 HydrophobicContact CD1-CE2 4.18Å; I204-F214 HydrophobicContact CD1-CG 4.2Å; I204-F214 HydrophobicContact CD1-CZ 3.98Å
205	G	98.4	Very high	98.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.099	C	C	.	.			trans	95.8	165.6	173.3	0	0	0	0	0	115.5	N149 R179 G203	N149-G205 CarbonylContact O-C 3.55Å; N149-G205 WeakPolarHBondContact O-CA 3.45Å; R179-G205 CarbonylContact O-C 3.58Å; R179-G205 VanDerWaalsContact O-C 3.3Å; G203-G205 VanDerWaalsContact C-N 3.3Å
206	G	97.8	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-91.2	-2.2	-173.9	0	0	0	0	0	115.1	N149 R179 G279	N149-G206 PolarHBondContact O-N 3.22Å; R179-G206 PolarHBondContact O-N 3.28Å; G206-G279 WeakPolarHBondContact O-CA 3.38Å; G206-G279 PolarHBondContact O-N 2.97Å
207	D	97.7	Very high	98.4	Very high	9 Å²	9	12.9 Å²	12.9	5%	0.048	7%	0.07	C	C	.	.			trans	-83.6	147.6	-176.8	-83.9	10.7	0	0	0	112.8	P148 N149 F209 A278	P148-D207 HydrophobicContact CG-CB 4.27Å; N149-D207 HydrophobicContact CB-CB 4.22Å; N149-D207 VanDerWaalsContact CB-CG 3.47Å; N149-D207 VanDerWaalsContact CB-OD1 3.27Å; N149-D207 WeakPolarHBondContact CB-OD1 3.32Å; N149-D207 PolarHBondContact ND2-OD1 3.08Å; D207-F209 VanDerWaalsContact C-N 3.29Å; D207-F209 PolarHBondContact O-N 2.79Å; D207-A278 WeakPolarHBondContact OD1-CB 3.48Å
208	P	94.9	Very high	98.4	Very high	53 Å²	53	12.9 Å²	12.9	34%	0.344	7%	0.07	S	C	.	.	S	Bend	trans	-71.4	-21.6	-176.2	28.1	-34.1	0	0	0	113.8	Q127	Q127-P208 HydrophobicContact CG-CG 4.08Å
209	F	97.6	Very high	98.4	Very high	72 Å²	72	14.9 Å²	14.9	32%	0.316	8%	0.079	S	C	.	.	S	Bend	trans	-125.4	100.1	176.8	-56.2	-77.5	0	0	0	109.2	Q127 M130 V131 D207	Q127-F209 HydrophobicContact CB-CD2 4.13Å; Q127-F209 HydrophobicContact CB-CE2 4.24Å; M130-F209 HydrophobicContact CB-CB 3.91Å; M130-F209 WeakPolarHBondContact CE-O 3.37Å; V131-F209 HydrophobicContact CG2-CD1 4.13Å; V131-F209 HydrophobicContact CG2-CD2 4.09Å; V131-F209 HydrophobicContact CG2-CE1 4.17Å; V131-F209 HydrophobicContact CG2-CE2 4.14Å; V131-F209 HydrophobicContact CG2-CG 4.1Å; V131-F209 HydrophobicContact CG2-CZ 4.17Å; D207-F209 VanDerWaalsContact C-N 3.29Å; D207-F209 PolarHBondContact O-N 2.79Å
210	N	97.6	Very high	98.3	Very high	21 Å²	21	15.5 Å²	15.5	11%	0.112	8%	0.083	C	C	.	.			trans	-123.2	172.1	179.4	57.3	19.3	0	0	0	111.3	G147 I204 T212	G147-N210 WeakPolarHBondContact O-CA 3.19Å; G147-N210 VanDerWaalsContact O-CB 3.23Å; G147-N210 WeakPolarHBondContact O-CB 3.44Å; I204-N210 PolarHBondContact O-ND2 2.97Å; N210-T212 PolarHBondContact OD1-O 2.83Å
211	G	98.3	Very high	98.3	Very high	5 Å²	5	15.6 Å²	15.6	5%	0.052	8%	0.083	C	C	.	.	S	Bend	trans	-88.4	-14.1	-177.2	0	0	0	0	0	115.6	Y21 R144 L145 G147	Y21-G211 VanDerWaalsContact CE1-O 3.23Å; Y21-G211 WeakPolarHBondContact CE1-O 3.36Å; Y21-G211 PolarHBondContact OH-O 2.64Å; R144-G211 PolarHBondContact NH1-O 3.48Å; L145-G211 CarbonylContact O-C 3.58Å; L145-G211 VanDerWaalsContact O-CA 3.24Å; L145-G211 WeakPolarHBondContact O-CA 3.49Å; G147-G211 PolarHBondContact O-N 2.97Å
212	T	98.8	Very high	98.3	Very high	1 Å²	1	17 Å²	17	1%	0.006	9%	0.09	C	C	.	.			trans	-141.4	135.2	-177.8	-66.9	0	0	0	0	108.8	L28 R144 L145 I204 N210 D216	L28-T212 HydrophobicContact CD1-CG2 3.96Å; L28-T212 HydrophobicContact CD2-CG2 4.05Å; R144-T212 WeakPolarHBondContact CD-OG1 3.13Å; L145-T212 WeakPolarHBondContact O-CB 3.2Å; L145-T212 PolarHBondContact O-N 2.84Å; L145-T212 PolarHBondContact O-OG1 3.39Å; I204-T212 WeakPolarHBondContact CB-O 3.37Å; I204-T212 HydrophobicContact CG2-CG2 3.84Å; N210-T212 PolarHBondContact OD1-O 2.83Å; T212-D216 HydrophobicContact CG2-CB 3.83Å
213	N	98.5	Very high	98.3	Very high	59 Å²	59	23.4 Å²	23.4	32%	0.316	12%	0.12	S	C	.	.			trans	-115.3	-177.9	177.5	66.9	31.2	0	0	0	111.7	I215 D216 C217	N213-I215 PolarHBondContact O-N 2.82Å; N213-I215 WeakPolarHBondContact OD1-CA 3.32Å; N213-I215 WeakPolarHBondContact OD1-CB 3.31Å; N213-I215 PolarHBondContact OD1-N 3.08Å; N213-D216 PolarHBondContact N-OD2 3.29Å; N213-D216 PolarHBondContact O-N 2.95Å; N213-D216 PolarHBondContact OD1-N 3.26Å; N213-C217 PolarHBondContact O-N 3.41Å; N213-C217 PolarHBondContact O-SG 2.97Å
214	F	98.9	Very high	98.2	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-57.4	-46.1	177.5	-68.7	-62.6	0	0	0	112.8	V177 R179 I204 D216 C217 L218 L232 A240 E241 A244	V177-F214 HydrophobicContact CB-CD1 4.33Å; V177-F214 HydrophobicContact CG1-CD1 3.8Å; V177-F214 HydrophobicContact CG1-CE1 4.39Å; V177-F214 HydrophobicContact CG2-CD1 3.63Å; V177-F214 HydrophobicContact CG2-CE1 4.08Å; R179-F214 HydrophobicContact CG-CE2 4.25Å; R179-F214 HydrophobicContact CG-CZ 3.73Å; I204-F214 HydrophobicContact CD1-CD1 3.98Å; I204-F214 HydrophobicContact CD1-CD2 4.3Å; I204-F214 HydrophobicContact CD1-CE1 3.87Å; I204-F214 HydrophobicContact CD1-CE2 4.18Å; I204-F214 HydrophobicContact CD1-CG 4.2Å; I204-F214 HydrophobicContact CD1-CZ 3.98Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 3.2Å; F214-C217 PolarHBondContact O-N 2.73Å; F214-C217 VanDerWaalsContact O-N 3.09Å; F214-L218 VanDerWaalsContact O-CG 3.29Å; F214-L218 WeakPolarHBondContact O-CG 3.48Å; F214-L218 PolarHBondContact O-N 3.26Å; F214-L232 HydrophobicContact CB-CD1 4.18Å; F214-L232 HydrophobicContact CD1-CD1 3.82Å; F214-L232 HydrophobicContact CD1-CD2 4.18Å; F214-L232 HydrophobicContact CD1-CG 3.68Å; F214-L232 HydrophobicContact CE1-CD1 4.38Å; F214-L232 HydrophobicContact CE1-CD2 3.91Å; F214-L232 HydrophobicContact CE1-CG 3.79Å; F214-L232 HydrophobicContact CG-CD1 4.01Å; F214-L232 HydrophobicContact CG-CG 4.31Å; F214-L232 HydrophobicContact CZ-CD2 4.13Å; F214-L232 HydrophobicContact CZ-CG 4.49Å; F214-A240 HydrophobicContact CD2-CB 3.76Å; F214-A240 HydrophobicContact CE2-CB 4.01Å; F214-E241 HydrophobicContact CD2-CG 4.31Å; F214-E241 HydrophobicContact CE2-CG 3.63Å; F214-E241 WeakPolarHBondContact CE2-OE1 3.33Å; F214-E241 HydrophobicContact CZ-CG 4.21Å; F214-A244 HydrophobicContact CB-CB 3.71Å; F214-A244 HydrophobicContact CG-CB 4.4Å
215	I	98.8	Very high	98.2	Very high	31 Å²	31	29.2 Å²	29.2	16%	0.159	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-42.3	-178.8	-64.1	174	0	0	0	111.2	N213 C217 L218 E219 N243 Y247	N213-I215 PolarHBondContact O-N 2.82Å; N213-I215 WeakPolarHBondContact OD1-CA 3.32Å; N213-I215 WeakPolarHBondContact OD1-CB 3.31Å; N213-I215 PolarHBondContact OD1-N 3.08Å; I215-C217 PolarHBondContact O-N 3.01Å; I215-L218 PolarHBondContact O-N 3.48Å; I215-E219 WeakPolarHBondContact O-CB 3.38Å; I215-E219 PolarHBondContact O-N 3.23Å; I215-N243 HydrophobicContact CD1-CB 4.03Å; I215-Y247 HydrophobicContact CB-CG 4.43Å; I215-Y247 HydrophobicContact CD1-CG 4.4Å; I215-Y247 HydrophobicContact CG1-CD2 4.41Å; I215-Y247 HydrophobicContact CG1-CG 4.03Å; I215-Y247 HydrophobicContact CG2-CD1 4.24Å; I215-Y247 HydrophobicContact CG2-CD2 3.47Å; I215-Y247 VanDerWaalsContact CG2-CD2 3.47Å; I215-Y247 HydrophobicContact CG2-CE1 4.39Å; I215-Y247 HydrophobicContact CG2-CE2 3.65Å; I215-Y247 HydrophobicContact CG2-CG 3.79Å
216	D	98.8	Very high	98.1	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.053	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-37.1	178.1	-68.2	-30.2	0	0	0	112.1	R25 L28 R144 T212 N213 F214	R25-D216 HydrophobicContact CG-CB 4.13Å; R25-D216 IonicContact CZ-OD1 2.74Å; R25-D216 VanDerWaalsContact CZ-OD1 3.3Å; R25-D216 IonicContact NE-OD1 2.78Å; R25-D216 PolarHBondContact NE-OD1 3.13Å; R25-D216 IonicContact NH2-OD1 2.7Å; R25-D216 PolarHBondContact NH2-OD1 3.33Å; L28-D216 HydrophobicContact CD1-CB 4.4Å; R144-D216 IonicContact CZ-OD2 3.98Å; R144-D216 IonicContact NH1-OD1 2.87Å; R144-D216 IonicContact NH1-OD2 3.3Å; R144-D216 PolarHBondContact NH1-OD2 2.85Å; T212-D216 HydrophobicContact CG2-CB 3.83Å; N213-D216 PolarHBondContact N-OD2 3.29Å; N213-D216 PolarHBondContact O-N 2.95Å; N213-D216 PolarHBondContact OD1-N 3.26Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 3.2Å
217	C	98.9	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-79.1	-40.5	176.7	-55.6	0	0	0	0	112	V177 N213 F214 I215 E219 V220 F221	V177-C217 HydrophobicContact CB-CB 3.79Å; V177-C217 HydrophobicContact CG1-CB 4.31Å; V177-C217 HydrophobicContact CG2-CB 3.68Å; V177-C217 VanDerWaalsContact CG2-SG 3.53Å; N213-C217 PolarHBondContact O-N 3.41Å; N213-C217 PolarHBondContact O-SG 2.97Å; F214-C217 PolarHBondContact O-N 2.73Å; F214-C217 VanDerWaalsContact O-N 3.09Å; I215-C217 PolarHBondContact O-N 3.01Å; C217-E219 VanDerWaalsContact C-N 3.3Å; C217-E219 PolarHBondContact O-N 2.98Å; C217-V220 WeakPolarHBondContact O-CB 3.48Å; C217-V220 PolarHBondContact O-N 2.74Å; C217-V220 VanDerWaalsContact O-N 3.12Å; C217-F221 HydrophobicContact CB-CD2 4.38Å; C217-F221 HydrophobicContact CB-CE2 3.9Å; C217-F221 HydrophobicContact CB-CZ 4.23Å; C217-F221 VanDerWaalsContact O-CD2 3.29Å; C217-F221 WeakPolarHBondContact O-CD2 3.37Å; C217-F221 VanDerWaalsContact O-CG 3.22Å; C217-F221 WeakPolarHBondContact O-CG 3.35Å; C217-F221 PolarHBondContact O-N 3.23Å
218	L	98.9	Very high	98.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.5	-43	176.6	-72	174.7	0	0	0	111.1	F214 I215 V220 F221 L222 I230 L232 A244 Y247 L248	F214-L218 VanDerWaalsContact O-CG 3.29Å; F214-L218 WeakPolarHBondContact O-CG 3.48Å; F214-L218 PolarHBondContact O-N 3.26Å; I215-L218 PolarHBondContact O-N 3.48Å; L218-V220 VanDerWaalsContact C-N 3.3Å; L218-V220 PolarHBondContact O-N 3.04Å; L218-F221 PolarHBondContact O-N 2.85Å; L218-L222 WeakPolarHBondContact O-CB 3.38Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 3.4Å; L218-I230 HydrophobicContact CD2-CD1 4.1Å; L218-I230 HydrophobicContact CD2-CG2 3.87Å; L218-L232 HydrophobicContact CD1-CD1 4.48Å; L218-A244 HydrophobicContact CD1-CB 3.93Å; L218-Y247 HydrophobicContact CB-CD1 4.2Å; L218-Y247 HydrophobicContact CB-CE1 4Å; L218-Y247 HydrophobicContact CD1-CD1 4.19Å; L218-L248 HydrophobicContact CD1-CD1 4.23Å; L218-L248 HydrophobicContact CD1-CD2 4.06Å; L218-L248 HydrophobicContact CD1-CG 3.93Å; L218-L248 HydrophobicContact CD2-CD2 4.12Å
219	E	98.4	Very high	98.4	Very high	42 Å²	42	34.5 Å²	34.5	20%	0.196	18%	0.176	C	C	.	.	H	α-helix	trans	-54.9	-47	174.2	-171.7	83.8	-130.2	0	0	111.3	R25 I215 C217 Q223 Y247	R25-E219 IonicContact CZ-OE2 2.96Å; R25-E219 IonicContact NH1-OE2 3.72Å; R25-E219 PolarHBondContact NH1-OE2 3.24Å; I215-E219 WeakPolarHBondContact O-CB 3.38Å; I215-E219 PolarHBondContact O-N 3.23Å; C217-E219 VanDerWaalsContact C-N 3.3Å; C217-E219 PolarHBondContact O-N 2.98Å; E219-Q223 WeakPolarHBondContact O-CB 3.23Å; E219-Q223 VanDerWaalsContact O-CG 3.25Å; E219-Q223 WeakPolarHBondContact O-CG 3.21Å; E219-Q223 PolarHBondContact O-N 3.33Å; E219-Q223 PolarHBondContact OE1-NE2 3.49Å; E219-Y247 PolarHBondContact OE1-OH 2.68Å; E219-Y247 PolarHBondContact OE2-OH 3.41Å
220	V	98.6	Very high	98.5	Very high	14 Å²	14	31.1 Å²	31.1	9%	0.085	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-45.5	178	173.8	0	0	0	0	111.1	R25 L28 Y29 L200 C217 L218 Q223 D224	R25-V220 HydrophobicContact CB-CG2 4.32Å; L28-V220 HydrophobicContact CB-CG2 4.39Å; L28-V220 HydrophobicContact CD1-CG2 4.11Å; Y29-V220 HydrophobicContact CD2-CG1 3.91Å; L200-V220 HydrophobicContact CD2-CG1 4.33Å; C217-V220 WeakPolarHBondContact O-CB 3.48Å; C217-V220 PolarHBondContact O-N 2.74Å; C217-V220 VanDerWaalsContact O-N 3.12Å; L218-V220 VanDerWaalsContact C-N 3.3Å; L218-V220 PolarHBondContact O-N 3.04Å; V220-Q223 PolarHBondContact O-N 3.44Å; V220-D224 VanDerWaalsContact O-CB 3.29Å; V220-D224 WeakPolarHBondContact O-CB 3.42Å; V220-D224 PolarHBondContact O-N 3.48Å
221	F	98.8	Very high	98.6	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-68.8	-39.1	-177.9	-64	-29	0	0	0	113.4	V177 L200 V202 C217 L218 Q223 D224 T227 I230 K258	V177-F221 HydrophobicContact CB-CE2 3.86Å; V177-F221 HydrophobicContact CB-CZ 4.44Å; V177-F221 HydrophobicContact CG1-CE2 3.99Å; L200-F221 HydrophobicContact CB-CE1 4.07Å; L200-F221 HydrophobicContact CD2-CE1 4.09Å; L200-F221 HydrophobicContact CG-CE1 4.3Å; V202-F221 HydrophobicContact CG2-CZ 4.4Å; C217-F221 HydrophobicContact CB-CD2 4.38Å; C217-F221 HydrophobicContact CB-CE2 3.9Å; C217-F221 HydrophobicContact CB-CZ 4.23Å; C217-F221 VanDerWaalsContact O-CD2 3.29Å; C217-F221 WeakPolarHBondContact O-CD2 3.37Å; C217-F221 VanDerWaalsContact O-CG 3.22Å; C217-F221 WeakPolarHBondContact O-CG 3.35Å; C217-F221 PolarHBondContact O-N 3.23Å; L218-F221 PolarHBondContact O-N 2.85Å; F221-Q223 VanDerWaalsContact C-N 3.3Å; F221-Q223 PolarHBondContact O-N 2.77Å; F221-D224 PolarHBondContact O-N 3.08Å; F221-T227 HydrophobicContact CB-CG2 3.84Å; F221-T227 HydrophobicContact CD1-CG2 4.31Å; F221-T227 HydrophobicContact CG-CG2 4.23Å; F221-I230 HydrophobicContact CB-CD1 3.57Å; F221-I230 HydrophobicContact CB-CG1 3.88Å; F221-I230 HydrophobicContact CD2-CD1 4.36Å; F221-I230 HydrophobicContact CD2-CG1 4.28Å; F221-I230 HydrophobicContact CD2-CG2 3.84Å; F221-I230 HydrophobicContact CE2-CG2 4.36Å; F221-I230 HydrophobicContact CG-CD1 4.44Å; F221-I230 HydrophobicContact CG-CG1 4.41Å; F221-K258 PolarHBondContact O-NZ 2.91Å
222	L	98.6	Very high	98.6	Very high	32 Å²	32	29.9 Å²	29.9	17%	0.168	15%	0.153	C	C	.	.	H	α-helix	trans	-66.9	-35.1	178.3	-68.4	177.5	0	0	0	111.1	L218 I230 Y247 H251 N252 K258	L218-L222 WeakPolarHBondContact O-CB 3.38Å; L218-L222 WeakPolarHBondContact O-CG 3.38Å; L218-L222 PolarHBondContact O-N 3.4Å; L222-I230 HydrophobicContact CD2-CD1 3.87Å; L222-I230 HydrophobicContact CG-CD1 4.32Å; L222-Y247 HydrophobicContact CD1-CE1 3.95Å; L222-H251 HydrophobicContact CD1-CB 4.16Å; L222-N252 HydrophobicContact CD1-CB 4.17Å; L222-N252 HydrophobicContact CD2-CB 4.02Å; L222-N252 VanDerWaalsContact CD2-OD1 3.25Å; L222-N252 WeakPolarHBondContact CD2-OD1 3.31Å; L222-K258 HydrophobicContact CD2-CB 4.45Å; L222-K258 HydrophobicContact CD2-CD 4.31Å; L222-K258 HydrophobicContact CD2-CG 4.44Å; L222-K258 WeakPolarHBondContact O-CE 3.45Å; L222-K258 PolarHBondContact O-NZ 3.34Å
223	Q	97.5	Very high	98.6	Very high	136 Å²	136	29.9 Å²	29.9	64%	0.636	15%	0.153	S	C	*	.	H	α-helix	trans	-82.4	-21.5	177.4	-64.4	178.5	14.2	0	0	114	E219 V220 F221 P225	E219-Q223 WeakPolarHBondContact O-CB 3.23Å; E219-Q223 VanDerWaalsContact O-CG 3.25Å; E219-Q223 WeakPolarHBondContact O-CG 3.21Å; E219-Q223 PolarHBondContact O-N 3.33Å; E219-Q223 PolarHBondContact OE1-NE2 3.49Å; V220-Q223 PolarHBondContact O-N 3.44Å; F221-Q223 VanDerWaalsContact C-N 3.3Å; F221-Q223 PolarHBondContact O-N 2.77Å; Q223-P225 WeakPolarHBondContact O-CD 3.24Å
224	D	98.1	Very high	98.6	Very high	14 Å²	14	27.1 Å²	27.1	8%	0.075	14%	0.138	C	C	.	.			trans	-78.7	115.8	-179.3	174.8	27.6	0	0	0	112	Y29 V220 F221 K226 T227 K258	Y29-D224 HydrophobicContact CE2-CB 4.14Å; Y29-D224 WeakPolarHBondContact CE2-OD2 3.45Å; Y29-D224 PolarHBondContact OH-OD2 3.17Å; V220-D224 VanDerWaalsContact O-CB 3.29Å; V220-D224 WeakPolarHBondContact O-CB 3.42Å; V220-D224 PolarHBondContact O-N 3.48Å; F221-D224 PolarHBondContact O-N 3.08Å; D224-K226 PolarHBondContact O-N 3.04Å; D224-K226 WeakPolarHBondContact OD1-CB 3.23Å; D224-K226 PolarHBondContact OD1-N 3.27Å; D224-T227 PolarHBondContact O-N 3.18Å; D224-T227 VanDerWaalsContact O-N 3.1Å; D224-T227 PolarHBondContact OD2-N 3.26Å; D224-T227 PolarHBondContact OD2-OG1 3.15Å; D224-K258 PolarHBondContact O-NZ 3.32Å
225	P	97.6	Very high	98.6	Very high	113 Å²	113	27.6 Å²	27.6	73%	0.734	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.4	177.6	28.5	-35.9	0	0	0	113.5	Q223 T227	Q223-P225 WeakPolarHBondContact O-CD 3.24Å; P225-T227 VanDerWaalsContact C-N 3.29Å
226	K	97.9	Very high	98.5	Very high	108 Å²	108	26.2 Å²	26.2	47%	0.47	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-14.9	175.3	-58	-179	-172.5	168.9	0	112.7	D224	D224-K226 PolarHBondContact O-N 3.04Å; D224-K226 WeakPolarHBondContact OD1-CB 3.23Å; D224-K226 PolarHBondContact OD1-N 3.27Å
227	T	98.8	Very high	98.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.132	C	C	.	.			trans	-96.1	111.9	175.5	-62.1	0	0	0	0	108.4	R173 S199 F221 D224 P225 G229 I230 K258	R173-T227 CarbonylContact O-C 3.56Å; R173-T227 WeakPolarHBondContact O-CA 3.49Å; S199-T227 WeakPolarHBondContact CB-OG1 3.38Å; S199-T227 PolarHBondContact OG-OG1 3.38Å; F221-T227 HydrophobicContact CB-CG2 3.84Å; F221-T227 HydrophobicContact CD1-CG2 4.31Å; F221-T227 HydrophobicContact CG-CG2 4.23Å; D224-T227 PolarHBondContact O-N 3.18Å; D224-T227 VanDerWaalsContact O-N 3.1Å; D224-T227 PolarHBondContact OD2-N 3.26Å; D224-T227 PolarHBondContact OD2-OG1 3.15Å; P225-T227 VanDerWaalsContact C-N 3.29Å; T227-G229 WeakPolarHBondContact CG2-O 3.41Å; T227-I230 HydrophobicContact CG2-CG1 4.05Å; T227-K258 VanDerWaalsContact O-CD 3.27Å; T227-K258 WeakPolarHBondContact O-CD 3.37Å; T227-K258 VanDerWaalsContact O-CE 3.26Å; T227-K258 WeakPolarHBondContact O-CE 3.28Å; T227-K258 PolarHBondContact O-NZ 2.86Å
228	E	98.8	Very high	98.2	Very high	64 Å²	64	28.5 Å²	28.5	30%	0.299	16%	0.159	S	C	.	.			trans	-110.4	-14	-176.3	-60.6	-179.9	-114.2	0	0	112.1	R173 P259 F318	R173-E228 HydrophobicContact CB-CB 4.29Å; R173-E228 WeakPolarHBondContact CG-OE1 3.49Å; R173-E228 IonicContact CZ-OE1 3.56Å; R173-E228 IonicContact CZ-OE2 3.37Å; R173-E228 IonicContact NE-OE1 3.6Å; R173-E228 PolarHBondContact NE-OE1 2.85Å; R173-E228 IonicContact NE-OE2 2.64Å; R173-E228 PolarHBondContact NE-OE2 2.9Å; R173-E228 IonicContact NH2-OE1 3.41Å; R173-E228 IonicContact NH2-OE2 3.4Å; R173-E228 PolarHBondContact NH2-OE2 3.45Å; R173-E228 PolarHBondContact O-N 3.34Å; E228-P259 VanDerWaalsContact O-CD 3.27Å; E228-P259 WeakPolarHBondContact O-CD 3.46Å; E228-F318 HydrophobicContact CB-CE1 4.18Å; E228-F318 HydrophobicContact CB-CZ 3.91Å
229	G	98.9	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.5	170.5	0	0	0	0	0	111.1	R173 I174 G175 T227 P259	R173-G229 PolarHBondContact O-N 3.02Å; I174-G229 CarbonylContact C-O 3.59Å; I174-G229 WeakPolarHBondContact CA-O 3.22Å; G175-G229 PolarHBondContact N-O 3.49Å; T227-G229 WeakPolarHBondContact CG2-O 3.41Å; G229-P259 WeakPolarHBondContact CA-O 3.5Å
230	I	98.9	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131	-174.4	-57.4	171.3	0	0	0	110.3	G175 L218 F221 L222 T227 P259 V260 V261 M314	G175-I230 CarbonylContact O-C 3.52Å; G175-I230 VanDerWaalsContact O-CA 3.32Å; G175-I230 WeakPolarHBondContact O-CA 3.45Å; L218-I230 HydrophobicContact CD2-CD1 4.1Å; L218-I230 HydrophobicContact CD2-CG2 3.87Å; F221-I230 HydrophobicContact CB-CD1 3.57Å; F221-I230 HydrophobicContact CB-CG1 3.88Å; F221-I230 HydrophobicContact CD2-CD1 4.36Å; F221-I230 HydrophobicContact CD2-CG1 4.28Å; F221-I230 HydrophobicContact CD2-CG2 3.84Å; F221-I230 HydrophobicContact CE2-CG2 4.36Å; F221-I230 HydrophobicContact CG-CD1 4.44Å; F221-I230 HydrophobicContact CG-CG1 4.41Å; L222-I230 HydrophobicContact CD2-CD1 3.87Å; L222-I230 HydrophobicContact CG-CD1 4.32Å; T227-I230 HydrophobicContact CG2-CG1 4.05Å; I230-P259 PolarHBondContact N-O 3.49Å; I230-V260 HydrophobicContact CB-CG1 4.3Å; I230-V260 HydrophobicContact CB-CG2 4.28Å; I230-V260 HydrophobicContact CG2-CG1 4.37Å; I230-V260 CarbonylContact O-C 3.6Å; I230-V260 VanDerWaalsContact O-CA 3.32Å; I230-V260 WeakPolarHBondContact O-CA 3.47Å; I230-V261 PolarHBondContact O-N 2.83Å; I230-M314 VanDerWaalsContact C-CE 3.49Å; I230-M314 WeakPolarHBondContact O-CE 3.47Å
231	I	98.9	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.6	166.6	-66.4	176.4	0	0	0	109.3	I174 G175 I176 V177 A187 T191 I233 V261 L310 M314	I174-I231 HydrophobicContact CG2-CB 4.36Å; I174-I231 HydrophobicContact CG2-CD1 3.9Å; I174-I231 HydrophobicContact CG2-CG1 3.79Å; G175-I231 PolarHBondContact O-N 3.14Å; I176-I231 WeakPolarHBondContact CA-O 3.27Å; I176-I231 HydrophobicContact CG1-CB 4.28Å; I176-I231 HydrophobicContact CG2-CB 4.44Å; I176-I231 HydrophobicContact CG2-CG2 4.41Å; V177-I231 PolarHBondContact N-O 2.88Å; A187-I231 HydrophobicContact CB-CD1 4.45Å; A187-I231 HydrophobicContact CB-CG2 4.34Å; T191-I231 HydrophobicContact CG2-CD1 3.58Å; I231-I233 HydrophobicContact CG2-CD1 4.14Å; I231-I233 HydrophobicContact CG2-CG1 3.78Å; I231-V261 CarbonylContact C-O 3.52Å; I231-V261 VanDerWaalsContact CA-O 3.31Å; I231-V261 WeakPolarHBondContact CA-O 3.49Å; I231-V261 HydrophobicContact CG1-CB 4.37Å; I231-L310 HydrophobicContact CG2-CD2 4.15Å; I231-M314 HydrophobicContact CD1-CB 4.39Å; I231-M314 HydrophobicContact CG1-CE 3.74Å
232	L	98.9	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124	173.3	-173.8	154.7	0	0	0	109.5	V177 F214 L218 E241 A244 V261 S262 F263 L296	V177-L232 HydrophobicContact CG1-CB 4.36Å; V177-L232 HydrophobicContact CG1-CG 4.27Å; V177-L232 WeakPolarHBondContact O-CA 3.22Å; F214-L232 HydrophobicContact CB-CD1 4.18Å; F214-L232 HydrophobicContact CD1-CD1 3.82Å; F214-L232 HydrophobicContact CD1-CD2 4.18Å; F214-L232 HydrophobicContact CD1-CG 3.68Å; F214-L232 HydrophobicContact CE1-CD1 4.38Å; F214-L232 HydrophobicContact CE1-CD2 3.91Å; F214-L232 HydrophobicContact CE1-CG 3.79Å; F214-L232 HydrophobicContact CG-CD1 4.01Å; F214-L232 HydrophobicContact CG-CG 4.31Å; F214-L232 HydrophobicContact CZ-CD2 4.13Å; F214-L232 HydrophobicContact CZ-CG 4.49Å; L218-L232 HydrophobicContact CD1-CD1 4.48Å; L232-E241 HydrophobicContact CD2-CG 4.49Å; L232-A244 HydrophobicContact CD1-CB 4.01Å; L232-V261 PolarHBondContact N-O 2.64Å; L232-S262 WeakPolarHBondContact O-CA 3.4Å; L232-S262 WeakPolarHBondContact O-CB 3.31Å; L232-S262 PolarHBondContact O-OG 2.86Å; L232-F263 PolarHBondContact O-N 3.43Å; L232-L296 HydrophobicContact CD1-CD2 4.47Å; L232-L296 HydrophobicContact CD2-CD1 4.32Å
233	I	98.9	Very high	98.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	107.2	178.3	-53.9	176.3	0	0	0	109.1	I176 V177 S178 R179 L183 A187 I231 F263 L310	I176-I233 HydrophobicContact CG2-CD1 4.46Å; V177-I233 PolarHBondContact O-N 2.93Å; S178-I233 WeakPolarHBondContact CA-O 3.46Å; S178-I233 WeakPolarHBondContact OG-CB 3.15Å; R179-I233 PolarHBondContact N-O 3.38Å; R179-I233 VanDerWaalsContact N-O 3.08Å; L183-I233 HydrophobicContact CB-CD1 4.36Å; L183-I233 HydrophobicContact CB-CG2 3.77Å; L183-I233 HydrophobicContact CD1-CG2 3.94Å; L183-I233 HydrophobicContact CG-CG2 4.5Å; L183-I233 WeakPolarHBondContact O-CD1 3.47Å; A187-I233 HydrophobicContact CB-CD1 3.76Å; I231-I233 HydrophobicContact CG2-CD1 4.14Å; I231-I233 HydrophobicContact CG2-CG1 3.78Å; I233-F263 HydrophobicContact CG2-CD1 4.5Å; I233-L310 HydrophobicContact CD1-CD1 4.05Å; I233-L310 HydrophobicContact CG1-CD1 4.39Å
234	G	98.6	Very high	98.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	179.9	177.9	0	0	0	0	0	112.7	E241 F263 I264 A265	G234-E241 WeakPolarHBondContact CA-OE1 3.46Å; G234-F263 PolarHBondContact N-O 3.03Å; G234-I264 WeakPolarHBondContact O-CA 3.21Å; G234-A265 PolarHBondContact O-N 3.15Å
235	E	98.5	Very high	98.2	Very high	11 Å²	11	28.7 Å²	28.7	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	179.4	177.2	60.8	-174	-142.4	0	0	109.2	R179 E241 A265 H277 K292	R179-E235 HydrophobicContact CB-CG 4.16Å; R179-E235 IonicContact CZ-OE1 3.98Å; R179-E235 IonicContact NE-OE1 2.59Å; R179-E235 PolarHBondContact NH1-O 3.41Å; R179-E235 VanDerWaalsContact NH2-CG 3.3Å; R179-E235 IonicContact NH2-OE1 3Å; R179-E235 PolarHBondContact NH2-OE1 2.83Å; E235-E241 PolarHBondContact N-OE1 3.09Å; E235-A265 CarbonylContact C-O 3.56Å; E235-A265 WeakPolarHBondContact CA-O 3.27Å; E235-A265 HydrophobicContact CB-CB 3.93Å; E235-H277 VanDerWaalsContact CD-ND1 3.34Å; E235-H277 IonicContact OE1-CG 3.85Å; E235-H277 IonicContact OE1-ND1 2.85Å; E235-H277 PolarHBondContact OE1-ND1 3.33Å; E235-H277 IonicContact OE2-CE1 3.94Å; E235-H277 PolarHBondContact OE2-CE1 3.14Å; E235-H277 IonicContact OE2-ND1 3.99Å; E235-H277 PolarHBondContact OE2-ND1 2.88Å; E235-K292 WeakPolarHBondContact O-CD 3.4Å; E235-K292 WeakPolarHBondContact O-CE 3.29Å
236	I	97.4	Very high	98.2	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	15%	0.154	C	C	.	.	S	Bend	trans	-60	161.6	174.7	55	158.9	0	0	0	113	R179 A265 G266 A269 M275 A280 I282 G287 A289	R179-I236 PolarHBondContact NH1-O 2.62Å; R179-I236 VanDerWaalsContact NH1-O 3.12Å; R179-I236 PolarHBondContact NH2-O 3.36Å; R179-I236 VanDerWaalsContact NH2-O 3.07Å; I236-A265 PolarHBondContact N-O 3.35Å; I236-G266 WeakPolarHBondContact CG2-O 3.01Å; I236-A269 HydrophobicContact CD1-CB 3.65Å; I236-M275 HydrophobicContact CD1-CG 3.85Å; I236-A280 HydrophobicContact CD1-CB 4.39Å; I236-A280 HydrophobicContact CG1-CB 4.08Å; I236-I282 HydrophobicContact CB-CG1 4.08Å; I236-I282 HydrophobicContact CD1-CG1 4.13Å; I236-I282 HydrophobicContact CG2-CD1 4.15Å; I236-I282 HydrophobicContact CG2-CG1 4.1Å; I236-G287 CarbonylContact C-O 3.42Å; I236-G287 VanDerWaalsContact CA-O 3.31Å; I236-G287 WeakPolarHBondContact CA-O 3.46Å; I236-G287 WeakPolarHBondContact CB-O 3.49Å; I236-A289 HydrophobicContact CG2-CB 4.07Å
237	G	95.9	Very high	98.3	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.021	14%	0.135	C	C	.	.	S	Bend	trans	85.6	150.9	176.5	0	0	0	0	0	114.6	R179 G279 I281 G287 K292	R179-G237 PolarHBondContact NH1-O 3.36Å; R179-G237 VanDerWaalsContact NH1-O 3.15Å; G237-G279 WeakPolarHBondContact CA-O 3.49Å; G237-I281 WeakPolarHBondContact CA-O 3.48Å; G237-G287 PolarHBondContact N-O 2.76Å; G237-K292 PolarHBondContact O-NZ 2.96Å
238	G	95.3	Very high	98.3	Very high	56 Å²	56	23.4 Å²	23.4	58%	0.577	14%	0.135	S	C	*	.	S	Bend	trans	62	-167.4	-174.9	0	0	0	0	0	113.6	K292	G238-K292 PolarHBondContact O-NZ 3.46Å
239	N	97.2	Very high	98.3	Very high	94 Å²	94	24.3 Å²	24.3	50%	0.503	14%	0.138	S	C	.	.	S	Bend	trans	-129.5	18.6	179	67.7	-29.8	0	0	0	113.1	E241 E242 N243	N239-E241 VanDerWaalsContact C-N 3.33Å; N239-E241 PolarHBondContact O-N 3.24Å; N239-E242 WeakPolarHBondContact CA-OE2 3.02Å; N239-E242 PolarHBondContact O-N 2.88Å; N239-N243 PolarHBondContact ND2-ND2 2.75Å; N239-N243 PolarHBondContact ND2-OD1 3.03Å; N239-N243 PolarHBondContact O-N 2.84Å; N239-N243 PolarHBondContact O-ND2 3.07Å
240	A	97.9	Very high	98.2	Very high	30 Å²	30	29.8 Å²	29.8	25%	0.248	16%	0.164	C	C	.	.	H	α-helix	trans	-66.2	-37.1	-171	0	0	0	0	0	112.1	F214 A244	F214-A240 HydrophobicContact CD2-CB 3.76Å; F214-A240 HydrophobicContact CE2-CB 4.01Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.44Å
241	E	98.8	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.5	-40.6	176.8	-63.9	82.3	175.3	0	0	111.6	R179 F214 L232 G234 E235 N239 A244 A245 I264 K292 L296	R179-E241 WeakPolarHBondContact CD-OE1 3.15Å; R179-E241 IonicContact CZ-OE1 2.74Å; R179-E241 IonicContact NH1-OE1 3.57Å; R179-E241 PolarHBondContact NH1-OE1 3.45Å; R179-E241 IonicContact NH1-OE2 3.47Å; F214-E241 HydrophobicContact CD2-CG 4.31Å; F214-E241 HydrophobicContact CE2-CG 3.63Å; F214-E241 WeakPolarHBondContact CE2-OE1 3.33Å; F214-E241 HydrophobicContact CZ-CG 4.21Å; L232-E241 HydrophobicContact CD2-CG 4.49Å; G234-E241 WeakPolarHBondContact CA-OE1 3.46Å; E235-E241 PolarHBondContact N-OE1 3.09Å; N239-E241 VanDerWaalsContact C-N 3.33Å; N239-E241 PolarHBondContact O-N 3.24Å; E241-A244 WeakPolarHBondContact O-CB 3.25Å; E241-A244 PolarHBondContact O-N 3.04Å; E241-A245 PolarHBondContact O-N 3.45Å; E241-I264 HydrophobicContact CG-CD1 3.91Å; E241-K292 HydrophobicContact CB-CB 4.13Å; E241-K292 HydrophobicContact CB-CD 4.11Å; E241-K292 HydrophobicContact CB-CG 4.01Å; E241-K292 HydrophobicContact CG-CD 4.1Å; E241-K292 IonicContact OE2-NZ 2.89Å; E241-K292 PolarHBondContact OE2-NZ 3Å; E241-L296 HydrophobicContact CB-CD1 4.46Å
242	E	98.7	Very high	98.2	Very high	47 Å²	47	35.5 Å²	35.5	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-65.8	-42.6	175.9	-61.2	92.6	137.9	0	0	111.3	N239 A244 A245 E246 K292 A295	N239-E242 WeakPolarHBondContact CA-OE2 3.02Å; N239-E242 PolarHBondContact O-N 2.88Å; E242-A244 VanDerWaalsContact C-N 3.29Å; E242-A244 PolarHBondContact O-N 3.44Å; E242-A245 WeakPolarHBondContact O-CB 3.32Å; E242-A245 PolarHBondContact O-N 3.47Å; E242-E246 PolarHBondContact O-N 2.8Å; E242-K292 HydrophobicContact CG-CG 4.41Å; E242-K292 IonicContact OE1-NZ 2.74Å; E242-K292 PolarHBondContact OE1-NZ 3.48Å; E242-K292 WeakPolarHBondContact OE2-CG 3.43Å; E242-K292 IonicContact OE2-NZ 2.96Å; E242-K292 PolarHBondContact OE2-NZ 3.31Å; E242-A295 HydrophobicContact CB-CB 4.41Å; E242-A295 HydrophobicContact CG-CB 4.11Å
243	N	98.6	Very high	97.8	Very high	71 Å²	71	39.7 Å²	39.7	38%	0.38	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-37.1	174.2	-62.3	-25.3	0	0	0	111.4	I215 N239 E246 Y247	I215-N243 HydrophobicContact CD1-CB 4.03Å; N239-N243 PolarHBondContact ND2-ND2 2.75Å; N239-N243 PolarHBondContact ND2-OD1 3.03Å; N239-N243 PolarHBondContact O-N 2.84Å; N239-N243 PolarHBondContact O-ND2 3.07Å; N243-E246 PolarHBondContact O-N 2.85Å; N243-Y247 WeakPolarHBondContact O-CB 3.09Å; N243-Y247 PolarHBondContact O-N 3.17Å
244	A	98.8	Very high	97.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-40	175.2	0	0	0	0	0	111.8	F214 L218 L232 A240 E241 E242 Y247 L248	F214-A244 HydrophobicContact CB-CB 3.71Å; F214-A244 HydrophobicContact CG-CB 4.4Å; L218-A244 HydrophobicContact CD1-CB 3.93Å; L232-A244 HydrophobicContact CD1-CB 4.01Å; A240-A244 WeakPolarHBondContact O-CB 3.49Å; A240-A244 PolarHBondContact O-N 3.44Å; E241-A244 WeakPolarHBondContact O-CB 3.25Å; E241-A244 PolarHBondContact O-N 3.04Å; E242-A244 VanDerWaalsContact C-N 3.29Å; E242-A244 PolarHBondContact O-N 3.44Å; A244-Y247 PolarHBondContact O-N 2.89Å; A244-L248 VanDerWaalsContact O-CG 3.32Å; A244-L248 WeakPolarHBondContact O-CG 3.31Å; A244-L248 PolarHBondContact O-N 2.95Å
245	A	98.8	Very high	97.2	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.017	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-46	174.2	0	0	0	0	0	111.6	E241 E242 Y247 L248 K249 A295 L296 A299	E241-A245 PolarHBondContact O-N 3.45Å; E242-A245 WeakPolarHBondContact O-CB 3.32Å; E242-A245 PolarHBondContact O-N 3.47Å; A245-Y247 VanDerWaalsContact C-N 3.35Å; A245-Y247 PolarHBondContact O-N 3.37Å; A245-L248 PolarHBondContact O-N 2.96Å; A245-K249 WeakPolarHBondContact O-CG 3.31Å; A245-K249 PolarHBondContact O-N 3.44Å; A245-K249 VanDerWaalsContact O-N 3.08Å; A245-A295 HydrophobicContact CB-CB 4.04Å; A245-A295 WeakPolarHBondContact CB-O 3.3Å; A245-L296 HydrophobicContact CB-CD2 3.98Å; A245-L296 HydrophobicContact CB-CG 4.3Å; A245-A299 HydrophobicContact CB-CB 4.02Å; A245-A299 WeakPolarHBondContact O-CB 3.34Å
246	E	98.7	Very high	97	Very high	88 Å²	88	57.3 Å²	57.3	41%	0.411	33%	0.325	S	S	.	.	H	α-helix	trans	-62.6	-42.3	176.4	-175.3	54.5	-147.7	0	0	111.9	E242 N243 L248 K249 Q250	E242-E246 PolarHBondContact O-N 2.8Å; N243-E246 PolarHBondContact O-N 2.85Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.24Å; E246-K249 WeakPolarHBondContact O-CB 3.45Å; E246-K249 PolarHBondContact O-N 3.21Å; E246-Q250 WeakPolarHBondContact O-CG 3.31Å; E246-Q250 PolarHBondContact O-N 3.1Å; E246-Q250 PolarHBondContact OE1-NE2 3Å
247	Y	98.7	Very high	97	Very high	21 Å²	21	58 Å²	58	8%	0.082	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-42.7	175.7	180	-90.8	0	0	0	112.3	I215 L218 E219 L222 N243 A244 A245 K249 Q250 H251	I215-Y247 HydrophobicContact CB-CG 4.43Å; I215-Y247 HydrophobicContact CD1-CG 4.4Å; I215-Y247 HydrophobicContact CG1-CD2 4.41Å; I215-Y247 HydrophobicContact CG1-CG 4.03Å; I215-Y247 HydrophobicContact CG2-CD1 4.24Å; I215-Y247 HydrophobicContact CG2-CD2 3.47Å; I215-Y247 VanDerWaalsContact CG2-CD2 3.47Å; I215-Y247 HydrophobicContact CG2-CE1 4.39Å; I215-Y247 HydrophobicContact CG2-CE2 3.65Å; I215-Y247 HydrophobicContact CG2-CG 3.79Å; L218-Y247 HydrophobicContact CB-CD1 4.2Å; L218-Y247 HydrophobicContact CB-CE1 4Å; L218-Y247 HydrophobicContact CD1-CD1 4.19Å; E219-Y247 PolarHBondContact OE1-OH 2.68Å; E219-Y247 PolarHBondContact OE2-OH 3.41Å; L222-Y247 HydrophobicContact CD1-CE1 3.95Å; N243-Y247 WeakPolarHBondContact O-CB 3.09Å; N243-Y247 PolarHBondContact O-N 3.17Å; A244-Y247 PolarHBondContact O-N 2.89Å; A245-Y247 VanDerWaalsContact C-N 3.35Å; A245-Y247 PolarHBondContact O-N 3.37Å; Y247-K249 PolarHBondContact O-N 3.26Å; Y247-Q250 PolarHBondContact O-N 3.43Å; Y247-Q250 VanDerWaalsContact O-N 3.14Å; Y247-H251 HydrophobicContact CD1-CB 4.38Å; Y247-H251 AromaticContact CD2-CE1 3.61Å; Y247-H251 AromaticContact CD2-ND1 3.36Å; Y247-H251 WeakPolarHBondContact CD2-ND1 3.42Å; Y247-H251 HydrophobicContact CE1-CB 3.9Å; Y247-H251 HydrophobicContact CE2-CB 4.43Å; Y247-H251 AromaticContact CE2-CD2 3.99Å; Y247-H251 AromaticContact CE2-CE1 3.53Å; Y247-H251 AromaticContact CE2-CG 3.69Å; Y247-H251 AromaticContact CE2-ND1 3.37Å; Y247-H251 WeakPolarHBondContact CE2-ND1 3.48Å; Y247-H251 AromaticContact CE2-NE2 3.89Å; Y247-H251 AromaticContact CG-ND1 3.78Å; Y247-H251 AromaticContact CZ-CG 3.65Å; Y247-H251 AromaticContact CZ-ND1 3.76Å; Y247-H251 WeakPolarHBondContact O-CB 2.98Å; Y247-H251 PolarHBondContact O-N 3.45Å; Y247-H251 PolarHBondContact O-ND1 2.97Å
248	L	98.8	Very high	97.1	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-38	177.7	-73.9	170.6	0	0	0	112.6	L218 A244 A245 E246 Q250 H251 N252 V260 A299 V301	L218-L248 HydrophobicContact CD1-CD1 4.23Å; L218-L248 HydrophobicContact CD1-CD2 4.06Å; L218-L248 HydrophobicContact CD1-CG 3.93Å; L218-L248 HydrophobicContact CD2-CD2 4.12Å; A244-L248 VanDerWaalsContact O-CG 3.32Å; A244-L248 WeakPolarHBondContact O-CG 3.31Å; A244-L248 PolarHBondContact O-N 2.95Å; A245-L248 PolarHBondContact O-N 2.96Å; E246-L248 VanDerWaalsContact C-N 3.34Å; E246-L248 PolarHBondContact O-N 3.24Å; L248-Q250 PolarHBondContact O-N 2.8Å; L248-H251 PolarHBondContact O-N 3Å; L248-N252 HydrophobicContact CB-CB 4.46Å; L248-N252 HydrophobicContact CD2-CB 3.69Å; L248-N252 WeakPolarHBondContact O-CA 3.47Å; L248-N252 WeakPolarHBondContact O-CB 3.27Å; L248-N252 PolarHBondContact O-N 2.86Å; L248-V260 HydrophobicContact CD1-CG1 4.24Å; L248-V260 HydrophobicContact CD1-CG2 4.44Å; L248-V260 HydrophobicContact CD2-CG2 4.14Å; L248-A299 HydrophobicContact CB-CB 4.21Å; L248-V301 HydrophobicContact CD1-CG2 3.56Å
249	K	98.4	Very high	97.3	Very high	84 Å²	84	57 Å²	57	37%	0.365	31%	0.311	S	S	.	.	H	α-helix	trans	-59.3	-30.5	173.6	-72.8	175.8	-179.9	173.8	0	113	A245 E246 Y247 T253 S298 A299	A245-K249 WeakPolarHBondContact O-CG 3.31Å; A245-K249 PolarHBondContact O-N 3.44Å; A245-K249 VanDerWaalsContact O-N 3.08Å; E246-K249 WeakPolarHBondContact O-CB 3.45Å; E246-K249 PolarHBondContact O-N 3.21Å; Y247-K249 PolarHBondContact O-N 3.26Å; K249-T253 WeakPolarHBondContact O-CG2 3.23Å; K249-S298 VanDerWaalsContact CE-C 3.46Å; K249-S298 WeakPolarHBondContact CE-O 3.5Å; K249-S298 WeakPolarHBondContact CE-OG 3.17Å; K249-S298 PolarHBondContact NZ-OG 3.2Å; K249-A299 HydrophobicContact CD-CB 4.45Å; K249-A299 HydrophobicContact CG-CB 3.69Å
250	Q	98.2	Very high	97.4	Very high	115 Å²	115	52.8 Å²	52.8	54%	0.537	29%	0.288	S	S	.	.	H	α-helix	trans	-90.3	-36.7	-177.5	-65.7	175.2	16.4	0	0	112.1	E246 Y247 L248	E246-Q250 WeakPolarHBondContact O-CG 3.31Å; E246-Q250 PolarHBondContact O-N 3.1Å; E246-Q250 PolarHBondContact OE1-NE2 3Å; Y247-Q250 PolarHBondContact O-N 3.43Å; Y247-Q250 VanDerWaalsContact O-N 3.14Å; L248-Q250 PolarHBondContact O-N 2.8Å
251	H	98.3	Very high	97.4	Very high	95 Å²	95	51.3 Å²	51.3	44%	0.44	28%	0.277	S	S	.	.	H	α-helix	trans	-115.6	-12.7	-166.1	-57.9	83.2	0	0	0	114.7	L222 Y247 L248	L222-H251 HydrophobicContact CD1-CB 4.16Å; Y247-H251 HydrophobicContact CD1-CB 4.38Å; Y247-H251 AromaticContact CD2-CE1 3.61Å; Y247-H251 AromaticContact CD2-ND1 3.36Å; Y247-H251 WeakPolarHBondContact CD2-ND1 3.42Å; Y247-H251 HydrophobicContact CE1-CB 3.9Å; Y247-H251 HydrophobicContact CE2-CB 4.43Å; Y247-H251 AromaticContact CE2-CD2 3.99Å; Y247-H251 AromaticContact CE2-CE1 3.53Å; Y247-H251 AromaticContact CE2-CG 3.69Å; Y247-H251 AromaticContact CE2-ND1 3.37Å; Y247-H251 WeakPolarHBondContact CE2-ND1 3.48Å; Y247-H251 AromaticContact CE2-NE2 3.89Å; Y247-H251 AromaticContact CG-ND1 3.78Å; Y247-H251 AromaticContact CZ-CG 3.65Å; Y247-H251 AromaticContact CZ-ND1 3.76Å; Y247-H251 WeakPolarHBondContact O-CB 2.98Å; Y247-H251 PolarHBondContact O-N 3.45Å; Y247-H251 PolarHBondContact O-ND1 2.97Å; L248-H251 PolarHBondContact O-N 3Å
252	N	98.3	Very high	97.4	Very high	24 Å²	24	51.3 Å²	51.3	13%	0.128	28%	0.277	C	S	.	.	S	Bend	trans	-120.1	62.9	179.5	-168.1	49.2	0	0	0	110.9	L222 L248 A257 K258	L222-N252 HydrophobicContact CD1-CB 4.17Å; L222-N252 HydrophobicContact CD2-CB 4.02Å; L222-N252 VanDerWaalsContact CD2-OD1 3.25Å; L222-N252 WeakPolarHBondContact CD2-OD1 3.31Å; L248-N252 HydrophobicContact CB-CB 4.46Å; L248-N252 HydrophobicContact CD2-CB 3.69Å; L248-N252 WeakPolarHBondContact O-CA 3.47Å; L248-N252 WeakPolarHBondContact O-CB 3.27Å; L248-N252 PolarHBondContact O-N 2.86Å; N252-A257 WeakPolarHBondContact OD1-CA 3.32Å; N252-K258 PolarHBondContact ND2-O 3.04Å; N252-K258 PolarHBondContact OD1-N 3.23Å
253	T	91.9	Very high	97.5	Very high	89 Å²	89	50.2 Å²	50.2	55%	0.546	27%	0.271	S	S	.	.			trans	-127.6	166.2	-176.9	58.2	0	0	0	0	111.8	K249	K249-T253 WeakPolarHBondContact O-CG2 3.23Å
254	G	92.9	Very high	97.5	Very high	59 Å²	59	47.1 Å²	47.1	61%	0.608	25%	0.254	S	S	*	.	S	Bend	trans	74.9	-167.6	-179.8	0	0	0	0	0	114	N256 A257	G254-N256 VanDerWaalsContact C-N 3.26Å; G254-N256 PolarHBondContact O-N 2.89Å; G254-A257 WeakPolarHBondContact O-CB 3.34Å; G254-A257 PolarHBondContact O-N 3.07Å; G254-A257 VanDerWaalsContact O-N 3.13Å
255	D	92.1	Very high	97.4	Very high	171 Å²	171	48.1 Å²	48.1	91%	0.914	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.1	-170.3	-60.9	-24.1	0	0	0	113.5	A257	D255-A257 VanDerWaalsContact C-N 3.32Å
256	N	93.6	Very high	97.3	Very high	152 Å²	152	49.3 Å²	49.3	81%	0.813	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	4.3	178.9	-63.1	-32.8	0	0	0	113.1	G254 K258	G254-N256 VanDerWaalsContact C-N 3.26Å; G254-N256 PolarHBondContact O-N 2.89Å; N256-K258 PolarHBondContact O-N 3.34Å
257	A	97.6	Very high	97.2	Very high	17 Å²	17	49.3 Å²	49.3	14%	0.14	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-62.4	127.2	179.9	0	0	0	0	0	110.9	N252 G254 D255 R321	N252-A257 WeakPolarHBondContact OD1-CA 3.32Å; G254-A257 WeakPolarHBondContact O-CB 3.34Å; G254-A257 PolarHBondContact O-N 3.07Å; G254-A257 VanDerWaalsContact O-N 3.13Å; D255-A257 VanDerWaalsContact C-N 3.32Å; A257-R321 PolarHBondContact O-NH1 3.09Å
258	K	98.7	Very high	97	Very high	33 Å²	33	54.8 Å²	54.8	14%	0.143	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-80.6	140.3	178.8	-57.8	-175.4	-175.6	-175.6	0	110.1	F221 L222 D224 T227 N252 N256 V260	F221-K258 PolarHBondContact O-NZ 2.91Å; L222-K258 HydrophobicContact CD2-CB 4.45Å; L222-K258 HydrophobicContact CD2-CD 4.31Å; L222-K258 HydrophobicContact CD2-CG 4.44Å; L222-K258 WeakPolarHBondContact O-CE 3.45Å; L222-K258 PolarHBondContact O-NZ 3.34Å; D224-K258 PolarHBondContact O-NZ 3.32Å; T227-K258 VanDerWaalsContact O-CD 3.27Å; T227-K258 WeakPolarHBondContact O-CD 3.37Å; T227-K258 VanDerWaalsContact O-CE 3.26Å; T227-K258 WeakPolarHBondContact O-CE 3.28Å; T227-K258 PolarHBondContact O-NZ 2.86Å; N252-K258 PolarHBondContact ND2-O 3.04Å; N252-K258 PolarHBondContact OD1-N 3.23Å; N256-K258 PolarHBondContact O-N 3.34Å; K258-V260 PolarHBondContact O-N 3.17Å
259	P	98.7	Very high	96.8	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.019	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-59.4	131.6	172.1	24	-34.1	0	0	0	111.2	E228 G229 I230 M314 E317 F318	E228-P259 VanDerWaalsContact O-CD 3.27Å; E228-P259 WeakPolarHBondContact O-CD 3.46Å; G229-P259 WeakPolarHBondContact CA-O 3.5Å; I230-P259 PolarHBondContact N-O 3.49Å; P259-M314 HydrophobicContact CB-SD 4.4Å; P259-M314 HydrophobicContact CG-SD 4.42Å; P259-E317 HydrophobicContact CB-CB 3.79Å; P259-F318 HydrophobicContact CG-CD2 3.99Å; P259-F318 HydrophobicContact CG-CE2 3.69Å
260	V	98.9	Very high	96.3	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.036	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124.6	175.2	-169.9	0	0	0	0	109.1	I230 L248 K258 V301 V302	I230-V260 HydrophobicContact CB-CG1 4.3Å; I230-V260 HydrophobicContact CB-CG2 4.28Å; I230-V260 HydrophobicContact CG2-CG1 4.37Å; I230-V260 CarbonylContact O-C 3.6Å; I230-V260 VanDerWaalsContact O-CA 3.32Å; I230-V260 WeakPolarHBondContact O-CA 3.47Å; L248-V260 HydrophobicContact CD1-CG1 4.24Å; L248-V260 HydrophobicContact CD1-CG2 4.44Å; L248-V260 HydrophobicContact CD2-CG2 4.14Å; K258-V260 PolarHBondContact O-N 3.17Å; V260-V301 HydrophobicContact CB-CG1 4.27Å; V260-V301 HydrophobicContact CB-CG2 4.13Å; V260-V301 HydrophobicContact CG1-CG1 3.93Å; V260-V301 HydrophobicContact CG1-CG2 4.04Å; V260-V302 PolarHBondContact O-N 3.16Å
261	V	98.9	Very high	95.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.6	172.5	173.9	0	0	0	0	108.9	I230 I231 L232 V302 L310 T313 M314 E317	I230-V261 PolarHBondContact O-N 2.83Å; I231-V261 CarbonylContact C-O 3.52Å; I231-V261 VanDerWaalsContact CA-O 3.31Å; I231-V261 WeakPolarHBondContact CA-O 3.49Å; I231-V261 HydrophobicContact CG1-CB 4.37Å; L232-V261 PolarHBondContact N-O 2.64Å; V261-V302 CarbonylContact C-O 2.94Å; V261-V302 VanDerWaalsContact CA-O 3.25Å; V261-V302 WeakPolarHBondContact CA-O 3.33Å; V261-V302 HydrophobicContact CG2-CB 4.39Å; V261-L310 HydrophobicContact CG1-CD2 3.96Å; V261-T313 HydrophobicContact CB-CG2 4.45Å; V261-T313 HydrophobicContact CG1-CG2 3.73Å; V261-T313 HydrophobicContact CG2-CG2 3.82Å; V261-M314 HydrophobicContact CB-CE 3.83Å; V261-M314 HydrophobicContact CG2-CB 4.11Å; V261-M314 HydrophobicContact CG2-CE 3.67Å; V261-M314 HydrophobicContact CG2-SD 4.07Å; V261-E317 HydrophobicContact CG2-CG 4.15Å
262	S	98.9	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.2	178.8	-177.8	0	0	0	0	113.4	L232 L296 V302 V303 S304	L232-S262 WeakPolarHBondContact O-CA 3.4Å; L232-S262 WeakPolarHBondContact O-CB 3.31Å; L232-S262 PolarHBondContact O-OG 2.86Å; S262-L296 WeakPolarHBondContact OG-CD1 3.47Å; S262-V302 PolarHBondContact N-O 3.04Å; S262-V303 CarbonylContact O-C 3.58Å; S262-V303 WeakPolarHBondContact O-CA 3.12Å; S262-S304 PolarHBondContact O-N 2.9Å
263	F	98.9	Very high	94.8	Very high	24 Å²	24	58.7 Å²	58.7	11%	0.105	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.1	163.5	171.5	-100.5	0	0	0	109	L183 L232 I233 G234 A265 S304 P307 L310	L183-F263 HydrophobicContact CD1-CD1 4.25Å; L183-F263 HydrophobicContact CD1-CE1 4.01Å; L183-F263 HydrophobicContact CD2-CE1 4.19Å; L232-F263 PolarHBondContact O-N 3.43Å; I233-F263 HydrophobicContact CG2-CD1 4.5Å; G234-F263 PolarHBondContact N-O 3.03Å; F263-A265 HydrophobicContact CE1-CB 3.82Å; F263-A265 HydrophobicContact CZ-CB 4.48Å; F263-S304 WeakPolarHBondContact CD2-O 3.45Å; F263-P307 HydrophobicContact CD1-CB 4.25Å; F263-P307 HydrophobicContact CD2-CB 4.35Å; F263-P307 HydrophobicContact CE1-CB 3.93Å; F263-P307 HydrophobicContact CE2-CB 4.06Å; F263-P307 HydrophobicContact CE2-CG 4.24Å; F263-P307 HydrophobicContact CG-CB 4.45Å; F263-P307 HydrophobicContact CZ-CB 3.84Å; F263-P307 HydrophobicContact CZ-CG 4.02Å; F263-L310 HydrophobicContact CB-CD1 4.27Å; F263-L310 HydrophobicContact CB-CD2 3.76Å; F263-L310 HydrophobicContact CB-CG 4.29Å
264	I	98.8	Very high	94.8	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	112.2	177.1	-55.9	-57.7	0	0	0	109.3	G234 E241 A289 K292 I293 L296	G234-I264 WeakPolarHBondContact O-CA 3.21Å; E241-I264 HydrophobicContact CG-CD1 3.91Å; I264-A289 HydrophobicContact CG2-CB 3.71Å; I264-K292 HydrophobicContact CD1-CB 4.45Å; I264-K292 HydrophobicContact CG1-CB 4.24Å; I264-K292 HydrophobicContact CG2-CB 4.18Å; I264-K292 HydrophobicContact CG2-CD 4.16Å; I264-I293 HydrophobicContact CB-CD1 4.36Å; I264-I293 HydrophobicContact CB-CG1 3.88Å; I264-I293 HydrophobicContact CG1-CG1 3.83Å; I264-L296 HydrophobicContact CD1-CD1 3.72Å; I264-L296 HydrophobicContact CG1-CD1 4.09Å
265	A	97.9	Very high	94.8	Very high	21 Å²	21	64.1 Å²	64.1	17%	0.174	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	155.9	176.7	0	0	0	0	0	112.4	L183 G234 E235 I236 F263	L183-A265 HydrophobicContact CD1-CB 3.95Å; G234-A265 PolarHBondContact O-N 3.15Å; E235-A265 CarbonylContact C-O 3.56Å; E235-A265 WeakPolarHBondContact CA-O 3.27Å; E235-A265 HydrophobicContact CB-CB 3.93Å; I236-A265 PolarHBondContact N-O 3.35Å; F263-A265 HydrophobicContact CE1-CB 3.82Å; F263-A265 HydrophobicContact CZ-CB 4.48Å
266	G	96.8	Very high	94.8	Very high	27 Å²	27	58.9 Å²	58.9	28%	0.278	34%	0.34	S	S	.	.			trans	91.1	21.8	173.1	0	0	0	0	0	115.5	I236 T268 A269	I236-G266 WeakPolarHBondContact CG2-O 3.01Å; G266-T268 PolarHBondContact O-N 3.15Å; G266-A269 VanDerWaalsContact O-CB 3.28Å; G266-A269 WeakPolarHBondContact O-CB 3.46Å; G266-A269 PolarHBondContact O-N 3.12Å
267	L	95.6	Very high	94.8	Very high	88 Å²	88	53.6 Å²	53.6	46%	0.461	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.4	175	-171.9	63.1	0	0	0	113.4	A289 K290 I293 M305	L267-A289 HydrophobicContact CB-CB 4.5Å; L267-A289 HydrophobicContact CD1-CB 4.32Å; L267-K290 HydrophobicContact CD1-CG 3.73Å; L267-I293 HydrophobicContact CD1-CD1 4.46Å; L267-M305 HydrophobicContact CD2-CE 4.09Å
268	T	94.8	Very high	94.4	Very high	137 Å²	137	53.9 Å²	53.9	84%	0.84	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	10.4	179.3	54.7	0	0	0	0	113.3	G266	G266-T268 PolarHBondContact O-N 3.15Å
269	A	94.6	Very high	94	Very high	17 Å²	17	52.7 Å²	52.7	14%	0.14	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-69.6	133.5	-177.8	0	0	0	0	0	111.2	I236 G266 M275	I236-A269 HydrophobicContact CD1-CB 3.65Å; G266-A269 VanDerWaalsContact O-CB 3.28Å; G266-A269 WeakPolarHBondContact O-CB 3.46Å; G266-A269 PolarHBondContact O-N 3.12Å; A269-M275 HydrophobicContact CB-CG 4.12Å
270	P	88.9	Confident	93.8	Very high	54 Å²	54	52.7 Å²	52.7	35%	0.351	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-69.6	142.2	176.3	28.2	-33.9	0	0	0	111.2	R273 M275	P270-R273 HydrophobicContact CG-CB 4.25Å; P270-R273 HydrophobicContact CG-CG 4.19Å; P270-M275 HydrophobicContact CG-SD 4.4Å
271	P	88.5	Confident	93.5	Very high	103 Å²	103	55.2 Å²	55.2	67%	0.669	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	150.2	175.1	-23.8	33.7	0	0	0	113.4	R273	P271-R273 PolarHBondContact O-N 2.83Å
272	G	85.9	Confident	93.1	Very high	57 Å²	57	56.5 Å²	56.5	59%	0.588	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	5.5	173.3	0	0	0	0	0	115.8	I282	G272-I282 WeakPolarHBondContact CA-O 3.25Å; G272-I282 PolarHBondContact N-O 3.3Å
273	R	89	Confident	92.4	Very high	169 Å²	169	59.3 Å²	59.3	64%	0.638	35%	0.352	S	S	*	.			trans	-111.8	141.9	178	-59.3	-160.2	-170.6	-152.1	3.2	112	P270 P271 M275	P270-R273 HydrophobicContact CG-CB 4.25Å; P270-R273 HydrophobicContact CG-CG 4.19Å; P271-R273 PolarHBondContact O-N 2.83Å; R273-M275 HydrophobicContact CB-SD 4.28Å
274	R	91.4	Very high	91.5	Very high	172 Å²	172	62.2 Å²	62.2	65%	0.649	39%	0.389	S	S	*	.			trans	-81.2	124.7	169.8	-177.8	-179.9	62.3	-174.2	6.3	109.9	G276 H277	R274-G276 PolarHBondContact O-N 3Å; R274-H277 WeakPolarHBondContact CG-O 3.24Å
275	M	91.5	Very high	90.6	Very high	91 Å²	91	65.5 Å²	65.5	45%	0.448	42%	0.424	S	S	.	.			trans	-100.2	71	-177.2	-56.3	-52.5	-62.2	0	0	111.8	I236 A269 P270 R273 H277 A280	I236-M275 HydrophobicContact CD1-CG 3.85Å; A269-M275 HydrophobicContact CB-CG 4.12Å; P270-M275 HydrophobicContact CG-SD 4.4Å; R273-M275 HydrophobicContact CB-SD 4.28Å; M275-H277 VanDerWaalsContact C-N 3.3Å; M275-H277 PolarHBondContact O-N 2.59Å; M275-A280 HydrophobicContact CB-CB 4.08Å; M275-A280 PolarHBondContact N-O 3.4Å
276	G	92.9	Very high	89.9	Confident	60 Å²	60	72.6 Å²	72.6	62%	0.619	45%	0.451	S	S	*	.	S	Bend	trans	73.4	-81.3	-174.6	0	0	0	0	0	111.3	R274	R274-G276 PolarHBondContact O-N 3Å
277	H	92.9	Very high	89.5	Confident	42 Å²	42	71.6 Å²	71.6	19%	0.194	44%	0.441	C	S	.	.	S	Bend	trans	-55	138.6	177.6	-68.8	164	0	0	0	112.3	E235 R274 M275 G279 A280	E235-H277 VanDerWaalsContact CD-ND1 3.34Å; E235-H277 IonicContact OE1-CG 3.85Å; E235-H277 IonicContact OE1-ND1 2.85Å; E235-H277 PolarHBondContact OE1-ND1 3.33Å; E235-H277 IonicContact OE2-CE1 3.94Å; E235-H277 PolarHBondContact OE2-CE1 3.14Å; E235-H277 IonicContact OE2-ND1 3.99Å; E235-H277 PolarHBondContact OE2-ND1 2.88Å; R274-H277 WeakPolarHBondContact CG-O 3.24Å; M275-H277 VanDerWaalsContact C-N 3.3Å; M275-H277 PolarHBondContact O-N 2.59Å; H277-G279 PolarHBondContact O-N 3.14Å; H277-A280 HydrophobicContact CB-CB 3.84Å; H277-A280 PolarHBondContact O-N 3.12Å; H277-A280 VanDerWaalsContact O-N 3.13Å
278	A	90.3	Very high	89.4	Confident	23 Å²	23	68 Å²	68	19%	0.19	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-32.5	179	0	0	0	0	0	113.6	D207	D207-A278 WeakPolarHBondContact OD1-CB 3.48Å
279	G	90.6	Very high	89.5	Confident	7 Å²	7	61.7 Å²	61.7	7%	0.072	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.5	178.8	0	0	0	0	0	114.8	R179 G206 G237 H277 I281	R179-G279 PolarHBondContact NH2-O 2.92Å; G206-G279 WeakPolarHBondContact O-CA 3.38Å; G206-G279 PolarHBondContact O-N 2.97Å; G237-G279 WeakPolarHBondContact CA-O 3.49Å; H277-G279 PolarHBondContact O-N 3.14Å; G279-I281 PolarHBondContact O-N 3.39Å; G279-I281 VanDerWaalsContact O-N 3.08Å
280	A	94.1	Very high	89.6	Confident	4 Å²	4	67.9 Å²	67.9	3%	0.033	41%	0.41	C	S	.	.			trans	-86	74.8	-177.6	0	0	0	0	0	111.7	I236 M275 H277	I236-A280 HydrophobicContact CD1-CB 4.39Å; I236-A280 HydrophobicContact CG1-CB 4.08Å; M275-A280 HydrophobicContact CB-CB 4.08Å; M275-A280 PolarHBondContact N-O 3.4Å; H277-A280 HydrophobicContact CB-CB 3.84Å; H277-A280 PolarHBondContact O-N 3.12Å; H277-A280 VanDerWaalsContact O-N 3.13Å
281	I	92.3	Very high	90	Very high	58 Å²	58	70.6 Å²	70.6	30%	0.297	42%	0.418	S	S	.	.			trans	-144.3	136.9	178.6	-176.5	166.2	0	0	0	111.7	G237 G279	G237-I281 WeakPolarHBondContact CA-O 3.48Å; G279-I281 PolarHBondContact O-N 3.39Å; G279-I281 VanDerWaalsContact O-N 3.08Å
282	I	91.4	Very high	90.5	Very high	27 Å²	27	65.7 Å²	65.7	14%	0.138	39%	0.386	C	S	.	.			trans	-91	114.4	168	-56.1	170.5	0	0	0	107.5	I236 G272	I236-I282 HydrophobicContact CB-CG1 4.08Å; I236-I282 HydrophobicContact CD1-CG1 4.13Å; I236-I282 HydrophobicContact CG2-CD1 4.15Å; I236-I282 HydrophobicContact CG2-CG1 4.1Å; G272-I282 WeakPolarHBondContact CA-O 3.25Å; G272-I282 PolarHBondContact N-O 3.3Å
283	A	83.9	Confident	91.1	Very high	59 Å²	59	63.7 Å²	63.7	49%	0.488	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-129.8	134.9	-175.2	0	0	0	0	0	111.1	G285 K286	A283-G285 PolarHBondContact O-N 2.9Å; A283-K286 PolarHBondContact N-O 2.84Å; A283-K286 VanDerWaalsContact N-O 3.16Å; A283-K286 PolarHBondContact O-N 3.5Å
284	G	78.9	Confident	91.6	Very high	85 Å²	85	58.3 Å²	58.3	88%	0.876	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	33.6	178.1	0	0	0	0	0	114.1	K286	G284-K286 VanDerWaalsContact C-N 3.25Å; G284-K286 PolarHBondContact O-N 3.39Å
285	G	80.4	Confident	91.9	Very high	74 Å²	74	51.1 Å²	51.1	76%	0.763	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	8.1	-177.4	0	0	0	0	0	115.3	A283	A283-G285 PolarHBondContact O-N 2.9Å
286	K	83.4	Confident	92.3	Very high	171 Å²	171	46.8 Å²	46.8	74%	0.743	31%	0.309	S	S	*	.	B	Isolated β-bridge	trans	-114.2	154.2	179.8	-64.4	-177.3	179.3	-179.5	0	111.7	A283 G284	A283-K286 PolarHBondContact N-O 2.84Å; A283-K286 VanDerWaalsContact N-O 3.16Å; A283-K286 PolarHBondContact O-N 3.5Å; G284-K286 VanDerWaalsContact C-N 3.25Å; G284-K286 PolarHBondContact O-N 3.39Å
287	G	88.2	Confident	92.5	Very high	6 Å²	6	48.8 Å²	48.8	6%	0.062	30%	0.303	C	S	.	.			trans	88.1	16.4	176.7	0	0	0	0	0	114.7	I236 G237	I236-G287 CarbonylContact C-O 3.42Å; I236-G287 VanDerWaalsContact CA-O 3.31Å; I236-G287 WeakPolarHBondContact CA-O 3.46Å; I236-G287 WeakPolarHBondContact CB-O 3.49Å; G237-G287 PolarHBondContact N-O 2.76Å
288	G	94.4	Very high	92.8	Very high	11 Å²	11	50.1 Å²	50.1	11%	0.113	32%	0.317	C	S	.	.			trans	-66.7	152.9	173.1	0	0	0	0	0	112.5	E291 K292	G288-E291 WeakPolarHBondContact CA-OE2 3.47Å; G288-K292 WeakPolarHBondContact O-CG 3.36Å
289	A	96.5	Very high	93.2	Very high	5 Å²	5	49.8 Å²	49.8	4%	0.041	31%	0.314	C	S	.	.	H	α-helix	trans	-70.3	-33	179.9	0	0	0	0	0	112.4	I236 I264 L267 E291 K292 I293	I236-A289 HydrophobicContact CG2-CB 4.07Å; I264-A289 HydrophobicContact CG2-CB 3.71Å; L267-A289 HydrophobicContact CB-CB 4.5Å; L267-A289 HydrophobicContact CD1-CB 4.32Å; A289-E291 PolarHBondContact O-N 3.13Å; A289-K292 PolarHBondContact O-N 3.13Å; A289-I293 WeakPolarHBondContact O-CG1 3.29Å; A289-I293 PolarHBondContact O-N 2.83Å
290	K	97.1	Very high	93.5	Very high	148 Å²	148	52.4 Å²	52.4	64%	0.643	34%	0.341	S	S	*	.	H	α-helix	trans	-64.2	-43.4	-175.5	-70.5	-176	178.1	-179.8	0	111.8	L267 K292 I293 A294	L267-K290 HydrophobicContact CD1-CG 3.73Å; K290-K292 VanDerWaalsContact C-N 3.33Å; K290-K292 PolarHBondContact O-N 3.27Å; K290-I293 PolarHBondContact O-N 3.39Å; K290-A294 WeakPolarHBondContact O-CB 3.36Å; K290-A294 PolarHBondContact O-N 3.43Å
291	E	96.9	Very high	93.8	Very high	110 Å²	110	52.4 Å²	52.4	51%	0.514	34%	0.341	S	S	.	.	H	α-helix	trans	-64.7	-40.4	179.4	-62	75.3	-165.6	0	0	110.7	G288 A289 A294 A295	G288-E291 WeakPolarHBondContact CA-OE2 3.47Å; A289-E291 PolarHBondContact O-N 3.13Å; E291-A294 PolarHBondContact O-N 3.01Å; E291-A295 WeakPolarHBondContact O-CB 3.46Å; E291-A295 PolarHBondContact O-N 2.88Å
292	K	98.6	Very high	94.1	Very high	0 Å²	0	52 Å²	52	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-63.5	-45.6	175.3	-65.7	174.7	-175.9	-63.7	0	112.1	E235 G237 G238 E241 E242 I264 G288 A289 K290 A295 L296	E235-K292 WeakPolarHBondContact O-CD 3.4Å; E235-K292 WeakPolarHBondContact O-CE 3.29Å; G237-K292 PolarHBondContact O-NZ 2.96Å; G238-K292 PolarHBondContact O-NZ 3.46Å; E241-K292 HydrophobicContact CB-CB 4.13Å; E241-K292 HydrophobicContact CB-CD 4.11Å; E241-K292 HydrophobicContact CB-CG 4.01Å; E241-K292 HydrophobicContact CG-CD 4.1Å; E241-K292 IonicContact OE2-NZ 2.89Å; E241-K292 PolarHBondContact OE2-NZ 3Å; E242-K292 HydrophobicContact CG-CG 4.41Å; E242-K292 IonicContact OE1-NZ 2.74Å; E242-K292 PolarHBondContact OE1-NZ 3.48Å; E242-K292 WeakPolarHBondContact OE2-CG 3.43Å; E242-K292 IonicContact OE2-NZ 2.96Å; E242-K292 PolarHBondContact OE2-NZ 3.31Å; I264-K292 HydrophobicContact CD1-CB 4.45Å; I264-K292 HydrophobicContact CG1-CB 4.24Å; I264-K292 HydrophobicContact CG2-CB 4.18Å; I264-K292 HydrophobicContact CG2-CD 4.16Å; G288-K292 WeakPolarHBondContact O-CG 3.36Å; A289-K292 PolarHBondContact O-N 3.13Å; K290-K292 VanDerWaalsContact C-N 3.33Å; K290-K292 PolarHBondContact O-N 3.27Å; K292-A295 PolarHBondContact O-N 3.32Å; K292-L296 WeakPolarHBondContact O-CB 3.4Å; K292-L296 WeakPolarHBondContact O-CG 3.47Å; K292-L296 PolarHBondContact O-N 2.9Å
293	I	98.7	Very high	94.4	Very high	16 Å²	16	51.5 Å²	51.5	8%	0.082	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-49.9	176.5	-67.8	167.6	0	0	0	109.9	I264 L267 A289 K290 A295 L296 Q297 V303 M305	I264-I293 HydrophobicContact CB-CD1 4.36Å; I264-I293 HydrophobicContact CB-CG1 3.88Å; I264-I293 HydrophobicContact CG1-CG1 3.83Å; L267-I293 HydrophobicContact CD1-CD1 4.46Å; A289-I293 WeakPolarHBondContact O-CG1 3.29Å; A289-I293 PolarHBondContact O-N 2.83Å; K290-I293 PolarHBondContact O-N 3.39Å; I293-A295 PolarHBondContact O-N 2.76Å; I293-L296 PolarHBondContact O-N 3.19Å; I293-Q297 HydrophobicContact CG2-CG 4.35Å; I293-Q297 WeakPolarHBondContact O-CB 3.47Å; I293-Q297 VanDerWaalsContact O-CG 3.31Å; I293-Q297 WeakPolarHBondContact O-CG 3.49Å; I293-Q297 PolarHBondContact O-N 3.42Å; I293-V303 HydrophobicContact CG1-CG1 4.09Å; I293-V303 HydrophobicContact CG2-CB 4.27Å; I293-V303 HydrophobicContact CG2-CG1 3.99Å; I293-V303 HydrophobicContact CG2-CG2 4.38Å; I293-M305 HydrophobicContact CD1-CE 4.43Å; I293-M305 HydrophobicContact CD1-SD 4.35Å
294	A	98.6	Very high	95.1	Very high	55 Å²	55	49.1 Å²	49.1	46%	0.455	32%	0.319	S	S	.	.	H	α-helix	trans	-62.1	-42.3	179.8	0	0	0	0	0	112.2	K290 E291 Q297 S298	K290-A294 WeakPolarHBondContact O-CB 3.36Å; K290-A294 PolarHBondContact O-N 3.43Å; E291-A294 PolarHBondContact O-N 3.01Å; A294-Q297 PolarHBondContact O-N 2.99Å; A294-S298 WeakPolarHBondContact O-CB 3.27Å; A294-S298 PolarHBondContact O-N 2.95Å
295	A	98.6	Very high	96	Very high	21 Å²	21	50.9 Å²	50.9	17%	0.174	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-50.2	176.4	0	0	0	0	0	111.2	E242 A245 E291 K292 I293 S298 A299	E242-A295 HydrophobicContact CB-CB 4.41Å; E242-A295 HydrophobicContact CG-CB 4.11Å; A245-A295 HydrophobicContact CB-CB 4.04Å; A245-A295 WeakPolarHBondContact CB-O 3.3Å; E291-A295 WeakPolarHBondContact O-CB 3.46Å; E291-A295 PolarHBondContact O-N 2.88Å; K292-A295 PolarHBondContact O-N 3.32Å; I293-A295 PolarHBondContact O-N 2.76Å; A295-S298 PolarHBondContact O-N 3.06Å; A295-S298 PolarHBondContact O-OG 3.05Å; A295-A299 PolarHBondContact O-N 2.98Å
296	L	98.8	Very high	96.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-44.2	178.9	-73.6	166.5	0	0	0	112.2	L232 E241 A245 S262 I264 K292 I293 S298 A299 G300 V301 V303	L232-L296 HydrophobicContact CD1-CD2 4.47Å; L232-L296 HydrophobicContact CD2-CD1 4.32Å; E241-L296 HydrophobicContact CB-CD1 4.46Å; A245-L296 HydrophobicContact CB-CD2 3.98Å; A245-L296 HydrophobicContact CB-CG 4.3Å; S262-L296 WeakPolarHBondContact OG-CD1 3.47Å; I264-L296 HydrophobicContact CD1-CD1 3.72Å; I264-L296 HydrophobicContact CG1-CD1 4.09Å; K292-L296 WeakPolarHBondContact O-CB 3.4Å; K292-L296 WeakPolarHBondContact O-CG 3.47Å; K292-L296 PolarHBondContact O-N 2.9Å; I293-L296 PolarHBondContact O-N 3.19Å; L296-S298 VanDerWaalsContact C-N 3.28Å; L296-S298 PolarHBondContact O-N 3.28Å; L296-A299 CarbonylContact O-C 3.59Å; L296-A299 WeakPolarHBondContact O-CA 3.16Å; L296-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 PolarHBondContact O-N 3.39Å; L296-G300 PolarHBondContact O-N 2.62Å; L296-V301 HydrophobicContact CB-CB 3.99Å; L296-V301 HydrophobicContact CB-CG1 4.3Å; L296-V301 HydrophobicContact CB-CG2 4.25Å; L296-V301 HydrophobicContact CD2-CG2 4Å; L296-V301 VanDerWaalsContact O-CB 3.24Å; L296-V301 WeakPolarHBondContact O-CB 3.36Å; L296-V301 WeakPolarHBondContact O-CG2 3.41Å; L296-V301 PolarHBondContact O-N 3.33Å; L296-V301 VanDerWaalsContact O-N 3.11Å; L296-V303 HydrophobicContact CB-CG2 4Å
297	Q	98.7	Very high	97.5	Very high	102 Å²	102	43.8 Å²	43.8	48%	0.477	27%	0.265	S	S	.	.	H	α-helix	trans	-59.3	-40.5	175.5	-74.5	175.3	-35	0	0	111.8	I293 A294 A299 G300 V303	I293-Q297 HydrophobicContact CG2-CG 4.35Å; I293-Q297 WeakPolarHBondContact O-CB 3.47Å; I293-Q297 VanDerWaalsContact O-CG 3.31Å; I293-Q297 WeakPolarHBondContact O-CG 3.49Å; I293-Q297 PolarHBondContact O-N 3.42Å; A294-Q297 PolarHBondContact O-N 2.99Å; Q297-A299 PolarHBondContact O-N 3.38Å; Q297-A299 VanDerWaalsContact O-N 3.17Å; Q297-G300 PolarHBondContact O-N 2.99Å; Q297-V303 HydrophobicContact CG-CB 4.21Å; Q297-V303 HydrophobicContact CG-CG2 3.72Å
298	S	98.3	Very high	98	Very high	70 Å²	70	46.2 Å²	46.2	49%	0.49	28%	0.284	S	S	.	.	H	α-helix	trans	-64.7	-17.7	175.7	80.7	0	0	0	0	113.6	K249 A294 A295 L296	K249-S298 VanDerWaalsContact CE-C 3.46Å; K249-S298 WeakPolarHBondContact CE-O 3.5Å; K249-S298 WeakPolarHBondContact CE-OG 3.17Å; K249-S298 PolarHBondContact NZ-OG 3.2Å; A294-S298 WeakPolarHBondContact O-CB 3.27Å; A294-S298 PolarHBondContact O-N 2.95Å; A295-S298 PolarHBondContact O-N 3.06Å; A295-S298 PolarHBondContact O-OG 3.05Å; L296-S298 VanDerWaalsContact C-N 3.28Å; L296-S298 PolarHBondContact O-N 3.28Å
299	A	98.4	Very high	98.2	Very high	17 Å²	17	50 Å²	50	14%	0.14	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	8.6	174.1	0	0	0	0	0	113.4	A245 L248 K249 A295 L296 Q297 V301	A245-A299 HydrophobicContact CB-CB 4.02Å; A245-A299 WeakPolarHBondContact O-CB 3.34Å; L248-A299 HydrophobicContact CB-CB 4.21Å; K249-A299 HydrophobicContact CD-CB 4.45Å; K249-A299 HydrophobicContact CG-CB 3.69Å; A295-A299 PolarHBondContact O-N 2.98Å; L296-A299 CarbonylContact O-C 3.59Å; L296-A299 WeakPolarHBondContact O-CA 3.16Å; L296-A299 WeakPolarHBondContact O-CB 3.44Å; L296-A299 PolarHBondContact O-N 3.39Å; Q297-A299 PolarHBondContact O-N 3.38Å; Q297-A299 VanDerWaalsContact O-N 3.17Å; A299-V301 VanDerWaalsContact C-N 3.31Å; A299-V301 HydrophobicContact CB-CG2 4.4Å
300	G	98.1	Very high	98.3	Very high	61 Å²	61	49.8 Å²	49.8	63%	0.629	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	11	-177.9	0	0	0	0	0	114.3	L296 Q297	L296-G300 PolarHBondContact O-N 2.62Å; Q297-G300 PolarHBondContact O-N 2.99Å
301	V	98.8	Very high	98.4	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.03	27%	0.266	C	S	.	.			trans	-76	131.9	175.4	-178.8	0	0	0	0	109.9	L248 V260 L296 A299 V303	L248-V301 HydrophobicContact CD1-CG2 3.56Å; V260-V301 HydrophobicContact CB-CG1 4.27Å; V260-V301 HydrophobicContact CB-CG2 4.13Å; V260-V301 HydrophobicContact CG1-CG1 3.93Å; V260-V301 HydrophobicContact CG1-CG2 4.04Å; L296-V301 HydrophobicContact CB-CB 3.99Å; L296-V301 HydrophobicContact CB-CG1 4.3Å; L296-V301 HydrophobicContact CB-CG2 4.25Å; L296-V301 HydrophobicContact CD2-CG2 4Å; L296-V301 VanDerWaalsContact O-CB 3.24Å; L296-V301 WeakPolarHBondContact O-CB 3.36Å; L296-V301 WeakPolarHBondContact O-CG2 3.41Å; L296-V301 PolarHBondContact O-N 3.33Å; L296-V301 VanDerWaalsContact O-N 3.11Å; A299-V301 VanDerWaalsContact C-N 3.31Å; A299-V301 HydrophobicContact CB-CG2 4.4Å; V301-V303 HydrophobicContact CG1-CG2 4.29Å; V301-V303 PolarHBondContact O-N 2.87Å
302	V	98.8	Very high	98.5	Very high	49 Å²	49	39 Å²	39	30%	0.297	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	101.4	174.4	-176.6	0	0	0	0	109.1	V260 V261 S262 T313 E317	V260-V302 PolarHBondContact O-N 3.16Å; V261-V302 CarbonylContact C-O 2.94Å; V261-V302 VanDerWaalsContact CA-O 3.25Å; V261-V302 WeakPolarHBondContact CA-O 3.33Å; V261-V302 HydrophobicContact CG2-CB 4.39Å; S262-V302 PolarHBondContact N-O 3.04Å; V302-T313 HydrophobicContact CB-CG2 4.39Å; V302-T313 HydrophobicContact CG1-CG2 3.57Å; V302-E317 HydrophobicContact CB-CG 4.42Å; V302-E317 HydrophobicContact CG2-CG 4.09Å
303	V	98.8	Very high	98.5	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.097	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.3	-179	-174.4	0	0	0	0	110.3	S262 I293 L296 Q297 V301	S262-V303 CarbonylContact O-C 3.58Å; S262-V303 WeakPolarHBondContact O-CA 3.12Å; I293-V303 HydrophobicContact CG1-CG1 4.09Å; I293-V303 HydrophobicContact CG2-CB 4.27Å; I293-V303 HydrophobicContact CG2-CG1 3.99Å; I293-V303 HydrophobicContact CG2-CG2 4.38Å; L296-V303 HydrophobicContact CB-CG2 4Å; Q297-V303 HydrophobicContact CG-CB 4.21Å; Q297-V303 HydrophobicContact CG-CG2 3.72Å; V301-V303 HydrophobicContact CG1-CG2 4.29Å; V301-V303 PolarHBondContact O-N 2.87Å
304	S	98.6	Very high	98.5	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.07	26%	0.256	C	S	.	.			trans	-74.1	131.6	168.1	-178.1	0	0	0	0	110	S262 F263 S306	S262-S304 PolarHBondContact O-N 2.9Å; F263-S304 WeakPolarHBondContact CD2-O 3.45Å; S304-S306 VanDerWaalsContact C-N 3.32Å; S304-S306 PolarHBondContact OG-N 3.45Å; S304-S306 PolarHBondContact OG-O 2.95Å
305	M	98.1	Very high	98.5	Very high	122 Å²	122	40 Å²	40	60%	0.601	25%	0.248	S	C	*	.	S	Bend	trans	-83.9	-10	174.2	-62	-58	-71.1	0	0	112.9	L267 I293	L267-M305 HydrophobicContact CD2-CE 4.09Å; I293-M305 HydrophobicContact CD1-CE 4.43Å; I293-M305 HydrophobicContact CD1-SD 4.35Å
306	S	98.1	Very high	98.5	Very high	47 Å²	47	44.5 Å²	44.5	33%	0.329	26%	0.264	S	S	.	.	S	Bend	trans	-121.6	131.4	176.8	177	0	0	0	0	110.5	S304 A308 Q309	S304-S306 VanDerWaalsContact C-N 3.32Å; S304-S306 PolarHBondContact OG-N 3.45Å; S304-S306 PolarHBondContact OG-O 2.95Å; S306-A308 PolarHBondContact O-N 3.43Å; S306-A308 PolarHBondContact OG-N 3.3Å; S306-Q309 PolarHBondContact O-N 3.39Å
307	P	97.3	Very high	98.5	Very high	49 Å²	49	45.2 Å²	45.2	32%	0.318	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-64.3	-19.7	175.7	28	-33.5	0	0	0	112.2	L183 Q190 F263 Q309	L183-P307 HydrophobicContact CD2-CB 4.08Å; Q190-P307 PolarHBondContact NE2-O 3.14Å; F263-P307 HydrophobicContact CD1-CB 4.25Å; F263-P307 HydrophobicContact CD2-CB 4.35Å; F263-P307 HydrophobicContact CE1-CB 3.93Å; F263-P307 HydrophobicContact CE2-CB 4.06Å; F263-P307 HydrophobicContact CE2-CG 4.24Å; F263-P307 HydrophobicContact CG-CB 4.45Å; F263-P307 HydrophobicContact CZ-CB 3.84Å; F263-P307 HydrophobicContact CZ-CG 4.02Å; P307-Q309 VanDerWaalsContact C-N 3.26Å; P307-Q309 PolarHBondContact O-N 3.39Å
308	A	98.3	Very high	98.5	Very high	56 Å²	56	40.3 Å²	40.3	46%	0.463	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-81.4	2.9	180	0	0	0	0	0	114.4	Q190 S306	Q190-A308 PolarHBondContact OE1-O 3.05Å; S306-A308 PolarHBondContact O-N 3.43Å; S306-A308 PolarHBondContact OG-N 3.3Å
309	Q	98.6	Very high	98.5	Very high	91 Å²	91	42.6 Å²	42.6	43%	0.425	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-122.8	10.4	-174.5	-62.5	-63.3	-48.4	0	0	113.2	S306 P307 G311 S312 T313	S306-Q309 PolarHBondContact O-N 3.39Å; P307-Q309 VanDerWaalsContact C-N 3.26Å; P307-Q309 PolarHBondContact O-N 3.39Å; Q309-G311 PolarHBondContact O-N 3.24Å; Q309-S312 WeakPolarHBondContact CA-OG 3.41Å; Q309-S312 PolarHBondContact O-OG 3.2Å; Q309-S312 VanDerWaalsContact O-OG 3.12Å; Q309-S312 PolarHBondContact OE1-OG 3.18Å; Q309-T313 WeakPolarHBondContact O-CB 3.4Å; Q309-T313 PolarHBondContact O-N 3.08Å; Q309-T313 PolarHBondContact O-OG1 3.45Å
310	L	98.8	Very high	98.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-46.6	179.7	-76.1	170	0	0	0	112.1	A187 I231 I233 V261 F263 M314	A187-L310 HydrophobicContact CB-CB 4.46Å; A187-L310 HydrophobicContact CB-CD1 3.83Å; I231-L310 HydrophobicContact CG2-CD2 4.15Å; I233-L310 HydrophobicContact CD1-CD1 4.05Å; I233-L310 HydrophobicContact CG1-CD1 4.39Å; V261-L310 HydrophobicContact CG1-CD2 3.96Å; F263-L310 HydrophobicContact CB-CD1 4.27Å; F263-L310 HydrophobicContact CB-CD2 3.76Å; F263-L310 HydrophobicContact CB-CG 4.29Å; L310-M314 WeakPolarHBondContact O-CB 3.41Å; L310-M314 PolarHBondContact O-N 3.13Å
311	G	98.6	Very high	98.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-45.7	-179.6	0	0	0	0	0	113.1	Q309 M314 F315	Q309-G311 PolarHBondContact O-N 3.24Å; G311-M314 PolarHBondContact O-N 2.92Å; G311-F315 WeakPolarHBondContact O-CB 3.49Å; G311-F315 PolarHBondContact O-N 3.46Å
312	S	98.7	Very high	98.4	Very high	33 Å²	33	60.2 Å²	60.2	23%	0.231	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-37.6	178.7	60.3	0	0	0	0	112.2	Q309 K316	Q309-S312 WeakPolarHBondContact CA-OG 3.41Å; Q309-S312 PolarHBondContact O-OG 3.2Å; Q309-S312 VanDerWaalsContact O-OG 3.12Å; Q309-S312 PolarHBondContact OE1-OG 3.18Å; S312-K316 WeakPolarHBondContact O-CG 3.47Å; S312-K316 PolarHBondContact O-N 2.97Å; S312-K316 VanDerWaalsContact O-N 3.09Å
313	T	98.9	Very high	98.2	Very high	24 Å²	24	60.5 Å²	60.5	15%	0.147	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-45.5	173.8	-65.8	0	0	0	0	111.1	V261 V302 Q309 F315 K316 E317	V261-T313 HydrophobicContact CB-CG2 4.45Å; V261-T313 HydrophobicContact CG1-CG2 3.73Å; V261-T313 HydrophobicContact CG2-CG2 3.82Å; V302-T313 HydrophobicContact CB-CG2 4.39Å; V302-T313 HydrophobicContact CG1-CG2 3.57Å; Q309-T313 WeakPolarHBondContact O-CB 3.4Å; Q309-T313 PolarHBondContact O-N 3.08Å; Q309-T313 PolarHBondContact O-OG1 3.45Å; T313-F315 PolarHBondContact O-N 2.91Å; T313-K316 PolarHBondContact O-N 3.32Å; T313-E317 PolarHBondContact O-N 3.02Å; T313-E317 VanDerWaalsContact O-N 3.16Å
314	M	98.8	Very high	98	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.6	-42.1	176.8	-178.6	55.4	79.7	0	0	112.2	I174 L196 I230 I231 P259 V261 L310 G311 K316 E317 F318	I174-M314 HydrophobicContact CD1-CG 3.65Å; I174-M314 HydrophobicContact CD1-SD 4.09Å; I174-M314 HydrophobicContact CG1-CG 4.28Å; I174-M314 HydrophobicContact CG2-CE 4.44Å; L196-M314 HydrophobicContact CD1-CB 4.33Å; L196-M314 HydrophobicContact CD1-CG 3.87Å; I230-M314 VanDerWaalsContact C-CE 3.49Å; I230-M314 WeakPolarHBondContact O-CE 3.47Å; I231-M314 HydrophobicContact CD1-CB 4.39Å; I231-M314 HydrophobicContact CG1-CE 3.74Å; P259-M314 HydrophobicContact CB-SD 4.4Å; P259-M314 HydrophobicContact CG-SD 4.42Å; V261-M314 HydrophobicContact CB-CE 3.83Å; V261-M314 HydrophobicContact CG2-CB 4.11Å; V261-M314 HydrophobicContact CG2-CE 3.67Å; V261-M314 HydrophobicContact CG2-SD 4.07Å; L310-M314 WeakPolarHBondContact O-CB 3.41Å; L310-M314 PolarHBondContact O-N 3.13Å; G311-M314 PolarHBondContact O-N 2.92Å; M314-K316 VanDerWaalsContact C-N 3.32Å; M314-K316 PolarHBondContact O-N 3.16Å; M314-E317 PolarHBondContact O-N 2.91Å; M314-E317 VanDerWaalsContact O-N 3.1Å; M314-F318 HydrophobicContact CG-CD2 4.26Å; M314-F318 HydrophobicContact CG-CE2 4.19Å; M314-F318 PolarHBondContact O-N 3.21Å; M314-F318 HydrophobicContact SD-CD2 3.78Å; M314-F318 HydrophobicContact SD-CE2 3.55Å; M314-F318 VanDerWaalsContact SD-CE2 3.55Å
315	F	98.8	Very high	98	Very high	68 Å²	68	68.5 Å²	68.5	30%	0.298	34%	0.339	S	S	.	.	H	α-helix	trans	-56.8	-44.9	175.9	-174.3	-86.5	0	0	0	112.2	V194 L196 G311 T313 E317 F318 E319 L324	V194-F315 HydrophobicContact CB-CB 4.42Å; V194-F315 HydrophobicContact CB-CD2 3.86Å; V194-F315 HydrophobicContact CB-CG 4.4Å; V194-F315 HydrophobicContact CG2-CB 4.24Å; V194-F315 HydrophobicContact CG2-CD2 4.15Å; L196-F315 HydrophobicContact CD1-CB 4.26Å; L196-F315 HydrophobicContact CG-CD2 4.47Å; G311-F315 WeakPolarHBondContact O-CB 3.49Å; G311-F315 PolarHBondContact O-N 3.46Å; T313-F315 PolarHBondContact O-N 2.91Å; F315-E317 VanDerWaalsContact C-N 3.31Å; F315-E317 PolarHBondContact O-N 3.11Å; F315-F318 WeakPolarHBondContact O-CB 3.24Å; F315-F318 PolarHBondContact O-N 3.2Å; F315-F318 VanDerWaalsContact O-N 3.17Å; F315-E319 PolarHBondContact O-N 3.39Å; F315-L324 HydrophobicContact CD1-CD1 4.26Å; F315-L324 HydrophobicContact CD2-CD1 4.43Å; F315-L324 HydrophobicContact CD2-CD2 4.03Å; F315-L324 HydrophobicContact CE1-CD1 3.62Å; F315-L324 HydrophobicContact CE2-CD1 3.83Å; F315-L324 HydrophobicContact CE2-CD2 3.76Å; F315-L324 HydrophobicContact CE2-CG 4.47Å; F315-L324 HydrophobicContact CZ-CD1 3.39Å; F315-L324 HydrophobicContact CZ-CD2 4.21Å; F315-L324 HydrophobicContact CZ-CG 4.45Å
316	K	98.8	Very high	98	Very high	114 Å²	114	65.7 Å²	65.7	50%	0.496	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-36.2	175.6	-72.9	173.4	-178.8	178.8	0	112.9	S312 T313 M314 F318 E319 K320	S312-K316 WeakPolarHBondContact O-CG 3.47Å; S312-K316 PolarHBondContact O-N 2.97Å; S312-K316 VanDerWaalsContact O-N 3.09Å; T313-K316 PolarHBondContact O-N 3.32Å; M314-K316 VanDerWaalsContact C-N 3.32Å; M314-K316 PolarHBondContact O-N 3.16Å; K316-F318 VanDerWaalsContact C-N 3.34Å; K316-E319 PolarHBondContact O-N 3.42Å; K316-K320 VanDerWaalsContact O-CG 3.27Å; K316-K320 WeakPolarHBondContact O-CG 3.49Å; K316-K320 PolarHBondContact O-N 3.05Å
317	E	98.7	Very high	98	Very high	15 Å²	15	66.7 Å²	66.7	7%	0.07	33%	0.325	C	S	.	.	H	α-helix	trans	-67.6	-34.7	175.4	-68.8	-53.9	121.9	0	0	112.4	P259 V261 V302 T313 M314 F315 K320 R321	P259-E317 HydrophobicContact CB-CB 3.79Å; V261-E317 HydrophobicContact CG2-CG 4.15Å; V302-E317 HydrophobicContact CB-CG 4.42Å; V302-E317 HydrophobicContact CG2-CG 4.09Å; T313-E317 PolarHBondContact O-N 3.02Å; T313-E317 VanDerWaalsContact O-N 3.16Å; M314-E317 PolarHBondContact O-N 2.91Å; M314-E317 VanDerWaalsContact O-N 3.1Å; F315-E317 VanDerWaalsContact C-N 3.31Å; F315-E317 PolarHBondContact O-N 3.11Å; E317-K320 IonicContact OE1-NZ 3.31Å; E317-K320 PolarHBondContact OE1-NZ 2.99Å; E317-R321 WeakPolarHBondContact O-CD 3.47Å; E317-R321 VanDerWaalsContact O-CG 3.3Å; E317-R321 WeakPolarHBondContact O-CG 3.48Å; E317-R321 PolarHBondContact O-N 3.46Å
318	F	98.7	Very high	98	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.5	-43.2	172	-87.4	-127.2	0	0	0	111.6	R173 I174 L196 E228 P259 M314 F315 K316 R321 K322 L323 L324	R173-F318 HydrophobicContact CB-CE1 4.37Å; I174-F318 HydrophobicContact CD1-CE1 4.32Å; I174-F318 HydrophobicContact CD1-CE2 3.64Å; I174-F318 HydrophobicContact CD1-CZ 3.47Å; I174-F318 VanDerWaalsContact CD1-CZ 3.47Å; L196-F318 HydrophobicContact CD2-CD1 3.76Å; L196-F318 HydrophobicContact CD2-CE1 4.08Å; L196-F318 HydrophobicContact CD2-CG 4.18Å; E228-F318 HydrophobicContact CB-CE1 4.18Å; E228-F318 HydrophobicContact CB-CZ 3.91Å; P259-F318 HydrophobicContact CG-CD2 3.99Å; P259-F318 HydrophobicContact CG-CE2 3.69Å; M314-F318 HydrophobicContact CG-CD2 4.26Å; M314-F318 HydrophobicContact CG-CE2 4.19Å; M314-F318 PolarHBondContact O-N 3.21Å; M314-F318 HydrophobicContact SD-CD2 3.78Å; M314-F318 HydrophobicContact SD-CE2 3.55Å; M314-F318 VanDerWaalsContact SD-CE2 3.55Å; F315-F318 WeakPolarHBondContact O-CB 3.24Å; F315-F318 PolarHBondContact O-N 3.2Å; F315-F318 VanDerWaalsContact O-N 3.17Å; K316-F318 VanDerWaalsContact C-N 3.34Å; F318-R321 CarbonylContact O-C 3.57Å; F318-R321 PolarHBondContact O-N 3.34Å; F318-K322 PolarHBondContact O-N 3.32Å; F318-K322 VanDerWaalsContact O-N 3.09Å; F318-L323 HydrophobicContact CB-CB 4.13Å; F318-L323 HydrophobicContact CD1-CB 3.68Å; F318-L323 HydrophobicContact CD1-CD1 4.43Å; F318-L323 HydrophobicContact CE1-CB 4.32Å; F318-L323 HydrophobicContact CG-CB 4.04Å; F318-L323 HydrophobicContact CG-CD1 4.43Å; F318-L323 PolarHBondContact O-N 3.38Å; F318-L324 HydrophobicContact CB-CD2 3.75Å; F318-L324 HydrophobicContact CB-CG 4.04Å; F318-L324 HydrophobicContact CD1-CD2 4.42Å
319	E	98.4	Very high	98	Very high	117 Å²	117	68.5 Å²	68.5	55%	0.547	32%	0.317	S	S	.	.	H	α-helix	trans	-58.9	-49.8	177.1	-174	178.1	-129.5	0	0	111.8	F315 K316 R321 K322 L324	F315-E319 PolarHBondContact O-N 3.39Å; K316-E319 PolarHBondContact O-N 3.42Å; E319-R321 PolarHBondContact O-N 3.17Å; E319-R321 VanDerWaalsContact O-N 3.12Å; E319-K322 PolarHBondContact O-N 2.83Å; E319-L324 HydrophobicContact CB-CD1 3.78Å; E319-L324 HydrophobicContact CG-CD1 4.28Å
320	K	98.1	Very high	98	Very high	149 Å²	149	67 Å²	67	65%	0.648	31%	0.31	S	S	*	.	H	α-helix	trans	-55.9	-31.3	177.2	-73.8	171.4	-173.2	174.1	0	113.1	K316 E317	K316-K320 VanDerWaalsContact O-CG 3.27Å; K316-K320 WeakPolarHBondContact O-CG 3.49Å; K316-K320 PolarHBondContact O-N 3.05Å; E317-K320 IonicContact OE1-NZ 3.31Å; E317-K320 PolarHBondContact OE1-NZ 2.99Å
321	R	97.2	Very high	97.9	Very high	108 Å²	108	71.8 Å²	71.8	41%	0.408	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.9	-177.3	-64.9	172.4	-177.3	-113.1	5.5	113.2	A257 E317 F318 E319 L323	A257-R321 PolarHBondContact O-NH1 3.09Å; E317-R321 WeakPolarHBondContact O-CD 3.47Å; E317-R321 VanDerWaalsContact O-CG 3.3Å; E317-R321 WeakPolarHBondContact O-CG 3.48Å; E317-R321 PolarHBondContact O-N 3.46Å; F318-R321 CarbonylContact O-C 3.57Å; F318-R321 PolarHBondContact O-N 3.34Å; E319-R321 PolarHBondContact O-N 3.17Å; E319-R321 VanDerWaalsContact O-N 3.12Å; R321-L323 VanDerWaalsContact C-N 3.27Å; R321-L323 HydrophobicContact CB-CD1 3.83Å; R321-L323 HydrophobicContact CB-CG 3.82Å; R321-L323 PolarHBondContact O-N 2.93Å
322	K	97.1	Very high	97.8	Very high	196 Å²	196	77.3 Å²	77.3	85%	0.852	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	42.5	-176.5	-55.7	-178.9	-179.3	179.8	0	112.6	F318 E319	F318-K322 PolarHBondContact O-N 3.32Å; F318-K322 VanDerWaalsContact O-N 3.09Å; E319-K322 PolarHBondContact O-N 2.83Å
323	L	95.6	Very high	97.8	Very high	55 Å²	55	81 Å²	81	29%	0.288	37%	0.368	S	S	.	.			trans	-99.2	1.3	179.2	-64.8	175.8	0	0	0	113.2	R173 F318 R321	R173-L323 PolarHBondContact NH1-O 3.17Å; R173-L323 PolarHBondContact NH2-O 3.21Å; F318-L323 HydrophobicContact CB-CB 4.13Å; F318-L323 HydrophobicContact CD1-CB 3.68Å; F318-L323 HydrophobicContact CD1-CD1 4.43Å; F318-L323 HydrophobicContact CE1-CB 4.32Å; F318-L323 HydrophobicContact CG-CB 4.04Å; F318-L323 HydrophobicContact CG-CD1 4.43Å; F318-L323 PolarHBondContact O-N 3.38Å; R321-L323 VanDerWaalsContact C-N 3.27Å; R321-L323 HydrophobicContact CB-CD1 3.83Å; R321-L323 HydrophobicContact CB-CG 3.82Å; R321-L323 PolarHBondContact O-N 2.93Å
324	L	94.2	Very high	97.7	Very high	126 Å²	126	86.2 Å²	86.2	66%	0.66	39%	0.388	S	S	*	.			trans	-85.9	0	180	-65.4	177.8	0	0	0	112.8	L196 F315 F318 E319	L196-L324 HydrophobicContact CD2-CD2 4.07Å; F315-L324 HydrophobicContact CD1-CD1 4.26Å; F315-L324 HydrophobicContact CD2-CD1 4.43Å; F315-L324 HydrophobicContact CD2-CD2 4.03Å; F315-L324 HydrophobicContact CE1-CD1 3.62Å; F315-L324 HydrophobicContact CE2-CD1 3.83Å; F315-L324 HydrophobicContact CE2-CD2 3.76Å; F315-L324 HydrophobicContact CE2-CG 4.47Å; F315-L324 HydrophobicContact CZ-CD1 3.39Å; F315-L324 HydrophobicContact CZ-CD2 4.21Å; F315-L324 HydrophobicContact CZ-CG 4.45Å; F318-L324 HydrophobicContact CB-CD2 3.75Å; F318-L324 HydrophobicContact CB-CG 4.04Å; F318-L324 HydrophobicContact CD1-CD2 4.42Å; E319-L324 HydrophobicContact CB-CD1 3.78Å; E319-L324 HydrophobicContact CG-CD1 4.28Å

Retrieved 324 of 324 residues in 420.3 ms (Link to these results)

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