A0A3Q0KMY1_SCHMA Loading...

Histone deacetylase,putative

AlphaFold DB , UniProt , Accession A0A3Q0KMY1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,163 aa.

						>A0A3Q0KMY1_SCHMA|A0A3Q0KMY1
MSGNTSDQSFPGSARRKNRNPLSDKDIPVIFSAFDNSRHDYFDKQSSHDKGTAFIYDERMLLHKNIWFPNFLECPERFSATIDKCTTYGLLSRCLIINPEPATDDFLTLYHQTEYIEQIKQTTTMEDNELKQLSATLDSVYFNKHTDLSARLSVGSWIQAVDLIHHGDVRNAFCLVRPPGHHALTNEACGFCIYNNVAIAANYAIEKLNYNRILIVDWDVHHGNTTQYAFYDNPKVLFISIHRYDNGEFWPNLRESNYDFIGTGRGRGFNVNIALNDKDIGDSDYLTIFHRIVLPLAYEFDPELVLVSAGYDSSFGCPVGQLNLSPSLYAHLTHKLMAFAEGKVIVGLEGGYYLDTLSESVGHTLSALLGDPMPSLDPMKPINPSVLETISNCISTLSFRWKFLHIYPLLNDNVLFPDISHLKLQSWSDVKVPNFEPTDEHHNVEDKLGIEKRFDYLKNTHPIAGNNKISGTCLVYDNRMQNHKNEEDPTYPENPERIKHTYALLKQLGLKRRCKCIEARYATRTELLRVHTEEYVNTIASTVNMEQTALNDFGASENSVYFNCHTYDNALLASGSLLAVIDEVCSGESLNGMALIRPPGHHALKDRCMGFCFFNNVAIGARHAQQVYGLERIAIIDWDVHHGNGTAEIFEDDPNILYISVHRFDHGRYFPNSDFSSSQFCGTGEGLGRTIHIAWNGRDVKDGDYIVTFTNIIIPILYEFRPQLILVSAGFDAAHGDKLGRLGVSPECFAHLTHLLMTVVHLNPSVYTLNHRKNSPIISTPTRQTRQRLQQEKSISYSGGLVLALEGGYQITALSQCVAHCVATLLGDNCPRLSSNLSISEKSCKSMQQTIEIHSNYWNMLKGFDPVNRFYDQDSIRRPVIGRNTRQNPQNTTTTTISSSSSSNTTIELNNESDLVHSKLNNLCLNDKQPITKCTSTPGDNNNNHLDDEFSQLFKTKLTLNADSSLNNTSDRLSSTSISKHPSERQYVHEQNSYETLNNSESTVAKTSGVVIDPSESHHQQQPSTSNGSGFTSEDIHDFFGLPSSHELTSQVFAVTPLSWCPHLISVHNNPNWKPDINSLCNSCNHSNENWVCLSCYSVYCGRYANSHMIEHFNITKHSIVLSYADLSTWCYQCESYVHNEVLLNMKRAVYQAKFGEVMPGSS
					

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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	32.6	Very low	29.4	Very low	249 Å²	249	143.4 Å²	143.4	100%	1.227	84%	0.835	S	S	*	*				0	110.3	0	-79.6	-174.4	172.5	0	0	108
2	S	31.3	Very low	29.1	Very low	122 Å²	122	137.7 Å²	137.7	85%	0.853	83%	0.83	S	S	*	*			trans	-153.7	88.8	162.1	54	0	0	0	0	105.8
3	G	27.3	Very low	29	Very low	66 Å²	66	136.4 Å²	136.4	68%	0.68	83%	0.831	S	S	*	*			trans	-75.1	146.5	162.9	0	0	0	0	0	108.9
4	N	31.5	Very low	29.1	Very low	168 Å²	168	133.4 Å²	133.4	90%	0.898	83%	0.828	S	S	*	*			trans	-150	122.8	138.2	-99.5	-15.4	0	0	0	107.5
5	T	31.3	Very low	29	Very low	130 Å²	130	140.7 Å²	140.7	80%	0.798	83%	0.834	S	S	*	*			trans	-75.1	128.1	-168.3	40.2	0	0	0	0	111
6	S	28.4	Very low	28.9	Very low	111 Å²	111	146.8 Å²	146.8	78%	0.776	84%	0.838	S	S	*	*			trans	-77.9	110.7	166.7	52.1	0	0	0	0	109.6
7	D	30.5	Very low	29	Very low	162 Å²	162	149.6 Å²	149.6	87%	0.866	84%	0.839	S	S	*	*			trans	-67.8	131.2	168	-92.3	-32.7	0	0	0	110.7
8	Q	28.9	Very low	29.2	Very low	161 Å²	161	150.2 Å²	150.2	75%	0.752	84%	0.839	S	S	*	*			trans	-75.5	118.6	-172.4	-66.6	176.9	-20.3	0	0	110.7	F10	Q8-F10 HydrophobicContact CB-CD2 4.22Å; Q8-F10 HydrophobicContact CB-CE2 4.21Å
9	S	25.4	Very low	29.2	Very low	119 Å²	119	154.8 Å²	154.8	83%	0.832	84%	0.842	S	S	*	*			trans	-86.2	114.5	160	41.8	0	0	0	0	108.7
10	F	25.9	Very low	29.3	Very low	177 Å²	177	154.4 Å²	154.4	78%	0.776	84%	0.839	S	S	*	*			trans	-89.7	154.2	170.2	-94.5	-96.4	0	0	0	111	Q8	Q8-F10 HydrophobicContact CB-CD2 4.22Å; Q8-F10 HydrophobicContact CB-CE2 4.21Å
11	P	30.3	Very low	29.8	Very low	112 Å²	112	152.5 Å²	152.5	73%	0.727	84%	0.835	S	S	*	*			trans	-114.3	152.8	-131.9	31.3	-17.8	0	0	0	115.2
12	G	26	Very low	29.7	Very low	75 Å²	75	147 Å²	147	77%	0.773	81%	0.81	S	S	*	*			trans	62.9	78.1	130.7	0	0	0	0	0	117.2	A14	G12-A14 PolarHBondContact O-N 3.07Å; G12-A14 VanDerWaalsContact O-N 3.11Å
13	S	27.7	Very low	29.6	Very low	121 Å²	121	144.5 Å²	144.5	85%	0.846	79%	0.792	S	S	*	*			trans	-59.2	112.8	160.9	74.7	0	0	0	0	110.1	R15	S13-R15 PolarHBondContact O-N 3.22Å
14	A	29.8	Very low	30.1	Very low	95 Å²	95	148.2 Å²	148.2	79%	0.785	80%	0.796	S	S	*	*			trans	-68.1	113.3	173.2	0	0	0	0	0	109.1	G12 R16	G12-A14 PolarHBondContact O-N 3.07Å; G12-A14 VanDerWaalsContact O-N 3.11Å; A14-R16 PolarHBondContact O-N 3.18Å
15	R	28	Very low	30.3	Very low	242 Å²	242	148.8 Å²	148.8	91%	0.913	79%	0.791	S	S	*	*			trans	-52.4	100	169.9	-77.6	174.2	166.7	173.9	-5.2	110.4	S13 K17	S13-R15 PolarHBondContact O-N 3.22Å; R15-K17 PolarHBondContact O-N 3.29Å; R15-K17 VanDerWaalsContact O-N 3.15Å
16	R	27.9	Very low	30.3	Very low	238 Å²	238	147.1 Å²	147.1	90%	0.898	78%	0.777	S	S	*	*			trans	-68.1	105.2	159.7	-93	-178.7	169.8	171.2	-3	107.8	A14 N18	A14-R16 PolarHBondContact O-N 3.18Å; R16-N18 PolarHBondContact O-N 2.87Å
17	K	29.7	Very low	30.6	Very low	196 Å²	196	147.1 Å²	147.1	85%	0.852	77%	0.768	S	S	*	*			trans	-62.3	98.3	164.8	-76.2	179.7	174	179.3	0	108	R15 R19	R15-K17 PolarHBondContact O-N 3.29Å; R15-K17 VanDerWaalsContact O-N 3.15Å; K17-R19 PolarHBondContact O-N 3.47Å; K17-R19 VanDerWaalsContact O-N 3.08Å
18	N	32.5	Very low	30.7	Very low	159 Å²	159	143.7 Å²	143.7	85%	0.85	75%	0.754	S	S	*	*			trans	-62.9	107.2	162.7	-90.5	-9.4	0	0	0	107.7	R16 N20	R16-N18 PolarHBondContact O-N 2.87Å; N18-N20 PolarHBondContact O-N 3.3Å
19	R	29.2	Very low	30.6	Very low	238 Å²	238	141.4 Å²	141.4	90%	0.898	75%	0.751	S	S	*	*			trans	-67.5	105	165.2	-76.2	178.8	170.4	177.9	-3.7	106.8	K17 P21	K17-R19 PolarHBondContact O-N 3.47Å; K17-R19 VanDerWaalsContact O-N 3.08Å; R19-P21 WeakPolarHBondContact O-CD 3.46Å
20	N	32.4	Very low	30.8	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	74%	0.742	S	S	*	*			trans	-69.5	118.5	166.4	-145.5	11.2	0	0	0	106.8	N18 L22	N18-N20 PolarHBondContact O-N 3.3Å; N20-L22 PolarHBondContact O-N 2.77Å
21	P	39	Very low	31.2	Very low	116 Å²	116	139.3 Å²	139.3	75%	0.753	73%	0.731	S	S	*	*	S	Bend	trans	-84.4	16.1	-169.7	30.5	-29	0	0	0	114.5	R19	R19-P21 WeakPolarHBondContact O-CD 3.46Å
22	L	29.8	Very low	31	Very low	134 Å²	134	138.5 Å²	138.5	70%	0.702	73%	0.728	S	S	*	*			trans	-131.5	114	174.9	-66.6	168.2	0	0	0	108.3	N20	N20-L22 PolarHBondContact O-N 2.77Å
23	S	30.9	Very low	31.1	Very low	69 Å²	69	139.7 Å²	139.7	48%	0.483	73%	0.731	S	S	.	*			trans	-85.7	143.7	176.2	76.6	0	0	0	0	109.4	K25 D26	S23-K25 PolarHBondContact O-N 2.99Å; S23-D26 PolarHBondContact O-N 3.27Å; S23-D26 VanDerWaalsContact O-N 3.09Å; S23-D26 PolarHBondContact OG-OD2 2.97Å
24	D	37	Very low	31.2	Very low	143 Å²	143	138.6 Å²	138.6	77%	0.765	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.9	-5.5	-176.3	-64.7	-36.6	0	0	0	115.1
25	K	35.6	Very low	31.3	Very low	181 Å²	181	139.3 Å²	139.3	79%	0.787	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-14.5	177.6	-68.8	-169.1	175.3	-173.8	0	114.6	S23 P28	S23-K25 PolarHBondContact O-N 2.99Å; K25-P28 WeakPolarHBondContact O-CD 3.25Å
26	D	30.8	Very low	31.3	Very low	94 Å²	94	133.8 Å²	133.8	50%	0.503	69%	0.69	S	S	.	*	S	Bend	trans	-94.9	-3.7	-178	-58.8	-46.9	0	0	0	113.3	S23 P28	S23-D26 PolarHBondContact O-N 3.27Å; S23-D26 VanDerWaalsContact O-N 3.09Å; S23-D26 PolarHBondContact OG-OD2 2.97Å; D26-P28 VanDerWaalsContact C-CD 3.47Å
27	I	34.7	Very low	31.7	Very low	112 Å²	112	125.8 Å²	125.8	57%	0.574	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-67.5	-30.4	-179.8	-61.3	177.8	0	0	0	113.9	V29	I27-V29 VanDerWaalsContact C-N 3.32Å; I27-V29 PolarHBondContact O-N 3.37Å
28	P	32.3	Very low	32	Very low	89 Å²	89	125.3 Å²	125.3	58%	0.578	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-74.3	-15.7	-178.9	-16.6	31	0	0	0	115.1	K25 D26	K25-P28 WeakPolarHBondContact O-CD 3.25Å; D26-P28 VanDerWaalsContact C-CD 3.47Å
29	V	28.5	Very low	32.2	Very low	113 Å²	113	121.2 Å²	121.2	69%	0.685	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-86.9	-21.5	-170.1	-177.1	0	0	0	0	113.1	I27	I27-V29 VanDerWaalsContact C-N 3.32Å; I27-V29 PolarHBondContact O-N 3.37Å
30	I	28.5	Very low	33	Very low	128 Å²	128	112.6 Å²	112.6	66%	0.656	61%	0.611	S	S	*	*	S	Bend	trans	-83.1	-17.2	-179.9	-60.5	179.4	0	0	0	111.9
31	F	34	Very low	33.6	Very low	125 Å²	125	107.2 Å²	107.2	55%	0.548	58%	0.58	S	S	.	*	S	Bend	trans	-126.1	15.9	-170.1	-63.4	-87.4	0	0	0	115.3	F34	F31-F34 HydrophobicContact CB-CD2 3.92Å; F31-F34 HydrophobicContact CB-CE2 3.94Å; F31-F34 AromaticContact CD1-CD2 3.96Å; F31-F34 HydrophobicContact CD1-CD2 3.96Å; F31-F34 HydrophobicContact CD1-CE1 4.29Å; F31-F34 AromaticContact CD1-CE2 3.17Å; F31-F34 HydrophobicContact CD1-CE2 3.17Å; F31-F34 AromaticContact CD1-CZ 3.37Å; F31-F34 HydrophobicContact CD1-CZ 3.37Å; F31-F34 AromaticContact CE1-CE2 3.94Å; F31-F34 HydrophobicContact CE1-CE2 3.94Å; F31-F34 AromaticContact CE1-CZ 3.78Å; F31-F34 HydrophobicContact CE1-CZ 3.78Å; F31-F34 HydrophobicContact CG-CD2 4.42Å; F31-F34 AromaticContact CG-CE2 3.93Å; F31-F34 HydrophobicContact CG-CE2 3.93Å; F31-F34 HydrophobicContact CG-CZ 4.5Å; F31-F34 WeakPolarHBondContact O-CD2 3.26Å
32	S	26.8	Very low	34.2	Very low	95 Å²	95	103 Å²	103	66%	0.664	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-2	175.1	59.6	0	0	0	0	115.2	F34	S32-F34 VanDerWaalsContact C-N 3.27Å
33	A	27.6	Very low	34.9	Very low	100 Å²	100	101.6 Å²	101.6	83%	0.826	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	9.7	171.7	0	0	0	0	0	113
34	F	31.4	Very low	35.6	Very low	98 Å²	98	104.6 Å²	104.6	43%	0.43	55%	0.547	S	S	.	.	S	Bend	trans	-83.9	127.2	-179.1	-76.7	-104.7	0	0	0	109.4	F31 S32 N36	F31-F34 HydrophobicContact CB-CD2 3.92Å; F31-F34 HydrophobicContact CB-CE2 3.94Å; F31-F34 AromaticContact CD1-CD2 3.96Å; F31-F34 HydrophobicContact CD1-CD2 3.96Å; F31-F34 HydrophobicContact CD1-CE1 4.29Å; F31-F34 AromaticContact CD1-CE2 3.17Å; F31-F34 HydrophobicContact CD1-CE2 3.17Å; F31-F34 AromaticContact CD1-CZ 3.37Å; F31-F34 HydrophobicContact CD1-CZ 3.37Å; F31-F34 AromaticContact CE1-CE2 3.94Å; F31-F34 HydrophobicContact CE1-CE2 3.94Å; F31-F34 AromaticContact CE1-CZ 3.78Å; F31-F34 HydrophobicContact CE1-CZ 3.78Å; F31-F34 HydrophobicContact CG-CD2 4.42Å; F31-F34 AromaticContact CG-CE2 3.93Å; F31-F34 HydrophobicContact CG-CE2 3.93Å; F31-F34 HydrophobicContact CG-CZ 4.5Å; F31-F34 WeakPolarHBondContact O-CD2 3.26Å; S32-F34 VanDerWaalsContact C-N 3.27Å; F34-N36 PolarHBondContact O-N 2.7Å
35	D	31.6	Very low	36	Very low	110 Å²	110	100.1 Å²	100.1	59%	0.588	52%	0.522	S	S	*	.			trans	-49.6	111.1	169.9	-169.3	-17.7	0	0	0	109.1	S37	D35-S37 PolarHBondContact O-N 3.01Å; D35-S37 PolarHBondContact OD1-OG 3.4Å; D35-S37 VanDerWaalsContact OD1-OG 3.04Å
36	N	27.7	Very low	36.1	Very low	125 Å²	125	95.2 Å²	95.2	67%	0.668	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-8.2	-171.8	-76.4	-36.1	0	0	0	113.4	F34 R38 D40	F34-N36 PolarHBondContact O-N 2.7Å; N36-R38 VanDerWaalsContact C-N 3.34Å; N36-R38 PolarHBondContact O-N 2.63Å; N36-D40 WeakPolarHBondContact O-CB 3.34Å; N36-D40 PolarHBondContact O-N 3.34Å
37	S	36.5	Very low	36.6	Very low	71 Å²	71	93.6 Å²	93.6	50%	0.497	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-25.3	-177.9	56.5	0	0	0	0	115.3	D35	D35-S37 PolarHBondContact O-N 3.01Å; D35-S37 PolarHBondContact OD1-OG 3.4Å; D35-S37 VanDerWaalsContact OD1-OG 3.04Å
38	R	36.3	Very low	37.1	Very low	186 Å²	186	94.3 Å²	94.3	70%	0.702	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-27.7	-176.4	-72.1	-174.4	177.2	-177.1	-2.5	115.3	N36 D40	N36-R38 VanDerWaalsContact C-N 3.34Å; N36-R38 PolarHBondContact O-N 2.63Å; R38-D40 VanDerWaalsContact C-N 3.26Å
39	H	36.4	Very low	38.2	Very low	73 Å²	73	96.9 Å²	96.9	34%	0.338	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-23.8	169.3	-82.8	-67.4	0	0	0	111.8	Y41 F42 D43	H39-Y41 PolarHBondContact O-N 3Å; H39-Y41 VanDerWaalsContact O-N 3.13Å; H39-F42 PolarHBondContact O-N 3.13Å; H39-D43 PolarHBondContact O-N 2.91Å; H39-D43 VanDerWaalsContact O-N 3.1Å
40	D	44.9	Very low	40	Very low	57 Å²	57	95.3 Å²	95.3	31%	0.305	50%	0.5	S	S	.	.	H	α-helix	trans	-52.6	-31.5	175.7	-108	3.6	0	0	0	114.1	N36 R38 K44	N36-D40 WeakPolarHBondContact O-CB 3.34Å; N36-D40 PolarHBondContact O-N 3.34Å; R38-D40 VanDerWaalsContact C-N 3.26Å; D40-K44 HydrophobicContact CB-CD 4.22Å; D40-K44 VanDerWaalsContact CG-CE 3.41Å; D40-K44 WeakPolarHBondContact O-CA 3.43Å; D40-K44 WeakPolarHBondContact O-CB 3.45Å; D40-K44 WeakPolarHBondContact O-CD 3.44Å; D40-K44 WeakPolarHBondContact O-CG 3.45Å; D40-K44 PolarHBondContact O-N 2.93Å; D40-K44 WeakPolarHBondContact OD2-CE 3.49Å; D40-K44 IonicContact OD2-NZ 3.72Å; D40-K44 PolarHBondContact OD2-NZ 3.31Å
41	Y	46.3	Very low	42.9	Very low	32 Å²	32	90.5 Å²	90.5	13%	0.125	48%	0.482	C	S	.	.	H	α-helix	trans	-61.3	-48.8	-178.6	177	-98.2	0	0	0	112.4	H39 Q45 H820 N829 P831	H39-Y41 PolarHBondContact O-N 3Å; H39-Y41 VanDerWaalsContact O-N 3.13Å; Y41-Q45 VanDerWaalsContact CZ-NE2 3.34Å; Y41-Q45 WeakPolarHBondContact O-CG 3.45Å; Y41-Q45 PolarHBondContact O-N 3.35Å; Y41-Q45 PolarHBondContact OH-NE2 3.28Å; Y41-Q45 VanDerWaalsContact OH-NE2 3.11Å; Y41-H820 AromaticContact CD1-CE1 3.94Å; Y41-H820 AromaticContact CE1-CE1 4Å; Y41-N829 PolarHBondContact OH-O 2.93Å; Y41-P831 HydrophobicContact CD2-CB 3.96Å; Y41-P831 HydrophobicContact CE2-CB 3.65Å; Y41-P831 HydrophobicContact CE2-CG 4.4Å
42	F	50.5	Low	45.9	Very low	29 Å²	29	84.7 Å²	84.7	13%	0.127	46%	0.457	C	S	.	.	H	α-helix	trans	-83.3	-30.6	179.5	-66	-75.3	0	0	0	112.3	H39 Q45 S46 L508 L510 A819 A823	H39-F42 PolarHBondContact O-N 3.13Å; F42-Q45 PolarHBondContact O-N 3.11Å; F42-S46 PolarHBondContact O-N 3.32Å; F42-L508 HydrophobicContact CB-CD2 3.69Å; F42-L508 HydrophobicContact CD1-CB 4.23Å; F42-L508 HydrophobicContact CD1-CD1 4.06Å; F42-L508 HydrophobicContact CD1-CD2 4.43Å; F42-L508 HydrophobicContact CD1-CG 4.46Å; F42-L508 HydrophobicContact CD2-CD1 3.59Å; F42-L508 HydrophobicContact CD2-CD2 3.62Å; F42-L508 HydrophobicContact CD2-CG 4.14Å; F42-L508 HydrophobicContact CE1-CD1 3.95Å; F42-L508 HydrophobicContact CE2-CD1 3.48Å; F42-L508 VanDerWaalsContact CE2-CD1 3.48Å; F42-L508 HydrophobicContact CE2-CD2 4.37Å; F42-L508 HydrophobicContact CE2-CG 4.49Å; F42-L508 HydrophobicContact CG-CB 4.28Å; F42-L508 HydrophobicContact CG-CD1 3.89Å; F42-L508 HydrophobicContact CG-CD2 3.66Å; F42-L508 HydrophobicContact CG-CG 4.13Å; F42-L508 HydrophobicContact CZ-CD1 3.67Å; F42-L510 HydrophobicContact CE1-CD1 4.03Å; F42-A819 HydrophobicContact CZ-CB 4.09Å; F42-A823 HydrophobicContact CE1-CB 4.22Å
43	D	45.2	Very low	49.3	Very low	104 Å²	104	80.1 Å²	80.1	56%	0.556	43%	0.425	S	S	*	.	H	α-helix	trans	-70.3	-37.1	175.7	-77.4	-23.9	0	0	0	111.9	H39 Q45 S46	H39-D43 PolarHBondContact O-N 2.91Å; H39-D43 VanDerWaalsContact O-N 3.1Å; D43-Q45 VanDerWaalsContact C-N 3.3Å; D43-Q45 PolarHBondContact O-N 2.77Å; D43-S46 WeakPolarHBondContact O-CB 3.38Å; D43-S46 PolarHBondContact O-N 3.36Å; D43-S46 PolarHBondContact O-OG 2.82Å
44	K	45.8	Very low	52.7	Low	132 Å²	132	75.4 Å²	75.4	57%	0.574	39%	0.386	S	S	*	.	H	α-helix	trans	-67.4	-26	171.9	-72.8	171.6	-179.4	160.4	0	113.1	D40 S46 S47	D40-K44 HydrophobicContact CB-CD 4.22Å; D40-K44 VanDerWaalsContact CG-CE 3.41Å; D40-K44 WeakPolarHBondContact O-CA 3.43Å; D40-K44 WeakPolarHBondContact O-CB 3.45Å; D40-K44 WeakPolarHBondContact O-CD 3.44Å; D40-K44 WeakPolarHBondContact O-CG 3.45Å; D40-K44 PolarHBondContact O-N 2.93Å; D40-K44 WeakPolarHBondContact OD2-CE 3.49Å; D40-K44 IonicContact OD2-NZ 3.72Å; D40-K44 PolarHBondContact OD2-NZ 3.31Å; K44-S46 VanDerWaalsContact C-N 3.34Å; K44-S47 PolarHBondContact O-OG 2.99Å
45	Q	44	Very low	55.9	Low	48 Å²	48	70.7 Å²	70.7	22%	0.224	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.5	174.8	-74.8	-173.9	-0.5	0	0	114	Y41 F42 D43 S47 H48	Y41-Q45 VanDerWaalsContact CZ-NE2 3.34Å; Y41-Q45 WeakPolarHBondContact O-CG 3.45Å; Y41-Q45 PolarHBondContact O-N 3.35Å; Y41-Q45 PolarHBondContact OH-NE2 3.28Å; Y41-Q45 VanDerWaalsContact OH-NE2 3.11Å; F42-Q45 PolarHBondContact O-N 3.11Å; D43-Q45 VanDerWaalsContact C-N 3.3Å; D43-Q45 PolarHBondContact O-N 2.77Å; Q45-S47 CarbonylContact O-C 3.27Å; Q45-S47 PolarHBondContact O-N 2.86Å; Q45-H48 PolarHBondContact O-N 2.93Å
46	S	38.9	Very low	59	Low	78 Å²	78	67.4 Å²	67.4	55%	0.545	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.1	170.7	70.6	0	0	0	0	112.8	F42 D43 K44 H48	F42-S46 PolarHBondContact O-N 3.32Å; D43-S46 WeakPolarHBondContact O-CB 3.38Å; D43-S46 PolarHBondContact O-N 3.36Å; D43-S46 PolarHBondContact O-OG 2.82Å; K44-S46 VanDerWaalsContact C-N 3.34Å; S46-H48 PolarHBondContact O-CD2 3.18Å; S46-H48 PolarHBondContact O-N 2.94Å
47	S	41.4	Very low	62.4	Low	60 Å²	60	62 Å²	62	42%	0.42	32%	0.316	S	S	.	.	S	Bend	trans	-76.6	80.1	157.7	69.5	0	0	0	0	109.5	K44 Q45 K50	K44-S47 PolarHBondContact O-OG 2.99Å; Q45-S47 CarbonylContact O-C 3.27Å; Q45-S47 PolarHBondContact O-N 2.86Å; S47-K50 VanDerWaalsContact OG-CE 3.32Å; S47-K50 WeakPolarHBondContact OG-CE 3.33Å
48	H	45	Very low	65.3	Low	127 Å²	127	65.1 Å²	65.1	59%	0.588	32%	0.322	S	S	*	.			trans	-50.8	130.7	-175	-61.8	-52.3	0	0	0	114	Q45 S46	Q45-H48 PolarHBondContact O-N 2.93Å; S46-H48 PolarHBondContact O-CD2 3.18Å; S46-H48 PolarHBondContact O-N 2.94Å
49	D	54.7	Low	68.3	Low	144 Å²	144	60.5 Å²	60.5	77%	0.77	31%	0.305	S	S	*	.			trans	54.6	67.4	166	-155.1	14.7	0	0	0	114.7	G51	D49-G51 VanDerWaalsContact C-N 3.31Å; D49-G51 PolarHBondContact O-N 3.14Å
50	K	67.2	Low	71.2	Confident	80 Å²	80	57 Å²	57	35%	0.348	29%	0.289	S	S	.	.			trans	-62.1	100.2	165.8	-62.3	-177.7	179.1	-152.9	0	106.5	S47 G167 R170	S47-K50 VanDerWaalsContact OG-CE 3.32Å; S47-K50 WeakPolarHBondContact OG-CE 3.33Å; K50-G167 WeakPolarHBondContact CD-O 3.18Å; K50-G167 WeakPolarHBondContact CE-O 3.22Å; K50-G167 PolarHBondContact NZ-O 3.09Å; K50-R170 HydrophobicContact CB-CB 4.08Å; K50-R170 WeakPolarHBondContact O-CB 3.47Å; K50-R170 PolarHBondContact O-N 3.3Å
51	G	88.2	Confident	73.7	Confident	27 Å²	27	56.7 Å²	56.7	28%	0.278	29%	0.287	S	S	.	.			trans	-67.9	-169.2	-171.4	0	0	0	0	0	113.6	D49 V169 R170	D49-G51 VanDerWaalsContact C-N 3.31Å; D49-G51 PolarHBondContact O-N 3.14Å; G51-V169 WeakPolarHBondContact O-CB 3.38Å; G51-R170 PolarHBondContact O-N 3.33Å
52	T	96.9	Very high	76.1	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.1	173.6	-59.7	0	0	0	0	110	C94 L95 N171 L365 L368	T52-C94 CarbonylContact O-C 3.52Å; T52-C94 VanDerWaalsContact O-CA 3.25Å; T52-C94 WeakPolarHBondContact O-CA 3.45Å; T52-C94 WeakPolarHBondContact O-CB 3.5Å; T52-L95 PolarHBondContact O-N 3.39Å; T52-N171 WeakPolarHBondContact CA-O 3.47Å; T52-N171 WeakPolarHBondContact CA-OD1 3.29Å; T52-N171 VanDerWaalsContact CB-OD1 3.22Å; T52-N171 WeakPolarHBondContact CB-OD1 3.34Å; T52-N171 VanDerWaalsContact CG2-OD1 3.27Å; T52-N171 WeakPolarHBondContact CG2-OD1 3.22Å; T52-N171 PolarHBondContact OG1-OD1 2.91Å; T52-L365 HydrophobicContact CG2-CD1 3.9Å; T52-L368 HydrophobicContact CG2-CB 3.92Å; T52-L368 HydrophobicContact CG2-CD1 4.4Å; T52-L368 PolarHBondContact OG1-O 3Å; T52-L368 VanDerWaalsContact OG1-O 3.08Å
53	A	98.4	Very high	78.3	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	139.9	166.8	0	0	0	0	0	110.5	I55 L95 L163 V169 N171 A172 F173	A53-I55 HydrophobicContact CB-CD1 4.39Å; A53-I55 HydrophobicContact CB-CG1 4.12Å; A53-L95 CarbonylContact C-O 3.45Å; A53-L95 WeakPolarHBondContact CA-O 3.38Å; A53-L163 HydrophobicContact CB-CD1 4.33Å; A53-V169 HydrophobicContact CB-CB 4.33Å; A53-V169 HydrophobicContact CB-CG1 4.03Å; A53-V169 HydrophobicContact CB-CG2 3.99Å; A53-N171 PolarHBondContact N-O 2.88Å; A53-A172 HydrophobicContact CB-CB 3.94Å; A53-A172 CarbonylContact O-C 3.55Å; A53-A172 VanDerWaalsContact O-CA 3.3Å; A53-A172 WeakPolarHBondContact O-CA 3.29Å; A53-F173 PolarHBondContact O-N 3.31Å
54	F	98.5	Very high	80.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	110.5	167.5	-168.1	-84.8	0	0	0	108	Y56 I82 L91 C94 L95 I96 I97 F173 L175 L365	F54-Y56 AromaticContact CD1-CD1 3.58Å; F54-Y56 HydrophobicContact CD1-CD1 3.58Å; F54-Y56 HydrophobicContact CD1-CE1 4.13Å; F54-Y56 HydrophobicContact CD1-CG 4.44Å; F54-Y56 AromaticContact CE1-CD1 3.7Å; F54-Y56 HydrophobicContact CE1-CD1 3.7Å; F54-Y56 HydrophobicContact CE1-CE1 4.33Å; F54-Y56 HydrophobicContact CE1-CG 4.18Å; F54-I82 HydrophobicContact CE1-CD1 3.63Å; F54-I82 HydrophobicContact CZ-CD1 4.2Å; F54-L91 HydrophobicContact CB-CD2 4.41Å; F54-L91 HydrophobicContact CD1-CD2 3.6Å; F54-L91 HydrophobicContact CD2-CD2 3.76Å; F54-L91 HydrophobicContact CE1-CD2 3.7Å; F54-L91 HydrophobicContact CE2-CD2 3.83Å; F54-L91 HydrophobicContact CG-CD2 3.64Å; F54-L91 HydrophobicContact CZ-CD2 3.8Å; F54-C94 HydrophobicContact CB-CB 3.66Å; F54-L95 PolarHBondContact N-O 3.22Å; F54-I96 HydrophobicContact CB-CD1 3.9Å; F54-I96 HydrophobicContact CD1-CD1 4.39Å; F54-I96 WeakPolarHBondContact O-CA 3.43Å; F54-I97 PolarHBondContact O-N 3.2Å; F54-I97 VanDerWaalsContact O-N 3.08Å; F54-F173 HydrophobicContact CD2-CB 3.88Å; F54-F173 HydrophobicContact CD2-CD1 4.01Å; F54-F173 HydrophobicContact CD2-CG 4.24Å; F54-F173 HydrophobicContact CE2-CB 4.21Å; F54-F173 AromaticContact CE2-CD1 3.49Å; F54-F173 HydrophobicContact CE2-CD1 3.49Å; F54-F173 VanDerWaalsContact CE2-CD1 3.49Å; F54-F173 HydrophobicContact CE2-CE1 4.2Å; F54-F173 HydrophobicContact CE2-CG 4.04Å; F54-F173 HydrophobicContact CZ-CD1 4.11Å; F54-L175 HydrophobicContact CE1-CB 3.96Å; F54-L175 HydrophobicContact CE1-CD2 4.15Å; F54-L175 HydrophobicContact CZ-CB 3.73Å; F54-L175 HydrophobicContact CZ-CD2 3.97Å; F54-L175 HydrophobicContact CZ-CG 4.38Å; F54-L365 HydrophobicContact CD2-CD1 3.83Å; F54-L365 HydrophobicContact CD2-CD2 3.64Å; F54-L365 HydrophobicContact CD2-CG 4.37Å; F54-L365 HydrophobicContact CE2-CD1 4.45Å; F54-L365 HydrophobicContact CE2-CD2 3.76Å
55	I	98.7	Very high	83	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.1	-168.2	-43.5	-168.1	0	0	0	109.2	A53 I97 P99 Q159 A160 L163 F173 L175	A53-I55 HydrophobicContact CB-CD1 4.39Å; A53-I55 HydrophobicContact CB-CG1 4.12Å; I55-I97 WeakPolarHBondContact CA-O 3.47Å; I55-I97 HydrophobicContact CB-CB 4.39Å; I55-I97 HydrophobicContact CD1-CB 4.43Å; I55-I97 HydrophobicContact CG1-CB 4.01Å; I55-I97 HydrophobicContact CG1-CG1 4.41Å; I55-I97 HydrophobicContact CG2-CB 4.11Å; I55-I97 HydrophobicContact CG2-CG2 4.09Å; I55-P99 HydrophobicContact CG2-CB 4Å; I55-P99 HydrophobicContact CG2-CG 4.19Å; I55-Q159 HydrophobicContact CD1-CB 4.49Å; I55-A160 HydrophobicContact CD1-CB 3.71Å; I55-L163 HydrophobicContact CD1-CD1 4.19Å; I55-F173 PolarHBondContact N-O 3.35Å; I55-L175 PolarHBondContact O-N 2.9Å
56	Y	98.1	Very high	85.3	Confident	41 Å²	41	52.8 Å²	52.8	16%	0.161	27%	0.271	C	S	.	.			trans	-157.3	157.8	-179	79.2	-84	0	0	0	111	F54 E58 F78 I82 I96 I97 N98 P99	F54-Y56 AromaticContact CD1-CD1 3.58Å; F54-Y56 HydrophobicContact CD1-CD1 3.58Å; F54-Y56 HydrophobicContact CD1-CE1 4.13Å; F54-Y56 HydrophobicContact CD1-CG 4.44Å; F54-Y56 AromaticContact CE1-CD1 3.7Å; F54-Y56 HydrophobicContact CE1-CD1 3.7Å; F54-Y56 HydrophobicContact CE1-CE1 4.33Å; F54-Y56 HydrophobicContact CE1-CG 4.18Å; Y56-E58 HydrophobicContact CE2-CG 4.44Å; Y56-F78 AromaticContact CD2-CE1 3.84Å; Y56-F78 HydrophobicContact CD2-CE1 3.84Å; Y56-F78 AromaticContact CD2-CZ 3.69Å; Y56-F78 HydrophobicContact CD2-CZ 3.69Å; Y56-F78 HydrophobicContact CG-CZ 4.15Å; Y56-I82 HydrophobicContact CD1-CD1 4.06Å; Y56-I82 HydrophobicContact CD2-CD1 3.77Å; Y56-I82 HydrophobicContact CD2-CG1 4.42Å; Y56-I82 HydrophobicContact CE1-CD1 4.1Å; Y56-I82 HydrophobicContact CE2-CD1 3.86Å; Y56-I82 HydrophobicContact CE2-CG1 4.47Å; Y56-I82 HydrophobicContact CG-CD1 3.86Å; Y56-I96 HydrophobicContact CD1-CG2 4.24Å; Y56-I96 HydrophobicContact CE1-CG2 3.56Å; Y56-I97 PolarHBondContact N-O 2.78Å; Y56-I97 VanDerWaalsContact N-O 3.16Å; Y56-N98 PolarHBondContact O-OD1 3.36Å; Y56-P99 WeakPolarHBondContact O-CD 3.46Å
57	D	98	Very high	87.8	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.064	26%	0.255	C	S	.	.			trans	-140.9	129.4	171.3	-159.6	-68.9	0	0	0	111.3	R59 M60 F78 P99 L152	D57-R59 VanDerWaalsContact CG-NE 3.27Å; D57-R59 PolarHBondContact O-N 3.12Å; D57-R59 VanDerWaalsContact O-N 3.15Å; D57-R59 WeakPolarHBondContact OD1-CB 3.47Å; D57-R59 WeakPolarHBondContact OD1-CG 3.26Å; D57-R59 IonicContact OD1-CZ 3.27Å; D57-R59 PolarHBondContact OD1-N 3.36Å; D57-R59 IonicContact OD1-NE 3.09Å; D57-R59 PolarHBondContact OD1-NE 2.95Å; D57-R59 IonicContact OD1-NH2 2.65Å; D57-R59 IonicContact OD2-CZ 2.97Å; D57-R59 VanDerWaalsContact OD2-CZ 3.27Å; D57-R59 IonicContact OD2-NE 3.95Å; D57-R59 PolarHBondContact OD2-NE 3.33Å; D57-R59 VanDerWaalsContact OD2-NE 3.09Å; D57-R59 IonicContact OD2-NH2 3.84Å; D57-R59 PolarHBondContact OD2-NH2 2.93Å; D57-M60 HydrophobicContact CB-CE 4.18Å; D57-M60 WeakPolarHBondContact O-CB 3.25Å; D57-M60 WeakPolarHBondContact O-CG 3.47Å; D57-M60 PolarHBondContact O-N 3.5Å; D57-F78 WeakPolarHBondContact O-CZ 3.46Å; D57-P99 HydrophobicContact CB-CG 3.88Å; D57-L152 HydrophobicContact CB-CD1 4.32Å; D57-L152 HydrophobicContact CB-CD2 4.42Å
58	E	97.8	Very high	90.2	Very high	135 Å²	135	51.2 Å²	51.2	63%	0.631	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-62	-21.6	178.2	-68.1	-172.6	171.8	0	0	113.1	Y56 M60 L61	Y56-E58 HydrophobicContact CE2-CG 4.44Å; E58-M60 PolarHBondContact O-N 3.29Å; E58-M60 VanDerWaalsContact O-N 3.16Å; E58-L61 HydrophobicContact CB-CD1 4.24Å; E58-L61 WeakPolarHBondContact O-CB 3.29Å; E58-L61 VanDerWaalsContact O-CG 3.29Å; E58-L61 WeakPolarHBondContact O-CG 3.03Å; E58-L61 PolarHBondContact O-N 3.1Å
59	R	98.3	Very high	92.2	Very high	89 Å²	89	50.1 Å²	50.1	34%	0.336	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-59.6	-24	172.6	-66	173.5	-71.6	174.7	-0.8	111.9	D57 L61 L62 P99 S149 L152	D57-R59 VanDerWaalsContact CG-NE 3.27Å; D57-R59 PolarHBondContact O-N 3.12Å; D57-R59 VanDerWaalsContact O-N 3.15Å; D57-R59 WeakPolarHBondContact OD1-CB 3.47Å; D57-R59 WeakPolarHBondContact OD1-CG 3.26Å; D57-R59 IonicContact OD1-CZ 3.27Å; D57-R59 PolarHBondContact OD1-N 3.36Å; D57-R59 IonicContact OD1-NE 3.09Å; D57-R59 PolarHBondContact OD1-NE 2.95Å; D57-R59 IonicContact OD1-NH2 2.65Å; D57-R59 IonicContact OD2-CZ 2.97Å; D57-R59 VanDerWaalsContact OD2-CZ 3.27Å; D57-R59 IonicContact OD2-NE 3.95Å; D57-R59 PolarHBondContact OD2-NE 3.33Å; D57-R59 VanDerWaalsContact OD2-NE 3.09Å; D57-R59 IonicContact OD2-NH2 3.84Å; D57-R59 PolarHBondContact OD2-NH2 2.93Å; R59-L61 PolarHBondContact O-N 3.03Å; R59-L62 HydrophobicContact CB-CD1 4.34Å; R59-L62 WeakPolarHBondContact O-CB 3.37Å; R59-L62 VanDerWaalsContact O-CG 3.24Å; R59-L62 WeakPolarHBondContact O-CG 3.36Å; R59-L62 PolarHBondContact O-N 3.21Å; R59-P99 PolarHBondContact NH2-O 2.63Å; R59-S149 PolarHBondContact O-OG 3.42Å; R59-L152 HydrophobicContact CB-CD1 3.59Å
60	M	98.2	Very high	93.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-63.6	-23.1	172.9	-63.7	-178.5	-156.8	0	0	112.8	D57 E58 L62 H63 F78 P99 S149 L152 S156 V176 R177	D57-M60 HydrophobicContact CB-CE 4.18Å; D57-M60 WeakPolarHBondContact O-CB 3.25Å; D57-M60 WeakPolarHBondContact O-CG 3.47Å; D57-M60 PolarHBondContact O-N 3.5Å; E58-M60 PolarHBondContact O-N 3.29Å; E58-M60 VanDerWaalsContact O-N 3.16Å; M60-L62 PolarHBondContact O-N 3.15Å; M60-H63 PolarHBondContact O-N 3.1Å; M60-F78 HydrophobicContact CB-CE2 4.18Å; M60-F78 HydrophobicContact SD-CE2 3.91Å; M60-P99 HydrophobicContact CE-CG 3.9Å; M60-S149 WeakPolarHBondContact CA-OG 3.29Å; M60-L152 HydrophobicContact CE-CB 3.65Å; M60-L152 HydrophobicContact CG-CB 4.02Å; M60-L152 HydrophobicContact CG-CD1 4.35Å; M60-S156 WeakPolarHBondContact CE-OG 3.26Å; M60-V176 HydrophobicContact CE-CG1 4.15Å; M60-V176 HydrophobicContact SD-CB 4.23Å; M60-V176 HydrophobicContact SD-CG1 4.38Å; M60-R177 HydrophobicContact CB-CG 3.99Å; M60-R177 PolarHBondContact O-NH1 3.33Å
61	L	97.6	Very high	94.6	Very high	51 Å²	51	46.3 Å²	46.3	27%	0.267	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-64.7	-17.4	173.1	-59.2	172.1	0	0	0	112.8	E58 R59 H63 P75 F78	E58-L61 HydrophobicContact CB-CD1 4.24Å; E58-L61 WeakPolarHBondContact O-CB 3.29Å; E58-L61 VanDerWaalsContact O-CG 3.29Å; E58-L61 WeakPolarHBondContact O-CG 3.03Å; E58-L61 PolarHBondContact O-N 3.1Å; R59-L61 PolarHBondContact O-N 3.03Å; L61-H63 VanDerWaalsContact C-N 3.28Å; L61-H63 PolarHBondContact O-N 3.03Å; L61-P75 HydrophobicContact CB-CB 4.39Å; L61-P75 HydrophobicContact CD2-CB 3.78Å; L61-P75 WeakPolarHBondContact CD2-O 3.37Å; L61-F78 HydrophobicContact CD2-CB 3.9Å; L61-F78 HydrophobicContact CD2-CD1 3.71Å; L61-F78 HydrophobicContact CD2-CE1 4.48Å; L61-F78 HydrophobicContact CD2-CG 4.03Å; L61-F78 HydrophobicContact CG-CD1 4.25Å
62	L	97.4	Very high	94.8	Very high	68 Å²	68	46.9 Å²	46.9	36%	0.356	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-70.7	-23.5	177.6	-60.6	173.7	0	0	0	112.8	R59 M60 K64 N143 H145	R59-L62 HydrophobicContact CB-CD1 4.34Å; R59-L62 WeakPolarHBondContact O-CB 3.37Å; R59-L62 VanDerWaalsContact O-CG 3.24Å; R59-L62 WeakPolarHBondContact O-CG 3.36Å; R59-L62 PolarHBondContact O-N 3.21Å; M60-L62 PolarHBondContact O-N 3.15Å; L62-K64 PolarHBondContact O-N 3.34Å; L62-N143 PolarHBondContact O-ND2 3.05Å; L62-H145 HydrophobicContact CB-CB 3.53Å; L62-H145 HydrophobicContact CD1-CB 4.38Å
63	H	96.7	Very high	94.6	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.009	23%	0.228	C	C	.	.			trans	-73.9	111.8	169.5	179.3	66.6	0	0	0	108.4	M60 L61 E73 Y141 T146 S149 R177	M60-H63 PolarHBondContact O-N 3.1Å; L61-H63 VanDerWaalsContact C-N 3.28Å; L61-H63 PolarHBondContact O-N 3.03Å; H63-E73 IonicContact CD2-OE2 2.78Å; H63-E73 PolarHBondContact CD2-OE2 3.31Å; H63-E73 IonicContact NE2-OE2 2.89Å; H63-Y141 AromaticContact CD2-CZ 3.75Å; H63-Y141 PolarHBondContact CD2-OH 3.46Å; H63-Y141 AromaticContact CE1-CD2 3.82Å; H63-Y141 AromaticContact CE1-CE2 3.24Å; H63-Y141 WeakPolarHBondContact CE1-CE2 3.47Å; H63-Y141 AromaticContact CE1-CZ 3.53Å; H63-Y141 PolarHBondContact CE1-O 3.03Å; H63-Y141 AromaticContact ND1-CE2 3.58Å; H63-Y141 AromaticContact NE2-CE1 3.93Å; H63-Y141 AromaticContact NE2-CE2 3.53Å; H63-Y141 AromaticContact NE2-CZ 3.28Å; H63-Y141 VanDerWaalsContact NE2-CZ 3.28Å; H63-Y141 PolarHBondContact NE2-OH 3.25Å; H63-T146 WeakPolarHBondContact ND1-CG2 3.08Å; H63-T146 PolarHBondContact ND1-OG1 3.3Å; H63-S149 WeakPolarHBondContact CB-OG 3.29Å; H63-R177 PolarHBondContact O-NH1 3.06Å; H63-R177 PolarHBondContact O-NH2 3.3Å
64	K	95.4	Very high	94.5	Very high	113 Å²	113	47.7 Å²	47.7	49%	0.491	23%	0.234	S	C	.	.			trans	-156.7	145.7	-179.7	64.8	-178.6	-179.5	178.6	0	110.1	L62 I66 P75 Y141 N143	L62-K64 PolarHBondContact O-N 3.34Å; K64-I66 PolarHBondContact O-N 3.1Å; K64-P75 HydrophobicContact CB-CG 3.74Å; K64-Y141 WeakPolarHBondContact CA-OH 3.4Å; K64-Y141 WeakPolarHBondContact O-CE2 3.39Å; K64-N143 PolarHBondContact N-ND2 2.68Å; K64-N143 PolarHBondContact O-ND2 2.86Å
65	N	93.8	Very high	94.4	Very high	13 Å²	13	48.6 Å²	48.6	7%	0.07	24%	0.24	C	C	.	.			trans	-73.6	112.1	177.5	-167.7	-37	0	0	0	109.5	W67 F68 F71 Y141	N65-W67 PolarHBondContact OD1-N 2.85Å; N65-F68 PolarHBondContact OD1-N 2.86Å; N65-F71 HydrophobicContact CB-CB 3.84Å; N65-F71 HydrophobicContact CB-CG 4.21Å; N65-F71 WeakPolarHBondContact ND2-CD2 3.42Å; N65-F71 WeakPolarHBondContact ND2-CG 3.43Å; N65-Y141 HydrophobicContact CB-CD1 3.99Å; N65-Y141 HydrophobicContact CB-CD2 4.02Å; N65-Y141 HydrophobicContact CB-CE1 4.05Å; N65-Y141 HydrophobicContact CB-CE2 4.1Å; N65-Y141 HydrophobicContact CB-CG 3.97Å
66	I	91.5	Very high	94.3	Very high	67 Å²	67	53 Å²	53	34%	0.344	26%	0.26	S	S	.	.	S	Bend	trans	-80.6	-17.1	-176.7	62.4	174.7	0	0	0	113.1	K64 D127	K64-I66 PolarHBondContact O-N 3.1Å; I66-D127 HydrophobicContact CD1-CB 4.29Å
67	W	92.9	Very high	94.3	Very high	56 Å²	56	51 Å²	51	21%	0.212	25%	0.253	C	S	.	.	S	Bend	trans	-96.3	-32.8	-178.5	-52.4	-76.4	0	0	0	112.2	N65 D127 L130 K131 F142 F435	N65-W67 PolarHBondContact OD1-N 2.85Å; W67-D127 VanDerWaalsContact CZ2-O 3.31Å; W67-D127 WeakPolarHBondContact CZ2-O 3.29Å; W67-L130 HydrophobicContact CH2-CB 3.92Å; W67-L130 HydrophobicContact CZ2-CB 4.15Å; W67-K131 HydrophobicContact CD2-CG 4.46Å; W67-K131 HydrophobicContact CH2-CB 4.23Å; W67-K131 HydrophobicContact CZ2-CB 3.6Å; W67-K131 HydrophobicContact CZ2-CG 4.3Å; W67-F142 WeakPolarHBondContact CH2-O 3.49Å; W67-F142 WeakPolarHBondContact CZ3-O 3.23Å; W67-F435 HydrophobicContact CB-CZ 4.49Å; W67-F435 AromaticContact CD2-CZ 3.69Å; W67-F435 HydrophobicContact CD2-CZ 3.69Å; W67-F435 HydrophobicContact CE3-CE1 4.45Å; W67-F435 AromaticContact CE3-CE2 3.81Å; W67-F435 HydrophobicContact CE3-CE2 3.81Å; W67-F435 AromaticContact CE3-CZ 3.32Å; W67-F435 HydrophobicContact CE3-CZ 3.32Å; W67-F435 HydrophobicContact CG-CZ 4.21Å; W67-F435 HydrophobicContact CH2-CZ 4.42Å; W67-F435 AromaticContact CZ3-CE2 3.8Å; W67-F435 HydrophobicContact CZ3-CE2 3.8Å; W67-F435 AromaticContact CZ3-CZ 3.71Å; W67-F435 HydrophobicContact CZ3-CZ 3.71Å
68	F	91	Very high	94.3	Very high	49 Å²	49	50.6 Å²	50.6	22%	0.215	25%	0.25	C	S	.	.			trans	-128.8	89.9	-178.7	-54.6	-72.7	0	0	0	110.6	N65 N70 F71 F435 E436 P437	N65-F68 PolarHBondContact OD1-N 2.86Å; F68-N70 PolarHBondContact O-N 3.41Å; F68-N70 VanDerWaalsContact O-N 3.14Å; F68-F71 HydrophobicContact CB-CB 4.47Å; F68-F71 VanDerWaalsContact O-CB 3.3Å; F68-F71 WeakPolarHBondContact O-CB 3.28Å; F68-F71 PolarHBondContact O-N 3.12Å; F68-F71 VanDerWaalsContact O-N 3.11Å; F68-F435 HydrophobicContact CD2-CE1 4.37Å; F68-F435 AromaticContact CE2-CD1 3.79Å; F68-F435 HydrophobicContact CE2-CD1 3.79Å; F68-F435 AromaticContact CE2-CE1 3.52Å; F68-F435 HydrophobicContact CE2-CE1 3.52Å; F68-F435 HydrophobicContact CE2-CZ 4.2Å; F68-F435 WeakPolarHBondContact CE2-O 3.34Å; F68-F435 HydrophobicContact CZ-CE1 4.34Å; F68-E436 HydrophobicContact CE2-CB 4.45Å; F68-E436 HydrophobicContact CE2-CG 4.25Å; F68-E436 HydrophobicContact CZ-CB 4.12Å; F68-E436 HydrophobicContact CZ-CG 3.75Å; F68-P437 HydrophobicContact CB-CG 3.57Å; F68-P437 HydrophobicContact CD1-CG 3.86Å; F68-P437 HydrophobicContact CD2-CG 4.33Å; F68-P437 VanDerWaalsContact CG-CD 3.44Å; F68-P437 HydrophobicContact CG-CG 3.68Å
69	P	86	Confident	94.3	Very high	104 Å²	104	46.2 Å²	46.2	68%	0.675	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.3	-177.6	-26.4	35.9	0	0	0	115	F71	P69-F71 VanDerWaalsContact C-N 3.31Å
70	N	83.1	Confident	94.3	Very high	130 Å²	130	43.1 Å²	43.1	70%	0.695	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	15.6	179.3	-61.9	-14.1	0	0	0	113	F68	F68-N70 PolarHBondContact O-N 3.41Å; F68-N70 VanDerWaalsContact O-N 3.14Å
71	F	90.2	Very high	94.3	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.057	23%	0.228	C	C	.	.			trans	-61.6	143.3	178	-159.2	-103.4	0	0	0	110.8	N65 F68 P69 E73 C74 Y141 F191 P437	N65-F71 HydrophobicContact CB-CB 3.84Å; N65-F71 HydrophobicContact CB-CG 4.21Å; N65-F71 WeakPolarHBondContact ND2-CD2 3.42Å; N65-F71 WeakPolarHBondContact ND2-CG 3.43Å; F68-F71 HydrophobicContact CB-CB 4.47Å; F68-F71 VanDerWaalsContact O-CB 3.3Å; F68-F71 WeakPolarHBondContact O-CB 3.28Å; F68-F71 PolarHBondContact O-N 3.12Å; F68-F71 VanDerWaalsContact O-N 3.11Å; P69-F71 VanDerWaalsContact C-N 3.31Å; F71-E73 HydrophobicContact CD1-CB 4.13Å; F71-E73 HydrophobicContact CE1-CB 4.24Å; F71-E73 PolarHBondContact O-N 2.88Å; F71-C74 WeakPolarHBondContact O-CB 3.14Å; F71-Y141 AromaticContact CD1-CD1 3.76Å; F71-Y141 HydrophobicContact CD1-CD1 3.76Å; F71-Y141 AromaticContact CD1-CE1 3.63Å; F71-Y141 HydrophobicContact CD1-CE1 3.63Å; F71-Y141 AromaticContact CE1-CD1 3.54Å; F71-Y141 HydrophobicContact CE1-CD1 3.54Å; F71-Y141 AromaticContact CE1-CE1 3.72Å; F71-Y141 HydrophobicContact CE1-CE1 3.72Å; F71-Y141 HydrophobicContact CZ-CD1 4.22Å; F71-F191 HydrophobicContact CD1-CE1 4.32Å; F71-F191 AromaticContact CE1-CD1 3.58Å; F71-F191 HydrophobicContact CE1-CD1 3.58Å; F71-F191 AromaticContact CE1-CE1 3.29Å; F71-F191 HydrophobicContact CE1-CE1 3.29Å; F71-F191 HydrophobicContact CE1-CZ 4.38Å; F71-F191 HydrophobicContact CZ-CD1 4.1Å; F71-F191 AromaticContact CZ-CE1 3.54Å; F71-F191 HydrophobicContact CZ-CE1 3.54Å; F71-P437 HydrophobicContact CD2-CB 4.28Å; F71-P437 HydrophobicContact CD2-CG 4.05Å
72	L	91.5	Very high	94.3	Very high	40 Å²	40	41.7 Å²	41.7	21%	0.209	22%	0.22	C	C	.	.	S	Bend	trans	-63.6	-43.7	-172.1	-68.2	169.6	0	0	0	112.5	C74 R77 P318 V319 Y352	L72-C74 PolarHBondContact O-N 3.29Å; L72-R77 WeakPolarHBondContact O-CD 3.47Å; L72-P318 HydrophobicContact CD2-CG 4.06Å; L72-V319 HydrophobicContact CD1-CG2 3.48Å; L72-V319 VanDerWaalsContact CD1-CG2 3.48Å; L72-Y352 HydrophobicContact CB-CD1 3.84Å; L72-Y352 HydrophobicContact CB-CE1 4.48Å; L72-Y352 HydrophobicContact CB-CG 4.12Å
73	E	93.8	Very high	94.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.229	C	C	.	.	S	Bend	trans	-76.8	104.3	169.2	-158.5	-55.1	121.3	0	0	108.7	H63 F71 R77 Y141 R177 F191	H63-E73 IonicContact CD2-OE2 2.78Å; H63-E73 PolarHBondContact CD2-OE2 3.31Å; H63-E73 IonicContact NE2-OE2 2.89Å; F71-E73 HydrophobicContact CD1-CB 4.13Å; F71-E73 HydrophobicContact CE1-CB 4.24Å; F71-E73 PolarHBondContact O-N 2.88Å; E73-R77 IonicContact OE1-NH1 3.59Å; E73-R77 PolarHBondContact OE1-NH1 3.43Å; E73-Y141 HydrophobicContact CB-CE1 4.31Å; E73-Y141 PolarHBondContact O-OH 3.11Å; E73-Y141 PolarHBondContact OE2-OH 2.94Å; E73-R177 IonicContact OE1-CZ 2.67Å; E73-R177 IonicContact OE1-NE 3.26Å; E73-R177 PolarHBondContact OE1-NE 2.86Å; E73-R177 IonicContact OE1-NH2 3.97Å; E73-R177 PolarHBondContact OE1-NH2 3.38Å; E73-R177 IonicContact OE2-CZ 3.61Å; E73-R177 IonicContact OE2-NE 3.28Å; E73-R177 IonicContact OE2-NH2 3.57Å; E73-R177 PolarHBondContact OE2-NH2 3.11Å; E73-F191 HydrophobicContact CB-CB 4.18Å; E73-F191 HydrophobicContact CB-CD1 3.84Å; E73-F191 HydrophobicContact CB-CD2 4.31Å; E73-F191 HydrophobicContact CB-CE1 4.35Å; E73-F191 HydrophobicContact CB-CG 3.84Å; E73-F191 HydrophobicContact CG-CB 3.93Å; E73-F191 HydrophobicContact CG-CG 4.13Å
74	C	95.1	Very high	94.3	Very high	18 Å²	18	44.6 Å²	44.6	12%	0.122	24%	0.235	C	C	.	.			trans	-141.7	158.5	-174.2	66.2	0	0	0	0	113.4	F71 L72 E76 R77 R177	F71-C74 WeakPolarHBondContact O-CB 3.14Å; L72-C74 PolarHBondContact O-N 3.29Å; C74-E76 VanDerWaalsContact CB-OE2 3.28Å; C74-E76 WeakPolarHBondContact CB-OE2 3.42Å; C74-E76 PolarHBondContact O-N 3.13Å; C74-E76 PolarHBondContact SG-OE2 2.81Å; C74-R77 WeakPolarHBondContact O-CB 3.3Å; C74-R77 PolarHBondContact O-N 2.77Å; C74-R177 VanDerWaalsContact C-CZ 3.42Å; C74-R177 PolarHBondContact O-NE 3.05Å
75	P	97.4	Very high	94.3	Very high	18 Å²	18	39.2 Å²	39.2	12%	0.117	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.6	177.6	-24.4	33.5	0	0	0	114.7	L61 K64 R77 F78 S79 R177	L61-P75 HydrophobicContact CB-CB 4.39Å; L61-P75 HydrophobicContact CD2-CB 3.78Å; L61-P75 WeakPolarHBondContact CD2-O 3.37Å; K64-P75 HydrophobicContact CB-CG 3.74Å; P75-R77 PolarHBondContact O-N 3.07Å; P75-F78 WeakPolarHBondContact O-CB 3.08Å; P75-F78 PolarHBondContact O-N 3.04Å; P75-S79 PolarHBondContact O-N 2.9Å; P75-S79 VanDerWaalsContact O-N 3.09Å; P75-R177 VanDerWaalsContact CA-CZ 3.45Å; P75-R177 VanDerWaalsContact CA-NH1 3.31Å; P75-R177 VanDerWaalsContact N-CZ 3.32Å
76	E	97	Very high	94.5	Very high	92 Å²	92	42.5 Å²	42.5	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-64.5	-26	-177.3	-67.1	70.7	-160.8	0	0	112.4	C74 F78 S79 A80 L354	C74-E76 VanDerWaalsContact CB-OE2 3.28Å; C74-E76 WeakPolarHBondContact CB-OE2 3.42Å; C74-E76 PolarHBondContact O-N 3.13Å; C74-E76 PolarHBondContact SG-OE2 2.81Å; E76-F78 PolarHBondContact O-N 2.87Å; E76-S79 WeakPolarHBondContact CA-OG 3.31Å; E76-A80 WeakPolarHBondContact O-CB 3.46Å; E76-A80 PolarHBondContact O-N 2.66Å; E76-L354 HydrophobicContact CB-CD1 3.73Å; E76-L354 HydrophobicContact CB-CD2 4.2Å
77	R	97.2	Very high	94.6	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-58.1	-38.5	171.6	-64.3	172.3	67.3	-129.7	-4.1	111.7	L72 E73 C74 P75 T81 E349 G351 L354 L357	L72-R77 WeakPolarHBondContact O-CD 3.47Å; E73-R77 IonicContact OE1-NH1 3.59Å; E73-R77 PolarHBondContact OE1-NH1 3.43Å; C74-R77 WeakPolarHBondContact O-CB 3.3Å; C74-R77 PolarHBondContact O-N 2.77Å; P75-R77 PolarHBondContact O-N 3.07Å; R77-T81 WeakPolarHBondContact O-CB 3.26Å; R77-T81 PolarHBondContact O-OG1 2.79Å; R77-E349 PolarHBondContact NH2-O 3.33Å; R77-G351 PolarHBondContact NE-O 3.4Å; R77-G351 PolarHBondContact NH2-O 3.08Å; R77-L354 HydrophobicContact CB-CD2 4.33Å; R77-L354 HydrophobicContact CG-CD2 3.82Å; R77-L357 HydrophobicContact CB-CD2 3.7Å; R77-L357 HydrophobicContact CG-CD2 3.98Å
78	F	98.1	Very high	94.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-80.1	-52.2	-179.6	-172.6	-76.8	0	0	0	111.1	Y56 D57 M60 L61 P75 E76 T81 I82 L175 R177	Y56-F78 AromaticContact CD2-CE1 3.84Å; Y56-F78 HydrophobicContact CD2-CE1 3.84Å; Y56-F78 AromaticContact CD2-CZ 3.69Å; Y56-F78 HydrophobicContact CD2-CZ 3.69Å; Y56-F78 HydrophobicContact CG-CZ 4.15Å; D57-F78 WeakPolarHBondContact O-CZ 3.46Å; M60-F78 HydrophobicContact CB-CE2 4.18Å; M60-F78 HydrophobicContact SD-CE2 3.91Å; L61-F78 HydrophobicContact CD2-CB 3.9Å; L61-F78 HydrophobicContact CD2-CD1 3.71Å; L61-F78 HydrophobicContact CD2-CE1 4.48Å; L61-F78 HydrophobicContact CD2-CG 4.03Å; L61-F78 HydrophobicContact CG-CD1 4.25Å; P75-F78 WeakPolarHBondContact O-CB 3.08Å; P75-F78 PolarHBondContact O-N 3.04Å; E76-F78 PolarHBondContact O-N 2.87Å; F78-T81 PolarHBondContact O-N 3.12Å; F78-I82 HydrophobicContact CD1-CG1 4.13Å; F78-I82 HydrophobicContact CE1-CG1 4.03Å; F78-I82 PolarHBondContact O-N 3.16Å; F78-L175 HydrophobicContact CD1-CD2 4.15Å; F78-L175 HydrophobicContact CD2-CD2 3.93Å; F78-L175 HydrophobicContact CD2-CG 3.76Å; F78-L175 HydrophobicContact CE1-CD2 4.23Å; F78-L175 HydrophobicContact CE2-CD2 4.02Å; F78-L175 HydrophobicContact CE2-CG 3.89Å; F78-L175 VanDerWaalsContact CE2-O 3.23Å; F78-L175 WeakPolarHBondContact CE2-O 3.28Å; F78-L175 HydrophobicContact CG-CD2 4.02Å; F78-L175 HydrophobicContact CG-CG 4.3Å; F78-L175 HydrophobicContact CZ-CD2 4.19Å; F78-R177 HydrophobicContact CB-CG 4.49Å; F78-R177 HydrophobicContact CD2-CG 4.06Å
79	S	98	Very high	94.8	Very high	44 Å²	44	42.8 Å²	42.8	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-42.2	-177.1	59.1	0	0	0	0	112.6	P75 E76 T81 I82 D83	P75-S79 PolarHBondContact O-N 2.9Å; P75-S79 VanDerWaalsContact O-N 3.09Å; E76-S79 WeakPolarHBondContact CA-OG 3.31Å; S79-T81 PolarHBondContact O-N 3.1Å; S79-I82 PolarHBondContact O-N 3.21Å; S79-D83 WeakPolarHBondContact O-CB 3.28Å; S79-D83 VanDerWaalsContact O-CG 3.32Å; S79-D83 PolarHBondContact O-N 3.37Å
80	A	98.1	Very high	95.2	Very high	23 Å²	23	37.9 Å²	37.9	19%	0.19	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-34.6	176.9	0	0	0	0	0	112.1	E76 K84 L354	E76-A80 WeakPolarHBondContact O-CB 3.46Å; E76-A80 PolarHBondContact O-N 2.66Å; A80-K84 VanDerWaalsContact O-CB 3.3Å; A80-K84 WeakPolarHBondContact O-CB 3.33Å; A80-K84 PolarHBondContact O-N 2.74Å; A80-L354 HydrophobicContact CB-CB 4.46Å
81	T	98.3	Very high	95.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.7	-45	177.1	-62.3	0	0	0	0	111.8	R77 F78 S79 K84 C85 L175 V361	R77-T81 WeakPolarHBondContact O-CB 3.26Å; R77-T81 PolarHBondContact O-OG1 2.79Å; F78-T81 PolarHBondContact O-N 3.12Å; S79-T81 PolarHBondContact O-N 3.1Å; T81-K84 PolarHBondContact O-N 2.82Å; T81-C85 WeakPolarHBondContact O-CB 3.39Å; T81-C85 PolarHBondContact O-N 2.77Å; T81-C85 PolarHBondContact O-SG 3.08Å; T81-L175 HydrophobicContact CG2-CD1 3.67Å; T81-L175 HydrophobicContact CG2-CD2 4.16Å; T81-V361 HydrophobicContact CG2-CB 3.72Å; T81-V361 HydrophobicContact CG2-CG1 3.39Å; T81-V361 HydrophobicContact CG2-CG2 3.98Å
82	I	98.2	Very high	96	Very high	21 Å²	21	36.4 Å²	36.4	11%	0.108	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-48.3	173.6	-68.1	-64.7	0	0	0	110.9	F54 Y56 F78 S79 K84 C85 T86 L91 L175	F54-I82 HydrophobicContact CE1-CD1 3.63Å; F54-I82 HydrophobicContact CZ-CD1 4.2Å; Y56-I82 HydrophobicContact CD1-CD1 4.06Å; Y56-I82 HydrophobicContact CD2-CD1 3.77Å; Y56-I82 HydrophobicContact CD2-CG1 4.42Å; Y56-I82 HydrophobicContact CE1-CD1 4.1Å; Y56-I82 HydrophobicContact CE2-CD1 3.86Å; Y56-I82 HydrophobicContact CE2-CG1 4.47Å; Y56-I82 HydrophobicContact CG-CD1 3.86Å; F78-I82 HydrophobicContact CD1-CG1 4.13Å; F78-I82 HydrophobicContact CE1-CG1 4.03Å; F78-I82 PolarHBondContact O-N 3.16Å; S79-I82 PolarHBondContact O-N 3.21Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.15Å; I82-C85 PolarHBondContact O-N 3.3Å; I82-T86 VanDerWaalsContact O-CB 3.28Å; I82-T86 WeakPolarHBondContact O-CB 3.46Å; I82-T86 PolarHBondContact O-N 3.08Å; I82-T86 PolarHBondContact O-OG1 2.64Å; I82-L91 HydrophobicContact CD1-CD1 4.12Å; I82-L91 HydrophobicContact CG2-CD1 4.24Å; I82-L175 HydrophobicContact CD1-CD2 3.46Å; I82-L175 VanDerWaalsContact CD1-CD2 3.46Å; I82-L175 HydrophobicContact CG1-CD2 3.6Å
83	D	97.8	Very high	96	Very high	100 Å²	100	38.1 Å²	38.1	54%	0.535	22%	0.217	S	C	.	.	H	α-helix	trans	-60.4	-44	-179.5	-72.9	-16.9	0	0	0	111.4	S79 T87	S79-D83 WeakPolarHBondContact O-CB 3.28Å; S79-D83 VanDerWaalsContact O-CG 3.32Å; S79-D83 PolarHBondContact O-N 3.37Å; D83-T87 WeakPolarHBondContact O-CB 3.25Å; D83-T87 PolarHBondContact O-N 2.68Å; D83-T87 PolarHBondContact O-OG1 3.03Å
84	K	95.9	Very high	96.1	Very high	32 Å²	32	38.8 Å²	38.8	14%	0.139	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-51.1	178.2	-166.5	74.3	60.8	158.5	0	111.9	A80 T81 I82 T86 T87 Y88 S358 E359	A80-K84 VanDerWaalsContact O-CB 3.3Å; A80-K84 WeakPolarHBondContact O-CB 3.33Å; A80-K84 PolarHBondContact O-N 2.74Å; T81-K84 PolarHBondContact O-N 2.82Å; I82-K84 VanDerWaalsContact C-N 3.34Å; I82-K84 PolarHBondContact O-N 3.15Å; K84-T86 VanDerWaalsContact C-N 3.26Å; K84-T86 PolarHBondContact O-N 3.21Å; K84-T87 WeakPolarHBondContact O-CB 3.31Å; K84-T87 PolarHBondContact O-N 3.15Å; K84-T87 VanDerWaalsContact O-N 3.13Å; K84-Y88 HydrophobicContact CD-CD2 4.29Å; K84-Y88 HydrophobicContact CD-CE2 3.51Å; K84-Y88 HydrophobicContact CG-CD2 3.91Å; K84-Y88 HydrophobicContact CG-CE2 3.48Å; K84-Y88 VanDerWaalsContact CG-CE2 3.48Å; K84-Y88 WeakPolarHBondContact O-CD2 3.28Å; K84-Y88 PolarHBondContact O-N 2.9Å; K84-S358 VanDerWaalsContact CE-OG 3.26Å; K84-S358 WeakPolarHBondContact CE-OG 3.4Å; K84-E359 IonicContact NZ-OE2 3.73Å
85	C	96.6	Very high	96.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-33.8	-179.5	-66	0	0	0	0	111.9	T81 I82 G89 L90 L91 L365	T81-C85 WeakPolarHBondContact O-CB 3.39Å; T81-C85 PolarHBondContact O-N 2.77Å; T81-C85 PolarHBondContact O-SG 3.08Å; I82-C85 PolarHBondContact O-N 3.3Å; C85-G89 PolarHBondContact O-N 3.33Å; C85-L90 HydrophobicContact CB-CB 4.44Å; C85-L90 PolarHBondContact O-N 3.02Å; C85-L91 HydrophobicContact CB-CD1 4.31Å; C85-L91 HydrophobicContact CB-CD2 3.66Å; C85-L91 HydrophobicContact CB-CG 3.67Å; C85-L365 HydrophobicContact CB-CD2 4.29Å
86	T	96.2	Very high	96.2	Very high	81 Å²	81	44.2 Å²	44.2	50%	0.497	25%	0.248	S	C	.	.	H	α-helix	trans	-66.3	-46.4	172.2	-59	0	0	0	0	111.3	I82 K84 Y88 G89 L91	I82-T86 VanDerWaalsContact O-CB 3.28Å; I82-T86 WeakPolarHBondContact O-CB 3.46Å; I82-T86 PolarHBondContact O-N 3.08Å; I82-T86 PolarHBondContact O-OG1 2.64Å; K84-T86 VanDerWaalsContact C-N 3.26Å; K84-T86 PolarHBondContact O-N 3.21Å; T86-Y88 VanDerWaalsContact C-N 3.3Å; T86-Y88 PolarHBondContact O-N 3.48Å; T86-G89 PolarHBondContact O-N 2.86Å; T86-L91 WeakPolarHBondContact OG1-CD1 3.44Å
87	T	94.5	Very high	96.3	Very high	112 Å²	112	41.4 Å²	41.4	69%	0.687	24%	0.235	S	C	*	.	H	α-helix	trans	-59.8	-39.6	-179.8	-62	0	0	0	0	112	D83 K84 G89	D83-T87 WeakPolarHBondContact O-CB 3.25Å; D83-T87 PolarHBondContact O-N 2.68Å; D83-T87 PolarHBondContact O-OG1 3.03Å; K84-T87 WeakPolarHBondContact O-CB 3.31Å; K84-T87 PolarHBondContact O-N 3.15Å; K84-T87 VanDerWaalsContact O-N 3.13Å; T87-G89 VanDerWaalsContact C-N 3.27Å; T87-G89 PolarHBondContact O-N 3.21Å
88	Y	93.9	Very high	96.3	Very high	51 Å²	51	46.3 Å²	46.3	20%	0.2	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-5.9	175.3	-64.3	-40.8	0	0	0	114.1	K84 T86 L90 E359 K458 I463	K84-Y88 HydrophobicContact CD-CD2 4.29Å; K84-Y88 HydrophobicContact CD-CE2 3.51Å; K84-Y88 HydrophobicContact CG-CD2 3.91Å; K84-Y88 HydrophobicContact CG-CE2 3.48Å; K84-Y88 VanDerWaalsContact CG-CE2 3.48Å; K84-Y88 WeakPolarHBondContact O-CD2 3.28Å; K84-Y88 PolarHBondContact O-N 2.9Å; T86-Y88 VanDerWaalsContact C-N 3.3Å; T86-Y88 PolarHBondContact O-N 3.48Å; Y88-L90 VanDerWaalsContact C-N 3.32Å; Y88-E359 VanDerWaalsContact OH-CD 3.29Å; Y88-E359 PolarHBondContact OH-OE1 2.94Å; Y88-E359 PolarHBondContact OH-OE2 2.55Å; Y88-K458 VanDerWaalsContact OH-CE 3.26Å; Y88-K458 WeakPolarHBondContact OH-CE 3.38Å; Y88-I463 HydrophobicContact CD2-CD1 3.55Å; Y88-I463 HydrophobicContact CE2-CD1 3.33Å; Y88-I463 HydrophobicContact CE2-CG1 4.46Å
89	G	93.7	Very high	96.2	Very high	16 Å²	16	46.2 Å²	46.2	17%	0.165	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	26.2	-178.6	0	0	0	0	0	113.7	C85 T86 T87 S92 R93	C85-G89 PolarHBondContact O-N 3.33Å; T86-G89 PolarHBondContact O-N 2.86Å; T87-G89 VanDerWaalsContact C-N 3.27Å; T87-G89 PolarHBondContact O-N 3.21Å; G89-S92 PolarHBondContact O-OG 2.65Å; G89-S92 VanDerWaalsContact O-OG 3.05Å; G89-R93 WeakPolarHBondContact O-CD 3.34Å
90	L	95.1	Very high	96.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.			trans	-79.5	-42.6	178.1	-57.9	176.9	0	0	0	111.1	C85 Y88 S92 R93 C94 G362 L365 L369 I463	C85-L90 HydrophobicContact CB-CB 4.44Å; C85-L90 PolarHBondContact O-N 3.02Å; Y88-L90 VanDerWaalsContact C-N 3.32Å; L90-S92 VanDerWaalsContact C-N 3.27Å; L90-S92 PolarHBondContact O-N 3.43Å; L90-R93 WeakPolarHBondContact O-CB 3.39Å; L90-R93 PolarHBondContact O-N 2.96Å; L90-C94 PolarHBondContact O-SG 3.03Å; L90-G362 VanDerWaalsContact CD1-O 3.3Å; L90-G362 WeakPolarHBondContact CD1-O 3.42Å; L90-L365 HydrophobicContact CB-CD2 3.67Å; L90-L365 HydrophobicContact CB-CG 4.24Å; L90-L365 HydrophobicContact CD1-CB 4.3Å; L90-L365 HydrophobicContact CD1-CD2 4.24Å; L90-L365 HydrophobicContact CD1-CG 4.46Å; L90-L369 HydrophobicContact CB-CD1 4.11Å; L90-L369 HydrophobicContact CD2-CD1 3.98Å; L90-I463 HydrophobicContact CD1-CG2 4.35Å; L90-I463 HydrophobicContact CD2-CG2 4.36Å
91	L	94.9	Very high	96.3	Very high	15 Å²	15	51 Å²	51	8%	0.079	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.4	-34	-179	-63	-165.8	0	0	0	112.6	F54 I82 C85 T86 R93 C94 I96 L365	F54-L91 HydrophobicContact CB-CD2 4.41Å; F54-L91 HydrophobicContact CD1-CD2 3.6Å; F54-L91 HydrophobicContact CD2-CD2 3.76Å; F54-L91 HydrophobicContact CE1-CD2 3.7Å; F54-L91 HydrophobicContact CE2-CD2 3.83Å; F54-L91 HydrophobicContact CG-CD2 3.64Å; F54-L91 HydrophobicContact CZ-CD2 3.8Å; I82-L91 HydrophobicContact CD1-CD1 4.12Å; I82-L91 HydrophobicContact CG2-CD1 4.24Å; C85-L91 HydrophobicContact CB-CD1 4.31Å; C85-L91 HydrophobicContact CB-CD2 3.66Å; C85-L91 HydrophobicContact CB-CG 3.67Å; T86-L91 WeakPolarHBondContact OG1-CD1 3.44Å; L91-R93 PolarHBondContact O-N 2.96Å; L91-R93 VanDerWaalsContact O-N 3.15Å; L91-C94 PolarHBondContact O-N 2.89Å; L91-C94 VanDerWaalsContact O-N 3.08Å; L91-I96 HydrophobicContact CB-CD1 4.28Å; L91-L365 HydrophobicContact CD2-CD2 3.99Å
92	S	94.1	Very high	96.3	Very high	97 Å²	97	51.2 Å²	51.2	68%	0.678	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-69.1	-9.4	177.7	60.5	0	0	0	0	114.1	G89 L90	G89-S92 PolarHBondContact O-OG 2.65Å; G89-S92 VanDerWaalsContact O-OG 3.05Å; L90-S92 VanDerWaalsContact C-N 3.27Å; L90-S92 PolarHBondContact O-N 3.43Å
93	R	93.2	Very high	96.3	Very high	76 Å²	76	53.5 Å²	53.5	29%	0.287	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-101.6	-5	175.2	-60	165.4	56.8	-169.4	1.7	112.6	G89 L90 L91 L369 D371	G89-R93 WeakPolarHBondContact O-CD 3.34Å; L90-R93 WeakPolarHBondContact O-CB 3.39Å; L90-R93 PolarHBondContact O-N 2.96Å; L91-R93 PolarHBondContact O-N 2.96Å; L91-R93 VanDerWaalsContact O-N 3.15Å; R93-L369 HydrophobicContact CB-CD1 4.22Å; R93-L369 HydrophobicContact CB-CD2 3.85Å; R93-D371 IonicContact CZ-OD1 3.51Å; R93-D371 VanDerWaalsContact CZ-OD1 3.28Å; R93-D371 IonicContact CZ-OD2 3.9Å; R93-D371 VanDerWaalsContact NH1-CG 3.3Å; R93-D371 IonicContact NH1-OD1 3.9Å; R93-D371 PolarHBondContact NH1-OD1 2.95Å; R93-D371 IonicContact NH1-OD2 3.51Å; R93-D371 PolarHBondContact NH1-OD2 3.24Å; R93-D371 IonicContact NH2-OD1 3.69Å; R93-D371 PolarHBondContact NH2-OD1 3.11Å; R93-D371 IonicContact NH2-OD2 3.68Å
94	C	95.9	Very high	96.3	Very high	16 Å²	16	51.3 Å²	51.3	11%	0.108	28%	0.283	C	S	.	.	S	Bend	trans	-99.8	154	-178.8	-59.5	0	0	0	0	111.4	T52 F54 L90 L91 I96	T52-C94 CarbonylContact O-C 3.52Å; T52-C94 VanDerWaalsContact O-CA 3.25Å; T52-C94 WeakPolarHBondContact O-CA 3.45Å; T52-C94 WeakPolarHBondContact O-CB 3.5Å; F54-C94 HydrophobicContact CB-CB 3.66Å; L90-C94 PolarHBondContact O-SG 3.03Å; L91-C94 PolarHBondContact O-N 2.89Å; L91-C94 VanDerWaalsContact O-N 3.08Å; C94-I96 HydrophobicContact CB-CD1 4.01Å; C94-I96 PolarHBondContact O-N 3.19Å
95	L	96.7	Very high	96.4	Very high	83 Å²	83	56 Å²	56	44%	0.435	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	107.5	160.7	178.4	63.7	0	0	0	108.3	T52 A53 F54 I97 V169	T52-L95 PolarHBondContact O-N 3.39Å; A53-L95 CarbonylContact C-O 3.45Å; A53-L95 WeakPolarHBondContact CA-O 3.38Å; F54-L95 PolarHBondContact N-O 3.22Å; L95-I97 HydrophobicContact CD1-CD1 4.4Å; L95-I97 HydrophobicContact CD2-CD1 3.92Å; L95-I97 HydrophobicContact CD2-CG1 4.49Å; L95-I97 HydrophobicContact CG-CD1 3.8Å; L95-I97 HydrophobicContact CG-CG1 4.23Å; L95-V169 HydrophobicContact CB-CG1 4.35Å; L95-V169 HydrophobicContact CD2-CG1 3.59Å
96	I	97.8	Very high	96.5	Very high	67 Å²	67	58.8 Å²	58.8	34%	0.344	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.2	179.2	-54.7	-53.2	0	0	0	110	F54 Y56 L91 C94	F54-I96 HydrophobicContact CB-CD1 3.9Å; F54-I96 HydrophobicContact CD1-CD1 4.39Å; F54-I96 WeakPolarHBondContact O-CA 3.43Å; Y56-I96 HydrophobicContact CD1-CG2 4.24Å; Y56-I96 HydrophobicContact CE1-CG2 3.56Å; L91-I96 HydrophobicContact CB-CD1 4.28Å; C94-I96 HydrophobicContact CB-CD1 4.01Å; C94-I96 PolarHBondContact O-N 3.19Å
97	I	97.9	Very high	96.6	Very high	32 Å²	32	54.9 Å²	54.9	16%	0.164	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.9	179.7	-56.2	-66.4	0	0	0	109.3	F54 I55 Y56 L95 Q159 L163	F54-I97 PolarHBondContact O-N 3.2Å; F54-I97 VanDerWaalsContact O-N 3.08Å; I55-I97 WeakPolarHBondContact CA-O 3.47Å; I55-I97 HydrophobicContact CB-CB 4.39Å; I55-I97 HydrophobicContact CD1-CB 4.43Å; I55-I97 HydrophobicContact CG1-CB 4.01Å; I55-I97 HydrophobicContact CG1-CG1 4.41Å; I55-I97 HydrophobicContact CG2-CB 4.11Å; I55-I97 HydrophobicContact CG2-CG2 4.09Å; Y56-I97 PolarHBondContact N-O 2.78Å; Y56-I97 VanDerWaalsContact N-O 3.16Å; L95-I97 HydrophobicContact CD1-CD1 4.4Å; L95-I97 HydrophobicContact CD2-CD1 3.92Å; L95-I97 HydrophobicContact CD2-CG1 4.49Å; L95-I97 HydrophobicContact CG-CD1 3.8Å; L95-I97 HydrophobicContact CG-CG1 4.23Å; I97-Q159 VanDerWaalsContact CG2-OE1 3.29Å; I97-L163 HydrophobicContact CD1-CD1 4.17Å; I97-L163 HydrophobicContact CG1-CD1 3.82Å
98	N	97	Very high	96.8	Very high	104 Å²	104	52.5 Å²	52.5	56%	0.556	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-90.3	117.5	166.5	-64.8	-48.8	0	0	0	108.2	Y56	Y56-N98 PolarHBondContact O-OD1 3.36Å
99	P	97.5	Very high	97	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-70.2	150.1	-179.8	31.8	-38.5	0	0	0	112.3	I55 Y56 D57 R59 M60 L152 S156	I55-P99 HydrophobicContact CG2-CB 4Å; I55-P99 HydrophobicContact CG2-CG 4.19Å; Y56-P99 WeakPolarHBondContact O-CD 3.46Å; D57-P99 HydrophobicContact CB-CG 3.88Å; R59-P99 PolarHBondContact NH2-O 2.63Å; M60-P99 HydrophobicContact CE-CG 3.9Å; P99-L152 HydrophobicContact CG-CD2 4.22Å; P99-L152 VanDerWaalsContact O-CD2 3.27Å; P99-L152 WeakPolarHBondContact O-CD2 3.31Å; P99-S156 WeakPolarHBondContact CB-OG 3.49Å; P99-S156 WeakPolarHBondContact CG-OG 3.38Å
100	E	97.8	Very high	97.2	Very high	126 Å²	126	51.4 Å²	51.4	59%	0.589	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-89.5	142.6	166.8	-70.1	-59	150.7	0	0	109.1	A102 G155	E100-A102 PolarHBondContact O-N 3.31Å; E100-G155 WeakPolarHBondContact O-CA 3.48Å
101	P	98.5	Very high	97.4	Very high	41 Å²	41	51.7 Å²	51.7	27%	0.266	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-58.7	131.3	175	-19.4	30.1	0	0	0	111.2	T103 L148 R151 L152	P101-T103 PolarHBondContact O-N 3.23Å; P101-L148 HydrophobicContact CB-CD1 4.32Å; P101-L148 HydrophobicContact CG-CD1 3.82Å; P101-R151 HydrophobicContact CB-CB 3.81Å; P101-L152 HydrophobicContact CB-CD2 4.39Å; P101-L152 HydrophobicContact CG-CD2 3.76Å; P101-L152 HydrophobicContact CG-CG 4.17Å
102	A	98.6	Very high	97.6	Very high	5 Å²	5	55.2 Å²	55.2	4%	0.041	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-57.6	131.6	174	0	0	0	0	0	111.6	E100 F106 L107 R151 V154	E100-A102 PolarHBondContact O-N 3.31Å; A102-F106 HydrophobicContact CB-CB 4.23Å; A102-L107 HydrophobicContact CB-CD2 4.2Å; A102-R151 WeakPolarHBondContact CB-O 3.45Å; A102-R151 PolarHBondContact N-O 2.79Å; A102-R151 PolarHBondContact O-NH1 3Å; A102-V154 HydrophobicContact CB-CB 3.76Å; A102-V154 HydrophobicContact CB-CG1 3.61Å
103	T	98.3	Very high	97.8	Very high	70 Å²	70	54.4 Å²	54.4	43%	0.429	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-72.1	165.2	170.1	62.8	0	0	0	0	110.6	P101 D105 F106 L107	P101-T103 PolarHBondContact O-N 3.23Å; T103-D105 PolarHBondContact O-N 3.24Å; T103-F106 PolarHBondContact O-N 2.92Å; T103-F106 VanDerWaalsContact O-N 3.11Å; T103-F106 VanDerWaalsContact OG1-CD2 3.28Å; T103-F106 WeakPolarHBondContact OG1-CD2 3.44Å; T103-L107 PolarHBondContact O-N 2.97Å
104	D	98.5	Very high	98	Very high	54 Å²	54	57.3 Å²	57.3	29%	0.289	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-29.4	178.3	-55	-34.6	0	0	0	112.7	F106 L107 T108 K120 R151	D104-F106 PolarHBondContact O-N 2.86Å; D104-L107 PolarHBondContact O-N 3.2Å; D104-L107 VanDerWaalsContact O-N 3.13Å; D104-T108 WeakPolarHBondContact O-CB 3.47Å; D104-T108 WeakPolarHBondContact O-CG2 3.34Å; D104-T108 PolarHBondContact O-N 3.2Å; D104-T108 PolarHBondContact O-OG1 3.33Å; D104-K120 VanDerWaalsContact CG-CE 3.48Å; D104-K120 WeakPolarHBondContact OD1-CE 3.45Å; D104-K120 IonicContact OD1-NZ 3.34Å; D104-K120 PolarHBondContact OD1-NZ 3.45Å; D104-K120 VanDerWaalsContact OD2-CE 3.29Å; D104-K120 WeakPolarHBondContact OD2-CE 3.21Å; D104-K120 IonicContact OD2-NZ 2.63Å; D104-K120 PolarHBondContact OD2-NZ 3.38Å; D104-R151 IonicContact OD1-CZ 3.21Å; D104-R151 VanDerWaalsContact OD1-CZ 3.25Å; D104-R151 IonicContact OD1-NH1 2.81Å; D104-R151 PolarHBondContact OD1-NH1 2.81Å; D104-R151 IonicContact OD1-NH2 2.77Å; D104-R151 PolarHBondContact OD1-NH2 3.29Å
105	D	98	Very high	98.2	Very high	131 Å²	131	56.9 Å²	56.9	70%	0.701	30%	0.297	S	S	*	.	H	α-helix	trans	-60.1	-33.4	175.1	-67	-13.9	0	0	0	112	T103 T108	T103-D105 PolarHBondContact O-N 3.24Å; D105-T108 WeakPolarHBondContact CA-OG1 3.24Å; D105-T108 PolarHBondContact O-OG1 3.04Å; D105-T108 VanDerWaalsContact O-OG1 3.12Å
106	F	98.4	Very high	98.2	Very high	57 Å²	57	53 Å²	53	25%	0.25	28%	0.277	C	S	.	.	H	α-helix	trans	-76.9	-41.5	172.9	-70.6	-62.2	0	0	0	111.8	A102 T103 D104 T108 L109 I158 I199 Y203	A102-F106 HydrophobicContact CB-CB 4.23Å; T103-F106 PolarHBondContact O-N 2.92Å; T103-F106 VanDerWaalsContact O-N 3.11Å; T103-F106 VanDerWaalsContact OG1-CD2 3.28Å; T103-F106 WeakPolarHBondContact OG1-CD2 3.44Å; D104-F106 PolarHBondContact O-N 2.86Å; F106-T108 VanDerWaalsContact C-N 3.28Å; F106-T108 PolarHBondContact O-N 2.68Å; F106-L109 HydrophobicContact CD1-CD1 4.22Å; F106-L109 VanDerWaalsContact O-CB 3.28Å; F106-L109 WeakPolarHBondContact O-CB 3.23Å; F106-L109 WeakPolarHBondContact O-CG 3.37Å; F106-L109 PolarHBondContact O-N 3.49Å; F106-I158 HydrophobicContact CD1-CD1 3.86Å; F106-I158 HydrophobicContact CD1-CG1 4.13Å; F106-I158 HydrophobicContact CD1-CG2 4.19Å; F106-I158 HydrophobicContact CE1-CD1 4.29Å; F106-I158 HydrophobicContact CE1-CG2 3.76Å; F106-I158 HydrophobicContact CE2-CG2 4.37Å; F106-I158 HydrophobicContact CG-CD1 4.49Å; F106-I158 HydrophobicContact CG-CG1 4.34Å; F106-I158 HydrophobicContact CZ-CG2 3.86Å; F106-I199 VanDerWaalsContact O-CG2 3.32Å; F106-I199 WeakPolarHBondContact O-CG2 3.45Å; F106-Y203 HydrophobicContact CD1-CD2 4.12Å; F106-Y203 HydrophobicContact CD1-CE2 4.45Å; F106-Y203 AromaticContact CE1-CD2 3.74Å; F106-Y203 HydrophobicContact CE1-CD2 3.74Å; F106-Y203 AromaticContact CE1-CE2 3.62Å; F106-Y203 HydrophobicContact CE1-CE2 3.62Å
107	L	98.7	Very high	98.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-35.8	-179.2	-61.3	-179.8	0	0	0	112.2	A102 T103 D104 L109 Y110 H111 I116 R151 V154 Y194 I199	A102-L107 HydrophobicContact CB-CD2 4.2Å; T103-L107 PolarHBondContact O-N 2.97Å; D104-L107 PolarHBondContact O-N 3.2Å; D104-L107 VanDerWaalsContact O-N 3.13Å; L107-L109 PolarHBondContact O-N 2.82Å; L107-Y110 PolarHBondContact O-N 3.47Å; L107-H111 PolarHBondContact O-N 2.89Å; L107-I116 HydrophobicContact CB-CD1 3.52Å; L107-I116 HydrophobicContact CB-CG1 3.96Å; L107-I116 HydrophobicContact CD1-CG1 4.3Å; L107-I116 HydrophobicContact CD1-CG2 3.9Å; L107-R151 HydrophobicContact CD1-CG 4.33Å; L107-V154 HydrophobicContact CD2-CB 4.29Å; L107-V154 HydrophobicContact CD2-CG1 4.18Å; L107-V154 HydrophobicContact CD2-CG2 3.92Å; L107-Y194 HydrophobicContact CD1-CD2 4.42Å; L107-Y194 HydrophobicContact CD1-CE1 4.02Å; L107-Y194 HydrophobicContact CD1-CE2 3.81Å; L107-Y194 HydrophobicContact CD2-CD1 4.17Å; L107-Y194 HydrophobicContact CD2-CD2 3.75Å; L107-Y194 HydrophobicContact CD2-CE1 4.37Å; L107-Y194 HydrophobicContact CD2-CE2 4Å; L107-Y194 HydrophobicContact CD2-CG 3.86Å; L107-I199 HydrophobicContact CD2-CD1 4.11Å
108	T	98.5	Very high	98.2	Very high	61 Å²	61	55.8 Å²	55.8	37%	0.374	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-6.7	178.4	49.7	0	0	0	0	114.3	D104 D105 F106 Y110 I116	D104-T108 WeakPolarHBondContact O-CB 3.47Å; D104-T108 WeakPolarHBondContact O-CG2 3.34Å; D104-T108 PolarHBondContact O-N 3.2Å; D104-T108 PolarHBondContact O-OG1 3.33Å; D105-T108 WeakPolarHBondContact CA-OG1 3.24Å; D105-T108 PolarHBondContact O-OG1 3.04Å; D105-T108 VanDerWaalsContact O-OG1 3.12Å; F106-T108 VanDerWaalsContact C-N 3.28Å; F106-T108 PolarHBondContact O-N 2.68Å; T108-Y110 PolarHBondContact O-N 3.06Å; T108-I116 HydrophobicContact CG2-CD1 3.57Å
109	L	98.4	Very high	98.3	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.089	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.8	167.7	-65.6	172	0	0	0	112.7	F106 L107 I199 N202 Y203 E206	F106-L109 HydrophobicContact CD1-CD1 4.22Å; F106-L109 VanDerWaalsContact O-CB 3.28Å; F106-L109 WeakPolarHBondContact O-CB 3.23Å; F106-L109 WeakPolarHBondContact O-CG 3.37Å; F106-L109 PolarHBondContact O-N 3.49Å; L107-L109 PolarHBondContact O-N 2.82Å; L109-I199 HydrophobicContact CD1-CG2 4.34Å; L109-N202 HydrophobicContact CB-CB 4.06Å; L109-N202 PolarHBondContact O-ND2 3.37Å; L109-Y203 HydrophobicContact CD1-CD2 4.28Å; L109-Y203 HydrophobicContact CD1-CG 4.5Å; L109-E206 VanDerWaalsContact CD2-OE2 3.25Å; L109-E206 WeakPolarHBondContact CD2-OE2 3.37Å
110	Y	98.5	Very high	98.3	Very high	27 Å²	27	53.2 Å²	53.2	11%	0.106	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.1	-41.1	175.1	179.5	-108	0	0	0	113.4	L107 T108 T185 N195 A198 T225 A229	L107-Y110 PolarHBondContact O-N 3.47Å; T108-Y110 PolarHBondContact O-N 3.06Å; Y110-T185 HydrophobicContact CD1-CG2 4.48Å; Y110-T185 HydrophobicContact CD2-CG2 4.26Å; Y110-T185 HydrophobicContact CE1-CG2 4Å; Y110-T185 HydrophobicContact CE2-CG2 3.73Å; Y110-N195 HydrophobicContact CD1-CB 3.86Å; Y110-N195 HydrophobicContact CE1-CB 3.71Å; Y110-A198 HydrophobicContact CD1-CB 4.49Å; Y110-A198 HydrophobicContact CD2-CB 4.09Å; Y110-A198 HydrophobicContact CE2-CB 4.35Å; Y110-A198 HydrophobicContact CG-CB 4.15Å; Y110-T225 PolarHBondContact OH-O 3.39Å; Y110-T225 VanDerWaalsContact OH-O 3.14Å; Y110-A229 HydrophobicContact CD2-CB 3.97Å; Y110-A229 HydrophobicContact CE2-CB 3.43Å; Y110-A229 VanDerWaalsContact CE2-CB 3.43Å
111	H	98.7	Very high	98.3	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.028	27%	0.267	C	S	.	.	S	Bend	trans	-87.2	148.9	-174.3	-66.4	-71.4	0	0	0	113	L107 Y115 I116 L184 T185 Y194 N195	L107-H111 PolarHBondContact O-N 2.89Å; H111-Y115 HydrophobicContact CB-CD1 4.08Å; H111-Y115 AromaticContact ND1-CD1 3.68Å; H111-Y115 AromaticContact ND1-CE1 3.61Å; H111-I116 HydrophobicContact CB-CD1 4.07Å; H111-I116 HydrophobicContact CB-CG1 3.96Å; H111-L184 PolarHBondContact CE1-O 3.35Å; H111-L184 PolarHBondContact ND1-O 3.38Å; H111-L184 VanDerWaalsContact ND1-O 3.08Å; H111-T185 WeakPolarHBondContact CA-O 3.43Å; H111-Y194 AromaticContact CD2-CD1 3.61Å; H111-Y194 WeakPolarHBondContact NE2-CA 3.29Å; H111-Y194 AromaticContact NE2-CD1 3.72Å; H111-N195 PolarHBondContact NE2-N 3.32Å
112	Q	98.4	Very high	98.2	Very high	89 Å²	89	50.2 Å²	50.2	42%	0.416	25%	0.254	S	S	.	.			trans	-67.4	142.2	171.3	-65.8	178.5	2.9	0	0	110.6	E114 Y115 I116 T185 N186	Q112-E114 VanDerWaalsContact C-N 3.26Å; Q112-E114 PolarHBondContact O-N 2.97Å; Q112-Y115 PolarHBondContact O-N 3.25Å; Q112-Y115 VanDerWaalsContact O-N 3.14Å; Q112-I116 PolarHBondContact O-N 2.97Å; Q112-I116 VanDerWaalsContact O-N 3.12Å; Q112-T185 PolarHBondContact N-O 3.24Å; Q112-N186 HydrophobicContact CG-CB 4.46Å
113	T	98.5	Very high	98.1	Very high	80 Å²	80	52.9 Å²	52.9	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-58.7	-38.9	179.6	-54.7	0	0	0	0	111.8	Y115 I116 E117	T113-Y115 VanDerWaalsContact C-N 3.3Å; T113-Y115 PolarHBondContact O-N 3.36Å; T113-I116 PolarHBondContact O-N 2.98Å; T113-E117 WeakPolarHBondContact O-CG 3.25Å; T113-E117 PolarHBondContact O-N 2.9Å
114	E	98.3	Very high	98.1	Very high	138 Å²	138	55 Å²	55	65%	0.645	28%	0.283	S	S	*	.	H	α-helix	trans	-61.8	-38.7	178.7	-63.7	74.1	-163.6	0	0	112.2	Q112 Q118	Q112-E114 VanDerWaalsContact C-N 3.26Å; Q112-E114 PolarHBondContact O-N 2.97Å; E114-Q118 PolarHBondContact O-N 3.45Å
115	Y	98.4	Very high	98	Very high	6 Å²	6	54.6 Å²	54.6	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-69.8	-43.1	176.8	173.3	-111.5	0	0	0	111.6	H111 Q112 T113 E117 Q118 I119 N186 A188 I193 Y194	H111-Y115 HydrophobicContact CB-CD1 4.08Å; H111-Y115 AromaticContact ND1-CD1 3.68Å; H111-Y115 AromaticContact ND1-CE1 3.61Å; Q112-Y115 PolarHBondContact O-N 3.25Å; Q112-Y115 VanDerWaalsContact O-N 3.14Å; T113-Y115 VanDerWaalsContact C-N 3.3Å; T113-Y115 PolarHBondContact O-N 3.36Å; Y115-E117 VanDerWaalsContact C-N 3.29Å; Y115-E117 PolarHBondContact O-N 2.91Å; Y115-Q118 WeakPolarHBondContact O-CB 3.39Å; Y115-Q118 PolarHBondContact O-N 2.78Å; Y115-Q118 VanDerWaalsContact O-N 3.1Å; Y115-I119 HydrophobicContact CD2-CD1 4.39Å; Y115-I119 HydrophobicContact CD2-CG1 4.23Å; Y115-I119 HydrophobicContact CE1-CG1 4.05Å; Y115-I119 HydrophobicContact CE2-CD1 3.62Å; Y115-I119 HydrophobicContact CE2-CG1 3.73Å; Y115-I119 WeakPolarHBondContact O-CG1 3.34Å; Y115-I119 PolarHBondContact O-N 3.4Å; Y115-N186 VanDerWaalsContact CD2-O 3.31Å; Y115-N186 WeakPolarHBondContact CD2-O 3.34Å; Y115-A188 WeakPolarHBondContact OH-CA 3.39Å; Y115-A188 VanDerWaalsContact OH-CB 3.28Å; Y115-A188 WeakPolarHBondContact OH-CB 3.28Å; Y115-A188 PolarHBondContact OH-N 2.87Å; Y115-A188 VanDerWaalsContact OH-N 3.15Å; Y115-I193 PolarHBondContact OH-O 3.16Å; Y115-Y194 HydrophobicContact CD1-CE1 4.46Å; Y115-Y194 HydrophobicContact CE1-CD1 4.03Å; Y115-Y194 HydrophobicContact CE1-CE1 4.01Å
116	I	98.6	Very high	97.9	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-43.8	174.9	-64.3	162	0	0	0	110.6	L107 T108 H111 Q112 T113 I119 K120 Y194	L107-I116 HydrophobicContact CB-CD1 3.52Å; L107-I116 HydrophobicContact CB-CG1 3.96Å; L107-I116 HydrophobicContact CD1-CG1 4.3Å; L107-I116 HydrophobicContact CD1-CG2 3.9Å; T108-I116 HydrophobicContact CG2-CD1 3.57Å; H111-I116 HydrophobicContact CB-CD1 4.07Å; H111-I116 HydrophobicContact CB-CG1 3.96Å; Q112-I116 PolarHBondContact O-N 2.97Å; Q112-I116 VanDerWaalsContact O-N 3.12Å; T113-I116 PolarHBondContact O-N 2.98Å; I116-I119 PolarHBondContact O-N 3.49Å; I116-K120 WeakPolarHBondContact O-CG 3.32Å; I116-K120 PolarHBondContact O-N 3.44Å; I116-Y194 HydrophobicContact CG1-CE1 4.29Å
117	E	98.2	Very high	97.7	Very high	79 Å²	79	56.5 Å²	56.5	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-38.5	175.6	-70.1	-55.7	133	0	0	112.5	T113 Y115 K120 Q121	T113-E117 WeakPolarHBondContact O-CG 3.25Å; T113-E117 PolarHBondContact O-N 2.9Å; Y115-E117 VanDerWaalsContact C-N 3.29Å; Y115-E117 PolarHBondContact O-N 2.91Å; E117-K120 PolarHBondContact O-N 2.56Å; E117-K120 IonicContact OE1-NZ 2.7Å; E117-K120 PolarHBondContact OE1-NZ 2.9Å; E117-Q121 VanDerWaalsContact O-CG 3.25Å; E117-Q121 WeakPolarHBondContact O-CG 3.16Å; E117-Q121 PolarHBondContact O-N 3.37Å
118	Q	97.2	Very high	97.6	Very high	78 Å²	78	62.3 Å²	62.3	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-44.4	174	-175.9	-176.8	6	0	0	111.8	E114 Y115 Q121 T122	E114-Q118 PolarHBondContact O-N 3.45Å; Y115-Q118 WeakPolarHBondContact O-CB 3.39Å; Y115-Q118 PolarHBondContact O-N 2.78Å; Y115-Q118 VanDerWaalsContact O-N 3.1Å; Q118-Q121 WeakPolarHBondContact O-CB 3.38Å; Q118-Q121 PolarHBondContact O-N 3.47Å; Q118-T122 PolarHBondContact O-N 3.02Å
119	I	98.1	Very high	97.5	Very high	2 Å²	2	64.1 Å²	64.1	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-40.4	177.3	-60.5	-49.4	0	0	0	111.1	Y115 I116 Q121 T122 F142 D147 I193 Y194	Y115-I119 HydrophobicContact CD2-CD1 4.39Å; Y115-I119 HydrophobicContact CD2-CG1 4.23Å; Y115-I119 HydrophobicContact CE1-CG1 4.05Å; Y115-I119 HydrophobicContact CE2-CD1 3.62Å; Y115-I119 HydrophobicContact CE2-CG1 3.73Å; Y115-I119 WeakPolarHBondContact O-CG1 3.34Å; Y115-I119 PolarHBondContact O-N 3.4Å; I116-I119 PolarHBondContact O-N 3.49Å; I119-Q121 VanDerWaalsContact C-N 3.29Å; I119-Q121 PolarHBondContact O-N 3.35Å; I119-T122 WeakPolarHBondContact O-CB 3.4Å; I119-T122 WeakPolarHBondContact O-CG2 3.43Å; I119-T122 PolarHBondContact O-N 2.97Å; I119-T122 VanDerWaalsContact O-N 3.15Å; I119-T122 PolarHBondContact O-OG1 2.82Å; I119-F142 HydrophobicContact CD1-CE1 3.64Å; I119-F142 HydrophobicContact CD1-CZ 3.76Å; I119-D147 HydrophobicContact CG2-CB 3.95Å; I119-I193 HydrophobicContact CD1-CG2 4.37Å; I119-I193 HydrophobicContact CG1-CG2 4.36Å; I119-I193 HydrophobicContact CG2-CG2 3.96Å; I119-Y194 WeakPolarHBondContact CB-OH 3.38Å; I119-Y194 HydrophobicContact CG1-CE1 4.32Å; I119-Y194 HydrophobicContact CG2-CE2 4.37Å; I119-Y194 WeakPolarHBondContact CG2-OH 3.39Å
120	K	97.8	Very high	97.4	Very high	49 Å²	49	63.3 Å²	63.3	21%	0.213	32%	0.319	C	S	.	.	H	α-helix	trans	-58.8	-39.9	173.3	-73.9	175.5	-176.7	173.5	0	112.6	D104 I116 E117 T122 T123	D104-K120 VanDerWaalsContact CG-CE 3.48Å; D104-K120 WeakPolarHBondContact OD1-CE 3.45Å; D104-K120 IonicContact OD1-NZ 3.34Å; D104-K120 PolarHBondContact OD1-NZ 3.45Å; D104-K120 VanDerWaalsContact OD2-CE 3.29Å; D104-K120 WeakPolarHBondContact OD2-CE 3.21Å; D104-K120 IonicContact OD2-NZ 2.63Å; D104-K120 PolarHBondContact OD2-NZ 3.38Å; I116-K120 WeakPolarHBondContact O-CG 3.32Å; I116-K120 PolarHBondContact O-N 3.44Å; E117-K120 PolarHBondContact O-N 2.56Å; E117-K120 IonicContact OE1-NZ 2.7Å; E117-K120 PolarHBondContact OE1-NZ 2.9Å; K120-T122 PolarHBondContact O-N 3.13Å; K120-T123 WeakPolarHBondContact O-CB 3.39Å; K120-T123 WeakPolarHBondContact O-CG2 3.16Å; K120-T123 PolarHBondContact O-N 2.95Å; K120-T123 VanDerWaalsContact O-N 3.07Å; K120-T123 PolarHBondContact O-OG1 3.49Å
121	Q	97.3	Very high	97.2	Very high	103 Å²	103	66 Å²	66	48%	0.481	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-24.9	179.7	-72.1	166.3	20.6	0	0	112.7	E117 Q118 I119 T123 T124 M125	E117-Q121 VanDerWaalsContact O-CG 3.25Å; E117-Q121 WeakPolarHBondContact O-CG 3.16Å; E117-Q121 PolarHBondContact O-N 3.37Å; Q118-Q121 WeakPolarHBondContact O-CB 3.38Å; Q118-Q121 PolarHBondContact O-N 3.47Å; I119-Q121 VanDerWaalsContact C-N 3.29Å; I119-Q121 PolarHBondContact O-N 3.35Å; Q121-T123 PolarHBondContact O-N 3.39Å; Q121-T123 VanDerWaalsContact O-N 3.1Å; Q121-T124 PolarHBondContact O-N 3.05Å; Q121-T124 PolarHBondContact O-OG1 2.94Å; Q121-M125 HydrophobicContact CB-CE 3.99Å; Q121-M125 WeakPolarHBondContact O-CG 3.36Å; Q121-M125 PolarHBondContact O-N 2.57Å
122	T	97	Very high	97	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.9	175.9	80	0	0	0	0	112.6	Q118 I119 K120 T124 M125 L130 L133 F142	Q118-T122 PolarHBondContact O-N 3.02Å; I119-T122 WeakPolarHBondContact O-CB 3.4Å; I119-T122 WeakPolarHBondContact O-CG2 3.43Å; I119-T122 PolarHBondContact O-N 2.97Å; I119-T122 VanDerWaalsContact O-N 3.15Å; I119-T122 PolarHBondContact O-OG1 2.82Å; K120-T122 PolarHBondContact O-N 3.13Å; T122-T124 PolarHBondContact O-N 2.71Å; T122-M125 HydrophobicContact CG2-SD 4.29Å; T122-L130 HydrophobicContact CG2-CD2 4.38Å; T122-L130 WeakPolarHBondContact O-CD2 3.22Å; T122-L133 HydrophobicContact CG2-CD2 3.72Å; T122-F142 HydrophobicContact CG2-CB 4.47Å; T122-F142 HydrophobicContact CG2-CD1 4.05Å; T122-F142 HydrophobicContact CG2-CE1 4.48Å; T122-F142 HydrophobicContact CG2-CG 4.14Å
123	T	97.2	Very high	96.9	Very high	62 Å²	62	69.2 Å²	69.2	38%	0.38	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-23.5	175.3	63.9	0	0	0	0	113.1	K120 Q121 D147	K120-T123 WeakPolarHBondContact O-CB 3.39Å; K120-T123 WeakPolarHBondContact O-CG2 3.16Å; K120-T123 PolarHBondContact O-N 2.95Å; K120-T123 VanDerWaalsContact O-N 3.07Å; K120-T123 PolarHBondContact O-OG1 3.49Å; Q121-T123 PolarHBondContact O-N 3.39Å; Q121-T123 VanDerWaalsContact O-N 3.1Å; T123-D147 HydrophobicContact CG2-CB 3.86Å
124	T	96.9	Very high	96.7	Very high	114 Å²	114	65.4 Å²	65.4	70%	0.699	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-6.1	-176.6	53.9	0	0	0	0	114.3	Q121 T122	Q121-T124 PolarHBondContact O-N 3.05Å; Q121-T124 PolarHBondContact O-OG1 2.94Å; T122-T124 PolarHBondContact O-N 2.71Å
125	M	97.2	Very high	96.5	Very high	46 Å²	46	61.1 Å²	61.1	23%	0.227	31%	0.312	C	S	.	.	S	Bend	trans	-70.4	146.4	177.6	-76.3	176.8	-171.2	0	0	111.8	Q121 T122 E129 L130 L133	Q121-M125 HydrophobicContact CB-CE 3.99Å; Q121-M125 WeakPolarHBondContact O-CG 3.36Å; Q121-M125 PolarHBondContact O-N 2.57Å; T122-M125 HydrophobicContact CG2-SD 4.29Å; M125-E129 WeakPolarHBondContact CA-OE2 3.49Å; M125-E129 HydrophobicContact CB-CB 4.05Å; M125-E129 HydrophobicContact CG-CB 4.25Å; M125-E129 HydrophobicContact SD-CB 4.48Å; M125-L130 HydrophobicContact CB-CD2 3.81Å; M125-L130 HydrophobicContact CB-CG 3.75Å; M125-L130 HydrophobicContact SD-CD2 4.17Å; M125-L133 HydrophobicContact CE-CD2 4.29Å; M125-L133 HydrophobicContact SD-CD2 4.07Å
126	E	96.3	Very high	96.3	Very high	137 Å²	137	64.4 Å²	64.4	64%	0.64	33%	0.333	S	S	*	.			trans	-72.1	155.2	170.6	-66.3	-64.4	150.9	0	0	111	N128 E129 L130	E126-N128 PolarHBondContact O-N 3.49Å; E126-E129 HydrophobicContact CB-CG 4.43Å; E126-E129 PolarHBondContact N-OE2 2.82Å; E126-E129 WeakPolarHBondContact O-CA 3.46Å; E126-E129 WeakPolarHBondContact O-CB 3.27Å; E126-E129 PolarHBondContact O-N 3.09Å; E126-L130 PolarHBondContact O-N 3.09Å
127	D	94.6	Very high	96.1	Very high	91 Å²	91	65 Å²	65	49%	0.487	34%	0.336	S	S	.	.	H	α-helix	trans	-54.3	-32.9	-177.4	-72.7	-11.3	0	0	0	113	I66 W67 K131	I66-D127 HydrophobicContact CD1-CB 4.29Å; W67-D127 VanDerWaalsContact CZ2-O 3.31Å; W67-D127 WeakPolarHBondContact CZ2-O 3.29Å; D127-K131 WeakPolarHBondContact O-CB 3.45Å; D127-K131 PolarHBondContact O-N 2.88Å
128	N	94.8	Very high	95.8	Very high	121 Å²	121	61.7 Å²	61.7	65%	0.647	32%	0.321	S	S	*	.	H	α-helix	trans	-70.3	-37.4	176.4	-73.4	-34.8	0	0	0	112.8	E126 Q132	E126-N128 PolarHBondContact O-N 3.49Å; N128-Q132 VanDerWaalsContact O-CG 3.26Å; N128-Q132 WeakPolarHBondContact O-CG 3.38Å; N128-Q132 PolarHBondContact O-N 3.47Å
129	E	96.3	Very high	95.6	Very high	99 Å²	99	58.9 Å²	58.9	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-69.8	-42.7	176.8	-62.4	175.6	129.9	0	0	110.1	M125 E126 K131 Q132 L133	M125-E129 WeakPolarHBondContact CA-OE2 3.49Å; M125-E129 HydrophobicContact CB-CB 4.05Å; M125-E129 HydrophobicContact CG-CB 4.25Å; M125-E129 HydrophobicContact SD-CB 4.48Å; E126-E129 HydrophobicContact CB-CG 4.43Å; E126-E129 PolarHBondContact N-OE2 2.82Å; E126-E129 WeakPolarHBondContact O-CA 3.46Å; E126-E129 WeakPolarHBondContact O-CB 3.27Å; E126-E129 PolarHBondContact O-N 3.09Å; E129-K131 VanDerWaalsContact C-N 3.33Å; E129-K131 PolarHBondContact O-N 3.31Å; E129-Q132 PolarHBondContact O-N 2.94Å; E129-L133 WeakPolarHBondContact O-CB 3.34Å; E129-L133 PolarHBondContact O-N 2.97Å
130	L	96.6	Very high	95.4	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-43.8	173.8	-69.4	170.1	0	0	0	111.9	W67 T122 M125 E126 L133 S134 F142	W67-L130 HydrophobicContact CH2-CB 3.92Å; W67-L130 HydrophobicContact CZ2-CB 4.15Å; T122-L130 HydrophobicContact CG2-CD2 4.38Å; T122-L130 WeakPolarHBondContact O-CD2 3.22Å; M125-L130 HydrophobicContact CB-CD2 3.81Å; M125-L130 HydrophobicContact CB-CG 3.75Å; M125-L130 HydrophobicContact SD-CD2 4.17Å; E126-L130 PolarHBondContact O-N 3.09Å; L130-L133 PolarHBondContact O-N 2.95Å; L130-S134 VanDerWaalsContact O-CB 3.25Å; L130-S134 WeakPolarHBondContact O-CB 3.49Å; L130-S134 PolarHBondContact O-N 3.37Å; L130-S134 PolarHBondContact O-OG 3.14Å; L130-F142 HydrophobicContact CD2-CB 3.71Å
131	K	94.9	Very high	95.3	Very high	85 Å²	85	56.7 Å²	56.7	37%	0.37	30%	0.3	S	S	.	.	H	α-helix	trans	-61.8	-45.3	175.8	-169.9	176.9	-174.2	178	0	111.4	W67 D127 E129 S134 A135 F435	W67-K131 HydrophobicContact CD2-CG 4.46Å; W67-K131 HydrophobicContact CH2-CB 4.23Å; W67-K131 HydrophobicContact CZ2-CB 3.6Å; W67-K131 HydrophobicContact CZ2-CG 4.3Å; D127-K131 WeakPolarHBondContact O-CB 3.45Å; D127-K131 PolarHBondContact O-N 2.88Å; E129-K131 VanDerWaalsContact C-N 3.33Å; E129-K131 PolarHBondContact O-N 3.31Å; K131-S134 PolarHBondContact O-N 2.85Å; K131-A135 VanDerWaalsContact O-CB 3.29Å; K131-A135 WeakPolarHBondContact O-CB 3.36Å; K131-A135 PolarHBondContact O-N 3.15Å; K131-F435 HydrophobicContact CD-CE1 4.32Å; K131-F435 HydrophobicContact CG-CE1 3.73Å; K131-F435 HydrophobicContact CG-CZ 3.72Å
132	Q	95	Very high	95.3	Very high	136 Å²	136	51.9 Å²	51.9	64%	0.636	28%	0.278	S	S	*	.	H	α-helix	trans	-63.2	-46	178.7	-75.7	173.4	8.2	0	0	111.7	N128 E129 A135 T136	N128-Q132 VanDerWaalsContact O-CG 3.26Å; N128-Q132 WeakPolarHBondContact O-CG 3.38Å; N128-Q132 PolarHBondContact O-N 3.47Å; E129-Q132 PolarHBondContact O-N 2.94Å; Q132-A135 PolarHBondContact O-N 2.83Å; Q132-T136 WeakPolarHBondContact O-CG2 3.37Å
133	L	95.2	Very high	95.2	Very high	25 Å²	25	52.3 Å²	52.3	13%	0.131	28%	0.28	C	S	.	.	H	α-helix	trans	-60.4	-50.2	176.2	176	60.9	0	0	0	111.1	T122 M125 E129 L130 A135 T136 F142	T122-L133 HydrophobicContact CG2-CD2 3.72Å; M125-L133 HydrophobicContact CE-CD2 4.29Å; M125-L133 HydrophobicContact SD-CD2 4.07Å; E129-L133 WeakPolarHBondContact O-CB 3.34Å; E129-L133 PolarHBondContact O-N 2.97Å; L130-L133 PolarHBondContact O-N 2.95Å; L133-A135 VanDerWaalsContact C-N 3.25Å; L133-A135 PolarHBondContact O-N 3.02Å; L133-T136 PolarHBondContact O-N 2.95Å; L133-T136 PolarHBondContact O-OG1 3.03Å; L133-F142 HydrophobicContact CD2-CD2 3.87Å; L133-F142 HydrophobicContact CD2-CE2 3.91Å; L133-F142 HydrophobicContact CG-CD2 3.98Å; L133-F142 HydrophobicContact CG-CE2 3.9Å
134	S	95	Very high	95.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-57	-39.6	178.2	-56.6	0	0	0	0	111.9	L130 K131 T136 L137 V140 F142 F435	L130-S134 VanDerWaalsContact O-CB 3.25Å; L130-S134 WeakPolarHBondContact O-CB 3.49Å; L130-S134 PolarHBondContact O-N 3.37Å; L130-S134 PolarHBondContact O-OG 3.14Å; K131-S134 PolarHBondContact O-N 2.85Å; S134-T136 PolarHBondContact O-N 3.04Å; S134-T136 VanDerWaalsContact O-N 3.15Å; S134-L137 PolarHBondContact O-N 3.3Å; S134-L137 VanDerWaalsContact O-N 3.11Å; S134-V140 WeakPolarHBondContact CB-O 3.42Å; S134-F142 PolarHBondContact OG-N 3.19Å; S134-F435 VanDerWaalsContact CB-CD2 3.41Å
135	A	93.3	Very high	95.2	Very high	48 Å²	48	53 Å²	53	40%	0.397	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.1	177.7	0	0	0	0	0	115.2	K131 Q132 L133 P433 F435	K131-A135 VanDerWaalsContact O-CB 3.29Å; K131-A135 WeakPolarHBondContact O-CB 3.36Å; K131-A135 PolarHBondContact O-N 3.15Å; Q132-A135 PolarHBondContact O-N 2.83Å; L133-A135 VanDerWaalsContact C-N 3.25Å; L133-A135 PolarHBondContact O-N 3.02Å; A135-P433 WeakPolarHBondContact O-CB 3.24Å; A135-F435 HydrophobicContact CB-CB 4.27Å; A135-F435 HydrophobicContact CB-CG 4.33Å
136	T	94	Very high	95.2	Very high	75 Å²	75	50.8 Å²	50.8	46%	0.46	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-6.8	174.3	69.1	0	0	0	0	113.8	Q132 L133 S134 K431	Q132-T136 WeakPolarHBondContact O-CG2 3.37Å; L133-T136 PolarHBondContact O-N 2.95Å; L133-T136 PolarHBondContact O-OG1 3.03Å; S134-T136 PolarHBondContact O-N 3.04Å; S134-T136 VanDerWaalsContact O-N 3.15Å; T136-K431 WeakPolarHBondContact O-CE 3.45Å; T136-K431 PolarHBondContact O-NZ 3.11Å; T136-K431 VanDerWaalsContact O-NZ 3.16Å
137	L	94.6	Very high	95.3	Very high	14 Å²	14	45 Å²	45	7%	0.073	23%	0.231	C	C	.	.	S	Bend	trans	-112.4	162.4	-174.4	-58.9	-179.5	0	0	0	111.1	S134 V140 F142 E187 A188 P433 N434	S134-L137 PolarHBondContact O-N 3.3Å; S134-L137 VanDerWaalsContact O-N 3.11Å; L137-V140 HydrophobicContact CB-CB 3.87Å; L137-V140 HydrophobicContact CB-CG2 4.24Å; L137-V140 HydrophobicContact CD1-CB 3.91Å; L137-V140 HydrophobicContact CD1-CG1 3.74Å; L137-V140 HydrophobicContact CD1-CG2 4.37Å; L137-F142 HydrophobicContact CD1-CE2 3.5Å; L137-F142 HydrophobicContact CD1-CZ 3.84Å; L137-E187 HydrophobicContact CD2-CG 3.67Å; L137-A188 HydrophobicContact CD1-CB 3.99Å; L137-P433 WeakPolarHBondContact O-CA 3.46Å; L137-N434 PolarHBondContact O-N 2.66Å; L137-N434 VanDerWaalsContact O-N 3.08Å
138	D	93.2	Very high	95.5	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.053	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-90.1	112	175	-173	-9.4	0	0	0	109.9	V140 G190 W250 W427	D138-V140 VanDerWaalsContact C-N 3.28Å; D138-V140 PolarHBondContact O-N 3.36Å; D138-G190 PolarHBondContact O-N 2.95Å; D138-W250 PolarHBondContact OD2-NE1 3.29Å; D138-W427 HydrophobicContact CB-CH2 3.85Å; D138-W427 HydrophobicContact CB-CZ2 3.89Å; D138-W427 WeakPolarHBondContact OD2-CH2 3.42Å
139	S	92.3	Very high	95.7	Very high	20 Å²	20	37.4 Å²	37.4	14%	0.14	19%	0.19	C	C	.	.	S	Bend	trans	57.4	39.7	172.2	-54.7	0	0	0	0	112.7	F191 N434	S139-F191 WeakPolarHBondContact O-CA 3.48Å; S139-F191 WeakPolarHBondContact O-CD1 3.5Å; S139-F191 WeakPolarHBondContact O-CE1 3.34Å; S139-F191 PolarHBondContact O-N 3.42Å; S139-N434 VanDerWaalsContact CA-O 3.26Å; S139-N434 WeakPolarHBondContact CA-O 3.3Å; S139-N434 PolarHBondContact N-O 3.08Å
140	V	94.5	Very high	95.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	17%	0.169	C	C	.	.			trans	-120.9	140.6	176.8	174	0	0	0	0	109.4	S134 L137 D138 F142 A188 I193	S134-V140 WeakPolarHBondContact CB-O 3.42Å; L137-V140 HydrophobicContact CB-CB 3.87Å; L137-V140 HydrophobicContact CB-CG2 4.24Å; L137-V140 HydrophobicContact CD1-CB 3.91Å; L137-V140 HydrophobicContact CD1-CG1 3.74Å; L137-V140 HydrophobicContact CD1-CG2 4.37Å; D138-V140 VanDerWaalsContact C-N 3.28Å; D138-V140 PolarHBondContact O-N 3.36Å; V140-F142 HydrophobicContact CG1-CD2 4.29Å; V140-F142 HydrophobicContact CG1-CE1 4.22Å; V140-F142 HydrophobicContact CG1-CE2 3.72Å; V140-F142 HydrophobicContact CG1-CZ 3.66Å; V140-A188 HydrophobicContact CB-CB 4.5Å; V140-A188 HydrophobicContact CG1-CB 3.87Å; V140-A188 HydrophobicContact CG2-CB 3.92Å; V140-I193 HydrophobicContact CG1-CD1 3.71Å
141	Y	95.2	Very high	95.9	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.016	17%	0.173	C	C	.	.			trans	-130.4	145.3	170	69.3	-95	0	0	0	110.3	H63 K64 N65 F71 E73 R177	H63-Y141 AromaticContact CD2-CZ 3.75Å; H63-Y141 PolarHBondContact CD2-OH 3.46Å; H63-Y141 AromaticContact CE1-CD2 3.82Å; H63-Y141 AromaticContact CE1-CE2 3.24Å; H63-Y141 WeakPolarHBondContact CE1-CE2 3.47Å; H63-Y141 AromaticContact CE1-CZ 3.53Å; H63-Y141 PolarHBondContact CE1-O 3.03Å; H63-Y141 AromaticContact ND1-CE2 3.58Å; H63-Y141 AromaticContact NE2-CE1 3.93Å; H63-Y141 AromaticContact NE2-CE2 3.53Å; H63-Y141 AromaticContact NE2-CZ 3.28Å; H63-Y141 VanDerWaalsContact NE2-CZ 3.28Å; H63-Y141 PolarHBondContact NE2-OH 3.25Å; K64-Y141 WeakPolarHBondContact CA-OH 3.4Å; K64-Y141 WeakPolarHBondContact O-CE2 3.39Å; N65-Y141 HydrophobicContact CB-CD1 3.99Å; N65-Y141 HydrophobicContact CB-CD2 4.02Å; N65-Y141 HydrophobicContact CB-CE1 4.05Å; N65-Y141 HydrophobicContact CB-CE2 4.1Å; N65-Y141 HydrophobicContact CB-CG 3.97Å; F71-Y141 AromaticContact CD1-CD1 3.76Å; F71-Y141 HydrophobicContact CD1-CD1 3.76Å; F71-Y141 AromaticContact CD1-CE1 3.63Å; F71-Y141 HydrophobicContact CD1-CE1 3.63Å; F71-Y141 AromaticContact CE1-CD1 3.54Å; F71-Y141 HydrophobicContact CE1-CD1 3.54Å; F71-Y141 AromaticContact CE1-CE1 3.72Å; F71-Y141 HydrophobicContact CE1-CE1 3.72Å; F71-Y141 HydrophobicContact CZ-CD1 4.22Å; E73-Y141 HydrophobicContact CB-CE1 4.31Å; E73-Y141 PolarHBondContact O-OH 3.11Å; E73-Y141 PolarHBondContact OE2-OH 2.94Å; Y141-R177 PolarHBondContact OH-NH2 3.47Å
142	F	96.5	Very high	96.1	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.009	16%	0.155	C	C	.	.			trans	-115	146.3	173.9	-62.4	-76.5	0	0	0	111.5	W67 I119 T122 L130 L133 S134 L137 V140 T146 A188 I193	W67-F142 WeakPolarHBondContact CH2-O 3.49Å; W67-F142 WeakPolarHBondContact CZ3-O 3.23Å; I119-F142 HydrophobicContact CD1-CE1 3.64Å; I119-F142 HydrophobicContact CD1-CZ 3.76Å; T122-F142 HydrophobicContact CG2-CB 4.47Å; T122-F142 HydrophobicContact CG2-CD1 4.05Å; T122-F142 HydrophobicContact CG2-CE1 4.48Å; T122-F142 HydrophobicContact CG2-CG 4.14Å; L130-F142 HydrophobicContact CD2-CB 3.71Å; L133-F142 HydrophobicContact CD2-CD2 3.87Å; L133-F142 HydrophobicContact CD2-CE2 3.91Å; L133-F142 HydrophobicContact CG-CD2 3.98Å; L133-F142 HydrophobicContact CG-CE2 3.9Å; S134-F142 PolarHBondContact OG-N 3.19Å; L137-F142 HydrophobicContact CD1-CE2 3.5Å; L137-F142 HydrophobicContact CD1-CZ 3.84Å; V140-F142 HydrophobicContact CG1-CD2 4.29Å; V140-F142 HydrophobicContact CG1-CE1 4.22Å; V140-F142 HydrophobicContact CG1-CE2 3.72Å; V140-F142 HydrophobicContact CG1-CZ 3.66Å; F142-T146 HydrophobicContact CD1-CG2 3.68Å; F142-T146 HydrophobicContact CE1-CG2 4.24Å; F142-A188 HydrophobicContact CZ-CB 4.05Å; F142-I193 HydrophobicContact CD1-CD1 4.43Å; F142-I193 HydrophobicContact CE1-CD1 3.73Å; F142-I193 HydrophobicContact CE1-CG2 4.46Å; F142-I193 HydrophobicContact CZ-CD1 4.24Å
143	N	95.6	Very high	96.3	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.043	13%	0.125	C	C	.	.			trans	-137.4	172.8	163.2	75	18.8	0	0	0	109.3	L62 K64 H145 T146	L62-N143 PolarHBondContact O-ND2 3.05Å; K64-N143 PolarHBondContact N-ND2 2.68Å; K64-N143 PolarHBondContact O-ND2 2.86Å; N143-H145 PolarHBondContact O-N 2.91Å; N143-H145 WeakPolarHBondContact OD1-CA 3.43Å; N143-H145 PolarHBondContact OD1-N 3.25Å; N143-T146 PolarHBondContact N-OG1 3.49Å; N143-T146 WeakPolarHBondContact O-CB 3.24Å; N143-T146 PolarHBondContact O-N 2.83Å; N143-T146 PolarHBondContact O-OG1 3.39Å; N143-T146 PolarHBondContact OD1-N 2.97Å; N143-T146 PolarHBondContact OD1-OG1 3.46Å
144	K	96.5	Very high	96.4	Very high	133 Å²	133	22 Å²	22	58%	0.578	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-12.5	-178.4	70.3	-174.9	-177.1	-176.4	0	116
145	H	97.5	Very high	96.6	Very high	58 Å²	58	22.2 Å²	22.2	27%	0.269	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	0.6	179.6	-58.5	-62.4	0	0	0	113.4	L62 N143 L148 S149	L62-H145 HydrophobicContact CB-CB 3.53Å; L62-H145 HydrophobicContact CD1-CB 4.38Å; N143-H145 PolarHBondContact O-N 2.91Å; N143-H145 WeakPolarHBondContact OD1-CA 3.43Å; N143-H145 PolarHBondContact OD1-N 3.25Å; H145-L148 PolarHBondContact O-N 3.14Å; H145-S149 PolarHBondContact O-N 3.09Å; H145-S149 PolarHBondContact O-OG 3.36Å
146	T	97.9	Very high	96.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-65.1	-43.3	-173.3	-62.7	0	0	0	0	112.3	H63 F142 N143 L148 S149 A150 I193	H63-T146 WeakPolarHBondContact ND1-CG2 3.08Å; H63-T146 PolarHBondContact ND1-OG1 3.3Å; F142-T146 HydrophobicContact CD1-CG2 3.68Å; F142-T146 HydrophobicContact CE1-CG2 4.24Å; N143-T146 PolarHBondContact N-OG1 3.49Å; N143-T146 WeakPolarHBondContact O-CB 3.24Å; N143-T146 PolarHBondContact O-N 2.83Å; N143-T146 PolarHBondContact O-OG1 3.39Å; N143-T146 PolarHBondContact OD1-N 2.97Å; N143-T146 PolarHBondContact OD1-OG1 3.46Å; T146-L148 VanDerWaalsContact C-N 3.35Å; T146-L148 PolarHBondContact O-N 2.94Å; T146-S149 PolarHBondContact O-N 3.18Å; T146-A150 VanDerWaalsContact O-CB 3.28Å; T146-A150 WeakPolarHBondContact O-CB 3.27Å; T146-A150 PolarHBondContact O-N 3.2Å; T146-I193 HydrophobicContact CG2-CD1 4.15Å; T146-I193 HydrophobicContact CG2-CG1 3.91Å
147	D	98.4	Very high	97.1	Very high	15 Å²	15	16.3 Å²	16.3	8%	0.08	8%	0.079	C	C	.	.	H	α-helix	trans	-58.7	-45.2	174	178.6	58.6	0	0	0	111.7	I119 T123 A150 R151 Y194	I119-D147 HydrophobicContact CG2-CB 3.95Å; T123-D147 HydrophobicContact CG2-CB 3.86Å; D147-A150 PolarHBondContact O-N 2.96Å; D147-R151 VanDerWaalsContact CG-NE 3.28Å; D147-R151 WeakPolarHBondContact O-CB 3.46Å; D147-R151 VanDerWaalsContact O-CG 3.25Å; D147-R151 WeakPolarHBondContact O-CG 3.43Å; D147-R151 PolarHBondContact O-N 3.25Å; D147-R151 IonicContact OD1-CZ 3.85Å; D147-R151 IonicContact OD1-NE 2.9Å; D147-R151 PolarHBondContact OD1-NE 3.3Å; D147-R151 IonicContact OD1-NH2 3.6Å; D147-R151 IonicContact OD2-CZ 2.79Å; D147-R151 IonicContact OD2-NE 3.69Å; D147-R151 PolarHBondContact OD2-NE 2.97Å; D147-R151 IonicContact OD2-NH2 3.96Å; D147-Y194 PolarHBondContact OD1-OH 3.35Å
148	L	98.5	Very high	97.3	Very high	53 Å²	53	16 Å²	16	28%	0.277	8%	0.077	S	C	.	.	H	α-helix	trans	-59.9	-50.2	177.1	175.1	62.8	0	0	0	111.7	P101 H145 T146 A150 R151 L152	P101-L148 HydrophobicContact CB-CD1 4.32Å; P101-L148 HydrophobicContact CG-CD1 3.82Å; H145-L148 PolarHBondContact O-N 3.14Å; T146-L148 VanDerWaalsContact C-N 3.35Å; T146-L148 PolarHBondContact O-N 2.94Å; L148-A150 VanDerWaalsContact C-N 3.35Å; L148-A150 PolarHBondContact O-N 3.45Å; L148-R151 PolarHBondContact O-N 2.89Å; L148-L152 HydrophobicContact CD1-CD1 4.12Å; L148-L152 HydrophobicContact CD1-CG 4.31Å; L148-L152 HydrophobicContact CG-CD1 4.06Å; L148-L152 WeakPolarHBondContact O-CG 3.24Å; L148-L152 PolarHBondContact O-N 3.02Å
149	S	98.6	Very high	97.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-41.9	179	-62.8	0	0	0	0	112	R59 M60 H63 H145 T146 L152 S153	R59-S149 PolarHBondContact O-OG 3.42Å; M60-S149 WeakPolarHBondContact CA-OG 3.29Å; H63-S149 WeakPolarHBondContact CB-OG 3.29Å; H145-S149 PolarHBondContact O-N 3.09Å; H145-S149 PolarHBondContact O-OG 3.36Å; T146-S149 PolarHBondContact O-N 3.18Å; S149-L152 PolarHBondContact O-N 2.72Å; S149-S153 PolarHBondContact O-N 2.89Å
150	A	98.6	Very high	97.9	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-66	-38.3	177.8	0	0	0	0	0	112	T146 D147 L148 S153 V154 P178 I193 Y194	T146-A150 VanDerWaalsContact O-CB 3.28Å; T146-A150 WeakPolarHBondContact O-CB 3.27Å; T146-A150 PolarHBondContact O-N 3.2Å; D147-A150 PolarHBondContact O-N 2.96Å; L148-A150 VanDerWaalsContact C-N 3.35Å; L148-A150 PolarHBondContact O-N 3.45Å; A150-S153 VanDerWaalsContact O-CB 3.29Å; A150-S153 WeakPolarHBondContact O-CB 3.34Å; A150-S153 PolarHBondContact O-N 3.04Å; A150-V154 PolarHBondContact O-N 2.74Å; A150-V154 VanDerWaalsContact O-N 3.09Å; A150-P178 HydrophobicContact CB-CG 3.91Å; A150-I193 HydrophobicContact CB-CB 3.8Å; A150-I193 HydrophobicContact CB-CG1 4.39Å; A150-I193 HydrophobicContact CB-CG2 3.8Å; A150-Y194 HydrophobicContact CB-CD2 3.56Å; A150-Y194 HydrophobicContact CB-CE2 3.86Å
151	R	98.8	Very high	98.1	Very high	21 Å²	21	16.5 Å²	16.5	8%	0.079	8%	0.077	C	C	.	.	H	α-helix	trans	-66	-38.7	173.1	-74.2	173.6	-177.1	-84	-6.8	112.6	P101 A102 D104 L107 D147 L148 S153 G155 Y194	P101-R151 HydrophobicContact CB-CB 3.81Å; A102-R151 WeakPolarHBondContact CB-O 3.45Å; A102-R151 PolarHBondContact N-O 2.79Å; A102-R151 PolarHBondContact O-NH1 3Å; D104-R151 IonicContact OD1-CZ 3.21Å; D104-R151 VanDerWaalsContact OD1-CZ 3.25Å; D104-R151 IonicContact OD1-NH1 2.81Å; D104-R151 PolarHBondContact OD1-NH1 2.81Å; D104-R151 IonicContact OD1-NH2 2.77Å; D104-R151 PolarHBondContact OD1-NH2 3.29Å; L107-R151 HydrophobicContact CD1-CG 4.33Å; D147-R151 VanDerWaalsContact CG-NE 3.28Å; D147-R151 WeakPolarHBondContact O-CB 3.46Å; D147-R151 VanDerWaalsContact O-CG 3.25Å; D147-R151 WeakPolarHBondContact O-CG 3.43Å; D147-R151 PolarHBondContact O-N 3.25Å; D147-R151 IonicContact OD1-CZ 3.85Å; D147-R151 IonicContact OD1-NE 2.9Å; D147-R151 PolarHBondContact OD1-NE 3.3Å; D147-R151 IonicContact OD1-NH2 3.6Å; D147-R151 IonicContact OD2-CZ 2.79Å; D147-R151 IonicContact OD2-NE 3.69Å; D147-R151 PolarHBondContact OD2-NE 2.97Å; D147-R151 IonicContact OD2-NH2 3.96Å; L148-R151 PolarHBondContact O-N 2.89Å; R151-S153 VanDerWaalsContact C-N 3.31Å; R151-G155 PolarHBondContact O-N 2.67Å; R151-Y194 HydrophobicContact CG-CE2 4.13Å
152	L	98.8	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.8	-38.7	173.4	-71.9	165.4	0	0	0	110.8	D57 R59 M60 P99 P101 L148 S149 G155 S156	D57-L152 HydrophobicContact CB-CD1 4.32Å; D57-L152 HydrophobicContact CB-CD2 4.42Å; R59-L152 HydrophobicContact CB-CD1 3.59Å; M60-L152 HydrophobicContact CE-CB 3.65Å; M60-L152 HydrophobicContact CG-CB 4.02Å; M60-L152 HydrophobicContact CG-CD1 4.35Å; P99-L152 HydrophobicContact CG-CD2 4.22Å; P99-L152 VanDerWaalsContact O-CD2 3.27Å; P99-L152 WeakPolarHBondContact O-CD2 3.31Å; P101-L152 HydrophobicContact CB-CD2 4.39Å; P101-L152 HydrophobicContact CG-CD2 3.76Å; P101-L152 HydrophobicContact CG-CG 4.17Å; L148-L152 HydrophobicContact CD1-CD1 4.12Å; L148-L152 HydrophobicContact CD1-CG 4.31Å; L148-L152 HydrophobicContact CG-CD1 4.06Å; L148-L152 WeakPolarHBondContact O-CG 3.24Å; L148-L152 PolarHBondContact O-N 3.02Å; S149-L152 PolarHBondContact O-N 2.72Å; L152-G155 PolarHBondContact O-N 3.03Å; L152-S156 PolarHBondContact O-N 3.38Å; L152-S156 PolarHBondContact O-OG 3.48Å
153	S	98.7	Very high	98.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-56.6	-53.1	175.1	-166.9	0	0	0	0	111	S149 A150 R151 G155 S156 V176 P178 N196	S149-S153 PolarHBondContact O-N 2.89Å; A150-S153 VanDerWaalsContact O-CB 3.29Å; A150-S153 WeakPolarHBondContact O-CB 3.34Å; A150-S153 PolarHBondContact O-N 3.04Å; R151-S153 VanDerWaalsContact C-N 3.31Å; S153-G155 VanDerWaalsContact C-N 3.35Å; S153-G155 PolarHBondContact O-N 3.14Å; S153-S156 WeakPolarHBondContact O-CB 3.31Å; S153-S156 PolarHBondContact O-N 3.48Å; S153-V176 VanDerWaalsContact OG-CB 3.27Å; S153-V176 WeakPolarHBondContact OG-CB 3.43Å; S153-V176 WeakPolarHBondContact OG-CG2 3.5Å; S153-P178 PolarHBondContact OG-O 2.98Å; S153-N196 PolarHBondContact OG-ND2 2.96Å; S153-N196 PolarHBondContact OG-OD1 3.1Å
154	V	98.9	Very high	98.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-61.5	-43	174.6	177.2	0	0	0	0	111.6	A102 L107 A150 S156 W157 I158 Y194 N196 I199	A102-V154 HydrophobicContact CB-CB 3.76Å; A102-V154 HydrophobicContact CB-CG1 3.61Å; L107-V154 HydrophobicContact CD2-CB 4.29Å; L107-V154 HydrophobicContact CD2-CG1 4.18Å; L107-V154 HydrophobicContact CD2-CG2 3.92Å; A150-V154 PolarHBondContact O-N 2.74Å; A150-V154 VanDerWaalsContact O-N 3.09Å; V154-S156 VanDerWaalsContact C-N 3.3Å; V154-S156 PolarHBondContact O-N 3Å; V154-W157 PolarHBondContact O-N 3.15Å; V154-W157 VanDerWaalsContact O-N 3.11Å; V154-I158 HydrophobicContact CG1-CG1 4.22Å; V154-I158 PolarHBondContact O-N 3.43Å; V154-Y194 HydrophobicContact CG2-CD2 4.29Å; V154-Y194 HydrophobicContact CG2-CG 4.35Å; V154-N196 VanDerWaalsContact CG2-OD1 3.22Å; V154-N196 WeakPolarHBondContact CG2-OD1 3.4Å; V154-N196 PolarHBondContact N-OD1 3.27Å; V154-I199 HydrophobicContact CG1-CB 4.29Å; V154-I199 HydrophobicContact CG1-CD1 3.92Å; V154-I199 HydrophobicContact CG1-CG2 3.69Å; V154-I199 HydrophobicContact CG2-CD1 3.82Å
155	G	98.8	Very high	98.4	Very high	3 Å²	3	16.1 Å²	16.1	3%	0.031	8%	0.079	C	C	.	.	H	α-helix	trans	-57.3	-39.7	178.7	0	0	0	0	0	113.2	E100 R151 L152 S153 W157 I158 Q159	E100-G155 WeakPolarHBondContact O-CA 3.48Å; R151-G155 PolarHBondContact O-N 2.67Å; L152-G155 PolarHBondContact O-N 3.03Å; S153-G155 VanDerWaalsContact C-N 3.35Å; S153-G155 PolarHBondContact O-N 3.14Å; G155-W157 VanDerWaalsContact C-N 3.34Å; G155-W157 PolarHBondContact O-N 3.05Å; G155-I158 PolarHBondContact O-N 2.91Å; G155-Q159 WeakPolarHBondContact O-CB 3.5Å; G155-Q159 WeakPolarHBondContact O-CG 2.94Å; G155-Q159 PolarHBondContact O-N 3.45Å
156	S	98.9	Very high	98.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.2	-45.8	174.3	-63.5	0	0	0	0	112.2	M60 P99 L152 S153 V154 A160 V176	M60-S156 WeakPolarHBondContact CE-OG 3.26Å; P99-S156 WeakPolarHBondContact CB-OG 3.49Å; P99-S156 WeakPolarHBondContact CG-OG 3.38Å; L152-S156 PolarHBondContact O-N 3.38Å; L152-S156 PolarHBondContact O-OG 3.48Å; S153-S156 WeakPolarHBondContact O-CB 3.31Å; S153-S156 PolarHBondContact O-N 3.48Å; V154-S156 VanDerWaalsContact C-N 3.3Å; V154-S156 PolarHBondContact O-N 3Å; S156-A160 WeakPolarHBondContact O-CB 3.3Å; S156-A160 PolarHBondContact O-N 2.91Å; S156-V176 WeakPolarHBondContact OG-CG1 3.34Å
157	W	98.8	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-68.4	-42.9	-179.7	-78.4	82.9	0	0	0	112.3	V154 G155 Q159 A160 V161 N196 V197 A200 L306 V307 I345	V154-W157 PolarHBondContact O-N 3.15Å; V154-W157 VanDerWaalsContact O-N 3.11Å; G155-W157 VanDerWaalsContact C-N 3.34Å; G155-W157 PolarHBondContact O-N 3.05Å; W157-Q159 PolarHBondContact O-N 2.86Å; W157-A160 PolarHBondContact O-N 3.1Å; W157-V161 WeakPolarHBondContact O-CG2 3.36Å; W157-V161 PolarHBondContact O-N 2.86Å; W157-N196 VanDerWaalsContact CD1-CB 3.47Å; W157-N196 HydrophobicContact CD2-CB 4.34Å; W157-N196 HydrophobicContact CG-CB 3.96Å; W157-V197 HydrophobicContact CH2-CB 4.1Å; W157-V197 HydrophobicContact CH2-CG2 4.05Å; W157-V197 HydrophobicContact CZ2-CB 4.43Å; W157-V197 HydrophobicContact CZ3-CB 4.3Å; W157-V197 HydrophobicContact CZ3-CG2 4.03Å; W157-A200 HydrophobicContact CB-CB 3.92Å; W157-A200 HydrophobicContact CE3-CB 4.04Å; W157-L306 HydrophobicContact CE3-CD2 4.47Å; W157-L306 HydrophobicContact CZ3-CB 4.09Å; W157-L306 HydrophobicContact CZ3-CD2 4.13Å; W157-V307 WeakPolarHBondContact CH2-O 3.25Å; W157-I345 HydrophobicContact CD2-CG2 4.48Å; W157-I345 HydrophobicContact CE3-CG2 3.78Å; W157-I345 HydrophobicContact CZ3-CB 4.44Å; W157-I345 HydrophobicContact CZ3-CG2 3.87Å
158	I	98.8	Very high	97.9	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.036	12%	0.121	C	C	.	.	H	α-helix	trans	-60	-47.3	176	-67.2	-65.6	0	0	0	110.8	F106 V154 G155 A160 V161 D162 I199 Y203	F106-I158 HydrophobicContact CD1-CD1 3.86Å; F106-I158 HydrophobicContact CD1-CG1 4.13Å; F106-I158 HydrophobicContact CD1-CG2 4.19Å; F106-I158 HydrophobicContact CE1-CD1 4.29Å; F106-I158 HydrophobicContact CE1-CG2 3.76Å; F106-I158 HydrophobicContact CE2-CG2 4.37Å; F106-I158 HydrophobicContact CG-CD1 4.49Å; F106-I158 HydrophobicContact CG-CG1 4.34Å; F106-I158 HydrophobicContact CZ-CG2 3.86Å; V154-I158 HydrophobicContact CG1-CG1 4.22Å; V154-I158 PolarHBondContact O-N 3.43Å; G155-I158 PolarHBondContact O-N 2.91Å; I158-A160 PolarHBondContact O-N 2.98Å; I158-V161 WeakPolarHBondContact O-CB 3.25Å; I158-V161 PolarHBondContact O-N 3.5Å; I158-D162 PolarHBondContact O-N 3.36Å; I158-I199 HydrophobicContact CD1-CG2 4.05Å; I158-Y203 VanDerWaalsContact CD1-CB 3.46Å; I158-Y203 HydrophobicContact CD1-CD1 3.62Å; I158-Y203 HydrophobicContact CD1-CD2 4.21Å; I158-Y203 HydrophobicContact CD1-CE1 4.44Å; I158-Y203 HydrophobicContact CD1-CG 3.49Å; I158-Y203 VanDerWaalsContact CD1-CG 3.49Å; I158-Y203 HydrophobicContact CG2-CD1 4.26Å; I158-Y203 HydrophobicContact CG2-CE1 4.06Å
159	Q	98.5	Very high	97.7	Very high	42 Å²	42	21.3 Å²	21.3	20%	0.196	11%	0.109	C	C	.	.	H	α-helix	trans	-66.4	-36.5	178.5	-71.2	-173.4	16.9	0	0	112.8	I55 I97 G155 W157 V161 D162 L163	I55-Q159 HydrophobicContact CD1-CB 4.49Å; I97-Q159 VanDerWaalsContact CG2-OE1 3.29Å; G155-Q159 WeakPolarHBondContact O-CB 3.5Å; G155-Q159 WeakPolarHBondContact O-CG 2.94Å; G155-Q159 PolarHBondContact O-N 3.45Å; W157-Q159 PolarHBondContact O-N 2.86Å; Q159-V161 VanDerWaalsContact C-N 3.31Å; Q159-V161 PolarHBondContact O-N 2.97Å; Q159-D162 PolarHBondContact O-N 3.25Å; Q159-L163 WeakPolarHBondContact O-CB 3.23Å; Q159-L163 VanDerWaalsContact O-CG 3.23Å; Q159-L163 WeakPolarHBondContact O-CG 3.48Å; Q159-L163 PolarHBondContact O-N 3Å
160	A	98.8	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59.2	-44.1	172.1	0	0	0	0	0	111.5	I55 S156 W157 I158 I164 A172 I345	I55-A160 HydrophobicContact CD1-CB 3.71Å; S156-A160 WeakPolarHBondContact O-CB 3.3Å; S156-A160 PolarHBondContact O-N 2.91Å; W157-A160 PolarHBondContact O-N 3.1Å; I158-A160 PolarHBondContact O-N 2.98Å; A160-I164 WeakPolarHBondContact O-CB 3.38Å; A160-I164 WeakPolarHBondContact O-CG1 3.26Å; A160-I164 PolarHBondContact O-N 2.93Å; A160-I164 VanDerWaalsContact O-N 3.11Å; A160-A172 HydrophobicContact CB-CB 3.71Å; A160-I345 HydrophobicContact CB-CD1 3.76Å; A160-I345 HydrophobicContact CB-CG1 4.09Å; A160-I345 HydrophobicContact CB-CG2 3.84Å
161	V	98.8	Very high	97.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.1	-46.3	175.8	172.4	0	0	0	0	110.7	W157 I158 Q159 I164 H165 A200 Y203 A204 L208 L304 I345	W157-V161 WeakPolarHBondContact O-CG2 3.36Å; W157-V161 PolarHBondContact O-N 2.86Å; I158-V161 WeakPolarHBondContact O-CB 3.25Å; I158-V161 PolarHBondContact O-N 3.5Å; Q159-V161 VanDerWaalsContact C-N 3.31Å; Q159-V161 PolarHBondContact O-N 2.97Å; V161-I164 PolarHBondContact O-N 3.29Å; V161-H165 WeakPolarHBondContact O-CB 3.43Å; V161-H165 PolarHBondContact O-N 3.47Å; V161-A200 HydrophobicContact CG2-CB 4.22Å; V161-Y203 HydrophobicContact CB-CD1 4.17Å; V161-Y203 HydrophobicContact CB-CE1 4.34Å; V161-Y203 HydrophobicContact CG1-CD1 3.78Å; V161-Y203 HydrophobicContact CG1-CE1 3.93Å; V161-A204 HydrophobicContact CG1-CB 4.11Å; V161-L208 HydrophobicContact CG1-CD1 3.53Å; V161-L304 HydrophobicContact CG2-CD2 4.39Å; V161-I345 HydrophobicContact CB-CD1 4.25Å; V161-I345 HydrophobicContact CG2-CD1 3.5Å
162	D	98.4	Very high	97.5	Very high	36 Å²	36	21.5 Å²	21.5	19%	0.193	11%	0.109	C	C	.	.	H	α-helix	trans	-61.3	-50.4	178.3	-78	-29	0	0	0	112.4	I158 Q159 I164 H165 H166 Y203	I158-D162 PolarHBondContact O-N 3.36Å; Q159-D162 PolarHBondContact O-N 3.25Å; D162-I164 VanDerWaalsContact C-N 3.25Å; D162-I164 PolarHBondContact O-N 2.99Å; D162-H165 PolarHBondContact O-N 2.82Å; D162-H166 PolarHBondContact O-N 2.95Å; D162-H166 PolarHBondContact O-ND1 2.83Å; D162-Y203 VanDerWaalsContact OD1-CE1 3.29Å; D162-Y203 WeakPolarHBondContact OD1-CE1 3.4Å; D162-Y203 VanDerWaalsContact OD1-CZ 3.32Å; D162-Y203 PolarHBondContact OD1-OH 2.99Å; D162-Y203 PolarHBondContact OD2-OH 3.21Å
163	L	98.1	Very high	97.5	Very high	27 Å²	27	21.5 Å²	21.5	14%	0.141	11%	0.109	C	C	.	.	H	α-helix	trans	-59.9	-37.9	-178.9	-70.1	166.6	0	0	0	111.6	A53 I55 I97 Q159 G167 D168 V169	A53-L163 HydrophobicContact CB-CD1 4.33Å; I55-L163 HydrophobicContact CD1-CD1 4.19Å; I97-L163 HydrophobicContact CD1-CD1 4.17Å; I97-L163 HydrophobicContact CG1-CD1 3.82Å; Q159-L163 WeakPolarHBondContact O-CB 3.23Å; Q159-L163 VanDerWaalsContact O-CG 3.23Å; Q159-L163 WeakPolarHBondContact O-CG 3.48Å; Q159-L163 PolarHBondContact O-N 3Å; L163-G167 CarbonylContact O-C 3.54Å; L163-G167 PolarHBondContact O-N 3.37Å; L163-G167 VanDerWaalsContact O-N 3.08Å; L163-D168 HydrophobicContact CB-CB 4.48Å; L163-D168 HydrophobicContact CD2-CB 3.94Å; L163-D168 PolarHBondContact O-N 3.08Å; L163-V169 HydrophobicContact CB-CG2 3.65Å; L163-V169 PolarHBondContact O-N 3.32Å
164	I	97.5	Very high	97.5	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.015	11%	0.109	C	C	.	.	H	α-helix	trans	-74.3	-40.1	177.1	-71.6	179	0	0	0	111.6	A160 V161 D162 G167 V169 A172 L304 K343 I345	A160-I164 WeakPolarHBondContact O-CB 3.38Å; A160-I164 WeakPolarHBondContact O-CG1 3.26Å; A160-I164 PolarHBondContact O-N 2.93Å; A160-I164 VanDerWaalsContact O-N 3.11Å; V161-I164 PolarHBondContact O-N 3.29Å; D162-I164 VanDerWaalsContact C-N 3.25Å; D162-I164 PolarHBondContact O-N 2.99Å; I164-G167 WeakPolarHBondContact O-CA 3.22Å; I164-G167 PolarHBondContact O-N 3.45Å; I164-G167 VanDerWaalsContact O-N 3.13Å; I164-V169 HydrophobicContact CG1-CG2 3.79Å; I164-A172 HydrophobicContact CD1-CB 4.38Å; I164-L304 HydrophobicContact CG2-CD1 4.42Å; I164-K343 HydrophobicContact CG2-CB 3.62Å; I164-K343 HydrophobicContact CG2-CD 3.9Å; I164-K343 HydrophobicContact CG2-CG 3.51Å; I164-I345 HydrophobicContact CD1-CD1 3.9Å; I164-I345 HydrophobicContact CD1-CG1 3.34Å
165	H	97.1	Very high	97.5	Very high	73 Å²	73	21.5 Å²	21.5	34%	0.338	11%	0.109	S	C	.	.	H	α-helix	trans	-63.2	-47.1	179.4	-179.8	73.9	0	0	0	111.8	V161 D162 G167 L208 Y210	V161-H165 WeakPolarHBondContact O-CB 3.43Å; V161-H165 PolarHBondContact O-N 3.47Å; D162-H165 PolarHBondContact O-N 2.82Å; H165-G167 PolarHBondContact O-N 3.49Å; H165-L208 HydrophobicContact CB-CD1 3.9Å; H165-Y210 AromaticContact ND1-CE2 3.4Å; H165-Y210 WeakPolarHBondContact ND1-CE2 3.47Å; H165-Y210 AromaticContact ND1-CZ 3.8Å; H165-Y210 PolarHBondContact ND1-OH 2.88Å
166	H	95.2	Very high	97.5	Very high	122 Å²	122	21.4 Å²	21.4	57%	0.565	11%	0.108	S	C	*	.	H	α-helix	trans	-70.8	-19	173.9	-59.4	117.1	0	0	0	112.3	D162	D162-H166 PolarHBondContact O-N 2.95Å; D162-H166 PolarHBondContact O-ND1 2.83Å
167	G	92	Very high	97.5	Very high	14 Å²	14	21.4 Å²	21.4	14%	0.144	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	33.6	178.9	0	0	0	0	0	112.7	K50 L163 I164 H165	K50-G167 WeakPolarHBondContact CD-O 3.18Å; K50-G167 WeakPolarHBondContact CE-O 3.22Å; K50-G167 PolarHBondContact NZ-O 3.09Å; L163-G167 CarbonylContact O-C 3.54Å; L163-G167 PolarHBondContact O-N 3.37Å; L163-G167 VanDerWaalsContact O-N 3.08Å; I164-G167 WeakPolarHBondContact O-CA 3.22Å; I164-G167 PolarHBondContact O-N 3.45Å; I164-G167 VanDerWaalsContact O-N 3.13Å; H165-G167 PolarHBondContact O-N 3.49Å
168	D	94.5	Very high	97.4	Very high	96 Å²	96	21.5 Å²	21.5	51%	0.513	11%	0.108	S	C	.	.	S	Bend	trans	-71.9	-34.6	168.9	-61.5	-46.6	0	0	0	110.9	L163	L163-D168 HydrophobicContact CB-CB 4.48Å; L163-D168 HydrophobicContact CD2-CB 3.94Å; L163-D168 PolarHBondContact O-N 3.08Å
169	V	96	Very high	97.4	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	11%	0.107	C	C	.	.			trans	-131.8	159	175.2	-58.9	0	0	0	0	110.6	G51 A53 L95 L163 I164	G51-V169 WeakPolarHBondContact O-CB 3.38Å; A53-V169 HydrophobicContact CB-CB 4.33Å; A53-V169 HydrophobicContact CB-CG1 4.03Å; A53-V169 HydrophobicContact CB-CG2 3.99Å; L95-V169 HydrophobicContact CB-CG1 4.35Å; L95-V169 HydrophobicContact CD2-CG1 3.59Å; L163-V169 HydrophobicContact CB-CG2 3.65Å; L163-V169 PolarHBondContact O-N 3.32Å; I164-V169 HydrophobicContact CG1-CG2 3.79Å
170	R	94.7	Very high	97.3	Very high	25 Å²	25	19.3 Å²	19.3	9%	0.094	10%	0.098	C	C	.	.	S	Bend	trans	-79.3	-48.8	175.9	168.3	177	64.6	-172.9	-0.8	111.2	K50 G51 G342 K343 L368 G827 N829	K50-R170 HydrophobicContact CB-CB 4.08Å; K50-R170 WeakPolarHBondContact O-CB 3.47Å; K50-R170 PolarHBondContact O-N 3.3Å; G51-R170 PolarHBondContact O-N 3.33Å; R170-G342 WeakPolarHBondContact CG-O 3.09Å; R170-K343 WeakPolarHBondContact O-CA 3.48Å; R170-L368 PolarHBondContact NH2-O 3.27Å; R170-G827 PolarHBondContact NH1-O 3.13Å; R170-N829 VanDerWaalsContact CD-CG 3.43Å; R170-N829 WeakPolarHBondContact CD-ND2 3.32Å; R170-N829 WeakPolarHBondContact CD-OD1 3.47Å; R170-N829 PolarHBondContact NH1-OD1 3.21Å
171	N	98.3	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	167.9	-171.6	56.2	35.1	0	0	0	109.6	T52 A53 V344 L368	T52-N171 WeakPolarHBondContact CA-O 3.47Å; T52-N171 WeakPolarHBondContact CA-OD1 3.29Å; T52-N171 VanDerWaalsContact CB-OD1 3.22Å; T52-N171 WeakPolarHBondContact CB-OD1 3.34Å; T52-N171 VanDerWaalsContact CG2-OD1 3.27Å; T52-N171 WeakPolarHBondContact CG2-OD1 3.22Å; T52-N171 PolarHBondContact OG1-OD1 2.91Å; A53-N171 PolarHBondContact N-O 2.88Å; N171-V344 VanDerWaalsContact CA-O 3.22Å; N171-V344 WeakPolarHBondContact CA-O 3.02Å; N171-V344 HydrophobicContact CB-CB 4.39Å; N171-V344 WeakPolarHBondContact CB-O 3.1Å; N171-L368 HydrophobicContact CB-CD2 4.07Å; N171-L368 PolarHBondContact ND2-O 3.48Å
172	A	98.7	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.9	-177.1	0	0	0	0	0	112.2	A53 A160 I164 V344 I345 V346	A53-A172 HydrophobicContact CB-CB 3.94Å; A53-A172 CarbonylContact O-C 3.55Å; A53-A172 VanDerWaalsContact O-CA 3.3Å; A53-A172 WeakPolarHBondContact O-CA 3.29Å; A160-A172 HydrophobicContact CB-CB 3.71Å; I164-A172 HydrophobicContact CD1-CB 4.38Å; A172-V344 PolarHBondContact N-O 2.85Å; A172-I345 HydrophobicContact CB-CG1 4.46Å; A172-I345 WeakPolarHBondContact O-CA 3.32Å; A172-V346 PolarHBondContact O-N 2.88Å
173	F	98.9	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.7	162.9	-167.2	-81.4	0	0	0	109.4	A53 F54 I55 L175 V346 V361 T364 L365 L368	A53-F173 PolarHBondContact O-N 3.31Å; F54-F173 HydrophobicContact CD2-CB 3.88Å; F54-F173 HydrophobicContact CD2-CD1 4.01Å; F54-F173 HydrophobicContact CD2-CG 4.24Å; F54-F173 HydrophobicContact CE2-CB 4.21Å; F54-F173 AromaticContact CE2-CD1 3.49Å; F54-F173 HydrophobicContact CE2-CD1 3.49Å; F54-F173 VanDerWaalsContact CE2-CD1 3.49Å; F54-F173 HydrophobicContact CE2-CE1 4.2Å; F54-F173 HydrophobicContact CE2-CG 4.04Å; F54-F173 HydrophobicContact CZ-CD1 4.11Å; I55-F173 PolarHBondContact N-O 3.35Å; F173-L175 HydrophobicContact CD1-CB 4.19Å; F173-L175 HydrophobicContact CE1-CB 3.98Å; F173-L175 HydrophobicContact CE1-CD1 4.12Å; F173-V346 CarbonylContact C-O 3.58Å; F173-V346 WeakPolarHBondContact CA-O 3.34Å; F173-V346 HydrophobicContact CD2-CB 3.91Å; F173-V346 HydrophobicContact CD2-CG1 3.97Å; F173-V346 HydrophobicContact CE2-CB 4.24Å; F173-V346 HydrophobicContact CE2-CG1 3.78Å; F173-V361 HydrophobicContact CE1-CG1 3.76Å; F173-V361 HydrophobicContact CE2-CG1 3.93Å; F173-V361 HydrophobicContact CZ-CB 4.27Å; F173-V361 HydrophobicContact CZ-CG1 3.44Å; F173-V361 VanDerWaalsContact CZ-CG1 3.44Å; F173-V361 HydrophobicContact CZ-CG2 3.97Å; F173-T364 HydrophobicContact CD2-CG2 4.11Å; F173-T364 HydrophobicContact CE2-CG2 3.96Å; F173-L365 HydrophobicContact CB-CD1 4.13Å; F173-L368 HydrophobicContact CB-CD1 4.03Å; F173-L368 HydrophobicContact CD2-CD1 4.21Å
174	C	98.9	Very high	97.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	96.2	175.3	-61.1	0	0	0	0	108.8	V176 V346 G347 L348	C174-V176 HydrophobicContact CB-CG1 3.93Å; C174-V176 PolarHBondContact O-N 2.95Å; C174-V176 VanDerWaalsContact O-N 3.12Å; C174-V346 PolarHBondContact N-O 2.94Å; C174-G347 WeakPolarHBondContact O-CA 3.45Å; C174-L348 PolarHBondContact O-N 3.4Å; C174-L348 VanDerWaalsContact O-N 3.13Å
175	L	98.8	Very high	97.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.			trans	-79	97.9	171.7	-177.5	68.8	0	0	0	108	F54 I55 F78 T81 I82 F173 L348	F54-L175 HydrophobicContact CE1-CB 3.96Å; F54-L175 HydrophobicContact CE1-CD2 4.15Å; F54-L175 HydrophobicContact CZ-CB 3.73Å; F54-L175 HydrophobicContact CZ-CD2 3.97Å; F54-L175 HydrophobicContact CZ-CG 4.38Å; I55-L175 PolarHBondContact O-N 2.9Å; F78-L175 HydrophobicContact CD1-CD2 4.15Å; F78-L175 HydrophobicContact CD2-CD2 3.93Å; F78-L175 HydrophobicContact CD2-CG 3.76Å; F78-L175 HydrophobicContact CE1-CD2 4.23Å; F78-L175 HydrophobicContact CE2-CD2 4.02Å; F78-L175 HydrophobicContact CE2-CG 3.89Å; F78-L175 VanDerWaalsContact CE2-O 3.23Å; F78-L175 WeakPolarHBondContact CE2-O 3.28Å; F78-L175 HydrophobicContact CG-CD2 4.02Å; F78-L175 HydrophobicContact CG-CG 4.3Å; F78-L175 HydrophobicContact CZ-CD2 4.19Å; T81-L175 HydrophobicContact CG2-CD1 3.67Å; T81-L175 HydrophobicContact CG2-CD2 4.16Å; I82-L175 HydrophobicContact CD1-CD2 3.46Å; I82-L175 VanDerWaalsContact CD1-CD2 3.46Å; I82-L175 HydrophobicContact CG1-CD2 3.6Å; F173-L175 HydrophobicContact CD1-CB 4.19Å; F173-L175 HydrophobicContact CE1-CB 3.98Å; F173-L175 HydrophobicContact CE1-CD1 4.12Å; L175-L348 HydrophobicContact CD1-CB 4.49Å; L175-L348 HydrophobicContact CD1-CD2 3.69Å
176	V	98.5	Very high	97.2	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	11%	0.105	C	C	.	.			trans	-125.6	153.3	-171.4	-62.6	0	0	0	0	112.8	M60 S153 S156 C174	M60-V176 HydrophobicContact CE-CG1 4.15Å; M60-V176 HydrophobicContact SD-CB 4.23Å; M60-V176 HydrophobicContact SD-CG1 4.38Å; S153-V176 VanDerWaalsContact OG-CB 3.27Å; S153-V176 WeakPolarHBondContact OG-CB 3.43Å; S153-V176 WeakPolarHBondContact OG-CG2 3.5Å; S156-V176 WeakPolarHBondContact OG-CG1 3.34Å; C174-V176 HydrophobicContact CB-CG1 3.93Å; C174-V176 PolarHBondContact O-N 2.95Å; C174-V176 VanDerWaalsContact O-N 3.12Å
177	R	97.4	Very high	97.3	Very high	1 Å²	1	16 Å²	16	0%	0.004	9%	0.087	C	C	.	.	S	Bend	trans	-157.8	143.7	163	57.8	-174	-65.4	-93.4	0.1	110.3	M60 H63 E73 C74 P75 F78 Y141	M60-R177 HydrophobicContact CB-CG 3.99Å; M60-R177 PolarHBondContact O-NH1 3.33Å; H63-R177 PolarHBondContact O-NH1 3.06Å; H63-R177 PolarHBondContact O-NH2 3.3Å; E73-R177 IonicContact OE1-CZ 2.67Å; E73-R177 IonicContact OE1-NE 3.26Å; E73-R177 PolarHBondContact OE1-NE 2.86Å; E73-R177 IonicContact OE1-NH2 3.97Å; E73-R177 PolarHBondContact OE1-NH2 3.38Å; E73-R177 IonicContact OE2-CZ 3.61Å; E73-R177 IonicContact OE2-NE 3.28Å; E73-R177 IonicContact OE2-NH2 3.57Å; E73-R177 PolarHBondContact OE2-NH2 3.11Å; C74-R177 VanDerWaalsContact C-CZ 3.42Å; C74-R177 PolarHBondContact O-NE 3.05Å; P75-R177 VanDerWaalsContact CA-CZ 3.45Å; P75-R177 VanDerWaalsContact CA-NH1 3.31Å; P75-R177 VanDerWaalsContact N-CZ 3.32Å; F78-R177 HydrophobicContact CB-CG 4.49Å; F78-R177 HydrophobicContact CD2-CG 4.06Å; Y141-R177 PolarHBondContact OH-NH2 3.47Å
178	P	97.8	Very high	97.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	8%	0.081	C	C	.	.	S	Bend	cis	-66.2	160.5	-0.9	27	-34.2	0	0	0	114	A150 S153 F191 I193	A150-P178 HydrophobicContact CB-CG 3.91Å; S153-P178 PolarHBondContact OG-O 2.98Å; P178-F191 WeakPolarHBondContact CB-O 3.35Å; P178-I193 HydrophobicContact CB-CG1 4.07Å; P178-I193 HydrophobicContact CG-CB 4.11Å; P178-I193 HydrophobicContact CG-CG1 3.59Å
179	P	98	Very high	97.6	Very high	3 Å²	3	10.9 Å²	10.9	2%	0.019	6%	0.057	C	C	.	.			trans	-66	178.9	173.1	30.2	-35.8	0	0	0	112.1	F191 C192 E349	P179-F191 HydrophobicContact CG-CB 3.81Å; P179-C192 VanDerWaalsContact C-SG 3.51Å; P179-C192 VanDerWaalsContact O-CA 3.29Å; P179-C192 WeakPolarHBondContact O-CA 3.48Å; P179-C192 WeakPolarHBondContact O-CB 3.45Å; P179-E349 WeakPolarHBondContact CB-OE2 3.46Å
180	G	97.7	Very high	97.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.			trans	-131.9	-38.5	-169.5	0	0	0	0	0	118.3	H182 A183 C192 Y194 N195 N196 E349	G180-H182 PolarHBondContact O-N 3.27Å; G180-A183 WeakPolarHBondContact O-CB 3.46Å; G180-A183 PolarHBondContact O-N 3.31Å; G180-C192 VanDerWaalsContact C-SG 3.52Å; G180-C192 PolarHBondContact N-SG 3.25Å; G180-C192 VanDerWaalsContact N-SG 3.39Å; G180-Y194 WeakPolarHBondContact CA-O 3.19Å; G180-N195 VanDerWaalsContact O-CA 3.26Å; G180-N195 WeakPolarHBondContact O-CA 3.48Å; G180-N196 PolarHBondContact N-ND2 2.91Å; G180-E349 PolarHBondContact N-OE2 2.84Å
181	H	98.1	Very high	97.5	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.014	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-8.7	-162.9	73.3	151.4	0	0	0	117.5	D217 D219 T225 E349	H181-D217 IonicContact CE1-OD2 2.71Å; H181-D217 IonicContact CG-OD2 3.59Å; H181-D217 IonicContact ND1-OD1 2.96Å; H181-D217 IonicContact ND1-OD2 3.57Å; H181-D217 PolarHBondContact ND1-OD2 3.26Å; H181-D219 VanDerWaalsContact CE1-CB 3.45Å; H181-D219 WeakPolarHBondContact CE1-CB 3.29Å; H181-D219 IonicContact CE1-OD1 3.47Å; H181-D219 IonicContact CE1-OD2 3.59Å; H181-D219 IonicContact NE2-OD2 3.28Å; H181-T225 PolarHBondContact O-OG1 3.31Å; H181-E349 IonicContact CD2-OE2 2.69Å; H181-E349 PolarHBondContact N-OE2 3.02Å
182	H	97.9	Very high	97.5	Very high	5 Å²	5	11.2 Å²	11.2	2%	0.023	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-7.5	173.8	-62.9	-58.8	0	0	0	114.7	G180 L184 C189 C192 H222 N224 T225 W250	G180-H182 PolarHBondContact O-N 3.27Å; H182-L184 PolarHBondContact O-N 3.21Å; H182-C189 WeakPolarHBondContact CB-O 3.33Å; H182-C189 WeakPolarHBondContact O-CB 3.36Å; H182-C192 HydrophobicContact CB-CB 4.09Å; H182-H222 PolarHBondContact CE1-O 3.14Å; H182-H222 PolarHBondContact ND1-O 2.94Å; H182-N224 PolarHBondContact ND1-OD1 2.92Å; H182-T225 VanDerWaalsContact C-CG2 3.47Å; H182-T225 WeakPolarHBondContact O-CG2 3.45Å; H182-W250 AromaticContact CD2-CH2 3.69Å; H182-W250 AromaticContact CD2-CZ3 3.81Å; H182-W250 AromaticContact CE1-CH2 3.81Å; H182-W250 AromaticContact CE1-CZ3 3.47Å; H182-W250 VanDerWaalsContact CE1-CZ3 3.47Å; H182-W250 WeakPolarHBondContact CE1-CZ3 3.36Å; H182-W250 AromaticContact CG-CH2 3.83Å; H182-W250 AromaticContact ND1-CH2 3.9Å; H182-W250 AromaticContact NE2-CH2 3.65Å; H182-W250 AromaticContact NE2-CZ3 3.27Å; H182-W250 VanDerWaalsContact NE2-CZ3 3.27Å; H182-W250 WeakPolarHBondContact NE2-CZ3 3.23Å
183	A	98	Very high	97.4	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.			trans	-70	123	-178.5	0	0	0	0	0	110.2	G180 C192 N195 T225	G180-A183 WeakPolarHBondContact O-CB 3.46Å; G180-A183 PolarHBondContact O-N 3.31Å; A183-C192 HydrophobicContact CB-CB 3.83Å; A183-N195 HydrophobicContact CB-CB 4.2Å; A183-T225 PolarHBondContact N-OG1 2.89Å; A183-T225 VanDerWaalsContact O-CB 3.24Å; A183-T225 WeakPolarHBondContact O-CB 3.29Å; A183-T225 PolarHBondContact O-OG1 3.42Å
184	L	97.4	Very high	97.4	Very high	17 Å²	17	11.3 Å²	11.3	9%	0.089	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-77.3	168.6	176.7	-66.2	88.9	0	0	0	109.9	H111 H182 N186 E187 C189 T225 W427	H111-L184 PolarHBondContact CE1-O 3.35Å; H111-L184 PolarHBondContact ND1-O 3.38Å; H111-L184 VanDerWaalsContact ND1-O 3.08Å; H182-L184 PolarHBondContact O-N 3.21Å; L184-N186 PolarHBondContact O-N 3.5Å; L184-N186 VanDerWaalsContact O-N 3.08Å; L184-E187 HydrophobicContact CB-CB 4.18Å; L184-E187 HydrophobicContact CD1-CB 4.28Å; L184-E187 PolarHBondContact N-O 2.95Å; L184-C189 HydrophobicContact CD1-CB 3.67Å; L184-T225 HydrophobicContact CB-CG2 4.44Å; L184-T225 HydrophobicContact CD1-CG2 4.13Å; L184-T225 HydrophobicContact CG-CG2 3.76Å; L184-W427 HydrophobicContact CD1-CG 4.42Å; L184-W427 HydrophobicContact CD2-CB 4.35Å; L184-W427 VanDerWaalsContact CD2-CD1 3.45Å; L184-W427 HydrophobicContact CD2-CG 4.07Å
185	T	97.5	Very high	97.4	Very high	45 Å²	45	11.3 Å²	11.3	28%	0.276	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.3	176.8	57.3	0	0	0	0	113.9	Y110 H111 Q112	Y110-T185 HydrophobicContact CD1-CG2 4.48Å; Y110-T185 HydrophobicContact CD2-CG2 4.26Å; Y110-T185 HydrophobicContact CE1-CG2 4Å; Y110-T185 HydrophobicContact CE2-CG2 3.73Å; H111-T185 WeakPolarHBondContact CA-O 3.43Å; Q112-T185 PolarHBondContact N-O 3.24Å
186	N	97	Very high	97.4	Very high	79 Å²	79	11.4 Å²	11.4	42%	0.422	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.2	12.5	-174	69.3	-28.9	0	0	0	114.3	Q112 Y115 L184	Q112-N186 HydrophobicContact CG-CB 4.46Å; Y115-N186 VanDerWaalsContact CD2-O 3.31Å; Y115-N186 WeakPolarHBondContact CD2-O 3.34Å; L184-N186 PolarHBondContact O-N 3.5Å; L184-N186 VanDerWaalsContact O-N 3.08Å
187	E	96.6	Very high	97.4	Very high	44 Å²	44	11.3 Å²	11.3	21%	0.206	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-156.4	132.6	-175.5	-174.4	177.1	113.6	0	0	111.5	L137 L184 W427 K431	L137-E187 HydrophobicContact CD2-CG 3.67Å; L184-E187 HydrophobicContact CB-CB 4.18Å; L184-E187 HydrophobicContact CD1-CB 4.28Å; L184-E187 PolarHBondContact N-O 2.95Å; E187-W427 PolarHBondContact OE1-NE1 3.27Å; E187-K431 WeakPolarHBondContact OE1-CD 3.26Å; E187-K431 WeakPolarHBondContact OE1-CE 3.35Å; E187-K431 IonicContact OE1-NZ 2.82Å; E187-K431 PolarHBondContact OE1-NZ 2.72Å; E187-K431 IonicContact OE2-NZ 2.77Å; E187-K431 PolarHBondContact OE2-NZ 2.99Å
188	A	97.2	Very high	97.5	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.008	6%	0.06	C	C	.	.			trans	-75.3	141.7	168.2	0	0	0	0	0	110.4	Y115 L137 V140 F142 C192 I193	Y115-A188 WeakPolarHBondContact OH-CA 3.39Å; Y115-A188 VanDerWaalsContact OH-CB 3.28Å; Y115-A188 WeakPolarHBondContact OH-CB 3.28Å; Y115-A188 PolarHBondContact OH-N 2.87Å; Y115-A188 VanDerWaalsContact OH-N 3.15Å; L137-A188 HydrophobicContact CD1-CB 3.99Å; V140-A188 HydrophobicContact CB-CB 4.5Å; V140-A188 HydrophobicContact CG1-CB 3.87Å; V140-A188 HydrophobicContact CG2-CB 3.92Å; F142-A188 HydrophobicContact CZ-CB 4.05Å; A188-C192 VanDerWaalsContact CA-O 3.31Å; A188-C192 WeakPolarHBondContact CA-O 3.27Å; A188-C192 VanDerWaalsContact CB-O 3.31Å; A188-C192 WeakPolarHBondContact CB-O 3.14Å; A188-I193 HydrophobicContact CB-CD1 3.87Å
189	C	95.7	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-155	142.6	-175.2	170.6	0	0	0	0	111	H182 L184 F191 C192 W427	H182-C189 WeakPolarHBondContact CB-O 3.33Å; H182-C189 WeakPolarHBondContact O-CB 3.36Å; L184-C189 HydrophobicContact CD1-CB 3.67Å; C189-F191 PolarHBondContact O-N 3.18Å; C189-C192 PolarHBondContact N-O 3.45Å; C189-C192 WeakPolarHBondContact O-CA 3.48Å; C189-C192 VanDerWaalsContact O-CB 3.23Å; C189-C192 WeakPolarHBondContact O-CB 3.29Å; C189-C192 PolarHBondContact O-N 3.47Å; C189-W427 HydrophobicContact CB-CZ2 4.17Å; C189-W427 WeakPolarHBondContact SG-CH2 3.48Å; C189-W427 WeakPolarHBondContact SG-CZ2 3.24Å
190	G	93.4	Very high	97.6	Very high	5 Å²	5	11.1 Å²	11.1	5%	0.052	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	53.7	168.5	0	0	0	0	0	112.4	D138 C192	D138-G190 PolarHBondContact O-N 2.95Å; G190-C192 PolarHBondContact O-N 3.01Å; G190-C192 PolarHBondContact O-SG 2.85Å
191	F	95.1	Very high	97.7	Very high	30 Å²	30	11.1 Å²	11.1	13%	0.132	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-11.6	-172	-43	-48.5	0	0	0	116.2	F71 E73 S139 P178 P179 C189 Y352	F71-F191 HydrophobicContact CD1-CE1 4.32Å; F71-F191 AromaticContact CE1-CD1 3.58Å; F71-F191 HydrophobicContact CE1-CD1 3.58Å; F71-F191 AromaticContact CE1-CE1 3.29Å; F71-F191 HydrophobicContact CE1-CE1 3.29Å; F71-F191 HydrophobicContact CE1-CZ 4.38Å; F71-F191 HydrophobicContact CZ-CD1 4.1Å; F71-F191 AromaticContact CZ-CE1 3.54Å; F71-F191 HydrophobicContact CZ-CE1 3.54Å; E73-F191 HydrophobicContact CB-CB 4.18Å; E73-F191 HydrophobicContact CB-CD1 3.84Å; E73-F191 HydrophobicContact CB-CD2 4.31Å; E73-F191 HydrophobicContact CB-CE1 4.35Å; E73-F191 HydrophobicContact CB-CG 3.84Å; E73-F191 HydrophobicContact CG-CB 3.93Å; E73-F191 HydrophobicContact CG-CG 4.13Å; S139-F191 WeakPolarHBondContact O-CA 3.48Å; S139-F191 WeakPolarHBondContact O-CD1 3.5Å; S139-F191 WeakPolarHBondContact O-CE1 3.34Å; S139-F191 PolarHBondContact O-N 3.42Å; P178-F191 WeakPolarHBondContact CB-O 3.35Å; P179-F191 HydrophobicContact CG-CB 3.81Å; C189-F191 PolarHBondContact O-N 3.18Å; F191-Y352 HydrophobicContact CD2-CE1 4.09Å; F191-Y352 AromaticContact CD2-CZ 3.9Å; F191-Y352 VanDerWaalsContact CD2-OH 3.24Å; F191-Y352 WeakPolarHBondContact CD2-OH 3.4Å; F191-Y352 AromaticContact CE2-CE1 3.85Å; F191-Y352 HydrophobicContact CE2-CE1 3.85Å; F191-Y352 HydrophobicContact CE2-CE2 4.39Å; F191-Y352 AromaticContact CE2-CZ 3.61Å; F191-Y352 WeakPolarHBondContact CE2-OH 3.18Å
192	C	98.1	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-89.1	131.4	-173.5	-57.1	0	0	0	0	111.9	P179 G180 H182 A183 A188 C189 G190	P179-C192 VanDerWaalsContact C-SG 3.51Å; P179-C192 VanDerWaalsContact O-CA 3.29Å; P179-C192 WeakPolarHBondContact O-CA 3.48Å; P179-C192 WeakPolarHBondContact O-CB 3.45Å; G180-C192 VanDerWaalsContact C-SG 3.52Å; G180-C192 PolarHBondContact N-SG 3.25Å; G180-C192 VanDerWaalsContact N-SG 3.39Å; H182-C192 HydrophobicContact CB-CB 4.09Å; A183-C192 HydrophobicContact CB-CB 3.83Å; A188-C192 VanDerWaalsContact CA-O 3.31Å; A188-C192 WeakPolarHBondContact CA-O 3.27Å; A188-C192 VanDerWaalsContact CB-O 3.31Å; A188-C192 WeakPolarHBondContact CB-O 3.14Å; C189-C192 PolarHBondContact N-O 3.45Å; C189-C192 WeakPolarHBondContact O-CA 3.48Å; C189-C192 VanDerWaalsContact O-CB 3.23Å; C189-C192 WeakPolarHBondContact O-CB 3.29Å; C189-C192 PolarHBondContact O-N 3.47Å; G190-C192 PolarHBondContact O-N 3.01Å; G190-C192 PolarHBondContact O-SG 2.85Å
193	I	98.4	Very high	97.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.067	C	C	.	.	S	Bend	trans	-103.1	-51.2	179.5	-52.3	-54.9	0	0	0	111.6	Y115 I119 V140 F142 T146 A150 P178 A188	Y115-I193 PolarHBondContact OH-O 3.16Å; I119-I193 HydrophobicContact CD1-CG2 4.37Å; I119-I193 HydrophobicContact CG1-CG2 4.36Å; I119-I193 HydrophobicContact CG2-CG2 3.96Å; V140-I193 HydrophobicContact CG1-CD1 3.71Å; F142-I193 HydrophobicContact CD1-CD1 4.43Å; F142-I193 HydrophobicContact CE1-CD1 3.73Å; F142-I193 HydrophobicContact CE1-CG2 4.46Å; F142-I193 HydrophobicContact CZ-CD1 4.24Å; T146-I193 HydrophobicContact CG2-CD1 4.15Å; T146-I193 HydrophobicContact CG2-CG1 3.91Å; A150-I193 HydrophobicContact CB-CB 3.8Å; A150-I193 HydrophobicContact CB-CG1 4.39Å; A150-I193 HydrophobicContact CB-CG2 3.8Å; P178-I193 HydrophobicContact CB-CG1 4.07Å; P178-I193 HydrophobicContact CG-CB 4.11Å; P178-I193 HydrophobicContact CG-CG1 3.59Å; A188-I193 HydrophobicContact CB-CD1 3.87Å
194	Y	98.7	Very high	97.8	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	7%	0.067	C	C	.	.	S	Bend	trans	-124.1	137.8	172.5	-63.5	-55.2	0	0	0	109.5	L107 H111 Y115 I116 I119 D147 A150 R151 V154 G180 N196	L107-Y194 HydrophobicContact CD1-CD2 4.42Å; L107-Y194 HydrophobicContact CD1-CE1 4.02Å; L107-Y194 HydrophobicContact CD1-CE2 3.81Å; L107-Y194 HydrophobicContact CD2-CD1 4.17Å; L107-Y194 HydrophobicContact CD2-CD2 3.75Å; L107-Y194 HydrophobicContact CD2-CE1 4.37Å; L107-Y194 HydrophobicContact CD2-CE2 4Å; L107-Y194 HydrophobicContact CD2-CG 3.86Å; H111-Y194 AromaticContact CD2-CD1 3.61Å; H111-Y194 WeakPolarHBondContact NE2-CA 3.29Å; H111-Y194 AromaticContact NE2-CD1 3.72Å; Y115-Y194 HydrophobicContact CD1-CE1 4.46Å; Y115-Y194 HydrophobicContact CE1-CD1 4.03Å; Y115-Y194 HydrophobicContact CE1-CE1 4.01Å; I116-Y194 HydrophobicContact CG1-CE1 4.29Å; I119-Y194 WeakPolarHBondContact CB-OH 3.38Å; I119-Y194 HydrophobicContact CG1-CE1 4.32Å; I119-Y194 HydrophobicContact CG2-CE2 4.37Å; I119-Y194 WeakPolarHBondContact CG2-OH 3.39Å; D147-Y194 PolarHBondContact OD1-OH 3.35Å; A150-Y194 HydrophobicContact CB-CD2 3.56Å; A150-Y194 HydrophobicContact CB-CE2 3.86Å; R151-Y194 HydrophobicContact CG-CE2 4.13Å; V154-Y194 HydrophobicContact CG2-CD2 4.29Å; V154-Y194 HydrophobicContact CG2-CG 4.35Å; G180-Y194 WeakPolarHBondContact CA-O 3.19Å; Y194-N196 PolarHBondContact O-N 3.43Å; Y194-N196 PolarHBondContact O-OD1 3.11Å
195	N	98.7	Very high	97.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.			trans	-73.2	92.2	176.3	-168.3	-34.4	0	0	0	111.9	Y110 H111 G180 A183 V197 A198 I199 T225 T226	Y110-N195 HydrophobicContact CD1-CB 3.86Å; Y110-N195 HydrophobicContact CE1-CB 3.71Å; H111-N195 PolarHBondContact NE2-N 3.32Å; G180-N195 VanDerWaalsContact O-CA 3.26Å; G180-N195 WeakPolarHBondContact O-CA 3.48Å; A183-N195 HydrophobicContact CB-CB 4.2Å; N195-V197 PolarHBondContact O-N 2.94Å; N195-V197 VanDerWaalsContact OD1-CG1 3.31Å; N195-V197 WeakPolarHBondContact OD1-CG1 3.41Å; N195-V197 PolarHBondContact OD1-N 3.23Å; N195-A198 HydrophobicContact CB-CB 4.03Å; N195-A198 VanDerWaalsContact CG-CB 3.4Å; N195-A198 VanDerWaalsContact OD1-CB 3.26Å; N195-A198 WeakPolarHBondContact OD1-CB 3.36Å; N195-A198 PolarHBondContact OD1-N 2.89Å; N195-I199 WeakPolarHBondContact O-CB 3.31Å; N195-I199 WeakPolarHBondContact O-CD1 3.38Å; N195-I199 VanDerWaalsContact O-CG1 3.23Å; N195-I199 WeakPolarHBondContact O-CG1 3.06Å; N195-I199 PolarHBondContact O-N 3.12Å; N195-I199 VanDerWaalsContact O-N 3.1Å; N195-T225 PolarHBondContact ND2-OG1 2.95Å; N195-T226 PolarHBondContact ND2-N 3.37Å; N195-T226 PolarHBondContact ND2-OG1 3.11Å
196	N	98.8	Very high	97.9	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.011	8%	0.077	C	C	.	.	H	α-helix	trans	-58.1	-49.1	-176.7	-53.3	-46.1	0	0	0	112.7	S153 V154 W157 G180 Y194 I199 A200	S153-N196 PolarHBondContact OG-ND2 2.96Å; S153-N196 PolarHBondContact OG-OD1 3.1Å; V154-N196 VanDerWaalsContact CG2-OD1 3.22Å; V154-N196 WeakPolarHBondContact CG2-OD1 3.4Å; V154-N196 PolarHBondContact N-OD1 3.27Å; W157-N196 VanDerWaalsContact CD1-CB 3.47Å; W157-N196 HydrophobicContact CD2-CB 4.34Å; W157-N196 HydrophobicContact CG-CB 3.96Å; G180-N196 PolarHBondContact N-ND2 2.91Å; Y194-N196 PolarHBondContact O-N 3.43Å; Y194-N196 PolarHBondContact O-OD1 3.11Å; N196-I199 PolarHBondContact O-N 3.15Å; N196-A200 WeakPolarHBondContact O-CB 3.4Å; N196-A200 PolarHBondContact O-N 3.02Å
197	V	98.7	Very high	97.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-70.2	-38.2	-174.9	67.1	0	0	0	0	111.9	W157 N195 A200 A201 I215 T226 L306	W157-V197 HydrophobicContact CH2-CB 4.1Å; W157-V197 HydrophobicContact CH2-CG2 4.05Å; W157-V197 HydrophobicContact CZ2-CB 4.43Å; W157-V197 HydrophobicContact CZ3-CB 4.3Å; W157-V197 HydrophobicContact CZ3-CG2 4.03Å; N195-V197 PolarHBondContact O-N 2.94Å; N195-V197 VanDerWaalsContact OD1-CG1 3.31Å; N195-V197 WeakPolarHBondContact OD1-CG1 3.41Å; N195-V197 PolarHBondContact OD1-N 3.23Å; V197-A200 PolarHBondContact O-N 2.65Å; V197-A201 WeakPolarHBondContact O-CB 3.32Å; V197-A201 PolarHBondContact O-N 3.09Å; V197-I215 HydrophobicContact CG2-CD1 4.19Å; V197-I215 HydrophobicContact CG2-CG1 4.42Å; V197-I215 HydrophobicContact CG2-CG2 3.95Å; V197-T226 HydrophobicContact CG1-CG2 3.89Å; V197-T226 WeakPolarHBondContact CG1-OG1 3.23Å; V197-L306 HydrophobicContact CG2-CB 3.94Å; V197-L306 HydrophobicContact CG2-CD1 4Å
198	A	98.8	Very high	98	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.2	-43.6	176.3	0	0	0	0	0	111.7	Y110 N195 A201 N202 A229 F230	Y110-A198 HydrophobicContact CD1-CB 4.49Å; Y110-A198 HydrophobicContact CD2-CB 4.09Å; Y110-A198 HydrophobicContact CE2-CB 4.35Å; Y110-A198 HydrophobicContact CG-CB 4.15Å; N195-A198 HydrophobicContact CB-CB 4.03Å; N195-A198 VanDerWaalsContact CG-CB 3.4Å; N195-A198 VanDerWaalsContact OD1-CB 3.26Å; N195-A198 WeakPolarHBondContact OD1-CB 3.36Å; N195-A198 PolarHBondContact OD1-N 2.89Å; A198-A201 PolarHBondContact O-N 3.05Å; A198-N202 WeakPolarHBondContact O-CB 3.37Å; A198-N202 PolarHBondContact O-N 2.98Å; A198-A229 HydrophobicContact CB-CB 3.93Å; A198-F230 HydrophobicContact CB-CE2 4.08Å; A198-F230 HydrophobicContact CB-CZ 4.23Å
199	I	98.9	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-44.7	174.9	-68	164	0	0	0	110.6	F106 L107 L109 V154 I158 N195 N196 A201 N202 Y203	F106-I199 VanDerWaalsContact O-CG2 3.32Å; F106-I199 WeakPolarHBondContact O-CG2 3.45Å; L107-I199 HydrophobicContact CD2-CD1 4.11Å; L109-I199 HydrophobicContact CD1-CG2 4.34Å; V154-I199 HydrophobicContact CG1-CB 4.29Å; V154-I199 HydrophobicContact CG1-CD1 3.92Å; V154-I199 HydrophobicContact CG1-CG2 3.69Å; V154-I199 HydrophobicContact CG2-CD1 3.82Å; I158-I199 HydrophobicContact CD1-CG2 4.05Å; N195-I199 WeakPolarHBondContact O-CB 3.31Å; N195-I199 WeakPolarHBondContact O-CD1 3.38Å; N195-I199 VanDerWaalsContact O-CG1 3.23Å; N195-I199 WeakPolarHBondContact O-CG1 3.06Å; N195-I199 PolarHBondContact O-N 3.12Å; N195-I199 VanDerWaalsContact O-N 3.1Å; N196-I199 PolarHBondContact O-N 3.15Å; I199-A201 PolarHBondContact O-N 3.41Å; I199-N202 PolarHBondContact O-N 2.96Å; I199-Y203 VanDerWaalsContact O-CB 3.29Å; I199-Y203 WeakPolarHBondContact O-CB 3.46Å; I199-Y203 PolarHBondContact O-N 2.75Å
200	A	98.9	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.8	-42.1	179.2	0	0	0	0	0	112.7	W157 V161 N196 V197 Y203 A204 L306	W157-A200 HydrophobicContact CB-CB 3.92Å; W157-A200 HydrophobicContact CE3-CB 4.04Å; V161-A200 HydrophobicContact CG2-CB 4.22Å; N196-A200 WeakPolarHBondContact O-CB 3.4Å; N196-A200 PolarHBondContact O-N 3.02Å; V197-A200 PolarHBondContact O-N 2.65Å; A200-Y203 PolarHBondContact O-N 3.22Å; A200-A204 WeakPolarHBondContact O-CB 3.48Å; A200-A204 PolarHBondContact O-N 3.41Å; A200-L306 HydrophobicContact CB-CD1 4.41Å
201	A	98.9	Very high	98.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-44.9	175.5	0	0	0	0	0	112	V197 A198 I199 Y203 A204 I205 I213 I215 F230 L306	V197-A201 WeakPolarHBondContact O-CB 3.32Å; V197-A201 PolarHBondContact O-N 3.09Å; A198-A201 PolarHBondContact O-N 3.05Å; I199-A201 PolarHBondContact O-N 3.41Å; A201-Y203 VanDerWaalsContact C-N 3.32Å; A201-Y203 PolarHBondContact O-N 3.39Å; A201-A204 PolarHBondContact O-N 3.49Å; A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.29Å; A201-I205 PolarHBondContact O-N 2.88Å; A201-I213 HydrophobicContact CB-CD1 4.22Å; A201-I215 HydrophobicContact CB-CD1 4.14Å; A201-F230 HydrophobicContact CB-CE1 4.19Å; A201-F230 HydrophobicContact CB-CE2 4.08Å; A201-F230 HydrophobicContact CB-CZ 3.51Å; A201-L306 HydrophobicContact CB-CD1 3.85Å
202	N	98.8	Very high	98.4	Very high	21 Å²	21	28.4 Å²	28.4	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-63.4	-38.3	175.2	-78.7	-19.4	0	0	0	111.8	L109 A198 I199 I205 E206 F230	L109-N202 HydrophobicContact CB-CB 4.06Å; L109-N202 PolarHBondContact O-ND2 3.37Å; A198-N202 WeakPolarHBondContact O-CB 3.37Å; A198-N202 PolarHBondContact O-N 2.98Å; I199-N202 PolarHBondContact O-N 2.96Å; N202-I205 PolarHBondContact O-N 3.14Å; N202-E206 VanDerWaalsContact O-CB 3.29Å; N202-E206 WeakPolarHBondContact O-CB 3.25Å; N202-E206 WeakPolarHBondContact O-CG 3.37Å; N202-E206 PolarHBondContact O-N 2.94Å; N202-F230 VanDerWaalsContact OD1-CE1 3.28Å; N202-F230 WeakPolarHBondContact OD1-CE1 3.48Å
203	Y	98.8	Very high	98.5	Very high	23 Å²	23	28.4 Å²	28.4	9%	0.09	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-50.4	173	175	-116.9	0	0	0	111.7	F106 L109 I158 V161 D162 I199 A200 A201 I205 E206 K207 L208	F106-Y203 HydrophobicContact CD1-CD2 4.12Å; F106-Y203 HydrophobicContact CD1-CE2 4.45Å; F106-Y203 AromaticContact CE1-CD2 3.74Å; F106-Y203 HydrophobicContact CE1-CD2 3.74Å; F106-Y203 AromaticContact CE1-CE2 3.62Å; F106-Y203 HydrophobicContact CE1-CE2 3.62Å; L109-Y203 HydrophobicContact CD1-CD2 4.28Å; L109-Y203 HydrophobicContact CD1-CG 4.5Å; I158-Y203 VanDerWaalsContact CD1-CB 3.46Å; I158-Y203 HydrophobicContact CD1-CD1 3.62Å; I158-Y203 HydrophobicContact CD1-CD2 4.21Å; I158-Y203 HydrophobicContact CD1-CE1 4.44Å; I158-Y203 HydrophobicContact CD1-CG 3.49Å; I158-Y203 VanDerWaalsContact CD1-CG 3.49Å; I158-Y203 HydrophobicContact CG2-CD1 4.26Å; I158-Y203 HydrophobicContact CG2-CE1 4.06Å; V161-Y203 HydrophobicContact CB-CD1 4.17Å; V161-Y203 HydrophobicContact CB-CE1 4.34Å; V161-Y203 HydrophobicContact CG1-CD1 3.78Å; V161-Y203 HydrophobicContact CG1-CE1 3.93Å; D162-Y203 VanDerWaalsContact OD1-CE1 3.29Å; D162-Y203 WeakPolarHBondContact OD1-CE1 3.4Å; D162-Y203 VanDerWaalsContact OD1-CZ 3.32Å; D162-Y203 PolarHBondContact OD1-OH 2.99Å; D162-Y203 PolarHBondContact OD2-OH 3.21Å; I199-Y203 VanDerWaalsContact O-CB 3.29Å; I199-Y203 WeakPolarHBondContact O-CB 3.46Å; I199-Y203 PolarHBondContact O-N 2.75Å; A200-Y203 PolarHBondContact O-N 3.22Å; A201-Y203 VanDerWaalsContact C-N 3.32Å; A201-Y203 PolarHBondContact O-N 3.39Å; Y203-I205 VanDerWaalsContact C-N 3.32Å; Y203-I205 PolarHBondContact O-N 2.64Å; Y203-E206 PolarHBondContact O-N 3.16Å; Y203-K207 HydrophobicContact CD2-CB 3.71Å; Y203-K207 HydrophobicContact CD2-CG 3.46Å; Y203-K207 VanDerWaalsContact CD2-CG 3.46Å; Y203-K207 HydrophobicContact CE2-CB 3.52Å; Y203-K207 HydrophobicContact CE2-CG 3.61Å; Y203-K207 WeakPolarHBondContact O-CB 3.38Å; Y203-K207 PolarHBondContact O-N 3.08Å; Y203-L208 HydrophobicContact CD1-CD1 4.24Å; Y203-L208 HydrophobicContact CE1-CD1 3.68Å; Y203-L208 HydrophobicContact CE1-CG 4.2Å
204	A	98.8	Very high	98.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-40.6	177.4	0	0	0	0	0	112.2	V161 A200 A201 L208 N209 Y210 I213 L304	V161-A204 HydrophobicContact CG1-CB 4.11Å; A200-A204 WeakPolarHBondContact O-CB 3.48Å; A200-A204 PolarHBondContact O-N 3.41Å; A201-A204 PolarHBondContact O-N 3.49Å; A204-L208 CarbonylContact O-C 3.29Å; A204-L208 VanDerWaalsContact O-C 3.29Å; A204-L208 WeakPolarHBondContact O-CA 3.47Å; A204-L208 WeakPolarHBondContact O-CB 3.34Å; A204-L208 PolarHBondContact O-N 2.72Å; A204-N209 PolarHBondContact O-N 2.76Å; A204-N209 VanDerWaalsContact O-N 3.08Å; A204-Y210 HydrophobicContact CB-CD2 3.79Å; A204-Y210 HydrophobicContact CB-CE2 4.41Å; A204-Y210 HydrophobicContact CB-CG 4.09Å; A204-Y210 WeakPolarHBondContact O-CD2 3.45Å; A204-Y210 PolarHBondContact O-N 3.28Å; A204-I213 HydrophobicContact CB-CD1 3.67Å; A204-L304 HydrophobicContact CB-CD2 3.99Å
205	I	98.7	Very high	98.5	Very high	17 Å²	17	28.3 Å²	28.3	9%	0.087	14%	0.135	C	C	.	.	H	α-helix	trans	-69.8	-51.6	178.9	-68.8	166.4	0	0	0	111.6	A201 N202 Y203 N209 I213 K235 V236	A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.29Å; A201-I205 PolarHBondContact O-N 2.88Å; N202-I205 PolarHBondContact O-N 3.14Å; Y203-I205 VanDerWaalsContact C-N 3.32Å; Y203-I205 PolarHBondContact O-N 2.64Å; I205-N209 PolarHBondContact O-N 3.03Å; I205-I213 HydrophobicContact CD1-CD1 4.14Å; I205-I213 HydrophobicContact CG1-CD1 3.7Å; I205-K235 HydrophobicContact CD1-CB 4.2Å; I205-K235 HydrophobicContact CG1-CD 4.48Å; I205-K235 HydrophobicContact CG2-CD 3.82Å; I205-V236 HydrophobicContact CD1-CG2 3.66Å
206	E	98.2	Very high	98.5	Very high	106 Å²	106	28.3 Å²	28.3	50%	0.495	14%	0.135	S	C	.	.	H	α-helix	trans	-82.8	-33.9	-168.7	-67.3	-174.2	-164.2	0	0	113.6	L109 N202 Y203	L109-E206 VanDerWaalsContact CD2-OE2 3.25Å; L109-E206 WeakPolarHBondContact CD2-OE2 3.37Å; N202-E206 VanDerWaalsContact O-CB 3.29Å; N202-E206 WeakPolarHBondContact O-CB 3.25Å; N202-E206 WeakPolarHBondContact O-CG 3.37Å; N202-E206 PolarHBondContact O-N 2.94Å; Y203-E206 PolarHBondContact O-N 3.16Å
207	K	98.1	Very high	98.5	Very high	124 Å²	124	28.2 Å²	28.2	54%	0.539	13%	0.134	S	C	.	.	H	α-helix	trans	-103.9	-30.3	-174.3	-52.4	-53.9	-179	-167.8	0	112.8	Y203	Y203-K207 HydrophobicContact CD2-CB 3.71Å; Y203-K207 HydrophobicContact CD2-CG 3.46Å; Y203-K207 VanDerWaalsContact CD2-CG 3.46Å; Y203-K207 HydrophobicContact CE2-CB 3.52Å; Y203-K207 HydrophobicContact CE2-CG 3.61Å; Y203-K207 WeakPolarHBondContact O-CB 3.38Å; Y203-K207 PolarHBondContact O-N 3.08Å
208	L	98.2	Very high	98.5	Very high	26 Å²	26	28.2 Å²	28.2	14%	0.136	13%	0.134	C	C	.	.	H	α-helix	trans	-115.1	3.3	-174	-52.5	-180	0	0	0	113.9	V161 H165 Y203 A204 Y210	V161-L208 HydrophobicContact CG1-CD1 3.53Å; H165-L208 HydrophobicContact CB-CD1 3.9Å; Y203-L208 HydrophobicContact CD1-CD1 4.24Å; Y203-L208 HydrophobicContact CE1-CD1 3.68Å; Y203-L208 HydrophobicContact CE1-CG 4.2Å; A204-L208 CarbonylContact O-C 3.29Å; A204-L208 VanDerWaalsContact O-C 3.29Å; A204-L208 WeakPolarHBondContact O-CA 3.47Å; A204-L208 WeakPolarHBondContact O-CB 3.34Å; A204-L208 PolarHBondContact O-N 2.72Å; L208-Y210 VanDerWaalsContact C-N 3.35Å; L208-Y210 HydrophobicContact CB-CD2 3.81Å; L208-Y210 HydrophobicContact CB-CE2 3.83Å; L208-Y210 HydrophobicContact CD1-CE2 4.32Å; L208-Y210 PolarHBondContact O-N 2.82Å
209	N	97.1	Very high	98.5	Very high	122 Å²	122	28.2 Å²	28.2	65%	0.652	13%	0.134	S	C	*	.			trans	60.3	31.8	174.7	-58.9	-58.9	0	0	0	115.7	A204 I205 N211	A204-N209 PolarHBondContact O-N 2.76Å; A204-N209 VanDerWaalsContact O-N 3.08Å; I205-N209 PolarHBondContact O-N 3.03Å; N209-N211 PolarHBondContact O-ND2 3.16Å
210	Y	98.3	Very high	98.5	Very high	14 Å²	14	28.2 Å²	28.2	6%	0.055	13%	0.134	C	C	.	.			trans	-66.7	139.6	169.4	-77.2	-102.6	0	0	0	110.8	H165 A204 L208 E303 L304	H165-Y210 AromaticContact ND1-CE2 3.4Å; H165-Y210 WeakPolarHBondContact ND1-CE2 3.47Å; H165-Y210 AromaticContact ND1-CZ 3.8Å; H165-Y210 PolarHBondContact ND1-OH 2.88Å; A204-Y210 HydrophobicContact CB-CD2 3.79Å; A204-Y210 HydrophobicContact CB-CE2 4.41Å; A204-Y210 HydrophobicContact CB-CG 4.09Å; A204-Y210 WeakPolarHBondContact O-CD2 3.45Å; A204-Y210 PolarHBondContact O-N 3.28Å; L208-Y210 VanDerWaalsContact C-N 3.35Å; L208-Y210 HydrophobicContact CB-CD2 3.81Å; L208-Y210 HydrophobicContact CB-CE2 3.83Å; L208-Y210 HydrophobicContact CD1-CE2 4.32Å; L208-Y210 PolarHBondContact O-N 2.82Å; Y210-E303 HydrophobicContact CD1-CB 3.65Å; Y210-E303 HydrophobicContact CE1-CB 3.99Å; Y210-E303 WeakPolarHBondContact CE1-O 3.47Å; Y210-L304 HydrophobicContact CD1-CB 3.75Å; Y210-L304 HydrophobicContact CD1-CD2 4.49Å; Y210-L304 HydrophobicContact CE1-CB 3.66Å; Y210-L304 HydrophobicContact CE1-CD2 4.4Å
211	N	97.5	Very high	98.5	Very high	76 Å²	76	28.7 Å²	28.7	41%	0.406	14%	0.136	S	C	.	.			trans	-117.2	-17.8	-178	-70.2	-63.9	0	0	0	113.9	N209 K235 E303	N209-N211 PolarHBondContact O-ND2 3.16Å; N211-K235 VanDerWaalsContact O-CA 3.25Å; N211-K235 WeakPolarHBondContact O-CA 3.34Å; N211-K235 WeakPolarHBondContact O-CB 2.86Å; N211-K235 WeakPolarHBondContact OD1-CE 3.49Å; N211-K235 PolarHBondContact OD1-NZ 3.24Å; N211-E303 PolarHBondContact N-OE2 2.9Å
212	R	97.8	Very high	98.4	Very high	64 Å²	64	28.7 Å²	28.7	24%	0.242	14%	0.136	C	C	.	.			trans	-137.5	99.6	176.1	-66.6	-175.8	-51.3	-55.8	-20.6	110.3	K235 F300 D301 P302 E303 R832	R212-K235 CarbonylContact C-O 3.53Å; R212-K235 WeakPolarHBondContact CA-O 3.5Å; R212-F300 HydrophobicContact CB-CD1 4.47Å; R212-F300 HydrophobicContact CB-CE1 3.76Å; R212-F300 HydrophobicContact CB-CE2 4.13Å; R212-F300 HydrophobicContact CB-CZ 3.58Å; R212-F300 VanDerWaalsContact CD-O 3.22Å; R212-F300 WeakPolarHBondContact CD-O 3.47Å; R212-F300 HydrophobicContact CG-CE2 4Å; R212-F300 HydrophobicContact CG-CZ 3.94Å; R212-F300 PolarHBondContact NE-O 2.97Å; R212-D301 PolarHBondContact NE-O 3.04Å; R212-D301 PolarHBondContact NH2-O 3.21Å; R212-P302 CarbonylContact O-C 3.59Å; R212-P302 WeakPolarHBondContact O-CA 3.26Å; R212-E303 IonicContact CZ-OE1 2.64Å; R212-E303 VanDerWaalsContact CZ-OE1 3.3Å; R212-E303 PolarHBondContact N-OE2 3.47Å; R212-E303 IonicContact NH1-OE1 2.67Å; R212-E303 PolarHBondContact NH1-OE1 3.48Å; R212-E303 VanDerWaalsContact NH2-CD 3.32Å; R212-E303 VanDerWaalsContact NH2-CG 3.3Å; R212-E303 IonicContact NH2-OE1 3.02Å; R212-E303 PolarHBondContact NH2-OE1 2.91Å; R212-E303 PolarHBondContact O-N 2.82Å; R212-R832 VanDerWaalsContact NH2-CZ 3.27Å
213	I	98.8	Very high	98.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125.5	175.9	-56.6	-178.2	0	0	0	108.2	A201 A204 I205 I215 K235 V236 L237 F300 L304 L306	A201-I213 HydrophobicContact CB-CD1 4.22Å; A204-I213 HydrophobicContact CB-CD1 3.67Å; I205-I213 HydrophobicContact CD1-CD1 4.14Å; I205-I213 HydrophobicContact CG1-CD1 3.7Å; I213-I215 HydrophobicContact CG2-CG1 4.24Å; I213-K235 PolarHBondContact N-O 3.22Å; I213-V236 HydrophobicContact CB-CG2 4.39Å; I213-V236 CarbonylContact O-C 3.46Å; I213-V236 VanDerWaalsContact O-CA 3.29Å; I213-V236 WeakPolarHBondContact O-CA 3.44Å; I213-L237 PolarHBondContact O-N 3.05Å; I213-F300 WeakPolarHBondContact O-CE1 3.16Å; I213-L304 WeakPolarHBondContact CA-O 3.34Å; I213-L304 HydrophobicContact CD1-CD2 4.5Å; I213-L304 HydrophobicContact CG1-CB 4.44Å; I213-L306 HydrophobicContact CG2-CD1 3.94Å; I213-L306 HydrophobicContact CG2-CG 4Å
214	L	98.9	Very high	98.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.1	171	170.6	64.1	0	0	0	108	V216 L237 I239 A297 F300 P302 L304 V305 L306	L214-V216 HydrophobicContact CD1-CG2 3.99Å; L214-V216 HydrophobicContact CD2-CG2 3.99Å; L214-V216 HydrophobicContact CG-CG2 3.83Å; L214-L237 HydrophobicContact CD1-CB 4.21Å; L214-L237 HydrophobicContact CD1-CD2 3.97Å; L214-L237 HydrophobicContact CD1-CG 3.9Å; L214-I239 HydrophobicContact CD1-CD1 3.98Å; L214-I239 HydrophobicContact CD1-CG1 4.26Å; L214-A297 HydrophobicContact CD2-CB 3.61Å; L214-F300 HydrophobicContact CB-CD1 4.4Å; L214-F300 HydrophobicContact CB-CE1 4.4Å; L214-P302 HydrophobicContact CB-CB 3.7Å; L214-P302 HydrophobicContact CB-CG 3.86Å; L214-P302 HydrophobicContact CD2-CG 4.21Å; L214-L304 PolarHBondContact N-O 3.44Å; L214-V305 HydrophobicContact CB-CG2 4.35Å; L214-V305 HydrophobicContact CD2-CG1 4.15Å; L214-V305 HydrophobicContact CD2-CG2 4.24Å; L214-V305 HydrophobicContact CG-CG1 4.32Å; L214-V305 CarbonylContact O-C 3.53Å; L214-V305 WeakPolarHBondContact O-CA 3.48Å; L214-L306 PolarHBondContact O-N 2.94Å
215	I	98.9	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.6	168.9	-56.7	176.6	0	0	0	107.8	V197 A201 I213 T226 F230 V236 L237 F238 I239 L306	V197-I215 HydrophobicContact CG2-CD1 4.19Å; V197-I215 HydrophobicContact CG2-CG1 4.42Å; V197-I215 HydrophobicContact CG2-CG2 3.95Å; A201-I215 HydrophobicContact CB-CD1 4.14Å; I213-I215 HydrophobicContact CG2-CG1 4.24Å; I215-T226 HydrophobicContact CD1-CG2 4.01Å; I215-T226 HydrophobicContact CG2-CG2 4.24Å; I215-F230 HydrophobicContact CD1-CD2 3.89Å; I215-F230 HydrophobicContact CD1-CE2 3.65Å; I215-F230 HydrophobicContact CD1-CZ 4.5Å; I215-V236 HydrophobicContact CD1-CG1 3.56Å; I215-V236 HydrophobicContact CG1-CG1 3.86Å; I215-L237 PolarHBondContact N-O 3.03Å; I215-F238 HydrophobicContact CB-CD2 3.95Å; I215-F238 HydrophobicContact CG2-CD2 3.72Å; I215-F238 HydrophobicContact CG2-CE2 4.1Å; I215-I239 PolarHBondContact O-N 3.45Å; I215-L306 CarbonylContact C-O 3.58Å; I215-L306 VanDerWaalsContact CA-O 3.29Å; I215-L306 WeakPolarHBondContact CA-O 3.29Å; I215-L306 HydrophobicContact CG1-CB 4.23Å; I215-L306 HydrophobicContact CG1-CD1 4.37Å
216	V	98.9	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.2	172	-176.6	0	0	0	0	108.4	L214 W218 I239 F289 V293 L306 V307 S308 L336	L214-V216 HydrophobicContact CD1-CG2 3.99Å; L214-V216 HydrophobicContact CD2-CG2 3.99Å; L214-V216 HydrophobicContact CG-CG2 3.83Å; V216-W218 HydrophobicContact CG1-CE3 4.35Å; V216-I239 CarbonylContact C-O 3.58Å; V216-I239 WeakPolarHBondContact CA-O 3.31Å; V216-F289 HydrophobicContact CG1-CZ 4.38Å; V216-V293 HydrophobicContact CG1-CG1 4.48Å; V216-V293 HydrophobicContact CG2-CG1 4.28Å; V216-L306 PolarHBondContact N-O 3.19Å; V216-V307 CarbonylContact O-C 3.5Å; V216-V307 VanDerWaalsContact O-CA 3.25Å; V216-V307 WeakPolarHBondContact O-CA 3.36Å; V216-V307 WeakPolarHBondContact O-CG1 3.21Å; V216-S308 PolarHBondContact O-N 3.12Å; V216-L336 HydrophobicContact CB-CD1 4.26Å; V216-L336 HydrophobicContact CG1-CD1 4.42Å; V216-L336 HydrophobicContact CG2-CD1 4.23Å; V216-L336 HydrophobicContact CG2-CD2 3.97Å
217	D	98.9	Very high	98.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	110.9	174	-170.5	-16.4	0	0	0	108.7	H181 D219 G223 F238 I239 S240 I241	H181-D217 IonicContact CE1-OD2 2.71Å; H181-D217 IonicContact CG-OD2 3.59Å; H181-D217 IonicContact ND1-OD1 2.96Å; H181-D217 IonicContact ND1-OD2 3.57Å; H181-D217 PolarHBondContact ND1-OD2 3.26Å; D217-D219 WeakPolarHBondContact OD1-CB 3.38Å; D217-D219 PolarHBondContact OD1-N 3.21Å; D217-G223 WeakPolarHBondContact OD2-CA 2.98Å; D217-G223 PolarHBondContact OD2-N 3.49Å; D217-F238 HydrophobicContact CB-CE2 3.9Å; D217-F238 HydrophobicContact CB-CZ 4.22Å; D217-I239 PolarHBondContact N-O 3.01Å; D217-S240 CarbonylContact O-C 3.57Å; D217-S240 VanDerWaalsContact O-CA 3.29Å; D217-S240 WeakPolarHBondContact O-CA 3.2Å; D217-I241 PolarHBondContact O-N 2.84Å
218	W	98.6	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.			trans	-110.5	11.3	175.6	65.4	45.4	0	0	0	112.7	V216 F289 V307 S308 A309 G310 Y329 L332 T333 L336	V216-W218 HydrophobicContact CG1-CE3 4.35Å; W218-F289 HydrophobicContact CE3-CZ 4.03Å; W218-F289 HydrophobicContact CZ3-CZ 4.34Å; W218-V307 HydrophobicContact CD2-CG1 3.84Å; W218-V307 HydrophobicContact CE3-CG1 3.81Å; W218-V307 HydrophobicContact CH2-CG1 3.6Å; W218-V307 HydrophobicContact CZ2-CG1 3.61Å; W218-V307 HydrophobicContact CZ3-CG1 3.7Å; W218-S308 PolarHBondContact N-O 3.34Å; W218-A309 HydrophobicContact CZ2-CB 3.92Å; W218-A309 VanDerWaalsContact NE1-CA 3.27Å; W218-G310 VanDerWaalsContact CD1-O 3.25Å; W218-Y329 HydrophobicContact CZ2-CD1 4.32Å; W218-Y329 AromaticContact NE1-CD1 3.89Å; W218-Y329 AromaticContact NE1-CE1 3.97Å; W218-L332 HydrophobicContact CE3-CB 4.15Å; W218-L332 HydrophobicContact CE3-CD1 4.12Å; W218-L332 HydrophobicContact CH2-CB 4.27Å; W218-L332 HydrophobicContact CZ3-CB 3.68Å; W218-L332 HydrophobicContact CZ3-CD1 4.45Å; W218-T333 WeakPolarHBondContact CH2-OG1 3.29Å; W218-L336 HydrophobicContact CE3-CD1 4.49Å; W218-L336 HydrophobicContact CZ3-CD1 3.76Å
219	D	98.7	Very high	98.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-57.1	142.5	166.1	-167.8	-72.1	0	0	0	109.5	H181 D217 H221 G310 E349 G350	H181-D219 VanDerWaalsContact CE1-CB 3.45Å; H181-D219 WeakPolarHBondContact CE1-CB 3.29Å; H181-D219 IonicContact CE1-OD1 3.47Å; H181-D219 IonicContact CE1-OD2 3.59Å; H181-D219 IonicContact NE2-OD2 3.28Å; D217-D219 WeakPolarHBondContact OD1-CB 3.38Å; D217-D219 PolarHBondContact OD1-N 3.21Å; D219-H221 PolarHBondContact O-N 3.35Å; D219-H221 VanDerWaalsContact O-N 3.14Å; D219-H221 WeakPolarHBondContact OD1-CB 3.42Å; D219-H221 IonicContact OD1-CG 2.82Å; D219-H221 PolarHBondContact OD1-N 2.94Å; D219-H221 IonicContact OD1-ND1 3.18Å; D219-H221 PolarHBondContact OD1-ND1 3.28Å; D219-G310 VanDerWaalsContact OD2-CA 3.22Å; D219-G310 WeakPolarHBondContact OD2-CA 3.38Å; D219-E349 HydrophobicContact CB-CB 4.46Å; D219-E349 WeakPolarHBondContact OD2-CB 3.26Å; D219-G350 VanDerWaalsContact OD2-CA 3.25Å; D219-G350 WeakPolarHBondContact OD2-CA 3.23Å; D219-G350 PolarHBondContact OD2-N 2.85Å
220	V	98.3	Very high	98.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	-63.7	-21.3	-177.5	77.1	0	0	0	0	112	H242 R243 F249 D312 S313 L322	V220-H242 CarbonylContact O-C 3.55Å; V220-H242 WeakPolarHBondContact O-CA 3.41Å; V220-H242 WeakPolarHBondContact O-CB 3.29Å; V220-R243 HydrophobicContact CG2-CB 3.87Å; V220-R243 PolarHBondContact O-N 2.52Å; V220-F249 HydrophobicContact CG1-CE1 4.34Å; V220-F249 HydrophobicContact CG1-CZ 4.41Å; V220-F249 HydrophobicContact CG2-CE1 4.43Å; V220-D312 HydrophobicContact CG1-CB 3.9Å; V220-D312 WeakPolarHBondContact CG1-OD1 3.29Å; V220-D312 PolarHBondContact N-OD1 2.74Å; V220-S313 WeakPolarHBondContact CA-OG 3.5Å; V220-S313 VanDerWaalsContact CB-OG 3.29Å; V220-S313 WeakPolarHBondContact CB-OG 3.46Å; V220-L322 HydrophobicContact CG2-CD1 3.84Å; V220-L322 HydrophobicContact CG2-CG 4.14Å
221	H	98.4	Very high	98.3	Very high	10 Å²	10	10.3 Å²	10.3	5%	0.046	5%	0.05	C	C	.	.	S	Bend	trans	-96.6	144.5	176.5	-48.5	94.3	0	0	0	110.9	D219 G223 F249 W250 D312 V319	D219-H221 PolarHBondContact O-N 3.35Å; D219-H221 VanDerWaalsContact O-N 3.14Å; D219-H221 WeakPolarHBondContact OD1-CB 3.42Å; D219-H221 IonicContact OD1-CG 2.82Å; D219-H221 PolarHBondContact OD1-N 2.94Å; D219-H221 IonicContact OD1-ND1 3.18Å; D219-H221 PolarHBondContact OD1-ND1 3.28Å; H221-G223 PolarHBondContact O-N 3.4Å; H221-F249 AromaticContact CD2-CE1 3.42Å; H221-F249 VanDerWaalsContact CD2-CE1 3.42Å; H221-F249 WeakPolarHBondContact CD2-CE1 3.12Å; H221-F249 AromaticContact CD2-CZ 3.92Å; H221-F249 AromaticContact NE2-CE1 3.76Å; H221-F249 AromaticContact NE2-CZ 3.76Å; H221-W250 HydrophobicContact CB-CE3 4.15Å; H221-W250 HydrophobicContact CB-CZ3 3.99Å; H221-W250 AromaticContact CD2-CE3 3.56Å; H221-W250 AromaticContact CG-CE3 3.94Å; H221-D312 IonicContact CE1-OD2 3.58Å; H221-D312 PolarHBondContact CE1-OD2 2.87Å; H221-D312 VanDerWaalsContact CE1-OD2 3.31Å; H221-D312 IonicContact ND1-OD2 3.82Å; H221-D312 PolarHBondContact ND1-OD2 2.77Å; H221-V319 WeakPolarHBondContact NE2-CG1 3.46Å
222	H	98.2	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.			trans	-63.1	125.3	178.6	178.3	-131.8	0	0	0	111.4	H182 N224 Q227 H242 P251 S256 N272	H182-H222 PolarHBondContact CE1-O 3.14Å; H182-H222 PolarHBondContact ND1-O 2.94Å; H222-N224 WeakPolarHBondContact ND1-CA 3.48Å; H222-N224 WeakPolarHBondContact ND1-CB 3.3Å; H222-N224 PolarHBondContact O-N 2.94Å; H222-N224 PolarHBondContact O-OD1 3.34Å; H222-Q227 PolarHBondContact CE1-OE1 2.97Å; H222-Q227 PolarHBondContact NE2-OE1 3.43Å; H222-H242 HydrophobicContact CB-CB 4.23Å; H222-H242 AromaticContact CD2-CE1 3.22Å; H222-H242 PolarHBondContact CD2-CE1 3.47Å; H222-H242 AromaticContact CD2-ND1 3.41Å; H222-H242 PolarHBondContact CD2-ND1 3.44Å; H222-H242 AromaticContact CD2-NE2 3.91Å; H222-H242 AromaticContact CG-CE1 3.79Å; H222-H242 AromaticContact CG-ND1 3.94Å; H222-P251 HydrophobicContact CB-CG 4.48Å; H222-S256 WeakPolarHBondContact CB-OG 3.33Å; H222-S256 VanDerWaalsContact CG-OG 3.29Å; H222-S256 WeakPolarHBondContact ND1-CB 3.49Å; H222-S256 PolarHBondContact ND1-OG 2.99Å; H222-N272 PolarHBondContact NE2-OD1 2.82Å
223	G	97.4	Very high	98.2	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.055	C	C	.	.			trans	-68.4	60.3	170.2	0	0	0	0	0	113.3	D217 H221 T225 T226 Q227 F238	D217-G223 WeakPolarHBondContact OD2-CA 2.98Å; D217-G223 PolarHBondContact OD2-N 3.49Å; H221-G223 PolarHBondContact O-N 3.4Å; G223-T225 VanDerWaalsContact C-N 3.31Å; G223-T225 PolarHBondContact O-N 2.84Å; G223-T226 WeakPolarHBondContact O-CB 3.5Å; G223-T226 PolarHBondContact O-N 3.48Å; G223-Q227 PolarHBondContact O-N 2.96Å; G223-F238 WeakPolarHBondContact O-CZ 3.41Å
224	N	97.2	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.9	-37.2	-169.1	64	-64.6	0	0	0	113.1	H182 H222 Q227 Y228 L253	H182-N224 PolarHBondContact ND1-OD1 2.92Å; H222-N224 WeakPolarHBondContact ND1-CA 3.48Å; H222-N224 WeakPolarHBondContact ND1-CB 3.3Å; H222-N224 PolarHBondContact O-N 2.94Å; H222-N224 PolarHBondContact O-OD1 3.34Å; N224-Q227 WeakPolarHBondContact O-CB 3.22Å; N224-Q227 PolarHBondContact O-N 2.91Å; N224-Y228 VanDerWaalsContact O-CD1 3.24Å; N224-Y228 WeakPolarHBondContact O-CD1 3.34Å; N224-Y228 WeakPolarHBondContact O-CD2 3.38Å; N224-Y228 WeakPolarHBondContact O-CE1 3.44Å; N224-Y228 PolarHBondContact O-N 3.5Å; N224-L253 HydrophobicContact CB-CD1 3.5Å
225	T	98	Very high	98.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-83.4	-27.8	-178.4	75.3	0	0	0	0	112.7	Y110 H181 H182 A183 L184 N195 G223 Q227 Y228 A229	Y110-T225 PolarHBondContact OH-O 3.39Å; Y110-T225 VanDerWaalsContact OH-O 3.14Å; H181-T225 PolarHBondContact O-OG1 3.31Å; H182-T225 VanDerWaalsContact C-CG2 3.47Å; H182-T225 WeakPolarHBondContact O-CG2 3.45Å; A183-T225 PolarHBondContact N-OG1 2.89Å; A183-T225 VanDerWaalsContact O-CB 3.24Å; A183-T225 WeakPolarHBondContact O-CB 3.29Å; A183-T225 PolarHBondContact O-OG1 3.42Å; L184-T225 HydrophobicContact CB-CG2 4.44Å; L184-T225 HydrophobicContact CD1-CG2 4.13Å; L184-T225 HydrophobicContact CG-CG2 3.76Å; N195-T225 PolarHBondContact ND2-OG1 2.95Å; G223-T225 VanDerWaalsContact C-N 3.31Å; G223-T225 PolarHBondContact O-N 2.84Å; T225-Q227 VanDerWaalsContact C-N 3.34Å; T225-Y228 HydrophobicContact CG2-CD2 4.24Å; T225-Y228 HydrophobicContact CG2-CE2 4.37Å; T225-Y228 PolarHBondContact O-N 2.84Å; T225-A229 PolarHBondContact O-N 2.84Å
226	T	98.4	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.3	-41.8	165.7	-54.6	0	0	0	0	110.7	N195 V197 I215 G223 Y228 A229 F230 F238	N195-T226 PolarHBondContact ND2-N 3.37Å; N195-T226 PolarHBondContact ND2-OG1 3.11Å; V197-T226 HydrophobicContact CG1-CG2 3.89Å; V197-T226 WeakPolarHBondContact CG1-OG1 3.23Å; I215-T226 HydrophobicContact CD1-CG2 4.01Å; I215-T226 HydrophobicContact CG2-CG2 4.24Å; G223-T226 WeakPolarHBondContact O-CB 3.5Å; G223-T226 PolarHBondContact O-N 3.48Å; T226-Y228 PolarHBondContact O-N 3.35Å; T226-A229 WeakPolarHBondContact O-CB 3.31Å; T226-A229 PolarHBondContact O-N 2.94Å; T226-F230 HydrophobicContact CG2-CD2 4.21Å; T226-F230 HydrophobicContact CG2-CE2 4.24Å; T226-F230 WeakPolarHBondContact O-CD2 3.39Å; T226-F230 PolarHBondContact O-N 3.4Å; T226-F238 HydrophobicContact CG2-CD2 3.58Å; T226-F238 HydrophobicContact CG2-CE2 3.47Å; T226-F238 VanDerWaalsContact CG2-CE2 3.47Å; T226-F238 HydrophobicContact CG2-CG 4.49Å; T226-F238 HydrophobicContact CG2-CZ 4.3Å
227	Q	98.4	Very high	98.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-56.3	-47.5	169.5	159.9	167.7	-49	0	0	111.4	H222 G223 N224 T225 A229 F230 Y231 F238 E255 N270 N272	H222-Q227 PolarHBondContact CE1-OE1 2.97Å; H222-Q227 PolarHBondContact NE2-OE1 3.43Å; G223-Q227 PolarHBondContact O-N 2.96Å; N224-Q227 WeakPolarHBondContact O-CB 3.22Å; N224-Q227 PolarHBondContact O-N 2.91Å; T225-Q227 VanDerWaalsContact C-N 3.34Å; Q227-A229 VanDerWaalsContact C-N 3.28Å; Q227-A229 PolarHBondContact O-N 3.04Å; Q227-F230 PolarHBondContact O-N 3.26Å; Q227-Y231 HydrophobicContact CG-CD2 3.81Å; Q227-Y231 HydrophobicContact CG-CE2 4.22Å; Q227-Y231 WeakPolarHBondContact O-CA 3.45Å; Q227-Y231 WeakPolarHBondContact O-CB 3.24Å; Q227-Y231 PolarHBondContact O-N 3.4Å; Q227-F238 HydrophobicContact CB-CD1 4.03Å; Q227-F238 HydrophobicContact CB-CE1 3.7Å; Q227-F238 HydrophobicContact CB-CZ 4.49Å; Q227-E255 PolarHBondContact NE2-O 3.32Å; Q227-N270 VanDerWaalsContact CG-OD1 3.25Å; Q227-N270 WeakPolarHBondContact CG-OD1 3.34Å; Q227-N270 PolarHBondContact OE1-ND2 3.11Å; Q227-N270 PolarHBondContact OE1-OD1 3.37Å; Q227-N272 PolarHBondContact OE1-ND2 2.9Å; Q227-N272 PolarHBondContact OE1-OD1 3.37Å
228	Y	97.8	Very high	98.2	Very high	24 Å²	24	15.3 Å²	15.3	9%	0.094	8%	0.081	C	C	.	.	H	α-helix	trans	-61.4	-37.2	178.7	-57.9	-24.4	0	0	0	113	N224 T225 T226 F230 E255 L424 Q425	N224-Y228 VanDerWaalsContact O-CD1 3.24Å; N224-Y228 WeakPolarHBondContact O-CD1 3.34Å; N224-Y228 WeakPolarHBondContact O-CD2 3.38Å; N224-Y228 WeakPolarHBondContact O-CE1 3.44Å; N224-Y228 PolarHBondContact O-N 3.5Å; T225-Y228 HydrophobicContact CG2-CD2 4.24Å; T225-Y228 HydrophobicContact CG2-CE2 4.37Å; T225-Y228 PolarHBondContact O-N 2.84Å; T226-Y228 PolarHBondContact O-N 3.35Å; Y228-F230 PolarHBondContact O-N 2.89Å; Y228-E255 HydrophobicContact CE1-CG 4.12Å; Y228-E255 PolarHBondContact OH-OE1 3.25Å; Y228-L424 VanDerWaalsContact CE1-O 3.27Å; Y228-L424 WeakPolarHBondContact CE1-O 3.42Å; Y228-Q425 HydrophobicContact CD1-CG 3.73Å; Y228-Q425 HydrophobicContact CD2-CG 4Å; Y228-Q425 HydrophobicContact CE1-CB 4.31Å; Y228-Q425 HydrophobicContact CE1-CG 3.77Å; Y228-Q425 HydrophobicContact CE2-CB 4.29Å; Y228-Q425 HydrophobicContact CE2-CG 4.05Å; Y228-Q425 HydrophobicContact CG-CG 3.86Å
229	A	98.1	Very high	98.2	Very high	23 Å²	23	15.3 Å²	15.3	19%	0.19	8%	0.081	C	C	.	.	H	α-helix	trans	-61.4	-31	-178.6	0	0	0	0	0	113	Y110 A198 T225 T226 Q227	Y110-A229 HydrophobicContact CD2-CB 3.97Å; Y110-A229 HydrophobicContact CE2-CB 3.43Å; Y110-A229 VanDerWaalsContact CE2-CB 3.43Å; A198-A229 HydrophobicContact CB-CB 3.93Å; T225-A229 PolarHBondContact O-N 2.84Å; T226-A229 WeakPolarHBondContact O-CB 3.31Å; T226-A229 PolarHBondContact O-N 2.94Å; Q227-A229 VanDerWaalsContact C-N 3.28Å; Q227-A229 PolarHBondContact O-N 3.04Å
230	F	98.4	Very high	98.2	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.026	8%	0.081	C	C	.	.	H	α-helix	trans	-125.9	10	-169.4	-57.4	-62.5	0	0	0	114.6	A198 A201 N202 I215 T226 Q227 Y228 D232 N233 V236	A198-F230 HydrophobicContact CB-CE2 4.08Å; A198-F230 HydrophobicContact CB-CZ 4.23Å; A201-F230 HydrophobicContact CB-CE1 4.19Å; A201-F230 HydrophobicContact CB-CE2 4.08Å; A201-F230 HydrophobicContact CB-CZ 3.51Å; N202-F230 VanDerWaalsContact OD1-CE1 3.28Å; N202-F230 WeakPolarHBondContact OD1-CE1 3.48Å; I215-F230 HydrophobicContact CD1-CD2 3.89Å; I215-F230 HydrophobicContact CD1-CE2 3.65Å; I215-F230 HydrophobicContact CD1-CZ 4.5Å; T226-F230 HydrophobicContact CG2-CD2 4.21Å; T226-F230 HydrophobicContact CG2-CE2 4.24Å; T226-F230 WeakPolarHBondContact O-CD2 3.39Å; T226-F230 PolarHBondContact O-N 3.4Å; Q227-F230 PolarHBondContact O-N 3.26Å; Y228-F230 PolarHBondContact O-N 2.89Å; F230-D232 PolarHBondContact O-N 2.79Å; F230-N233 HydrophobicContact CB-CB 4.44Å; F230-N233 HydrophobicContact CD1-CB 4.41Å; F230-N233 PolarHBondContact O-N 3.45Å; F230-V236 HydrophobicContact CB-CB 3.95Å; F230-V236 HydrophobicContact CB-CG1 4.06Å; F230-V236 HydrophobicContact CB-CG2 4.47Å; F230-V236 HydrophobicContact CD1-CB 3.95Å; F230-V236 HydrophobicContact CD1-CG1 4.28Å; F230-V236 HydrophobicContact CD1-CG2 3.5Å; F230-V236 HydrophobicContact CD2-CB 4.45Å; F230-V236 HydrophobicContact CD2-CG1 3.92Å; F230-V236 HydrophobicContact CE1-CG2 3.82Å; F230-V236 HydrophobicContact CG-CB 3.85Å; F230-V236 HydrophobicContact CG-CG1 3.8Å; F230-V236 HydrophobicContact CG-CG2 3.91Å; F230-V236 HydrophobicContact CZ-CG2 4.49Å
231	Y	97.7	Very high	98.2	Very high	13 Å²	13	15.3 Å²	15.3	5%	0.051	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.4	-169.7	-159.5	-109.6	0	0	0	115.1	Q227 F260 G262 T263 N270 L424	Q227-Y231 HydrophobicContact CG-CD2 3.81Å; Q227-Y231 HydrophobicContact CG-CE2 4.22Å; Q227-Y231 WeakPolarHBondContact O-CA 3.45Å; Q227-Y231 WeakPolarHBondContact O-CB 3.24Å; Q227-Y231 PolarHBondContact O-N 3.4Å; Y231-F260 HydrophobicContact CE2-CB 4.38Å; Y231-F260 WeakPolarHBondContact OH-CA 3.47Å; Y231-F260 WeakPolarHBondContact OH-CD1 3.32Å; Y231-G262 VanDerWaalsContact CE1-CA 3.5Å; Y231-G262 VanDerWaalsContact CE2-N 3.35Å; Y231-G262 VanDerWaalsContact CZ-CA 3.4Å; Y231-G262 VanDerWaalsContact CZ-N 3.27Å; Y231-G262 CarbonylContact O-C 3.42Å; Y231-G262 WeakPolarHBondContact O-CA 3.3Å; Y231-G262 PolarHBondContact OH-N 2.95Å; Y231-T263 HydrophobicContact CD1-CG2 4.03Å; Y231-T263 HydrophobicContact CE1-CG2 3.56Å; Y231-T263 PolarHBondContact O-N 2.97Å; Y231-N270 HydrophobicContact CD2-CB 4.18Å; Y231-N270 HydrophobicContact CE2-CB 4.23Å; Y231-L424 HydrophobicContact CD1-CD1 3.5Å; Y231-L424 VanDerWaalsContact CD1-CD1 3.5Å; Y231-L424 HydrophobicContact CD1-CD2 3.42Å; Y231-L424 VanDerWaalsContact CD1-CD2 3.42Å; Y231-L424 HydrophobicContact CD1-CG 4.08Å; Y231-L424 HydrophobicContact CD2-CD1 4.08Å; Y231-L424 HydrophobicContact CE1-CD1 3.15Å; Y231-L424 HydrophobicContact CE1-CD2 3.78Å; Y231-L424 HydrophobicContact CE1-CG 4.1Å; Y231-L424 HydrophobicContact CE2-CD1 3.78Å; Y231-L424 HydrophobicContact CG-CD1 3.94Å; Y231-L424 HydrophobicContact CG-CD2 4.12Å
232	D	96.8	Very high	98.2	Very high	103 Å²	103	14.9 Å²	14.9	55%	0.551	8%	0.079	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.5	4	177.8	69.1	-16.9	0	0	0	113.6	F230 P234 T263 G266	F230-D232 PolarHBondContact O-N 2.79Å; D232-P234 WeakPolarHBondContact O-CD 3.45Å; D232-T263 WeakPolarHBondContact CA-O 3.34Å; D232-G266 PolarHBondContact O-N 2.93Å
233	N	98.1	Very high	98.2	Very high	37 Å²	37	15.5 Å²	15.5	20%	0.198	8%	0.081	C	C	.	.			trans	-100.5	106.3	-172.3	-172	-9.5	0	0	0	112.4	F230 K235 V236	F230-N233 HydrophobicContact CB-CB 4.44Å; F230-N233 HydrophobicContact CD1-CB 4.41Å; F230-N233 PolarHBondContact O-N 3.45Å; N233-K235 PolarHBondContact O-N 3.31Å; N233-K235 VanDerWaalsContact OD1-CB 3.27Å; N233-K235 WeakPolarHBondContact OD1-CB 3.46Å; N233-K235 PolarHBondContact OD1-N 3.34Å; N233-V236 PolarHBondContact O-N 3.24Å
234	P	97.8	Very high	98.2	Very high	35 Å²	35	16.1 Å²	16.1	23%	0.227	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-7.2	-179.4	33.1	-38.8	0	0	0	114.1	D232 V236 R265 F269	D232-P234 WeakPolarHBondContact O-CD 3.45Å; P234-V236 PolarHBondContact O-N 2.59Å; P234-R265 HydrophobicContact CB-CB 4.47Å; P234-R265 HydrophobicContact CG-CB 3.9Å; P234-F269 HydrophobicContact CB-CD2 4.12Å; P234-F269 HydrophobicContact CB-CE1 4.44Å; P234-F269 HydrophobicContact CB-CE2 3.8Å; P234-F269 HydrophobicContact CB-CZ 3.99Å; P234-F269 WeakPolarHBondContact O-CE1 3.11Å
235	K	98.4	Very high	98.2	Very high	69 Å²	69	17.6 Å²	17.6	30%	0.3	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-15.7	175.8	-63.3	-173	173.3	-165.5	0	112.3	I205 N211 R212 I213 N233	I205-K235 HydrophobicContact CD1-CB 4.2Å; I205-K235 HydrophobicContact CG1-CD 4.48Å; I205-K235 HydrophobicContact CG2-CD 3.82Å; N211-K235 VanDerWaalsContact O-CA 3.25Å; N211-K235 WeakPolarHBondContact O-CA 3.34Å; N211-K235 WeakPolarHBondContact O-CB 2.86Å; N211-K235 WeakPolarHBondContact OD1-CE 3.49Å; N211-K235 PolarHBondContact OD1-NZ 3.24Å; R212-K235 CarbonylContact C-O 3.53Å; R212-K235 WeakPolarHBondContact CA-O 3.5Å; I213-K235 PolarHBondContact N-O 3.22Å; N233-K235 PolarHBondContact O-N 3.31Å; N233-K235 VanDerWaalsContact OD1-CB 3.27Å; N233-K235 WeakPolarHBondContact OD1-CB 3.46Å; N233-K235 PolarHBondContact OD1-N 3.34Å
236	V	98.9	Very high	98	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.7	-178.7	-177.5	0	0	0	0	109.1	I205 I213 I215 F230 N233 P234 F269	I205-V236 HydrophobicContact CD1-CG2 3.66Å; I213-V236 HydrophobicContact CB-CG2 4.39Å; I213-V236 CarbonylContact O-C 3.46Å; I213-V236 VanDerWaalsContact O-CA 3.29Å; I213-V236 WeakPolarHBondContact O-CA 3.44Å; I215-V236 HydrophobicContact CD1-CG1 3.56Å; I215-V236 HydrophobicContact CG1-CG1 3.86Å; F230-V236 HydrophobicContact CB-CB 3.95Å; F230-V236 HydrophobicContact CB-CG1 4.06Å; F230-V236 HydrophobicContact CB-CG2 4.47Å; F230-V236 HydrophobicContact CD1-CB 3.95Å; F230-V236 HydrophobicContact CD1-CG1 4.28Å; F230-V236 HydrophobicContact CD1-CG2 3.5Å; F230-V236 HydrophobicContact CD2-CB 4.45Å; F230-V236 HydrophobicContact CD2-CG1 3.92Å; F230-V236 HydrophobicContact CE1-CG2 3.82Å; F230-V236 HydrophobicContact CG-CB 3.85Å; F230-V236 HydrophobicContact CG-CG1 3.8Å; F230-V236 HydrophobicContact CG-CG2 3.91Å; F230-V236 HydrophobicContact CZ-CG2 4.49Å; N233-V236 PolarHBondContact O-N 3.24Å; P234-V236 PolarHBondContact O-N 2.59Å; V236-F269 WeakPolarHBondContact O-CB 3.44Å
237	L	98.9	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	107.7	164.2	173.8	56.4	0	0	0	107.3	I213 L214 I215 I239 F269 V271 L296 F300 W401	I213-L237 PolarHBondContact O-N 3.05Å; L214-L237 HydrophobicContact CD1-CB 4.21Å; L214-L237 HydrophobicContact CD1-CD2 3.97Å; L214-L237 HydrophobicContact CD1-CG 3.9Å; I215-L237 PolarHBondContact N-O 3.03Å; L237-I239 HydrophobicContact CD1-CD1 4.48Å; L237-I239 HydrophobicContact CD1-CG1 4.12Å; L237-I239 HydrophobicContact CD2-CD1 4.19Å; L237-I239 HydrophobicContact CG-CD1 4.17Å; L237-I239 HydrophobicContact CG-CG1 4.01Å; L237-F269 WeakPolarHBondContact CA-O 3.42Å; L237-F269 HydrophobicContact CB-CD1 4.44Å; L237-F269 WeakPolarHBondContact CD1-O 3.18Å; L237-V271 HydrophobicContact CD1-CG2 4.09Å; L237-L296 HydrophobicContact CD2-CB 4.14Å; L237-F300 HydrophobicContact CB-CD1 3.78Å; L237-F300 HydrophobicContact CB-CD2 4.09Å; L237-F300 HydrophobicContact CB-CE1 3.71Å; L237-F300 HydrophobicContact CB-CE2 4.03Å; L237-F300 HydrophobicContact CB-CG 3.96Å; L237-F300 HydrophobicContact CB-CZ 3.82Å; L237-F300 HydrophobicContact CD2-CB 3.64Å; L237-F300 HydrophobicContact CD2-CD1 3.98Å; L237-F300 HydrophobicContact CD2-CD2 4.35Å; L237-F300 HydrophobicContact CD2-CG 3.74Å; L237-W401 HydrophobicContact CD1-CH2 4.35Å; L237-W401 HydrophobicContact CD1-CZ2 3.86Å; L237-W401 HydrophobicContact CD2-CH2 4.03Å; L237-W401 HydrophobicContact CD2-CZ2 4.28Å
238	F	98.9	Very high	97.5	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	123	175.7	175	-106.9	0	0	0	109.8	I215 D217 G223 T226 Q227 F269 N270 V271	I215-F238 HydrophobicContact CB-CD2 3.95Å; I215-F238 HydrophobicContact CG2-CD2 3.72Å; I215-F238 HydrophobicContact CG2-CE2 4.1Å; D217-F238 HydrophobicContact CB-CE2 3.9Å; D217-F238 HydrophobicContact CB-CZ 4.22Å; G223-F238 WeakPolarHBondContact O-CZ 3.41Å; T226-F238 HydrophobicContact CG2-CD2 3.58Å; T226-F238 HydrophobicContact CG2-CE2 3.47Å; T226-F238 VanDerWaalsContact CG2-CE2 3.47Å; T226-F238 HydrophobicContact CG2-CG 4.49Å; T226-F238 HydrophobicContact CG2-CZ 4.3Å; Q227-F238 HydrophobicContact CB-CD1 4.03Å; Q227-F238 HydrophobicContact CB-CE1 3.7Å; Q227-F238 HydrophobicContact CB-CZ 4.49Å; F238-F269 PolarHBondContact N-O 3.42Å; F238-N270 VanDerWaalsContact CD1-OD1 3.29Å; F238-N270 WeakPolarHBondContact CD1-OD1 3.48Å; F238-V271 PolarHBondContact O-N 2.83Å
239	I	98.9	Very high	97.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.4	176.9	-51.7	-177.4	0	0	0	108.2	L214 I215 V216 D217 L237 V271 I273 V293 L296	L214-I239 HydrophobicContact CD1-CD1 3.98Å; L214-I239 HydrophobicContact CD1-CG1 4.26Å; I215-I239 PolarHBondContact O-N 3.45Å; V216-I239 CarbonylContact C-O 3.58Å; V216-I239 WeakPolarHBondContact CA-O 3.31Å; D217-I239 PolarHBondContact N-O 3.01Å; L237-I239 HydrophobicContact CD1-CD1 4.48Å; L237-I239 HydrophobicContact CD1-CG1 4.12Å; L237-I239 HydrophobicContact CD2-CD1 4.19Å; L237-I239 HydrophobicContact CG-CD1 4.17Å; L237-I239 HydrophobicContact CG-CG1 4.01Å; I239-V271 WeakPolarHBondContact CA-O 3.34Å; I239-V271 HydrophobicContact CB-CB 4.3Å; I239-V271 HydrophobicContact CG1-CB 4.03Å; I239-V271 HydrophobicContact CG1-CG2 4.26Å; I239-V271 HydrophobicContact CG2-CB 4.17Å; I239-V271 HydrophobicContact CG2-CG1 4Å; I239-I273 HydrophobicContact CG2-CD1 3.93Å; I239-I273 HydrophobicContact CG2-CG1 4.46Å; I239-V293 HydrophobicContact CD1-CG1 4.39Å; I239-V293 HydrophobicContact CG2-CG2 4.32Å; I239-L296 HydrophobicContact CD1-CB 4.15Å; I239-L296 HydrophobicContact CD1-CD1 4.28Å
240	S	98.9	Very high	97.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.7	175.4	178.4	0	0	0	0	111.3	D217 H242 V271 I273	D217-S240 CarbonylContact O-C 3.57Å; D217-S240 VanDerWaalsContact O-CA 3.29Å; D217-S240 WeakPolarHBondContact O-CA 3.2Å; S240-H242 PolarHBondContact O-ND1 2.93Å; S240-H242 PolarHBondContact OG-ND1 2.93Å; S240-V271 PolarHBondContact N-O 3.08Å; S240-I273 PolarHBondContact O-N 3.3Å
241	I	98.9	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.8	170.7	-54	165.1	0	0	0	107.4	D217 I273 L275 Y285 I288 F289 V293	D217-I241 PolarHBondContact O-N 2.84Å; I241-I273 HydrophobicContact CG1-CB 4.18Å; I241-I273 HydrophobicContact CG1-CD1 3.97Å; I241-I273 HydrophobicContact CG1-CG1 4.45Å; I241-I273 HydrophobicContact CG2-CG2 4.47Å; I241-L275 HydrophobicContact CG2-CD1 3.87Å; I241-L275 HydrophobicContact CG2-CD2 4.5Å; I241-L275 HydrophobicContact CG2-CG 4.3Å; I241-Y285 HydrophobicContact CB-CE1 4.34Å; I241-Y285 HydrophobicContact CD1-CD1 4.41Å; I241-Y285 HydrophobicContact CD1-CE1 4.35Å; I241-Y285 HydrophobicContact CG2-CD1 4.5Å; I241-Y285 HydrophobicContact CG2-CE1 3.8Å; I241-Y285 HydrophobicContact CG2-CE2 4.23Å; I241-I288 HydrophobicContact CD1-CG2 3.66Å; I241-I288 HydrophobicContact CG1-CG2 3.94Å; I241-I288 HydrophobicContact CG2-CD1 4.24Å; I241-F289 HydrophobicContact CD1-CD2 4.03Å; I241-F289 HydrophobicContact CD1-CE2 3.62Å; I241-V293 HydrophobicContact CD1-CG2 4.06Å
242	H	98.7	Very high	96.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	154	-173.3	52.2	-94	0	0	0	111.2	V220 H222 S240 S256 I273 L275	V220-H242 CarbonylContact O-C 3.55Å; V220-H242 WeakPolarHBondContact O-CA 3.41Å; V220-H242 WeakPolarHBondContact O-CB 3.29Å; H222-H242 HydrophobicContact CB-CB 4.23Å; H222-H242 AromaticContact CD2-CE1 3.22Å; H222-H242 PolarHBondContact CD2-CE1 3.47Å; H222-H242 AromaticContact CD2-ND1 3.41Å; H222-H242 PolarHBondContact CD2-ND1 3.44Å; H222-H242 AromaticContact CD2-NE2 3.91Å; H222-H242 AromaticContact CG-CE1 3.79Å; H222-H242 AromaticContact CG-ND1 3.94Å; S240-H242 PolarHBondContact O-ND1 2.93Å; S240-H242 PolarHBondContact OG-ND1 2.93Å; H242-S256 PolarHBondContact CE1-O 2.89Å; H242-S256 PolarHBondContact NE2-O 3.15Å; H242-I273 PolarHBondContact N-O 3.42Å; H242-L275 WeakPolarHBondContact O-CB 3.24Å; H242-L275 WeakPolarHBondContact O-CG 3.37Å; H242-L275 PolarHBondContact O-N 2.9Å
243	R	97.9	Very high	96.8	Very high	13 Å²	13	24.7 Å²	24.7	5%	0.049	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	136.2	169.2	-173.5	173	166.4	-147.7	-18.2	109.4	V220 D245 F249 G320	V220-R243 HydrophobicContact CG2-CB 3.87Å; V220-R243 PolarHBondContact O-N 2.52Å; R243-D245 VanDerWaalsContact CG-OD1 3.24Å; R243-D245 WeakPolarHBondContact CG-OD1 3.45Å; R243-D245 IonicContact CZ-OD1 3.03Å; R243-D245 IonicContact CZ-OD2 2.58Å; R243-D245 VanDerWaalsContact NE-CG 3.31Å; R243-D245 IonicContact NE-OD1 3.48Å; R243-D245 PolarHBondContact NE-OD1 3.33Å; R243-D245 IonicContact NE-OD2 2.98Å; R243-D245 PolarHBondContact NE-OD2 3.45Å; R243-D245 IonicContact NH2-OD1 3.69Å; R243-D245 IonicContact NH2-OD2 2.93Å; R243-D245 PolarHBondContact NH2-OD2 3.27Å; R243-F249 HydrophobicContact CB-CD1 3.65Å; R243-F249 HydrophobicContact CB-CE1 3.79Å; R243-F249 HydrophobicContact CB-CG 4.06Å; R243-F249 HydrophobicContact CB-CZ 4.36Å; R243-F249 HydrophobicContact CG-CB 4.16Å; R243-F249 HydrophobicContact CG-CD1 3.9Å; R243-F249 HydrophobicContact CG-CD2 4.03Å; R243-F249 HydrophobicContact CG-CE1 4.26Å; R243-F249 HydrophobicContact CG-CE2 4.43Å; R243-F249 HydrophobicContact CG-CG 3.75Å; R243-F249 VanDerWaalsContact CZ-CD2 3.45Å; R243-F249 VanDerWaalsContact CZ-CE2 3.5Å; R243-F249 VanDerWaalsContact NH1-CE2 3.26Å; R243-F249 VanDerWaalsContact O-CD1 3.22Å; R243-F249 WeakPolarHBondContact O-CD1 3.46Å; R243-G320 PolarHBondContact NH1-O 2.92Å
244	Y	97.4	Very high	96.6	Very high	13 Å²	13	23.7 Å²	23.7	5%	0.051	12%	0.118	C	C	.	.			trans	-125.9	-34.3	-174.6	-175.8	-122.8	0	0	0	111.9	N246 G247 E248 F249 L253 N257 A274 L275 N276	Y244-N246 PolarHBondContact O-N 3.01Å; Y244-N246 VanDerWaalsContact O-N 3.13Å; Y244-G247 VanDerWaalsContact CE1-N 3.33Å; Y244-G247 VanDerWaalsContact CZ-N 3.35Å; Y244-G247 CarbonylContact O-C 3.51Å; Y244-G247 WeakPolarHBondContact O-CA 3.46Å; Y244-G247 PolarHBondContact O-N 3.31Å; Y244-E248 PolarHBondContact O-N 3.29Å; Y244-F249 PolarHBondContact O-N 2.78Å; Y244-L253 WeakPolarHBondContact CE2-O 3.48Å; Y244-N257 HydrophobicContact CE1-CB 3.95Å; Y244-N257 HydrophobicContact CE2-CB 4.47Å; Y244-A274 HydrophobicContact CD1-CB 3.89Å; Y244-A274 HydrophobicContact CG-CB 3.83Å; Y244-L275 PolarHBondContact N-O 2.88Å; Y244-N276 WeakPolarHBondContact CD1-OD1 3.46Å
245	D	96.1	Very high	96.4	Very high	30 Å²	30	22.1 Å²	22.1	16%	0.16	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	45.1	42.7	-177.7	-63.3	-5.3	0	0	0	112.9	R243 G247 E248 F249 L275 N276	R243-D245 VanDerWaalsContact CG-OD1 3.24Å; R243-D245 WeakPolarHBondContact CG-OD1 3.45Å; R243-D245 IonicContact CZ-OD1 3.03Å; R243-D245 IonicContact CZ-OD2 2.58Å; R243-D245 VanDerWaalsContact NE-CG 3.31Å; R243-D245 IonicContact NE-OD1 3.48Å; R243-D245 PolarHBondContact NE-OD1 3.33Å; R243-D245 IonicContact NE-OD2 2.98Å; R243-D245 PolarHBondContact NE-OD2 3.45Å; R243-D245 IonicContact NH2-OD1 3.69Å; R243-D245 IonicContact NH2-OD2 2.93Å; R243-D245 PolarHBondContact NH2-OD2 3.27Å; D245-G247 PolarHBondContact O-N 2.76Å; D245-E248 HydrophobicContact CB-CB 4.2Å; D245-E248 WeakPolarHBondContact O-CB 3.27Å; D245-E248 PolarHBondContact O-N 2.77Å; D245-F249 HydrophobicContact CB-CB 3.99Å; D245-L275 PolarHBondContact N-O 3.03Å; D245-N276 PolarHBondContact N-OD1 3.18Å
246	N	94.5	Very high	96.4	Very high	84 Å²	84	18.9 Å²	18.9	45%	0.449	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	57.3	33.2	-176	-53.8	-76.5	0	0	0	114.1	Y244 N276	Y244-N246 PolarHBondContact O-N 3.01Å; Y244-N246 VanDerWaalsContact O-N 3.13Å; N246-N276 PolarHBondContact N-OD1 2.85Å
247	G	93.6	Very high	96.2	Very high	15 Å²	15	19.3 Å²	19.3	16%	0.155	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	95.7	-2.6	-178.7	0	0	0	0	0	114.7	Y244 D245 N252	Y244-G247 VanDerWaalsContact CE1-N 3.33Å; Y244-G247 VanDerWaalsContact CZ-N 3.35Å; Y244-G247 CarbonylContact O-C 3.51Å; Y244-G247 WeakPolarHBondContact O-CA 3.46Å; Y244-G247 PolarHBondContact O-N 3.31Å; D245-G247 PolarHBondContact O-N 2.76Å; G247-N252 WeakPolarHBondContact O-CA 3.4Å; G247-N252 PolarHBondContact O-ND2 3.46Å
248	E	93.9	Very high	96	Very high	95 Å²	95	20.4 Å²	20.4	44%	0.444	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-12.4	-177.6	-63.9	-64	148.4	0	0	113.9	Y244 D245 N252	Y244-E248 PolarHBondContact O-N 3.29Å; D245-E248 HydrophobicContact CB-CB 4.2Å; D245-E248 WeakPolarHBondContact O-CB 3.27Å; D245-E248 PolarHBondContact O-N 2.77Å; E248-N252 WeakPolarHBondContact CA-ND2 3.38Å; E248-N252 PolarHBondContact O-ND2 3.26Å
249	F	94.9	Very high	95.8	Very high	21 Å²	21	20.7 Å²	20.7	9%	0.092	10%	0.102	C	C	.	.	S	Bend	trans	-88.1	142.2	174.3	-163.6	-106.5	0	0	0	111.4	V220 H221 R243 Y244 D245 N252	V220-F249 HydrophobicContact CG1-CE1 4.34Å; V220-F249 HydrophobicContact CG1-CZ 4.41Å; V220-F249 HydrophobicContact CG2-CE1 4.43Å; H221-F249 AromaticContact CD2-CE1 3.42Å; H221-F249 VanDerWaalsContact CD2-CE1 3.42Å; H221-F249 WeakPolarHBondContact CD2-CE1 3.12Å; H221-F249 AromaticContact CD2-CZ 3.92Å; H221-F249 AromaticContact NE2-CE1 3.76Å; H221-F249 AromaticContact NE2-CZ 3.76Å; R243-F249 HydrophobicContact CB-CD1 3.65Å; R243-F249 HydrophobicContact CB-CE1 3.79Å; R243-F249 HydrophobicContact CB-CG 4.06Å; R243-F249 HydrophobicContact CB-CZ 4.36Å; R243-F249 HydrophobicContact CG-CB 4.16Å; R243-F249 HydrophobicContact CG-CD1 3.9Å; R243-F249 HydrophobicContact CG-CD2 4.03Å; R243-F249 HydrophobicContact CG-CE1 4.26Å; R243-F249 HydrophobicContact CG-CE2 4.43Å; R243-F249 HydrophobicContact CG-CG 3.75Å; R243-F249 VanDerWaalsContact CZ-CD2 3.45Å; R243-F249 VanDerWaalsContact CZ-CE2 3.5Å; R243-F249 VanDerWaalsContact NH1-CE2 3.26Å; R243-F249 VanDerWaalsContact O-CD1 3.22Å; R243-F249 WeakPolarHBondContact O-CD1 3.46Å; Y244-F249 PolarHBondContact O-N 2.78Å; D245-F249 HydrophobicContact CB-CB 3.99Å; F249-N252 WeakPolarHBondContact O-CA 3.44Å; F249-N252 PolarHBondContact O-N 2.71Å; F249-N252 PolarHBondContact O-ND2 3.08Å
250	W	94.1	Very high	95.6	Very high	57 Å²	57	21 Å²	21	22%	0.216	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	134.5	-178.9	-174.3	95.8	0	0	0	109.7	D138 H182 H221 W427	D138-W250 PolarHBondContact OD2-NE1 3.29Å; H182-W250 AromaticContact CD2-CH2 3.69Å; H182-W250 AromaticContact CD2-CZ3 3.81Å; H182-W250 AromaticContact CE1-CH2 3.81Å; H182-W250 AromaticContact CE1-CZ3 3.47Å; H182-W250 VanDerWaalsContact CE1-CZ3 3.47Å; H182-W250 WeakPolarHBondContact CE1-CZ3 3.36Å; H182-W250 AromaticContact CG-CH2 3.83Å; H182-W250 AromaticContact ND1-CH2 3.9Å; H182-W250 AromaticContact NE2-CH2 3.65Å; H182-W250 AromaticContact NE2-CZ3 3.27Å; H182-W250 VanDerWaalsContact NE2-CZ3 3.27Å; H182-W250 WeakPolarHBondContact NE2-CZ3 3.23Å; H221-W250 HydrophobicContact CB-CE3 4.15Å; H221-W250 HydrophobicContact CB-CZ3 3.99Å; H221-W250 AromaticContact CD2-CE3 3.56Å; H221-W250 AromaticContact CG-CE3 3.94Å; W250-W427 HydrophobicContact CZ2-CH2 4.27Å; W250-W427 HydrophobicContact CZ2-CZ3 4.46Å
251	P	95.1	Very high	95.5	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.026	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.6	13.8	17.9	35.6	-38.3	0	0	0	116.6	H222 L253 W427	H222-P251 HydrophobicContact CB-CG 4.48Å; P251-L253 VanDerWaalsContact C-N 3.26Å; P251-L253 HydrophobicContact CB-CD1 4Å; P251-L253 HydrophobicContact CB-CG 4Å; P251-L253 HydrophobicContact CG-CB 4.46Å; P251-L253 HydrophobicContact CG-CD1 3.62Å; P251-L253 HydrophobicContact CG-CG 3.84Å; P251-L253 PolarHBondContact O-N 2.79Å; P251-W427 HydrophobicContact CB-CZ3 4.13Å
252	N	94.1	Very high	95.3	Very high	42 Å²	42	21.7 Å²	21.7	23%	0.225	11%	0.108	C	C	.	.			trans	62.1	28.2	176	-59.3	105.5	0	0	0	114.9	G247 E248 F249	G247-N252 WeakPolarHBondContact O-CA 3.4Å; G247-N252 PolarHBondContact O-ND2 3.46Å; E248-N252 WeakPolarHBondContact CA-ND2 3.38Å; E248-N252 PolarHBondContact O-ND2 3.26Å; F249-N252 WeakPolarHBondContact O-CA 3.44Å; F249-N252 PolarHBondContact O-N 2.71Å; F249-N252 PolarHBondContact O-ND2 3.08Å
253	L	94.9	Very high	95.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.127	C	C	.	.			trans	-92	136.1	-174.2	-63.9	174.7	0	0	0	111.9	N224 Y244 P251 E255 S256 W427 V430	N224-L253 HydrophobicContact CB-CD1 3.5Å; Y244-L253 WeakPolarHBondContact CE2-O 3.48Å; P251-L253 VanDerWaalsContact C-N 3.26Å; P251-L253 HydrophobicContact CB-CD1 4Å; P251-L253 HydrophobicContact CB-CG 4Å; P251-L253 HydrophobicContact CG-CB 4.46Å; P251-L253 HydrophobicContact CG-CD1 3.62Å; P251-L253 HydrophobicContact CG-CG 3.84Å; P251-L253 PolarHBondContact O-N 2.79Å; L253-E255 HydrophobicContact CB-CG 3.99Å; L253-E255 HydrophobicContact CD1-CG 4.41Å; L253-E255 PolarHBondContact O-N 3.48Å; L253-S256 WeakPolarHBondContact CB-OG 3.37Å; L253-S256 PolarHBondContact O-N 3.35Å; L253-W427 HydrophobicContact CD2-CB 4.47Å; L253-W427 HydrophobicContact CD2-CE3 4.41Å; L253-V430 HydrophobicContact CD2-CG2 3.44Å; L253-V430 VanDerWaalsContact CD2-CG2 3.44Å; L253-V430 HydrophobicContact CG-CG2 4.43Å
254	R	93.3	Very high	94.9	Very high	16 Å²	16	27.5 Å²	27.5	6%	0.06	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-65.8	-33.3	174.5	177	56.8	-173.7	79.6	2	111.4	S256 N257 D259 F260 L422 S875 V880	R254-S256 PolarHBondContact O-N 2.98Å; R254-N257 VanDerWaalsContact NH1-CB 3.31Å; R254-N257 WeakPolarHBondContact O-CB 3.48Å; R254-N257 PolarHBondContact O-N 2.82Å; R254-D259 IonicContact CZ-OD1 3.3Å; R254-D259 IonicContact CZ-OD2 3.6Å; R254-D259 IonicContact NH1-OD1 2.91Å; R254-D259 PolarHBondContact NH1-OD1 3.26Å; R254-D259 IonicContact NH1-OD2 3.91Å; R254-D259 IonicContact NH2-OD1 3.03Å; R254-D259 PolarHBondContact NH2-OD1 3.42Å; R254-D259 IonicContact NH2-OD2 2.78Å; R254-D259 PolarHBondContact NH2-OD2 3.01Å; R254-F260 HydrophobicContact CG-CE2 4.17Å; R254-F260 HydrophobicContact CG-CZ 4.43Å; R254-F260 VanDerWaalsContact NH1-CE2 3.26Å; R254-L422 HydrophobicContact CG-CD1 4.1Å; R254-S875 PolarHBondContact NE-O 3.45Å; R254-V880 HydrophobicContact CB-CG2 4.19Å
255	E	95.1	Very high	94.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-73	-5.2	179.6	62.6	-94.2	-136.7	0	0	114.8	Q227 Y228 L253 N257 F260 N272 S426	Q227-E255 PolarHBondContact NE2-O 3.32Å; Y228-E255 HydrophobicContact CE1-CG 4.12Å; Y228-E255 PolarHBondContact OH-OE1 3.25Å; L253-E255 HydrophobicContact CB-CG 3.99Å; L253-E255 HydrophobicContact CD1-CG 4.41Å; L253-E255 PolarHBondContact O-N 3.48Å; E255-N257 VanDerWaalsContact C-N 3.26Å; E255-F260 VanDerWaalsContact CA-CG 3.49Å; E255-F260 HydrophobicContact CB-CD1 3.34Å; E255-F260 HydrophobicContact CB-CD2 4.3Å; E255-F260 HydrophobicContact CB-CE1 3.34Å; E255-F260 HydrophobicContact CB-CE2 4.31Å; E255-F260 HydrophobicContact CB-CG 3.84Å; E255-F260 HydrophobicContact CB-CZ 3.85Å; E255-F260 WeakPolarHBondContact O-CB 3.33Å; E255-N272 PolarHBondContact O-ND2 2.93Å; E255-S426 WeakPolarHBondContact OE1-CA 3.44Å; E255-S426 PolarHBondContact OE1-N 2.85Å; E255-S426 PolarHBondContact OE1-OG 3.22Å; E255-S426 PolarHBondContact OE2-OG 3.24Å
256	S	96.6	Very high	94.8	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.014	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-78.3	-9.3	168.1	-55.1	0	0	0	0	112.7	H222 H242 L253 R254 N272	H222-S256 WeakPolarHBondContact CB-OG 3.33Å; H222-S256 VanDerWaalsContact CG-OG 3.29Å; H222-S256 WeakPolarHBondContact ND1-CB 3.49Å; H222-S256 PolarHBondContact ND1-OG 2.99Å; H242-S256 PolarHBondContact CE1-O 2.89Å; H242-S256 PolarHBondContact NE2-O 3.15Å; L253-S256 WeakPolarHBondContact CB-OG 3.37Å; L253-S256 PolarHBondContact O-N 3.35Å; R254-S256 PolarHBondContact O-N 2.98Å; S256-N272 WeakPolarHBondContact O-CB 3.35Å
257	N	96	Very high	94.8	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.053	17%	0.174	C	C	.	.	S	Bend	trans	-79.2	165.3	-178.7	-151.4	1.5	0	0	0	112.9	Y244 R254 E255 D259 F260 N272	Y244-N257 HydrophobicContact CE1-CB 3.95Å; Y244-N257 HydrophobicContact CE2-CB 4.47Å; R254-N257 VanDerWaalsContact NH1-CB 3.31Å; R254-N257 WeakPolarHBondContact O-CB 3.48Å; R254-N257 PolarHBondContact O-N 2.82Å; E255-N257 VanDerWaalsContact C-N 3.26Å; N257-D259 PolarHBondContact O-N 3.22Å; N257-D259 VanDerWaalsContact O-N 3.12Å; N257-F260 PolarHBondContact O-N 2.93Å; N257-N272 WeakPolarHBondContact O-CB 3.38Å; N257-N272 PolarHBondContact O-ND2 3.16Å; N257-N272 VanDerWaalsContact O-ND2 3.12Å
258	Y	95.3	Very high	94.9	Very high	22 Å²	22	32.8 Å²	32.8	9%	0.086	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17	-171.3	71.3	-95.2	0	0	0	116.1	I261 N272 N392 T396	Y258-I261 WeakPolarHBondContact O-CG2 3.36Å; Y258-N272 WeakPolarHBondContact CA-O 3.32Å; Y258-N392 HydrophobicContact CD1-CB 3.66Å; Y258-N392 HydrophobicContact CD2-CB 3.66Å; Y258-N392 WeakPolarHBondContact CD2-O 3.42Å; Y258-N392 HydrophobicContact CE1-CB 3.82Å; Y258-N392 HydrophobicContact CE2-CB 3.83Å; Y258-N392 HydrophobicContact CG-CB 3.61Å; Y258-T396 HydrophobicContact CD2-CG2 3.6Å; Y258-T396 HydrophobicContact CE2-CG2 3.71Å; Y258-T396 PolarHBondContact O-OG1 3.15Å
259	D	93.2	Very high	95.1	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.043	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.3	-177.3	62.6	-27.4	0	0	0	113.7	R254 N257 I261 T396	R254-D259 IonicContact CZ-OD1 3.3Å; R254-D259 IonicContact CZ-OD2 3.6Å; R254-D259 IonicContact NH1-OD1 2.91Å; R254-D259 PolarHBondContact NH1-OD1 3.26Å; R254-D259 IonicContact NH1-OD2 3.91Å; R254-D259 IonicContact NH2-OD1 3.03Å; R254-D259 PolarHBondContact NH2-OD1 3.42Å; R254-D259 IonicContact NH2-OD2 2.78Å; R254-D259 PolarHBondContact NH2-OD2 3.01Å; N257-D259 PolarHBondContact O-N 3.22Å; N257-D259 VanDerWaalsContact O-N 3.12Å; D259-I261 PolarHBondContact O-N 3.05Å; D259-T396 HydrophobicContact CB-CG2 4.34Å
260	F	95.5	Very high	95.3	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.022	15%	0.146	C	C	.	.			trans	-84.7	83.8	170.8	-81.3	-107.2	0	0	0	110.7	Y231 R254 E255 N257 N270 I419 L422 L424	Y231-F260 HydrophobicContact CE2-CB 4.38Å; Y231-F260 WeakPolarHBondContact OH-CA 3.47Å; Y231-F260 WeakPolarHBondContact OH-CD1 3.32Å; R254-F260 HydrophobicContact CG-CE2 4.17Å; R254-F260 HydrophobicContact CG-CZ 4.43Å; R254-F260 VanDerWaalsContact NH1-CE2 3.26Å; E255-F260 VanDerWaalsContact CA-CG 3.49Å; E255-F260 HydrophobicContact CB-CD1 3.34Å; E255-F260 HydrophobicContact CB-CD2 4.3Å; E255-F260 HydrophobicContact CB-CE1 3.34Å; E255-F260 HydrophobicContact CB-CE2 4.31Å; E255-F260 HydrophobicContact CB-CG 3.84Å; E255-F260 HydrophobicContact CB-CZ 3.85Å; E255-F260 WeakPolarHBondContact O-CB 3.33Å; N257-F260 PolarHBondContact O-N 2.93Å; F260-N270 PolarHBondContact O-ND2 3.16Å; F260-I419 HydrophobicContact CD2-CD1 4.39Å; F260-I419 HydrophobicContact CE2-CD1 4.36Å; F260-I419 HydrophobicContact CZ-CD1 4.5Å; F260-L422 HydrophobicContact CE2-CD1 4.19Å; F260-L422 HydrophobicContact CZ-CB 4.22Å; F260-L422 HydrophobicContact CZ-CD1 4.05Å; F260-L424 HydrophobicContact CD1-CD1 4.13Å; F260-L424 HydrophobicContact CE1-CD1 4.35Å
261	I	95.6	Very high	95.5	Very high	9 Å²	9	25.8 Å²	25.8	5%	0.046	14%	0.136	C	C	.	.			trans	-102.9	11.3	-169.7	60.3	166.5	0	0	0	115.3	Y258 D259 R267 G268 N270 L397 F399 F416	Y258-I261 WeakPolarHBondContact O-CG2 3.36Å; D259-I261 PolarHBondContact O-N 3.05Å; I261-R267 HydrophobicContact CD1-CG 4.12Å; I261-R267 HydrophobicContact CG1-CG 4.37Å; I261-G268 WeakPolarHBondContact O-CA 3.2Å; I261-G268 PolarHBondContact O-N 2.63Å; I261-N270 VanDerWaalsContact CA-O 3.32Å; I261-N270 WeakPolarHBondContact CA-O 3.24Å; I261-N270 PolarHBondContact O-N 2.88Å; I261-L397 HydrophobicContact CB-CD2 4.26Å; I261-L397 HydrophobicContact CG2-CD2 3.81Å; I261-F399 HydrophobicContact CD1-CE1 3.77Å; I261-F399 HydrophobicContact CD1-CZ 4.27Å; I261-F416 HydrophobicContact CD1-CE1 4.36Å
262	G	95.5	Very high	95.7	Very high	6 Å²	6	25.7 Å²	25.7	6%	0.062	14%	0.135	C	C	.	.			trans	94.7	170.8	-175.4	0	0	0	0	0	113.4	Y231	Y231-G262 VanDerWaalsContact CE1-CA 3.5Å; Y231-G262 VanDerWaalsContact CE2-N 3.35Å; Y231-G262 VanDerWaalsContact CZ-CA 3.4Å; Y231-G262 VanDerWaalsContact CZ-N 3.27Å; Y231-G262 CarbonylContact O-C 3.42Å; Y231-G262 WeakPolarHBondContact O-CA 3.3Å; Y231-G262 PolarHBondContact OH-N 2.95Å
263	T	94.6	Very high	95.9	Very high	66 Å²	66	23.7 Å²	23.7	41%	0.405	13%	0.125	S	C	.	.			trans	-131.3	165.6	-176.6	51.2	0	0	0	0	112.5	Y231 D232 R265 G266 R267	Y231-T263 HydrophobicContact CD1-CG2 4.03Å; Y231-T263 HydrophobicContact CE1-CG2 3.56Å; Y231-T263 PolarHBondContact O-N 2.97Å; D232-T263 WeakPolarHBondContact CA-O 3.34Å; T263-R265 PolarHBondContact O-N 3.38Å; T263-G266 CarbonylContact O-C 3.49Å; T263-G266 WeakPolarHBondContact O-CA 3.22Å; T263-G266 PolarHBondContact O-N 3.18Å; T263-R267 PolarHBondContact O-N 3.2Å; T263-R267 VanDerWaalsContact O-N 3.15Å
264	G	94.2	Very high	96.1	Very high	71 Å²	71	23.8 Å²	23.8	73%	0.732	13%	0.125	S	C	*	.	G	3₁₀ helix	trans	52.4	-124.7	178.1	0	0	0	0	0	112.2	R267	G264-R267 WeakPolarHBondContact O-CB 3.48Å; G264-R267 PolarHBondContact O-N 3.04Å
265	R	94.2	Very high	96.3	Very high	186 Å²	186	23 Å²	23	70%	0.702	12%	0.122	S	C	*	.	G	3₁₀ helix	trans	-73.6	-30.1	178.5	-65.8	176.7	62.4	160.2	-0.1	112.7	P234 T263 R267	P234-R265 HydrophobicContact CB-CB 4.47Å; P234-R265 HydrophobicContact CG-CB 3.9Å; T263-R265 PolarHBondContact O-N 3.38Å; R265-R267 PolarHBondContact O-N 3.13Å
266	G	95.7	Very high	96.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-75	-1.3	174.9	0	0	0	0	0	114.7	D232 T263 G268 F269	D232-G266 PolarHBondContact O-N 2.93Å; T263-G266 CarbonylContact O-C 3.49Å; T263-G266 WeakPolarHBondContact O-CA 3.22Å; T263-G266 PolarHBondContact O-N 3.18Å; G266-G268 PolarHBondContact O-N 2.85Å; G266-G268 VanDerWaalsContact O-N 3.16Å; G266-F269 WeakPolarHBondContact O-CB 3.33Å; G266-F269 PolarHBondContact O-N 3.3Å
267	R	95.1	Very high	96.5	Very high	67 Å²	67	27.7 Å²	27.7	25%	0.253	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	120.6	177.8	-171.5	178.6	-178.4	-74.5	-8.2	111.9	I261 T263 G264 R265 F399 R400	I261-R267 HydrophobicContact CD1-CG 4.12Å; I261-R267 HydrophobicContact CG1-CG 4.37Å; T263-R267 PolarHBondContact O-N 3.2Å; T263-R267 VanDerWaalsContact O-N 3.15Å; G264-R267 WeakPolarHBondContact O-CB 3.48Å; G264-R267 PolarHBondContact O-N 3.04Å; R265-R267 PolarHBondContact O-N 3.13Å; R267-F399 HydrophobicContact CG-CZ 4.2Å; R267-F399 VanDerWaalsContact NH1-CD2 3.29Å; R267-R400 PolarHBondContact O-NE 3.38Å
268	G	96.5	Very high	96.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	1	-174.5	0	0	0	0	0	114.4	I261 G266 W401	I261-G268 WeakPolarHBondContact O-CA 3.2Å; I261-G268 PolarHBondContact O-N 2.63Å; G266-G268 PolarHBondContact O-N 2.85Å; G266-G268 VanDerWaalsContact O-N 3.16Å; G268-W401 WeakPolarHBondContact O-CZ2 3.23Å; G268-W401 PolarHBondContact O-NE1 2.7Å
269	F	98.5	Very high	96.4	Very high	23 Å²	23	35.2 Å²	35.2	10%	0.101	18%	0.184	C	C	.	.	S	Bend	trans	-99.7	-1.8	176.7	-67	-95.5	0	0	0	113.4	P234 V236 L237 F238 G266 F300 R400 W401	P234-F269 HydrophobicContact CB-CD2 4.12Å; P234-F269 HydrophobicContact CB-CE1 4.44Å; P234-F269 HydrophobicContact CB-CE2 3.8Å; P234-F269 HydrophobicContact CB-CZ 3.99Å; P234-F269 WeakPolarHBondContact O-CE1 3.11Å; V236-F269 WeakPolarHBondContact O-CB 3.44Å; L237-F269 WeakPolarHBondContact CA-O 3.42Å; L237-F269 HydrophobicContact CB-CD1 4.44Å; L237-F269 WeakPolarHBondContact CD1-O 3.18Å; F238-F269 PolarHBondContact N-O 3.42Å; G266-F269 WeakPolarHBondContact O-CB 3.33Å; G266-F269 PolarHBondContact O-N 3.3Å; F269-F300 HydrophobicContact CD1-CD2 4.32Å; F269-F300 AromaticContact CD1-CE2 3.97Å; F269-F300 HydrophobicContact CD1-CE2 3.97Å; F269-F300 AromaticContact CE1-CD2 3.92Å; F269-F300 HydrophobicContact CE1-CD2 3.92Å; F269-F300 AromaticContact CE1-CE2 3.69Å; F269-F300 HydrophobicContact CE1-CE2 3.69Å; F269-R400 VanDerWaalsContact CE2-CZ 3.5Å; F269-W401 HydrophobicContact CD1-CH2 4.16Å; F269-W401 HydrophobicContact CD1-CZ2 4.13Å; F269-W401 AromaticContact CE1-CH2 3.95Å; F269-W401 HydrophobicContact CE1-CH2 3.95Å; F269-W401 HydrophobicContact CE1-CZ2 4.26Å
270	N	98.7	Very high	96.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.011	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126	167.3	-168.5	87.5	0	0	0	108.9	Q227 Y231 F238 F260 I261	Q227-N270 VanDerWaalsContact CG-OD1 3.25Å; Q227-N270 WeakPolarHBondContact CG-OD1 3.34Å; Q227-N270 PolarHBondContact OE1-ND2 3.11Å; Q227-N270 PolarHBondContact OE1-OD1 3.37Å; Y231-N270 HydrophobicContact CD2-CB 4.18Å; Y231-N270 HydrophobicContact CE2-CB 4.23Å; F238-N270 VanDerWaalsContact CD1-OD1 3.29Å; F238-N270 WeakPolarHBondContact CD1-OD1 3.48Å; F260-N270 PolarHBondContact O-ND2 3.16Å; I261-N270 VanDerWaalsContact CA-O 3.32Å; I261-N270 WeakPolarHBondContact CA-O 3.24Å; I261-N270 PolarHBondContact O-N 2.88Å
271	V	98.8	Very high	96.7	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	112.2	-175.4	179.2	0	0	0	0	109.3	L237 F238 I239 S240 I273 I292 L296 L397	L237-V271 HydrophobicContact CD1-CG2 4.09Å; F238-V271 PolarHBondContact O-N 2.83Å; I239-V271 WeakPolarHBondContact CA-O 3.34Å; I239-V271 HydrophobicContact CB-CB 4.3Å; I239-V271 HydrophobicContact CG1-CB 4.03Å; I239-V271 HydrophobicContact CG1-CG2 4.26Å; I239-V271 HydrophobicContact CG2-CB 4.17Å; I239-V271 HydrophobicContact CG2-CG1 4Å; S240-V271 PolarHBondContact N-O 3.08Å; V271-I273 HydrophobicContact CG1-CD1 4.33Å; V271-I273 HydrophobicContact CG1-CG1 3.98Å; V271-I292 HydrophobicContact CG1-CG2 4.15Å; V271-L296 HydrophobicContact CG1-CD1 4.26Å; V271-L296 HydrophobicContact CG2-CD1 3.72Å; V271-L397 HydrophobicContact CB-CD1 4.32Å; V271-L397 HydrophobicContact CG1-CD1 3.72Å; V271-L397 HydrophobicContact CG2-CD1 3.87Å; V271-L397 HydrophobicContact CG2-CD2 4.13Å
272	N	98.7	Very high	96.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.011	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.4	175.7	-69.1	-27.8	0	0	0	110	H222 Q227 E255 S256 N257 Y258	H222-N272 PolarHBondContact NE2-OD1 2.82Å; Q227-N272 PolarHBondContact OE1-ND2 2.9Å; Q227-N272 PolarHBondContact OE1-OD1 3.37Å; E255-N272 PolarHBondContact O-ND2 2.93Å; S256-N272 WeakPolarHBondContact O-CB 3.35Å; N257-N272 WeakPolarHBondContact O-CB 3.38Å; N257-N272 PolarHBondContact O-ND2 3.16Å; N257-N272 VanDerWaalsContact O-ND2 3.12Å; Y258-N272 WeakPolarHBondContact CA-O 3.32Å
273	I	98.7	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	84.2	177	-50.3	-175.1	0	0	0	107.3	I239 S240 I241 H242 V271 L275 I288 I292 V293 T389	I239-I273 HydrophobicContact CG2-CD1 3.93Å; I239-I273 HydrophobicContact CG2-CG1 4.46Å; S240-I273 PolarHBondContact O-N 3.3Å; I241-I273 HydrophobicContact CG1-CB 4.18Å; I241-I273 HydrophobicContact CG1-CD1 3.97Å; I241-I273 HydrophobicContact CG1-CG1 4.45Å; I241-I273 HydrophobicContact CG2-CG2 4.47Å; H242-I273 PolarHBondContact N-O 3.42Å; V271-I273 HydrophobicContact CG1-CD1 4.33Å; V271-I273 HydrophobicContact CG1-CG1 3.98Å; I273-L275 HydrophobicContact CG2-CD2 4.43Å; I273-L275 PolarHBondContact O-N 2.81Å; I273-I288 HydrophobicContact CD1-CG2 3.63Å; I273-I288 HydrophobicContact CG2-CD1 4.21Å; I273-I288 HydrophobicContact CG2-CG1 4.27Å; I273-I288 HydrophobicContact CG2-CG2 3.9Å; I273-I292 HydrophobicContact CD1-CB 3.98Å; I273-I292 HydrophobicContact CD1-CG2 3.62Å; I273-I292 HydrophobicContact CG1-CG2 4.45Å; I273-V293 HydrophobicContact CD1-CG2 4.32Å; I273-T389 HydrophobicContact CG2-CG2 3.72Å
274	A	98.2	Very high	97.2	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.017	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	104.5	-169.8	0	0	0	0	0	112.4	Y244 N276 T389	Y244-A274 HydrophobicContact CD1-CB 3.89Å; Y244-A274 HydrophobicContact CG-CB 3.83Å; A274-N276 PolarHBondContact O-ND2 2.98Å; A274-N276 VanDerWaalsContact O-ND2 3.08Å; A274-T389 WeakPolarHBondContact O-CG2 3.14Å; A274-T389 PolarHBondContact O-OG1 2.89Å; A274-T389 VanDerWaalsContact O-OG1 3.13Å
275	L	98.7	Very high	97.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.2	-175.7	-53.1	176.4	0	0	0	112.3	I241 H242 Y244 D245 I273 I280 Y285 I288 L322 V386 T389	I241-L275 HydrophobicContact CG2-CD1 3.87Å; I241-L275 HydrophobicContact CG2-CD2 4.5Å; I241-L275 HydrophobicContact CG2-CG 4.3Å; H242-L275 WeakPolarHBondContact O-CB 3.24Å; H242-L275 WeakPolarHBondContact O-CG 3.37Å; H242-L275 PolarHBondContact O-N 2.9Å; Y244-L275 PolarHBondContact N-O 2.88Å; D245-L275 PolarHBondContact N-O 3.03Å; I273-L275 HydrophobicContact CG2-CD2 4.43Å; I273-L275 PolarHBondContact O-N 2.81Å; L275-I280 HydrophobicContact CB-CD1 3.61Å; L275-I280 HydrophobicContact CD1-CD1 4Å; L275-I280 HydrophobicContact CD1-CG2 4.32Å; L275-I280 HydrophobicContact CD2-CD1 4.15Å; L275-I280 HydrophobicContact CG-CD1 4.13Å; L275-Y285 HydrophobicContact CD1-CE2 3.81Å; L275-I288 HydrophobicContact CD2-CD1 3.63Å; L275-L322 HydrophobicContact CD1-CD1 4.35Å; L275-V386 HydrophobicContact CD2-CG2 4.41Å; L275-T389 HydrophobicContact CD2-CG2 4.4Å
276	N	97.7	Very high	97.6	Very high	40 Å²	40	20.3 Å²	20.3	21%	0.214	10%	0.102	C	C	.	.			trans	-120	22.7	-170.5	-61.7	-59.3	0	0	0	114.5	Y244 D245 N246 A274	Y244-N276 WeakPolarHBondContact CD1-OD1 3.46Å; D245-N276 PolarHBondContact N-OD1 3.18Å; N246-N276 PolarHBondContact N-OD1 2.85Å; A274-N276 PolarHBondContact O-ND2 2.98Å; A274-N276 VanDerWaalsContact O-ND2 3.08Å
277	D	96.8	Very high	97.7	Very high	62 Å²	62	20.4 Å²	20.4	33%	0.332	10%	0.102	S	C	.	.			trans	-143.3	156.5	175.8	-163.6	-22.4	0	0	0	109.6	D279 I280 N383 S385	D277-D279 PolarHBondContact OD1-N 3.09Å; D277-I280 HydrophobicContact CB-CD1 4.33Å; D277-I280 HydrophobicContact CB-CG1 4.3Å; D277-I280 WeakPolarHBondContact O-CD1 3.42Å; D277-N383 PolarHBondContact OD2-ND2 2.98Å; D277-S385 VanDerWaalsContact CB-OG 3.26Å; D277-S385 WeakPolarHBondContact CB-OG 3.48Å
278	K	92.8	Very high	97.9	Very high	97 Å²	97	17.2 Å²	17.2	42%	0.422	9%	0.09	S	C	.	.	S	Bend	trans	-91.5	-27	175.2	-55.1	-166.8	-171.5	-155.2	0	112.9	I280	K278-I280 PolarHBondContact O-N 3.03Å
279	D	96	Very high	98	Very high	93 Å²	93	17.2 Å²	17.2	50%	0.497	9%	0.09	S	C	.	.			trans	-83.1	63.5	177.5	-166.9	25.9	0	0	0	111.2	D277 N323 N383	D277-D279 PolarHBondContact OD1-N 3.09Å; D279-N323 PolarHBondContact OD1-ND2 3.29Å; D279-N383 PolarHBondContact O-ND2 3.23Å
280	I	98.4	Very high	98	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.			trans	-116.7	127.2	178.7	-63.1	179.7	0	0	0	108.3	L275 D277 K278 D284 Y285 L322 N323 V386	L275-I280 HydrophobicContact CB-CD1 3.61Å; L275-I280 HydrophobicContact CD1-CD1 4Å; L275-I280 HydrophobicContact CD1-CG2 4.32Å; L275-I280 HydrophobicContact CD2-CD1 4.15Å; L275-I280 HydrophobicContact CG-CD1 4.13Å; D277-I280 HydrophobicContact CB-CD1 4.33Å; D277-I280 HydrophobicContact CB-CG1 4.3Å; D277-I280 WeakPolarHBondContact O-CD1 3.42Å; K278-I280 PolarHBondContact O-N 3.03Å; I280-D284 WeakPolarHBondContact CA-OD2 3.47Å; I280-D284 HydrophobicContact CG2-CB 3.66Å; I280-Y285 HydrophobicContact CG2-CD2 3.97Å; I280-Y285 HydrophobicContact CG2-CE2 3.95Å; I280-L322 HydrophobicContact CB-CD2 4.28Å; I280-N323 WeakPolarHBondContact O-CA 3.44Å; I280-N323 WeakPolarHBondContact O-CB 3.33Å; I280-N323 PolarHBondContact O-N 3.29Å; I280-V386 HydrophobicContact CD1-CG2 3.91Å; I280-V386 HydrophobicContact CG1-CG2 4.06Å; I280-V386 HydrophobicContact CG2-CG2 4.41Å
281	G	97.9	Very high	98	Very high	12 Å²	12	16.2 Å²	16.2	12%	0.124	9%	0.085	C	C	.	.			trans	-134.9	-160	-176.6	0	0	0	0	0	113.9	S283 D284 Y285	G281-S283 PolarHBondContact O-N 2.78Å; G281-D284 PolarHBondContact N-OD2 2.93Å; G281-D284 WeakPolarHBondContact O-CB 3.41Å; G281-D284 PolarHBondContact O-N 3.1Å; G281-D284 VanDerWaalsContact O-N 3.1Å; G281-Y285 PolarHBondContact O-N 2.69Å
282	D	98.5	Very high	98	Very high	16 Å²	16	16.2 Å²	16.2	9%	0.086	9%	0.085	C	C	.	.	H	α-helix	trans	-57.5	-42.5	-172.9	-63.4	5.1	0	0	0	113.9	D284 Y285 L286 L324 S325 L328	D282-D284 PolarHBondContact O-N 3.14Å; D282-Y285 PolarHBondContact O-N 3.28Å; D282-L286 WeakPolarHBondContact O-CB 3.37Å; D282-L286 VanDerWaalsContact O-CG 3.23Å; D282-L286 WeakPolarHBondContact O-CG 3.17Å; D282-L286 PolarHBondContact O-N 3.39Å; D282-L324 WeakPolarHBondContact OD1-CA 3.45Å; D282-S325 PolarHBondContact OD1-N 3.02Å; D282-S325 PolarHBondContact OD1-OG 3.05Å; D282-S325 WeakPolarHBondContact OD2-CB 3.12Å; D282-S325 PolarHBondContact OD2-OG 3.18Å; D282-L328 HydrophobicContact CB-CD1 4.12Å; D282-L328 HydrophobicContact CB-CD2 4.25Å
283	S	98.3	Very high	98	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.028	9%	0.085	C	C	.	.	H	α-helix	trans	-61.2	-35.9	178.9	45.5	0	0	0	0	112.2	G281 T287 K380	G281-S283 PolarHBondContact O-N 2.78Å; S283-T287 WeakPolarHBondContact O-CB 3.11Å; S283-T287 PolarHBondContact O-N 3.33Å; S283-T287 PolarHBondContact O-OG1 3.12Å; S283-K380 WeakPolarHBondContact CB-O 3.39Å; S283-K380 PolarHBondContact OG-O 2.88Å
284	D	98.6	Very high	98	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.032	9%	0.085	C	C	.	.	H	α-helix	trans	-73.1	-48	-178.8	-56.7	-58.3	0	0	0	111.2	I280 G281 D282 L286 T287 I288 N383 V386	I280-D284 WeakPolarHBondContact CA-OD2 3.47Å; I280-D284 HydrophobicContact CG2-CB 3.66Å; G281-D284 PolarHBondContact N-OD2 2.93Å; G281-D284 WeakPolarHBondContact O-CB 3.41Å; G281-D284 PolarHBondContact O-N 3.1Å; G281-D284 VanDerWaalsContact O-N 3.1Å; D282-D284 PolarHBondContact O-N 3.14Å; D284-L286 PolarHBondContact O-N 2.89Å; D284-T287 WeakPolarHBondContact O-CB 3.47Å; D284-T287 PolarHBondContact O-N 3.22Å; D284-T287 VanDerWaalsContact O-N 3.15Å; D284-I288 WeakPolarHBondContact O-CG1 3.33Å; D284-I288 PolarHBondContact O-N 3.22Å; D284-N383 WeakPolarHBondContact OD1-CB 3.47Å; D284-N383 PolarHBondContact OD1-N 2.85Å; D284-V386 HydrophobicContact CB-CB 4.45Å; D284-V386 HydrophobicContact CB-CG1 4.17Å; D284-V386 HydrophobicContact CB-CG2 3.91Å
285	Y	98.7	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-39.8	176.3	-96.3	-113.2	0	0	0	112.1	I241 L275 I280 G281 D282 T287 I288 F289 S313 L322 L324 L328 L332	I241-Y285 HydrophobicContact CB-CE1 4.34Å; I241-Y285 HydrophobicContact CD1-CD1 4.41Å; I241-Y285 HydrophobicContact CD1-CE1 4.35Å; I241-Y285 HydrophobicContact CG2-CD1 4.5Å; I241-Y285 HydrophobicContact CG2-CE1 3.8Å; I241-Y285 HydrophobicContact CG2-CE2 4.23Å; L275-Y285 HydrophobicContact CD1-CE2 3.81Å; I280-Y285 HydrophobicContact CG2-CD2 3.97Å; I280-Y285 HydrophobicContact CG2-CE2 3.95Å; G281-Y285 PolarHBondContact O-N 2.69Å; D282-Y285 PolarHBondContact O-N 3.28Å; Y285-T287 VanDerWaalsContact C-N 3.3Å; Y285-T287 PolarHBondContact O-N 3.27Å; Y285-I288 PolarHBondContact O-N 3.32Å; Y285-F289 WeakPolarHBondContact O-CB 3.5Å; Y285-F289 WeakPolarHBondContact O-CD2 3.4Å; Y285-F289 PolarHBondContact O-N 2.97Å; Y285-S313 PolarHBondContact OH-OG 2.85Å; Y285-L322 HydrophobicContact CE2-CD1 4.36Å; Y285-L324 HydrophobicContact CD1-CD2 3.72Å; Y285-L324 HydrophobicContact CD2-CD1 3.71Å; Y285-L324 HydrophobicContact CD2-CD2 3.93Å; Y285-L324 HydrophobicContact CD2-CG 4.12Å; Y285-L324 HydrophobicContact CE1-CD2 3.71Å; Y285-L324 HydrophobicContact CE2-CD1 3.66Å; Y285-L324 HydrophobicContact CE2-CD2 3.93Å; Y285-L324 HydrophobicContact CE2-CG 4.32Å; Y285-L324 HydrophobicContact CG-CD1 4.37Å; Y285-L324 HydrophobicContact CG-CD2 3.81Å; Y285-L324 HydrophobicContact CG-CG 4.28Å; Y285-L328 HydrophobicContact CG-CD2 4.4Å; Y285-L332 HydrophobicContact CD1-CD1 4.2Å
286	L	98.7	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.9	-43.6	172.4	-75	171.8	0	0	0	111.1	D282 D284 F289 H290 L328 L376 M379 Y718	D282-L286 WeakPolarHBondContact O-CB 3.37Å; D282-L286 VanDerWaalsContact O-CG 3.23Å; D282-L286 WeakPolarHBondContact O-CG 3.17Å; D282-L286 PolarHBondContact O-N 3.39Å; D284-L286 PolarHBondContact O-N 2.89Å; L286-F289 PolarHBondContact O-N 2.88Å; L286-H290 WeakPolarHBondContact O-CB 3.47Å; L286-H290 PolarHBondContact O-CD2 3.34Å; L286-H290 VanDerWaalsContact O-CD2 3.31Å; L286-H290 PolarHBondContact O-N 3.46Å; L286-H290 PolarHBondContact O-ND1 3.17Å; L286-L328 HydrophobicContact CD1-CD1 4.28Å; L286-L328 HydrophobicContact CD2-CD1 3.94Å; L286-L328 HydrophobicContact CG-CD1 3.76Å; L286-L376 HydrophobicContact CD1-CD1 3.93Å; L286-M379 HydrophobicContact CD1-CE 4.12Å; L286-M379 HydrophobicContact CD1-SD 3.62Å; L286-Y718 HydrophobicContact CD1-CD1 3.63Å; L286-Y718 HydrophobicContact CD1-CD2 4.47Å; L286-Y718 HydrophobicContact CD1-CE1 3.6Å; L286-Y718 HydrophobicContact CD1-CE2 4.45Å; L286-Y718 HydrophobicContact CD1-CG 4.09Å; L286-Y718 HydrophobicContact CD2-CE1 4.03Å; L286-Y718 HydrophobicContact CD2-CE2 4.05Å; L286-Y718 HydrophobicContact CG-CE1 4.5Å
287	T	98.6	Very high	97.9	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-63.5	-43.7	177.7	-60.5	0	0	0	0	111.7	S283 D284 Y285 F289 H290 R291 I382 I390 M860	S283-T287 WeakPolarHBondContact O-CB 3.11Å; S283-T287 PolarHBondContact O-N 3.33Å; S283-T287 PolarHBondContact O-OG1 3.12Å; D284-T287 WeakPolarHBondContact O-CB 3.47Å; D284-T287 PolarHBondContact O-N 3.22Å; D284-T287 VanDerWaalsContact O-N 3.15Å; Y285-T287 VanDerWaalsContact C-N 3.3Å; Y285-T287 PolarHBondContact O-N 3.27Å; T287-F289 VanDerWaalsContact C-N 3.32Å; T287-F289 PolarHBondContact O-N 2.73Å; T287-H290 PolarHBondContact O-N 3.18Å; T287-R291 HydrophobicContact CG2-CG 4.14Å; T287-R291 VanDerWaalsContact O-CB 3.23Å; T287-R291 WeakPolarHBondContact O-CB 3.27Å; T287-R291 VanDerWaalsContact O-CG 3.26Å; T287-R291 WeakPolarHBondContact O-CG 3.45Å; T287-R291 PolarHBondContact O-N 3.26Å; T287-I382 HydrophobicContact CG2-CG1 4.46Å; T287-I382 HydrophobicContact CG2-CG2 4.35Å; T287-I382 WeakPolarHBondContact OG1-CD1 3.22Å; T287-I390 HydrophobicContact CG2-CD1 3.73Å; T287-M860 VanDerWaalsContact OG1-CE 3.31Å; T287-M860 WeakPolarHBondContact OG1-CE 3.42Å
288	I	98.8	Very high	97.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.6	-45.5	173.8	-71.5	162.5	0	0	0	110.8	I241 I273 L275 D284 Y285 R291 I292 V293 V386 I390	I241-I288 HydrophobicContact CD1-CG2 3.66Å; I241-I288 HydrophobicContact CG1-CG2 3.94Å; I241-I288 HydrophobicContact CG2-CD1 4.24Å; I273-I288 HydrophobicContact CD1-CG2 3.63Å; I273-I288 HydrophobicContact CG2-CD1 4.21Å; I273-I288 HydrophobicContact CG2-CG1 4.27Å; I273-I288 HydrophobicContact CG2-CG2 3.9Å; L275-I288 HydrophobicContact CD2-CD1 3.63Å; D284-I288 WeakPolarHBondContact O-CG1 3.33Å; D284-I288 PolarHBondContact O-N 3.22Å; Y285-I288 PolarHBondContact O-N 3.32Å; I288-R291 PolarHBondContact O-N 3.31Å; I288-I292 WeakPolarHBondContact O-CB 3.47Å; I288-I292 PolarHBondContact O-N 2.88Å; I288-V293 HydrophobicContact CG2-CG2 4.18Å; I288-V293 PolarHBondContact O-N 3.27Å; I288-V386 HydrophobicContact CD1-CG1 3.95Å; I288-V386 HydrophobicContact CG1-CG1 3.86Å; I288-I390 HydrophobicContact CG1-CD1 4.22Å; I288-I390 HydrophobicContact CG1-CG1 4.36Å
289	F	98.8	Very high	98	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-61.8	-48	177.3	-98.2	-109.8	0	0	0	111.9	V216 W218 I241 Y285 L286 T287 R291 V293 L294 L332 K335 L336	V216-F289 HydrophobicContact CG1-CZ 4.38Å; W218-F289 HydrophobicContact CE3-CZ 4.03Å; W218-F289 HydrophobicContact CZ3-CZ 4.34Å; I241-F289 HydrophobicContact CD1-CD2 4.03Å; I241-F289 HydrophobicContact CD1-CE2 3.62Å; Y285-F289 WeakPolarHBondContact O-CB 3.5Å; Y285-F289 WeakPolarHBondContact O-CD2 3.4Å; Y285-F289 PolarHBondContact O-N 2.97Å; L286-F289 PolarHBondContact O-N 2.88Å; T287-F289 VanDerWaalsContact C-N 3.32Å; T287-F289 PolarHBondContact O-N 2.73Å; F289-R291 VanDerWaalsContact C-N 3.34Å; F289-R291 PolarHBondContact O-N 3.12Å; F289-V293 HydrophobicContact CD1-CB 4.16Å; F289-V293 HydrophobicContact CD1-CG1 4.18Å; F289-V293 HydrophobicContact CD2-CB 4.45Å; F289-V293 HydrophobicContact CD2-CG2 3.97Å; F289-V293 HydrophobicContact CE1-CB 4.49Å; F289-V293 HydrophobicContact CE1-CG1 4.07Å; F289-V293 HydrophobicContact CE2-CG2 4.21Å; F289-V293 HydrophobicContact CG-CB 4.14Å; F289-V293 HydrophobicContact CG-CG2 4.15Å; F289-V293 HydrophobicContact CZ-CG1 4.36Å; F289-V293 PolarHBondContact O-N 2.9Å; F289-L294 HydrophobicContact CD1-CD2 4.4Å; F289-L294 WeakPolarHBondContact O-CB 3.43Å; F289-L294 WeakPolarHBondContact O-CG 3.37Å; F289-L294 PolarHBondContact O-N 3.44Å; F289-L332 HydrophobicContact CD1-CD2 4.05Å; F289-L332 HydrophobicContact CD2-CD2 3.64Å; F289-L332 HydrophobicContact CE1-CB 3.98Å; F289-L332 HydrophobicContact CE1-CD2 4.07Å; F289-L332 HydrophobicContact CE1-CG 4.5Å; F289-L332 HydrophobicContact CE2-CB 4.37Å; F289-L332 HydrophobicContact CE2-CD1 3.85Å; F289-L332 HydrophobicContact CE2-CD2 3.68Å; F289-L332 HydrophobicContact CE2-CG 4.15Å; F289-L332 HydrophobicContact CG-CD2 3.83Å; F289-L332 HydrophobicContact CZ-CB 3.81Å; F289-L332 HydrophobicContact CZ-CD1 4.05Å; F289-L332 HydrophobicContact CZ-CD2 3.9Å; F289-L332 HydrophobicContact CZ-CG 4.11Å; F289-K335 HydrophobicContact CD1-CD 4.49Å; F289-L336 HydrophobicContact CE1-CD2 4.21Å; F289-L336 HydrophobicContact CE1-CG 4.2Å
290	H	98.6	Very high	98	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.027	C	C	.	.	I	π-helix	trans	-66.2	-35.7	-177.9	-68.6	163.3	0	0	0	112.7	L286 T287 P295 K335 T710 N711 P715 Y718	L286-H290 WeakPolarHBondContact O-CB 3.47Å; L286-H290 PolarHBondContact O-CD2 3.34Å; L286-H290 VanDerWaalsContact O-CD2 3.31Å; L286-H290 PolarHBondContact O-N 3.46Å; L286-H290 PolarHBondContact O-ND1 3.17Å; T287-H290 PolarHBondContact O-N 3.18Å; H290-P295 WeakPolarHBondContact O-CD 3.33Å; H290-P295 VanDerWaalsContact O-CG 3.25Å; H290-P295 WeakPolarHBondContact O-CG 3.45Å; H290-K335 PolarHBondContact NE2-NZ 2.96Å; H290-T710 VanDerWaalsContact CB-O 3.23Å; H290-T710 WeakPolarHBondContact CB-O 3.44Å; H290-N711 PolarHBondContact O-OD1 3.19Å; H290-N711 VanDerWaalsContact O-OD1 3.06Å; H290-P715 HydrophobicContact CB-CG 4.32Å; H290-Y718 AromaticContact CE1-CD2 3.58Å; H290-Y718 AromaticContact CE1-CE2 3.6Å; H290-Y718 AromaticContact NE2-CE2 3.71Å
291	R	97.7	Very high	97.9	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.015	3%	0.034	C	C	.	.	I	π-helix	trans	-97.4	-25.1	-171.4	-64.4	-168.9	-173.7	-177.3	10.2	114.5	T287 I288 F289 I390 Y407 M860 K862 G863 F864	T287-R291 HydrophobicContact CG2-CG 4.14Å; T287-R291 VanDerWaalsContact O-CB 3.23Å; T287-R291 WeakPolarHBondContact O-CB 3.27Å; T287-R291 VanDerWaalsContact O-CG 3.26Å; T287-R291 WeakPolarHBondContact O-CG 3.45Å; T287-R291 PolarHBondContact O-N 3.26Å; I288-R291 PolarHBondContact O-N 3.31Å; F289-R291 VanDerWaalsContact C-N 3.34Å; F289-R291 PolarHBondContact O-N 3.12Å; R291-I390 HydrophobicContact CB-CG2 4.24Å; R291-Y407 WeakPolarHBondContact CB-OH 3.4Å; R291-Y407 WeakPolarHBondContact CD-OH 3.16Å; R291-Y407 WeakPolarHBondContact CG-OH 3.35Å; R291-M860 PolarHBondContact NH2-O 2.76Å; R291-K862 VanDerWaalsContact CZ-O 3.31Å; R291-K862 PolarHBondContact NH1-O 2.97Å; R291-K862 PolarHBondContact NH2-O 3.13Å; R291-G863 PolarHBondContact NH1-O 3.36Å; R291-G863 VanDerWaalsContact NH1-O 3.1Å; R291-F864 HydrophobicContact CG-CZ 4.38Å; R291-F864 VanDerWaalsContact NE-CE2 3.34Å; R291-F864 VanDerWaalsContact NH2-CE2 3.34Å
292	I	98.4	Very high	97.9	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.	I	π-helix	trans	-124.4	-65.1	-178.3	-54	-65.2	0	0	0	110.8	V271 I273 I288 L294 P295 L296 I390 C393 I394 L404	V271-I292 HydrophobicContact CG1-CG2 4.15Å; I273-I292 HydrophobicContact CD1-CB 3.98Å; I273-I292 HydrophobicContact CD1-CG2 3.62Å; I273-I292 HydrophobicContact CG1-CG2 4.45Å; I288-I292 WeakPolarHBondContact O-CB 3.47Å; I288-I292 PolarHBondContact O-N 2.88Å; I292-L294 PolarHBondContact O-N 2.73Å; I292-P295 WeakPolarHBondContact O-CD 3.24Å; I292-L296 HydrophobicContact CG2-CD1 3.89Å; I292-L296 HydrophobicContact CG2-CG 4.35Å; I292-L296 WeakPolarHBondContact O-CB 3.45Å; I292-L296 VanDerWaalsContact O-CG 3.23Å; I292-L296 WeakPolarHBondContact O-CG 3.48Å; I292-L296 PolarHBondContact O-N 2.9Å; I292-I390 HydrophobicContact CD1-CG2 4.35Å; I292-I390 HydrophobicContact CG1-CG1 4.44Å; I292-C393 HydrophobicContact CD1-CB 3.93Å; I292-C393 HydrophobicContact CG1-CB 4.48Å; I292-I394 HydrophobicContact CD1-CG1 3.92Å; I292-L404 HydrophobicContact CD1-CD2 4.21Å
293	V	98.8	Very high	97.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.033	C	C	.	.	I	π-helix	trans	-59.2	-52	-167.4	-173.4	0	0	0	0	112.2	V216 I239 I241 I273 I288 F289 A297 L336	V216-V293 HydrophobicContact CG1-CG1 4.48Å; V216-V293 HydrophobicContact CG2-CG1 4.28Å; I239-V293 HydrophobicContact CD1-CG1 4.39Å; I239-V293 HydrophobicContact CG2-CG2 4.32Å; I241-V293 HydrophobicContact CD1-CG2 4.06Å; I273-V293 HydrophobicContact CD1-CG2 4.32Å; I288-V293 HydrophobicContact CG2-CG2 4.18Å; I288-V293 PolarHBondContact O-N 3.27Å; F289-V293 HydrophobicContact CD1-CB 4.16Å; F289-V293 HydrophobicContact CD1-CG1 4.18Å; F289-V293 HydrophobicContact CD2-CB 4.45Å; F289-V293 HydrophobicContact CD2-CG2 3.97Å; F289-V293 HydrophobicContact CE1-CB 4.49Å; F289-V293 HydrophobicContact CE1-CG1 4.07Å; F289-V293 HydrophobicContact CE2-CG2 4.21Å; F289-V293 HydrophobicContact CG-CB 4.14Å; F289-V293 HydrophobicContact CG-CG2 4.15Å; F289-V293 HydrophobicContact CZ-CG1 4.36Å; F289-V293 PolarHBondContact O-N 2.9Å; V293-A297 WeakPolarHBondContact O-CB 3.45Å; V293-A297 PolarHBondContact O-N 3.41Å; V293-L336 HydrophobicContact CG1-CD2 4.41Å
294	L	98.6	Very high	97.8	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.005	3%	0.031	C	C	.	.	H	α-helix	trans	-68.3	-48.4	-178.9	-59.7	-179.8	0	0	0	112.2	F289 I292 L296 A297 Y298 K335 F339 T710	F289-L294 HydrophobicContact CD1-CD2 4.4Å; F289-L294 WeakPolarHBondContact O-CB 3.43Å; F289-L294 WeakPolarHBondContact O-CG 3.37Å; F289-L294 PolarHBondContact O-N 3.44Å; I292-L294 PolarHBondContact O-N 2.73Å; L294-L296 VanDerWaalsContact C-N 3.27Å; L294-L296 PolarHBondContact O-N 2.82Å; L294-A297 PolarHBondContact O-N 3.27Å; L294-Y298 HydrophobicContact CB-CD2 4.25Å; L294-Y298 HydrophobicContact CB-CE2 4.29Å; L294-Y298 WeakPolarHBondContact O-CD2 3.19Å; L294-Y298 PolarHBondContact O-N 2.83Å; L294-K335 HydrophobicContact CD1-CB 4.32Å; L294-K335 HydrophobicContact CD1-CD 4.12Å; L294-K335 HydrophobicContact CD1-CG 4.32Å; L294-K335 HydrophobicContact CD2-CB 3.92Å; L294-F339 HydrophobicContact CD2-CE2 3.81Å; L294-F339 HydrophobicContact CD2-CZ 3.83Å; L294-T710 HydrophobicContact CB-CG2 4.1Å; L294-T710 HydrophobicContact CD1-CG2 4.09Å
295	P	96.8	Very high	97.8	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-50	-46.8	174.3	-34.4	39.9	0	0	0	113.6	H290 I292 E299 F403 L404	H290-P295 WeakPolarHBondContact O-CD 3.33Å; H290-P295 VanDerWaalsContact O-CG 3.25Å; H290-P295 WeakPolarHBondContact O-CG 3.45Å; I292-P295 WeakPolarHBondContact O-CD 3.24Å; P295-E299 PolarHBondContact O-N 2.78Å; P295-E299 VanDerWaalsContact O-N 3.13Å; P295-F403 HydrophobicContact CB-CB 3.92Å; P295-F403 HydrophobicContact CB-CD2 4.45Å; P295-F403 VanDerWaalsContact O-CD2 3.23Å; P295-F403 WeakPolarHBondContact O-CD2 3.18Å; P295-L404 HydrophobicContact CB-CD2 4.37Å
296	L	97.8	Very high	97.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-69.4	-42.5	179.2	-61.2	-167.6	0	0	0	112.4	L237 I239 V271 I292 L294 Y298 E299 F300 L397 W401 L404	L237-L296 HydrophobicContact CD2-CB 4.14Å; I239-L296 HydrophobicContact CD1-CB 4.15Å; I239-L296 HydrophobicContact CD1-CD1 4.28Å; V271-L296 HydrophobicContact CG1-CD1 4.26Å; V271-L296 HydrophobicContact CG2-CD1 3.72Å; I292-L296 HydrophobicContact CG2-CD1 3.89Å; I292-L296 HydrophobicContact CG2-CG 4.35Å; I292-L296 WeakPolarHBondContact O-CB 3.45Å; I292-L296 VanDerWaalsContact O-CG 3.23Å; I292-L296 WeakPolarHBondContact O-CG 3.48Å; I292-L296 PolarHBondContact O-N 2.9Å; L294-L296 VanDerWaalsContact C-N 3.27Å; L294-L296 PolarHBondContact O-N 2.82Å; L296-Y298 PolarHBondContact O-N 2.9Å; L296-E299 PolarHBondContact O-N 3.22Å; L296-F300 WeakPolarHBondContact O-CB 3.3Å; L296-F300 PolarHBondContact O-N 2.9Å; L296-L397 HydrophobicContact CD1-CD1 4.32Å; L296-W401 HydrophobicContact CD2-CB 3.39Å; L296-W401 HydrophobicContact CD2-CD2 3.56Å; L296-W401 HydrophobicContact CD2-CE3 4.15Å; L296-W401 HydrophobicContact CD2-CG 3.2Å; L296-L404 HydrophobicContact CD2-CD1 4.09Å; L296-L404 HydrophobicContact CD2-CD2 4.36Å; L296-L404 HydrophobicContact CD2-CG 4.15Å
297	A	98.1	Very high	97.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.7	-40	178.5	0	0	0	0	0	112.6	L214 V293 L294 D301 P302 F339	L214-A297 HydrophobicContact CD2-CB 3.61Å; V293-A297 WeakPolarHBondContact O-CB 3.45Å; V293-A297 PolarHBondContact O-N 3.41Å; L294-A297 PolarHBondContact O-N 3.27Å; A297-D301 PolarHBondContact O-N 3.04Å; A297-P302 VanDerWaalsContact O-CD 3.26Å; A297-P302 WeakPolarHBondContact O-CD 3.43Å; A297-F339 HydrophobicContact CB-CD1 4.31Å; A297-F339 HydrophobicContact CB-CD2 4.09Å; A297-F339 HydrophobicContact CB-CE1 3.81Å; A297-F339 HydrophobicContact CB-CE2 3.57Å; A297-F339 HydrophobicContact CB-CG 4.45Å; A297-F339 HydrophobicContact CB-CZ 3.41Å; A297-F339 VanDerWaalsContact CB-CZ 3.41Å
298	Y	97.3	Very high	97.9	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.016	3%	0.03	C	C	.	.	H	α-helix	trans	-64.7	-50	174.7	-84.6	-72.4	0	0	0	111.6	L294 L296 F300 D301 F339 I706 T710 H751 L833 L837	L294-Y298 HydrophobicContact CB-CD2 4.25Å; L294-Y298 HydrophobicContact CB-CE2 4.29Å; L294-Y298 WeakPolarHBondContact O-CD2 3.19Å; L294-Y298 PolarHBondContact O-N 2.83Å; L296-Y298 PolarHBondContact O-N 2.9Å; Y298-F300 VanDerWaalsContact C-N 3.25Å; Y298-F300 PolarHBondContact O-N 3.4Å; Y298-D301 PolarHBondContact O-N 3.5Å; Y298-F339 HydrophobicContact CD1-CD1 4.47Å; Y298-F339 AromaticContact CD1-CE1 3.67Å; Y298-F339 HydrophobicContact CD1-CE1 3.67Å; Y298-F339 AromaticContact CD2-CE1 3.76Å; Y298-F339 HydrophobicContact CD2-CE1 3.76Å; Y298-F339 AromaticContact CD2-CZ 3.87Å; Y298-F339 HydrophobicContact CD2-CZ 3.87Å; Y298-F339 AromaticContact CE1-CE1 3.83Å; Y298-F339 HydrophobicContact CE1-CE1 3.83Å; Y298-F339 AromaticContact CE2-CE1 3.89Å; Y298-F339 HydrophobicContact CE2-CE1 3.89Å; Y298-F339 AromaticContact CE2-CZ 3.84Å; Y298-F339 HydrophobicContact CE2-CZ 3.84Å; Y298-F339 AromaticContact CG-CE1 3.62Å; Y298-F339 HydrophobicContact CG-CE1 3.62Å; Y298-F339 HydrophobicContact CG-CZ 4.21Å; Y298-F339 AromaticContact CZ-CE1 3.92Å; Y298-I706 HydrophobicContact CD1-CD1 4.34Å; Y298-I706 HydrophobicContact CD1-CG1 4.36Å; Y298-I706 HydrophobicContact CD1-CG2 3.79Å; Y298-I706 HydrophobicContact CD2-CG2 3.4Å; Y298-I706 VanDerWaalsContact CD2-CG2 3.4Å; Y298-I706 HydrophobicContact CE1-CD1 3.8Å; Y298-I706 HydrophobicContact CE1-CG1 4.31Å; Y298-I706 HydrophobicContact CE1-CG2 4.02Å; Y298-I706 HydrophobicContact CE2-CG2 3.69Å; Y298-I706 HydrophobicContact CG-CG2 3.49Å; Y298-I706 VanDerWaalsContact CG-CG2 3.49Å; Y298-T710 HydrophobicContact CD2-CG2 4.44Å; Y298-T710 HydrophobicContact CE2-CG2 4.02Å; Y298-H751 HydrophobicContact CE1-CB 4.4Å; Y298-H751 AromaticContact CE1-ND1 3.43Å; Y298-H751 WeakPolarHBondContact CE1-ND1 3.34Å; Y298-H751 AromaticContact CZ-ND1 3.98Å; Y298-L833 HydrophobicContact CD1-CD1 3.7Å; Y298-L833 HydrophobicContact CE1-CD1 4.06Å; Y298-L837 WeakPolarHBondContact O-CD1 3.48Å
299	E	95.6	Very high	97.9	Very high	44 Å²	44	6.2 Å²	6.2	21%	0.206	3%	0.03	C	C	.	.	H	α-helix	trans	-64.2	-31.7	179.7	-172.2	171.1	178.3	0	0	112.2	P295 L296 W401 K402 F403	P295-E299 PolarHBondContact O-N 2.78Å; P295-E299 VanDerWaalsContact O-N 3.13Å; L296-E299 PolarHBondContact O-N 3.22Å; E299-W401 HydrophobicContact CB-CE3 4.03Å; E299-W401 HydrophobicContact CB-CZ3 4.33Å; E299-W401 HydrophobicContact CG-CE3 3.87Å; E299-W401 HydrophobicContact CG-CZ3 4.26Å; E299-W401 VanDerWaalsContact OE2-C 3.22Å; E299-W401 VanDerWaalsContact OE2-CA 3.27Å; E299-W401 WeakPolarHBondContact OE2-CA 3.36Å; E299-K402 VanDerWaalsContact CD-N 3.26Å; E299-K402 PolarHBondContact OE1-N 3.03Å; E299-K402 PolarHBondContact OE2-N 3.17Å; E299-F403 HydrophobicContact CB-CD1 4.37Å; E299-F403 HydrophobicContact CB-CD2 4.24Å; E299-F403 HydrophobicContact CB-CG 4.13Å; E299-F403 PolarHBondContact OE2-N 3.48Å
300	F	96	Very high	97.9	Very high	11 Å²	11	6.2 Å²	6.2	5%	0.048	3%	0.03	C	C	.	.	H	α-helix	trans	-76.6	-29.5	176.5	-176.3	-115.1	0	0	0	113.9	R212 I213 L214 L237 F269 L296 Y298 P302 W401	R212-F300 HydrophobicContact CB-CD1 4.47Å; R212-F300 HydrophobicContact CB-CE1 3.76Å; R212-F300 HydrophobicContact CB-CE2 4.13Å; R212-F300 HydrophobicContact CB-CZ 3.58Å; R212-F300 VanDerWaalsContact CD-O 3.22Å; R212-F300 WeakPolarHBondContact CD-O 3.47Å; R212-F300 HydrophobicContact CG-CE2 4Å; R212-F300 HydrophobicContact CG-CZ 3.94Å; R212-F300 PolarHBondContact NE-O 2.97Å; I213-F300 WeakPolarHBondContact O-CE1 3.16Å; L214-F300 HydrophobicContact CB-CD1 4.4Å; L214-F300 HydrophobicContact CB-CE1 4.4Å; L237-F300 HydrophobicContact CB-CD1 3.78Å; L237-F300 HydrophobicContact CB-CD2 4.09Å; L237-F300 HydrophobicContact CB-CE1 3.71Å; L237-F300 HydrophobicContact CB-CE2 4.03Å; L237-F300 HydrophobicContact CB-CG 3.96Å; L237-F300 HydrophobicContact CB-CZ 3.82Å; L237-F300 HydrophobicContact CD2-CB 3.64Å; L237-F300 HydrophobicContact CD2-CD1 3.98Å; L237-F300 HydrophobicContact CD2-CD2 4.35Å; L237-F300 HydrophobicContact CD2-CG 3.74Å; F269-F300 HydrophobicContact CD1-CD2 4.32Å; F269-F300 AromaticContact CD1-CE2 3.97Å; F269-F300 HydrophobicContact CD1-CE2 3.97Å; F269-F300 AromaticContact CE1-CD2 3.92Å; F269-F300 HydrophobicContact CE1-CD2 3.92Å; F269-F300 AromaticContact CE1-CE2 3.69Å; F269-F300 HydrophobicContact CE1-CE2 3.69Å; L296-F300 WeakPolarHBondContact O-CB 3.3Å; L296-F300 PolarHBondContact O-N 2.9Å; Y298-F300 VanDerWaalsContact C-N 3.25Å; Y298-F300 PolarHBondContact O-N 3.4Å; F300-P302 HydrophobicContact CD1-CB 3.88Å; F300-P302 HydrophobicContact CD1-CG 4.42Å; F300-P302 HydrophobicContact CE1-CB 3.98Å; F300-W401 HydrophobicContact CB-CH2 4.08Å; F300-W401 HydrophobicContact CB-CZ3 4Å; F300-W401 HydrophobicContact CD2-CH2 4.01Å; F300-W401 HydrophobicContact CG-CH2 4.42Å
301	D	95.5	Very high	97.9	Very high	27 Å²	27	6.2 Å²	6.2	14%	0.144	3%	0.03	C	C	.	.			trans	48.6	66.8	178.7	-179	28.7	0	0	0	113.1	R212 A297 Y298 R832	R212-D301 PolarHBondContact NE-O 3.04Å; R212-D301 PolarHBondContact NH2-O 3.21Å; A297-D301 PolarHBondContact O-N 3.04Å; Y298-D301 PolarHBondContact O-N 3.5Å; D301-R832 IonicContact OD1-CZ 3.34Å; D301-R832 IonicContact OD1-NE 3.78Å; D301-R832 PolarHBondContact OD1-NE 2.78Å; D301-R832 IonicContact OD1-NH2 2.83Å; D301-R832 IonicContact OD2-CZ 2.73Å; D301-R832 IonicContact OD2-NE 2.67Å; D301-R832 PolarHBondContact OD2-NE 3.23Å; D301-R832 IonicContact OD2-NH2 3.81Å; D301-R832 PolarHBondContact OD2-NH2 3.42Å
302	P	97.3	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.			trans	-69.4	154.3	-173.5	30	-36	0	0	0	112.8	R212 L214 A297 F300 V305 F339 A340	R212-P302 CarbonylContact O-C 3.59Å; R212-P302 WeakPolarHBondContact O-CA 3.26Å; L214-P302 HydrophobicContact CB-CB 3.7Å; L214-P302 HydrophobicContact CB-CG 3.86Å; L214-P302 HydrophobicContact CD2-CG 4.21Å; A297-P302 VanDerWaalsContact O-CD 3.26Å; A297-P302 WeakPolarHBondContact O-CD 3.43Å; F300-P302 HydrophobicContact CD1-CB 3.88Å; F300-P302 HydrophobicContact CD1-CG 4.42Å; F300-P302 HydrophobicContact CE1-CB 3.98Å; P302-V305 HydrophobicContact CG-CG2 4.02Å; P302-F339 HydrophobicContact CG-CB 3.77Å; P302-F339 HydrophobicContact CG-CG 4.32Å; P302-A340 VanDerWaalsContact O-CA 3.27Å; P302-A340 WeakPolarHBondContact O-CA 3.43Å; P302-A340 WeakPolarHBondContact O-CB 3.39Å; P302-A340 PolarHBondContact O-N 3.34Å
303	E	97.1	Very high	97.8	Very high	39 Å²	39	6 Å²	6	18%	0.182	3%	0.029	C	C	.	.	S	Bend	trans	-94.3	-19.3	174.2	-70.6	160.2	175.9	0	0	112.6	Y210 N211 R212 A340 R832	Y210-E303 HydrophobicContact CD1-CB 3.65Å; Y210-E303 HydrophobicContact CE1-CB 3.99Å; Y210-E303 WeakPolarHBondContact CE1-O 3.47Å; N211-E303 PolarHBondContact N-OE2 2.9Å; R212-E303 IonicContact CZ-OE1 2.64Å; R212-E303 VanDerWaalsContact CZ-OE1 3.3Å; R212-E303 PolarHBondContact N-OE2 3.47Å; R212-E303 IonicContact NH1-OE1 2.67Å; R212-E303 PolarHBondContact NH1-OE1 3.48Å; R212-E303 VanDerWaalsContact NH2-CD 3.32Å; R212-E303 VanDerWaalsContact NH2-CG 3.3Å; R212-E303 IonicContact NH2-OE1 3.02Å; R212-E303 PolarHBondContact NH2-OE1 2.91Å; R212-E303 PolarHBondContact O-N 2.82Å; E303-A340 VanDerWaalsContact C-CB 3.44Å; E303-A340 WeakPolarHBondContact O-CB 3.4Å; E303-R832 IonicContact OE1-NH1 3.84Å
304	L	98.6	Very high	97.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	138.2	176.5	-179.9	62.5	0	0	0	108.9	V161 I164 A204 Y210 I213 L214 L306 K343 I345	V161-L304 HydrophobicContact CG2-CD2 4.39Å; I164-L304 HydrophobicContact CG2-CD1 4.42Å; A204-L304 HydrophobicContact CB-CD2 3.99Å; Y210-L304 HydrophobicContact CD1-CB 3.75Å; Y210-L304 HydrophobicContact CD1-CD2 4.49Å; Y210-L304 HydrophobicContact CE1-CB 3.66Å; Y210-L304 HydrophobicContact CE1-CD2 4.4Å; I213-L304 WeakPolarHBondContact CA-O 3.34Å; I213-L304 HydrophobicContact CD1-CD2 4.5Å; I213-L304 HydrophobicContact CG1-CB 4.44Å; L214-L304 PolarHBondContact N-O 3.44Å; L304-L306 HydrophobicContact CD1-CD2 4.31Å; L304-L306 HydrophobicContact CD2-CD2 3.9Å; L304-L306 HydrophobicContact CD2-CG 4.37Å; L304-L306 HydrophobicContact CG-CD2 3.92Å; L304-L306 HydrophobicContact CG-CG 4.33Å; L304-K343 HydrophobicContact CD1-CB 4.25Å; L304-I345 HydrophobicContact CD1-CD1 4.22Å; L304-I345 HydrophobicContact CD1-CG1 4.48Å
305	V	98.9	Very high	97.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.6	172.4	-174.9	0	0	0	0	109	L214 P302 V307 F339 A340 K343 V344 I345	L214-V305 HydrophobicContact CB-CG2 4.35Å; L214-V305 HydrophobicContact CD2-CG1 4.15Å; L214-V305 HydrophobicContact CD2-CG2 4.24Å; L214-V305 HydrophobicContact CG-CG1 4.32Å; L214-V305 CarbonylContact O-C 3.53Å; L214-V305 WeakPolarHBondContact O-CA 3.48Å; P302-V305 HydrophobicContact CG-CG2 4.02Å; V305-V307 HydrophobicContact CG1-CG2 4.14Å; V305-F339 HydrophobicContact CG2-CB 3.93Å; V305-A340 HydrophobicContact CG2-CB 4.23Å; V305-K343 PolarHBondContact N-O 3.12Å; V305-V344 HydrophobicContact CB-CG1 4.44Å; V305-V344 HydrophobicContact CB-CG2 4.17Å; V305-V344 HydrophobicContact CG1-CG1 4.41Å; V305-V344 CarbonylContact O-C 3.5Å; V305-V344 WeakPolarHBondContact O-CA 3.17Å; V305-I345 PolarHBondContact O-N 2.84Å
306	L	98.9	Very high	97.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134	173.7	-56.6	-177.7	0	0	0	108.6	W157 V197 A200 A201 I213 L214 I215 V216 L304 I345	W157-L306 HydrophobicContact CE3-CD2 4.47Å; W157-L306 HydrophobicContact CZ3-CB 4.09Å; W157-L306 HydrophobicContact CZ3-CD2 4.13Å; V197-L306 HydrophobicContact CG2-CB 3.94Å; V197-L306 HydrophobicContact CG2-CD1 4Å; A200-L306 HydrophobicContact CB-CD1 4.41Å; A201-L306 HydrophobicContact CB-CD1 3.85Å; I213-L306 HydrophobicContact CG2-CD1 3.94Å; I213-L306 HydrophobicContact CG2-CG 4Å; L214-L306 PolarHBondContact O-N 2.94Å; I215-L306 CarbonylContact C-O 3.58Å; I215-L306 VanDerWaalsContact CA-O 3.29Å; I215-L306 WeakPolarHBondContact CA-O 3.29Å; I215-L306 HydrophobicContact CG1-CB 4.23Å; I215-L306 HydrophobicContact CG1-CD1 4.37Å; V216-L306 PolarHBondContact N-O 3.19Å; L304-L306 HydrophobicContact CD1-CD2 4.31Å; L304-L306 HydrophobicContact CD2-CD2 3.9Å; L304-L306 HydrophobicContact CD2-CG 4.37Å; L304-L306 HydrophobicContact CG-CD2 3.92Å; L304-L306 HydrophobicContact CG-CG 4.33Å; L306-I345 CarbonylContact C-O 3.53Å; L306-I345 WeakPolarHBondContact CA-O 3.26Å; L306-I345 HydrophobicContact CD2-CB 3.86Å; L306-I345 HydrophobicContact CD2-CD1 3.81Å; L306-I345 HydrophobicContact CD2-CG1 4.19Å
307	V	98.9	Very high	97.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.9	-178.5	-173	0	0	0	0	109.8	W157 V216 W218 V305 A309 L336 V344 I345 V346 G347	W157-V307 WeakPolarHBondContact CH2-O 3.25Å; V216-V307 CarbonylContact O-C 3.5Å; V216-V307 VanDerWaalsContact O-CA 3.25Å; V216-V307 WeakPolarHBondContact O-CA 3.36Å; V216-V307 WeakPolarHBondContact O-CG1 3.21Å; W218-V307 HydrophobicContact CD2-CG1 3.84Å; W218-V307 HydrophobicContact CE3-CG1 3.81Å; W218-V307 HydrophobicContact CH2-CG1 3.6Å; W218-V307 HydrophobicContact CZ2-CG1 3.61Å; W218-V307 HydrophobicContact CZ3-CG1 3.7Å; V305-V307 HydrophobicContact CG1-CG2 4.14Å; V307-A309 HydrophobicContact CG1-CB 4.24Å; V307-A309 PolarHBondContact O-N 3.04Å; V307-L336 HydrophobicContact CG2-CD1 3.67Å; V307-V344 HydrophobicContact CG2-CG1 4.11Å; V307-I345 PolarHBondContact N-O 3.12Å; V307-V346 HydrophobicContact CB-CB 4.43Å; V307-V346 HydrophobicContact CB-CG1 4.27Å; V307-V346 HydrophobicContact CB-CG2 4.18Å; V307-V346 HydrophobicContact CG1-CG1 4.4Å; V307-V346 HydrophobicContact CG2-CG2 4.3Å; V307-G347 PolarHBondContact O-N 2.93Å
308	S	98.8	Very high	96.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	99.2	166.6	-84.9	0	0	0	0	107.3	V216 W218 G310 E349	V216-S308 PolarHBondContact O-N 3.12Å; W218-S308 PolarHBondContact N-O 3.34Å; S308-G310 PolarHBondContact O-N 2.88Å; S308-E349 PolarHBondContact OG-OE1 2.73Å
309	A	98.7	Very high	96.6	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	82.5	-168.2	0	0	0	0	0	112.2	W218 V307 Y311 V346 G347 E349	W218-A309 HydrophobicContact CZ2-CB 3.92Å; W218-A309 VanDerWaalsContact NE1-CA 3.27Å; V307-A309 HydrophobicContact CG1-CB 4.24Å; V307-A309 PolarHBondContact O-N 3.04Å; A309-Y311 HydrophobicContact CB-CE2 4.11Å; A309-Y311 WeakPolarHBondContact O-CD2 3.37Å; A309-Y311 WeakPolarHBondContact O-CE2 3.27Å; A309-V346 HydrophobicContact CB-CG1 3.41Å; A309-V346 VanDerWaalsContact CB-CG1 3.41Å; A309-G347 WeakPolarHBondContact CA-O 3.47Å; A309-G347 WeakPolarHBondContact CB-O 3.28Å; A309-G347 PolarHBondContact N-O 2.8Å; A309-E349 PolarHBondContact O-N 3.06Å
310	G	98.2	Very high	96.4	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.037	C	C	.	.			trans	-80.3	131.3	163.9	0	0	0	0	0	111.4	W218 D219 S308 G350	W218-G310 VanDerWaalsContact CD1-O 3.25Å; D219-G310 VanDerWaalsContact OD2-CA 3.22Å; D219-G310 WeakPolarHBondContact OD2-CA 3.38Å; S308-G310 PolarHBondContact O-N 2.88Å; G310-G350 WeakPolarHBondContact CA-O 3.5Å
311	Y	98.6	Very high	96.3	Very high	1 Å²	1	9.6 Å²	9.6	0%	0.004	5%	0.052	C	C	.	.			trans	-104.2	13.6	177.5	-61.5	-80.1	0	0	0	112.4	A309 S313 S314 Y329 L348 G350 L357 V361 T364	A309-Y311 HydrophobicContact CB-CE2 4.11Å; A309-Y311 WeakPolarHBondContact O-CD2 3.37Å; A309-Y311 WeakPolarHBondContact O-CE2 3.27Å; Y311-S313 VanDerWaalsContact C-N 3.27Å; Y311-S313 PolarHBondContact O-N 2.85Å; Y311-S314 WeakPolarHBondContact O-CB 3.44Å; Y311-S314 PolarHBondContact O-N 2.83Å; Y311-S314 VanDerWaalsContact O-N 3.16Å; Y311-S314 PolarHBondContact O-OG 2.88Å; Y311-Y329 AromaticContact CD1-CD1 3.77Å; Y311-Y329 HydrophobicContact CD1-CD1 3.77Å; Y311-Y329 AromaticContact CD1-CD2 3.9Å; Y311-Y329 HydrophobicContact CD1-CD2 3.9Å; Y311-Y329 AromaticContact CD1-CE1 3.73Å; Y311-Y329 HydrophobicContact CD1-CE1 3.73Å; Y311-Y329 AromaticContact CD1-CE2 3.86Å; Y311-Y329 HydrophobicContact CD1-CE2 3.86Å; Y311-Y329 AromaticContact CD1-CG 3.85Å; Y311-Y329 HydrophobicContact CD1-CG 3.85Å; Y311-Y329 AromaticContact CD1-CZ 3.77Å; Y311-Y329 AromaticContact CE1-CD1 3.75Å; Y311-Y329 HydrophobicContact CE1-CD1 3.75Å; Y311-Y329 HydrophobicContact CE1-CD2 4.16Å; Y311-Y329 HydrophobicContact CE1-CE1 4.18Å; Y311-Y329 AromaticContact CE1-CG 3.73Å; Y311-Y329 HydrophobicContact CE1-CG 3.73Å; Y311-L348 HydrophobicContact CD2-CD1 3.71Å; Y311-L348 HydrophobicContact CE2-CD1 3.92Å; Y311-G350 PolarHBondContact N-O 2.96Å; Y311-L357 HydrophobicContact CD2-CD1 3.6Å; Y311-L357 HydrophobicContact CG-CD1 4.05Å; Y311-V361 HydrophobicContact CD2-CG2 3.89Å; Y311-V361 HydrophobicContact CE2-CG2 3.39Å; Y311-T364 WeakPolarHBondContact CE1-OG1 3.34Å; Y311-T364 VanDerWaalsContact OH-CB 3.27Å; Y311-T364 WeakPolarHBondContact OH-CB 3.47Å; Y311-T364 WeakPolarHBondContact OH-CG2 3.32Å; Y311-T364 PolarHBondContact OH-OG1 2.88Å
312	D	97.2	Very high	96.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-7.7	177.1	44.5	11.6	0	0	0	114.3	V220 H221 S314 C317 G320 G350 Y352	V220-D312 HydrophobicContact CG1-CB 3.9Å; V220-D312 WeakPolarHBondContact CG1-OD1 3.29Å; V220-D312 PolarHBondContact N-OD1 2.74Å; H221-D312 IonicContact CE1-OD2 3.58Å; H221-D312 PolarHBondContact CE1-OD2 2.87Å; H221-D312 VanDerWaalsContact CE1-OD2 3.31Å; H221-D312 IonicContact ND1-OD2 3.82Å; H221-D312 PolarHBondContact ND1-OD2 2.77Å; D312-S314 PolarHBondContact O-N 3Å; D312-C317 VanDerWaalsContact CA-SG 3.55Å; D312-C317 HydrophobicContact CB-CB 4.36Å; D312-C317 WeakPolarHBondContact CB-SG 3.39Å; D312-C317 WeakPolarHBondContact O-CB 3.27Å; D312-G320 WeakPolarHBondContact O-CA 3.43Å; D312-G350 WeakPolarHBondContact OD2-CA 3.36Å; D312-Y352 HydrophobicContact CB-CD2 4.06Å; D312-Y352 HydrophobicContact CB-CE2 4.06Å; D312-Y352 WeakPolarHBondContact OD2-CE2 3.48Å
313	S	97.8	Very high	96.4	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-10.7	162.8	-61.6	0	0	0	0	112.8	V220 Y285 Y311 L322 L324	V220-S313 WeakPolarHBondContact CA-OG 3.5Å; V220-S313 VanDerWaalsContact CB-OG 3.29Å; V220-S313 WeakPolarHBondContact CB-OG 3.46Å; Y285-S313 PolarHBondContact OH-OG 2.85Å; Y311-S313 VanDerWaalsContact C-N 3.27Å; Y311-S313 PolarHBondContact O-N 2.85Å; S313-L322 VanDerWaalsContact O-CB 3.31Å; S313-L322 WeakPolarHBondContact O-CB 3.37Å; S313-L324 WeakPolarHBondContact O-CB 3.43Å; S313-L324 PolarHBondContact O-N 3.04Å
314	S	97.1	Very high	96.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-70.2	149.1	179.7	-49.8	0	0	0	0	112.1	Y311 D312 G316 C317 L324 Y329 S360	Y311-S314 WeakPolarHBondContact O-CB 3.44Å; Y311-S314 PolarHBondContact O-N 2.83Å; Y311-S314 VanDerWaalsContact O-N 3.16Å; Y311-S314 PolarHBondContact O-OG 2.88Å; D312-S314 PolarHBondContact O-N 3Å; S314-G316 PolarHBondContact O-N 3.02Å; S314-C317 WeakPolarHBondContact O-CB 3.34Å; S314-C317 PolarHBondContact O-N 3.17Å; S314-C317 VanDerWaalsContact O-N 3.15Å; S314-L324 WeakPolarHBondContact CA-O 3.1Å; S314-Y329 PolarHBondContact N-OH 3.11Å; S314-Y329 WeakPolarHBondContact OG-CE2 3.47Å; S314-Y329 PolarHBondContact OG-OH 2.82Å; S314-S360 PolarHBondContact OG-OG 3.34Å
315	F	95.6	Very high	96.4	Very high	4 Å²	4	9.2 Å²	9.2	2%	0.018	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	143.9	174.3	82.3	-88.1	0	0	0	111.4	C317 L322 L324 P326 T356 I450 R453 F454 L457	F315-C317 PolarHBondContact O-N 3.35Å; F315-L322 WeakPolarHBondContact CA-O 3.47Å; F315-L324 WeakPolarHBondContact CD1-O 3.28Å; F315-L324 PolarHBondContact N-O 2.66Å; F315-P326 HydrophobicContact CE1-CG 4.17Å; F315-T356 HydrophobicContact CD1-CG2 4.38Å; F315-T356 HydrophobicContact CE1-CG2 3.83Å; F315-T356 HydrophobicContact CE2-CG2 4Å; F315-T356 HydrophobicContact CZ-CG2 3.6Å; F315-T356 WeakPolarHBondContact O-CG2 3.39Å; F315-T356 PolarHBondContact O-OG1 3.26Å; F315-I450 HydrophobicContact CD2-CG2 4.24Å; F315-I450 HydrophobicContact CE2-CG2 3.95Å; F315-R453 HydrophobicContact CD2-CB 4.38Å; F315-R453 HydrophobicContact CD2-CG 4Å; F315-R453 HydrophobicContact CE2-CB 3.91Å; F315-R453 HydrophobicContact CE2-CG 3.75Å; F315-R453 HydrophobicContact CG-CG 4.49Å; F315-R453 HydrophobicContact CZ-CB 4.46Å; F315-R453 HydrophobicContact CZ-CG 4.04Å; F315-F454 HydrophobicContact CE2-CB 4.15Å; F315-F454 HydrophobicContact CZ-CB 3.82Å; F315-F454 HydrophobicContact CZ-CD2 4.03Å; F315-F454 HydrophobicContact CZ-CG 4.44Å; F315-L457 HydrophobicContact CD1-CD1 3.89Å; F315-L457 HydrophobicContact CE1-CD1 3.27Å; F315-L457 HydrophobicContact CZ-CD1 3.81Å
316	G	93	Very high	96.4	Very high	12 Å²	12	9.4 Å²	9.4	12%	0.124	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	1.6	-178.3	0	0	0	0	0	115	S314 Y353 H442	S314-G316 PolarHBondContact O-N 3.02Å; G316-Y353 VanDerWaalsContact O-CB 3.31Å; G316-Y353 WeakPolarHBondContact O-CB 3.45Å; G316-Y353 WeakPolarHBondContact O-CD2 3.41Å; G316-Y353 VanDerWaalsContact O-CG 3.28Å; G316-H442 PolarHBondContact O-CE1 2.98Å
317	C	94	Very high	96.3	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.014	5%	0.053	C	C	.	.			trans	-67.9	125.2	165.7	-175.8	0	0	0	0	110.1	D312 S314 F315 V319 Q321	D312-C317 VanDerWaalsContact CA-SG 3.55Å; D312-C317 HydrophobicContact CB-CB 4.36Å; D312-C317 WeakPolarHBondContact CB-SG 3.39Å; D312-C317 WeakPolarHBondContact O-CB 3.27Å; S314-C317 WeakPolarHBondContact O-CB 3.34Å; S314-C317 PolarHBondContact O-N 3.17Å; S314-C317 VanDerWaalsContact O-N 3.15Å; F315-C317 PolarHBondContact O-N 3.35Å; C317-V319 VanDerWaalsContact C-N 3.25Å; C317-V319 PolarHBondContact O-N 2.94Å; C317-Q321 PolarHBondContact O-N 2.82Å
318	P	91	Very high	96.3	Very high	11 Å²	11	9.5 Å²	9.5	7%	0.071	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.2	-177.7	24.3	-32.6	0	0	0	113.3	L72 Q321 E440	L72-P318 HydrophobicContact CD2-CG 4.06Å; P318-Q321 VanDerWaalsContact O-CG 3.3Å; P318-Q321 WeakPolarHBondContact O-CG 3.47Å; P318-Q321 PolarHBondContact O-NE2 3.01Å; P318-E440 WeakPolarHBondContact CB-O 3.39Å
319	V	90.5	Very high	96.3	Very high	28 Å²	28	9.5 Å²	9.5	17%	0.17	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-53.8	-173.8	-172	0	0	0	0	112.1	L72 H221 C317 Y352	L72-V319 HydrophobicContact CD1-CG2 3.48Å; L72-V319 VanDerWaalsContact CD1-CG2 3.48Å; H221-V319 WeakPolarHBondContact NE2-CG1 3.46Å; C317-V319 VanDerWaalsContact C-N 3.25Å; C317-V319 PolarHBondContact O-N 2.94Å; V319-Y352 HydrophobicContact CB-CD2 4.17Å; V319-Y352 HydrophobicContact CG2-CD2 3.8Å; V319-Y352 HydrophobicContact CG2-CE2 4.38Å; V319-Y352 HydrophobicContact CG2-CG 4.48Å
320	G	93.1	Very high	96.3	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-38.6	-175.7	0	0	0	0	0	113.7	R243 D312 L322	R243-G320 PolarHBondContact NH1-O 2.92Å; D312-G320 WeakPolarHBondContact O-CA 3.43Å; G320-L322 VanDerWaalsContact C-N 3.26Å; G320-L322 PolarHBondContact O-N 2.9Å
321	Q	93.2	Very high	96.3	Very high	78 Å²	78	9.6 Å²	9.6	36%	0.364	5%	0.054	S	C	.	.			trans	54.2	35.2	175.9	-55.3	175.9	-7.9	0	0	114.5	C317 P318	C317-Q321 PolarHBondContact O-N 2.82Å; P318-Q321 VanDerWaalsContact O-CG 3.3Å; P318-Q321 WeakPolarHBondContact O-CG 3.47Å; P318-Q321 PolarHBondContact O-NE2 3.01Å
322	L	97	Very high	96.3	Very high	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.054	C	C	.	.			trans	-99.5	180	169.9	-60	-171.7	0	0	0	110.9	V220 L275 I280 Y285 S313 F315 G320 L324	V220-L322 HydrophobicContact CG2-CD1 3.84Å; V220-L322 HydrophobicContact CG2-CG 4.14Å; L275-L322 HydrophobicContact CD1-CD1 4.35Å; I280-L322 HydrophobicContact CB-CD2 4.28Å; Y285-L322 HydrophobicContact CE2-CD1 4.36Å; S313-L322 VanDerWaalsContact O-CB 3.31Å; S313-L322 WeakPolarHBondContact O-CB 3.37Å; F315-L322 WeakPolarHBondContact CA-O 3.47Å; G320-L322 VanDerWaalsContact C-N 3.26Å; G320-L322 PolarHBondContact O-N 2.9Å; L322-L324 HydrophobicContact CB-CD1 4.16Å
323	N	97	Very high	96.4	Very high	56 Å²	56	9.6 Å²	9.6	30%	0.299	5%	0.054	S	C	.	.			trans	-116	20.3	-168.8	-70	-41.5	0	0	0	114.8	D279 I280	D279-N323 PolarHBondContact OD1-ND2 3.29Å; I280-N323 WeakPolarHBondContact O-CA 3.44Å; I280-N323 WeakPolarHBondContact O-CB 3.33Å; I280-N323 PolarHBondContact O-N 3.29Å
324	L	98.5	Very high	96.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-68	139.8	-177.9	-78.1	61.8	0	0	0	111.7	D282 Y285 S313 S314 F315 L322 L328	D282-L324 WeakPolarHBondContact OD1-CA 3.45Å; Y285-L324 HydrophobicContact CD1-CD2 3.72Å; Y285-L324 HydrophobicContact CD2-CD1 3.71Å; Y285-L324 HydrophobicContact CD2-CD2 3.93Å; Y285-L324 HydrophobicContact CD2-CG 4.12Å; Y285-L324 HydrophobicContact CE1-CD2 3.71Å; Y285-L324 HydrophobicContact CE2-CD1 3.66Å; Y285-L324 HydrophobicContact CE2-CD2 3.93Å; Y285-L324 HydrophobicContact CE2-CG 4.32Å; Y285-L324 HydrophobicContact CG-CD1 4.37Å; Y285-L324 HydrophobicContact CG-CD2 3.81Å; Y285-L324 HydrophobicContact CG-CG 4.28Å; S313-L324 WeakPolarHBondContact O-CB 3.43Å; S313-L324 PolarHBondContact O-N 3.04Å; S314-L324 WeakPolarHBondContact CA-O 3.1Å; F315-L324 WeakPolarHBondContact CD1-O 3.28Å; F315-L324 PolarHBondContact N-O 2.66Å; L322-L324 HydrophobicContact CB-CD1 4.16Å; L324-L328 HydrophobicContact CB-CD2 4.12Å; L324-L328 HydrophobicContact CD2-CD2 3.68Å; L324-L328 HydrophobicContact CG-CD2 3.6Å
325	S	98.3	Very high	96.5	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.007	6%	0.058	C	C	.	.			trans	-81.6	149.5	171.5	72.4	0	0	0	0	112	D282 S327 L328	D282-S325 PolarHBondContact OD1-N 3.02Å; D282-S325 PolarHBondContact OD1-OG 3.05Å; D282-S325 WeakPolarHBondContact OD2-CB 3.12Å; D282-S325 PolarHBondContact OD2-OG 3.18Å; S325-S327 PolarHBondContact O-N 3.4Å; S325-S327 PolarHBondContact OG-OG 3.21Å; S325-S327 VanDerWaalsContact OG-OG 3.12Å; S325-L328 WeakPolarHBondContact O-CB 3.22Å; S325-L328 PolarHBondContact O-N 3.24Å; S325-L328 PolarHBondContact OG-N 2.73Å
326	P	98.4	Very high	96.6	Very high	4 Å²	4	10.4 Å²	10.4	3%	0.026	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-34	171.7	-31.1	36.6	0	0	0	114.4	F315 L328 Y329 T356 E359 S360 H363	F315-P326 HydrophobicContact CE1-CG 4.17Å; P326-L328 VanDerWaalsContact C-N 3.31Å; P326-L328 PolarHBondContact O-N 3.41Å; P326-Y329 PolarHBondContact O-N 2.99Å; P326-T356 HydrophobicContact CG-CG2 4.49Å; P326-E359 HydrophobicContact CB-CB 4Å; P326-E359 HydrophobicContact CB-CG 3.84Å; P326-E359 HydrophobicContact CG-CB 4.23Å; P326-E359 HydrophobicContact CG-CG 4.26Å; P326-S360 WeakPolarHBondContact CA-OG 3.48Å; P326-S360 WeakPolarHBondContact CB-OG 3.21Å; P326-H363 VanDerWaalsContact C-CD2 3.48Å; P326-H363 WeakPolarHBondContact O-CB 3.22Å; P326-H363 PolarHBondContact O-CD2 3.24Å
327	S	97.9	Very high	96.9	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.014	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-28.3	-179.3	48	0	0	0	0	112.8	S325 Y329 A330 H331 L376	S325-S327 PolarHBondContact O-N 3.4Å; S325-S327 PolarHBondContact OG-OG 3.21Å; S325-S327 VanDerWaalsContact OG-OG 3.12Å; S327-Y329 VanDerWaalsContact C-N 3.27Å; S327-Y329 PolarHBondContact O-N 2.93Å; S327-A330 WeakPolarHBondContact O-CB 3.45Å; S327-A330 PolarHBondContact O-N 2.65Å; S327-A330 VanDerWaalsContact O-N 3.17Å; S327-H331 PolarHBondContact O-CD2 2.82Å; S327-L376 WeakPolarHBondContact OG-CD2 3.4Å
328	L	98.7	Very high	97	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-55.1	-40.9	176	178.9	67.4	0	0	0	112.6	D282 Y285 L286 L324 S325 P326 A330 H331 L332 L376	D282-L328 HydrophobicContact CB-CD1 4.12Å; D282-L328 HydrophobicContact CB-CD2 4.25Å; Y285-L328 HydrophobicContact CG-CD2 4.4Å; L286-L328 HydrophobicContact CD1-CD1 4.28Å; L286-L328 HydrophobicContact CD2-CD1 3.94Å; L286-L328 HydrophobicContact CG-CD1 3.76Å; L324-L328 HydrophobicContact CB-CD2 4.12Å; L324-L328 HydrophobicContact CD2-CD2 3.68Å; L324-L328 HydrophobicContact CG-CD2 3.6Å; S325-L328 WeakPolarHBondContact O-CB 3.22Å; S325-L328 PolarHBondContact O-N 3.24Å; S325-L328 PolarHBondContact OG-N 2.73Å; P326-L328 VanDerWaalsContact C-N 3.31Å; P326-L328 PolarHBondContact O-N 3.41Å; L328-A330 PolarHBondContact O-N 3.48Å; L328-H331 WeakPolarHBondContact O-CA 3.41Å; L328-H331 WeakPolarHBondContact O-CB 3.23Å; L328-H331 PolarHBondContact O-N 3.14Å; L328-L332 HydrophobicContact CD1-CD2 4.15Å; L328-L332 HydrophobicContact CD1-CG 4.47Å; L328-L332 HydrophobicContact CG-CD1 4.34Å; L328-L332 HydrophobicContact CG-CD2 4.3Å; L328-L332 HydrophobicContact CG-CG 4.14Å; L328-L332 PolarHBondContact O-N 3.38Å; L328-L376 HydrophobicContact CD1-CD1 4.42Å
329	Y	98.8	Very high	97.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62	-27.8	-177.3	-62.5	-82.5	0	0	0	112.8	W218 Y311 S314 P326 S327 L332 T333	W218-Y329 HydrophobicContact CZ2-CD1 4.32Å; W218-Y329 AromaticContact NE1-CD1 3.89Å; W218-Y329 AromaticContact NE1-CE1 3.97Å; Y311-Y329 AromaticContact CD1-CD1 3.77Å; Y311-Y329 HydrophobicContact CD1-CD1 3.77Å; Y311-Y329 AromaticContact CD1-CD2 3.9Å; Y311-Y329 HydrophobicContact CD1-CD2 3.9Å; Y311-Y329 AromaticContact CD1-CE1 3.73Å; Y311-Y329 HydrophobicContact CD1-CE1 3.73Å; Y311-Y329 AromaticContact CD1-CE2 3.86Å; Y311-Y329 HydrophobicContact CD1-CE2 3.86Å; Y311-Y329 AromaticContact CD1-CG 3.85Å; Y311-Y329 HydrophobicContact CD1-CG 3.85Å; Y311-Y329 AromaticContact CD1-CZ 3.77Å; Y311-Y329 AromaticContact CE1-CD1 3.75Å; Y311-Y329 HydrophobicContact CE1-CD1 3.75Å; Y311-Y329 HydrophobicContact CE1-CD2 4.16Å; Y311-Y329 HydrophobicContact CE1-CE1 4.18Å; Y311-Y329 AromaticContact CE1-CG 3.73Å; Y311-Y329 HydrophobicContact CE1-CG 3.73Å; S314-Y329 PolarHBondContact N-OH 3.11Å; S314-Y329 WeakPolarHBondContact OG-CE2 3.47Å; S314-Y329 PolarHBondContact OG-OH 2.82Å; P326-Y329 PolarHBondContact O-N 2.99Å; S327-Y329 VanDerWaalsContact C-N 3.27Å; S327-Y329 PolarHBondContact O-N 2.93Å; Y329-L332 HydrophobicContact CD1-CD1 4.45Å; Y329-L332 PolarHBondContact O-N 2.96Å; Y329-T333 VanDerWaalsContact O-CB 3.27Å; Y329-T333 WeakPolarHBondContact O-CB 3.29Å; Y329-T333 PolarHBondContact O-N 2.95Å; Y329-T333 PolarHBondContact O-OG1 2.78Å
330	A	98.4	Very high	97.5	Very high	1 Å²	1	9 Å²	9	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-62.6	-45	169.8	0	0	0	0	0	111.3	S327 L328 T333 H334 H363 A367 M373 P374	S327-A330 WeakPolarHBondContact O-CB 3.45Å; S327-A330 PolarHBondContact O-N 2.65Å; S327-A330 VanDerWaalsContact O-N 3.17Å; L328-A330 PolarHBondContact O-N 3.48Å; A330-T333 PolarHBondContact O-N 2.92Å; A330-H334 WeakPolarHBondContact O-CB 3.48Å; A330-H334 PolarHBondContact O-N 2.98Å; A330-H363 HydrophobicContact CB-CB 4.04Å; A330-H363 WeakPolarHBondContact CB-O 3.3Å; A330-A367 HydrophobicContact CB-CB 4.14Å; A330-M373 HydrophobicContact CB-SD 4.1Å; A330-M373 VanDerWaalsContact O-SD 3.33Å; A330-P374 HydrophobicContact CB-CG 3.86Å
331	H	98.7	Very high	97.6	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-65.4	-40.3	178.1	-66.6	-96.4	0	0	0	112.3	S327 L328 K335 P374 L376 Y718 T758	S327-H331 PolarHBondContact O-CD2 2.82Å; L328-H331 WeakPolarHBondContact O-CA 3.41Å; L328-H331 WeakPolarHBondContact O-CB 3.23Å; L328-H331 PolarHBondContact O-N 3.14Å; H331-K335 WeakPolarHBondContact O-CB 3.31Å; H331-K335 WeakPolarHBondContact O-CD 3.28Å; H331-K335 WeakPolarHBondContact O-CG 3.46Å; H331-K335 PolarHBondContact O-N 3.32Å; H331-K335 VanDerWaalsContact O-N 3.11Å; H331-P374 PolarHBondContact CE1-O 3.01Å; H331-P374 VanDerWaalsContact CE1-O 3.27Å; H331-P374 PolarHBondContact NE2-O 3.23Å; H331-L376 WeakPolarHBondContact NE2-CG 3.35Å; H331-Y718 AromaticContact ND1-CE1 3.87Å; H331-Y718 AromaticContact ND1-CZ 3.87Å; H331-Y718 PolarHBondContact ND1-OH 3.24Å; H331-T758 PolarHBondContact CE1-O 3.14Å; H331-T758 PolarHBondContact ND1-O 2.79Å; H331-T758 VanDerWaalsContact ND1-O 3.15Å
332	L	98.8	Very high	97.7	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62.8	-47.9	176.3	-55.7	-171.4	0	0	0	110.4	W218 Y285 F289 L328 Y329 K335 L336	W218-L332 HydrophobicContact CE3-CB 4.15Å; W218-L332 HydrophobicContact CE3-CD1 4.12Å; W218-L332 HydrophobicContact CH2-CB 4.27Å; W218-L332 HydrophobicContact CZ3-CB 3.68Å; W218-L332 HydrophobicContact CZ3-CD1 4.45Å; Y285-L332 HydrophobicContact CD1-CD1 4.2Å; F289-L332 HydrophobicContact CD1-CD2 4.05Å; F289-L332 HydrophobicContact CD2-CD2 3.64Å; F289-L332 HydrophobicContact CE1-CB 3.98Å; F289-L332 HydrophobicContact CE1-CD2 4.07Å; F289-L332 HydrophobicContact CE1-CG 4.5Å; F289-L332 HydrophobicContact CE2-CB 4.37Å; F289-L332 HydrophobicContact CE2-CD1 3.85Å; F289-L332 HydrophobicContact CE2-CD2 3.68Å; F289-L332 HydrophobicContact CE2-CG 4.15Å; F289-L332 HydrophobicContact CG-CD2 3.83Å; F289-L332 HydrophobicContact CZ-CB 3.81Å; F289-L332 HydrophobicContact CZ-CD1 4.05Å; F289-L332 HydrophobicContact CZ-CD2 3.9Å; F289-L332 HydrophobicContact CZ-CG 4.11Å; L328-L332 HydrophobicContact CD1-CD2 4.15Å; L328-L332 HydrophobicContact CD1-CG 4.47Å; L328-L332 HydrophobicContact CG-CD1 4.34Å; L328-L332 HydrophobicContact CG-CD2 4.3Å; L328-L332 HydrophobicContact CG-CG 4.14Å; L328-L332 PolarHBondContact O-N 3.38Å; Y329-L332 HydrophobicContact CD1-CD1 4.45Å; Y329-L332 PolarHBondContact O-N 2.96Å; L332-K335 PolarHBondContact O-N 3.43Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.87Å; L332-L336 VanDerWaalsContact O-N 3.16Å
333	T	98.8	Very high	97.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.1	-50.5	178.7	-56.7	0	0	0	0	111.8	W218 Y329 A330 K335 L336 M337 T364 A367 L368	W218-T333 WeakPolarHBondContact CH2-OG1 3.29Å; Y329-T333 VanDerWaalsContact O-CB 3.27Å; Y329-T333 WeakPolarHBondContact O-CB 3.29Å; Y329-T333 PolarHBondContact O-N 2.95Å; Y329-T333 PolarHBondContact O-OG1 2.78Å; A330-T333 PolarHBondContact O-N 2.92Å; T333-K335 VanDerWaalsContact C-N 3.27Å; T333-K335 PolarHBondContact O-N 2.98Å; T333-L336 PolarHBondContact O-N 3.46Å; T333-M337 HydrophobicContact CG2-SD 4.37Å; T333-M337 WeakPolarHBondContact O-CG 3.16Å; T333-M337 PolarHBondContact O-N 3.31Å; T333-T364 HydrophobicContact CG2-CG2 4.22Å; T333-T364 WeakPolarHBondContact OG1-CG2 3.3Å; T333-A367 HydrophobicContact CG2-CB 3.94Å; T333-L368 HydrophobicContact CG2-CD2 3.72Å; T333-L368 HydrophobicContact CG2-CG 3.88Å
334	H	98.1	Very high	97.8	Very high	20 Å²	20	9.5 Å²	9.5	9%	0.093	5%	0.045	C	C	.	.	H	α-helix	trans	-59.1	-39.3	178.7	179.9	100.7	0	0	0	111.9	A330 L336 M337 M373 H754 T758	A330-H334 WeakPolarHBondContact O-CB 3.48Å; A330-H334 PolarHBondContact O-N 2.98Å; H334-L336 VanDerWaalsContact C-N 3.31Å; H334-L336 PolarHBondContact O-N 3.38Å; H334-M337 WeakPolarHBondContact O-CB 3.45Å; H334-M337 PolarHBondContact O-N 3.44Å; H334-M373 HydrophobicContact CB-CE 3.73Å; H334-M373 HydrophobicContact CB-CG 4.23Å; H334-M373 HydrophobicContact CB-SD 3.32Å; H334-M373 WeakPolarHBondContact CB-SD 3.47Å; H334-H754 AromaticContact CD2-CE1 3.66Å; H334-H754 AromaticContact CD2-NE2 3.44Å; H334-H754 PolarHBondContact CD2-NE2 3.37Å; H334-H754 AromaticContact CE1-CE1 3.64Å; H334-H754 AromaticContact CE1-ND1 3.99Å; H334-H754 AromaticContact NE2-CD2 3.84Å; H334-H754 AromaticContact NE2-CE1 3.25Å; H334-H754 PolarHBondContact NE2-CE1 3.24Å; H334-H754 VanDerWaalsContact NE2-CE1 3.25Å; H334-H754 AromaticContact NE2-CG 3.95Å; H334-H754 AromaticContact NE2-ND1 3.6Å; H334-H754 AromaticContact NE2-NE2 3.4Å; H334-H754 PolarHBondContact NE2-NE2 2.87Å; H334-H754 PolarHBondContact NE2-O 3.13Å; H334-H754 PolarHBondContact O-CE1 3.13Å; H334-H754 PolarHBondContact O-NE2 2.76Å; H334-T758 WeakPolarHBondContact CD2-CG2 3.16Å
335	K	98.6	Very high	97.8	Very high	1 Å²	1	9.5 Å²	9.5	0%	0.004	5%	0.045	C	C	.	.	H	α-helix	trans	-62.3	-39	176.2	-72.9	168.6	-171.9	-57.7	0	111.9	F289 H290 L294 H331 L332 T333 M337 A338 Y718 T758	F289-K335 HydrophobicContact CD1-CD 4.49Å; H290-K335 PolarHBondContact NE2-NZ 2.96Å; L294-K335 HydrophobicContact CD1-CB 4.32Å; L294-K335 HydrophobicContact CD1-CD 4.12Å; L294-K335 HydrophobicContact CD1-CG 4.32Å; L294-K335 HydrophobicContact CD2-CB 3.92Å; H331-K335 WeakPolarHBondContact O-CB 3.31Å; H331-K335 WeakPolarHBondContact O-CD 3.28Å; H331-K335 WeakPolarHBondContact O-CG 3.46Å; H331-K335 PolarHBondContact O-N 3.32Å; H331-K335 VanDerWaalsContact O-N 3.11Å; L332-K335 PolarHBondContact O-N 3.43Å; T333-K335 VanDerWaalsContact C-N 3.27Å; T333-K335 PolarHBondContact O-N 2.98Å; K335-M337 VanDerWaalsContact C-N 3.32Å; K335-M337 PolarHBondContact O-N 3.25Å; K335-A338 WeakPolarHBondContact O-CB 3.4Å; K335-A338 PolarHBondContact O-N 3.49Å; K335-Y718 WeakPolarHBondContact CE-OH 3.33Å; K335-Y718 PolarHBondContact NZ-OH 3.19Å; K335-T758 HydrophobicContact CG-CG2 3.83Å; K335-T758 PolarHBondContact NZ-OG1 3.44Å
336	L	98.7	Very high	97.9	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-70.8	-24.9	176.1	-64.1	177.7	0	0	0	113.4	V216 W218 F289 V293 V307 L332 T333 H334 A338 F339	V216-L336 HydrophobicContact CB-CD1 4.26Å; V216-L336 HydrophobicContact CG1-CD1 4.42Å; V216-L336 HydrophobicContact CG2-CD1 4.23Å; V216-L336 HydrophobicContact CG2-CD2 3.97Å; W218-L336 HydrophobicContact CE3-CD1 4.49Å; W218-L336 HydrophobicContact CZ3-CD1 3.76Å; F289-L336 HydrophobicContact CE1-CD2 4.21Å; F289-L336 HydrophobicContact CE1-CG 4.2Å; V293-L336 HydrophobicContact CG1-CD2 4.41Å; V307-L336 HydrophobicContact CG2-CD1 3.67Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.87Å; L332-L336 VanDerWaalsContact O-N 3.16Å; T333-L336 PolarHBondContact O-N 3.46Å; H334-L336 VanDerWaalsContact C-N 3.31Å; H334-L336 PolarHBondContact O-N 3.38Å; L336-A338 PolarHBondContact O-N 3.47Å; L336-A338 VanDerWaalsContact O-N 3.16Å; L336-F339 HydrophobicContact CD2-CD2 4.37Å; L336-F339 HydrophobicContact CD2-CE2 4.18Å; L336-F339 VanDerWaalsContact O-CD2 3.28Å; L336-F339 WeakPolarHBondContact O-CD2 3.47Å; L336-F339 PolarHBondContact O-N 3.45Å
337	M	97.8	Very high	97.9	Very high	10 Å²	10	9.2 Å²	9.2	5%	0.049	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.2	176.1	-68.7	171.6	63.9	0	0	114.3	T333 H334 K335 F339 V344 A367 L368	T333-M337 HydrophobicContact CG2-SD 4.37Å; T333-M337 WeakPolarHBondContact O-CG 3.16Å; T333-M337 PolarHBondContact O-N 3.31Å; H334-M337 WeakPolarHBondContact O-CB 3.45Å; H334-M337 PolarHBondContact O-N 3.44Å; K335-M337 VanDerWaalsContact C-N 3.32Å; K335-M337 PolarHBondContact O-N 3.25Å; M337-F339 PolarHBondContact O-N 2.7Å; M337-V344 HydrophobicContact CG-CG2 4.18Å; M337-A367 WeakPolarHBondContact CE-O 3.32Å; M337-L368 HydrophobicContact SD-CD2 4.27Å
338	A	96.7	Very high	97.9	Very high	2 Å²	2	9.2 Å²	9.2	2%	0.017	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.1	171.4	0	0	0	0	0	112.5	K335 L336 H751	K335-A338 WeakPolarHBondContact O-CB 3.4Å; K335-A338 PolarHBondContact O-N 3.49Å; L336-A338 PolarHBondContact O-N 3.47Å; L336-A338 VanDerWaalsContact O-N 3.16Å; A338-H751 PolarHBondContact O-CE1 3.39Å; A338-H751 VanDerWaalsContact O-CE1 3.25Å
339	F	97.2	Very high	97.9	Very high	8 Å²	8	9.2 Å²	9.2	4%	0.035	4%	0.043	C	C	.	.	S	Bend	trans	-96.9	162.8	-171.7	-49.8	-66.2	0	0	0	112.4	L294 A297 Y298 P302 V305 L336 M337 E341 G342	L294-F339 HydrophobicContact CD2-CE2 3.81Å; L294-F339 HydrophobicContact CD2-CZ 3.83Å; A297-F339 HydrophobicContact CB-CD1 4.31Å; A297-F339 HydrophobicContact CB-CD2 4.09Å; A297-F339 HydrophobicContact CB-CE1 3.81Å; A297-F339 HydrophobicContact CB-CE2 3.57Å; A297-F339 HydrophobicContact CB-CG 4.45Å; A297-F339 HydrophobicContact CB-CZ 3.41Å; A297-F339 VanDerWaalsContact CB-CZ 3.41Å; Y298-F339 HydrophobicContact CD1-CD1 4.47Å; Y298-F339 AromaticContact CD1-CE1 3.67Å; Y298-F339 HydrophobicContact CD1-CE1 3.67Å; Y298-F339 AromaticContact CD2-CE1 3.76Å; Y298-F339 HydrophobicContact CD2-CE1 3.76Å; Y298-F339 AromaticContact CD2-CZ 3.87Å; Y298-F339 HydrophobicContact CD2-CZ 3.87Å; Y298-F339 AromaticContact CE1-CE1 3.83Å; Y298-F339 HydrophobicContact CE1-CE1 3.83Å; Y298-F339 AromaticContact CE2-CE1 3.89Å; Y298-F339 HydrophobicContact CE2-CE1 3.89Å; Y298-F339 AromaticContact CE2-CZ 3.84Å; Y298-F339 HydrophobicContact CE2-CZ 3.84Å; Y298-F339 AromaticContact CG-CE1 3.62Å; Y298-F339 HydrophobicContact CG-CE1 3.62Å; Y298-F339 HydrophobicContact CG-CZ 4.21Å; Y298-F339 AromaticContact CZ-CE1 3.92Å; P302-F339 HydrophobicContact CG-CB 3.77Å; P302-F339 HydrophobicContact CG-CG 4.32Å; V305-F339 HydrophobicContact CG2-CB 3.93Å; L336-F339 HydrophobicContact CD2-CD2 4.37Å; L336-F339 HydrophobicContact CD2-CE2 4.18Å; L336-F339 VanDerWaalsContact O-CD2 3.28Å; L336-F339 WeakPolarHBondContact O-CD2 3.47Å; L336-F339 PolarHBondContact O-N 3.45Å; M337-F339 PolarHBondContact O-N 2.7Å; F339-E341 PolarHBondContact O-N 3.15Å; F339-G342 PolarHBondContact O-N 3.27Å
340	A	95.9	Very high	97.8	Very high	3 Å²	3	9.2 Å²	9.2	3%	0.025	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	52.9	27.1	173.5	0	0	0	0	0	114.3	P302 E303 V305 G342 K343	P302-A340 VanDerWaalsContact O-CA 3.27Å; P302-A340 WeakPolarHBondContact O-CA 3.43Å; P302-A340 WeakPolarHBondContact O-CB 3.39Å; P302-A340 PolarHBondContact O-N 3.34Å; E303-A340 VanDerWaalsContact C-CB 3.44Å; E303-A340 WeakPolarHBondContact O-CB 3.4Å; V305-A340 HydrophobicContact CG2-CB 4.23Å; A340-G342 PolarHBondContact O-N 3.31Å; A340-K343 HydrophobicContact CB-CB 3.94Å; A340-K343 VanDerWaalsContact O-CB 3.28Å; A340-K343 WeakPolarHBondContact O-CB 3.11Å; A340-K343 WeakPolarHBondContact O-CD 3.49Å; A340-K343 WeakPolarHBondContact O-CG 3.06Å; A340-K343 PolarHBondContact O-N 2.77Å; A340-K343 VanDerWaalsContact O-N 3.15Å
341	E	94	Very high	97.7	Very high	82 Å²	82	9.2 Å²	9.2	38%	0.383	4%	0.044	S	C	.	.	G	3₁₀ helix	trans	53.6	37.8	-172.8	-55.4	172.4	-172.6	0	0	112.5	F339 N829 R832	F339-E341 PolarHBondContact O-N 3.15Å; E341-N829 WeakPolarHBondContact O-CB 3.33Å; E341-N829 VanDerWaalsContact O-CG 3.32Å; E341-N829 PolarHBondContact O-ND2 3.03Å; E341-R832 HydrophobicContact CG-CG 4.08Å
342	G	95.4	Very high	97.5	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	82.6	4.9	178.7	0	0	0	0	0	115.2	R170 F339 A340 V344	R170-G342 WeakPolarHBondContact CG-O 3.09Å; F339-G342 PolarHBondContact O-N 3.27Å; A340-G342 PolarHBondContact O-N 3.31Å; G342-V344 VanDerWaalsContact C-N 3.26Å; G342-V344 PolarHBondContact O-N 3Å
343	K	97.8	Very high	97.3	Very high	63 Å²	63	11.9 Å²	11.9	27%	0.274	5%	0.054	S	C	.	.			trans	-71.2	78.5	177	-62.5	176.9	-175	174.4	0	111.4	I164 R170 L304 V305 A340	I164-K343 HydrophobicContact CG2-CB 3.62Å; I164-K343 HydrophobicContact CG2-CD 3.9Å; I164-K343 HydrophobicContact CG2-CG 3.51Å; R170-K343 WeakPolarHBondContact O-CA 3.48Å; L304-K343 HydrophobicContact CD1-CB 4.25Å; V305-K343 PolarHBondContact N-O 3.12Å; A340-K343 HydrophobicContact CB-CB 3.94Å; A340-K343 VanDerWaalsContact O-CB 3.28Å; A340-K343 WeakPolarHBondContact O-CB 3.11Å; A340-K343 WeakPolarHBondContact O-CD 3.49Å; A340-K343 WeakPolarHBondContact O-CG 3.06Å; A340-K343 PolarHBondContact O-N 2.77Å; A340-K343 VanDerWaalsContact O-N 3.15Å
344	V	98.8	Very high	97.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.6	-178.4	-174.3	0	0	0	0	109.4	N171 A172 V305 V307 M337 G342 V346 L368	N171-V344 VanDerWaalsContact CA-O 3.22Å; N171-V344 WeakPolarHBondContact CA-O 3.02Å; N171-V344 HydrophobicContact CB-CB 4.39Å; N171-V344 WeakPolarHBondContact CB-O 3.1Å; A172-V344 PolarHBondContact N-O 2.85Å; V305-V344 HydrophobicContact CB-CG1 4.44Å; V305-V344 HydrophobicContact CB-CG2 4.17Å; V305-V344 HydrophobicContact CG1-CG1 4.41Å; V305-V344 CarbonylContact O-C 3.5Å; V305-V344 WeakPolarHBondContact O-CA 3.17Å; V307-V344 HydrophobicContact CG2-CG1 4.11Å; M337-V344 HydrophobicContact CG-CG2 4.18Å; G342-V344 VanDerWaalsContact C-N 3.26Å; G342-V344 PolarHBondContact O-N 3Å; V344-V346 HydrophobicContact CG1-CG2 4.02Å; V344-L368 HydrophobicContact CB-CD2 4.47Å; V344-L368 HydrophobicContact CG1-CD2 4.44Å
345	I	98.9	Very high	97	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.5	170.1	-57.9	172.5	0	0	0	107.5	W157 A160 V161 I164 A172 L304 V305 L306 V307	W157-I345 HydrophobicContact CD2-CG2 4.48Å; W157-I345 HydrophobicContact CE3-CG2 3.78Å; W157-I345 HydrophobicContact CZ3-CB 4.44Å; W157-I345 HydrophobicContact CZ3-CG2 3.87Å; A160-I345 HydrophobicContact CB-CD1 3.76Å; A160-I345 HydrophobicContact CB-CG1 4.09Å; A160-I345 HydrophobicContact CB-CG2 3.84Å; V161-I345 HydrophobicContact CB-CD1 4.25Å; V161-I345 HydrophobicContact CG2-CD1 3.5Å; I164-I345 HydrophobicContact CD1-CD1 3.9Å; I164-I345 HydrophobicContact CD1-CG1 3.34Å; A172-I345 HydrophobicContact CB-CG1 4.46Å; A172-I345 WeakPolarHBondContact O-CA 3.32Å; L304-I345 HydrophobicContact CD1-CD1 4.22Å; L304-I345 HydrophobicContact CD1-CG1 4.48Å; V305-I345 PolarHBondContact O-N 2.84Å; L306-I345 CarbonylContact C-O 3.53Å; L306-I345 WeakPolarHBondContact CA-O 3.26Å; L306-I345 HydrophobicContact CD2-CB 3.86Å; L306-I345 HydrophobicContact CD2-CD1 3.81Å; L306-I345 HydrophobicContact CD2-CG1 4.19Å; V307-I345 PolarHBondContact N-O 3.12Å
346	V	98.9	Very high	96.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.4	175	-173	0	0	0	0	108.1	A172 F173 C174 V307 A309 V344 T364 L368	A172-V346 PolarHBondContact O-N 2.88Å; F173-V346 CarbonylContact C-O 3.58Å; F173-V346 WeakPolarHBondContact CA-O 3.34Å; F173-V346 HydrophobicContact CD2-CB 3.91Å; F173-V346 HydrophobicContact CD2-CG1 3.97Å; F173-V346 HydrophobicContact CE2-CB 4.24Å; F173-V346 HydrophobicContact CE2-CG1 3.78Å; C174-V346 PolarHBondContact N-O 2.94Å; V307-V346 HydrophobicContact CB-CB 4.43Å; V307-V346 HydrophobicContact CB-CG1 4.27Å; V307-V346 HydrophobicContact CB-CG2 4.18Å; V307-V346 HydrophobicContact CG1-CG1 4.4Å; V307-V346 HydrophobicContact CG2-CG2 4.3Å; A309-V346 HydrophobicContact CB-CG1 3.41Å; A309-V346 VanDerWaalsContact CB-CG1 3.41Å; V344-V346 HydrophobicContact CG1-CG2 4.02Å; V346-T364 HydrophobicContact CG1-CG2 3.98Å; V346-T364 HydrophobicContact CG2-CG2 4.36Å; V346-L368 HydrophobicContact CB-CD1 4.48Å; V346-L368 HydrophobicContact CG2-CD1 4.06Å; V346-L368 HydrophobicContact CG2-CD2 4.25Å
347	G	98.7	Very high	96.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.4	174.8	0	0	0	0	0	112.5	C174 V307 A309 E349	C174-G347 WeakPolarHBondContact O-CA 3.45Å; V307-G347 PolarHBondContact O-N 2.93Å; A309-G347 WeakPolarHBondContact CA-O 3.47Å; A309-G347 WeakPolarHBondContact CB-O 3.28Å; A309-G347 PolarHBondContact N-O 2.8Å; G347-E349 PolarHBondContact O-N 3.15Å
348	L	98.7	Very high	96.9	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	125.4	-177	178.1	62.3	0	0	0	111.4	C174 L175 Y311 L357	C174-L348 PolarHBondContact O-N 3.4Å; C174-L348 VanDerWaalsContact O-N 3.13Å; L175-L348 HydrophobicContact CD1-CB 4.49Å; L175-L348 HydrophobicContact CD1-CD2 3.69Å; Y311-L348 HydrophobicContact CD2-CD1 3.71Å; Y311-L348 HydrophobicContact CE2-CD1 3.92Å; L348-L357 HydrophobicContact CD1-CD1 3.73Å
349	E	98.5	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.081	C	C	.	.			trans	-108.5	-110	169.7	-60.1	-70.7	-178.6	0	0	109.8	R77 P179 G180 H181 D219 S308 A309 G347	R77-E349 PolarHBondContact NH2-O 3.33Å; P179-E349 WeakPolarHBondContact CB-OE2 3.46Å; G180-E349 PolarHBondContact N-OE2 2.84Å; H181-E349 IonicContact CD2-OE2 2.69Å; H181-E349 PolarHBondContact N-OE2 3.02Å; D219-E349 HydrophobicContact CB-CB 4.46Å; D219-E349 WeakPolarHBondContact OD2-CB 3.26Å; S308-E349 PolarHBondContact OG-OE1 2.73Å; A309-E349 PolarHBondContact O-N 3.06Å; G347-E349 PolarHBondContact O-N 3.15Å
350	G	95.6	Very high	97	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.01	8%	0.08	C	C	.	.			trans	-78.2	179.7	176.7	0	0	0	0	0	115.7	D219 G310 Y311 D312 Y352	D219-G350 VanDerWaalsContact OD2-CA 3.25Å; D219-G350 WeakPolarHBondContact OD2-CA 3.23Å; D219-G350 PolarHBondContact OD2-N 2.85Å; G310-G350 WeakPolarHBondContact CA-O 3.5Å; Y311-G350 PolarHBondContact N-O 2.96Å; D312-G350 WeakPolarHBondContact OD2-CA 3.36Å; G350-Y352 WeakPolarHBondContact CA-OH 3.49Å
351	G	96.4	Very high	97.2	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	8%	0.079	C	C	.	.			trans	123.7	108.6	-176.3	0	0	0	0	0	111.7	R77	R77-G351 PolarHBondContact NE-O 3.4Å; R77-G351 PolarHBondContact NH2-O 3.08Å
352	Y	94.6	Very high	97.3	Very high	24 Å²	24	12.5 Å²	12.5	9%	0.094	6%	0.06	C	C	.	.			trans	-128	10.5	-165.2	-47.9	-70.6	0	0	0	114.1	L72 F191 D312 V319 G350	L72-Y352 HydrophobicContact CB-CD1 3.84Å; L72-Y352 HydrophobicContact CB-CE1 4.48Å; L72-Y352 HydrophobicContact CB-CG 4.12Å; F191-Y352 HydrophobicContact CD2-CE1 4.09Å; F191-Y352 AromaticContact CD2-CZ 3.9Å; F191-Y352 VanDerWaalsContact CD2-OH 3.24Å; F191-Y352 WeakPolarHBondContact CD2-OH 3.4Å; F191-Y352 AromaticContact CE2-CE1 3.85Å; F191-Y352 HydrophobicContact CE2-CE1 3.85Å; F191-Y352 HydrophobicContact CE2-CE2 4.39Å; F191-Y352 AromaticContact CE2-CZ 3.61Å; F191-Y352 WeakPolarHBondContact CE2-OH 3.18Å; D312-Y352 HydrophobicContact CB-CD2 4.06Å; D312-Y352 HydrophobicContact CB-CE2 4.06Å; D312-Y352 WeakPolarHBondContact OD2-CE2 3.48Å; V319-Y352 HydrophobicContact CB-CD2 4.17Å; V319-Y352 HydrophobicContact CG2-CD2 3.8Å; V319-Y352 HydrophobicContact CG2-CE2 4.38Å; V319-Y352 HydrophobicContact CG2-CG 4.48Å; G350-Y352 WeakPolarHBondContact CA-OH 3.49Å
353	Y	94.7	Very high	97.5	Very high	33 Å²	33	12.7 Å²	12.7	13%	0.129	6%	0.061	C	C	.	.			trans	-114.2	104.8	167	-167.7	-93	0	0	0	108.3	G316 D355 T356 L357 I450	G316-Y353 VanDerWaalsContact O-CB 3.31Å; G316-Y353 WeakPolarHBondContact O-CB 3.45Å; G316-Y353 WeakPolarHBondContact O-CD2 3.41Å; G316-Y353 VanDerWaalsContact O-CG 3.28Å; Y353-D355 VanDerWaalsContact C-N 3.29Å; Y353-D355 HydrophobicContact CD1-CB 4.25Å; Y353-D355 HydrophobicContact CE1-CB 3.94Å; Y353-D355 PolarHBondContact O-N 2.88Å; Y353-D355 VanDerWaalsContact O-N 3.17Å; Y353-T356 HydrophobicContact CD1-CG2 3.92Å; Y353-T356 WeakPolarHBondContact CD1-OG1 3.39Å; Y353-T356 HydrophobicContact CE1-CG2 4.34Å; Y353-T356 PolarHBondContact O-N 3.16Å; Y353-T356 PolarHBondContact O-OG1 3.03Å; Y353-L357 VanDerWaalsContact O-CB 3.3Å; Y353-L357 WeakPolarHBondContact O-CB 3.03Å; Y353-L357 PolarHBondContact O-N 2.93Å; Y353-I450 HydrophobicContact CD1-CG2 4.36Å; Y353-I450 HydrophobicContact CE1-CG2 3.61Å; Y353-I450 HydrophobicContact CE2-CG2 4.16Å
354	L	95.3	Very high	97.5	Very high	63 Å²	63	9.7 Å²	9.7	33%	0.33	5%	0.048	S	C	.	.	H	α-helix	trans	-56.6	-38.1	-162.9	-60.8	-179.7	0	0	0	114.1	E76 R77 A80 S358	E76-L354 HydrophobicContact CB-CD1 3.73Å; E76-L354 HydrophobicContact CB-CD2 4.2Å; R77-L354 HydrophobicContact CB-CD2 4.33Å; R77-L354 HydrophobicContact CG-CD2 3.82Å; A80-L354 HydrophobicContact CB-CB 4.46Å; L354-S358 VanDerWaalsContact O-CB 3.3Å; L354-S358 WeakPolarHBondContact O-CB 3.5Å; L354-S358 PolarHBondContact O-N 3.2Å; L354-S358 PolarHBondContact O-OG 2.78Å
355	D	95.8	Very high	97.5	Very high	69 Å²	69	9.7 Å²	9.7	37%	0.369	5%	0.048	S	C	.	.	H	α-helix	trans	-68.2	-47.8	-179.1	-79	-37.7	0	0	0	112.1	Y353 S358 E359 F454	Y353-D355 VanDerWaalsContact C-N 3.29Å; Y353-D355 HydrophobicContact CD1-CB 4.25Å; Y353-D355 HydrophobicContact CE1-CB 3.94Å; Y353-D355 PolarHBondContact O-N 2.88Å; Y353-D355 VanDerWaalsContact O-N 3.17Å; D355-S358 PolarHBondContact O-OG 3.34Å; D355-E359 VanDerWaalsContact O-CB 3.29Å; D355-E359 WeakPolarHBondContact O-CB 3.35Å; D355-E359 PolarHBondContact O-N 2.66Å; D355-E359 VanDerWaalsContact O-N 3.11Å; D355-F454 HydrophobicContact CB-CD1 4.19Å; D355-F454 HydrophobicContact CB-CE1 3.78Å; D355-F454 HydrophobicContact CB-CE2 4.27Å; D355-F454 HydrophobicContact CB-CZ 3.83Å; D355-F454 WeakPolarHBondContact O-CE2 3.48Å; D355-F454 WeakPolarHBondContact O-CZ 2.86Å
356	T	96.8	Very high	97.3	Very high	2 Å²	2	10 Å²	10	1%	0.012	5%	0.05	C	C	.	.	H	α-helix	trans	-74.3	-33.9	179.1	55.4	0	0	0	0	111.8	F315 P326 Y353 S360 F454	F315-T356 HydrophobicContact CD1-CG2 4.38Å; F315-T356 HydrophobicContact CE1-CG2 3.83Å; F315-T356 HydrophobicContact CE2-CG2 4Å; F315-T356 HydrophobicContact CZ-CG2 3.6Å; F315-T356 WeakPolarHBondContact O-CG2 3.39Å; F315-T356 PolarHBondContact O-OG1 3.26Å; P326-T356 HydrophobicContact CG-CG2 4.49Å; Y353-T356 HydrophobicContact CD1-CG2 3.92Å; Y353-T356 WeakPolarHBondContact CD1-OG1 3.39Å; Y353-T356 HydrophobicContact CE1-CG2 4.34Å; Y353-T356 PolarHBondContact O-N 3.16Å; Y353-T356 PolarHBondContact O-OG1 3.03Å; T356-S360 VanDerWaalsContact O-CB 3.25Å; T356-S360 WeakPolarHBondContact O-CB 3.27Å; T356-S360 PolarHBondContact O-N 3.16Å; T356-S360 PolarHBondContact O-OG 3.11Å; T356-F454 HydrophobicContact CG2-CD2 3.78Å; T356-F454 HydrophobicContact CG2-CE2 4.21Å
357	L	98.1	Very high	97.2	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-56.7	-59.9	170.7	167.2	64.8	0	0	0	111	R77 Y311 L348 Y353 E359 S360 V361	R77-L357 HydrophobicContact CB-CD2 3.7Å; R77-L357 HydrophobicContact CG-CD2 3.98Å; Y311-L357 HydrophobicContact CD2-CD1 3.6Å; Y311-L357 HydrophobicContact CG-CD1 4.05Å; L348-L357 HydrophobicContact CD1-CD1 3.73Å; Y353-L357 VanDerWaalsContact O-CB 3.3Å; Y353-L357 WeakPolarHBondContact O-CB 3.03Å; Y353-L357 PolarHBondContact O-N 2.93Å; L357-E359 VanDerWaalsContact C-N 3.28Å; L357-E359 PolarHBondContact O-N 3.35Å; L357-S360 PolarHBondContact O-N 2.8Å; L357-S360 VanDerWaalsContact O-N 3.11Å; L357-V361 HydrophobicContact CD1-CG2 4.13Å; L357-V361 WeakPolarHBondContact O-CG2 3.17Å; L357-V361 PolarHBondContact O-N 2.87Å
358	S	98	Very high	97.1	Very high	2 Å²	2	10 Å²	10	1%	0.014	5%	0.05	C	C	.	.	H	α-helix	trans	-65.1	-33.9	-173.5	58.2	0	0	0	0	112.3	K84 L354 D355 G362	K84-S358 VanDerWaalsContact CE-OG 3.26Å; K84-S358 WeakPolarHBondContact CE-OG 3.4Å; L354-S358 VanDerWaalsContact O-CB 3.3Å; L354-S358 WeakPolarHBondContact O-CB 3.5Å; L354-S358 PolarHBondContact O-N 3.2Å; L354-S358 PolarHBondContact O-OG 2.78Å; D355-S358 PolarHBondContact O-OG 3.34Å; S358-G362 PolarHBondContact O-N 3.21Å
359	E	97.9	Very high	96.9	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.014	6%	0.056	C	C	.	.	H	α-helix	trans	-67.2	-41.9	172.8	-162.6	71.1	-162.7	0	0	112	K84 Y88 P326 D355 L357 G362 H363 F454	K84-E359 IonicContact NZ-OE2 3.73Å; Y88-E359 VanDerWaalsContact OH-CD 3.29Å; Y88-E359 PolarHBondContact OH-OE1 2.94Å; Y88-E359 PolarHBondContact OH-OE2 2.55Å; P326-E359 HydrophobicContact CB-CB 4Å; P326-E359 HydrophobicContact CB-CG 3.84Å; P326-E359 HydrophobicContact CG-CB 4.23Å; P326-E359 HydrophobicContact CG-CG 4.26Å; D355-E359 VanDerWaalsContact O-CB 3.29Å; D355-E359 WeakPolarHBondContact O-CB 3.35Å; D355-E359 PolarHBondContact O-N 2.66Å; D355-E359 VanDerWaalsContact O-N 3.11Å; L357-E359 VanDerWaalsContact C-N 3.28Å; L357-E359 PolarHBondContact O-N 3.35Å; E359-G362 WeakPolarHBondContact O-CA 3.32Å; E359-G362 PolarHBondContact O-N 3.23Å; E359-G362 VanDerWaalsContact O-N 3.16Å; E359-H363 PolarHBondContact O-CD2 3.24Å; E359-H363 PolarHBondContact O-N 3.24Å; E359-F454 HydrophobicContact CB-CE2 3.7Å; E359-F454 HydrophobicContact CB-CZ 4.01Å; E359-F454 HydrophobicContact CG-CE2 3.91Å; E359-F454 HydrophobicContact CG-CZ 4.24Å
360	S	98.6	Very high	96.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.7	-38.1	179.7	-56.7	0	0	0	0	112.2	S314 P326 T356 L357 G362 H363 T364	S314-S360 PolarHBondContact OG-OG 3.34Å; P326-S360 WeakPolarHBondContact CA-OG 3.48Å; P326-S360 WeakPolarHBondContact CB-OG 3.21Å; T356-S360 VanDerWaalsContact O-CB 3.25Å; T356-S360 WeakPolarHBondContact O-CB 3.27Å; T356-S360 PolarHBondContact O-N 3.16Å; T356-S360 PolarHBondContact O-OG 3.11Å; L357-S360 PolarHBondContact O-N 2.8Å; L357-S360 VanDerWaalsContact O-N 3.11Å; S360-G362 VanDerWaalsContact C-N 3.34Å; S360-H363 PolarHBondContact O-N 3.08Å; S360-T364 WeakPolarHBondContact O-CB 3.27Å; S360-T364 PolarHBondContact O-N 3.28Å; S360-T364 PolarHBondContact O-OG1 3.39Å
361	V	98.6	Very high	96.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.8	-43	170.1	175	0	0	0	0	110.5	T81 F173 Y311 L357 H363 T364 L365	T81-V361 HydrophobicContact CG2-CB 3.72Å; T81-V361 HydrophobicContact CG2-CG1 3.39Å; T81-V361 HydrophobicContact CG2-CG2 3.98Å; F173-V361 HydrophobicContact CE1-CG1 3.76Å; F173-V361 HydrophobicContact CE2-CG1 3.93Å; F173-V361 HydrophobicContact CZ-CB 4.27Å; F173-V361 HydrophobicContact CZ-CG1 3.44Å; F173-V361 VanDerWaalsContact CZ-CG1 3.44Å; F173-V361 HydrophobicContact CZ-CG2 3.97Å; Y311-V361 HydrophobicContact CD2-CG2 3.89Å; Y311-V361 HydrophobicContact CE2-CG2 3.39Å; L357-V361 HydrophobicContact CD1-CG2 4.13Å; L357-V361 WeakPolarHBondContact O-CG2 3.17Å; L357-V361 PolarHBondContact O-N 2.87Å; V361-H363 PolarHBondContact O-N 2.64Å; V361-T364 WeakPolarHBondContact O-CB 3.23Å; V361-T364 PolarHBondContact O-N 2.7Å; V361-L365 WeakPolarHBondContact O-CB 3.46Å; V361-L365 PolarHBondContact O-N 3.48Å
362	G	97.8	Very high	96.1	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.4	-45.5	175.8	0	0	0	0	0	112.9	L90 S358 E359 S360 L365 S366	L90-G362 VanDerWaalsContact CD1-O 3.3Å; L90-G362 WeakPolarHBondContact CD1-O 3.42Å; S358-G362 PolarHBondContact O-N 3.21Å; E359-G362 WeakPolarHBondContact O-CA 3.32Å; E359-G362 PolarHBondContact O-N 3.23Å; E359-G362 VanDerWaalsContact O-N 3.16Å; S360-G362 VanDerWaalsContact C-N 3.34Å; G362-L365 PolarHBondContact O-N 3.29Å; G362-S366 VanDerWaalsContact O-CB 3.28Å; G362-S366 WeakPolarHBondContact O-CB 3.42Å; G362-S366 PolarHBondContact O-N 3.3Å
363	H	98.2	Very high	96.1	Very high	4 Å²	4	15 Å²	15	2%	0.019	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-42.5	174.4	-85.6	-68.2	0	0	0	112.9	P326 A330 E359 S360 V361 S366 A367 H461 I463	P326-H363 VanDerWaalsContact C-CD2 3.48Å; P326-H363 WeakPolarHBondContact O-CB 3.22Å; P326-H363 PolarHBondContact O-CD2 3.24Å; A330-H363 HydrophobicContact CB-CB 4.04Å; A330-H363 WeakPolarHBondContact CB-O 3.3Å; E359-H363 PolarHBondContact O-CD2 3.24Å; E359-H363 PolarHBondContact O-N 3.24Å; S360-H363 PolarHBondContact O-N 3.08Å; V361-H363 PolarHBondContact O-N 2.64Å; H363-S366 PolarHBondContact O-N 2.84Å; H363-A367 PolarHBondContact O-N 2.76Å; H363-H461 PolarHBondContact CE1-O 3.21Å; H363-H461 VanDerWaalsContact CE1-O 3.24Å; H363-H461 PolarHBondContact NE2-O 2.91Å; H363-I463 HydrophobicContact CB-CG1 4.48Å; H363-I463 VanDerWaalsContact CE1-CG1 3.44Å; H363-I463 WeakPolarHBondContact CE1-CG1 3.43Å; H363-I463 WeakPolarHBondContact ND1-CG1 3.44Å
364	T	98.7	Very high	96.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.3	-47.5	176.6	-58.2	0	0	0	0	111.3	F173 Y311 T333 V346 S360 V361 A367 L368	F173-T364 HydrophobicContact CD2-CG2 4.11Å; F173-T364 HydrophobicContact CE2-CG2 3.96Å; Y311-T364 WeakPolarHBondContact CE1-OG1 3.34Å; Y311-T364 VanDerWaalsContact OH-CB 3.27Å; Y311-T364 WeakPolarHBondContact OH-CB 3.47Å; Y311-T364 WeakPolarHBondContact OH-CG2 3.32Å; Y311-T364 PolarHBondContact OH-OG1 2.88Å; T333-T364 HydrophobicContact CG2-CG2 4.22Å; T333-T364 WeakPolarHBondContact OG1-CG2 3.3Å; V346-T364 HydrophobicContact CG1-CG2 3.98Å; V346-T364 HydrophobicContact CG2-CG2 4.36Å; S360-T364 WeakPolarHBondContact O-CB 3.27Å; S360-T364 PolarHBondContact O-N 3.28Å; S360-T364 PolarHBondContact O-OG1 3.39Å; V361-T364 WeakPolarHBondContact O-CB 3.23Å; V361-T364 PolarHBondContact O-N 2.7Å; T364-A367 WeakPolarHBondContact O-CB 3.29Å; T364-A367 PolarHBondContact O-N 3.27Å; T364-L368 WeakPolarHBondContact O-CG 3.36Å; T364-L368 PolarHBondContact O-N 3.19Å
365	L	97.8	Very high	96.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-66.3	-39.6	179.3	-175.4	60	0	0	0	112.1	T52 F54 C85 L90 L91 F173 V361 G362 A367 L368 L369	T52-L365 HydrophobicContact CG2-CD1 3.9Å; F54-L365 HydrophobicContact CD2-CD1 3.83Å; F54-L365 HydrophobicContact CD2-CD2 3.64Å; F54-L365 HydrophobicContact CD2-CG 4.37Å; F54-L365 HydrophobicContact CE2-CD1 4.45Å; F54-L365 HydrophobicContact CE2-CD2 3.76Å; C85-L365 HydrophobicContact CB-CD2 4.29Å; L90-L365 HydrophobicContact CB-CD2 3.67Å; L90-L365 HydrophobicContact CB-CG 4.24Å; L90-L365 HydrophobicContact CD1-CB 4.3Å; L90-L365 HydrophobicContact CD1-CD2 4.24Å; L90-L365 HydrophobicContact CD1-CG 4.46Å; L91-L365 HydrophobicContact CD2-CD2 3.99Å; F173-L365 HydrophobicContact CB-CD1 4.13Å; V361-L365 WeakPolarHBondContact O-CB 3.46Å; V361-L365 PolarHBondContact O-N 3.48Å; G362-L365 PolarHBondContact O-N 3.29Å; L365-A367 VanDerWaalsContact C-N 3.3Å; L365-A367 PolarHBondContact O-N 3.17Å; L365-L368 PolarHBondContact O-N 3.22Å; L365-L369 HydrophobicContact CG-CD1 4.11Å; L365-L369 WeakPolarHBondContact O-CB 3.29Å; L365-L369 VanDerWaalsContact O-CG 3.28Å; L365-L369 WeakPolarHBondContact O-CG 3.02Å; L365-L369 PolarHBondContact O-N 2.87Å
366	S	96	Very high	96.1	Very high	5 Å²	5	8.2 Å²	8.2	4%	0.035	6%	0.058	C	C	.	.	H	α-helix	trans	-58.9	-41.3	173.8	-177.7	0	0	0	0	111.6	G362 H363 L369 G370 D371	G362-S366 VanDerWaalsContact O-CB 3.28Å; G362-S366 WeakPolarHBondContact O-CB 3.42Å; G362-S366 PolarHBondContact O-N 3.3Å; H363-S366 PolarHBondContact O-N 2.84Å; S366-L369 PolarHBondContact O-N 3.06Å; S366-G370 PolarHBondContact O-N 2.66Å; S366-D371 VanDerWaalsContact O-CB 3.31Å; S366-D371 WeakPolarHBondContact O-CB 3.16Å; S366-D371 PolarHBondContact O-N 3.17Å; S366-D371 VanDerWaalsContact O-N 3.07Å; S366-D371 WeakPolarHBondContact OG-CB 3.46Å; S366-D371 PolarHBondContact OG-OD2 3.13Å
367	A	96.1	Very high	96.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.6	-46.4	173.4	0	0	0	0	0	112.7	A330 T333 M337 H363 T364 L365 L369 G370 M373	A330-A367 HydrophobicContact CB-CB 4.14Å; T333-A367 HydrophobicContact CG2-CB 3.94Å; M337-A367 WeakPolarHBondContact CE-O 3.32Å; H363-A367 PolarHBondContact O-N 2.76Å; T364-A367 WeakPolarHBondContact O-CB 3.29Å; T364-A367 PolarHBondContact O-N 3.27Å; L365-A367 VanDerWaalsContact C-N 3.3Å; L365-A367 PolarHBondContact O-N 3.17Å; A367-L369 PolarHBondContact O-N 3.36Å; A367-G370 PolarHBondContact O-N 3.19Å; A367-M373 HydrophobicContact CB-CE 3.78Å; A367-M373 HydrophobicContact CB-SD 4.49Å
368	L	96.9	Very high	96	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.5	-35.5	177.1	-69	174.2	0	0	0	112.8	T52 R170 N171 F173 T333 M337 V344 V346 T364 L365 G370	T52-L368 HydrophobicContact CG2-CB 3.92Å; T52-L368 HydrophobicContact CG2-CD1 4.4Å; T52-L368 PolarHBondContact OG1-O 3Å; T52-L368 VanDerWaalsContact OG1-O 3.08Å; R170-L368 PolarHBondContact NH2-O 3.27Å; N171-L368 HydrophobicContact CB-CD2 4.07Å; N171-L368 PolarHBondContact ND2-O 3.48Å; F173-L368 HydrophobicContact CB-CD1 4.03Å; F173-L368 HydrophobicContact CD2-CD1 4.21Å; T333-L368 HydrophobicContact CG2-CD2 3.72Å; T333-L368 HydrophobicContact CG2-CG 3.88Å; M337-L368 HydrophobicContact SD-CD2 4.27Å; V344-L368 HydrophobicContact CB-CD2 4.47Å; V344-L368 HydrophobicContact CG1-CD2 4.44Å; V346-L368 HydrophobicContact CB-CD1 4.48Å; V346-L368 HydrophobicContact CG2-CD1 4.06Å; V346-L368 HydrophobicContact CG2-CD2 4.25Å; T364-L368 WeakPolarHBondContact O-CG 3.36Å; T364-L368 PolarHBondContact O-N 3.19Å; L365-L368 PolarHBondContact O-N 3.22Å; L368-G370 PolarHBondContact O-N 3.04Å
369	L	94.3	Very high	95.9	Very high	25 Å²	25	15 Å²	15	13%	0.131	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-4.8	175.6	-73.5	168.1	0	0	0	113.9	L90 R93 L365 S366 A367	L90-L369 HydrophobicContact CB-CD1 4.11Å; L90-L369 HydrophobicContact CD2-CD1 3.98Å; R93-L369 HydrophobicContact CB-CD1 4.22Å; R93-L369 HydrophobicContact CB-CD2 3.85Å; L365-L369 HydrophobicContact CG-CD1 4.11Å; L365-L369 WeakPolarHBondContact O-CB 3.29Å; L365-L369 VanDerWaalsContact O-CG 3.28Å; L365-L369 WeakPolarHBondContact O-CG 3.02Å; L365-L369 PolarHBondContact O-N 2.87Å; S366-L369 PolarHBondContact O-N 3.06Å; A367-L369 PolarHBondContact O-N 3.36Å
370	G	91.6	Very high	95.8	Very high	45 Å²	45	20.6 Å²	20.6	46%	0.464	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	21.8	178.4	0	0	0	0	0	114.4	S366 A367 L368	S366-G370 PolarHBondContact O-N 2.66Å; A367-G370 PolarHBondContact O-N 3.19Å; L368-G370 PolarHBondContact O-N 3.04Å
371	D	92.1	Very high	95.7	Very high	20 Å²	20	25 Å²	25	11%	0.107	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-68.8	155.3	174.8	-69.7	-31.3	0	0	0	112	R93 S366 M373 A464	R93-D371 IonicContact CZ-OD1 3.51Å; R93-D371 VanDerWaalsContact CZ-OD1 3.28Å; R93-D371 IonicContact CZ-OD2 3.9Å; R93-D371 VanDerWaalsContact NH1-CG 3.3Å; R93-D371 IonicContact NH1-OD1 3.9Å; R93-D371 PolarHBondContact NH1-OD1 2.95Å; R93-D371 IonicContact NH1-OD2 3.51Å; R93-D371 PolarHBondContact NH1-OD2 3.24Å; R93-D371 IonicContact NH2-OD1 3.69Å; R93-D371 PolarHBondContact NH2-OD1 3.11Å; R93-D371 IonicContact NH2-OD2 3.68Å; S366-D371 VanDerWaalsContact O-CB 3.31Å; S366-D371 WeakPolarHBondContact O-CB 3.16Å; S366-D371 PolarHBondContact O-N 3.17Å; S366-D371 VanDerWaalsContact O-N 3.07Å; S366-D371 WeakPolarHBondContact OG-CB 3.46Å; S366-D371 PolarHBondContact OG-OD2 3.13Å; D371-M373 WeakPolarHBondContact O-CE 3.21Å; D371-M373 PolarHBondContact O-N 3.37Å; D371-A464 HydrophobicContact CB-CB 3.77Å
372	P	91	Very high	95.7	Very high	36 Å²	36	25.7 Å²	25.7	23%	0.234	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-54.6	137.4	169.6	-26	35.7	0	0	0	112.1	L590	P372-L590 HydrophobicContact CG-CD1 3.96Å; P372-L590 HydrophobicContact CG-CD2 3.94Å
373	M	93.6	Very high	95.7	Very high	7 Å²	7	26.5 Å²	26.5	3%	0.034	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-60.3	139.9	177.1	-67.7	-58.1	98	0	0	111.4	A330 H334 A367 D371 H761	A330-M373 HydrophobicContact CB-SD 4.1Å; A330-M373 VanDerWaalsContact O-SD 3.33Å; H334-M373 HydrophobicContact CB-CE 3.73Å; H334-M373 HydrophobicContact CB-CG 4.23Å; H334-M373 HydrophobicContact CB-SD 3.32Å; H334-M373 WeakPolarHBondContact CB-SD 3.47Å; A367-M373 HydrophobicContact CB-CE 3.78Å; A367-M373 HydrophobicContact CB-SD 4.49Å; D371-M373 WeakPolarHBondContact O-CE 3.21Å; D371-M373 PolarHBondContact O-N 3.37Å; M373-H761 VanDerWaalsContact O-CB 3.3Å; M373-H761 WeakPolarHBondContact O-CB 3.23Å
374	P	94.3	Very high	95.7	Very high	14 Å²	14	31 Å²	31	9%	0.091	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-65.6	166.6	175.6	30.9	-36.4	0	0	0	110.8	A330 H331	A330-P374 HydrophobicContact CB-CG 3.86Å; H331-P374 PolarHBondContact CE1-O 3.01Å; H331-P374 VanDerWaalsContact CE1-O 3.27Å; H331-P374 PolarHBondContact NE2-O 3.23Å
375	S	95.1	Very high	95.6	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.063	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-73.6	162	164.1	55.8	0	0	0	0	110.1	T460 H461 H761 L762	S375-T460 PolarHBondContact OG-O 3.46Å; S375-T460 VanDerWaalsContact OG-O 3.14Å; S375-H461 WeakPolarHBondContact O-CB 3.5Å; S375-H461 PolarHBondContact O-ND1 2.9Å; S375-H461 PolarHBondContact OG-ND1 3.14Å; S375-H761 WeakPolarHBondContact CB-O 3.13Å; S375-L762 WeakPolarHBondContact CB-O 3.47Å
376	L	96.7	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.194	C	C	.	.			trans	-120.4	167.7	169.8	-63.2	178.6	0	0	0	109.8	L286 S327 L328 H331 M379 H461 Y718 R721 L762	L286-L376 HydrophobicContact CD1-CD1 3.93Å; S327-L376 WeakPolarHBondContact OG-CD2 3.4Å; L328-L376 HydrophobicContact CD1-CD1 4.42Å; H331-L376 WeakPolarHBondContact NE2-CG 3.35Å; L376-M379 HydrophobicContact CB-CE 4.17Å; L376-M379 HydrophobicContact CD1-CE 4.17Å; L376-H461 PolarHBondContact O-CE1 2.75Å; L376-Y718 HydrophobicContact CD1-CD1 4.33Å; L376-Y718 HydrophobicContact CD1-CE1 3.85Å; L376-R721 PolarHBondContact O-NH1 3.23Å; L376-R721 PolarHBondContact O-NH2 2.84Å; L376-L762 HydrophobicContact CB-CD2 4.41Å; L376-L762 HydrophobicContact CG-CD2 4.34Å
377	D	95.9	Very high	95.6	Very high	33 Å²	33	33.1 Å²	33.1	18%	0.176	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-61.2	158.7	163.4	-85.3	-25.8	0	0	0	110.7	M379 Y456 H461 R721	D377-M379 WeakPolarHBondContact O-CE 3.36Å; D377-Y456 PolarHBondContact OD1-OH 3.42Å; D377-H461 PolarHBondContact N-CE1 2.91Å; D377-H461 PolarHBondContact N-NE2 3.5Å; D377-H461 IonicContact OD1-NE2 2.73Å; D377-H461 PolarHBondContact OD1-NE2 3.21Å; D377-R721 PolarHBondContact O-NH1 3.12Å; D377-R721 VanDerWaalsContact O-NH1 3.08Å
378	P	96.8	Very high	95.6	Very high	86 Å²	86	38.8 Å²	38.8	56%	0.558	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-55.3	139.5	172.2	-25.3	35.3	0	0	0	112.4	K380	P378-K380 PolarHBondContact O-N 2.9Å
379	M	96.9	Very high	95.6	Very high	28 Å²	28	38.9 Å²	38.9	14%	0.138	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-62.2	132.6	-178.7	-63.9	-62.5	95.4	0	0	111.1	L286 L376 D377 Y718 M860	L286-M379 HydrophobicContact CD1-CE 4.12Å; L286-M379 HydrophobicContact CD1-SD 3.62Å; L376-M379 HydrophobicContact CB-CE 4.17Å; L376-M379 HydrophobicContact CD1-CE 4.17Å; D377-M379 WeakPolarHBondContact O-CE 3.36Å; M379-Y718 WeakPolarHBondContact CG-O 3.25Å; M379-Y718 HydrophobicContact SD-CD1 4.38Å; M379-M860 HydrophobicContact CB-SD 4Å; M379-M860 HydrophobicContact CG-SD 4.13Å; M379-M860 HydrophobicContact SD-SD 4.49Å
380	K	95.9	Very high	95.7	Very high	120 Å²	120	37.7 Å²	37.7	52%	0.522	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-86.9	159.8	171.6	-66	-178.7	-179.7	179.4	0	110.1	S283 P378	S283-K380 WeakPolarHBondContact CB-O 3.39Å; S283-K380 PolarHBondContact OG-O 2.88Å; P378-K380 PolarHBondContact O-N 2.9Å
381	P	96.5	Very high	95.9	Very high	92 Å²	92	37.3 Å²	37.3	60%	0.597	21%	0.212	S	C	*	.	P	Polyproline II helix	trans	-54.2	141.6	166.5	-23.8	34.6	0	0	0	111	N383	P381-N383 PolarHBondContact O-N 2.87Å
382	I	98	Very high	96	Very high	15 Å²	15	37.8 Å²	37.8	8%	0.077	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-66.1	134.8	-179	-50.1	-48.8	0	0	0	109.8	T287 V386 L387 M860	T287-I382 HydrophobicContact CG2-CG1 4.46Å; T287-I382 HydrophobicContact CG2-CG2 4.35Å; T287-I382 WeakPolarHBondContact OG1-CD1 3.22Å; I382-V386 HydrophobicContact CG2-CB 4.27Å; I382-V386 HydrophobicContact CG2-CG1 4.21Å; I382-L387 HydrophobicContact CB-CD2 4.17Å; I382-L387 HydrophobicContact CB-CG 4.32Å; I382-L387 HydrophobicContact CG2-CD2 3.67Å; I382-L387 HydrophobicContact CG2-CG 3.85Å; I382-M860 HydrophobicContact CD1-CE 4.04Å; I382-M860 HydrophobicContact CD1-SD 3.65Å
383	N	97.7	Very high	96.2	Very high	17 Å²	17	36.1 Å²	36.1	9%	0.091	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-60.8	128.7	176	-174.1	-53.3	0	0	0	109.7	D277 D279 D284 P381 S385 V386 L387	D277-N383 PolarHBondContact OD2-ND2 2.98Å; D279-N383 PolarHBondContact O-ND2 3.23Å; D284-N383 WeakPolarHBondContact OD1-CB 3.47Å; D284-N383 PolarHBondContact OD1-N 2.85Å; P381-N383 PolarHBondContact O-N 2.87Å; N383-S385 PolarHBondContact O-N 3.5Å; N383-S385 WeakPolarHBondContact OD1-CB 3.45Å; N383-S385 PolarHBondContact OD1-N 2.87Å; N383-S385 PolarHBondContact OD1-OG 3.14Å; N383-V386 HydrophobicContact CB-CB 4.36Å; N383-V386 HydrophobicContact CB-CG2 3.94Å; N383-V386 WeakPolarHBondContact O-CB 3.5Å; N383-V386 PolarHBondContact O-N 2.87Å; N383-L387 PolarHBondContact O-N 3.31Å
384	P	97.2	Very high	96.3	Very high	99 Å²	99	35.8 Å²	35.8	64%	0.643	20%	0.202	S	C	*	.	H	α-helix	trans	-55.2	-35.8	179.3	-28.1	35.9	0	0	0	114.4	V386 L387 E388	P384-V386 PolarHBondContact O-N 2.83Å; P384-L387 PolarHBondContact O-N 3.2Å; P384-E388 PolarHBondContact O-N 2.79Å
385	S	97.3	Very high	96.2	Very high	16 Å²	16	35.2 Å²	35.2	11%	0.112	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-29.2	176.9	71.5	0	0	0	0	112.5	D277 N383 T389	D277-S385 VanDerWaalsContact CB-OG 3.26Å; D277-S385 WeakPolarHBondContact CB-OG 3.48Å; N383-S385 PolarHBondContact O-N 3.5Å; N383-S385 WeakPolarHBondContact OD1-CB 3.45Å; N383-S385 PolarHBondContact OD1-N 2.87Å; N383-S385 PolarHBondContact OD1-OG 3.14Å; S385-T389 WeakPolarHBondContact O-CB 3.39Å; S385-T389 PolarHBondContact O-N 3.42Å; S385-T389 PolarHBondContact O-OG1 2.82Å
386	V	98.2	Very high	96.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-74.8	-38.6	176.5	173.9	0	0	0	0	110.2	L275 I280 D284 I288 I382 N383 P384 E388 T389 I390	L275-V386 HydrophobicContact CD2-CG2 4.41Å; I280-V386 HydrophobicContact CD1-CG2 3.91Å; I280-V386 HydrophobicContact CG1-CG2 4.06Å; I280-V386 HydrophobicContact CG2-CG2 4.41Å; D284-V386 HydrophobicContact CB-CB 4.45Å; D284-V386 HydrophobicContact CB-CG1 4.17Å; D284-V386 HydrophobicContact CB-CG2 3.91Å; I288-V386 HydrophobicContact CD1-CG1 3.95Å; I288-V386 HydrophobicContact CG1-CG1 3.86Å; I382-V386 HydrophobicContact CG2-CB 4.27Å; I382-V386 HydrophobicContact CG2-CG1 4.21Å; N383-V386 HydrophobicContact CB-CB 4.36Å; N383-V386 HydrophobicContact CB-CG2 3.94Å; N383-V386 WeakPolarHBondContact O-CB 3.5Å; N383-V386 PolarHBondContact O-N 2.87Å; P384-V386 PolarHBondContact O-N 2.83Å; V386-E388 VanDerWaalsContact C-N 3.33Å; V386-T389 WeakPolarHBondContact O-CB 3.39Å; V386-T389 PolarHBondContact O-N 3.49Å; V386-I390 HydrophobicContact CG1-CD1 3.91Å; V386-I390 WeakPolarHBondContact O-CB 3.48Å; V386-I390 VanDerWaalsContact O-CG1 3.27Å; V386-I390 WeakPolarHBondContact O-CG1 3.46Å; V386-I390 PolarHBondContact O-N 3.27Å
387	L	96.6	Very high	96	Very high	34 Å²	34	35 Å²	35	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-39.8	173.2	-63.3	178.8	0	0	0	112	I382 N383 P384 I390 S391	I382-L387 HydrophobicContact CB-CD2 4.17Å; I382-L387 HydrophobicContact CB-CG 4.32Å; I382-L387 HydrophobicContact CG2-CD2 3.67Å; I382-L387 HydrophobicContact CG2-CG 3.85Å; N383-L387 PolarHBondContact O-N 3.31Å; P384-L387 PolarHBondContact O-N 3.2Å; L387-I390 PolarHBondContact O-N 3.32Å; L387-S391 WeakPolarHBondContact O-CB 3.47Å; L387-S391 PolarHBondContact O-N 3.03Å; L387-S391 PolarHBondContact O-OG 3.13Å
388	E	95.1	Very high	95.8	Very high	119 Å²	119	33.5 Å²	33.5	56%	0.556	19%	0.188	S	C	*	.	H	α-helix	trans	-62.8	-46.7	171.9	-176.6	178.6	179.8	0	0	111.2	P384 V386 I390 S391 N392	P384-E388 PolarHBondContact O-N 2.79Å; V386-E388 VanDerWaalsContact C-N 3.33Å; E388-I390 VanDerWaalsContact C-N 3.31Å; E388-I390 PolarHBondContact O-N 3.46Å; E388-S391 WeakPolarHBondContact O-CB 3.49Å; E388-S391 PolarHBondContact O-N 3.02Å; E388-S391 VanDerWaalsContact O-N 3.15Å; E388-N392 WeakPolarHBondContact O-CB 3.41Å; E388-N392 VanDerWaalsContact O-CG 3.25Å; E388-N392 PolarHBondContact O-N 2.92Å; E388-N392 PolarHBondContact O-ND2 3.45Å
389	T	96.9	Very high	95.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-57.4	-43.8	176.7	-59.8	0	0	0	0	112	I273 A274 L275 S385 V386 N392 C393	I273-T389 HydrophobicContact CG2-CG2 3.72Å; A274-T389 WeakPolarHBondContact O-CG2 3.14Å; A274-T389 PolarHBondContact O-OG1 2.89Å; A274-T389 VanDerWaalsContact O-OG1 3.13Å; L275-T389 HydrophobicContact CD2-CG2 4.4Å; S385-T389 WeakPolarHBondContact O-CB 3.39Å; S385-T389 PolarHBondContact O-N 3.42Å; S385-T389 PolarHBondContact O-OG1 2.82Å; V386-T389 WeakPolarHBondContact O-CB 3.39Å; V386-T389 PolarHBondContact O-N 3.49Å; T389-N392 WeakPolarHBondContact O-CB 3.5Å; T389-N392 PolarHBondContact O-N 3.18Å; T389-C393 PolarHBondContact O-N 3.08Å; T389-C393 PolarHBondContact O-SG 2.8Å
390	I	97.2	Very high	95.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.5	-45.7	176.6	-72.9	166.1	0	0	0	110.5	T287 I288 R291 I292 V386 L387 E388 N392 C393 I394	T287-I390 HydrophobicContact CG2-CD1 3.73Å; I288-I390 HydrophobicContact CG1-CD1 4.22Å; I288-I390 HydrophobicContact CG1-CG1 4.36Å; R291-I390 HydrophobicContact CB-CG2 4.24Å; I292-I390 HydrophobicContact CD1-CG2 4.35Å; I292-I390 HydrophobicContact CG1-CG1 4.44Å; V386-I390 HydrophobicContact CG1-CD1 3.91Å; V386-I390 WeakPolarHBondContact O-CB 3.48Å; V386-I390 VanDerWaalsContact O-CG1 3.27Å; V386-I390 WeakPolarHBondContact O-CG1 3.46Å; V386-I390 PolarHBondContact O-N 3.27Å; L387-I390 PolarHBondContact O-N 3.32Å; E388-I390 VanDerWaalsContact C-N 3.31Å; E388-I390 PolarHBondContact O-N 3.46Å; I390-N392 VanDerWaalsContact C-N 3.3Å; I390-N392 PolarHBondContact O-N 3.21Å; I390-C393 PolarHBondContact O-N 3.46Å; I390-I394 HydrophobicContact CG2-CD1 3.51Å; I390-I394 HydrophobicContact CG2-CG1 4.4Å; I390-I394 WeakPolarHBondContact O-CD1 3.47Å; I390-I394 VanDerWaalsContact O-CG1 3.26Å; I390-I394 WeakPolarHBondContact O-CG1 3.42Å; I390-I394 PolarHBondContact O-N 3.19Å
391	S	95.4	Very high	95.2	Very high	36 Å²	36	30.8 Å²	30.8	25%	0.252	16%	0.164	S	C	.	.	H	α-helix	trans	-59.2	-42.3	176.5	-61.9	0	0	0	0	111.7	L387 E388 I394 S395 V867	L387-S391 WeakPolarHBondContact O-CB 3.47Å; L387-S391 PolarHBondContact O-N 3.03Å; L387-S391 PolarHBondContact O-OG 3.13Å; E388-S391 WeakPolarHBondContact O-CB 3.49Å; E388-S391 PolarHBondContact O-N 3.02Å; E388-S391 VanDerWaalsContact O-N 3.15Å; S391-I394 PolarHBondContact O-N 3.02Å; S391-S395 WeakPolarHBondContact O-CB 3.31Å; S391-S395 PolarHBondContact O-N 2.94Å; S391-V867 WeakPolarHBondContact O-CG1 3.35Å
392	N	94	Very high	95	Very high	30 Å²	30	31.5 Å²	31.5	16%	0.16	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-48.6	176	-75	-20.3	0	0	0	111.5	Y258 E388 T389 I390 I394 S395 T396	Y258-N392 HydrophobicContact CD1-CB 3.66Å; Y258-N392 HydrophobicContact CD2-CB 3.66Å; Y258-N392 WeakPolarHBondContact CD2-O 3.42Å; Y258-N392 HydrophobicContact CE1-CB 3.82Å; Y258-N392 HydrophobicContact CE2-CB 3.83Å; Y258-N392 HydrophobicContact CG-CB 3.61Å; E388-N392 WeakPolarHBondContact O-CB 3.41Å; E388-N392 VanDerWaalsContact O-CG 3.25Å; E388-N392 PolarHBondContact O-N 2.92Å; E388-N392 PolarHBondContact O-ND2 3.45Å; T389-N392 WeakPolarHBondContact O-CB 3.5Å; T389-N392 PolarHBondContact O-N 3.18Å; I390-N392 VanDerWaalsContact C-N 3.3Å; I390-N392 PolarHBondContact O-N 3.21Å; N392-I394 PolarHBondContact O-N 3.04Å; N392-S395 PolarHBondContact O-N 2.98Å; N392-S395 PolarHBondContact O-OG 3.13Å; N392-T396 PolarHBondContact O-N 3.39Å; N392-T396 PolarHBondContact O-OG1 2.79Å
393	C	96.1	Very high	94.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-59.8	-46.3	175.4	-66.1	0	0	0	0	112	I292 T389 I390 S395 T396 L397	I292-C393 HydrophobicContact CD1-CB 3.93Å; I292-C393 HydrophobicContact CG1-CB 4.48Å; T389-C393 PolarHBondContact O-N 3.08Å; T389-C393 PolarHBondContact O-SG 2.8Å; I390-C393 PolarHBondContact O-N 3.46Å; C393-S395 VanDerWaalsContact C-N 3.3Å; C393-S395 PolarHBondContact O-N 3.32Å; C393-T396 PolarHBondContact O-N 3.37Å; C393-T396 PolarHBondContact O-OG1 2.85Å; C393-T396 VanDerWaalsContact O-OG1 3.11Å; C393-L397 HydrophobicContact CB-CD1 4.17Å; C393-L397 WeakPolarHBondContact O-CB 3.41Å; C393-L397 WeakPolarHBondContact O-CD1 3.43Å; C393-L397 WeakPolarHBondContact O-CG 3.28Å; C393-L397 PolarHBondContact O-N 3.46Å
394	I	94.8	Very high	94.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-43.5	178.2	-69.6	157.7	0	0	0	110.5	I292 I390 S391 N392 T396 L397 S398 Y407 L409 V867	I292-I394 HydrophobicContact CD1-CG1 3.92Å; I390-I394 HydrophobicContact CG2-CD1 3.51Å; I390-I394 HydrophobicContact CG2-CG1 4.4Å; I390-I394 WeakPolarHBondContact O-CD1 3.47Å; I390-I394 VanDerWaalsContact O-CG1 3.26Å; I390-I394 WeakPolarHBondContact O-CG1 3.42Å; I390-I394 PolarHBondContact O-N 3.19Å; S391-I394 PolarHBondContact O-N 3.02Å; N392-I394 PolarHBondContact O-N 3.04Å; I394-T396 PolarHBondContact O-N 3Å; I394-L397 PolarHBondContact O-N 2.88Å; I394-S398 VanDerWaalsContact CG2-OG 3.32Å; I394-S398 WeakPolarHBondContact CG2-OG 3.42Å; I394-S398 VanDerWaalsContact O-CB 3.27Å; I394-S398 WeakPolarHBondContact O-CB 3.07Å; I394-S398 PolarHBondContact O-N 2.92Å; I394-S398 PolarHBondContact O-OG 3.47Å; I394-Y407 HydrophobicContact CD1-CD1 3.59Å; I394-Y407 HydrophobicContact CD1-CD2 3.43Å; I394-Y407 VanDerWaalsContact CD1-CD2 3.43Å; I394-Y407 HydrophobicContact CD1-CE1 3.72Å; I394-Y407 HydrophobicContact CD1-CE2 3.6Å; I394-Y407 HydrophobicContact CD1-CG 3.46Å; I394-Y407 VanDerWaalsContact CD1-CG 3.46Å; I394-Y407 HydrophobicContact CG1-CD2 3.86Å; I394-Y407 HydrophobicContact CG1-CE2 4.16Å; I394-Y407 HydrophobicContact CG1-CG 4.22Å; I394-Y407 HydrophobicContact CG2-CD2 4.19Å; I394-Y407 HydrophobicContact CG2-CG 4.1Å; I394-L409 HydrophobicContact CG2-CD2 4.19Å; I394-V867 HydrophobicContact CB-CG2 4.46Å; I394-V867 HydrophobicContact CG2-CB 4.39Å; I394-V867 HydrophobicContact CG2-CG1 4.42Å; I394-V867 HydrophobicContact CG2-CG2 4.05Å
395	S	92.2	Very high	94.5	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-60.5	-33.1	-179.4	83.8	0	0	0	0	112.9	S391 N392 C393	S391-S395 WeakPolarHBondContact O-CB 3.31Å; S391-S395 PolarHBondContact O-N 2.94Å; N392-S395 PolarHBondContact O-N 2.98Å; N392-S395 PolarHBondContact O-OG 3.13Å; C393-S395 VanDerWaalsContact C-N 3.3Å; C393-S395 PolarHBondContact O-N 3.32Å
396	T	92.1	Very high	94.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-92.6	-24.1	-178.5	52.7	0	0	0	0	113.7	Y258 D259 N392 C393 I394 F399 F416 Y871	Y258-T396 HydrophobicContact CD2-CG2 3.6Å; Y258-T396 HydrophobicContact CE2-CG2 3.71Å; Y258-T396 PolarHBondContact O-OG1 3.15Å; D259-T396 HydrophobicContact CB-CG2 4.34Å; N392-T396 PolarHBondContact O-N 3.39Å; N392-T396 PolarHBondContact O-OG1 2.79Å; C393-T396 PolarHBondContact O-N 3.37Å; C393-T396 PolarHBondContact O-OG1 2.85Å; C393-T396 VanDerWaalsContact O-OG1 3.11Å; I394-T396 PolarHBondContact O-N 3Å; T396-F399 WeakPolarHBondContact O-CD1 3.44Å; T396-F399 WeakPolarHBondContact O-CE1 3.33Å; T396-F416 WeakPolarHBondContact O-CE1 3.46Å; T396-Y871 HydrophobicContact CG2-CE1 3.73Å
397	L	94.6	Very high	94	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-107.5	-21.6	-168.8	-65.3	172.4	0	0	0	114.3	I261 V271 L296 C393 I394 F399 R400 W401 L404	I261-L397 HydrophobicContact CB-CD2 4.26Å; I261-L397 HydrophobicContact CG2-CD2 3.81Å; V271-L397 HydrophobicContact CB-CD1 4.32Å; V271-L397 HydrophobicContact CG1-CD1 3.72Å; V271-L397 HydrophobicContact CG2-CD1 3.87Å; V271-L397 HydrophobicContact CG2-CD2 4.13Å; L296-L397 HydrophobicContact CD1-CD1 4.32Å; C393-L397 HydrophobicContact CB-CD1 4.17Å; C393-L397 WeakPolarHBondContact O-CB 3.41Å; C393-L397 WeakPolarHBondContact O-CD1 3.43Å; C393-L397 WeakPolarHBondContact O-CG 3.28Å; C393-L397 PolarHBondContact O-N 3.46Å; I394-L397 PolarHBondContact O-N 2.88Å; L397-F399 PolarHBondContact O-N 2.85Å; L397-R400 PolarHBondContact O-N 3.43Å; L397-W401 PolarHBondContact O-N 3.24Å; L397-W401 VanDerWaalsContact O-N 3.17Å; L397-L404 HydrophobicContact CB-CD1 3.69Å
398	S	92.7	Very high	93.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.007	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.5	-175.1	-63.1	0	0	0	0	114.8	I394 R400 H405	I394-S398 VanDerWaalsContact CG2-OG 3.32Å; I394-S398 WeakPolarHBondContact CG2-OG 3.42Å; I394-S398 VanDerWaalsContact O-CB 3.27Å; I394-S398 WeakPolarHBondContact O-CB 3.07Å; I394-S398 PolarHBondContact O-N 2.92Å; I394-S398 PolarHBondContact O-OG 3.47Å; S398-R400 PolarHBondContact O-N 3.45Å; S398-H405 PolarHBondContact O-NE2 3.18Å
399	F	90.2	Very high	93.2	Very high	73 Å²	73	24.7 Å²	24.7	32%	0.32	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.5	173.2	81.7	-82.4	0	0	0	112.3	I261 R267 T396 L397 F416	I261-F399 HydrophobicContact CD1-CE1 3.77Å; I261-F399 HydrophobicContact CD1-CZ 4.27Å; R267-F399 HydrophobicContact CG-CZ 4.2Å; R267-F399 VanDerWaalsContact NH1-CD2 3.29Å; T396-F399 WeakPolarHBondContact O-CD1 3.44Å; T396-F399 WeakPolarHBondContact O-CE1 3.33Å; L397-F399 PolarHBondContact O-N 2.85Å; F399-F416 HydrophobicContact CB-CE2 4.48Å; F399-F416 HydrophobicContact CB-CZ 4.05Å; F399-F416 HydrophobicContact CD1-CE1 4.15Å; F399-F416 HydrophobicContact CD1-CE2 4.41Å; F399-F416 AromaticContact CD1-CZ 3.51Å; F399-F416 HydrophobicContact CD1-CZ 3.51Å; F399-F416 HydrophobicContact CE1-CZ 4.26Å; F399-F416 HydrophobicContact CG-CE2 4.35Å; F399-F416 AromaticContact CG-CZ 3.83Å; F399-F416 HydrophobicContact CG-CZ 3.83Å
400	R	91.5	Very high	92.6	Very high	96 Å²	96	29.6 Å²	29.6	36%	0.362	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-45.2	-178.7	169.7	160.3	-71.3	-72.3	-1.7	111.9	R267 F269 L397 S398	R267-R400 PolarHBondContact O-NE 3.38Å; F269-R400 VanDerWaalsContact CE2-CZ 3.5Å; L397-R400 PolarHBondContact O-N 3.43Å; S398-R400 PolarHBondContact O-N 3.45Å
401	W	94.7	Very high	91.8	Very high	9 Å²	9	33.1 Å²	33.1	3%	0.034	16%	0.163	C	C	.	.			trans	-102.4	107.7	-167.1	-55.8	104.9	0	0	0	110.7	L237 G268 F269 L296 E299 F300 L397 F403 L404	L237-W401 HydrophobicContact CD1-CH2 4.35Å; L237-W401 HydrophobicContact CD1-CZ2 3.86Å; L237-W401 HydrophobicContact CD2-CH2 4.03Å; L237-W401 HydrophobicContact CD2-CZ2 4.28Å; G268-W401 WeakPolarHBondContact O-CZ2 3.23Å; G268-W401 PolarHBondContact O-NE1 2.7Å; F269-W401 HydrophobicContact CD1-CH2 4.16Å; F269-W401 HydrophobicContact CD1-CZ2 4.13Å; F269-W401 AromaticContact CE1-CH2 3.95Å; F269-W401 HydrophobicContact CE1-CH2 3.95Å; F269-W401 HydrophobicContact CE1-CZ2 4.26Å; L296-W401 HydrophobicContact CD2-CB 3.39Å; L296-W401 HydrophobicContact CD2-CD2 3.56Å; L296-W401 HydrophobicContact CD2-CE3 4.15Å; L296-W401 HydrophobicContact CD2-CG 3.2Å; E299-W401 HydrophobicContact CB-CE3 4.03Å; E299-W401 HydrophobicContact CB-CZ3 4.33Å; E299-W401 HydrophobicContact CG-CE3 3.87Å; E299-W401 HydrophobicContact CG-CZ3 4.26Å; E299-W401 VanDerWaalsContact OE2-C 3.22Å; E299-W401 VanDerWaalsContact OE2-CA 3.27Å; E299-W401 WeakPolarHBondContact OE2-CA 3.36Å; F300-W401 HydrophobicContact CB-CH2 4.08Å; F300-W401 HydrophobicContact CB-CZ3 4Å; F300-W401 HydrophobicContact CD2-CH2 4.01Å; F300-W401 HydrophobicContact CG-CH2 4.42Å; L397-W401 PolarHBondContact O-N 3.24Å; L397-W401 VanDerWaalsContact O-N 3.17Å; W401-F403 VanDerWaalsContact C-N 3.26Å; W401-F403 PolarHBondContact O-N 3.43Å; W401-L404 HydrophobicContact CB-CD1 4.07Å; W401-L404 HydrophobicContact CB-CG 4.08Å; W401-L404 WeakPolarHBondContact O-CB 3.45Å; W401-L404 PolarHBondContact O-N 2.89Å
402	K	92.2	Very high	90.7	Very high	107 Å²	107	35.5 Å²	35.5	47%	0.465	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-68.4	-26.8	-177.5	-62.9	-178.4	-177.8	176.1	0	112.2	E299 L404 H405 I839	E299-K402 VanDerWaalsContact CD-N 3.26Å; E299-K402 PolarHBondContact OE1-N 3.03Å; E299-K402 PolarHBondContact OE2-N 3.17Å; K402-L404 PolarHBondContact O-N 3.36Å; K402-L404 VanDerWaalsContact O-N 3.14Å; K402-H405 VanDerWaalsContact O-CB 3.25Å; K402-H405 WeakPolarHBondContact O-CB 3.46Å; K402-H405 VanDerWaalsContact O-CG 3.3Å; K402-H405 PolarHBondContact O-N 2.91Å; K402-I839 WeakPolarHBondContact O-CD1 3.16Å; K402-I839 WeakPolarHBondContact O-CG1 3.49Å
403	F	95.4	Very high	89.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-63.8	-18.8	176.4	-80.9	19.6	0	0	0	112.7	P295 E299 W401 H405 I706 V707 L837 I839	P295-F403 HydrophobicContact CB-CB 3.92Å; P295-F403 HydrophobicContact CB-CD2 4.45Å; P295-F403 VanDerWaalsContact O-CD2 3.23Å; P295-F403 WeakPolarHBondContact O-CD2 3.18Å; E299-F403 HydrophobicContact CB-CD1 4.37Å; E299-F403 HydrophobicContact CB-CD2 4.24Å; E299-F403 HydrophobicContact CB-CG 4.13Å; E299-F403 PolarHBondContact OE2-N 3.48Å; W401-F403 VanDerWaalsContact C-N 3.26Å; W401-F403 PolarHBondContact O-N 3.43Å; F403-H405 VanDerWaalsContact C-N 3.32Å; F403-I706 HydrophobicContact CE2-CB 4.5Å; F403-I706 HydrophobicContact CE2-CG2 4.04Å; F403-V707 HydrophobicContact CB-CG2 3.91Å; F403-V707 HydrophobicContact CD1-CG2 4Å; F403-V707 HydrophobicContact CD2-CG2 3.51Å; F403-V707 HydrophobicContact CE1-CG2 4.34Å; F403-V707 HydrophobicContact CE2-CG2 3.94Å; F403-V707 HydrophobicContact CG-CG2 3.56Å; F403-V707 HydrophobicContact CZ-CG2 4.36Å; F403-L837 HydrophobicContact CE1-CB 4.28Å; F403-L837 WeakPolarHBondContact CE1-O 3.41Å; F403-L837 HydrophobicContact CZ-CB 4.05Å; F403-L837 HydrophobicContact CZ-CD2 4.49Å; F403-I839 HydrophobicContact CD1-CG2 3.73Å; F403-I839 HydrophobicContact CE1-CG2 3.68Å
404	L	94.9	Very high	88.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-81	-5.7	171.9	-55.5	-178.2	0	0	0	113.4	I292 P295 L296 L397 W401 K402 I406 Y407	I292-L404 HydrophobicContact CD1-CD2 4.21Å; P295-L404 HydrophobicContact CB-CD2 4.37Å; L296-L404 HydrophobicContact CD2-CD1 4.09Å; L296-L404 HydrophobicContact CD2-CD2 4.36Å; L296-L404 HydrophobicContact CD2-CG 4.15Å; L397-L404 HydrophobicContact CB-CD1 3.69Å; W401-L404 HydrophobicContact CB-CD1 4.07Å; W401-L404 HydrophobicContact CB-CG 4.08Å; W401-L404 WeakPolarHBondContact O-CB 3.45Å; W401-L404 PolarHBondContact O-N 2.89Å; K402-L404 PolarHBondContact O-N 3.36Å; K402-L404 VanDerWaalsContact O-N 3.14Å; L404-I406 PolarHBondContact O-N 2.88Å; L404-I406 VanDerWaalsContact O-N 3.16Å; L404-Y407 VanDerWaalsContact O-CD2 3.31Å; L404-Y407 WeakPolarHBondContact O-CD2 3.48Å; L404-Y407 PolarHBondContact O-N 3.3Å
405	H	92.4	Very high	88.2	Confident	80 Å²	80	51.4 Å²	51.4	37%	0.37	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-72.2	-6.2	179.7	-61.1	176.8	0	0	0	113.6	S398 K402 F403 Y407 I839	S398-H405 PolarHBondContact O-NE2 3.18Å; K402-H405 VanDerWaalsContact O-CB 3.25Å; K402-H405 WeakPolarHBondContact O-CB 3.46Å; K402-H405 VanDerWaalsContact O-CG 3.3Å; K402-H405 PolarHBondContact O-N 2.91Å; F403-H405 VanDerWaalsContact C-N 3.32Å; H405-Y407 PolarHBondContact O-N 2.81Å; H405-I839 HydrophobicContact CB-CD1 4.18Å
406	I	93.9	Very high	87.7	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-58.4	-26.9	163.7	-169.6	172.2	0	0	0	111.6	L404 P408 V707 N711 M847 Q848 I851 F864	L404-I406 PolarHBondContact O-N 2.88Å; L404-I406 VanDerWaalsContact O-N 3.16Å; I406-P408 WeakPolarHBondContact O-CD 3.01Å; I406-V707 HydrophobicContact CB-CG1 4.21Å; I406-V707 HydrophobicContact CD1-CG1 3.81Å; I406-V707 HydrophobicContact CG2-CG1 4.29Å; I406-N711 HydrophobicContact CD1-CB 4Å; I406-M847 HydrophobicContact CD1-CB 3.87Å; I406-M847 HydrophobicContact CD1-CE 4.18Å; I406-M847 HydrophobicContact CD1-CG 4.4Å; I406-M847 HydrophobicContact CD1-SD 3.78Å; I406-M847 HydrophobicContact CG1-CB 4.14Å; I406-M847 HydrophobicContact CG1-CE 4.33Å; I406-Q848 VanDerWaalsContact O-CG 3.25Å; I406-Q848 WeakPolarHBondContact O-CG 3.43Å; I406-Q848 PolarHBondContact O-NE2 2.93Å; I406-I851 HydrophobicContact CD1-CD1 3.79Å; I406-I851 HydrophobicContact CG1-CD1 4.22Å; I406-F864 HydrophobicContact CD1-CE1 4.32Å
407	Y	92.2	Very high	87	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.012	28%	0.278	C	S	.	.	S	Bend	trans	-90.6	112	173.8	-56.9	-84.7	0	0	0	110.2	R291 I394 L404 H405 L409 N711 F864	R291-Y407 WeakPolarHBondContact CB-OH 3.4Å; R291-Y407 WeakPolarHBondContact CD-OH 3.16Å; R291-Y407 WeakPolarHBondContact CG-OH 3.35Å; I394-Y407 HydrophobicContact CD1-CD1 3.59Å; I394-Y407 HydrophobicContact CD1-CD2 3.43Å; I394-Y407 VanDerWaalsContact CD1-CD2 3.43Å; I394-Y407 HydrophobicContact CD1-CE1 3.72Å; I394-Y407 HydrophobicContact CD1-CE2 3.6Å; I394-Y407 HydrophobicContact CD1-CG 3.46Å; I394-Y407 VanDerWaalsContact CD1-CG 3.46Å; I394-Y407 HydrophobicContact CG1-CD2 3.86Å; I394-Y407 HydrophobicContact CG1-CE2 4.16Å; I394-Y407 HydrophobicContact CG1-CG 4.22Å; I394-Y407 HydrophobicContact CG2-CD2 4.19Å; I394-Y407 HydrophobicContact CG2-CG 4.1Å; L404-Y407 VanDerWaalsContact O-CD2 3.31Å; L404-Y407 WeakPolarHBondContact O-CD2 3.48Å; L404-Y407 PolarHBondContact O-N 3.3Å; H405-Y407 PolarHBondContact O-N 2.81Å; Y407-L409 PolarHBondContact O-N 3.16Å; Y407-N711 PolarHBondContact OH-ND2 3.18Å; Y407-F864 AromaticContact CD1-CD1 3.68Å; Y407-F864 HydrophobicContact CD1-CD1 3.68Å; Y407-F864 HydrophobicContact CD1-CE1 4.17Å; Y407-F864 HydrophobicContact CD1-CG 4.42Å; Y407-F864 AromaticContact CE1-CD1 3.14Å; Y407-F864 HydrophobicContact CE1-CD1 3.14Å; Y407-F864 AromaticContact CE1-CE1 3.29Å; Y407-F864 HydrophobicContact CE1-CE1 3.29Å; Y407-F864 AromaticContact CE1-CG 3.87Å; Y407-F864 HydrophobicContact CE1-CG 3.87Å; Y407-F864 HydrophobicContact CE1-CZ 4.12Å; Y407-F864 HydrophobicContact CE2-CE1 4.39Å; Y407-F864 AromaticContact CZ-CD1 3.79Å; Y407-F864 AromaticContact CZ-CE1 3.4Å; Y407-F864 VanDerWaalsContact CZ-CE1 3.4Å; Y407-F864 VanDerWaalsContact OH-CE1 3.23Å; Y407-F864 WeakPolarHBondContact OH-CE1 3.31Å; Y407-F864 WeakPolarHBondContact OH-CZ 3.45Å
408	P	87	Confident	86.4	Confident	42 Å²	42	60.7 Å²	60.7	27%	0.273	31%	0.306	S	S	.	.			trans	-68.3	136.8	179.2	24.6	-26.8	0	0	0	110.2	I406 P866 V867	I406-P408 WeakPolarHBondContact O-CD 3.01Å; P408-P866 HydrophobicContact CG-CB 4.07Å; P408-P866 HydrophobicContact CG-CG 4.02Å; P408-P866 CarbonylContact O-C 3.6Å; P408-P866 VanDerWaalsContact O-CA 3.27Å; P408-P866 WeakPolarHBondContact O-CA 2.93Å; P408-V867 PolarHBondContact O-N 3.44Å
409	L	87.2	Confident	86.1	Confident	31 Å²	31	62.4 Å²	62.4	16%	0.162	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-102.1	122.9	179.9	-61.4	169.8	0	0	0	109.2	I394 Y407 D412 V867 R869	I394-L409 HydrophobicContact CG2-CD2 4.19Å; Y407-L409 PolarHBondContact O-N 3.16Å; L409-D412 WeakPolarHBondContact CB-OD1 3.27Å; L409-D412 WeakPolarHBondContact CD1-OD1 3.35Å; L409-D412 WeakPolarHBondContact CG-OD1 3.22Å; L409-V867 WeakPolarHBondContact CA-O 3.37Å; L409-V867 HydrophobicContact CD2-CB 3.97Å; L409-V867 HydrophobicContact CD2-CG1 4.17Å; L409-R869 HydrophobicContact CD2-CG 4.36Å
410	L	84.2	Confident	85.6	Confident	105 Å²	105	63.7 Å²	63.7	55%	0.55	33%	0.333	S	S	.	.	S	Bend	trans	-72.2	-31.7	-176.4	-69	174.4	0	0	0	112.9	P866 V867 N868	L410-P866 HydrophobicContact CD1-CB 3.97Å; L410-P866 HydrophobicContact CD2-CB 3.5Å; L410-P866 VanDerWaalsContact CD2-CB 3.5Å; L410-P866 HydrophobicContact CD2-CG 4.33Å; L410-P866 HydrophobicContact CG-CB 3.53Å; L410-V867 PolarHBondContact N-O 2.73Å; L410-N868 HydrophobicContact CD1-CB 4.44Å
411	N	79.5	Confident	85.3	Confident	74 Å²	74	64.7 Å²	64.7	40%	0.396	34%	0.341	S	S	.	.			trans	-137.1	64.4	-168.7	-64.6	-35.1	0	0	0	112.4	N413 V414 N868	N411-N413 PolarHBondContact O-N 2.92Å; N411-N413 VanDerWaalsContact O-N 3.08Å; N411-V414 HydrophobicContact CB-CG2 3.72Å; N411-V414 WeakPolarHBondContact O-CG2 3.46Å; N411-V414 PolarHBondContact O-N 3.24Å; N411-V414 VanDerWaalsContact O-N 3.16Å; N411-N868 PolarHBondContact ND2-OD1 3.34Å
412	D	73.6	Confident	84.9	Confident	86 Å²	86	66.3 Å²	66.3	46%	0.46	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.2	-176.3	-84.3	-16.9	0	0	0	115.9	L409 V414 R869	L409-D412 WeakPolarHBondContact CB-OD1 3.27Å; L409-D412 WeakPolarHBondContact CD1-OD1 3.35Å; L409-D412 WeakPolarHBondContact CG-OD1 3.22Å; D412-V414 VanDerWaalsContact C-N 3.33Å; D412-R869 PolarHBondContact O-NH1 3Å; D412-R869 VanDerWaalsContact O-NH1 3.11Å; D412-R869 IonicContact OD1-CZ 3.81Å; D412-R869 IonicContact OD1-NE 3.02Å; D412-R869 PolarHBondContact OD1-NE 3.25Å; D412-R869 IonicContact OD1-NH2 3.62Å; D412-R869 PolarHBondContact OD1-NH2 2.83Å
413	N	76.4	Confident	84.5	Confident	160 Å²	160	66.6 Å²	66.6	86%	0.856	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-7.4	179.3	-63.1	-29.9	0	0	0	113.8	N411 L415	N411-N413 PolarHBondContact O-N 2.92Å; N411-N413 VanDerWaalsContact O-N 3.08Å; N413-L415 PolarHBondContact O-N 3.09Å
414	V	75.7	Confident	84.1	Confident	54 Å²	54	69.5 Å²	69.5	33%	0.327	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-66.4	121.2	179.7	176.3	0	0	0	0	108.9	N411 D412 R869 Y871	N411-V414 HydrophobicContact CB-CG2 3.72Å; N411-V414 WeakPolarHBondContact O-CG2 3.46Å; N411-V414 PolarHBondContact O-N 3.24Å; N411-V414 VanDerWaalsContact O-N 3.16Å; D412-V414 VanDerWaalsContact C-N 3.33Å; V414-R869 HydrophobicContact CB-CB 4.11Å; V414-R869 WeakPolarHBondContact CG1-O 3.34Å; V414-R869 WeakPolarHBondContact CG2-O 3.4Å; V414-Y871 HydrophobicContact CG1-CD2 4.08Å; V414-Y871 HydrophobicContact CG1-CE2 3.93Å
415	L	78.7	Confident	83.9	Confident	151 Å²	151	74.6 Å²	74.6	79%	0.791	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-65	142.4	176.6	-66.6	173.9	0	0	0	109.8	N413 Y871	N413-L415 PolarHBondContact O-N 3.09Å; L415-Y871 WeakPolarHBondContact O-CE2 3.14Å
416	F	82.7	Confident	83.9	Confident	69 Å²	69	70.9 Å²	70.9	30%	0.303	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-55	144.3	169.7	-71.3	-82.8	0	0	0	110.2	I261 T396 F399 D418 Y871	I261-F416 HydrophobicContact CD1-CE1 4.36Å; T396-F416 WeakPolarHBondContact O-CE1 3.46Å; F399-F416 HydrophobicContact CB-CE2 4.48Å; F399-F416 HydrophobicContact CB-CZ 4.05Å; F399-F416 HydrophobicContact CD1-CE1 4.15Å; F399-F416 HydrophobicContact CD1-CE2 4.41Å; F399-F416 AromaticContact CD1-CZ 3.51Å; F399-F416 HydrophobicContact CD1-CZ 3.51Å; F399-F416 HydrophobicContact CE1-CZ 4.26Å; F399-F416 HydrophobicContact CG-CE2 4.35Å; F399-F416 AromaticContact CG-CZ 3.83Å; F399-F416 HydrophobicContact CG-CZ 3.83Å; F416-D418 PolarHBondContact O-N 3.23Å; F416-Y871 WeakPolarHBondContact CD1-OH 3.42Å
417	P	77.8	Confident	83.9	Confident	22 Å²	22	71.2 Å²	71.2	14%	0.143	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-63.2	136.7	178.7	28.9	-32.7	0	0	0	108.9	I419 Y871 I876	P417-I419 HydrophobicContact CB-CG2 4.25Å; P417-I419 HydrophobicContact CG-CG2 4.18Å; P417-I419 PolarHBondContact O-N 3.14Å; P417-Y871 HydrophobicContact CB-CD2 4.46Å; P417-Y871 HydrophobicContact CB-CG 4.18Å; P417-Y871 HydrophobicContact CG-CD1 3.78Å; P417-Y871 HydrophobicContact CG-CD2 4.24Å; P417-Y871 HydrophobicContact CG-CE1 4.16Å; P417-Y871 HydrophobicContact CG-CG 3.82Å; P417-I876 HydrophobicContact CB-CD1 3.37Å; P417-I876 HydrophobicContact CB-CG1 4.29Å; P417-I876 HydrophobicContact CG-CD1 4.1Å
418	D	81.9	Confident	83.8	Confident	111 Å²	111	75.5 Å²	75.5	59%	0.594	41%	0.405	S	S	*	.			trans	-73.6	94.6	171.7	178.9	14.9	0	0	0	109.2	F416 S420 H421	F416-D418 PolarHBondContact O-N 3.23Å; D418-S420 WeakPolarHBondContact OD1-CB 3.25Å; D418-S420 PolarHBondContact OD1-N 3.26Å; D418-S420 PolarHBondContact OD1-OG 3.3Å; D418-H421 PolarHBondContact O-CE1 3.37Å; D418-H421 PolarHBondContact O-ND1 3.11Å
419	I	85	Confident	83.9	Confident	36 Å²	36	76.9 Å²	76.9	19%	0.185	41%	0.41	C	S	.	.			trans	-95.1	10.3	174.7	61.5	169.6	0	0	0	112.4	F260 P417 H421 L422	F260-I419 HydrophobicContact CD2-CD1 4.39Å; F260-I419 HydrophobicContact CE2-CD1 4.36Å; F260-I419 HydrophobicContact CZ-CD1 4.5Å; P417-I419 HydrophobicContact CB-CG2 4.25Å; P417-I419 HydrophobicContact CG-CG2 4.18Å; P417-I419 PolarHBondContact O-N 3.14Å; I419-H421 PolarHBondContact O-N 3.45Å; I419-H421 VanDerWaalsContact O-N 3.13Å; I419-L422 HydrophobicContact CB-CD1 4.06Å; I419-L422 HydrophobicContact CB-CG 4.47Å; I419-L422 HydrophobicContact CG2-CD1 4.11Å; I419-L422 WeakPolarHBondContact O-CB 3.44Å; I419-L422 PolarHBondContact O-N 3.04Å
420	S	81.1	Confident	83.9	Confident	100 Å²	100	76 Å²	76	70%	0.699	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.5	-177.5	67	0	0	0	0	113.9	D418 L422	D418-S420 WeakPolarHBondContact OD1-CB 3.25Å; D418-S420 PolarHBondContact OD1-N 3.26Å; D418-S420 PolarHBondContact OD1-OG 3.3Å; S420-L422 VanDerWaalsContact C-N 3.33Å
421	H	84.1	Confident	84.2	Confident	118 Å²	118	73.2 Å²	73.2	55%	0.546	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-15.5	174.9	66.6	-82	0	0	0	113.3	D418 I419	D418-H421 PolarHBondContact O-CE1 3.37Å; D418-H421 PolarHBondContact O-ND1 3.11Å; I419-H421 PolarHBondContact O-N 3.45Å; I419-H421 VanDerWaalsContact O-N 3.13Å
422	L	86.3	Confident	84.7	Confident	42 Å²	42	72.9 Å²	72.9	22%	0.22	39%	0.39	C	S	.	.	S	Bend	trans	-84.1	144	176.7	-59.2	-179.6	0	0	0	109.9	R254 F260 I419 S420 L424	R254-L422 HydrophobicContact CG-CD1 4.1Å; F260-L422 HydrophobicContact CE2-CD1 4.19Å; F260-L422 HydrophobicContact CZ-CB 4.22Å; F260-L422 HydrophobicContact CZ-CD1 4.05Å; I419-L422 HydrophobicContact CB-CD1 4.06Å; I419-L422 HydrophobicContact CB-CG 4.47Å; I419-L422 HydrophobicContact CG2-CD1 4.11Å; I419-L422 WeakPolarHBondContact O-CB 3.44Å; I419-L422 PolarHBondContact O-N 3.04Å; S420-L422 VanDerWaalsContact C-N 3.33Å; L422-L424 PolarHBondContact O-N 2.98Å
423	K	85.1	Confident	85.3	Confident	114 Å²	114	72.2 Å²	72.2	50%	0.496	39%	0.39	S	S	.	.			trans	-70.3	131.9	172.2	-68.1	-174.5	-171.2	171.4	0	109.2	Q425 D429	K423-Q425 VanDerWaalsContact C-N 3.28Å; K423-D429 VanDerWaalsContact CD-OD2 3.3Å; K423-D429 WeakPolarHBondContact CD-OD2 3.34Å; K423-D429 WeakPolarHBondContact CE-OD2 3.48Å; K423-D429 IonicContact NZ-OD1 2.74Å; K423-D429 PolarHBondContact NZ-OD1 3.44Å; K423-D429 IonicContact NZ-OD2 3.25Å; K423-D429 PolarHBondContact NZ-OD2 2.87Å
424	L	85.9	Confident	85.7	Confident	61 Å²	61	67.1 Å²	67.1	32%	0.319	36%	0.363	S	S	.	.	S	Bend	trans	-69.3	-29.3	173.6	179.1	57	0	0	0	112.6	Y228 Y231 F260 L422	Y228-L424 VanDerWaalsContact CE1-O 3.27Å; Y228-L424 WeakPolarHBondContact CE1-O 3.42Å; Y231-L424 HydrophobicContact CD1-CD1 3.5Å; Y231-L424 VanDerWaalsContact CD1-CD1 3.5Å; Y231-L424 HydrophobicContact CD1-CD2 3.42Å; Y231-L424 VanDerWaalsContact CD1-CD2 3.42Å; Y231-L424 HydrophobicContact CD1-CG 4.08Å; Y231-L424 HydrophobicContact CD2-CD1 4.08Å; Y231-L424 HydrophobicContact CE1-CD1 3.15Å; Y231-L424 HydrophobicContact CE1-CD2 3.78Å; Y231-L424 HydrophobicContact CE1-CG 4.1Å; Y231-L424 HydrophobicContact CE2-CD1 3.78Å; Y231-L424 HydrophobicContact CG-CD1 3.94Å; Y231-L424 HydrophobicContact CG-CD2 4.12Å; F260-L424 HydrophobicContact CD1-CD1 4.13Å; F260-L424 HydrophobicContact CE1-CD1 4.35Å; L422-L424 PolarHBondContact O-N 2.98Å
425	Q	91.8	Very high	85.9	Confident	106 Å²	106	65.4 Å²	65.4	50%	0.495	35%	0.351	S	S	.	.			trans	-126.9	98.1	176.1	-58	-177	11.4	0	0	107.8	Y228 K423	Y228-Q425 HydrophobicContact CD1-CG 3.73Å; Y228-Q425 HydrophobicContact CD2-CG 4Å; Y228-Q425 HydrophobicContact CE1-CB 4.31Å; Y228-Q425 HydrophobicContact CE1-CG 3.77Å; Y228-Q425 HydrophobicContact CE2-CB 4.29Å; Y228-Q425 HydrophobicContact CE2-CG 4.05Å; Y228-Q425 HydrophobicContact CG-CG 3.86Å; K423-Q425 VanDerWaalsContact C-N 3.28Å
426	S	92.1	Very high	86	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.014	34%	0.343	C	S	.	.			trans	-104	4.4	-178.1	79.2	0	0	0	0	113.3	E255 S428 D429 V430	E255-S426 WeakPolarHBondContact OE1-CA 3.44Å; E255-S426 PolarHBondContact OE1-N 2.85Å; E255-S426 PolarHBondContact OE1-OG 3.22Å; E255-S426 PolarHBondContact OE2-OG 3.24Å; S426-S428 VanDerWaalsContact C-N 3.28Å; S426-S428 PolarHBondContact O-N 3.07Å; S426-S428 VanDerWaalsContact O-N 3.14Å; S426-D429 WeakPolarHBondContact O-CA 3.25Å; S426-D429 VanDerWaalsContact O-CB 3.29Å; S426-D429 WeakPolarHBondContact O-CB 3.31Å; S426-D429 PolarHBondContact O-N 2.91Å; S426-V430 PolarHBondContact O-N 2.98Å
427	W	93.1	Very high	85.5	Confident	9 Å²	9	63.2 Å²	63.2	3%	0.034	34%	0.342	C	S	.	.	H	α-helix	trans	-45.3	-48.2	179.2	173.1	-115	0	0	0	113.9	D138 L184 E187 C189 W250 P251 L253 D429 V430 K431	D138-W427 HydrophobicContact CB-CH2 3.85Å; D138-W427 HydrophobicContact CB-CZ2 3.89Å; D138-W427 WeakPolarHBondContact OD2-CH2 3.42Å; L184-W427 HydrophobicContact CD1-CG 4.42Å; L184-W427 HydrophobicContact CD2-CB 4.35Å; L184-W427 VanDerWaalsContact CD2-CD1 3.45Å; L184-W427 HydrophobicContact CD2-CG 4.07Å; E187-W427 PolarHBondContact OE1-NE1 3.27Å; C189-W427 HydrophobicContact CB-CZ2 4.17Å; C189-W427 WeakPolarHBondContact SG-CH2 3.48Å; C189-W427 WeakPolarHBondContact SG-CZ2 3.24Å; W250-W427 HydrophobicContact CZ2-CH2 4.27Å; W250-W427 HydrophobicContact CZ2-CZ3 4.46Å; P251-W427 HydrophobicContact CB-CZ3 4.13Å; L253-W427 HydrophobicContact CD2-CB 4.47Å; L253-W427 HydrophobicContact CD2-CE3 4.41Å; W427-D429 PolarHBondContact O-N 2.64Å; W427-D429 VanDerWaalsContact O-N 3.09Å; W427-V430 HydrophobicContact CE3-CG2 3.89Å; W427-V430 HydrophobicContact CZ3-CG2 4.28Å; W427-V430 WeakPolarHBondContact O-CG2 3.36Å; W427-V430 PolarHBondContact O-N 3.19Å; W427-V430 VanDerWaalsContact O-N 3.09Å; W427-K431 HydrophobicContact CD2-CB 4.26Å; W427-K431 HydrophobicContact CH2-CB 4.29Å; W427-K431 HydrophobicContact CH2-CG 4.33Å; W427-K431 HydrophobicContact CZ2-CB 3.82Å; W427-K431 HydrophobicContact CZ2-CD 4.05Å; W427-K431 HydrophobicContact CZ2-CG 3.65Å; W427-K431 WeakPolarHBondContact O-CB 3.45Å; W427-K431 PolarHBondContact O-N 3.05Å
428	S	90.2	Very high	85.1	Confident	92 Å²	92	65.3 Å²	65.3	64%	0.643	35%	0.354	S	S	*	.	H	α-helix	trans	-60.1	-22	179.1	53.9	0	0	0	0	114.4	S426	S426-S428 VanDerWaalsContact C-N 3.28Å; S426-S428 PolarHBondContact O-N 3.07Å; S426-S428 VanDerWaalsContact O-N 3.14Å
429	D	88.4	Confident	83.9	Confident	71 Å²	71	67.3 Å²	67.3	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-85.5	-24.7	179.8	-56.5	-34.2	0	0	0	112.3	K423 S426 W427 V880	K423-D429 VanDerWaalsContact CD-OD2 3.3Å; K423-D429 WeakPolarHBondContact CD-OD2 3.34Å; K423-D429 WeakPolarHBondContact CE-OD2 3.48Å; K423-D429 IonicContact NZ-OD1 2.74Å; K423-D429 PolarHBondContact NZ-OD1 3.44Å; K423-D429 IonicContact NZ-OD2 3.25Å; K423-D429 PolarHBondContact NZ-OD2 2.87Å; S426-D429 WeakPolarHBondContact O-CA 3.25Å; S426-D429 VanDerWaalsContact O-CB 3.29Å; S426-D429 WeakPolarHBondContact O-CB 3.31Å; S426-D429 PolarHBondContact O-N 2.91Å; W427-D429 PolarHBondContact O-N 2.64Å; W427-D429 VanDerWaalsContact O-N 3.09Å; D429-V880 HydrophobicContact CB-CG1 4.34Å
430	V	89.2	Confident	82.9	Confident	13 Å²	13	69.6 Å²	69.6	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-106.5	-21.4	-178	-62.4	0	0	0	0	114.2	L253 S426 W427 V432 V880	L253-V430 HydrophobicContact CD2-CG2 3.44Å; L253-V430 VanDerWaalsContact CD2-CG2 3.44Å; L253-V430 HydrophobicContact CG-CG2 4.43Å; S426-V430 PolarHBondContact O-N 2.98Å; W427-V430 HydrophobicContact CE3-CG2 3.89Å; W427-V430 HydrophobicContact CZ3-CG2 4.28Å; W427-V430 WeakPolarHBondContact O-CG2 3.36Å; W427-V430 PolarHBondContact O-N 3.19Å; W427-V430 VanDerWaalsContact O-N 3.09Å; V430-V432 PolarHBondContact O-N 3.47Å; V430-V880 HydrophobicContact CB-CG1 4.5Å; V430-V880 HydrophobicContact CG1-CG1 3.04Å
431	K	90.5	Very high	82.2	Confident	47 Å²	47	71.3 Å²	71.3	20%	0.204	37%	0.372	C	S	.	.			trans	-50.7	123.8	-175.9	175.8	-178.7	175.6	176.7	0	110.9	T136 E187 W427	T136-K431 WeakPolarHBondContact O-CE 3.45Å; T136-K431 PolarHBondContact O-NZ 3.11Å; T136-K431 VanDerWaalsContact O-NZ 3.16Å; E187-K431 WeakPolarHBondContact OE1-CD 3.26Å; E187-K431 WeakPolarHBondContact OE1-CE 3.35Å; E187-K431 IonicContact OE1-NZ 2.82Å; E187-K431 PolarHBondContact OE1-NZ 2.72Å; E187-K431 IonicContact OE2-NZ 2.77Å; E187-K431 PolarHBondContact OE2-NZ 2.99Å; W427-K431 HydrophobicContact CD2-CB 4.26Å; W427-K431 HydrophobicContact CH2-CB 4.29Å; W427-K431 HydrophobicContact CH2-CG 4.33Å; W427-K431 HydrophobicContact CZ2-CB 3.82Å; W427-K431 HydrophobicContact CZ2-CD 4.05Å; W427-K431 HydrophobicContact CZ2-CG 3.65Å; W427-K431 WeakPolarHBondContact O-CB 3.45Å; W427-K431 PolarHBondContact O-N 3.05Å
432	V	88.1	Confident	81.9	Confident	67 Å²	67	68.5 Å²	68.5	41%	0.406	36%	0.359	S	S	.	.			trans	-116.2	109.4	168.4	-177.7	0	0	0	0	107.5	V430 N434	V430-V432 PolarHBondContact O-N 3.47Å; V432-N434 PolarHBondContact O-N 2.91Å; V432-N434 VanDerWaalsContact O-N 3.16Å
433	P	87.4	Confident	81.9	Confident	71 Å²	71	70.3 Å²	70.3	46%	0.461	37%	0.368	S	S	.	.			trans	-55	124.4	173.1	-25.1	34.3	0	0	0	110.4	A135 L137	A135-P433 WeakPolarHBondContact O-CB 3.24Å; L137-P433 WeakPolarHBondContact O-CA 3.46Å
434	N	84.3	Confident	81.9	Confident	53 Å²	53	71.2 Å²	71.2	28%	0.283	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-140.9	118.4	-179.5	-176	24.9	0	0	0	109.2	L137 S139 V432 E436	L137-N434 PolarHBondContact O-N 2.66Å; L137-N434 VanDerWaalsContact O-N 3.08Å; S139-N434 VanDerWaalsContact CA-O 3.26Å; S139-N434 WeakPolarHBondContact CA-O 3.3Å; S139-N434 PolarHBondContact N-O 3.08Å; V432-N434 PolarHBondContact O-N 2.91Å; V432-N434 VanDerWaalsContact O-N 3.16Å; N434-E436 PolarHBondContact OD1-O 3.27Å
435	F	79.8	Confident	81.9	Confident	19 Å²	19	75.9 Å²	75.9	8%	0.083	40%	0.403	C	S	.	.			trans	-117.1	-21.6	-174.7	174.4	-104	0	0	0	113.2	W67 F68 K131 S134 A135	W67-F435 HydrophobicContact CB-CZ 4.49Å; W67-F435 AromaticContact CD2-CZ 3.69Å; W67-F435 HydrophobicContact CD2-CZ 3.69Å; W67-F435 HydrophobicContact CE3-CE1 4.45Å; W67-F435 AromaticContact CE3-CE2 3.81Å; W67-F435 HydrophobicContact CE3-CE2 3.81Å; W67-F435 AromaticContact CE3-CZ 3.32Å; W67-F435 HydrophobicContact CE3-CZ 3.32Å; W67-F435 HydrophobicContact CG-CZ 4.21Å; W67-F435 HydrophobicContact CH2-CZ 4.42Å; W67-F435 AromaticContact CZ3-CE2 3.8Å; W67-F435 HydrophobicContact CZ3-CE2 3.8Å; W67-F435 AromaticContact CZ3-CZ 3.71Å; W67-F435 HydrophobicContact CZ3-CZ 3.71Å; F68-F435 HydrophobicContact CD2-CE1 4.37Å; F68-F435 AromaticContact CE2-CD1 3.79Å; F68-F435 HydrophobicContact CE2-CD1 3.79Å; F68-F435 AromaticContact CE2-CE1 3.52Å; F68-F435 HydrophobicContact CE2-CE1 3.52Å; F68-F435 HydrophobicContact CE2-CZ 4.2Å; F68-F435 WeakPolarHBondContact CE2-O 3.34Å; F68-F435 HydrophobicContact CZ-CE1 4.34Å; K131-F435 HydrophobicContact CD-CE1 4.32Å; K131-F435 HydrophobicContact CG-CE1 3.73Å; K131-F435 HydrophobicContact CG-CZ 3.72Å; S134-F435 VanDerWaalsContact CB-CD2 3.41Å; A135-F435 HydrophobicContact CB-CB 4.27Å; A135-F435 HydrophobicContact CB-CG 4.33Å
436	E	80.9	Confident	81.7	Confident	130 Å²	130	74.4 Å²	74.4	61%	0.607	40%	0.399	S	S	*	.	S	Bend	trans	-86.5	147	177.8	-53.5	-164.6	156	0	0	109.4	F68 N434 T438	F68-E436 HydrophobicContact CE2-CB 4.45Å; F68-E436 HydrophobicContact CE2-CG 4.25Å; F68-E436 HydrophobicContact CZ-CB 4.12Å; F68-E436 HydrophobicContact CZ-CG 3.75Å; N434-E436 PolarHBondContact OD1-O 3.27Å; E436-T438 PolarHBondContact O-N 3.1Å
437	P	73.3	Confident	81.6	Confident	43 Å²	43	79.4 Å²	79.4	28%	0.279	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-58.3	141.1	172	-10.6	20.9	0	0	0	109.9	F68 F71	F68-P437 HydrophobicContact CB-CG 3.57Å; F68-P437 HydrophobicContact CD1-CG 3.86Å; F68-P437 HydrophobicContact CD2-CG 4.33Å; F68-P437 VanDerWaalsContact CG-CD 3.44Å; F68-P437 HydrophobicContact CG-CG 3.68Å; F71-P437 HydrophobicContact CD2-CB 4.28Å; F71-P437 HydrophobicContact CD2-CG 4.05Å
438	T	67.5	Low	81.6	Confident	67 Å²	67	82.8 Å²	82.8	41%	0.411	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-73.5	132.7	162.4	47.8	0	0	0	0	108.6	E436 E440	E436-T438 PolarHBondContact O-N 3.1Å; T438-E440 PolarHBondContact O-N 3.32Å
439	D	58.5	Low	81.8	Confident	152 Å²	152	80.3 Å²	80.3	81%	0.813	43%	0.428	S	S	*	.			trans	-70.1	70	171	-83.4	-29.5	0	0	0	109.5
440	E	63.4	Low	82.1	Confident	85 Å²	85	77.8 Å²	77.8	40%	0.397	41%	0.414	S	S	.	.			trans	-107.6	68.2	173.2	-68.8	-170.8	-179.2	0	0	109.2	P318 T438	P318-E440 WeakPolarHBondContact CB-O 3.39Å; T438-E440 PolarHBondContact O-N 3.32Å
441	H	67.3	Low	82.4	Confident	136 Å²	136	80.8 Å²	80.8	63%	0.63	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-99.2	132.9	171.7	-64.7	-45.5	0	0	0	110.1	N443	H441-N443 PolarHBondContact O-N 3.48Å
442	H	77.7	Confident	82.7	Confident	59 Å²	59	85 Å²	85	27%	0.273	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-52.7	137.1	166.6	-67.9	112.6	0	0	0	110	G316 D446 K447 I450	G316-H442 PolarHBondContact O-CE1 2.98Å; H442-D446 HydrophobicContact CB-CB 3.93Å; H442-K447 HydrophobicContact CB-CB 4.29Å; H442-I450 WeakPolarHBondContact NE2-CD1 3.04Å
443	N	84.6	Confident	83.1	Confident	80 Å²	80	85.7 Å²	85.7	43%	0.428	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-65.4	167.6	165.8	72.6	47.2	0	0	0	109.4	H441 E445 D446 K447	H441-N443 PolarHBondContact O-N 3.48Å; N443-E445 PolarHBondContact O-N 2.86Å; N443-E445 WeakPolarHBondContact OD1-CA 3.35Å; N443-E445 WeakPolarHBondContact OD1-CB 3.49Å; N443-E445 PolarHBondContact OD1-N 2.85Å; N443-D446 VanDerWaalsContact CG-CG 3.48Å; N443-D446 VanDerWaalsContact ND2-CG 3.3Å; N443-D446 PolarHBondContact ND2-OD1 3.43Å; N443-D446 PolarHBondContact ND2-OD2 3.35Å; N443-D446 PolarHBondContact O-N 3.17Å; N443-D446 VanDerWaalsContact OD1-CG 3.32Å; N443-D446 PolarHBondContact OD1-N 3.4Å; N443-D446 PolarHBondContact OD1-OD2 3.35Å; N443-K447 PolarHBondContact O-N 3.13Å
444	V	85.3	Confident	83.6	Confident	132 Å²	132	83 Å²	83	80%	0.8	42%	0.422	S	S	*	.	H	α-helix	trans	-60.5	-33.1	-175.9	177.9	0	0	0	0	112.3	L448	V444-L448 PolarHBondContact O-N 2.85Å
445	E	87.4	Confident	84.2	Confident	159 Å²	159	84.8 Å²	84.8	74%	0.743	43%	0.431	S	S	*	.	H	α-helix	trans	-73.3	-44.9	-179.4	-61.5	-178.7	177.1	0	0	111.6	N443 K447 L448 G449	N443-E445 PolarHBondContact O-N 2.86Å; N443-E445 WeakPolarHBondContact OD1-CA 3.35Å; N443-E445 WeakPolarHBondContact OD1-CB 3.49Å; N443-E445 PolarHBondContact OD1-N 2.85Å; E445-K447 VanDerWaalsContact C-N 3.33Å; E445-K447 PolarHBondContact O-N 3.08Å; E445-L448 PolarHBondContact O-N 3.15Å; E445-G449 PolarHBondContact O-N 3.33Å
446	D	87.6	Confident	85	Confident	76 Å²	76	89.5 Å²	89.5	41%	0.406	45%	0.449	S	S	.	.	H	α-helix	trans	-59.1	-46.1	175.8	-65	-19.7	0	0	0	110.5	H442 N443 L448 G449 I450	H442-D446 HydrophobicContact CB-CB 3.93Å; N443-D446 VanDerWaalsContact CG-CG 3.48Å; N443-D446 VanDerWaalsContact ND2-CG 3.3Å; N443-D446 PolarHBondContact ND2-OD1 3.43Å; N443-D446 PolarHBondContact ND2-OD2 3.35Å; N443-D446 PolarHBondContact O-N 3.17Å; N443-D446 VanDerWaalsContact OD1-CG 3.32Å; N443-D446 PolarHBondContact OD1-N 3.4Å; N443-D446 PolarHBondContact OD1-OD2 3.35Å; D446-L448 VanDerWaalsContact C-N 3.35Å; D446-L448 PolarHBondContact O-N 3.04Å; D446-G449 PolarHBondContact O-N 3.5Å; D446-G449 VanDerWaalsContact O-N 3.11Å; D446-I450 WeakPolarHBondContact O-CD1 3.34Å; D446-I450 VanDerWaalsContact O-CG1 3.28Å; D446-I450 WeakPolarHBondContact O-CG1 3.5Å; D446-I450 PolarHBondContact O-N 3.33Å
447	K	89.1	Confident	85.8	Confident	106 Å²	106	83.6 Å²	83.6	46%	0.461	42%	0.422	S	S	.	.	H	α-helix	trans	-58.8	-46	178	-174.7	175.2	177.8	177.2	0	111.6	H442 N443 E445 G449 I450 E451	H442-K447 HydrophobicContact CB-CB 4.29Å; N443-K447 PolarHBondContact O-N 3.13Å; E445-K447 VanDerWaalsContact C-N 3.33Å; E445-K447 PolarHBondContact O-N 3.08Å; K447-G449 VanDerWaalsContact C-N 3.31Å; K447-G449 PolarHBondContact O-N 3.09Å; K447-I450 PolarHBondContact O-N 3.49Å; K447-E451 WeakPolarHBondContact CE-OE1 3.3Å; K447-E451 WeakPolarHBondContact O-CG 3.35Å; K447-E451 PolarHBondContact O-N 3.43Å
448	L	93.3	Very high	86.7	Confident	81 Å²	81	85.1 Å²	85.1	42%	0.424	42%	0.424	S	S	.	.	H	α-helix	trans	-64.4	-36	176.7	-178.3	63.5	0	0	0	112.1	V444 E445 D446 K452	V444-L448 PolarHBondContact O-N 2.85Å; E445-L448 PolarHBondContact O-N 3.15Å; D446-L448 VanDerWaalsContact C-N 3.35Å; D446-L448 PolarHBondContact O-N 3.04Å; L448-K452 HydrophobicContact CG-CD 4.43Å; L448-K452 WeakPolarHBondContact O-CB 3.4Å; L448-K452 VanDerWaalsContact O-CG 3.3Å; L448-K452 WeakPolarHBondContact O-CG 3.4Å; L448-K452 PolarHBondContact O-N 3.04Å; L448-K452 VanDerWaalsContact O-N 3.09Å
449	G	94.2	Very high	87.8	Confident	40 Å²	40	88 Å²	88	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-63.9	-45.2	174.4	0	0	0	0	0	112.5	E445 D446 K447 K452 R453	E445-G449 PolarHBondContact O-N 3.33Å; D446-G449 PolarHBondContact O-N 3.5Å; D446-G449 VanDerWaalsContact O-N 3.11Å; K447-G449 VanDerWaalsContact C-N 3.31Å; K447-G449 PolarHBondContact O-N 3.09Å; G449-K452 PolarHBondContact O-N 3.47Å; G449-R453 WeakPolarHBondContact O-CB 3.44Å; G449-R453 PolarHBondContact O-N 3.42Å
450	I	94.6	Very high	89.4	Confident	18 Å²	18	83.2 Å²	83.2	9%	0.092	41%	0.413	C	S	.	.	H	α-helix	trans	-63.1	-48.2	176.5	-65.9	160.1	0	0	0	110.5	F315 Y353 H442 D446 K447 K452 R453 F454	F315-I450 HydrophobicContact CD2-CG2 4.24Å; F315-I450 HydrophobicContact CE2-CG2 3.95Å; Y353-I450 HydrophobicContact CD1-CG2 4.36Å; Y353-I450 HydrophobicContact CE1-CG2 3.61Å; Y353-I450 HydrophobicContact CE2-CG2 4.16Å; H442-I450 WeakPolarHBondContact NE2-CD1 3.04Å; D446-I450 WeakPolarHBondContact O-CD1 3.34Å; D446-I450 VanDerWaalsContact O-CG1 3.28Å; D446-I450 WeakPolarHBondContact O-CG1 3.5Å; D446-I450 PolarHBondContact O-N 3.33Å; K447-I450 PolarHBondContact O-N 3.49Å; I450-K452 PolarHBondContact O-N 3.4Å; I450-R453 PolarHBondContact O-N 3.39Å; I450-F454 VanDerWaalsContact O-CB 3.32Å; I450-F454 WeakPolarHBondContact O-CB 3.25Å; I450-F454 PolarHBondContact O-N 3.4Å
451	E	95.7	Very high	90.8	Very high	76 Å²	76	79.6 Å²	79.6	36%	0.355	40%	0.396	S	S	.	.	H	α-helix	trans	-56.8	-46.9	177.7	-75.6	172.7	-176.3	0	0	111.5	K447 R453 F454 D455	K447-E451 WeakPolarHBondContact CE-OE1 3.3Å; K447-E451 WeakPolarHBondContact O-CG 3.35Å; K447-E451 PolarHBondContact O-N 3.43Å; E451-R453 PolarHBondContact O-N 3.34Å; E451-F454 PolarHBondContact O-N 3.26Å; E451-D455 PolarHBondContact O-N 2.84Å
452	K	97	Very high	91.9	Very high	135 Å²	135	76.7 Å²	76.7	59%	0.587	39%	0.389	S	S	*	.	H	α-helix	trans	-62.4	-42.8	176.7	-75	173.9	-178.9	173.8	0	113	L448 G449 I450 F454 Y456	L448-K452 HydrophobicContact CG-CD 4.43Å; L448-K452 WeakPolarHBondContact O-CB 3.4Å; L448-K452 VanDerWaalsContact O-CG 3.3Å; L448-K452 WeakPolarHBondContact O-CG 3.4Å; L448-K452 PolarHBondContact O-N 3.04Å; L448-K452 VanDerWaalsContact O-N 3.09Å; G449-K452 PolarHBondContact O-N 3.47Å; I450-K452 PolarHBondContact O-N 3.4Å; K452-F454 VanDerWaalsContact C-N 3.34Å; K452-Y456 WeakPolarHBondContact O-CB 3.2Å; K452-Y456 PolarHBondContact O-N 3.36Å
453	R	96.7	Very high	92.5	Very high	82 Å²	82	74.5 Å²	74.5	31%	0.309	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-39.9	177.3	179.7	171.7	174.9	77.6	0.6	110.8	F315 G449 I450 E451 Y456 L457	F315-R453 HydrophobicContact CD2-CB 4.38Å; F315-R453 HydrophobicContact CD2-CG 4Å; F315-R453 HydrophobicContact CE2-CB 3.91Å; F315-R453 HydrophobicContact CE2-CG 3.75Å; F315-R453 HydrophobicContact CG-CG 4.49Å; F315-R453 HydrophobicContact CZ-CB 4.46Å; F315-R453 HydrophobicContact CZ-CG 4.04Å; G449-R453 WeakPolarHBondContact O-CB 3.44Å; G449-R453 PolarHBondContact O-N 3.42Å; I450-R453 PolarHBondContact O-N 3.39Å; E451-R453 PolarHBondContact O-N 3.34Å; R453-Y456 WeakPolarHBondContact O-CB 3.35Å; R453-Y456 PolarHBondContact O-N 3.15Å; R453-L457 HydrophobicContact CG-CD1 3.93Å; R453-L457 HydrophobicContact CG-CG 4.39Å; R453-L457 VanDerWaalsContact O-CG 3.32Å; R453-L457 WeakPolarHBondContact O-CG 3.21Å; R453-L457 PolarHBondContact O-N 2.64Å
454	F	97.3	Very high	92.2	Very high	13 Å²	13	72 Å²	72	6%	0.057	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-48.9	176.7	-177	-111	0	0	0	112.2	F315 D355 T356 E359 I450 E451 K452 Y456 L457 K458	F315-F454 HydrophobicContact CE2-CB 4.15Å; F315-F454 HydrophobicContact CZ-CB 3.82Å; F315-F454 HydrophobicContact CZ-CD2 4.03Å; F315-F454 HydrophobicContact CZ-CG 4.44Å; D355-F454 HydrophobicContact CB-CD1 4.19Å; D355-F454 HydrophobicContact CB-CE1 3.78Å; D355-F454 HydrophobicContact CB-CE2 4.27Å; D355-F454 HydrophobicContact CB-CZ 3.83Å; D355-F454 WeakPolarHBondContact O-CE2 3.48Å; D355-F454 WeakPolarHBondContact O-CZ 2.86Å; T356-F454 HydrophobicContact CG2-CD2 3.78Å; T356-F454 HydrophobicContact CG2-CE2 4.21Å; E359-F454 HydrophobicContact CB-CE2 3.7Å; E359-F454 HydrophobicContact CB-CZ 4.01Å; E359-F454 HydrophobicContact CG-CE2 3.91Å; E359-F454 HydrophobicContact CG-CZ 4.24Å; I450-F454 VanDerWaalsContact O-CB 3.32Å; I450-F454 WeakPolarHBondContact O-CB 3.25Å; I450-F454 PolarHBondContact O-N 3.4Å; E451-F454 PolarHBondContact O-N 3.26Å; K452-F454 VanDerWaalsContact C-N 3.34Å; F454-Y456 VanDerWaalsContact C-N 3.27Å; F454-Y456 PolarHBondContact O-N 3.08Å; F454-L457 PolarHBondContact O-N 3.02Å; F454-K458 HydrophobicContact CE1-CD 4.36Å; F454-K458 VanDerWaalsContact O-CB 3.25Å; F454-K458 WeakPolarHBondContact O-CB 3.32Å; F454-K458 PolarHBondContact O-N 2.92Å
455	D	96.9	Very high	91.2	Very high	91 Å²	91	67.2 Å²	67.2	49%	0.487	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-40.2	175.3	-78.2	-20.9	0	0	0	111.6	E451 N459	E451-D455 PolarHBondContact O-N 2.84Å; D455-N459 WeakPolarHBondContact O-CB 3.42Å; D455-N459 VanDerWaalsContact O-CG 3.26Å; D455-N459 PolarHBondContact O-N 3.29Å; D455-N459 PolarHBondContact O-ND2 2.89Å
456	Y	97.4	Very high	89.7	Confident	119 Å²	119	64.5 Å²	64.5	47%	0.467	34%	0.339	S	S	.	.	H	α-helix	trans	-58.9	-58.5	173.6	170.1	-100.3	0	0	0	111.4	D377 K452 R453 F454 K458 N459 T460	D377-Y456 PolarHBondContact OD1-OH 3.42Å; K452-Y456 WeakPolarHBondContact O-CB 3.2Å; K452-Y456 PolarHBondContact O-N 3.36Å; R453-Y456 WeakPolarHBondContact O-CB 3.35Å; R453-Y456 PolarHBondContact O-N 3.15Å; F454-Y456 VanDerWaalsContact C-N 3.27Å; F454-Y456 PolarHBondContact O-N 3.08Å; Y456-K458 VanDerWaalsContact C-N 3.34Å; Y456-K458 PolarHBondContact O-N 2.67Å; Y456-N459 PolarHBondContact O-N 3.01Å; Y456-N459 VanDerWaalsContact O-N 3.07Å; Y456-T460 HydrophobicContact CD2-CG2 3.91Å; Y456-T460 HydrophobicContact CE1-CG2 4.38Å; Y456-T460 HydrophobicContact CE2-CG2 3.51Å; Y456-T460 HydrophobicContact CG-CG2 4.5Å; Y456-T460 PolarHBondContact O-N 2.87Å; Y456-T460 PolarHBondContact O-OG1 2.91Å; Y456-T460 VanDerWaalsContact O-OG1 3.05Å
457	L	96.1	Very high	88	Confident	6 Å²	6	67.2 Å²	67.2	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-39.9	-174.6	-69.1	171.7	0	0	0	112.3	F315 R453 F454 N459 T460 H461	F315-L457 HydrophobicContact CD1-CD1 3.89Å; F315-L457 HydrophobicContact CE1-CD1 3.27Å; F315-L457 HydrophobicContact CZ-CD1 3.81Å; R453-L457 HydrophobicContact CG-CD1 3.93Å; R453-L457 HydrophobicContact CG-CG 4.39Å; R453-L457 VanDerWaalsContact O-CG 3.32Å; R453-L457 WeakPolarHBondContact O-CG 3.21Å; R453-L457 PolarHBondContact O-N 2.64Å; F454-L457 PolarHBondContact O-N 3.02Å; L457-N459 VanDerWaalsContact C-N 3.27Å; L457-N459 PolarHBondContact O-N 3.16Å; L457-T460 WeakPolarHBondContact CA-OG1 3.38Å; L457-T460 PolarHBondContact O-N 3.13Å; L457-T460 PolarHBondContact O-OG1 2.86Å; L457-H461 VanDerWaalsContact CD2-CD2 3.5Å; L457-H461 WeakPolarHBondContact CD2-CD2 3.48Å; L457-H461 WeakPolarHBondContact O-CA 3.3Å; L457-H461 WeakPolarHBondContact O-CB 3.43Å; L457-H461 PolarHBondContact O-N 2.95Å
458	K	92.9	Very high	86.2	Confident	75 Å²	75	71.7 Å²	71.7	33%	0.326	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-36.2	176.2	-178.7	179.8	174.6	-179.5	0	112.4	Y88 F454 Y456	Y88-K458 VanDerWaalsContact OH-CE 3.26Å; Y88-K458 WeakPolarHBondContact OH-CE 3.38Å; F454-K458 HydrophobicContact CE1-CD 4.36Å; F454-K458 VanDerWaalsContact O-CB 3.25Å; F454-K458 WeakPolarHBondContact O-CB 3.32Å; F454-K458 PolarHBondContact O-N 2.92Å; Y456-K458 VanDerWaalsContact C-N 3.34Å; Y456-K458 PolarHBondContact O-N 2.67Å
459	N	91.4	Very high	84.3	Confident	128 Å²	128	71.5 Å²	71.5	68%	0.684	37%	0.371	S	S	*	.	H	α-helix	trans	-80.9	-32.2	179	-73.3	-47.1	0	0	0	112.8	D455 Y456 L457	D455-N459 WeakPolarHBondContact O-CB 3.42Å; D455-N459 VanDerWaalsContact O-CG 3.26Å; D455-N459 PolarHBondContact O-N 3.29Å; D455-N459 PolarHBondContact O-ND2 2.89Å; Y456-N459 PolarHBondContact O-N 3.01Å; Y456-N459 VanDerWaalsContact O-N 3.07Å; L457-N459 VanDerWaalsContact C-N 3.27Å; L457-N459 PolarHBondContact O-N 3.16Å
460	T	91.1	Very high	82.7	Confident	50 Å²	50	71.9 Å²	71.9	31%	0.307	37%	0.368	S	S	.	.	H	α-helix	trans	-88.7	-30.6	-178.7	54	0	0	0	0	113.9	S375 Y456 L457 P462	S375-T460 PolarHBondContact OG-O 3.46Å; S375-T460 VanDerWaalsContact OG-O 3.14Å; Y456-T460 HydrophobicContact CD2-CG2 3.91Å; Y456-T460 HydrophobicContact CE1-CG2 4.38Å; Y456-T460 HydrophobicContact CE2-CG2 3.51Å; Y456-T460 HydrophobicContact CG-CG2 4.5Å; Y456-T460 PolarHBondContact O-N 2.87Å; Y456-T460 PolarHBondContact O-OG1 2.91Å; Y456-T460 VanDerWaalsContact O-OG1 3.05Å; L457-T460 WeakPolarHBondContact CA-OG1 3.38Å; L457-T460 PolarHBondContact O-N 3.13Å; L457-T460 PolarHBondContact O-OG1 2.86Å; T460-P462 WeakPolarHBondContact O-CD 3.18Å
461	H	93.5	Very high	82.2	Confident	9 Å²	9	72.7 Å²	72.7	4%	0.042	38%	0.38	C	S	.	.	S	Bend	trans	-125.6	57	-177.2	-48.2	-53	0	0	0	110.7	H363 S375 L376 D377 L457	H363-H461 PolarHBondContact CE1-O 3.21Å; H363-H461 VanDerWaalsContact CE1-O 3.24Å; H363-H461 PolarHBondContact NE2-O 2.91Å; S375-H461 WeakPolarHBondContact O-CB 3.5Å; S375-H461 PolarHBondContact O-ND1 2.9Å; S375-H461 PolarHBondContact OG-ND1 3.14Å; L376-H461 PolarHBondContact O-CE1 2.75Å; D377-H461 PolarHBondContact N-CE1 2.91Å; D377-H461 PolarHBondContact N-NE2 3.5Å; D377-H461 IonicContact OD1-NE2 2.73Å; D377-H461 PolarHBondContact OD1-NE2 3.21Å; L457-H461 VanDerWaalsContact CD2-CD2 3.5Å; L457-H461 WeakPolarHBondContact CD2-CD2 3.48Å; L457-H461 WeakPolarHBondContact O-CA 3.3Å; L457-H461 WeakPolarHBondContact O-CB 3.43Å; L457-H461 PolarHBondContact O-N 2.95Å
462	P	91.2	Very high	82.2	Confident	75 Å²	75	69.2 Å²	69.2	49%	0.487	36%	0.364	S	S	.	.			trans	-64.2	146.8	-175.4	29.3	-36.3	0	0	0	111.1	T460 A464	T460-P462 WeakPolarHBondContact O-CD 3.18Å; P462-A464 PolarHBondContact O-N 3.18Å
463	I	89.5	Confident	82.2	Confident	13 Å²	13	62.8 Å²	62.8	7%	0.067	34%	0.336	C	S	.	.			trans	-57	135.2	163.7	-69.9	163	0	0	0	108.6	Y88 L90 H363 G465	Y88-I463 HydrophobicContact CD2-CD1 3.55Å; Y88-I463 HydrophobicContact CE2-CD1 3.33Å; Y88-I463 HydrophobicContact CE2-CG1 4.46Å; L90-I463 HydrophobicContact CD1-CG2 4.35Å; L90-I463 HydrophobicContact CD2-CG2 4.36Å; H363-I463 HydrophobicContact CB-CG1 4.48Å; H363-I463 VanDerWaalsContact CE1-CG1 3.44Å; H363-I463 WeakPolarHBondContact CE1-CG1 3.43Å; H363-I463 WeakPolarHBondContact ND1-CG1 3.44Å; I463-G465 PolarHBondContact O-N 3.27Å
464	A	77.4	Confident	82.3	Confident	28 Å²	28	59.1 Å²	59.1	23%	0.231	32%	0.323	C	S	.	.			trans	-58.7	110.7	175.4	0	0	0	0	0	108.9	D371 P462	D371-A464 HydrophobicContact CB-CB 3.77Å; P462-A464 PolarHBondContact O-N 3.18Å
465	G	65.6	Low	82.4	Confident	32 Å²	32	58.5 Å²	58.5	33%	0.33	32%	0.32	S	S	.	.			trans	-69	178.5	175.3	0	0	0	0	0	111.6	I463 N467	I463-G465 PolarHBondContact O-N 3.27Å; G465-N467 PolarHBondContact O-N 3.33Å
466	N	54.8	Low	82.4	Confident	102 Å²	102	56.1 Å²	56.1	55%	0.545	30%	0.304	S	S	.	.	S	Bend	trans	-66.4	21.8	176.3	-143.2	2	0	0	0	114.2	K468	N466-K468 PolarHBondContact O-N 2.76Å
467	N	52.8	Low	82.5	Confident	133 Å²	133	51.4 Å²	51.4	71%	0.711	29%	0.287	S	S	*	.			trans	-66.2	101.2	176.6	-73.3	-19.9	0	0	0	107.7	G465 I469	G465-N467 PolarHBondContact O-N 3.33Å; N467-I469 PolarHBondContact O-N 3.31Å
468	K	50.1	Low	82.5	Confident	200 Å²	200	56 Å²	56	87%	0.87	31%	0.312	S	S	*	.			trans	-60.7	70.2	169.2	-69.5	-179.5	176.2	-179.9	0	110.8	N466	N466-K468 PolarHBondContact O-N 2.76Å
469	I	54.6	Low	82.8	Confident	76 Å²	76	56.2 Å²	56.2	39%	0.39	31%	0.311	S	S	.	.			trans	-71.5	132.6	163.7	-59.3	177.7	0	0	0	106.9	N467 G471 L590	N467-I469 PolarHBondContact O-N 3.31Å; I469-G471 PolarHBondContact O-N 3.27Å; I469-L590 HydrophobicContact CB-CD2 3.94Å; I469-L590 HydrophobicContact CB-CG 4.27Å; I469-L590 HydrophobicContact CD1-CD2 4.35Å; I469-L590 HydrophobicContact CG2-CD2 3.54Å; I469-L590 HydrophobicContact CG2-CG 3.79Å
470	S	60.7	Low	83.1	Confident	49 Å²	49	50.1 Å²	50.1	34%	0.343	28%	0.278	S	S	.	.			trans	-83.1	77.4	-161.1	31.3	0	0	0	0	113.8	E588 S589	S470-E588 WeakPolarHBondContact CB-O 3.14Å; S470-E588 VanDerWaalsContact OG-C 3.28Å; S470-E588 PolarHBondContact OG-O 3.42Å; S470-S589 WeakPolarHBondContact O-CA 3.45Å; S470-S589 PolarHBondContact O-OG 2.94Å
471	G	83.2	Confident	83.4	Confident	35 Å²	35	49.8 Å²	49.8	36%	0.361	27%	0.273	S	S	.	.			trans	52.5	-158.5	153.3	0	0	0	0	0	117.8	I469 L590	I469-G471 PolarHBondContact O-N 3.27Å; G471-L590 PolarHBondContact O-N 3.28Å
472	T	95.9	Very high	83.6	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.8	179.5	-54.8	0	0	0	0	110.8	C514 K515 N591 L825 L826	T472-C514 CarbonylContact O-C 3.59Å; T472-C514 VanDerWaalsContact O-CA 3.24Å; T472-C514 WeakPolarHBondContact O-CA 3.48Å; T472-C514 WeakPolarHBondContact O-CB 3.2Å; T472-K515 PolarHBondContact O-N 2.96Å; T472-N591 WeakPolarHBondContact CA-O 3.48Å; T472-N591 VanDerWaalsContact CA-OD1 3.28Å; T472-N591 WeakPolarHBondContact CA-OD1 3.44Å; T472-N591 WeakPolarHBondContact CB-OD1 3.31Å; T472-N591 VanDerWaalsContact CG2-OD1 3.27Å; T472-N591 WeakPolarHBondContact CG2-OD1 3.49Å; T472-N591 PolarHBondContact OG1-OD1 2.93Å; T472-L825 HydrophobicContact CG2-CB 3.79Å; T472-L825 HydrophobicContact CG2-CD1 4.08Å; T472-L825 PolarHBondContact OG1-O 3.44Å; T472-L826 PolarHBondContact OG1-N 2.86Å
473	C	97.6	Very high	83.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	151.9	171.2	67.6	0	0	0	0	112.6	K515 I517 E583 S589 N591 G592 M593	C473-K515 CarbonylContact C-O 3.52Å; C473-K515 WeakPolarHBondContact CA-O 3.17Å; C473-K515 HydrophobicContact CB-CB 4.3Å; C473-K515 WeakPolarHBondContact CB-O 3.3Å; C473-I517 HydrophobicContact CB-CG2 4.21Å; C473-E583 HydrophobicContact CB-CG 4.16Å; C473-S589 WeakPolarHBondContact CB-OG 3.44Å; C473-N591 PolarHBondContact N-O 3.16Å; C473-G592 CarbonylContact O-C 3.6Å; C473-G592 WeakPolarHBondContact O-CA 3.13Å; C473-M593 PolarHBondContact O-N 3.11Å
474	L	98.5	Very high	84	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.1	-179.6	174.1	65.5	0	0	0	108.9	Y502 L505 K511 C514 K515 C516 I517 M593 L595	L474-Y502 HydrophobicContact CD2-CE2 4.23Å; L474-L505 HydrophobicContact CD1-CD1 4.32Å; L474-L505 HydrophobicContact CD2-CD1 4.13Å; L474-K511 HydrophobicContact CD2-CG 4.34Å; L474-C514 HydrophobicContact CB-CB 3.71Å; L474-C514 HydrophobicContact CD2-CB 4.36Å; L474-K515 PolarHBondContact N-O 3.46Å; L474-C516 WeakPolarHBondContact O-CA 3.4Å; L474-I517 PolarHBondContact O-N 2.87Å; L474-M593 WeakPolarHBondContact CA-O 3.42Å; L474-M593 HydrophobicContact CD1-CB 4.02Å; L474-M593 HydrophobicContact CD1-CG 4.03Å; L474-L595 HydrophobicContact CD1-CB 4.4Å
475	V	98.6	Very high	84.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	137	169.2	69.9	0	0	0	0	110.2	I517 A519 V580 M593 A594 L595 I596	V475-I517 HydrophobicContact CB-CD1 4.13Å; V475-I517 HydrophobicContact CB-CG1 3.8Å; V475-I517 HydrophobicContact CG2-CG1 4.29Å; V475-A519 HydrophobicContact CG2-CB 3.86Å; V475-V580 HydrophobicContact CB-CG2 3.88Å; V475-V580 HydrophobicContact CG1-CG2 3.34Å; V475-M593 PolarHBondContact N-O 3.47Å; V475-A594 HydrophobicContact CG1-CB 3.79Å; V475-L595 WeakPolarHBondContact O-CB 3.19Å; V475-L595 PolarHBondContact O-N 3.35Å; V475-I596 HydrophobicContact CG1-CG2 4.48Å
476	Y	98.3	Very high	85.7	Confident	41 Å²	41	57.9 Å²	57.9	16%	0.161	29%	0.293	C	S	.	.			trans	-154.7	138.8	174.1	164.7	-91.8	0	0	0	108.5	N478 Q481 I498 Y502 L595	Y476-N478 HydrophobicContact CE1-CB 4.37Å; Y476-Q481 PolarHBondContact OH-NE2 2.7Å; Y476-I498 HydrophobicContact CD2-CB 4.37Å; Y476-I498 HydrophobicContact CD2-CD1 4.43Å; Y476-I498 HydrophobicContact CE2-CB 4.04Å; Y476-I498 HydrophobicContact CE2-CD1 3.89Å; Y476-I498 HydrophobicContact CE2-CG1 4.08Å; Y476-Y502 AromaticContact CD1-CD1 3.4Å; Y476-Y502 HydrophobicContact CD1-CD1 3.4Å; Y476-Y502 AromaticContact CD1-CD2 3.9Å; Y476-Y502 HydrophobicContact CD1-CD2 3.9Å; Y476-Y502 AromaticContact CD1-CE1 3.34Å; Y476-Y502 HydrophobicContact CD1-CE1 3.34Å; Y476-Y502 AromaticContact CD1-CE2 3.92Å; Y476-Y502 HydrophobicContact CD1-CE2 3.92Å; Y476-Y502 AromaticContact CD1-CG 3.66Å; Y476-Y502 HydrophobicContact CD1-CG 3.66Å; Y476-Y502 AromaticContact CD1-CZ 3.65Å; Y476-Y502 HydrophobicContact CD2-CD1 4.28Å; Y476-Y502 HydrophobicContact CD2-CD2 4.13Å; Y476-Y502 AromaticContact CD2-CG 3.83Å; Y476-Y502 HydrophobicContact CD2-CG 3.83Å; Y476-Y502 AromaticContact CE1-CD1 3.24Å; Y476-Y502 HydrophobicContact CE1-CD1 3.24Å; Y476-Y502 AromaticContact CE1-CE1 3.44Å; Y476-Y502 HydrophobicContact CE1-CE1 3.44Å; Y476-Y502 VanDerWaalsContact CE1-CE1 3.44Å; Y476-Y502 AromaticContact CE1-CG 3.82Å; Y476-Y502 HydrophobicContact CE1-CG 3.82Å; Y476-Y502 HydrophobicContact CE2-CD1 4.13Å; Y476-Y502 AromaticContact CE2-CG 3.95Å; Y476-Y502 HydrophobicContact CE2-CG 3.95Å; Y476-Y502 AromaticContact CG-CD1 3.92Å; Y476-Y502 HydrophobicContact CG-CD1 3.92Å; Y476-Y502 AromaticContact CG-CD2 3.67Å; Y476-Y502 HydrophobicContact CG-CD2 3.67Å; Y476-Y502 HydrophobicContact CG-CE1 4.14Å; Y476-Y502 AromaticContact CG-CE2 3.98Å; Y476-Y502 HydrophobicContact CG-CE2 3.98Å; Y476-Y502 AromaticContact CG-CG 3.65Å; Y476-Y502 HydrophobicContact CG-CG 3.65Å; Y476-Y502 AromaticContact CZ-CD1 3.62Å; Y476-Y502 AromaticContact CZ-CG 3.94Å; Y476-L595 HydrophobicContact CD2-CD2 3.76Å; Y476-L595 HydrophobicContact CD2-CG 4.15Å; Y476-L595 HydrophobicContact CE2-CD2 4.48Å; Y476-L595 HydrophobicContact CG-CD2 4.47Å
477	D	98.2	Very high	87.2	Confident	20 Å²	20	60 Å²	60	11%	0.107	30%	0.299	C	S	.	.			trans	-137.9	131.1	174.5	-160.7	-56.6	0	0	0	110.9	R479 M480 A519 L572	D477-R479 VanDerWaalsContact C-N 3.27Å; D477-R479 PolarHBondContact O-N 3.37Å; D477-R479 VanDerWaalsContact OD1-CB 3.23Å; D477-R479 WeakPolarHBondContact OD1-CB 3.18Å; D477-R479 VanDerWaalsContact OD1-CG 3.27Å; D477-R479 WeakPolarHBondContact OD1-CG 3.3Å; D477-R479 IonicContact OD1-CZ 3.87Å; D477-R479 PolarHBondContact OD1-N 2.9Å; D477-R479 IonicContact OD1-NE 2.93Å; D477-R479 PolarHBondContact OD1-NE 2.82Å; D477-R479 IonicContact OD2-CZ 3.45Å; D477-R479 VanDerWaalsContact OD2-CZ 3.27Å; D477-R479 IonicContact OD2-NE 3.31Å; D477-R479 PolarHBondContact OD2-NE 3.38Å; D477-R479 VanDerWaalsContact OD2-NE 3.07Å; D477-R479 IonicContact OD2-NH2 3.51Å; D477-R479 PolarHBondContact OD2-NH2 3.25Å; D477-M480 HydrophobicContact CB-CE 3.86Å; D477-M480 WeakPolarHBondContact O-CE 3.44Å; D477-M480 PolarHBondContact O-N 3.34Å; D477-A519 HydrophobicContact CB-CB 3.63Å; D477-A519 WeakPolarHBondContact OD2-CB 3.3Å; D477-L572 HydrophobicContact CB-CD2 4.11Å
478	N	97.4	Very high	89	Confident	102 Å²	102	56.4 Å²	56.4	55%	0.545	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-71.2	-21	-179.7	65.2	-11.7	0	0	0	112.9	Y476 M480 Q481	Y476-N478 HydrophobicContact CE1-CB 4.37Å; N478-M480 PolarHBondContact O-N 2.87Å; N478-Q481 WeakPolarHBondContact O-CB 3.46Å; N478-Q481 VanDerWaalsContact O-CG 3.26Å; N478-Q481 WeakPolarHBondContact O-CG 3.45Å; N478-Q481 PolarHBondContact O-N 3.16Å
479	R	98.3	Very high	90.6	Very high	81 Å²	81	52 Å²	52	31%	0.306	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-61.4	-30.4	176.8	-66.2	175.2	-71.5	169.3	-7.1	112.1	D477 Q481 N482 Y521 N569 L572	D477-R479 VanDerWaalsContact C-N 3.27Å; D477-R479 PolarHBondContact O-N 3.37Å; D477-R479 VanDerWaalsContact OD1-CB 3.23Å; D477-R479 WeakPolarHBondContact OD1-CB 3.18Å; D477-R479 VanDerWaalsContact OD1-CG 3.27Å; D477-R479 WeakPolarHBondContact OD1-CG 3.3Å; D477-R479 IonicContact OD1-CZ 3.87Å; D477-R479 PolarHBondContact OD1-N 2.9Å; D477-R479 IonicContact OD1-NE 2.93Å; D477-R479 PolarHBondContact OD1-NE 2.82Å; D477-R479 IonicContact OD2-CZ 3.45Å; D477-R479 VanDerWaalsContact OD2-CZ 3.27Å; D477-R479 IonicContact OD2-NE 3.31Å; D477-R479 PolarHBondContact OD2-NE 3.38Å; D477-R479 VanDerWaalsContact OD2-NE 3.07Å; D477-R479 IonicContact OD2-NH2 3.51Å; D477-R479 PolarHBondContact OD2-NH2 3.25Å; R479-Q481 PolarHBondContact O-N 3.29Å; R479-N482 VanDerWaalsContact O-CB 3.29Å; R479-N482 WeakPolarHBondContact O-CB 3.3Å; R479-N482 VanDerWaalsContact O-CG 3.29Å; R479-N482 PolarHBondContact O-N 3.49Å; R479-N482 PolarHBondContact O-ND2 3.45Å; R479-Y521 VanDerWaalsContact NH1-CE2 3.32Å; R479-Y521 PolarHBondContact NH1-OH 3.49Å; R479-Y521 VanDerWaalsContact NH1-OH 3.08Å; R479-N569 PolarHBondContact O-ND2 3.16Å; R479-N569 PolarHBondContact O-OD1 3.27Å; R479-L572 HydrophobicContact CB-CD2 3.64Å
480	M	98.1	Very high	92.2	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-57.2	-20.6	174.1	-72.1	-174.6	-77.7	0	0	112.6	D477 N478 N482 I498 N569 L572 A573 L595 I596 R597	D477-M480 HydrophobicContact CB-CE 3.86Å; D477-M480 WeakPolarHBondContact O-CE 3.44Å; D477-M480 PolarHBondContact O-N 3.34Å; N478-M480 PolarHBondContact O-N 2.87Å; M480-N482 PolarHBondContact O-N 2.87Å; M480-I498 HydrophobicContact CB-CD1 3.77Å; M480-I498 HydrophobicContact CE-CD1 4.49Å; M480-N569 VanDerWaalsContact C-ND2 3.28Å; M480-N569 WeakPolarHBondContact CA-ND2 3.42Å; M480-N569 PolarHBondContact O-ND2 3.2Å; M480-L572 HydrophobicContact CG-CB 4.31Å; M480-L572 HydrophobicContact CG-CD2 3.8Å; M480-L572 HydrophobicContact CG-CG 3.98Å; M480-A573 HydrophobicContact SD-CB 4.26Å; M480-L595 WeakPolarHBondContact CE-O 3.38Å; M480-I596 HydrophobicContact CE-CB 4.42Å; M480-I596 HydrophobicContact CE-CG2 4.12Å; M480-I596 HydrophobicContact SD-CB 3.91Å; M480-I596 HydrophobicContact SD-CG2 4.03Å; M480-R597 HydrophobicContact CB-CG 4.04Å; M480-R597 WeakPolarHBondContact CB-O 3.43Å; M480-R597 WeakPolarHBondContact CG-O 3.34Å; M480-R597 PolarHBondContact O-NH1 3.09Å; M480-R597 PolarHBondContact SD-N 2.7Å; M480-R597 VanDerWaalsContact SD-O 3.38Å
481	Q	97	Very high	93.7	Very high	43 Å²	43	53.5 Å²	53.5	20%	0.201	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-69.6	-15.1	174.3	-60.5	179.1	36.7	0	0	114.1	Y476 N478 R479 H483 P495 I498	Y476-Q481 PolarHBondContact OH-NE2 2.7Å; N478-Q481 WeakPolarHBondContact O-CB 3.46Å; N478-Q481 VanDerWaalsContact O-CG 3.26Å; N478-Q481 WeakPolarHBondContact O-CG 3.45Å; N478-Q481 PolarHBondContact O-N 3.16Å; R479-Q481 PolarHBondContact O-N 3.29Å; Q481-H483 VanDerWaalsContact C-N 3.27Å; Q481-H483 PolarHBondContact O-N 2.89Å; Q481-P495 HydrophobicContact CB-CB 3.8Å; Q481-P495 HydrophobicContact CB-CG 4.41Å; Q481-P495 HydrophobicContact CG-CB 4Å; Q481-P495 VanDerWaalsContact O-CG 3.22Å; Q481-P495 WeakPolarHBondContact O-CG 3.46Å; Q481-I498 HydrophobicContact CG-CD1 4.03Å; Q481-I498 HydrophobicContact CG-CG1 4.3Å
482	N	96.9	Very high	94.2	Very high	69 Å²	69	53.9 Å²	53.9	37%	0.369	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-71	-20.7	-179.7	-64.1	-22.6	0	0	0	113.4	R479 M480 K484 N563 H565 N569	R479-N482 VanDerWaalsContact O-CB 3.29Å; R479-N482 WeakPolarHBondContact O-CB 3.3Å; R479-N482 VanDerWaalsContact O-CG 3.29Å; R479-N482 PolarHBondContact O-N 3.49Å; R479-N482 PolarHBondContact O-ND2 3.45Å; M480-N482 PolarHBondContact O-N 2.87Å; N482-K484 PolarHBondContact O-N 3.17Å; N482-N563 PolarHBondContact O-ND2 3.39Å; N482-H565 HydrophobicContact CB-CB 3.7Å; N482-N569 PolarHBondContact N-ND2 3.3Å
483	H	95.9	Very high	94.1	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.274	C	S	.	.			trans	-77.7	108.1	169.1	174.5	64	0	0	0	106.6	Q481 E493 Y561 T566 N569 R597 F613	Q481-H483 VanDerWaalsContact C-N 3.27Å; Q481-H483 PolarHBondContact O-N 2.89Å; H483-E493 IonicContact CD2-OE2 3.36Å; H483-E493 PolarHBondContact CD2-OE2 3.19Å; H483-E493 IonicContact NE2-OE2 2.59Å; H483-E493 PolarHBondContact NE2-OE2 3.06Å; H483-Y561 AromaticContact CD2-CZ 3.83Å; H483-Y561 PolarHBondContact CD2-OH 3.09Å; H483-Y561 AromaticContact CE1-CD2 3.9Å; H483-Y561 AromaticContact CE1-CE2 3.27Å; H483-Y561 WeakPolarHBondContact CE1-CE2 3.44Å; H483-Y561 AromaticContact CE1-CZ 3.39Å; H483-Y561 AromaticContact ND1-CE2 3.58Å; H483-Y561 AromaticContact ND1-CZ 3.94Å; H483-Y561 AromaticContact NE2-CE1 3.85Å; H483-Y561 AromaticContact NE2-CE2 3.72Å; H483-Y561 AromaticContact NE2-CZ 3.31Å; H483-Y561 VanDerWaalsContact NE2-CZ 3.31Å; H483-Y561 PolarHBondContact NE2-OH 3.21Å; H483-Y561 VanDerWaalsContact NE2-OH 3.16Å; H483-T566 PolarHBondContact ND1-OG1 2.91Å; H483-N569 HydrophobicContact CB-CB 3.97Å; H483-N569 PolarHBondContact N-ND2 2.92Å; H483-R597 PolarHBondContact O-NH1 2.83Å; H483-R597 PolarHBondContact O-NH2 3.16Å; H483-F613 AromaticContact CE1-CE2 3.6Å; H483-F613 AromaticContact CE1-CZ 3.59Å; H483-F613 AromaticContact NE2-CE2 3.57Å; H483-F613 AromaticContact NE2-CZ 3.96Å
484	K	94.9	Very high	94	Very high	85 Å²	85	55.2 Å²	55.2	37%	0.37	28%	0.282	S	S	.	.			trans	-155.7	145.3	-177	58.6	176.5	177.9	141.7	0	108.8	N482 E486 P495 Y561 N563	N482-K484 PolarHBondContact O-N 3.17Å; K484-E486 WeakPolarHBondContact CE-OE1 3.43Å; K484-E486 HydrophobicContact CG-CG 4.36Å; K484-E486 IonicContact NZ-OE1 2.77Å; K484-E486 PolarHBondContact NZ-OE1 3.45Å; K484-E486 PolarHBondContact O-N 2.76Å; K484-P495 HydrophobicContact CB-CG 3.75Å; K484-Y561 WeakPolarHBondContact CA-OH 3.49Å; K484-Y561 WeakPolarHBondContact O-CE2 3.1Å; K484-N563 PolarHBondContact N-ND2 2.86Å; K484-N563 PolarHBondContact O-ND2 3.28Å
485	N	91.9	Very high	93.9	Very high	33 Å²	33	56 Å²	56	18%	0.176	29%	0.287	C	S	.	.			trans	-79.9	111.5	171.5	-169.9	-27.1	0	0	0	108.3	E487 D488 Y491 Y561	N485-E487 PolarHBondContact OD1-N 3.33Å; N485-D488 PolarHBondContact OD1-N 3.26Å; N485-Y491 HydrophobicContact CB-CG 4.3Å; N485-Y561 HydrophobicContact CB-CD1 4.13Å; N485-Y561 HydrophobicContact CB-CD2 4.01Å; N485-Y561 HydrophobicContact CB-CE1 4.18Å; N485-Y561 HydrophobicContact CB-CE2 4.08Å; N485-Y561 HydrophobicContact CB-CG 4.04Å
486	E	85.6	Confident	93.8	Very high	139 Å²	139	59.8 Å²	59.8	65%	0.65	31%	0.305	S	S	*	.	S	Bend	trans	-79.2	-22.6	179.7	-60.4	-154.3	147.3	0	0	112.7	K484	K484-E486 WeakPolarHBondContact CE-OE1 3.43Å; K484-E486 HydrophobicContact CG-CG 4.36Å; K484-E486 IonicContact NZ-OE1 2.77Å; K484-E486 PolarHBondContact NZ-OE1 3.45Å; K484-E486 PolarHBondContact O-N 2.76Å
487	E	87.1	Confident	93.7	Very high	146 Å²	146	57.9 Å²	57.9	68%	0.682	30%	0.297	S	S	*	.	S	Bend	trans	-81.9	-35.7	-179.9	-60	-175.9	172.9	0	0	111.7	N485 N551	N485-E487 PolarHBondContact OD1-N 3.33Å; E487-N551 PolarHBondContact OE1-ND2 2.61Å
488	D	89.5	Confident	93.7	Very high	57 Å²	57	56.9 Å²	56.9	31%	0.305	29%	0.292	S	S	.	.			trans	-126.9	92.1	177.1	-177.5	9.6	0	0	0	111.4	N485 T490 Y491	N485-D488 PolarHBondContact OD1-N 3.26Å; D488-T490 PolarHBondContact O-N 2.7Å; D488-T490 VanDerWaalsContact O-N 3.14Å; D488-T490 VanDerWaalsContact OD1-CA 3.32Å; D488-T490 WeakPolarHBondContact OD1-CA 3.33Å; D488-T490 WeakPolarHBondContact OD1-CB 3.32Å; D488-T490 PolarHBondContact OD1-N 3.23Å; D488-T490 PolarHBondContact OD1-OG1 3.32Å; D488-Y491 VanDerWaalsContact O-CB 3.27Å; D488-Y491 WeakPolarHBondContact O-CB 3.44Å; D488-Y491 PolarHBondContact O-N 3.49Å; D488-Y491 VanDerWaalsContact O-N 3.13Å; D488-Y491 PolarHBondContact OD1-N 3.15Å
489	P	85.2	Confident	93.8	Very high	108 Å²	108	56.3 Å²	56.3	70%	0.701	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.7	173.3	-22	33.9	0	0	0	114	Y491	P489-Y491 VanDerWaalsContact C-N 3.34Å
490	T	87.2	Confident	93.7	Very high	118 Å²	118	55.9 Å²	55.9	72%	0.724	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	0.7	178.2	73.1	0	0	0	0	112.9	D488	D488-T490 PolarHBondContact O-N 2.7Å; D488-T490 VanDerWaalsContact O-N 3.14Å; D488-T490 VanDerWaalsContact OD1-CA 3.32Å; D488-T490 WeakPolarHBondContact OD1-CA 3.33Å; D488-T490 WeakPolarHBondContact OD1-CB 3.32Å; D488-T490 PolarHBondContact OD1-N 3.23Å; D488-T490 PolarHBondContact OD1-OG1 3.32Å
491	Y	92.4	Very high	93.7	Very high	38 Å²	38	55.9 Å²	55.9	15%	0.149	29%	0.286	C	S	.	.			trans	-54.3	134	177.4	-157.6	-99	0	0	0	110.6	N485 D488 P489 E493 N494 Y561 F611	N485-Y491 HydrophobicContact CB-CG 4.3Å; D488-Y491 VanDerWaalsContact O-CB 3.27Å; D488-Y491 WeakPolarHBondContact O-CB 3.44Å; D488-Y491 PolarHBondContact O-N 3.49Å; D488-Y491 VanDerWaalsContact O-N 3.13Å; D488-Y491 PolarHBondContact OD1-N 3.15Å; P489-Y491 VanDerWaalsContact C-N 3.34Å; Y491-E493 HydrophobicContact CD1-CB 4.18Å; Y491-E493 HydrophobicContact CE1-CB 4.26Å; Y491-E493 PolarHBondContact O-N 2.74Å; Y491-N494 PolarHBondContact O-ND2 2.78Å; Y491-N494 VanDerWaalsContact O-ND2 3.1Å; Y491-Y561 AromaticContact CD1-CD1 3.76Å; Y491-Y561 HydrophobicContact CD1-CD1 3.76Å; Y491-Y561 AromaticContact CD1-CE1 3.63Å; Y491-Y561 HydrophobicContact CD1-CE1 3.63Å; Y491-Y561 AromaticContact CE1-CD1 3.47Å; Y491-Y561 HydrophobicContact CE1-CD1 3.47Å; Y491-Y561 VanDerWaalsContact CE1-CD1 3.47Å; Y491-Y561 AromaticContact CE1-CE1 3.66Å; Y491-Y561 HydrophobicContact CE1-CE1 3.66Å; Y491-Y561 HydrophobicContact CG-CD1 4.48Å; Y491-Y561 AromaticContact CZ-CD1 3.97Å; Y491-F611 HydrophobicContact CD1-CE1 4.39Å; Y491-F611 AromaticContact CE1-CD1 3.61Å; Y491-F611 HydrophobicContact CE1-CD1 3.61Å; Y491-F611 AromaticContact CE1-CE1 3.35Å; Y491-F611 HydrophobicContact CE1-CE1 3.35Å; Y491-F611 HydrophobicContact CE1-CZ 4.35Å; Y491-F611 AromaticContact CZ-CE1 3.61Å; Y491-F611 WeakPolarHBondContact OH-CE1 3.44Å
492	P	93.7	Very high	93.8	Very high	44 Å²	44	55.5 Å²	55.5	29%	0.286	28%	0.283	S	S	.	.	S	Bend	trans	-58.4	-47.5	-173	-26.9	34.4	0	0	0	113.2	N494 F611 L739 Y809	P492-N494 PolarHBondContact O-N 3.3Å; P492-N494 VanDerWaalsContact O-N 3.16Å; P492-N494 PolarHBondContact O-ND2 3.37Å; P492-F611 HydrophobicContact CB-CZ 4.37Å; P492-L739 HydrophobicContact CB-CD1 3.54Å; P492-L739 HydrophobicContact CG-CD1 3.93Å; P492-Y809 HydrophobicContact CB-CD1 3.81Å; P492-Y809 HydrophobicContact CB-CE1 4.4Å; P492-Y809 HydrophobicContact CB-CG 4Å; P492-Y809 WeakPolarHBondContact O-CD1 3.26Å
493	E	94.9	Very high	93.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.286	C	S	.	.	S	Bend	trans	-76.1	102.8	173.8	-156.5	-63.2	124.6	0	0	109.4	H483 Y491 R497 Y561 R597 F611 Y809	H483-E493 IonicContact CD2-OE2 3.36Å; H483-E493 PolarHBondContact CD2-OE2 3.19Å; H483-E493 IonicContact NE2-OE2 2.59Å; H483-E493 PolarHBondContact NE2-OE2 3.06Å; Y491-E493 HydrophobicContact CD1-CB 4.18Å; Y491-E493 HydrophobicContact CE1-CB 4.26Å; Y491-E493 PolarHBondContact O-N 2.74Å; E493-R497 IonicContact OE1-NH1 2.65Å; E493-Y561 PolarHBondContact O-OH 3.25Å; E493-Y561 PolarHBondContact OE2-OH 3.43Å; E493-R597 IonicContact OE1-CZ 3.97Å; E493-R597 VanDerWaalsContact OE1-CZ 3.25Å; E493-R597 IonicContact OE1-NE 3.16Å; E493-R597 PolarHBondContact OE1-NE 3.42Å; E493-R597 IonicContact OE1-NH2 3.03Å; E493-R597 PolarHBondContact OE1-NH2 3.49Å; E493-R597 IonicContact OE2-CZ 3.27Å; E493-R597 IonicContact OE2-NE 3.07Å; E493-R597 IonicContact OE2-NH2 2.66Å; E493-R597 PolarHBondContact OE2-NH2 3.05Å; E493-F611 HydrophobicContact CB-CB 4.05Å; E493-F611 HydrophobicContact CB-CD1 3.94Å; E493-F611 HydrophobicContact CB-CD2 4.05Å; E493-F611 HydrophobicContact CB-CE1 4.41Å; E493-F611 HydrophobicContact CB-CE2 4.47Å; E493-F611 HydrophobicContact CB-CG 3.74Å; E493-F611 HydrophobicContact CG-CB 3.84Å; E493-F611 HydrophobicContact CG-CD2 4.4Å; E493-F611 HydrophobicContact CG-CG 4.07Å; E493-Y809 HydrophobicContact CB-CE1 4.36Å
494	N	94.9	Very high	93.9	Very high	30 Å²	30	55.7 Å²	55.7	16%	0.16	29%	0.291	C	S	.	.			trans	-144.2	164.6	-176.4	69.2	64.5	0	0	0	113.3	Y491 P492 E496 R497 R597	Y491-N494 PolarHBondContact O-ND2 2.78Å; Y491-N494 VanDerWaalsContact O-ND2 3.1Å; P492-N494 PolarHBondContact O-N 3.3Å; P492-N494 VanDerWaalsContact O-N 3.16Å; P492-N494 PolarHBondContact O-ND2 3.37Å; N494-E496 VanDerWaalsContact C-N 3.3Å; N494-E496 PolarHBondContact O-N 2.97Å; N494-E496 WeakPolarHBondContact OD1-CB 3.41Å; N494-E496 PolarHBondContact OD1-N 3.4Å; N494-R497 WeakPolarHBondContact O-CB 3.38Å; N494-R497 VanDerWaalsContact O-CG 3.29Å; N494-R497 WeakPolarHBondContact O-CG 3.27Å; N494-R497 PolarHBondContact O-N 3.2Å; N494-R597 PolarHBondContact O-NE 3.11Å
495	P	96.9	Very high	94.1	Very high	21 Å²	21	51.7 Å²	51.7	14%	0.136	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.8	-177.1	-28.4	37.5	0	0	0	116.7	Q481 K484 R497 I498 K499	Q481-P495 HydrophobicContact CB-CB 3.8Å; Q481-P495 HydrophobicContact CB-CG 4.41Å; Q481-P495 HydrophobicContact CG-CB 4Å; Q481-P495 VanDerWaalsContact O-CG 3.22Å; Q481-P495 WeakPolarHBondContact O-CG 3.46Å; K484-P495 HydrophobicContact CB-CG 3.75Å; P495-R497 PolarHBondContact O-N 3.42Å; P495-I498 PolarHBondContact O-N 2.87Å; P495-K499 WeakPolarHBondContact O-CB 3.44Å; P495-K499 PolarHBondContact O-N 2.69Å
496	E	95.7	Very high	94.3	Very high	79 Å²	79	55.4 Å²	55.4	37%	0.369	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-24.7	-176.4	-66.6	-59.7	141.1	0	0	111.6	N494 I498 K499 H500 I811	N494-E496 VanDerWaalsContact C-N 3.3Å; N494-E496 PolarHBondContact O-N 2.97Å; N494-E496 WeakPolarHBondContact OD1-CB 3.41Å; N494-E496 PolarHBondContact OD1-N 3.4Å; E496-I498 PolarHBondContact O-N 2.8Å; E496-K499 PolarHBondContact O-N 2.8Å; E496-K499 IonicContact OE1-NZ 3.66Å; E496-K499 PolarHBondContact OE1-NZ 3.34Å; E496-K499 IonicContact OE2-NZ 3.21Å; E496-K499 PolarHBondContact OE2-NZ 2.75Å; E496-H500 WeakPolarHBondContact O-CB 3.42Å; E496-H500 PolarHBondContact O-N 2.95Å; E496-I811 HydrophobicContact CB-CD1 4.22Å; E496-I811 HydrophobicContact CB-CG1 4.49Å
497	R	97	Very high	94.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-51.4	-49	176.8	-64.1	178.1	67.7	-118.8	-12	113.1	E493 N494 P495 T501 E806 G807 G808 I811 L814	E493-R497 IonicContact OE1-NH1 2.65Å; N494-R497 WeakPolarHBondContact O-CB 3.38Å; N494-R497 VanDerWaalsContact O-CG 3.29Å; N494-R497 WeakPolarHBondContact O-CG 3.27Å; N494-R497 PolarHBondContact O-N 3.2Å; P495-R497 PolarHBondContact O-N 3.42Å; R497-T501 VanDerWaalsContact O-CB 3.26Å; R497-T501 WeakPolarHBondContact O-CB 3.47Å; R497-T501 PolarHBondContact O-OG1 3.05Å; R497-E806 PolarHBondContact NH1-O 3.33Å; R497-E806 PolarHBondContact NH2-O 2.98Å; R497-G807 PolarHBondContact NH2-O 3.02Å; R497-G807 VanDerWaalsContact NH2-O 3.13Å; R497-G808 PolarHBondContact NE-O 3.15Å; R497-G808 PolarHBondContact NH2-O 2.9Å; R497-I811 HydrophobicContact CB-CD1 4.3Å; R497-I811 HydrophobicContact CG-CD1 3.62Å; R497-L814 HydrophobicContact CB-CD2 3.71Å; R497-L814 HydrophobicContact CG-CD2 4.07Å
498	I	98.2	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-88.2	-33.4	178.5	61.6	163.3	0	0	0	112.2	Y476 M480 Q481 P495 E496 Y502 L595 R597 L805	Y476-I498 HydrophobicContact CD2-CB 4.37Å; Y476-I498 HydrophobicContact CD2-CD1 4.43Å; Y476-I498 HydrophobicContact CE2-CB 4.04Å; Y476-I498 HydrophobicContact CE2-CD1 3.89Å; Y476-I498 HydrophobicContact CE2-CG1 4.08Å; M480-I498 HydrophobicContact CB-CD1 3.77Å; M480-I498 HydrophobicContact CE-CD1 4.49Å; Q481-I498 HydrophobicContact CG-CD1 4.03Å; Q481-I498 HydrophobicContact CG-CG1 4.3Å; P495-I498 PolarHBondContact O-N 2.87Å; E496-I498 PolarHBondContact O-N 2.8Å; I498-Y502 VanDerWaalsContact O-CB 3.25Å; I498-Y502 WeakPolarHBondContact O-CB 3.45Å; I498-Y502 PolarHBondContact O-N 2.95Å; I498-L595 HydrophobicContact CB-CG 4.13Å; I498-L595 HydrophobicContact CG2-CD1 4.22Å; I498-L595 HydrophobicContact CG2-CG 4.11Å; I498-R597 HydrophobicContact CD1-CG 3.82Å; I498-R597 HydrophobicContact CG1-CG 4.1Å; I498-R597 HydrophobicContact CG2-CB 4.23Å; I498-R597 HydrophobicContact CG2-CG 3.91Å; I498-L805 HydrophobicContact CG2-CD2 3.87Å
499	K	97.9	Very high	95.3	Very high	89 Å²	89	48.3 Å²	48.3	39%	0.387	26%	0.26	S	S	.	.	H	α-helix	trans	-69.1	-49.4	-174.9	176.4	-177	156.1	-155.3	0	111.3	P495 E496 A503	P495-K499 WeakPolarHBondContact O-CB 3.44Å; P495-K499 PolarHBondContact O-N 2.69Å; E496-K499 PolarHBondContact O-N 2.8Å; E496-K499 IonicContact OE1-NZ 3.66Å; E496-K499 PolarHBondContact OE1-NZ 3.34Å; E496-K499 IonicContact OE2-NZ 3.21Å; E496-K499 PolarHBondContact OE2-NZ 2.75Å; K499-A503 WeakPolarHBondContact O-CB 3.47Å; K499-A503 PolarHBondContact O-N 3.11Å
500	H	97.5	Very high	95.8	Very high	73 Å²	73	43.2 Å²	43.2	34%	0.338	23%	0.228	S	C	.	.	H	α-helix	trans	-65.3	-43.6	177.7	-174.6	-90.6	0	0	0	110.7	E496 Y502 A503 L504 I811 S815	E496-H500 WeakPolarHBondContact O-CB 3.42Å; E496-H500 PolarHBondContact O-N 2.95Å; H500-Y502 PolarHBondContact O-N 3.27Å; H500-A503 WeakPolarHBondContact O-CB 3.47Å; H500-A503 PolarHBondContact O-N 2.96Å; H500-A503 VanDerWaalsContact O-N 3.16Å; H500-L504 PolarHBondContact O-N 3.3Å; H500-I811 HydrophobicContact CB-CG2 3.49Å; H500-I811 VanDerWaalsContact CB-CG2 3.49Å; H500-S815 PolarHBondContact ND1-OG 3.22Å
501	T	98.3	Very high	96.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-47.1	177	-59.9	0	0	0	0	112.2	R497 A503 L504 L505 L595 S815 V818	R497-T501 VanDerWaalsContact O-CB 3.26Å; R497-T501 WeakPolarHBondContact O-CB 3.47Å; R497-T501 PolarHBondContact O-OG1 3.05Å; T501-A503 VanDerWaalsContact C-N 3.29Å; T501-A503 PolarHBondContact O-N 3Å; T501-L504 PolarHBondContact O-N 3.19Å; T501-L505 WeakPolarHBondContact O-CG 3.44Å; T501-L505 PolarHBondContact O-N 3.31Å; T501-L595 HydrophobicContact CG2-CD1 3.61Å; T501-L595 HydrophobicContact CG2-CD2 4.02Å; T501-S815 WeakPolarHBondContact CA-OG 3.37Å; T501-S815 PolarHBondContact N-OG 3.15Å; T501-S815 WeakPolarHBondContact OG1-CA 3.41Å; T501-S815 PolarHBondContact OG1-OG 3.06Å; T501-V818 HydrophobicContact CG2-CB 3.56Å; T501-V818 HydrophobicContact CG2-CG1 3.41Å; T501-V818 VanDerWaalsContact CG2-CG1 3.41Å; T501-V818 HydrophobicContact CG2-CG2 3.94Å
502	Y	98.5	Very high	96.4	Very high	34 Å²	34	47.7 Å²	47.7	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-33.3	177.2	-171	-121.1	0	0	0	112.7	L474 Y476 I498 H500 K506 K511 L595	L474-Y502 HydrophobicContact CD2-CE2 4.23Å; Y476-Y502 AromaticContact CD1-CD1 3.4Å; Y476-Y502 HydrophobicContact CD1-CD1 3.4Å; Y476-Y502 AromaticContact CD1-CD2 3.9Å; Y476-Y502 HydrophobicContact CD1-CD2 3.9Å; Y476-Y502 AromaticContact CD1-CE1 3.34Å; Y476-Y502 HydrophobicContact CD1-CE1 3.34Å; Y476-Y502 AromaticContact CD1-CE2 3.92Å; Y476-Y502 HydrophobicContact CD1-CE2 3.92Å; Y476-Y502 AromaticContact CD1-CG 3.66Å; Y476-Y502 HydrophobicContact CD1-CG 3.66Å; Y476-Y502 AromaticContact CD1-CZ 3.65Å; Y476-Y502 HydrophobicContact CD2-CD1 4.28Å; Y476-Y502 HydrophobicContact CD2-CD2 4.13Å; Y476-Y502 AromaticContact CD2-CG 3.83Å; Y476-Y502 HydrophobicContact CD2-CG 3.83Å; Y476-Y502 AromaticContact CE1-CD1 3.24Å; Y476-Y502 HydrophobicContact CE1-CD1 3.24Å; Y476-Y502 AromaticContact CE1-CE1 3.44Å; Y476-Y502 HydrophobicContact CE1-CE1 3.44Å; Y476-Y502 VanDerWaalsContact CE1-CE1 3.44Å; Y476-Y502 AromaticContact CE1-CG 3.82Å; Y476-Y502 HydrophobicContact CE1-CG 3.82Å; Y476-Y502 HydrophobicContact CE2-CD1 4.13Å; Y476-Y502 AromaticContact CE2-CG 3.95Å; Y476-Y502 HydrophobicContact CE2-CG 3.95Å; Y476-Y502 AromaticContact CG-CD1 3.92Å; Y476-Y502 HydrophobicContact CG-CD1 3.92Å; Y476-Y502 AromaticContact CG-CD2 3.67Å; Y476-Y502 HydrophobicContact CG-CD2 3.67Å; Y476-Y502 HydrophobicContact CG-CE1 4.14Å; Y476-Y502 AromaticContact CG-CE2 3.98Å; Y476-Y502 HydrophobicContact CG-CE2 3.98Å; Y476-Y502 AromaticContact CG-CG 3.65Å; Y476-Y502 HydrophobicContact CG-CG 3.65Å; Y476-Y502 AromaticContact CZ-CD1 3.62Å; Y476-Y502 AromaticContact CZ-CG 3.94Å; I498-Y502 VanDerWaalsContact O-CB 3.25Å; I498-Y502 WeakPolarHBondContact O-CB 3.45Å; I498-Y502 PolarHBondContact O-N 2.95Å; H500-Y502 PolarHBondContact O-N 3.27Å; Y502-K506 HydrophobicContact CD1-CD 4.42Å; Y502-K506 HydrophobicContact CE1-CD 4.27Å; Y502-K506 VanDerWaalsContact CE1-NZ 3.29Å; Y502-K506 WeakPolarHBondContact O-CG 3.27Å; Y502-K506 PolarHBondContact O-N 3.24Å; Y502-K511 HydrophobicContact CE2-CG 3.85Å; Y502-K511 VanDerWaalsContact OH-CE 3.29Å; Y502-K511 WeakPolarHBondContact OH-CE 3.34Å; Y502-L595 HydrophobicContact CD2-CD2 4.24Å; Y502-L595 HydrophobicContact CG-CD2 4.43Å
503	A	98	Very high	96.3	Very high	51 Å²	51	50.2 Å²	50.2	42%	0.421	24%	0.236	S	C	.	.	H	α-helix	trans	-65.7	-43.4	173.1	0	0	0	0	0	111.6	K499 H500 T501 K506 Q507	K499-A503 WeakPolarHBondContact O-CB 3.47Å; K499-A503 PolarHBondContact O-N 3.11Å; H500-A503 WeakPolarHBondContact O-CB 3.47Å; H500-A503 PolarHBondContact O-N 2.96Å; H500-A503 VanDerWaalsContact O-N 3.16Å; T501-A503 VanDerWaalsContact C-N 3.29Å; T501-A503 PolarHBondContact O-N 3Å; A503-K506 WeakPolarHBondContact O-CB 3.25Å; A503-K506 PolarHBondContact O-N 2.92Å; A503-Q507 PolarHBondContact O-N 3.26Å
504	L	97.7	Very high	96.4	Very high	23 Å²	23	50.7 Å²	50.7	12%	0.12	24%	0.24	C	C	.	.	H	α-helix	trans	-62.7	-46.1	175.6	-175.9	64	0	0	0	111.4	H500 T501 K506 Q507 L508 S815 Q816 A819	H500-L504 PolarHBondContact O-N 3.3Å; T501-L504 PolarHBondContact O-N 3.19Å; L504-K506 PolarHBondContact O-N 3.26Å; L504-K506 VanDerWaalsContact O-N 3.16Å; L504-Q507 WeakPolarHBondContact O-CB 3.26Å; L504-Q507 PolarHBondContact O-N 3.43Å; L504-L508 HydrophobicContact CD1-CD1 3.89Å; L504-L508 HydrophobicContact CD1-CD2 4.27Å; L504-L508 HydrophobicContact CD1-CG 3.91Å; L504-L508 HydrophobicContact CD2-CD1 4.33Å; L504-L508 HydrophobicContact CG-CD1 3.76Å; L504-L508 HydrophobicContact CG-CG 4.16Å; L504-L508 WeakPolarHBondContact O-CG 3.3Å; L504-L508 PolarHBondContact O-N 2.92Å; L504-S815 WeakPolarHBondContact CD2-O 3.27Å; L504-Q816 HydrophobicContact CD2-CG 4.47Å; L504-A819 HydrophobicContact CD2-CB 4.25Å
505	L	97.8	Very high	96.4	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-31.6	175.6	-68.4	179.8	0	0	0	112.8	L474 T501 L510 K511 L595 V818 A819 V822	L474-L505 HydrophobicContact CD1-CD1 4.32Å; L474-L505 HydrophobicContact CD2-CD1 4.13Å; T501-L505 WeakPolarHBondContact O-CG 3.44Å; T501-L505 PolarHBondContact O-N 3.31Å; L505-L510 HydrophobicContact CD2-CB 4.2Å; L505-L510 HydrophobicContact CD2-CD1 3.82Å; L505-L510 PolarHBondContact O-N 3.4Å; L505-L510 VanDerWaalsContact O-N 3.1Å; L505-K511 HydrophobicContact CB-CB 4.37Å; L505-K511 PolarHBondContact O-N 3.09Å; L505-L595 HydrophobicContact CD1-CD2 4.37Å; L505-V818 HydrophobicContact CD1-CG1 4.22Å; L505-V818 HydrophobicContact CD2-CG1 4.43Å; L505-A819 HydrophobicContact CD2-CB 4.12Å; L505-V822 HydrophobicContact CD1-CG2 4.46Å; L505-V822 HydrophobicContact CD2-CB 4.1Å; L505-V822 HydrophobicContact CD2-CG1 4.27Å; L505-V822 HydrophobicContact CD2-CG2 4.16Å
506	K	97.3	Very high	96.4	Very high	112 Å²	112	54.5 Å²	54.5	49%	0.487	26%	0.259	S	S	.	.	H	α-helix	trans	-73.1	-46.6	172.5	-74.9	173.1	174.6	173.5	0	112	Y502 A503 L504 L508 G509 K511	Y502-K506 HydrophobicContact CD1-CD 4.42Å; Y502-K506 HydrophobicContact CE1-CD 4.27Å; Y502-K506 VanDerWaalsContact CE1-NZ 3.29Å; Y502-K506 WeakPolarHBondContact O-CG 3.27Å; Y502-K506 PolarHBondContact O-N 3.24Å; A503-K506 WeakPolarHBondContact O-CB 3.25Å; A503-K506 PolarHBondContact O-N 2.92Å; L504-K506 PolarHBondContact O-N 3.26Å; L504-K506 VanDerWaalsContact O-N 3.16Å; K506-L508 VanDerWaalsContact C-N 3.29Å; K506-L508 PolarHBondContact O-N 2.84Å; K506-G509 PolarHBondContact O-N 3.43Å; K506-G509 VanDerWaalsContact O-N 3.08Å; K506-K511 HydrophobicContact CG-CB 4.05Å; K506-K511 HydrophobicContact CG-CD 4.22Å; K506-K511 HydrophobicContact CG-CG 4.06Å
507	Q	95.5	Very high	96.4	Very high	136 Å²	136	52 Å²	52	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-57.9	-43.3	-180	179.9	-179.1	-10.4	0	0	111.3	A503 L504 G509	A503-Q507 PolarHBondContact O-N 3.26Å; L504-Q507 WeakPolarHBondContact O-CB 3.26Å; L504-Q507 PolarHBondContact O-N 3.43Å; Q507-G509 PolarHBondContact O-N 3.03Å
508	L	93.7	Very high	96.4	Very high	33 Å²	33	58.9 Å²	58.9	17%	0.173	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.8	179.2	-56.6	177.9	0	0	0	113.6	F42 L504 K506 L510 A819	F42-L508 HydrophobicContact CB-CD2 3.69Å; F42-L508 HydrophobicContact CD1-CB 4.23Å; F42-L508 HydrophobicContact CD1-CD1 4.06Å; F42-L508 HydrophobicContact CD1-CD2 4.43Å; F42-L508 HydrophobicContact CD1-CG 4.46Å; F42-L508 HydrophobicContact CD2-CD1 3.59Å; F42-L508 HydrophobicContact CD2-CD2 3.62Å; F42-L508 HydrophobicContact CD2-CG 4.14Å; F42-L508 HydrophobicContact CE1-CD1 3.95Å; F42-L508 HydrophobicContact CE2-CD1 3.48Å; F42-L508 VanDerWaalsContact CE2-CD1 3.48Å; F42-L508 HydrophobicContact CE2-CD2 4.37Å; F42-L508 HydrophobicContact CE2-CG 4.49Å; F42-L508 HydrophobicContact CG-CB 4.28Å; F42-L508 HydrophobicContact CG-CD1 3.89Å; F42-L508 HydrophobicContact CG-CD2 3.66Å; F42-L508 HydrophobicContact CG-CG 4.13Å; F42-L508 HydrophobicContact CZ-CD1 3.67Å; L504-L508 HydrophobicContact CD1-CD1 3.89Å; L504-L508 HydrophobicContact CD1-CD2 4.27Å; L504-L508 HydrophobicContact CD1-CG 3.91Å; L504-L508 HydrophobicContact CD2-CD1 4.33Å; L504-L508 HydrophobicContact CG-CD1 3.76Å; L504-L508 HydrophobicContact CG-CG 4.16Å; L504-L508 WeakPolarHBondContact O-CG 3.3Å; L504-L508 PolarHBondContact O-N 2.92Å; K506-L508 VanDerWaalsContact C-N 3.29Å; K506-L508 PolarHBondContact O-N 2.84Å; L508-L510 HydrophobicContact CB-CD1 4.34Å; L508-L510 HydrophobicContact CB-CG 4.09Å; L508-L510 HydrophobicContact CD1-CD1 4.4Å; L508-L510 PolarHBondContact O-N 3.47Å; L508-L510 VanDerWaalsContact O-N 3.09Å; L508-A819 HydrophobicContact CD1-CB 3.76Å
509	G	94	Very high	96.4	Very high	23 Å²	23	59.2 Å²	59.2	24%	0.237	28%	0.283	C	S	.	.	S	Bend	trans	72.6	-4.7	-179.6	0	0	0	0	0	115.9	K506 Q507 K511 R512	K506-G509 PolarHBondContact O-N 3.43Å; K506-G509 VanDerWaalsContact O-N 3.08Å; Q507-G509 PolarHBondContact O-N 3.03Å; G509-K511 PolarHBondContact O-N 2.69Å; G509-R512 WeakPolarHBondContact O-CB 3.33Å; G509-R512 PolarHBondContact O-N 3.24Å; G509-R512 VanDerWaalsContact O-N 3.13Å
510	L	95.6	Very high	96.4	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-59.5	-42.1	-179.5	-59.9	179.2	0	0	0	112.3	F42 L505 L508 R512 R513 C514 A819 V822 A823 L826	F42-L510 HydrophobicContact CE1-CD1 4.03Å; L505-L510 HydrophobicContact CD2-CB 4.2Å; L505-L510 HydrophobicContact CD2-CD1 3.82Å; L505-L510 PolarHBondContact O-N 3.4Å; L505-L510 VanDerWaalsContact O-N 3.1Å; L508-L510 HydrophobicContact CB-CD1 4.34Å; L508-L510 HydrophobicContact CB-CG 4.09Å; L508-L510 HydrophobicContact CD1-CD1 4.4Å; L508-L510 PolarHBondContact O-N 3.47Å; L508-L510 VanDerWaalsContact O-N 3.09Å; L510-R512 PolarHBondContact O-N 2.95Å; L510-R512 VanDerWaalsContact O-N 3.13Å; L510-R513 WeakPolarHBondContact O-CB 3.49Å; L510-R513 PolarHBondContact O-N 2.9Å; L510-C514 PolarHBondContact O-N 2.99Å; L510-C514 VanDerWaalsContact O-N 3.11Å; L510-C514 PolarHBondContact O-SG 2.94Å; L510-C514 VanDerWaalsContact O-SG 3.37Å; L510-A819 HydrophobicContact CD1-CB 4.06Å; L510-A819 WeakPolarHBondContact CD1-O 3.26Å; L510-V822 HydrophobicContact CB-CG1 4.08Å; L510-V822 HydrophobicContact CD1-CB 4.49Å; L510-V822 HydrophobicContact CD1-CG1 4.37Å; L510-A823 HydrophobicContact CD1-CB 4.3Å; L510-A823 HydrophobicContact CD2-CB 4.14Å; L510-L826 HydrophobicContact CB-CD1 4.33Å; L510-L826 HydrophobicContact CD2-CD1 4.01Å
511	K	95.8	Very high	96.4	Very high	66 Å²	66	57.7 Å²	57.7	29%	0.287	27%	0.273	S	S	.	.	H	α-helix	trans	-55.4	-34.7	177	-179	-89.8	176.1	-156.4	0	112.8	L474 Y502 L505 K506 G509 R513 C516	L474-K511 HydrophobicContact CD2-CG 4.34Å; Y502-K511 HydrophobicContact CE2-CG 3.85Å; Y502-K511 VanDerWaalsContact OH-CE 3.29Å; Y502-K511 WeakPolarHBondContact OH-CE 3.34Å; L505-K511 HydrophobicContact CB-CB 4.37Å; L505-K511 PolarHBondContact O-N 3.09Å; K506-K511 HydrophobicContact CG-CB 4.05Å; K506-K511 HydrophobicContact CG-CD 4.22Å; K506-K511 HydrophobicContact CG-CG 4.06Å; G509-K511 PolarHBondContact O-N 2.69Å; K511-R513 VanDerWaalsContact C-N 3.31Å; K511-C516 WeakPolarHBondContact CE-SG 3.41Å
512	R	94.6	Very high	96.4	Very high	184 Å²	184	58 Å²	58	69%	0.694	28%	0.275	S	S	*	.	H	α-helix	trans	-73.8	-25.6	-179.6	-179.1	176.9	62.8	98.3	-2.6	111.8	G509 L510	G509-R512 WeakPolarHBondContact O-CB 3.33Å; G509-R512 PolarHBondContact O-N 3.24Å; G509-R512 VanDerWaalsContact O-N 3.13Å; L510-R512 PolarHBondContact O-N 2.95Å; L510-R512 VanDerWaalsContact O-N 3.13Å
513	R	93.4	Very high	96.4	Very high	96 Å²	96	57.9 Å²	57.9	36%	0.362	28%	0.278	S	S	.	.	H	α-helix	trans	-83.5	-26	177.4	-63.2	170.1	59.7	-167.8	-0.8	112.1	L510 K511 L826 D828	L510-R513 WeakPolarHBondContact O-CB 3.49Å; L510-R513 PolarHBondContact O-N 2.9Å; K511-R513 VanDerWaalsContact C-N 3.31Å; R513-L826 HydrophobicContact CB-CD1 3.85Å; R513-L826 HydrophobicContact CB-CD2 3.86Å; R513-D828 IonicContact CZ-OD1 2.94Å; R513-D828 VanDerWaalsContact CZ-OD1 3.26Å; R513-D828 IonicContact CZ-OD2 3.34Å; R513-D828 IonicContact NH1-OD1 3.44Å; R513-D828 PolarHBondContact NH1-OD1 2.96Å; R513-D828 IonicContact NH1-OD2 2.73Å; R513-D828 PolarHBondContact NH1-OD2 2.71Å; R513-D828 IonicContact NH2-OD1 3.24Å; R513-D828 PolarHBondContact NH2-OD1 3.28Å; R513-D828 IonicContact NH2-OD2 3.13Å
514	C	96.1	Very high	96.4	Very high	11 Å²	11	60.1 Å²	60.1	7%	0.074	28%	0.276	C	S	.	.	S	Bend	trans	-78.8	146.7	174.6	-56.4	0	0	0	0	113.4	T472 L474 L510 C516	T472-C514 CarbonylContact O-C 3.59Å; T472-C514 VanDerWaalsContact O-CA 3.24Å; T472-C514 WeakPolarHBondContact O-CA 3.48Å; T472-C514 WeakPolarHBondContact O-CB 3.2Å; L474-C514 HydrophobicContact CB-CB 3.71Å; L474-C514 HydrophobicContact CD2-CB 4.36Å; L510-C514 PolarHBondContact O-N 2.99Å; L510-C514 VanDerWaalsContact O-N 3.11Å; L510-C514 PolarHBondContact O-SG 2.94Å; L510-C514 VanDerWaalsContact O-SG 3.37Å; C514-C516 PolarHBondContact O-N 3.28Å
515	K	95.7	Very high	96.4	Very high	71 Å²	71	63.6 Å²	63.6	31%	0.309	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	100.3	164.8	-171.1	-179.5	-167.6	178	0	109.2	T472 C473 L474 I517 E583 E588	T472-K515 PolarHBondContact O-N 2.96Å; C473-K515 CarbonylContact C-O 3.52Å; C473-K515 WeakPolarHBondContact CA-O 3.17Å; C473-K515 HydrophobicContact CB-CB 4.3Å; C473-K515 WeakPolarHBondContact CB-O 3.3Å; L474-K515 PolarHBondContact N-O 3.46Å; K515-I517 PolarHBondContact O-N 3.33Å; K515-E583 WeakPolarHBondContact CD-OE1 3.49Å; K515-E583 WeakPolarHBondContact CE-OE1 3.47Å; K515-E583 IonicContact NZ-OE1 2.9Å; K515-E583 PolarHBondContact NZ-OE1 3.44Å; K515-E588 PolarHBondContact NZ-O 3.36Å; K515-E588 IonicContact NZ-OE2 3.38Å; K515-E588 PolarHBondContact NZ-OE2 3.39Å
516	C	96.7	Very high	96.5	Very high	60 Å²	60	64.2 Å²	64.2	41%	0.405	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	118.3	178.3	-63.6	0	0	0	0	110.3	L474 K511 C514	L474-C516 WeakPolarHBondContact O-CA 3.4Å; K511-C516 WeakPolarHBondContact CE-SG 3.41Å; C514-C516 PolarHBondContact O-N 3.28Å
517	I	95.9	Very high	96.6	Very high	27 Å²	27	58.9 Å²	58.9	14%	0.138	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	155.2	178.7	58.9	162.2	0	0	0	111.6	C473 L474 V475 K515 A579 V580 E583	C473-I517 HydrophobicContact CB-CG2 4.21Å; L474-I517 PolarHBondContact O-N 2.87Å; V475-I517 HydrophobicContact CB-CD1 4.13Å; V475-I517 HydrophobicContact CB-CG1 3.8Å; V475-I517 HydrophobicContact CG2-CG1 4.29Å; K515-I517 PolarHBondContact O-N 3.33Å; I517-A579 VanDerWaalsContact CD1-C 3.44Å; I517-A579 HydrophobicContact CD1-CB 3.99Å; I517-A579 WeakPolarHBondContact CD1-O 3.35Å; I517-V580 HydrophobicContact CD1-CB 4.26Å; I517-V580 HydrophobicContact CD1-CG2 3.71Å; I517-E583 HydrophobicContact CD1-CB 4.46Å; I517-E583 HydrophobicContact CG2-CG 4.11Å
518	E	96.5	Very high	96.7	Very high	144 Å²	144	55.3 Å²	55.3	67%	0.673	26%	0.263	S	S	*	.			trans	-78.6	130.7	-177.9	-170.2	178.6	-175.4	0	0	111.1
519	A	97.6	Very high	96.9	Very high	7 Å²	7	55.8 Å²	55.8	6%	0.058	26%	0.262	C	S	.	.			trans	-70.1	144	172.3	0	0	0	0	0	111.5	V475 D477 L572 S576	V475-A519 HydrophobicContact CG2-CB 3.86Å; D477-A519 HydrophobicContact CB-CB 3.63Å; D477-A519 WeakPolarHBondContact OD2-CB 3.3Å; A519-L572 HydrophobicContact CB-CD1 3.95Å; A519-S576 WeakPolarHBondContact CB-OG 3.32Å
520	R	97.7	Very high	97.1	Very high	36 Å²	36	55.4 Å²	55.4	14%	0.136	26%	0.255	C	S	.	.			trans	-133.2	160.4	175.9	67	176.2	-177.3	89.8	-14.2	110.9	E526 G575 S576 L578 A579 D582	R520-E526 IonicContact CZ-OE1 2.73Å; R520-E526 IonicContact CZ-OE2 3.74Å; R520-E526 IonicContact NH1-OE1 3.31Å; R520-E526 PolarHBondContact NH1-OE1 2.99Å; R520-E526 VanDerWaalsContact NH1-OE1 3.15Å; R520-E526 IonicContact NH1-OE2 3.14Å; R520-E526 PolarHBondContact NH1-OE2 3.42Å; R520-E526 IonicContact NH2-OE1 2.82Å; R520-E526 PolarHBondContact NH2-OE1 3.34Å; R520-G575 VanDerWaalsContact CG-O 3.23Å; R520-G575 WeakPolarHBondContact CG-O 3.4Å; R520-G575 CarbonylContact O-C 3.51Å; R520-G575 WeakPolarHBondContact O-CA 3.42Å; R520-S576 PolarHBondContact O-N 3.5Å; R520-L578 VanDerWaalsContact NH2-CB 3.29Å; R520-A579 HydrophobicContact CG-CB 4.38Å; R520-D582 IonicContact CZ-OD2 3.43Å; R520-D582 IonicContact NE-OD2 3.24Å; R520-D582 IonicContact NH2-OD2 2.81Å; R520-D582 PolarHBondContact NH2-OD2 3.42Å; R520-D582 VanDerWaalsContact NH2-OD2 3.14Å
521	Y	98.5	Very high	97.3	Very high	94 Å²	94	55.6 Å²	55.6	37%	0.369	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-76.3	141.4	168.2	-62.8	-78.3	0	0	0	110.1	R479 D568 L571 L572	R479-Y521 VanDerWaalsContact NH1-CE2 3.32Å; R479-Y521 PolarHBondContact NH1-OH 3.49Å; R479-Y521 VanDerWaalsContact NH1-OH 3.08Å; Y521-D568 WeakPolarHBondContact CD1-O 3.49Å; Y521-D568 HydrophobicContact CE1-CB 4.25Å; Y521-D568 VanDerWaalsContact CE1-O 3.24Å; Y521-D568 WeakPolarHBondContact CE1-O 3.17Å; Y521-L571 HydrophobicContact CD1-CB 3.79Å; Y521-L572 HydrophobicContact CD1-CB 3.94Å; Y521-L572 HydrophobicContact CD1-CD1 4.3Å; Y521-L572 HydrophobicContact CE1-CB 3.87Å; Y521-L572 HydrophobicContact CE1-CD1 4.28Å; Y521-L572 HydrophobicContact CE1-CG 4.47Å
522	A	98.5	Very high	97.4	Very high	6 Å²	6	55.1 Å²	55.1	5%	0.05	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-65.9	138.4	164.9	0	0	0	0	0	109.5	L527 L571	A522-L527 HydrophobicContact CB-CD2 3.9Å; A522-L571 PolarHBondContact N-O 3.32Å
523	T	98.4	Very high	97.6	Very high	33 Å²	33	51.5 Å²	51.5	20%	0.202	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-79.7	157.4	172.9	65.6	0	0	0	0	110	T525 E526 L527	T523-T525 PolarHBondContact O-N 3.37Å; T523-E526 PolarHBondContact N-OE2 2.73Å; T523-E526 WeakPolarHBondContact O-CB 3.35Å; T523-E526 PolarHBondContact O-N 3.41Å; T523-E526 WeakPolarHBondContact OG1-CG 3.49Å; T523-E526 PolarHBondContact OG1-N 2.76Å; T523-E526 PolarHBondContact OG1-OE2 2.9Å; T523-L527 PolarHBondContact O-N 2.71Å
524	R	98.1	Very high	97.8	Very high	97 Å²	97	54.3 Å²	54.3	37%	0.366	27%	0.267	S	S	.	.	H	α-helix	trans	-54.6	-41.4	176.6	-170	175.5	-171.4	-85.8	1	112.7	E526 L527 L528 E533 V536 N537	R524-E526 VanDerWaalsContact C-N 3.25Å; R524-E526 PolarHBondContact O-N 2.89Å; R524-L527 PolarHBondContact O-N 2.96Å; R524-L528 HydrophobicContact CG-CD1 4.34Å; R524-L528 WeakPolarHBondContact O-CG 3.41Å; R524-L528 PolarHBondContact O-N 3.29Å; R524-L528 VanDerWaalsContact O-N 3.12Å; R524-E533 IonicContact CZ-OE1 3.32Å; R524-E533 VanDerWaalsContact CZ-OE1 3.24Å; R524-E533 IonicContact NH1-OE1 3.61Å; R524-E533 PolarHBondContact NH1-OE1 2.91Å; R524-E533 IonicContact NH2-OE1 3.03Å; R524-E533 PolarHBondContact NH2-OE1 3.28Å; R524-V536 HydrophobicContact CG-CG1 4.29Å; R524-N537 PolarHBondContact NH2-OD1 2.72Å
525	T	98.1	Very high	97.9	Very high	96 Å²	96	54.3 Å²	54.3	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-60.6	-34.6	177.2	-54.2	0	0	0	0	112.4	T523	T523-T525 PolarHBondContact O-N 3.37Å
526	E	98.6	Very high	98	Very high	14 Å²	14	51 Å²	51	7%	0.065	25%	0.251	C	S	.	.	H	α-helix	trans	-72.2	-39.8	178.4	-66.1	169.7	128.3	0	0	111.5	R520 T523 R524 R529 L578 I619 H623	R520-E526 IonicContact CZ-OE1 2.73Å; R520-E526 IonicContact CZ-OE2 3.74Å; R520-E526 IonicContact NH1-OE1 3.31Å; R520-E526 PolarHBondContact NH1-OE1 2.99Å; R520-E526 VanDerWaalsContact NH1-OE1 3.15Å; R520-E526 IonicContact NH1-OE2 3.14Å; R520-E526 PolarHBondContact NH1-OE2 3.42Å; R520-E526 IonicContact NH2-OE1 2.82Å; R520-E526 PolarHBondContact NH2-OE1 3.34Å; T523-E526 PolarHBondContact N-OE2 2.73Å; T523-E526 WeakPolarHBondContact O-CB 3.35Å; T523-E526 PolarHBondContact O-N 3.41Å; T523-E526 WeakPolarHBondContact OG1-CG 3.49Å; T523-E526 PolarHBondContact OG1-N 2.76Å; T523-E526 PolarHBondContact OG1-OE2 2.9Å; R524-E526 VanDerWaalsContact C-N 3.25Å; R524-E526 PolarHBondContact O-N 2.89Å; E526-R529 WeakPolarHBondContact O-CB 3.27Å; E526-R529 VanDerWaalsContact O-CG 3.31Å; E526-R529 WeakPolarHBondContact O-CG 3.28Å; E526-R529 PolarHBondContact O-N 3.05Å; E526-L578 HydrophobicContact CB-CD1 3.96Å; E526-L578 VanDerWaalsContact CD-CD1 3.45Å; E526-L578 HydrophobicContact CG-CD1 4.07Å; E526-L578 VanDerWaalsContact OE1-CD1 3.31Å; E526-L578 WeakPolarHBondContact OE1-CD1 3.49Å; E526-I619 HydrophobicContact CB-CG2 4.47Å; E526-H623 IonicContact OE1-CE1 2.73Å; E526-H623 PolarHBondContact OE1-CE1 3.5Å; E526-H623 IonicContact OE1-ND1 2.64Å; E526-H623 PolarHBondContact OE1-ND1 3.47Å
527	L	98.6	Very high	98.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-43.3	175.5	-59.9	-175.3	0	0	0	112.4	A522 T523 R524 R529 V530 H531 V536 L571 F614 I619	A522-L527 HydrophobicContact CB-CD2 3.9Å; T523-L527 PolarHBondContact O-N 2.71Å; R524-L527 PolarHBondContact O-N 2.96Å; L527-R529 PolarHBondContact O-N 2.67Å; L527-V530 PolarHBondContact O-N 3.03Å; L527-H531 PolarHBondContact O-N 3.08Å; L527-H531 VanDerWaalsContact O-N 3.08Å; L527-V536 HydrophobicContact CB-CG2 3.98Å; L527-V536 HydrophobicContact CD1-CG1 3.87Å; L527-V536 HydrophobicContact CD1-CG2 4.35Å; L527-L571 HydrophobicContact CD1-CD2 3.56Å; L527-L571 HydrophobicContact CD2-CD2 4.26Å; L527-L571 HydrophobicContact CG-CD2 4.24Å; L527-F614 HydrophobicContact CD1-CD1 4.47Å; L527-F614 HydrophobicContact CD1-CD2 4.32Å; L527-F614 HydrophobicContact CD1-CE1 3.96Å; L527-F614 HydrophobicContact CD1-CE2 3.79Å; L527-F614 HydrophobicContact CD1-CZ 3.59Å; L527-F614 HydrophobicContact CD2-CB 4.44Å; L527-F614 HydrophobicContact CD2-CD1 4.28Å; L527-F614 HydrophobicContact CD2-CD2 3.89Å; L527-F614 HydrophobicContact CD2-CE2 4.22Å; L527-F614 HydrophobicContact CD2-CG 3.95Å; L527-I619 HydrophobicContact CD2-CD1 3.78Å
528	L	98.6	Very high	98.2	Very high	61 Å²	61	53 Å²	53	32%	0.319	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-3.3	-179	-69.9	178.2	0	0	0	114.4	R524 V530 E533 V536	R524-L528 HydrophobicContact CG-CD1 4.34Å; R524-L528 WeakPolarHBondContact O-CG 3.41Å; R524-L528 PolarHBondContact O-N 3.29Å; R524-L528 VanDerWaalsContact O-N 3.12Å; L528-V530 PolarHBondContact O-N 3.32Å; L528-E533 HydrophobicContact CD2-CB 3.94Å; L528-V536 HydrophobicContact CD2-CB 4.34Å; L528-V536 HydrophobicContact CD2-CG2 4.02Å
529	R	98.2	Very high	98.2	Very high	43 Å²	43	46.1 Å²	46.1	16%	0.162	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.6	173.8	-66.3	176.9	174	153.9	-6	112.9	E526 L527 R622 H623	E526-R529 WeakPolarHBondContact O-CB 3.27Å; E526-R529 VanDerWaalsContact O-CG 3.31Å; E526-R529 WeakPolarHBondContact O-CG 3.28Å; E526-R529 PolarHBondContact O-N 3.05Å; L527-R529 PolarHBondContact O-N 2.67Å; R529-R622 HydrophobicContact CB-CB 3.74Å; R529-R622 HydrophobicContact CB-CG 4.29Å; R529-R622 HydrophobicContact CG-CB 4.44Å; R529-H623 PolarHBondContact NH1-ND1 3.27Å
530	V	98.4	Very high	98.2	Very high	15 Å²	15	46.8 Å²	46.8	9%	0.091	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-28.4	-179.8	-56.1	0	0	0	0	112.9	L527 L528 A618 I619 R622 I649	L527-V530 PolarHBondContact O-N 3.03Å; L528-V530 PolarHBondContact O-N 3.32Å; V530-A618 HydrophobicContact CG1-CB 4.03Å; V530-I619 HydrophobicContact CG2-CD1 4.34Å; V530-I619 HydrophobicContact CG2-CG1 3.45Å; V530-I619 VanDerWaalsContact CG2-CG1 3.45Å; V530-R622 HydrophobicContact CG1-CB 4.26Å; V530-R622 HydrophobicContact CG1-CG 3.52Å; V530-I649 HydrophobicContact CB-CD1 4.16Å; V530-I649 HydrophobicContact CB-CG2 4.06Å; V530-I649 HydrophobicContact CG1-CG2 3.96Å; V530-I649 HydrophobicContact CG2-CD1 4.32Å
531	H	98.7	Very high	98.1	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.028	24%	0.244	C	C	.	.	S	Bend	trans	-96.9	148.2	-177.9	-68.7	-62.5	0	0	0	112.6	L527 Y535 V536 L604 K605 F614 N615	L527-H531 PolarHBondContact O-N 3.08Å; L527-H531 VanDerWaalsContact O-N 3.08Å; H531-Y535 HydrophobicContact CB-CD1 4.01Å; H531-Y535 AromaticContact CG-CD1 3.96Å; H531-Y535 AromaticContact ND1-CD1 3.72Å; H531-Y535 AromaticContact ND1-CE1 3.64Å; H531-V536 HydrophobicContact CB-CG2 3.76Å; H531-L604 PolarHBondContact CE1-O 2.87Å; H531-L604 PolarHBondContact ND1-O 3.46Å; H531-K605 CarbonylContact C-O 3.53Å; H531-K605 VanDerWaalsContact CA-O 3.25Å; H531-K605 WeakPolarHBondContact CA-O 3.42Å; H531-K605 PolarHBondContact ND1-O 3.37Å; H531-F614 AromaticContact CD2-CD1 3.66Å; H531-F614 WeakPolarHBondContact NE2-CA 3.44Å; H531-F614 AromaticContact NE2-CD1 3.83Å; H531-N615 PolarHBondContact NE2-N 3.14Å
532	T	98.4	Very high	98	Very high	56 Å²	56	43 Å²	43	34%	0.344	23%	0.226	S	C	.	.			trans	-68.2	150.8	175	69.4	0	0	0	0	111.1	E534 Y535 V536 K605 D606	T532-E534 VanDerWaalsContact C-N 3.3Å; T532-E534 PolarHBondContact O-N 3.42Å; T532-Y535 PolarHBondContact O-N 2.82Å; T532-Y535 WeakPolarHBondContact OG1-CB 3.28Å; T532-Y535 PolarHBondContact OG1-N 3.14Å; T532-V536 WeakPolarHBondContact O-CG2 3.43Å; T532-V536 PolarHBondContact O-N 3.48Å; T532-K605 HydrophobicContact CG2-CB 4.47Å; T532-K605 PolarHBondContact N-O 3.37Å; T532-D606 HydrophobicContact CG2-CB 4.06Å
533	E	98.4	Very high	97.8	Very high	109 Å²	109	45.1 Å²	45.1	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-39.3	178.2	172.6	150.2	-121.3	0	0	112.5	R524 L528 V536 N537	R524-E533 IonicContact CZ-OE1 3.32Å; R524-E533 VanDerWaalsContact CZ-OE1 3.24Å; R524-E533 IonicContact NH1-OE1 3.61Å; R524-E533 PolarHBondContact NH1-OE1 2.91Å; R524-E533 IonicContact NH2-OE1 3.03Å; R524-E533 PolarHBondContact NH2-OE1 3.28Å; L528-E533 HydrophobicContact CD2-CB 3.94Å; E533-V536 PolarHBondContact O-N 2.95Å; E533-N537 WeakPolarHBondContact O-CB 3.34Å; E533-N537 PolarHBondContact O-N 3.21Å; E533-N537 PolarHBondContact O-ND2 3.09Å; E533-N537 VanDerWaalsContact O-ND2 3.16Å
534	E	98.4	Very high	97.6	Very high	155 Å²	155	50.3 Å²	50.3	72%	0.724	27%	0.265	S	S	*	.	H	α-helix	trans	-60.1	-45.7	175.7	-178	172.6	-174	0	0	111.9	T532 N537 T538	T532-E534 VanDerWaalsContact C-N 3.3Å; T532-E534 PolarHBondContact O-N 3.42Å; E534-N537 PolarHBondContact O-N 2.91Å; E534-T538 WeakPolarHBondContact O-CB 3.33Å; E534-T538 PolarHBondContact O-N 2.78Å; E534-T538 PolarHBondContact O-OG1 2.84Å
535	Y	98.2	Very high	97.4	Very high	10 Å²	10	48.6 Å²	48.6	4%	0.039	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-45.7	179.1	176.2	-112.3	0	0	0	112.5	H531 T532 N537 T538 I539 D606 R607 C608 F613 F614	H531-Y535 HydrophobicContact CB-CD1 4.01Å; H531-Y535 AromaticContact CG-CD1 3.96Å; H531-Y535 AromaticContact ND1-CD1 3.72Å; H531-Y535 AromaticContact ND1-CE1 3.64Å; T532-Y535 PolarHBondContact O-N 2.82Å; T532-Y535 WeakPolarHBondContact OG1-CB 3.28Å; T532-Y535 PolarHBondContact OG1-N 3.14Å; Y535-N537 VanDerWaalsContact C-N 3.27Å; Y535-N537 PolarHBondContact O-N 2.89Å; Y535-T538 WeakPolarHBondContact O-CB 3.43Å; Y535-T538 PolarHBondContact O-N 3.02Å; Y535-I539 HydrophobicContact CD2-CD1 4.42Å; Y535-I539 HydrophobicContact CD2-CG1 4.06Å; Y535-I539 HydrophobicContact CE1-CG1 4.07Å; Y535-I539 HydrophobicContact CE2-CD1 3.64Å; Y535-I539 HydrophobicContact CE2-CG1 3.53Å; Y535-I539 PolarHBondContact O-N 3.03Å; Y535-D606 WeakPolarHBondContact CD2-O 3.22Å; Y535-R607 VanDerWaalsContact CE2-CA 3.46Å; Y535-C608 WeakPolarHBondContact OH-CA 3.35Å; Y535-C608 WeakPolarHBondContact OH-CB 3.36Å; Y535-C608 PolarHBondContact OH-N 2.87Å; Y535-C608 VanDerWaalsContact OH-N 3.11Å; Y535-F613 WeakPolarHBondContact CE1-O 3.39Å; Y535-F613 PolarHBondContact OH-O 2.89Å; Y535-F614 HydrophobicContact CE1-CD1 4.19Å; Y535-F614 HydrophobicContact CE1-CE1 4.16Å
536	V	98.5	Very high	97.3	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-41.1	176	172.9	0	0	0	0	111.1	R524 L527 L528 H531 T532 E533 A540 F614	R524-V536 HydrophobicContact CG-CG1 4.29Å; L527-V536 HydrophobicContact CB-CG2 3.98Å; L527-V536 HydrophobicContact CD1-CG1 3.87Å; L527-V536 HydrophobicContact CD1-CG2 4.35Å; L528-V536 HydrophobicContact CD2-CB 4.34Å; L528-V536 HydrophobicContact CD2-CG2 4.02Å; H531-V536 HydrophobicContact CB-CG2 3.76Å; T532-V536 WeakPolarHBondContact O-CG2 3.43Å; T532-V536 PolarHBondContact O-N 3.48Å; E533-V536 PolarHBondContact O-N 2.95Å; V536-A540 WeakPolarHBondContact O-CB 3.48Å; V536-A540 PolarHBondContact O-N 3.33Å; V536-F614 HydrophobicContact CG2-CE1 4.32Å
537	N	98.1	Very high	97.1	Very high	77 Å²	77	54.2 Å²	54.2	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-65.1	-40.4	175.7	-68.7	-22.3	0	0	0	112	R524 E533 E534 Y535 A540 S541	R524-N537 PolarHBondContact NH2-OD1 2.72Å; E533-N537 WeakPolarHBondContact O-CB 3.34Å; E533-N537 PolarHBondContact O-N 3.21Å; E533-N537 PolarHBondContact O-ND2 3.09Å; E533-N537 VanDerWaalsContact O-ND2 3.16Å; E534-N537 PolarHBondContact O-N 2.91Å; Y535-N537 VanDerWaalsContact C-N 3.27Å; Y535-N537 PolarHBondContact O-N 2.89Å; N537-A540 PolarHBondContact O-N 3.35Å; N537-S541 WeakPolarHBondContact O-CB 3.41Å; N537-S541 PolarHBondContact O-N 3.34Å
538	T	97	Very high	96.8	Very high	52 Å²	52	59.1 Å²	59.1	32%	0.319	31%	0.312	S	S	.	.	H	α-helix	trans	-60.9	-53.6	178	-60.3	0	0	0	0	110.6	E534 Y535 A540 S541 F553	E534-T538 WeakPolarHBondContact O-CB 3.33Å; E534-T538 PolarHBondContact O-N 2.78Å; E534-T538 PolarHBondContact O-OG1 2.84Å; Y535-T538 WeakPolarHBondContact O-CB 3.43Å; Y535-T538 PolarHBondContact O-N 3.02Å; T538-A540 VanDerWaalsContact C-N 3.34Å; T538-A540 PolarHBondContact O-N 2.89Å; T538-S541 WeakPolarHBondContact O-CB 3.27Å; T538-S541 PolarHBondContact O-N 3.21Å; T538-S541 VanDerWaalsContact O-N 3.15Å; T538-S541 PolarHBondContact O-OG 2.87Å; T538-F553 HydrophobicContact CG2-CE2 4.16Å; T538-F553 HydrophobicContact CG2-CZ 3.78Å
539	I	97.4	Very high	96.6	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.7	-39.9	178	-57.1	-57.8	0	0	0	111.1	Y535 S541 T542 F553 F562 Y567 F614	Y535-I539 HydrophobicContact CD2-CD1 4.42Å; Y535-I539 HydrophobicContact CD2-CG1 4.06Å; Y535-I539 HydrophobicContact CE1-CG1 4.07Å; Y535-I539 HydrophobicContact CE2-CD1 3.64Å; Y535-I539 HydrophobicContact CE2-CG1 3.53Å; Y535-I539 PolarHBondContact O-N 3.03Å; I539-S541 VanDerWaalsContact C-N 3.26Å; I539-S541 PolarHBondContact O-N 3.39Å; I539-T542 WeakPolarHBondContact O-CB 3.34Å; I539-T542 WeakPolarHBondContact O-CG2 3.44Å; I539-T542 PolarHBondContact O-N 3.25Å; I539-T542 PolarHBondContact O-OG1 3.04Å; I539-F553 HydrophobicContact CD1-CE1 4.3Å; I539-F562 HydrophobicContact CD1-CE1 4.28Å; I539-F562 HydrophobicContact CD1-CZ 4.15Å; I539-Y567 HydrophobicContact CG2-CD2 3.89Å; I539-F614 HydrophobicContact CB-CE1 4.39Å; I539-F614 HydrophobicContact CB-CZ 4.1Å; I539-F614 HydrophobicContact CG2-CE1 4.45Å; I539-F614 HydrophobicContact CG2-CE2 4.37Å; I539-F614 HydrophobicContact CG2-CZ 3.86Å
540	A	97.2	Very high	96.5	Very high	22 Å²	22	56.1 Å²	56.1	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-31.3	176.3	0	0	0	0	0	113.2	V536 N537 T538 T542 V543 Y567	V536-A540 WeakPolarHBondContact O-CB 3.48Å; V536-A540 PolarHBondContact O-N 3.33Å; N537-A540 PolarHBondContact O-N 3.35Å; T538-A540 VanDerWaalsContact C-N 3.34Å; T538-A540 PolarHBondContact O-N 2.89Å; A540-T542 PolarHBondContact O-N 2.97Å; A540-V543 WeakPolarHBondContact O-CG1 3.4Å; A540-Y567 HydrophobicContact CB-CD2 4.41Å; A540-Y567 HydrophobicContact CB-CE1 3.94Å; A540-Y567 HydrophobicContact CB-CE2 3.76Å; A540-Y567 VanDerWaalsContact CB-CZ 3.48Å
541	S	96.3	Very high	96.3	Very high	49 Å²	49	57.7 Å²	57.7	34%	0.343	31%	0.313	S	S	.	.	H	α-helix	trans	-67.9	-24.3	179.3	77.7	0	0	0	0	113.2	N537 T538 I539 V543 N544 M545	N537-S541 WeakPolarHBondContact O-CB 3.41Å; N537-S541 PolarHBondContact O-N 3.34Å; T538-S541 WeakPolarHBondContact O-CB 3.27Å; T538-S541 PolarHBondContact O-N 3.21Å; T538-S541 VanDerWaalsContact O-N 3.15Å; T538-S541 PolarHBondContact O-OG 2.87Å; I539-S541 VanDerWaalsContact C-N 3.26Å; I539-S541 PolarHBondContact O-N 3.39Å; S541-V543 PolarHBondContact O-N 2.94Å; S541-V543 VanDerWaalsContact O-N 3.17Å; S541-N544 PolarHBondContact O-N 3.1Å; S541-N544 VanDerWaalsContact O-N 3.09Å; S541-M545 WeakPolarHBondContact OG-CE 3.46Å
542	T	95.9	Very high	96.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-59.3	-28.4	-179.4	66.9	0	0	0	0	112.7	I539 A540 N544 M545 L550 F553 F562	I539-T542 WeakPolarHBondContact O-CB 3.34Å; I539-T542 WeakPolarHBondContact O-CG2 3.44Å; I539-T542 PolarHBondContact O-N 3.25Å; I539-T542 PolarHBondContact O-OG1 3.04Å; A540-T542 PolarHBondContact O-N 2.97Å; T542-N544 PolarHBondContact O-N 2.68Å; T542-N544 VanDerWaalsContact O-N 3.09Å; T542-M545 HydrophobicContact CG2-CE 4.34Å; T542-M545 HydrophobicContact CG2-SD 4.32Å; T542-M545 PolarHBondContact O-N 2.93Å; T542-M545 VanDerWaalsContact O-N 3.07Å; T542-L550 HydrophobicContact CG2-CD2 4.32Å; T542-L550 WeakPolarHBondContact O-CD2 3.36Å; T542-F553 HydrophobicContact CG2-CD1 3.99Å; T542-F553 HydrophobicContact CG2-CE1 3.9Å; T542-F562 HydrophobicContact CG2-CD1 4.01Å; T542-F562 HydrophobicContact CG2-CE1 3.93Å
543	V	94.7	Very high	95.9	Very high	52 Å²	52	62.5 Å²	62.5	32%	0.315	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-59.7	-25.1	178	76.9	0	0	0	0	113.4	A540 S541 Y567	A540-V543 WeakPolarHBondContact O-CG1 3.4Å; S541-V543 PolarHBondContact O-N 2.94Å; S541-V543 VanDerWaalsContact O-N 3.17Å; V543-Y567 HydrophobicContact CB-CD1 4.36Å
544	N	93.3	Very high	95.6	Very high	142 Å²	142	57.5 Å²	57.5	76%	0.759	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-102.4	3.9	-178.4	-59.1	-57.5	0	0	0	113.1	S541 T542	S541-N544 PolarHBondContact O-N 3.1Å; S541-N544 VanDerWaalsContact O-N 3.09Å; T542-N544 PolarHBondContact O-N 2.68Å; T542-N544 VanDerWaalsContact O-N 3.09Å
545	M	95.4	Very high	95.3	Very high	60 Å²	60	54.3 Å²	54.3	30%	0.296	31%	0.312	S	S	.	.	S	Bend	trans	-85.4	144.5	-180	-66.5	-177.5	-172.9	0	0	111.1	S541 T542 A549 L550	S541-M545 WeakPolarHBondContact OG-CE 3.46Å; T542-M545 HydrophobicContact CG2-CE 4.34Å; T542-M545 HydrophobicContact CG2-SD 4.32Å; T542-M545 PolarHBondContact O-N 2.93Å; T542-M545 VanDerWaalsContact O-N 3.07Å; M545-A549 HydrophobicContact CB-CB 4.31Å; M545-L550 HydrophobicContact CB-CD2 3.66Å; M545-L550 HydrophobicContact CB-CG 3.79Å; M545-L550 HydrophobicContact CG-CD2 4.32Å; M545-L550 HydrophobicContact SD-CD2 3.97Å
546	E	94.5	Very high	95	Very high	151 Å²	151	57.8 Å²	57.8	71%	0.706	34%	0.338	S	S	*	.			trans	-65.6	150.4	166.8	-66.8	-64.3	152	0	0	110.4	T548 A549 L550	E546-T548 PolarHBondContact O-N 3.4Å; E546-T548 VanDerWaalsContact O-N 3.11Å; E546-A549 WeakPolarHBondContact O-CB 3.25Å; E546-A549 PolarHBondContact O-N 3.31Å; E546-L550 PolarHBondContact O-N 2.73Å
547	Q	94.3	Very high	94.8	Very high	77 Å²	77	59.7 Å²	59.7	36%	0.36	35%	0.347	S	S	.	.	H	α-helix	trans	-57.8	-32.2	-174.2	-171.6	60.3	54.4	0	0	113.3	L550 N551 F562	Q547-L550 WeakPolarHBondContact O-CB 3.27Å; Q547-L550 PolarHBondContact O-N 3.2Å; Q547-N551 PolarHBondContact NE2-OD1 3.19Å; Q547-N551 PolarHBondContact O-N 3.48Å; Q547-N551 PolarHBondContact O-OD1 2.88Å; Q547-F562 PolarHBondContact NE2-O 3.38Å
548	T	93.7	Very high	94.5	Very high	103 Å²	103	59.8 Å²	59.8	63%	0.632	35%	0.348	S	S	*	.	H	α-helix	trans	-64.8	-42.4	175	52.2	0	0	0	0	112.2	E546 L550 N551 D552	E546-T548 PolarHBondContact O-N 3.4Å; E546-T548 VanDerWaalsContact O-N 3.11Å; T548-L550 VanDerWaalsContact C-N 3.33Å; T548-N551 PolarHBondContact O-N 2.98Å; T548-D552 PolarHBondContact O-N 3.45Å
549	A	94.8	Very high	94.2	Very high	41 Å²	41	59.7 Å²	59.7	34%	0.339	35%	0.349	S	S	.	.	H	α-helix	trans	-68.9	-33.4	176.3	0	0	0	0	0	111.7	M545 E546 D552 F553	M545-A549 HydrophobicContact CB-CB 4.31Å; E546-A549 WeakPolarHBondContact O-CB 3.25Å; E546-A549 PolarHBondContact O-N 3.31Å; A549-D552 PolarHBondContact O-N 3.41Å; A549-F553 WeakPolarHBondContact O-CB 3.19Å; A549-F553 PolarHBondContact O-N 3.47Å
550	L	95.3	Very high	94.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-41.5	172	-71.6	-179.8	0	0	0	112.5	T542 M545 E546 Q547 T548 F553 G554 F562	T542-L550 HydrophobicContact CG2-CD2 4.32Å; T542-L550 WeakPolarHBondContact O-CD2 3.36Å; M545-L550 HydrophobicContact CB-CD2 3.66Å; M545-L550 HydrophobicContact CB-CG 3.79Å; M545-L550 HydrophobicContact CG-CD2 4.32Å; M545-L550 HydrophobicContact SD-CD2 3.97Å; E546-L550 PolarHBondContact O-N 2.73Å; Q547-L550 WeakPolarHBondContact O-CB 3.27Å; Q547-L550 PolarHBondContact O-N 3.2Å; T548-L550 VanDerWaalsContact C-N 3.33Å; L550-F553 PolarHBondContact O-N 3.27Å; L550-G554 PolarHBondContact O-N 2.86Å; L550-F562 HydrophobicContact CB-CB 3.91Å; L550-F562 HydrophobicContact CD2-CB 3.85Å; L550-F562 HydrophobicContact CD2-CG 4.5Å; L550-F562 HydrophobicContact CG-CB 4.33Å
551	N	93.7	Very high	93.9	Very high	48 Å²	48	60.1 Å²	60.1	26%	0.257	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-45.1	175.9	-69.7	-3.2	0	0	0	110.9	E487 Q547 T548 F553 G554 A555	E487-N551 PolarHBondContact OE1-ND2 2.61Å; Q547-N551 PolarHBondContact NE2-OD1 3.19Å; Q547-N551 PolarHBondContact O-N 3.48Å; Q547-N551 PolarHBondContact O-OD1 2.88Å; T548-N551 PolarHBondContact O-N 2.98Å; N551-F553 VanDerWaalsContact C-N 3.35Å; N551-F553 PolarHBondContact O-N 2.93Å; N551-G554 PolarHBondContact O-N 3.35Å; N551-A555 VanDerWaalsContact O-CB 3.25Å; N551-A555 WeakPolarHBondContact O-CB 3.15Å; N551-A555 PolarHBondContact O-N 3.32Å
552	D	94.1	Very high	93.9	Very high	120 Å²	120	57.9 Å²	57.9	64%	0.642	33%	0.332	S	S	*	.	H	α-helix	trans	-61.6	-43	176.6	-68.8	-22	0	0	0	111.4	T548 A549 A555 S556	T548-D552 PolarHBondContact O-N 3.45Å; A549-D552 PolarHBondContact O-N 3.41Å; D552-A555 PolarHBondContact O-N 3.15Å; D552-S556 PolarHBondContact O-N 3.17Å
553	F	93.8	Very high	93.8	Very high	43 Å²	43	58.3 Å²	58.3	19%	0.189	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-48.3	176.2	-174.3	-113.3	0	0	0	111.4	T538 I539 T542 A549 L550 N551 A555 S556 F562	T538-F553 HydrophobicContact CG2-CE2 4.16Å; T538-F553 HydrophobicContact CG2-CZ 3.78Å; I539-F553 HydrophobicContact CD1-CE1 4.3Å; T542-F553 HydrophobicContact CG2-CD1 3.99Å; T542-F553 HydrophobicContact CG2-CE1 3.9Å; A549-F553 WeakPolarHBondContact O-CB 3.19Å; A549-F553 PolarHBondContact O-N 3.47Å; L550-F553 PolarHBondContact O-N 3.27Å; N551-F553 VanDerWaalsContact C-N 3.35Å; N551-F553 PolarHBondContact O-N 2.93Å; F553-A555 VanDerWaalsContact C-N 3.34Å; F553-A555 PolarHBondContact O-N 3.48Å; F553-S556 WeakPolarHBondContact O-CB 3.26Å; F553-S556 PolarHBondContact O-N 3.47Å; F553-S556 VanDerWaalsContact O-N 3.12Å; F553-S556 PolarHBondContact O-OG 2.89Å; F553-F562 AromaticContact CD1-CD2 3.85Å; F553-F562 HydrophobicContact CD1-CD2 3.85Å; F553-F562 HydrophobicContact CD1-CE1 4.2Å; F553-F562 AromaticContact CD1-CE2 3.49Å; F553-F562 HydrophobicContact CD1-CE2 3.49Å; F553-F562 VanDerWaalsContact CD1-CE2 3.49Å; F553-F562 HydrophobicContact CD1-CG 4.35Å; F553-F562 AromaticContact CD1-CZ 3.69Å; F553-F562 HydrophobicContact CD1-CZ 3.69Å; F553-F562 HydrophobicContact CE1-CD2 4.43Å; F553-F562 HydrophobicContact CE1-CE1 4.02Å; F553-F562 AromaticContact CE1-CE2 3.67Å; F553-F562 HydrophobicContact CE1-CE2 3.67Å; F553-F562 AromaticContact CE1-CZ 3.42Å; F553-F562 HydrophobicContact CE1-CZ 3.42Å; F553-F562 VanDerWaalsContact CE1-CZ 3.42Å
554	G	92.9	Very high	93.8	Very high	4 Å²	4	58.7 Å²	58.7	4%	0.041	34%	0.338	C	S	.	.	H	α-helix	trans	-61	-39.2	176.3	0	0	0	0	0	113.4	L550 N551 S556 E557	L550-G554 PolarHBondContact O-N 2.86Å; N551-G554 PolarHBondContact O-N 3.35Å; G554-S556 PolarHBondContact O-N 3.1Å; G554-E557 PolarHBondContact O-N 3.45Å; G554-E557 VanDerWaalsContact O-N 3.11Å
555	A	92	Very high	93.9	Very high	88 Å²	88	55.4 Å²	55.4	73%	0.727	32%	0.318	S	S	*	.	H	α-helix	trans	-67.5	-21.1	176.8	0	0	0	0	0	113.4	N551 D552 F553 E557	N551-A555 VanDerWaalsContact O-CB 3.25Å; N551-A555 WeakPolarHBondContact O-CB 3.15Å; N551-A555 PolarHBondContact O-N 3.32Å; D552-A555 PolarHBondContact O-N 3.15Å; F553-A555 VanDerWaalsContact C-N 3.34Å; F553-A555 PolarHBondContact O-N 3.48Å; A555-E557 VanDerWaalsContact C-N 3.27Å
556	S	92.9	Very high	94	Very high	83 Å²	83	52.5 Å²	52.5	58%	0.58	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.6	174.1	77.4	0	0	0	0	113.6	D552 F553 G554	D552-S556 PolarHBondContact O-N 3.17Å; F553-S556 WeakPolarHBondContact O-CB 3.26Å; F553-S556 PolarHBondContact O-N 3.47Å; F553-S556 VanDerWaalsContact O-N 3.12Å; F553-S556 PolarHBondContact O-OG 2.89Å; G554-S556 PolarHBondContact O-N 3.1Å
557	E	93.3	Very high	94.2	Very high	42 Å²	42	47.2 Å²	47.2	20%	0.196	28%	0.278	C	S	.	.	S	Bend	trans	-111.5	155.6	-176.3	-66.3	-65.7	173	0	0	111.3	G554 A555 S559 V560 R607	G554-E557 PolarHBondContact O-N 3.45Å; G554-E557 VanDerWaalsContact O-N 3.11Å; A555-E557 VanDerWaalsContact C-N 3.27Å; E557-S559 PolarHBondContact O-N 2.92Å; E557-V560 HydrophobicContact CB-CG2 3.23Å; E557-V560 HydrophobicContact CG-CG2 4.22Å; E557-R607 WeakPolarHBondContact OE2-CG 3.42Å
558	N	91.3	Very high	94.3	Very high	78 Å²	78	46.3 Å²	46.3	42%	0.417	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	111	-174.2	-172.4	-10.8	0	0	0	111.6	M609 G610	N558-M609 HydrophobicContact CB-CB 4.28Å; N558-M609 WeakPolarHBondContact O-CA 3.38Å; N558-G610 PolarHBondContact O-N 3.32Å
559	S	91.9	Very high	94.6	Very high	51 Å²	51	41.6 Å²	41.6	36%	0.357	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	48.9	172	-54.2	0	0	0	0	113.2	E557 F611	E557-S559 PolarHBondContact O-N 2.92Å; S559-F611 WeakPolarHBondContact O-CD1 3.28Å; S559-F611 PolarHBondContact O-N 3.43Å
560	V	94.2	Very high	94.7	Very high	10 Å²	10	39.7 Å²	39.7	6%	0.061	23%	0.23	C	C	.	.			trans	-132.7	156.1	173.3	-62.5	0	0	0	0	110.3	E557 F562 F613	E557-V560 HydrophobicContact CB-CG2 3.23Å; E557-V560 HydrophobicContact CG-CG2 4.22Å; V560-F562 HydrophobicContact CG2-CE2 4.02Å; V560-F613 HydrophobicContact CB-CE1 4.39Å; V560-F613 HydrophobicContact CB-CZ 4.43Å
561	Y	94.6	Very high	94.9	Very high	20 Å²	20	40.4 Å²	40.4	8%	0.078	23%	0.234	C	C	.	.			trans	-133.3	153.4	170	68	-89.9	0	0	0	108.9	H483 K484 N485 Y491 E493 R597 F613	H483-Y561 AromaticContact CD2-CZ 3.83Å; H483-Y561 PolarHBondContact CD2-OH 3.09Å; H483-Y561 AromaticContact CE1-CD2 3.9Å; H483-Y561 AromaticContact CE1-CE2 3.27Å; H483-Y561 WeakPolarHBondContact CE1-CE2 3.44Å; H483-Y561 AromaticContact CE1-CZ 3.39Å; H483-Y561 AromaticContact ND1-CE2 3.58Å; H483-Y561 AromaticContact ND1-CZ 3.94Å; H483-Y561 AromaticContact NE2-CE1 3.85Å; H483-Y561 AromaticContact NE2-CE2 3.72Å; H483-Y561 AromaticContact NE2-CZ 3.31Å; H483-Y561 VanDerWaalsContact NE2-CZ 3.31Å; H483-Y561 PolarHBondContact NE2-OH 3.21Å; H483-Y561 VanDerWaalsContact NE2-OH 3.16Å; K484-Y561 WeakPolarHBondContact CA-OH 3.49Å; K484-Y561 WeakPolarHBondContact O-CE2 3.1Å; N485-Y561 HydrophobicContact CB-CD1 4.13Å; N485-Y561 HydrophobicContact CB-CD2 4.01Å; N485-Y561 HydrophobicContact CB-CE1 4.18Å; N485-Y561 HydrophobicContact CB-CE2 4.08Å; N485-Y561 HydrophobicContact CB-CG 4.04Å; Y491-Y561 AromaticContact CD1-CD1 3.76Å; Y491-Y561 HydrophobicContact CD1-CD1 3.76Å; Y491-Y561 AromaticContact CD1-CE1 3.63Å; Y491-Y561 HydrophobicContact CD1-CE1 3.63Å; Y491-Y561 AromaticContact CE1-CD1 3.47Å; Y491-Y561 HydrophobicContact CE1-CD1 3.47Å; Y491-Y561 VanDerWaalsContact CE1-CD1 3.47Å; Y491-Y561 AromaticContact CE1-CE1 3.66Å; Y491-Y561 HydrophobicContact CE1-CE1 3.66Å; Y491-Y561 HydrophobicContact CG-CD1 4.48Å; Y491-Y561 AromaticContact CZ-CD1 3.97Å; E493-Y561 PolarHBondContact O-OH 3.25Å; E493-Y561 PolarHBondContact OE2-OH 3.43Å; Y561-R597 PolarHBondContact OH-NH2 2.61Å; Y561-F613 WeakPolarHBondContact O-CZ 3.46Å
562	F	95.5	Very high	95.1	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.013	22%	0.222	C	C	.	.			trans	-122.4	147	176	-70.5	-98.2	0	0	0	111.2	I539 T542 Q547 L550 F553 V560 T566 F613	I539-F562 HydrophobicContact CD1-CE1 4.28Å; I539-F562 HydrophobicContact CD1-CZ 4.15Å; T542-F562 HydrophobicContact CG2-CD1 4.01Å; T542-F562 HydrophobicContact CG2-CE1 3.93Å; Q547-F562 PolarHBondContact NE2-O 3.38Å; L550-F562 HydrophobicContact CB-CB 3.91Å; L550-F562 HydrophobicContact CD2-CB 3.85Å; L550-F562 HydrophobicContact CD2-CG 4.5Å; L550-F562 HydrophobicContact CG-CB 4.33Å; F553-F562 AromaticContact CD1-CD2 3.85Å; F553-F562 HydrophobicContact CD1-CD2 3.85Å; F553-F562 HydrophobicContact CD1-CE1 4.2Å; F553-F562 AromaticContact CD1-CE2 3.49Å; F553-F562 HydrophobicContact CD1-CE2 3.49Å; F553-F562 VanDerWaalsContact CD1-CE2 3.49Å; F553-F562 HydrophobicContact CD1-CG 4.35Å; F553-F562 AromaticContact CD1-CZ 3.69Å; F553-F562 HydrophobicContact CD1-CZ 3.69Å; F553-F562 HydrophobicContact CE1-CD2 4.43Å; F553-F562 HydrophobicContact CE1-CE1 4.02Å; F553-F562 AromaticContact CE1-CE2 3.67Å; F553-F562 HydrophobicContact CE1-CE2 3.67Å; F553-F562 AromaticContact CE1-CZ 3.42Å; F553-F562 HydrophobicContact CE1-CZ 3.42Å; F553-F562 VanDerWaalsContact CE1-CZ 3.42Å; V560-F562 HydrophobicContact CG2-CE2 4.02Å; F562-T566 HydrophobicContact CD1-CG2 3.65Å; F562-T566 HydrophobicContact CE1-CG2 4.07Å; F562-T566 HydrophobicContact CG-CG2 4.37Å; F562-F613 HydrophobicContact CD1-CD1 4.46Å; F562-F613 AromaticContact CD1-CE1 3.94Å; F562-F613 HydrophobicContact CD1-CE1 3.94Å; F562-F613 HydrophobicContact CD2-CE1 4.35Å; F562-F613 AromaticContact CE1-CD1 3.62Å; F562-F613 HydrophobicContact CE1-CD1 3.62Å; F562-F613 AromaticContact CE1-CE1 3.43Å; F562-F613 HydrophobicContact CE1-CE1 3.43Å; F562-F613 VanDerWaalsContact CE1-CE1 3.43Å; F562-F613 AromaticContact CE2-CE1 3.9Å; F562-F613 HydrophobicContact CE2-CE1 3.9Å; F562-F613 HydrophobicContact CG-CE1 4.37Å; F562-F613 AromaticContact CZ-CD1 3.68Å; F562-F613 HydrophobicContact CZ-CD1 3.68Å; F562-F613 AromaticContact CZ-CE1 3.41Å; F562-F613 HydrophobicContact CZ-CE1 3.41Å; F562-F613 VanDerWaalsContact CZ-CE1 3.41Å
563	N	94.5	Very high	95.4	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.043	19%	0.192	C	C	.	.			trans	-139.6	173.1	164.4	74.1	12.8	0	0	0	108.7	N482 K484 H565 T566	N482-N563 PolarHBondContact O-ND2 3.39Å; K484-N563 PolarHBondContact N-ND2 2.86Å; K484-N563 PolarHBondContact O-ND2 3.28Å; N563-H565 PolarHBondContact O-N 3.07Å; N563-H565 WeakPolarHBondContact OD1-CA 3.22Å; N563-H565 PolarHBondContact OD1-N 2.68Å; N563-T566 PolarHBondContact N-OG1 3.35Å; N563-T566 WeakPolarHBondContact O-CB 3.23Å; N563-T566 PolarHBondContact O-N 3.33Å; N563-T566 PolarHBondContact O-OG1 3.11Å; N563-T566 VanDerWaalsContact O-OG1 3.08Å; N563-T566 PolarHBondContact OD1-N 3.34Å; N563-T566 VanDerWaalsContact OD1-N 3.08Å; N563-T566 PolarHBondContact OD1-OG1 3.06Å
564	C	93.5	Very high	95.6	Very high	60 Å²	60	30.4 Å²	30.4	41%	0.405	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-11.9	-176.9	63.2	0	0	0	0	115.2
565	H	96.2	Very high	95.9	Very high	73 Å²	73	30.2 Å²	30.2	34%	0.338	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-1.5	177.9	-59.4	-55.4	0	0	0	113.7	N482 N563 D568 N569	N482-H565 HydrophobicContact CB-CB 3.7Å; N563-H565 PolarHBondContact O-N 3.07Å; N563-H565 WeakPolarHBondContact OD1-CA 3.22Å; N563-H565 PolarHBondContact OD1-N 2.68Å; H565-D568 PolarHBondContact O-N 3.46Å; H565-N569 VanDerWaalsContact O-CB 3.28Å; H565-N569 WeakPolarHBondContact O-CB 3.06Å; H565-N569 VanDerWaalsContact O-CG 3.31Å; H565-N569 PolarHBondContact O-N 3.44Å
566	T	97.3	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.4	-47.5	-171.2	-63.5	0	0	0	0	111.8	H483 F562 N563 N569 A570 F613	H483-T566 PolarHBondContact ND1-OG1 2.91Å; F562-T566 HydrophobicContact CD1-CG2 3.65Å; F562-T566 HydrophobicContact CE1-CG2 4.07Å; F562-T566 HydrophobicContact CG-CG2 4.37Å; N563-T566 PolarHBondContact N-OG1 3.35Å; N563-T566 WeakPolarHBondContact O-CB 3.23Å; N563-T566 PolarHBondContact O-N 3.33Å; N563-T566 PolarHBondContact O-OG1 3.11Å; N563-T566 VanDerWaalsContact O-OG1 3.08Å; N563-T566 PolarHBondContact OD1-N 3.34Å; N563-T566 VanDerWaalsContact OD1-N 3.08Å; N563-T566 PolarHBondContact OD1-OG1 3.06Å; T566-N569 PolarHBondContact O-N 3.31Å; T566-A570 WeakPolarHBondContact O-CB 3.26Å; T566-A570 PolarHBondContact O-N 3.38Å; T566-F613 HydrophobicContact CG2-CD1 3.88Å; T566-F613 HydrophobicContact CG2-CD2 4.25Å; T566-F613 HydrophobicContact CG2-CE1 3.44Å; T566-F613 VanDerWaalsContact CG2-CE1 3.44Å; T566-F613 HydrophobicContact CG2-CE2 3.85Å; T566-F613 HydrophobicContact CG2-CG 4.27Å; T566-F613 HydrophobicContact CG2-CZ 3.43Å; T566-F613 VanDerWaalsContact CG2-CZ 3.43Å
567	Y	98	Very high	96.5	Very high	39 Å²	39	22.1 Å²	22.1	15%	0.153	12%	0.119	C	C	.	.	H	α-helix	trans	-59.9	-52.1	176.2	174.9	-121.3	0	0	0	112.1	I539 A540 V543 N569 A570 L571 F614	I539-Y567 HydrophobicContact CG2-CD2 3.89Å; A540-Y567 HydrophobicContact CB-CD2 4.41Å; A540-Y567 HydrophobicContact CB-CE1 3.94Å; A540-Y567 HydrophobicContact CB-CE2 3.76Å; A540-Y567 VanDerWaalsContact CB-CZ 3.48Å; V543-Y567 HydrophobicContact CB-CD1 4.36Å; Y567-N569 VanDerWaalsContact C-N 3.26Å; Y567-N569 PolarHBondContact O-N 2.85Å; Y567-A570 PolarHBondContact O-N 2.91Å; Y567-L571 HydrophobicContact CD1-CD1 4.25Å; Y567-L571 HydrophobicContact CD2-CG 4.24Å; Y567-L571 HydrophobicContact CE1-CD1 3.71Å; Y567-L571 HydrophobicContact CE1-CG 4.39Å; Y567-L571 HydrophobicContact CE2-CD1 4.08Å; Y567-L571 HydrophobicContact CE2-CD2 3.88Å; Y567-L571 HydrophobicContact CE2-CG 3.91Å; Y567-L571 WeakPolarHBondContact O-CG 3.43Å; Y567-L571 PolarHBondContact O-N 3.15Å; Y567-F614 HydrophobicContact CD2-CE2 4.07Å; Y567-F614 HydrophobicContact CD2-CZ 4.19Å; Y567-F614 AromaticContact CE2-CE2 3.99Å; Y567-F614 HydrophobicContact CE2-CE2 3.99Å; Y567-F614 AromaticContact CE2-CZ 3.93Å; Y567-F614 HydrophobicContact CE2-CZ 3.93Å
568	D	97.8	Very high	96.7	Very high	59 Å²	59	20.1 Å²	20.1	32%	0.316	11%	0.109	S	C	.	.	H	α-helix	trans	-58.3	-39.3	179.6	-76	-12.6	0	0	0	112.1	Y521 H565 L571 L572	Y521-D568 WeakPolarHBondContact CD1-O 3.49Å; Y521-D568 HydrophobicContact CE1-CB 4.25Å; Y521-D568 VanDerWaalsContact CE1-O 3.24Å; Y521-D568 WeakPolarHBondContact CE1-O 3.17Å; H565-D568 PolarHBondContact O-N 3.46Å; D568-L571 WeakPolarHBondContact O-CB 3.23Å; D568-L571 PolarHBondContact O-N 3.49Å; D568-L572 WeakPolarHBondContact O-CB 3.34Å; D568-L572 PolarHBondContact O-N 3.05Å
569	N	98.4	Very high	97.1	Very high	3 Å²	3	17 Å²	17	2%	0.016	9%	0.094	C	C	.	.	H	α-helix	trans	-76.3	-33.3	-179.9	-74.6	5.4	0	0	0	112.8	R479 M480 N482 H483 H565 T566 Y567 L571 L572 A573	R479-N569 PolarHBondContact O-ND2 3.16Å; R479-N569 PolarHBondContact O-OD1 3.27Å; M480-N569 VanDerWaalsContact C-ND2 3.28Å; M480-N569 WeakPolarHBondContact CA-ND2 3.42Å; M480-N569 PolarHBondContact O-ND2 3.2Å; N482-N569 PolarHBondContact N-ND2 3.3Å; H483-N569 HydrophobicContact CB-CB 3.97Å; H483-N569 PolarHBondContact N-ND2 2.92Å; H565-N569 VanDerWaalsContact O-CB 3.28Å; H565-N569 WeakPolarHBondContact O-CB 3.06Å; H565-N569 VanDerWaalsContact O-CG 3.31Å; H565-N569 PolarHBondContact O-N 3.44Å; T566-N569 PolarHBondContact O-N 3.31Å; Y567-N569 VanDerWaalsContact C-N 3.26Å; Y567-N569 PolarHBondContact O-N 2.85Å; N569-L571 VanDerWaalsContact C-N 3.35Å; N569-L572 PolarHBondContact O-N 3.46Å; N569-A573 WeakPolarHBondContact O-CB 3.18Å; N569-A573 PolarHBondContact O-N 3.3Å
570	A	98.5	Very high	97.4	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-62.6	-42.8	169.7	0	0	0	0	0	111	T566 Y567 L572 A573 S574 P598 F613 F614	T566-A570 WeakPolarHBondContact O-CB 3.26Å; T566-A570 PolarHBondContact O-N 3.38Å; Y567-A570 PolarHBondContact O-N 2.91Å; A570-L572 VanDerWaalsContact C-N 3.32Å; A570-L572 PolarHBondContact O-N 3.43Å; A570-A573 PolarHBondContact O-N 2.89Å; A570-S574 PolarHBondContact O-N 3.11Å; A570-S574 VanDerWaalsContact O-N 3.1Å; A570-S574 PolarHBondContact O-OG 3.04Å; A570-P598 HydrophobicContact CB-CG 4.15Å; A570-F613 HydrophobicContact CB-CB 3.9Å; A570-F613 HydrophobicContact CB-CG 4.45Å; A570-F614 HydrophobicContact CB-CD2 3.71Å; A570-F614 HydrophobicContact CB-CE2 4.03Å
571	L	98.7	Very high	97.6	Very high	16 Å²	16	14.1 Å²	14.1	8%	0.084	8%	0.075	C	C	.	.	H	α-helix	trans	-59.2	-42.9	171.5	-67.9	-177.1	0	0	0	112	Y521 A522 L527 Y567 D568 N569 G575 F614	Y521-L571 HydrophobicContact CD1-CB 3.79Å; A522-L571 PolarHBondContact N-O 3.32Å; L527-L571 HydrophobicContact CD1-CD2 3.56Å; L527-L571 HydrophobicContact CD2-CD2 4.26Å; L527-L571 HydrophobicContact CG-CD2 4.24Å; Y567-L571 HydrophobicContact CD1-CD1 4.25Å; Y567-L571 HydrophobicContact CD2-CG 4.24Å; Y567-L571 HydrophobicContact CE1-CD1 3.71Å; Y567-L571 HydrophobicContact CE1-CG 4.39Å; Y567-L571 HydrophobicContact CE2-CD1 4.08Å; Y567-L571 HydrophobicContact CE2-CD2 3.88Å; Y567-L571 HydrophobicContact CE2-CG 3.91Å; Y567-L571 WeakPolarHBondContact O-CG 3.43Å; Y567-L571 PolarHBondContact O-N 3.15Å; D568-L571 WeakPolarHBondContact O-CB 3.23Å; D568-L571 PolarHBondContact O-N 3.49Å; N569-L571 VanDerWaalsContact C-N 3.35Å; L571-G575 PolarHBondContact O-N 3.42Å; L571-F614 HydrophobicContact CD2-CE2 3.93Å
572	L	98.6	Very high	97.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.8	-38.1	-178.9	-171.6	59	0	0	0	111.9	D477 R479 M480 A519 Y521 D568 N569 A570 S576	D477-L572 HydrophobicContact CB-CD2 4.11Å; R479-L572 HydrophobicContact CB-CD2 3.64Å; M480-L572 HydrophobicContact CG-CB 4.31Å; M480-L572 HydrophobicContact CG-CD2 3.8Å; M480-L572 HydrophobicContact CG-CG 3.98Å; A519-L572 HydrophobicContact CB-CD1 3.95Å; Y521-L572 HydrophobicContact CD1-CB 3.94Å; Y521-L572 HydrophobicContact CD1-CD1 4.3Å; Y521-L572 HydrophobicContact CE1-CB 3.87Å; Y521-L572 HydrophobicContact CE1-CD1 4.28Å; Y521-L572 HydrophobicContact CE1-CG 4.47Å; D568-L572 WeakPolarHBondContact O-CB 3.34Å; D568-L572 PolarHBondContact O-N 3.05Å; N569-L572 PolarHBondContact O-N 3.46Å; A570-L572 VanDerWaalsContact C-N 3.32Å; A570-L572 PolarHBondContact O-N 3.43Å; L572-S576 WeakPolarHBondContact O-CB 3.49Å; L572-S576 PolarHBondContact O-N 3.36Å; L572-S576 PolarHBondContact O-OG 3.22Å
573	A	98.8	Very high	97.6	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62	-52.7	174.8	0	0	0	0	0	111	M480 N569 A570 G575 S576 L577 I596	M480-A573 HydrophobicContact SD-CB 4.26Å; N569-A573 WeakPolarHBondContact O-CB 3.18Å; N569-A573 PolarHBondContact O-N 3.3Å; A570-A573 PolarHBondContact O-N 2.89Å; A573-G575 PolarHBondContact O-N 3.41Å; A573-S576 PolarHBondContact O-N 2.92Å; A573-L577 PolarHBondContact O-N 2.86Å; A573-L577 VanDerWaalsContact O-N 3.14Å; A573-I596 HydrophobicContact CB-CB 4.16Å; A573-I596 HydrophobicContact CB-CD1 4.45Å
574	S	98.8	Very high	97.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.6	-50.1	177.5	-60.6	0	0	0	0	111.3	A570 S576 L577 L578 N616	A570-S574 PolarHBondContact O-N 3.11Å; A570-S574 VanDerWaalsContact O-N 3.1Å; A570-S574 PolarHBondContact O-OG 3.04Å; S574-S576 VanDerWaalsContact C-N 3.31Å; S574-S576 PolarHBondContact O-N 2.89Å; S574-L577 PolarHBondContact O-N 3.33Å; S574-L578 WeakPolarHBondContact O-CG 2.91Å; S574-L578 PolarHBondContact O-N 2.62Å; S574-N616 WeakPolarHBondContact CA-OD1 3.44Å; S574-N616 WeakPolarHBondContact CB-OD1 3.47Å; S574-N616 PolarHBondContact N-OD1 3.45Å; S574-N616 VanDerWaalsContact N-OD1 3.13Å; S574-N616 PolarHBondContact OG-OD1 3.49Å
575	G	98.8	Very high	97.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-67.7	-28.2	-178.2	0	0	0	0	0	114	R520 L571 A573 L578 A579	R520-G575 VanDerWaalsContact CG-O 3.23Å; R520-G575 WeakPolarHBondContact CG-O 3.4Å; R520-G575 CarbonylContact O-C 3.51Å; R520-G575 WeakPolarHBondContact O-CA 3.42Å; L571-G575 PolarHBondContact O-N 3.42Å; A573-G575 PolarHBondContact O-N 3.41Å; G575-L578 PolarHBondContact O-N 3.14Å; G575-A579 PolarHBondContact O-N 3.02Å
576	S	98.8	Very high	97.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.3	-45.9	172.4	-64.2	0	0	0	0	111.5	A519 R520 L572 A573 S574 L578 A579 V580	A519-S576 WeakPolarHBondContact CB-OG 3.32Å; R520-S576 PolarHBondContact O-N 3.5Å; L572-S576 WeakPolarHBondContact O-CB 3.49Å; L572-S576 PolarHBondContact O-N 3.36Å; L572-S576 PolarHBondContact O-OG 3.22Å; A573-S576 PolarHBondContact O-N 2.92Å; S574-S576 VanDerWaalsContact C-N 3.31Å; S574-S576 PolarHBondContact O-N 2.89Å; S576-L578 VanDerWaalsContact C-N 3.29Å; S576-L578 PolarHBondContact O-N 3.19Å; S576-A579 WeakPolarHBondContact O-CB 3.48Å; S576-A579 PolarHBondContact O-N 3.45Å; S576-V580 PolarHBondContact O-N 3.28Å
577	L	98.8	Very high	96.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-60.4	-42	173.5	176.8	57	0	0	0	111.3	A573 S574 A579 V580 I581 A594 I596 N616 V617 V802 A804	A573-L577 PolarHBondContact O-N 2.86Å; A573-L577 VanDerWaalsContact O-N 3.14Å; S574-L577 PolarHBondContact O-N 3.33Å; L577-A579 VanDerWaalsContact C-N 3.28Å; L577-A579 PolarHBondContact O-N 3.44Å; L577-V580 WeakPolarHBondContact O-CB 3.31Å; L577-V580 PolarHBondContact O-N 3.28Å; L577-V580 VanDerWaalsContact O-N 3.09Å; L577-I581 HydrophobicContact CD1-CD1 4.26Å; L577-I581 HydrophobicContact CD1-CG1 4.37Å; L577-I581 HydrophobicContact CG-CD1 4.03Å; L577-I581 WeakPolarHBondContact O-CG1 3.23Å; L577-I581 PolarHBondContact O-N 3.38Å; L577-A594 HydrophobicContact CB-CB 4.3Å; L577-A594 HydrophobicContact CD1-CB 3.85Å; L577-I596 HydrophobicContact CB-CD1 4.16Å; L577-N616 HydrophobicContact CD2-CB 3.85Å; L577-N616 WeakPolarHBondContact CD2-O 3.29Å; L577-V617 HydrophobicContact CD2-CG2 4.05Å; L577-V802 HydrophobicContact CD1-CG1 3.51Å; L577-A804 HydrophobicContact CD1-CB 3.86Å; L577-A804 HydrophobicContact CD2-CB 3.85Å; L577-A804 HydrophobicContact CG-CB 4.45Å
578	L	98.8	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.9	-36.9	175.8	-64.3	-175.9	0	0	0	112.6	R520 E526 S574 G575 S576 V580 I581 D582 I619 H623	R520-L578 VanDerWaalsContact NH2-CB 3.29Å; E526-L578 HydrophobicContact CB-CD1 3.96Å; E526-L578 VanDerWaalsContact CD-CD1 3.45Å; E526-L578 HydrophobicContact CG-CD1 4.07Å; E526-L578 VanDerWaalsContact OE1-CD1 3.31Å; E526-L578 WeakPolarHBondContact OE1-CD1 3.49Å; S574-L578 WeakPolarHBondContact O-CG 2.91Å; S574-L578 PolarHBondContact O-N 2.62Å; G575-L578 PolarHBondContact O-N 3.14Å; S576-L578 VanDerWaalsContact C-N 3.29Å; S576-L578 PolarHBondContact O-N 3.19Å; L578-V580 VanDerWaalsContact C-N 3.31Å; L578-V580 PolarHBondContact O-N 3.25Å; L578-I581 HydrophobicContact CD2-CD1 4.34Å; L578-I581 PolarHBondContact O-N 3.04Å; L578-D582 WeakPolarHBondContact O-CB 3.5Å; L578-D582 PolarHBondContact O-N 3.27Å; L578-I619 HydrophobicContact CD1-CG2 4.02Å; L578-I619 HydrophobicContact CD2-CG2 4.18Å; L578-I619 HydrophobicContact CG-CG2 4.42Å; L578-H623 HydrophobicContact CD2-CB 3.43Å; L578-H623 VanDerWaalsContact CD2-CB 3.43Å
579	A	98.5	Very high	95.9	Very high	13 Å²	13	9.9 Å²	9.9	11%	0.107	6%	0.06	C	C	.	.	H	α-helix	trans	-63.8	-35.7	174.4	0	0	0	0	0	112.7	I517 R520 G575 S576 L577 E583	I517-A579 VanDerWaalsContact CD1-C 3.44Å; I517-A579 HydrophobicContact CD1-CB 3.99Å; I517-A579 WeakPolarHBondContact CD1-O 3.35Å; R520-A579 HydrophobicContact CG-CB 4.38Å; G575-A579 PolarHBondContact O-N 3.02Å; S576-A579 WeakPolarHBondContact O-CB 3.48Å; S576-A579 PolarHBondContact O-N 3.45Å; L577-A579 VanDerWaalsContact C-N 3.28Å; L577-A579 PolarHBondContact O-N 3.44Å; A579-E583 WeakPolarHBondContact O-CB 3.28Å; A579-E583 PolarHBondContact O-N 2.74Å; A579-E583 VanDerWaalsContact O-N 3.11Å
580	V	98.5	Very high	95.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-65.7	-46.9	173.2	175.7	0	0	0	0	110.6	V475 I517 S576 L577 L578 D582 E583 V584 A594 V802	V475-V580 HydrophobicContact CB-CG2 3.88Å; V475-V580 HydrophobicContact CG1-CG2 3.34Å; I517-V580 HydrophobicContact CD1-CB 4.26Å; I517-V580 HydrophobicContact CD1-CG2 3.71Å; S576-V580 PolarHBondContact O-N 3.28Å; L577-V580 WeakPolarHBondContact O-CB 3.31Å; L577-V580 PolarHBondContact O-N 3.28Å; L577-V580 VanDerWaalsContact O-N 3.09Å; L578-V580 VanDerWaalsContact C-N 3.31Å; L578-V580 PolarHBondContact O-N 3.25Å; V580-D582 VanDerWaalsContact C-N 3.32Å; V580-D582 PolarHBondContact O-N 3.06Å; V580-E583 PolarHBondContact O-N 3.44Å; V580-V584 HydrophobicContact CG1-CG2 4.45Å; V580-V584 WeakPolarHBondContact O-CG2 3.37Å; V580-V584 PolarHBondContact O-N 3.25Å; V580-A594 HydrophobicContact CG2-CB 4.1Å; V580-V802 HydrophobicContact CB-CG1 4.29Å; V580-V802 HydrophobicContact CG1-CB 4.34Å; V580-V802 HydrophobicContact CG1-CG1 3.53Å; V580-V802 HydrophobicContact CG1-CG2 3.95Å
581	I	98.2	Very high	95.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-43.9	177.4	-68.1	170.9	0	0	0	110.4	L577 L578 E583 V584 C585 A624 L724 L726 V802	L577-I581 HydrophobicContact CD1-CD1 4.26Å; L577-I581 HydrophobicContact CD1-CG1 4.37Å; L577-I581 HydrophobicContact CG-CD1 4.03Å; L577-I581 WeakPolarHBondContact O-CG1 3.23Å; L577-I581 PolarHBondContact O-N 3.38Å; L578-I581 HydrophobicContact CD2-CD1 4.34Å; L578-I581 PolarHBondContact O-N 3.04Å; I581-E583 VanDerWaalsContact C-N 3.29Å; I581-E583 PolarHBondContact O-N 2.92Å; I581-V584 PolarHBondContact O-N 2.87Å; I581-C585 VanDerWaalsContact O-CB 3.28Å; I581-C585 WeakPolarHBondContact O-CB 3.41Å; I581-C585 PolarHBondContact O-N 3.17Å; I581-C585 PolarHBondContact O-SG 3.4Å; I581-A624 HydrophobicContact CG2-CB 4.05Å; I581-L724 HydrophobicContact CG2-CD2 4.4Å; I581-L726 HydrophobicContact CD1-CD1 4.32Å; I581-L726 HydrophobicContact CD1-CD2 3.9Å; I581-L726 HydrophobicContact CG1-CD2 4.05Å; I581-V802 HydrophobicContact CG1-CG1 4.38Å; I581-V802 HydrophobicContact CG1-CG2 4.39Å
582	D	96.1	Very high	95.4	Very high	25 Å²	25	10.7 Å²	10.7	13%	0.134	6%	0.064	C	C	.	.	H	α-helix	trans	-58.1	-42.5	177.3	-76.1	-39	0	0	0	111.5	R520 L578 V580 S586 H623 Y628	R520-D582 IonicContact CZ-OD2 3.43Å; R520-D582 IonicContact NE-OD2 3.24Å; R520-D582 IonicContact NH2-OD2 2.81Å; R520-D582 PolarHBondContact NH2-OD2 3.42Å; R520-D582 VanDerWaalsContact NH2-OD2 3.14Å; L578-D582 WeakPolarHBondContact O-CB 3.5Å; L578-D582 PolarHBondContact O-N 3.27Å; V580-D582 VanDerWaalsContact C-N 3.32Å; V580-D582 PolarHBondContact O-N 3.06Å; D582-S586 WeakPolarHBondContact O-CB 3.23Å; D582-S586 PolarHBondContact O-N 3.42Å; D582-S586 PolarHBondContact O-OG 3.46Å; D582-H623 IonicContact OD1-CD2 3.21Å; D582-H623 IonicContact OD1-CE1 3.11Å; D582-H623 IonicContact OD1-NE2 2.96Å; D582-H623 PolarHBondContact OD1-NE2 3.05Å; D582-Y628 WeakPolarHBondContact CA-OH 3.48Å; D582-Y628 PolarHBondContact O-OH 3.13Å; D582-Y628 PolarHBondContact OD1-OH 2.86Å
583	E	94.2	Very high	95.4	Very high	14 Å²	14	10.7 Å²	10.7	7%	0.065	7%	0.065	C	C	.	.	H	α-helix	trans	-69.2	-42.7	179.4	-166.6	73.6	-173.8	0	0	112.2	C473 K515 I517 A579 V580 I581 S586 E588 S589 R788	C473-E583 HydrophobicContact CB-CG 4.16Å; K515-E583 WeakPolarHBondContact CD-OE1 3.49Å; K515-E583 WeakPolarHBondContact CE-OE1 3.47Å; K515-E583 IonicContact NZ-OE1 2.9Å; K515-E583 PolarHBondContact NZ-OE1 3.44Å; I517-E583 HydrophobicContact CD1-CB 4.46Å; I517-E583 HydrophobicContact CG2-CG 4.11Å; A579-E583 WeakPolarHBondContact O-CB 3.28Å; A579-E583 PolarHBondContact O-N 2.74Å; A579-E583 VanDerWaalsContact O-N 3.11Å; V580-E583 PolarHBondContact O-N 3.44Å; I581-E583 VanDerWaalsContact C-N 3.29Å; I581-E583 PolarHBondContact O-N 2.92Å; E583-S586 PolarHBondContact O-OG 3.43Å; E583-E588 HydrophobicContact CG-CB 4.15Å; E583-E588 WeakPolarHBondContact O-CB 3.34Å; E583-E588 PolarHBondContact O-N 3.26Å; E583-E588 VanDerWaalsContact O-N 3.13Å; E583-E588 WeakPolarHBondContact OE1-CB 3.48Å; E583-S589 WeakPolarHBondContact CG-OG 3.5Å; E583-S589 PolarHBondContact O-N 3.4Å; E583-R788 IonicContact OE2-NH1 2.71Å
584	V	94.1	Very high	95.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-71.5	-50.3	179.3	171	0	0	0	0	111.1	V580 I581 S586 G587 S589 L724 Y797 V802	V580-V584 HydrophobicContact CG1-CG2 4.45Å; V580-V584 WeakPolarHBondContact O-CG2 3.37Å; V580-V584 PolarHBondContact O-N 3.25Å; I581-V584 PolarHBondContact O-N 2.87Å; V584-S586 PolarHBondContact O-N 3.33Å; V584-G587 PolarHBondContact O-N 3.23Å; V584-S589 WeakPolarHBondContact CA-O 3.4Å; V584-L724 HydrophobicContact CG1-CD1 4.49Å; V584-Y797 HydrophobicContact CG1-CE2 4.36Å; V584-Y797 VanDerWaalsContact O-CE2 3.32Å; V584-Y797 WeakPolarHBondContact O-CE2 3.26Å; V584-V802 HydrophobicContact CB-CG2 4.24Å; V584-V802 HydrophobicContact CG1-CG2 4.37Å; V584-V802 HydrophobicContact CG2-CG2 3.99Å
585	C	92.7	Very high	95.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-70.3	-13.6	179.3	-63.6	0	0	0	0	113.1	I581 G587 Y628 Y767	I581-C585 VanDerWaalsContact O-CB 3.28Å; I581-C585 WeakPolarHBondContact O-CB 3.41Å; I581-C585 PolarHBondContact O-N 3.17Å; I581-C585 PolarHBondContact O-SG 3.4Å; C585-G587 VanDerWaalsContact C-N 3.27Å; C585-Y628 HydrophobicContact CB-CD1 3.59Å; C585-Y628 HydrophobicContact CB-CD2 3.7Å; C585-Y628 HydrophobicContact CB-CE1 3.69Å; C585-Y628 HydrophobicContact CB-CE2 3.83Å; C585-Y628 HydrophobicContact CB-CG 3.58Å; C585-Y628 WeakPolarHBondContact O-CD1 3.39Å; C585-Y628 WeakPolarHBondContact O-CE1 3.39Å; C585-Y767 PolarHBondContact O-OH 3.13Å
586	S	88.3	Confident	95.4	Very high	29 Å²	29	10.7 Å²	10.7	20%	0.203	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-4.7	168.4	55.1	0	0	0	0	113.7	D582 E583 V584 E588	D582-S586 WeakPolarHBondContact O-CB 3.23Å; D582-S586 PolarHBondContact O-N 3.42Å; D582-S586 PolarHBondContact O-OG 3.46Å; E583-S586 PolarHBondContact O-OG 3.43Å; V584-S586 PolarHBondContact O-N 3.33Å; S586-E588 WeakPolarHBondContact OG-CG 3.31Å
587	G	85.9	Confident	95.3	Very high	26 Å²	26	10.7 Å²	10.7	27%	0.268	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	10.1	-173.9	0	0	0	0	0	113.6	V584 C585	V584-G587 PolarHBondContact O-N 3.23Å; C585-G587 VanDerWaalsContact C-N 3.27Å
588	E	87	Confident	95.3	Very high	77 Å²	77	10.8 Å²	10.8	36%	0.36	7%	0.065	S	C	.	.	S	Bend	trans	-85.6	-8.9	179.4	-69	-73.2	151.3	0	0	112.7	S470 K515 E583 S586	S470-E588 WeakPolarHBondContact CB-O 3.14Å; S470-E588 VanDerWaalsContact OG-C 3.28Å; S470-E588 PolarHBondContact OG-O 3.42Å; K515-E588 PolarHBondContact NZ-O 3.36Å; K515-E588 IonicContact NZ-OE2 3.38Å; K515-E588 PolarHBondContact NZ-OE2 3.39Å; E583-E588 HydrophobicContact CG-CB 4.15Å; E583-E588 WeakPolarHBondContact O-CB 3.34Å; E583-E588 PolarHBondContact O-N 3.26Å; E583-E588 VanDerWaalsContact O-N 3.13Å; E583-E588 WeakPolarHBondContact OE1-CB 3.48Å; S586-E588 WeakPolarHBondContact OG-CG 3.31Å
589	S	92.6	Very high	95.3	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.014	7%	0.066	C	C	.	.			trans	-149.7	149.5	168.6	-65.2	0	0	0	0	109.4	S470 C473 E583 V584	S470-S589 WeakPolarHBondContact O-CA 3.45Å; S470-S589 PolarHBondContact O-OG 2.94Å; C473-S589 WeakPolarHBondContact CB-OG 3.44Å; E583-S589 WeakPolarHBondContact CG-OG 3.5Å; E583-S589 PolarHBondContact O-N 3.4Å; V584-S589 WeakPolarHBondContact CA-O 3.4Å
590	L	91.1	Very high	95.3	Very high	33 Å²	33	10.3 Å²	10.3	17%	0.173	6%	0.061	C	C	.	.	S	Bend	trans	-75.4	-36.4	177.6	-70.1	171.9	0	0	0	111.3	P372 I469 G471	P372-L590 HydrophobicContact CG-CD1 3.96Å; P372-L590 HydrophobicContact CG-CD2 3.94Å; I469-L590 HydrophobicContact CB-CD2 3.94Å; I469-L590 HydrophobicContact CB-CG 4.27Å; I469-L590 HydrophobicContact CD1-CD2 4.35Å; I469-L590 HydrophobicContact CG2-CD2 3.54Å; I469-L590 HydrophobicContact CG2-CG 3.79Å; G471-L590 PolarHBondContact O-N 3.28Å
591	N	96.5	Very high	95.3	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	172	-174	55.5	45.1	0	0	0	110.1	T472 C473 L801 L825	T472-N591 WeakPolarHBondContact CA-O 3.48Å; T472-N591 VanDerWaalsContact CA-OD1 3.28Å; T472-N591 WeakPolarHBondContact CA-OD1 3.44Å; T472-N591 WeakPolarHBondContact CB-OD1 3.31Å; T472-N591 VanDerWaalsContact CG2-OD1 3.27Å; T472-N591 WeakPolarHBondContact CG2-OD1 3.49Å; T472-N591 PolarHBondContact OG1-OD1 2.93Å; C473-N591 PolarHBondContact N-O 3.16Å; N591-L801 CarbonylContact C-O 3.59Å; N591-L801 WeakPolarHBondContact CA-O 3.39Å; N591-L801 HydrophobicContact CB-CB 4.15Å; N591-L801 WeakPolarHBondContact CB-O 3.28Å; N591-L825 HydrophobicContact CB-CD2 3.96Å; N591-L825 PolarHBondContact ND2-O 3.12Å
592	G	98	Very high	95.3	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	162.7	177.9	0	0	0	0	0	116.2	C473 L801 V802 L803	C473-G592 CarbonylContact O-C 3.6Å; C473-G592 WeakPolarHBondContact O-CA 3.13Å; G592-L801 PolarHBondContact N-O 3.35Å; G592-V802 WeakPolarHBondContact O-CA 3.2Å; G592-L803 PolarHBondContact O-N 2.91Å
593	M	98.7	Very high	95.4	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.005	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.9	177	177.8	52.5	161.1	0	0	110.7	C473 L474 V475 F731 L803 V818 V822	C473-M593 PolarHBondContact O-N 3.11Å; L474-M593 WeakPolarHBondContact CA-O 3.42Å; L474-M593 HydrophobicContact CD1-CB 4.02Å; L474-M593 HydrophobicContact CD1-CG 4.03Å; V475-M593 PolarHBondContact N-O 3.47Å; M593-F731 HydrophobicContact CE-CE2 4.47Å; M593-L803 HydrophobicContact SD-CB 3.62Å; M593-V818 HydrophobicContact CE-CB 4.14Å; M593-V818 HydrophobicContact CE-CG1 3.55Å; M593-V818 HydrophobicContact CE-CG2 3.65Å; M593-V822 HydrophobicContact CB-CG2 4.02Å; M593-V822 HydrophobicContact CG-CG2 3.91Å
594	A	98.8	Very high	95.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	97.6	170.7	0	0	0	0	0	110.5	V475 L577 V580 I596 L803 A804 L805	V475-A594 HydrophobicContact CG1-CB 3.79Å; L577-A594 HydrophobicContact CB-CB 4.3Å; L577-A594 HydrophobicContact CD1-CB 3.85Å; V580-A594 HydrophobicContact CG2-CB 4.1Å; A594-I596 VanDerWaalsContact C-N 3.26Å; A594-I596 HydrophobicContact CB-CD1 4.39Å; A594-I596 HydrophobicContact CB-CG1 4.41Å; A594-I596 HydrophobicContact CB-CG2 3.95Å; A594-I596 PolarHBondContact O-N 3.08Å; A594-L803 PolarHBondContact N-O 2.93Å; A594-A804 HydrophobicContact CB-CB 4.45Å; A594-L805 PolarHBondContact O-N 3.33Å
595	L	98.6	Very high	95.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.			trans	-83	74.8	175.7	-172.6	63.7	0	0	0	109.6	L474 V475 Y476 M480 I498 T501 Y502 L505 L805 V818	L474-L595 HydrophobicContact CD1-CB 4.4Å; V475-L595 WeakPolarHBondContact O-CB 3.19Å; V475-L595 PolarHBondContact O-N 3.35Å; Y476-L595 HydrophobicContact CD2-CD2 3.76Å; Y476-L595 HydrophobicContact CD2-CG 4.15Å; Y476-L595 HydrophobicContact CE2-CD2 4.48Å; Y476-L595 HydrophobicContact CG-CD2 4.47Å; M480-L595 WeakPolarHBondContact CE-O 3.38Å; I498-L595 HydrophobicContact CB-CG 4.13Å; I498-L595 HydrophobicContact CG2-CD1 4.22Å; I498-L595 HydrophobicContact CG2-CG 4.11Å; T501-L595 HydrophobicContact CG2-CD1 3.61Å; T501-L595 HydrophobicContact CG2-CD2 4.02Å; Y502-L595 HydrophobicContact CD2-CD2 4.24Å; Y502-L595 HydrophobicContact CG-CD2 4.43Å; L505-L595 HydrophobicContact CD1-CD2 4.37Å; L595-L805 HydrophobicContact CD1-CD2 3.91Å; L595-V818 HydrophobicContact CD1-CG1 4.44Å
596	I	98.6	Very high	96	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.095	C	C	.	.			trans	-113	160	-169	61.3	174.3	0	0	0	112.9	V475 M480 A573 L577 A594 N616 A804	V475-I596 HydrophobicContact CG1-CG2 4.48Å; M480-I596 HydrophobicContact CE-CB 4.42Å; M480-I596 HydrophobicContact CE-CG2 4.12Å; M480-I596 HydrophobicContact SD-CB 3.91Å; M480-I596 HydrophobicContact SD-CG2 4.03Å; A573-I596 HydrophobicContact CB-CB 4.16Å; A573-I596 HydrophobicContact CB-CD1 4.45Å; L577-I596 HydrophobicContact CB-CD1 4.16Å; A594-I596 VanDerWaalsContact C-N 3.26Å; A594-I596 HydrophobicContact CB-CD1 4.39Å; A594-I596 HydrophobicContact CB-CG1 4.41Å; A594-I596 HydrophobicContact CB-CG2 3.95Å; A594-I596 PolarHBondContact O-N 3.08Å; I596-N616 HydrophobicContact CD1-CB 4.15Å; I596-A804 HydrophobicContact CD1-CB 4.34Å
597	R	97.9	Very high	96.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-160.9	151.9	164.5	61.8	177.3	-66.9	-93.1	4.9	109.7	M480 H483 E493 N494 I498 Y561	M480-R597 HydrophobicContact CB-CG 4.04Å; M480-R597 WeakPolarHBondContact CB-O 3.43Å; M480-R597 WeakPolarHBondContact CG-O 3.34Å; M480-R597 PolarHBondContact O-NH1 3.09Å; M480-R597 PolarHBondContact SD-N 2.7Å; M480-R597 VanDerWaalsContact SD-O 3.38Å; H483-R597 PolarHBondContact O-NH1 2.83Å; H483-R597 PolarHBondContact O-NH2 3.16Å; E493-R597 IonicContact OE1-CZ 3.97Å; E493-R597 VanDerWaalsContact OE1-CZ 3.25Å; E493-R597 IonicContact OE1-NE 3.16Å; E493-R597 PolarHBondContact OE1-NE 3.42Å; E493-R597 IonicContact OE1-NH2 3.03Å; E493-R597 PolarHBondContact OE1-NH2 3.49Å; E493-R597 IonicContact OE2-CZ 3.27Å; E493-R597 IonicContact OE2-NE 3.07Å; E493-R597 IonicContact OE2-NH2 2.66Å; E493-R597 PolarHBondContact OE2-NH2 3.05Å; N494-R597 PolarHBondContact O-NE 3.11Å; I498-R597 HydrophobicContact CD1-CG 3.82Å; I498-R597 HydrophobicContact CG1-CG 4.1Å; I498-R597 HydrophobicContact CG2-CB 4.23Å; I498-R597 HydrophobicContact CG2-CG 3.91Å; Y561-R597 PolarHBondContact OH-NH2 2.61Å
598	P	98.2	Very high	97	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.013	10%	0.096	C	C	.	.	S	Bend	cis	-66.9	160.8	0.7	28.1	-34.9	0	0	0	113.7	A570 F613 N616	A570-P598 HydrophobicContact CB-CG 4.15Å; P598-F613 HydrophobicContact CB-CD2 3.77Å; P598-F613 HydrophobicContact CB-CE2 3.83Å; P598-F613 HydrophobicContact CG-CD2 3.54Å; P598-F613 HydrophobicContact CG-CE2 3.92Å; P598-N616 PolarHBondContact O-ND2 3.25Å
599	P	98.3	Very high	97.5	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.019	8%	0.084	C	C	.	.			trans	-65.3	174.3	174.2	30.1	-35.6	0	0	0	111.8	F611 C612 E806	P599-F611 HydrophobicContact CG-CB 3.89Å; P599-C612 WeakPolarHBondContact O-CA 3.44Å; P599-E806 WeakPolarHBondContact CA-OE2 3.37Å; P599-E806 WeakPolarHBondContact CB-OE2 3.32Å
600	G	98.3	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.			trans	-133.7	-26.5	-173.6	0	0	0	0	0	117.9	H602 A603 C612 F614 N615 N616 E806	G600-H602 VanDerWaalsContact C-N 3.26Å; G600-H602 PolarHBondContact O-N 3.43Å; G600-A603 WeakPolarHBondContact O-CB 3.44Å; G600-A603 PolarHBondContact O-N 3.28Å; G600-C612 PolarHBondContact N-SG 3.24Å; G600-C612 VanDerWaalsContact N-SG 3.39Å; G600-F614 WeakPolarHBondContact CA-O 3.4Å; G600-N615 WeakPolarHBondContact O-CA 3.13Å; G600-N616 PolarHBondContact N-ND2 3.46Å; G600-E806 PolarHBondContact N-OE2 2.53Å
601	H	98.4	Very high	97.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.6	-164.8	74.3	154.4	0	0	0	116.6	D637 D639 H641 G643 G645 T646 E806	H601-D637 IonicContact CG-OD2 3.7Å; H601-D637 IonicContact ND1-OD1 2.71Å; H601-D637 IonicContact ND1-OD2 2.72Å; H601-D637 PolarHBondContact ND1-OD2 3.04Å; H601-D637 VanDerWaalsContact ND1-OD2 3.12Å; H601-D639 IonicContact CE1-OD1 3.02Å; H601-D639 IonicContact CE1-OD2 3.25Å; H601-D639 IonicContact NE2-OD2 3.88Å; H601-H641 PolarHBondContact CE1-O 2.96Å; H601-G643 WeakPolarHBondContact ND1-CA 3.22Å; H601-G643 CarbonylContact O-C 3.46Å; H601-G645 WeakPolarHBondContact O-CA 3.45Å; H601-G645 PolarHBondContact O-N 3.24Å; H601-G645 VanDerWaalsContact O-N 3.09Å; H601-T646 PolarHBondContact O-N 2.85Å; H601-T646 VanDerWaalsContact O-N 3.13Å; H601-T646 PolarHBondContact O-OG1 2.82Å; H601-E806 IonicContact CD2-OE2 3.62Å; H601-E806 PolarHBondContact N-OE2 3.23Å
602	H	98.4	Very high	98	Very high	5 Å²	5	17.7 Å²	17.7	2%	0.023	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.4	174.9	-66.7	-58.5	0	0	0	114.2	G600 L604 M609 G610 C612 H642 N644 F670	G600-H602 VanDerWaalsContact C-N 3.26Å; G600-H602 PolarHBondContact O-N 3.43Å; H602-L604 PolarHBondContact O-N 2.67Å; H602-M609 HydrophobicContact CB-CG 4.17Å; H602-M609 WeakPolarHBondContact CB-O 3.3Å; H602-M609 VanDerWaalsContact O-CG 3.31Å; H602-M609 WeakPolarHBondContact O-CG 3.47Å; H602-G610 PolarHBondContact CD2-O 2.74Å; H602-C612 HydrophobicContact CB-CB 3.96Å; H602-C612 PolarHBondContact N-SG 3.05Å; H602-C612 VanDerWaalsContact N-SG 3.44Å; H602-H642 PolarHBondContact CE1-O 3.13Å; H602-H642 PolarHBondContact ND1-O 3.11Å; H602-N644 PolarHBondContact ND1-OD1 2.88Å; H602-F670 AromaticContact CD2-CE1 3.94Å; H602-F670 AromaticContact CE1-CE1 3.58Å; H602-F670 AromaticContact ND1-CE1 3.97Å; H602-F670 AromaticContact NE2-CE1 3.49Å; H602-F670 WeakPolarHBondContact NE2-CE1 3.32Å
603	A	98.5	Very high	98	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.081	C	C	.	.			trans	-70.4	116.9	179.8	0	0	0	0	0	110	G600 C612 N615 G645	G600-A603 WeakPolarHBondContact O-CB 3.44Å; G600-A603 PolarHBondContact O-N 3.28Å; A603-C612 HydrophobicContact CB-CB 3.89Å; A603-N615 HydrophobicContact CB-CB 4.17Å; A603-N615 PolarHBondContact O-ND2 3.4Å; A603-G645 WeakPolarHBondContact O-CA 3.42Å
604	L	98	Very high	98	Very high	23 Å²	23	17.8 Å²	17.8	12%	0.12	8%	0.081	C	C	.	.			trans	-75.8	177.5	176.6	-53.5	-176.6	0	0	0	110.4	H531 H602 D606 R607 M609 N644 E648	H531-L604 PolarHBondContact CE1-O 2.87Å; H531-L604 PolarHBondContact ND1-O 3.46Å; H602-L604 PolarHBondContact O-N 2.67Å; L604-D606 PolarHBondContact O-N 3.24Å; L604-R607 HydrophobicContact CB-CB 4.32Å; L604-R607 HydrophobicContact CD1-CB 4.27Å; L604-R607 PolarHBondContact N-O 2.99Å; L604-M609 HydrophobicContact CD1-SD 4.47Å; L604-M609 HydrophobicContact CG-SD 4.49Å; L604-N644 VanDerWaalsContact CD2-ND2 3.33Å; L604-N644 WeakPolarHBondContact CD2-ND2 3.24Å; L604-E648 VanDerWaalsContact CD2-OE2 3.25Å; L604-E648 WeakPolarHBondContact CD2-OE2 3.45Å
605	K	98.1	Very high	98	Very high	63 Å²	63	17.8 Å²	17.8	27%	0.274	8%	0.081	S	C	.	.	S	Bend	trans	-57.8	-34.6	176.2	-67.3	174.2	-173.1	162.9	0	112	H531 T532 E648 I649	H531-K605 CarbonylContact C-O 3.53Å; H531-K605 VanDerWaalsContact CA-O 3.25Å; H531-K605 WeakPolarHBondContact CA-O 3.42Å; H531-K605 PolarHBondContact ND1-O 3.37Å; T532-K605 HydrophobicContact CG2-CB 4.47Å; T532-K605 PolarHBondContact N-O 3.37Å; K605-E648 VanDerWaalsContact CE-O 3.28Å; K605-E648 WeakPolarHBondContact CE-O 3.39Å; K605-E648 PolarHBondContact NZ-O 3.18Å; K605-I649 HydrophobicContact CG-CG1 3.81Å
606	D	97.8	Very high	98	Very high	93 Å²	93	17.9 Å²	17.9	50%	0.497	8%	0.082	S	C	.	.	S	Bend	trans	-132.3	11.2	-170.8	68.6	-15.1	0	0	0	115.1	T532 Y535 L604	T532-D606 HydrophobicContact CG2-CB 4.06Å; Y535-D606 WeakPolarHBondContact CD2-O 3.22Å; L604-D606 PolarHBondContact O-N 3.24Å
607	R	96.9	Very high	98	Very high	132 Å²	132	18 Å²	18	50%	0.498	8%	0.082	S	C	.	.			trans	-150.2	143.1	-177.1	-161.3	-177.2	-65.9	-151.2	-2.1	113.8	Y535 E557 L604	Y535-R607 VanDerWaalsContact CE2-CA 3.46Å; E557-R607 WeakPolarHBondContact OE2-CG 3.42Å; L604-R607 HydrophobicContact CB-CB 4.32Å; L604-R607 HydrophobicContact CD1-CB 4.27Å; L604-R607 PolarHBondContact N-O 2.99Å
608	C	97.6	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.			trans	-90.2	143.1	168	52.9	0	0	0	0	111	Y535 C612 F613	Y535-C608 WeakPolarHBondContact OH-CA 3.35Å; Y535-C608 WeakPolarHBondContact OH-CB 3.36Å; Y535-C608 PolarHBondContact OH-N 2.87Å; Y535-C608 VanDerWaalsContact OH-N 3.11Å; C608-C612 VanDerWaalsContact CA-O 3.26Å; C608-C612 WeakPolarHBondContact CA-O 3.21Å; C608-C612 WeakPolarHBondContact CB-O 3.32Å; C608-F613 HydrophobicContact CB-CD1 4.24Å
609	M	97.4	Very high	98.1	Very high	22 Å²	22	17.9 Å²	17.9	11%	0.108	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-165.7	165.6	170.5	57.9	178.1	-71.3	0	0	110.2	N558 H602 L604 F611 C612 F670 P671	N558-M609 HydrophobicContact CB-CB 4.28Å; N558-M609 WeakPolarHBondContact O-CA 3.38Å; H602-M609 HydrophobicContact CB-CG 4.17Å; H602-M609 WeakPolarHBondContact CB-O 3.3Å; H602-M609 VanDerWaalsContact O-CG 3.31Å; H602-M609 WeakPolarHBondContact O-CG 3.47Å; L604-M609 HydrophobicContact CD1-SD 4.47Å; L604-M609 HydrophobicContact CG-SD 4.49Å; M609-F611 VanDerWaalsContact C-N 3.32Å; M609-F611 PolarHBondContact O-N 2.93Å; M609-C612 PolarHBondContact N-O 3Å; M609-C612 WeakPolarHBondContact O-CB 3.35Å; M609-C612 PolarHBondContact O-N 3.42Å; M609-F670 HydrophobicContact CE-CE2 4.19Å; M609-F670 HydrophobicContact CE-CZ 3.77Å; M609-P671 HydrophobicContact CE-CB 3.98Å
610	G	96	Very high	98.1	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.031	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	43.7	172.2	0	0	0	0	0	112.5	N558 H602 C612	N558-G610 PolarHBondContact O-N 3.32Å; H602-G610 PolarHBondContact CD2-O 2.74Å; G610-C612 PolarHBondContact O-N 3.16Å; G610-C612 VanDerWaalsContact O-N 3.13Å; G610-C612 PolarHBondContact O-SG 3.04Å; G610-C612 VanDerWaalsContact O-SG 3.39Å
611	F	97.2	Very high	98.2	Very high	24 Å²	24	17.7 Å²	17.7	11%	0.105	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-0	-172.5	-35.8	-53.1	0	0	0	116.7	Y491 P492 E493 S559 P599 M609 F613 Y809	Y491-F611 HydrophobicContact CD1-CE1 4.39Å; Y491-F611 AromaticContact CE1-CD1 3.61Å; Y491-F611 HydrophobicContact CE1-CD1 3.61Å; Y491-F611 AromaticContact CE1-CE1 3.35Å; Y491-F611 HydrophobicContact CE1-CE1 3.35Å; Y491-F611 HydrophobicContact CE1-CZ 4.35Å; Y491-F611 AromaticContact CZ-CE1 3.61Å; Y491-F611 WeakPolarHBondContact OH-CE1 3.44Å; P492-F611 HydrophobicContact CB-CZ 4.37Å; E493-F611 HydrophobicContact CB-CB 4.05Å; E493-F611 HydrophobicContact CB-CD1 3.94Å; E493-F611 HydrophobicContact CB-CD2 4.05Å; E493-F611 HydrophobicContact CB-CE1 4.41Å; E493-F611 HydrophobicContact CB-CE2 4.47Å; E493-F611 HydrophobicContact CB-CG 3.74Å; E493-F611 HydrophobicContact CG-CB 3.84Å; E493-F611 HydrophobicContact CG-CD2 4.4Å; E493-F611 HydrophobicContact CG-CG 4.07Å; S559-F611 WeakPolarHBondContact O-CD1 3.28Å; S559-F611 PolarHBondContact O-N 3.43Å; P599-F611 HydrophobicContact CG-CB 3.89Å; M609-F611 VanDerWaalsContact C-N 3.32Å; M609-F611 PolarHBondContact O-N 2.93Å; F611-F613 WeakPolarHBondContact O-CE2 3.4Å; F611-Y809 HydrophobicContact CD2-CE1 4.13Å; F611-Y809 AromaticContact CD2-CZ 3.9Å; F611-Y809 VanDerWaalsContact CD2-OH 3.23Å; F611-Y809 WeakPolarHBondContact CD2-OH 3.43Å; F611-Y809 AromaticContact CE2-CE1 3.94Å; F611-Y809 HydrophobicContact CE2-CE1 3.94Å; F611-Y809 HydrophobicContact CE2-CE2 4.42Å; F611-Y809 AromaticContact CE2-CZ 3.66Å; F611-Y809 WeakPolarHBondContact CE2-OH 3.24Å
612	C	98.3	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.09	C	C	.	.	B	Isolated β-bridge	trans	-99.6	133.6	-175.1	-58.6	0	0	0	0	112.5	P599 G600 H602 A603 C608 M609 G610	P599-C612 WeakPolarHBondContact O-CA 3.44Å; G600-C612 PolarHBondContact N-SG 3.24Å; G600-C612 VanDerWaalsContact N-SG 3.39Å; H602-C612 HydrophobicContact CB-CB 3.96Å; H602-C612 PolarHBondContact N-SG 3.05Å; H602-C612 VanDerWaalsContact N-SG 3.44Å; A603-C612 HydrophobicContact CB-CB 3.89Å; C608-C612 VanDerWaalsContact CA-O 3.26Å; C608-C612 WeakPolarHBondContact CA-O 3.21Å; C608-C612 WeakPolarHBondContact CB-O 3.32Å; M609-C612 PolarHBondContact N-O 3Å; M609-C612 WeakPolarHBondContact O-CB 3.35Å; M609-C612 PolarHBondContact O-N 3.42Å; G610-C612 PolarHBondContact O-N 3.16Å; G610-C612 VanDerWaalsContact O-N 3.13Å; G610-C612 PolarHBondContact O-SG 3.04Å; G610-C612 VanDerWaalsContact O-SG 3.39Å
613	F	98.3	Very high	98.2	Very high	1 Å²	1	20.1 Å²	20.1	0%	0.004	9%	0.09	C	C	.	.	S	Bend	trans	-112.4	-43.3	179.4	-55.4	-89.5	0	0	0	112.9	H483 Y535 V560 Y561 F562 T566 A570 P598 C608 F611	H483-F613 AromaticContact CE1-CE2 3.6Å; H483-F613 AromaticContact CE1-CZ 3.59Å; H483-F613 AromaticContact NE2-CE2 3.57Å; H483-F613 AromaticContact NE2-CZ 3.96Å; Y535-F613 WeakPolarHBondContact CE1-O 3.39Å; Y535-F613 PolarHBondContact OH-O 2.89Å; V560-F613 HydrophobicContact CB-CE1 4.39Å; V560-F613 HydrophobicContact CB-CZ 4.43Å; Y561-F613 WeakPolarHBondContact O-CZ 3.46Å; F562-F613 HydrophobicContact CD1-CD1 4.46Å; F562-F613 AromaticContact CD1-CE1 3.94Å; F562-F613 HydrophobicContact CD1-CE1 3.94Å; F562-F613 HydrophobicContact CD2-CE1 4.35Å; F562-F613 AromaticContact CE1-CD1 3.62Å; F562-F613 HydrophobicContact CE1-CD1 3.62Å; F562-F613 AromaticContact CE1-CE1 3.43Å; F562-F613 HydrophobicContact CE1-CE1 3.43Å; F562-F613 VanDerWaalsContact CE1-CE1 3.43Å; F562-F613 AromaticContact CE2-CE1 3.9Å; F562-F613 HydrophobicContact CE2-CE1 3.9Å; F562-F613 HydrophobicContact CG-CE1 4.37Å; F562-F613 AromaticContact CZ-CD1 3.68Å; F562-F613 HydrophobicContact CZ-CD1 3.68Å; F562-F613 AromaticContact CZ-CE1 3.41Å; F562-F613 HydrophobicContact CZ-CE1 3.41Å; F562-F613 VanDerWaalsContact CZ-CE1 3.41Å; T566-F613 HydrophobicContact CG2-CD1 3.88Å; T566-F613 HydrophobicContact CG2-CD2 4.25Å; T566-F613 HydrophobicContact CG2-CE1 3.44Å; T566-F613 VanDerWaalsContact CG2-CE1 3.44Å; T566-F613 HydrophobicContact CG2-CE2 3.85Å; T566-F613 HydrophobicContact CG2-CG 4.27Å; T566-F613 HydrophobicContact CG2-CZ 3.43Å; T566-F613 VanDerWaalsContact CG2-CZ 3.43Å; A570-F613 HydrophobicContact CB-CB 3.9Å; A570-F613 HydrophobicContact CB-CG 4.45Å; P598-F613 HydrophobicContact CB-CD2 3.77Å; P598-F613 HydrophobicContact CB-CE2 3.83Å; P598-F613 HydrophobicContact CG-CD2 3.54Å; P598-F613 HydrophobicContact CG-CE2 3.92Å; C608-F613 HydrophobicContact CB-CD1 4.24Å; F611-F613 WeakPolarHBondContact O-CE2 3.4Å
614	F	98.7	Very high	98.1	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.009	9%	0.09	C	C	.	.	S	Bend	trans	-127.9	140.4	171.4	-65.7	-50.8	0	0	0	108.9	L527 H531 Y535 V536 I539 Y567 A570 L571 G600 N616 I619	L527-F614 HydrophobicContact CD1-CD1 4.47Å; L527-F614 HydrophobicContact CD1-CD2 4.32Å; L527-F614 HydrophobicContact CD1-CE1 3.96Å; L527-F614 HydrophobicContact CD1-CE2 3.79Å; L527-F614 HydrophobicContact CD1-CZ 3.59Å; L527-F614 HydrophobicContact CD2-CB 4.44Å; L527-F614 HydrophobicContact CD2-CD1 4.28Å; L527-F614 HydrophobicContact CD2-CD2 3.89Å; L527-F614 HydrophobicContact CD2-CE2 4.22Å; L527-F614 HydrophobicContact CD2-CG 3.95Å; H531-F614 AromaticContact CD2-CD1 3.66Å; H531-F614 WeakPolarHBondContact NE2-CA 3.44Å; H531-F614 AromaticContact NE2-CD1 3.83Å; Y535-F614 HydrophobicContact CE1-CD1 4.19Å; Y535-F614 HydrophobicContact CE1-CE1 4.16Å; V536-F614 HydrophobicContact CG2-CE1 4.32Å; I539-F614 HydrophobicContact CB-CE1 4.39Å; I539-F614 HydrophobicContact CB-CZ 4.1Å; I539-F614 HydrophobicContact CG2-CE1 4.45Å; I539-F614 HydrophobicContact CG2-CE2 4.37Å; I539-F614 HydrophobicContact CG2-CZ 3.86Å; Y567-F614 HydrophobicContact CD2-CE2 4.07Å; Y567-F614 HydrophobicContact CD2-CZ 4.19Å; Y567-F614 AromaticContact CE2-CE2 3.99Å; Y567-F614 HydrophobicContact CE2-CE2 3.99Å; Y567-F614 AromaticContact CE2-CZ 3.93Å; Y567-F614 HydrophobicContact CE2-CZ 3.93Å; A570-F614 HydrophobicContact CB-CD2 3.71Å; A570-F614 HydrophobicContact CB-CE2 4.03Å; L571-F614 HydrophobicContact CD2-CE2 3.93Å; G600-F614 WeakPolarHBondContact CA-O 3.4Å; F614-N616 VanDerWaalsContact C-N 3.33Å; F614-N616 PolarHBondContact O-N 2.77Å; F614-I619 HydrophobicContact CB-CD1 3.91Å
615	N	98.8	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.091	C	C	.	.			trans	-78.5	87	-179.5	-166	-44.2	0	0	0	110	H531 G600 A603 V617 A618 I619 T646 I649	H531-N615 PolarHBondContact NE2-N 3.14Å; G600-N615 WeakPolarHBondContact O-CA 3.13Å; A603-N615 HydrophobicContact CB-CB 4.17Å; A603-N615 PolarHBondContact O-ND2 3.4Å; N615-V617 VanDerWaalsContact C-N 3.32Å; N615-V617 PolarHBondContact O-N 3.38Å; N615-A618 HydrophobicContact CB-CB 3.9Å; N615-A618 VanDerWaalsContact CG-CB 3.42Å; N615-A618 PolarHBondContact O-N 3.43Å; N615-A618 WeakPolarHBondContact OD1-CB 3.22Å; N615-A618 PolarHBondContact OD1-N 2.91Å; N615-I619 WeakPolarHBondContact O-CB 3.49Å; N615-I619 WeakPolarHBondContact O-CD1 3.49Å; N615-I619 VanDerWaalsContact O-CG1 3.24Å; N615-I619 WeakPolarHBondContact O-CG1 3.34Å; N615-I619 PolarHBondContact O-N 2.9Å; N615-T646 WeakPolarHBondContact ND2-CA 3.43Å; N615-T646 PolarHBondContact ND2-N 2.97Å; N615-T646 VanDerWaalsContact ND2-N 3.11Å; N615-T646 PolarHBondContact ND2-OG1 2.96Å; N615-T646 PolarHBondContact OD1-OG1 2.94Å; N615-I649 HydrophobicContact CB-CD1 3.84Å
616	N	98.8	Very high	97.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.011	10%	0.104	C	C	.	.	H	α-helix	trans	-49.8	-52.1	-175.7	-61.3	-44.9	0	0	0	111.5	S574 L577 I596 P598 G600 F614 I619 G620	S574-N616 WeakPolarHBondContact CA-OD1 3.44Å; S574-N616 WeakPolarHBondContact CB-OD1 3.47Å; S574-N616 PolarHBondContact N-OD1 3.45Å; S574-N616 VanDerWaalsContact N-OD1 3.13Å; S574-N616 PolarHBondContact OG-OD1 3.49Å; L577-N616 HydrophobicContact CD2-CB 3.85Å; L577-N616 WeakPolarHBondContact CD2-O 3.29Å; I596-N616 HydrophobicContact CD1-CB 4.15Å; P598-N616 PolarHBondContact O-ND2 3.25Å; G600-N616 PolarHBondContact N-ND2 3.46Å; F614-N616 VanDerWaalsContact C-N 3.33Å; F614-N616 PolarHBondContact O-N 2.77Å; N616-I619 PolarHBondContact O-N 2.97Å; N616-G620 PolarHBondContact O-N 2.95Å
617	V	98.8	Very high	97.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-68.3	-41.2	-176.2	171.4	0	0	0	0	111.8	L577 N615 G620 A621 I635 L726 S728 A804	L577-V617 HydrophobicContact CD2-CG2 4.05Å; N615-V617 VanDerWaalsContact C-N 3.32Å; N615-V617 PolarHBondContact O-N 3.38Å; V617-G620 CarbonylContact O-C 3.55Å; V617-G620 WeakPolarHBondContact O-CA 3.1Å; V617-G620 PolarHBondContact O-N 3.49Å; V617-G620 VanDerWaalsContact O-N 3.15Å; V617-A621 PolarHBondContact O-N 3.25Å; V617-I635 HydrophobicContact CG1-CB 4.48Å; V617-I635 HydrophobicContact CG1-CD1 4.11Å; V617-I635 HydrophobicContact CG1-CG1 4.09Å; V617-I635 HydrophobicContact CG1-CG2 3.61Å; V617-L726 HydrophobicContact CG1-CB 3.89Å; V617-L726 HydrophobicContact CG1-CD1 4.07Å; V617-S728 WeakPolarHBondContact CG2-OG 3.3Å; V617-A804 HydrophobicContact CG2-CB 3.89Å
618	A	98.9	Very high	97.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.6	-41.2	176.7	0	0	0	0	0	112.8	V530 N615 G620 A621 R622 I649 F650	V530-A618 HydrophobicContact CG1-CB 4.03Å; N615-A618 HydrophobicContact CB-CB 3.9Å; N615-A618 VanDerWaalsContact CG-CB 3.42Å; N615-A618 PolarHBondContact O-N 3.43Å; N615-A618 WeakPolarHBondContact OD1-CB 3.22Å; N615-A618 PolarHBondContact OD1-N 2.91Å; A618-G620 PolarHBondContact O-N 2.9Å; A618-A621 PolarHBondContact O-N 3.5Å; A618-R622 PolarHBondContact O-N 2.87Å; A618-I649 HydrophobicContact CB-CB 4.47Å; A618-I649 HydrophobicContact CB-CD1 3.74Å; A618-I649 HydrophobicContact CB-CG2 4.06Å; A618-F650 HydrophobicContact CB-CE2 3.44Å; A618-F650 VanDerWaalsContact CB-CE2 3.44Å; A618-F650 HydrophobicContact CB-CZ 3.74Å
619	I	98.9	Very high	97	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.7	-42.1	171	-67	163.1	0	0	0	109.8	E526 L527 V530 L578 F614 N615 N616 H623	E526-I619 HydrophobicContact CB-CG2 4.47Å; L527-I619 HydrophobicContact CD2-CD1 3.78Å; V530-I619 HydrophobicContact CG2-CD1 4.34Å; V530-I619 HydrophobicContact CG2-CG1 3.45Å; V530-I619 VanDerWaalsContact CG2-CG1 3.45Å; L578-I619 HydrophobicContact CD1-CG2 4.02Å; L578-I619 HydrophobicContact CD2-CG2 4.18Å; L578-I619 HydrophobicContact CG-CG2 4.42Å; F614-I619 HydrophobicContact CB-CD1 3.91Å; N615-I619 WeakPolarHBondContact O-CB 3.49Å; N615-I619 WeakPolarHBondContact O-CD1 3.49Å; N615-I619 VanDerWaalsContact O-CG1 3.24Å; N615-I619 WeakPolarHBondContact O-CG1 3.34Å; N615-I619 PolarHBondContact O-N 2.9Å; N616-I619 PolarHBondContact O-N 2.97Å; I619-H623 VanDerWaalsContact O-CB 3.26Å; I619-H623 WeakPolarHBondContact O-CB 3.45Å; I619-H623 PolarHBondContact O-N 3.43Å
620	G	98.8	Very high	96.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-48.3	175.4	0	0	0	0	0	113.7	N616 V617 A618 H623 A624	N616-G620 PolarHBondContact O-N 2.95Å; V617-G620 CarbonylContact O-C 3.55Å; V617-G620 WeakPolarHBondContact O-CA 3.1Å; V617-G620 PolarHBondContact O-N 3.49Å; V617-G620 VanDerWaalsContact O-N 3.15Å; A618-G620 PolarHBondContact O-N 2.9Å; G620-H623 WeakPolarHBondContact O-CB 3.42Å; G620-H623 PolarHBondContact O-N 3.37Å; G620-A624 PolarHBondContact O-N 3.22Å
621	A	98.8	Very high	96.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-50.8	177.2	0	0	0	0	0	111	V617 A618 H623 A624 Q625 I633 I635 F650 I656 L726	V617-A621 PolarHBondContact O-N 3.25Å; A618-A621 PolarHBondContact O-N 3.5Å; A621-H623 VanDerWaalsContact C-N 3.26Å; A621-H623 PolarHBondContact O-N 3.47Å; A621-A624 PolarHBondContact O-N 2.78Å; A621-Q625 WeakPolarHBondContact O-CG 3.46Å; A621-Q625 PolarHBondContact O-N 3.3Å; A621-I633 HydrophobicContact CB-CD1 4.21Å; A621-I633 HydrophobicContact CB-CG2 4.24Å; A621-I633 VanDerWaalsContact O-CD1 3.29Å; A621-I633 WeakPolarHBondContact O-CD1 3.26Å; A621-I635 HydrophobicContact CB-CD1 4.13Å; A621-F650 HydrophobicContact CB-CE2 4.43Å; A621-F650 HydrophobicContact CB-CZ 3.87Å; A621-I656 HydrophobicContact CB-CD1 4.3Å; A621-L726 HydrophobicContact CB-CD1 3.93Å
622	R	98.7	Very high	96.8	Very high	51 Å²	51	25.1 Å²	25.1	19%	0.192	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-32.5	176.5	-67.3	-58.5	-170.7	-162.2	-6.1	112.7	R529 V530 A618 Q626 F650 D653	R529-R622 HydrophobicContact CB-CB 3.74Å; R529-R622 HydrophobicContact CB-CG 4.29Å; R529-R622 HydrophobicContact CG-CB 4.44Å; V530-R622 HydrophobicContact CG1-CB 4.26Å; V530-R622 HydrophobicContact CG1-CG 3.52Å; A618-R622 PolarHBondContact O-N 2.87Å; R622-Q626 WeakPolarHBondContact O-CB 3.45Å; R622-Q626 VanDerWaalsContact O-CG 3.26Å; R622-Q626 WeakPolarHBondContact O-CG 3.41Å; R622-Q626 PolarHBondContact O-N 3.14Å; R622-F650 HydrophobicContact CG-CE1 4.21Å; R622-F650 HydrophobicContact CG-CZ 4.37Å; R622-D653 IonicContact CZ-OD2 3.94Å; R622-D653 IonicContact NH1-OD2 3.9Å; R622-D653 PolarHBondContact NH1-OD2 3.35Å; R622-D653 IonicContact NH2-OD2 3.15Å; R622-D653 PolarHBondContact NH2-OD2 3.41Å
623	H	98.3	Very high	96.8	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	13%	0.129	C	C	.	.	H	α-helix	trans	-60.7	-52.6	172.8	-175.5	111.3	0	0	0	110.8	E526 R529 L578 D582 I619 G620 A621 Q625 Q626 V627	E526-H623 IonicContact OE1-CE1 2.73Å; E526-H623 PolarHBondContact OE1-CE1 3.5Å; E526-H623 IonicContact OE1-ND1 2.64Å; E526-H623 PolarHBondContact OE1-ND1 3.47Å; R529-H623 PolarHBondContact NH1-ND1 3.27Å; L578-H623 HydrophobicContact CD2-CB 3.43Å; L578-H623 VanDerWaalsContact CD2-CB 3.43Å; D582-H623 IonicContact OD1-CD2 3.21Å; D582-H623 IonicContact OD1-CE1 3.11Å; D582-H623 IonicContact OD1-NE2 2.96Å; D582-H623 PolarHBondContact OD1-NE2 3.05Å; I619-H623 VanDerWaalsContact O-CB 3.26Å; I619-H623 WeakPolarHBondContact O-CB 3.45Å; I619-H623 PolarHBondContact O-N 3.43Å; G620-H623 WeakPolarHBondContact O-CB 3.42Å; G620-H623 PolarHBondContact O-N 3.37Å; A621-H623 VanDerWaalsContact C-N 3.26Å; A621-H623 PolarHBondContact O-N 3.47Å; H623-Q625 VanDerWaalsContact C-N 3.33Å; H623-Q625 PolarHBondContact O-N 3.07Å; H623-Q626 PolarHBondContact O-N 3.02Å; H623-V627 WeakPolarHBondContact NE2-CG2 3.18Å; H623-V627 WeakPolarHBondContact O-CB 3.25Å; H623-V627 WeakPolarHBondContact O-CG2 3.44Å; H623-V627 PolarHBondContact O-N 2.99Å
624	A	96.4	Very high	96.8	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-42.8	-179.1	0	0	0	0	0	111.8	I581 G620 A621 Y628 G629 L630 I633 L724	I581-A624 HydrophobicContact CG2-CB 4.05Å; G620-A624 PolarHBondContact O-N 3.22Å; A621-A624 PolarHBondContact O-N 2.78Å; A624-Y628 WeakPolarHBondContact O-CA 3.21Å; A624-Y628 WeakPolarHBondContact O-CB 3.28Å; A624-Y628 PolarHBondContact O-N 2.67Å; A624-G629 PolarHBondContact O-N 3.02Å; A624-L630 HydrophobicContact CB-CD1 4.11Å; A624-I633 HydrophobicContact CB-CD1 3.81Å; A624-L724 HydrophobicContact CB-CD2 3.54Å
625	Q	95.8	Very high	96.8	Very high	31 Å²	31	25 Å²	25	15%	0.145	13%	0.129	C	C	.	.	H	α-helix	trans	-62.3	-47.6	175.2	-61.8	-174.5	-49.1	0	0	112.2	A621 H623 G629 L630 E631 I633	A621-Q625 WeakPolarHBondContact O-CG 3.46Å; A621-Q625 PolarHBondContact O-N 3.3Å; H623-Q625 VanDerWaalsContact C-N 3.33Å; H623-Q625 PolarHBondContact O-N 3.07Å; Q625-G629 WeakPolarHBondContact O-CA 3.3Å; Q625-G629 PolarHBondContact O-N 3.36Å; Q625-L630 WeakPolarHBondContact CA-O 3.47Å; Q625-L630 WeakPolarHBondContact CB-O 3.47Å; Q625-L630 VanDerWaalsContact CG-O 3.26Å; Q625-L630 WeakPolarHBondContact CG-O 3.33Å; Q625-E631 PolarHBondContact NE2-O 3.2Å; Q625-E631 VanDerWaalsContact NE2-O 3.16Å; Q625-I633 HydrophobicContact CG-CD1 3.57Å; Q625-I633 HydrophobicContact CG-CG1 4.38Å
626	Q	95.2	Very high	96.8	Very high	119 Å²	119	25 Å²	25	56%	0.556	13%	0.129	S	C	*	.	H	α-helix	trans	-76.5	-33.8	-173.4	-70.6	-179.5	6.2	0	0	114.4	R622 H623	R622-Q626 WeakPolarHBondContact O-CB 3.45Å; R622-Q626 VanDerWaalsContact O-CG 3.26Å; R622-Q626 WeakPolarHBondContact O-CG 3.41Å; R622-Q626 PolarHBondContact O-N 3.14Å; H623-Q626 PolarHBondContact O-N 3.02Å
627	V	93.1	Very high	96.8	Very high	60 Å²	60	24.9 Å²	24.9	36%	0.364	13%	0.128	S	C	.	.	H	α-helix	trans	-92.5	-40.4	-175.5	178.3	0	0	0	0	111.5	H623	H623-V627 WeakPolarHBondContact NE2-CG2 3.18Å; H623-V627 WeakPolarHBondContact O-CB 3.25Å; H623-V627 WeakPolarHBondContact O-CG2 3.44Å; H623-V627 PolarHBondContact O-N 2.99Å
628	Y	91.9	Very high	96.8	Very high	18 Å²	18	24.8 Å²	24.8	7%	0.071	13%	0.128	C	C	.	.	H	α-helix	trans	-107.2	-5.3	-174.7	-63.4	-87.3	0	0	0	113.4	D582 C585 A624 L630 Y767	D582-Y628 WeakPolarHBondContact CA-OH 3.48Å; D582-Y628 PolarHBondContact O-OH 3.13Å; D582-Y628 PolarHBondContact OD1-OH 2.86Å; C585-Y628 HydrophobicContact CB-CD1 3.59Å; C585-Y628 HydrophobicContact CB-CD2 3.7Å; C585-Y628 HydrophobicContact CB-CE1 3.69Å; C585-Y628 HydrophobicContact CB-CE2 3.83Å; C585-Y628 HydrophobicContact CB-CG 3.58Å; C585-Y628 WeakPolarHBondContact O-CD1 3.39Å; C585-Y628 WeakPolarHBondContact O-CE1 3.39Å; A624-Y628 WeakPolarHBondContact O-CA 3.21Å; A624-Y628 WeakPolarHBondContact O-CB 3.28Å; A624-Y628 PolarHBondContact O-N 2.67Å; Y628-L630 PolarHBondContact O-N 2.77Å; Y628-Y767 AromaticContact CD1-CE2 3.75Å; Y628-Y767 HydrophobicContact CD1-CE2 3.75Å; Y628-Y767 AromaticContact CD1-CZ 3.92Å
629	G	91.1	Very high	96.8	Very high	50 Å²	50	24.8 Å²	24.8	52%	0.515	13%	0.128	S	C	.	.			trans	69.5	21	177.5	0	0	0	0	0	113.5	A624 Q625	A624-G629 PolarHBondContact O-N 3.02Å; Q625-G629 WeakPolarHBondContact O-CA 3.3Å; Q625-G629 PolarHBondContact O-N 3.36Å
630	L	94.1	Very high	96.7	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.026	13%	0.128	C	C	.	.			trans	-66.2	138	174.2	-54.2	-168.1	0	0	0	109.1	A624 Q625 Y628 I633 Q723 L724 Y767 Y797	A624-L630 HydrophobicContact CB-CD1 4.11Å; Q625-L630 WeakPolarHBondContact CA-O 3.47Å; Q625-L630 WeakPolarHBondContact CB-O 3.47Å; Q625-L630 VanDerWaalsContact CG-O 3.26Å; Q625-L630 WeakPolarHBondContact CG-O 3.33Å; Y628-L630 PolarHBondContact O-N 2.77Å; L630-I633 HydrophobicContact CB-CD1 4.44Å; L630-I633 HydrophobicContact CB-CG1 4.38Å; L630-Q723 HydrophobicContact CB-CB 4.41Å; L630-Q723 HydrophobicContact CD1-CB 4.27Å; L630-Q723 HydrophobicContact CD2-CB 4.17Å; L630-L724 HydrophobicContact CD1-CB 3.63Å; L630-L724 HydrophobicContact CD1-CD2 4.15Å; L630-L724 HydrophobicContact CD1-CG 4.49Å; L630-Y767 HydrophobicContact CD2-CE1 4.01Å; L630-Y797 HydrophobicContact CD1-CE1 4.02Å; L630-Y797 HydrophobicContact CD2-CD1 4.09Å; L630-Y797 HydrophobicContact CD2-CE1 3.98Å
631	E	93.6	Very high	96.7	Very high	121 Å²	121	25.4 Å²	25.4	57%	0.565	13%	0.131	S	C	*	.			trans	-96.2	-63.9	177.9	-64.1	176.5	174.4	0	0	108.4	Q625 N655	Q625-E631 PolarHBondContact NE2-O 3.2Å; Q625-E631 VanDerWaalsContact NE2-O 3.16Å; E631-N655 WeakPolarHBondContact O-CB 3.46Å
632	R	97	Very high	96.7	Very high	61 Å²	61	25.4 Å²	25.4	23%	0.23	13%	0.131	C	C	.	.			trans	-91.7	109.7	-172.9	-61.5	-162.8	-55	-76.9	2.4	112	N655 F720 R721 Q723 N763	R632-N655 WeakPolarHBondContact CA-O 3.29Å; R632-F720 HydrophobicContact CB-CE1 4Å; R632-F720 HydrophobicContact CB-CE2 4.2Å; R632-F720 HydrophobicContact CB-CZ 3.65Å; R632-F720 WeakPolarHBondContact CD-O 3.48Å; R632-F720 HydrophobicContact CG-CE2 4.22Å; R632-F720 HydrophobicContact CG-CZ 4.15Å; R632-F720 PolarHBondContact NE-O 3.26Å; R632-R721 PolarHBondContact NE-O 3.1Å; R632-R721 VanDerWaalsContact NE-O 3.16Å; R632-R721 PolarHBondContact NH2-O 2.96Å; R632-Q723 PolarHBondContact O-N 3.34Å; R632-N763 PolarHBondContact NH2-ND2 3.46Å; R632-N763 PolarHBondContact NH2-OD1 2.95Å
633	I	98.7	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.7	175.5	-57.7	-179.6	0	0	0	108.9	A621 A624 Q625 L630 N655 I656 L657 L724 L726	A621-I633 HydrophobicContact CB-CD1 4.21Å; A621-I633 HydrophobicContact CB-CG2 4.24Å; A621-I633 VanDerWaalsContact O-CD1 3.29Å; A621-I633 WeakPolarHBondContact O-CD1 3.26Å; A624-I633 HydrophobicContact CB-CD1 3.81Å; Q625-I633 HydrophobicContact CG-CD1 3.57Å; Q625-I633 HydrophobicContact CG-CG1 4.38Å; L630-I633 HydrophobicContact CB-CD1 4.44Å; L630-I633 HydrophobicContact CB-CG1 4.38Å; I633-N655 PolarHBondContact N-O 3.49Å; I633-N655 VanDerWaalsContact N-O 3.08Å; I633-I656 HydrophobicContact CB-CD1 3.75Å; I633-I656 HydrophobicContact CD1-CD1 4.41Å; I633-I656 HydrophobicContact CG1-CD1 4.36Å; I633-I656 HydrophobicContact CG2-CD1 4.5Å; I633-I656 WeakPolarHBondContact O-CA 3.08Å; I633-L657 PolarHBondContact O-N 3.34Å; I633-L724 WeakPolarHBondContact CA-O 3.49Å; I633-L724 HydrophobicContact CD1-CD2 4.47Å; I633-L724 HydrophobicContact CG1-CB 4.38Å; I633-L724 HydrophobicContact CG2-CB 4.48Å; I633-L726 HydrophobicContact CG2-CD1 4.38Å; I633-L726 HydrophobicContact CG2-CG 4.33Å
634	A	98.9	Very high	96.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.9	169.8	0	0	0	0	0	109.9	L657 L717 F720 P722 L724 I725 L726	A634-L657 CarbonylContact C-O 3.55Å; A634-L657 WeakPolarHBondContact CA-O 3.31Å; A634-L657 HydrophobicContact CB-CB 4.41Å; A634-L657 HydrophobicContact CB-CD2 4.44Å; A634-L717 HydrophobicContact CB-CD2 3.54Å; A634-F720 HydrophobicContact CB-CD1 4.33Å; A634-F720 HydrophobicContact CB-CE1 4.19Å; A634-P722 HydrophobicContact CB-CB 3.83Å; A634-P722 HydrophobicContact CB-CG 4.18Å; A634-L724 PolarHBondContact N-O 3.29Å; A634-I725 HydrophobicContact CB-CG1 4.37Å; A634-I725 CarbonylContact O-C 3.57Å; A634-I725 WeakPolarHBondContact O-CA 3.28Å; A634-L726 PolarHBondContact O-N 3.16Å
635	I	98.9	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	114.7	170.8	-59.5	170.2	0	0	0	107.5	V617 A621 T646 F650 I656 L657 Y658 I659 L726	V617-I635 HydrophobicContact CG1-CB 4.48Å; V617-I635 HydrophobicContact CG1-CD1 4.11Å; V617-I635 HydrophobicContact CG1-CG1 4.09Å; V617-I635 HydrophobicContact CG1-CG2 3.61Å; A621-I635 HydrophobicContact CB-CD1 4.13Å; I635-T646 HydrophobicContact CD1-CG2 3.91Å; I635-T646 HydrophobicContact CG2-CG2 4.07Å; I635-F650 HydrophobicContact CD1-CD2 3.83Å; I635-F650 HydrophobicContact CD1-CE2 3.51Å; I635-F650 HydrophobicContact CD1-CZ 4.33Å; I635-I656 HydrophobicContact CD1-CG2 3.85Å; I635-I656 HydrophobicContact CG1-CG2 4.34Å; I635-L657 PolarHBondContact N-O 3.27Å; I635-Y658 HydrophobicContact CB-CD2 4.01Å; I635-Y658 HydrophobicContact CG2-CD2 3.81Å; I635-Y658 HydrophobicContact CG2-CE2 4.15Å; I635-I659 PolarHBondContact O-N 2.93Å; I635-L726 CarbonylContact C-O 3.56Å; I635-L726 VanDerWaalsContact CA-O 3.26Å; I635-L726 WeakPolarHBondContact CA-O 3.31Å; I635-L726 HydrophobicContact CG1-CB 4.4Å
636	I	98.9	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.2	178.2	-50.9	-56.5	0	0	0	108.3	I659 F709 I713 L717 I725 L726 V727 S728 L756	I636-I659 HydrophobicContact CD1-CB 3.97Å; I636-I659 HydrophobicContact CD1-CD1 4.02Å; I636-I659 HydrophobicContact CD1-CG1 4.1Å; I636-F709 HydrophobicContact CG2-CE1 4.47Å; I636-F709 HydrophobicContact CG2-CZ 4.07Å; I636-I713 HydrophobicContact CD1-CG2 4.11Å; I636-L717 HydrophobicContact CD1-CD1 4.04Å; I636-L717 HydrophobicContact CD1-CD2 4.16Å; I636-L717 HydrophobicContact CG1-CD1 4.45Å; I636-I725 HydrophobicContact CG1-CG2 3.91Å; I636-L726 PolarHBondContact N-O 3.45Å; I636-V727 HydrophobicContact CB-CG2 4.42Å; I636-V727 CarbonylContact O-C 3.54Å; I636-V727 WeakPolarHBondContact O-CA 3.43Å; I636-V727 WeakPolarHBondContact O-CG1 3.47Å; I636-S728 PolarHBondContact O-N 2.89Å; I636-L756 HydrophobicContact CG1-CD2 4.08Å
637	D	98.8	Very high	97.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	98.5	-178.3	-168.3	-6.1	0	0	0	109.3	H601 D639 G643 Y658 I659 S660 V661 S728	H601-D637 IonicContact CG-OD2 3.7Å; H601-D637 IonicContact ND1-OD1 2.71Å; H601-D637 IonicContact ND1-OD2 2.72Å; H601-D637 PolarHBondContact ND1-OD2 3.04Å; H601-D637 VanDerWaalsContact ND1-OD2 3.12Å; D637-D639 WeakPolarHBondContact OD1-CB 3.36Å; D637-D639 PolarHBondContact OD1-N 2.92Å; D637-G643 VanDerWaalsContact OD2-CA 3.31Å; D637-G643 WeakPolarHBondContact OD2-CA 3.5Å; D637-G643 PolarHBondContact OD2-N 3.23Å; D637-Y658 HydrophobicContact CB-CE2 3.72Å; D637-Y658 PolarHBondContact OD2-OH 2.93Å; D637-I659 PolarHBondContact N-O 3.24Å; D637-S660 CarbonylContact O-C 3.54Å; D637-S660 VanDerWaalsContact O-CA 3.26Å; D637-S660 WeakPolarHBondContact O-CA 3.43Å; D637-V661 PolarHBondContact O-N 3.06Å; D637-S728 WeakPolarHBondContact OD1-CB 3.4Å
638	W	98.5	Very high	97.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.			trans	-99.1	7.8	177.6	65.3	39.8	0	0	0	112.7	Y705 F709 V727 S728 A729 G730 F731 F749 L752 L756 L803	W638-Y705 HydrophobicContact CB-CE1 4.34Å; W638-F709 HydrophobicContact CE3-CE1 4.38Å; W638-F709 AromaticContact CE3-CZ 3.82Å; W638-F709 HydrophobicContact CE3-CZ 3.82Å; W638-F709 HydrophobicContact CZ3-CZ 4.45Å; W638-V727 HydrophobicContact CD2-CG1 3.75Å; W638-V727 HydrophobicContact CE3-CG1 3.88Å; W638-V727 HydrophobicContact CG-CG1 4.46Å; W638-V727 HydrophobicContact CH2-CG1 3.82Å; W638-V727 HydrophobicContact CZ2-CG1 3.68Å; W638-V727 HydrophobicContact CZ3-CG1 3.92Å; W638-S728 PolarHBondContact N-O 3.19Å; W638-A729 HydrophobicContact CZ2-CB 4.1Å; W638-A729 VanDerWaalsContact NE1-CA 3.33Å; W638-G730 PolarHBondContact NE1-O 2.84Å; W638-F731 HydrophobicContact CZ2-CE1 4.41Å; W638-F749 HydrophobicContact CD2-CD1 4.48Å; W638-F749 HydrophobicContact CZ2-CD1 4.42Å; W638-F749 AromaticContact NE1-CD1 3.93Å; W638-L752 HydrophobicContact CD2-CD1 4.26Å; W638-L752 HydrophobicContact CE3-CB 3.9Å; W638-L752 HydrophobicContact CE3-CD1 3.84Å; W638-L752 HydrophobicContact CH2-CB 4.3Å; W638-L752 HydrophobicContact CZ3-CB 3.55Å; W638-L752 HydrophobicContact CZ3-CD1 4.32Å; W638-L756 HydrophobicContact CE3-CD1 4.48Å; W638-L756 HydrophobicContact CH2-CD1 4.44Å; W638-L756 HydrophobicContact CZ3-CD1 3.73Å; W638-L803 HydrophobicContact CH2-CD2 4.17Å; W638-L803 HydrophobicContact CZ2-CD2 4.11Å
639	D	98.6	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-57.4	140.9	168.7	-166.5	-67.8	0	0	0	109.6	H601 D637 H641 V661 G730 G807	H601-D639 IonicContact CE1-OD1 3.02Å; H601-D639 IonicContact CE1-OD2 3.25Å; H601-D639 IonicContact NE2-OD2 3.88Å; D637-D639 WeakPolarHBondContact OD1-CB 3.36Å; D637-D639 PolarHBondContact OD1-N 2.92Å; D639-H641 PolarHBondContact O-N 3.19Å; D639-H641 WeakPolarHBondContact OD1-CB 3.46Å; D639-H641 IonicContact OD1-CG 3.71Å; D639-H641 PolarHBondContact OD1-N 3.18Å; D639-H641 IonicContact OD1-ND1 3.45Å; D639-H641 PolarHBondContact OD1-ND1 3.39Å; D639-V661 VanDerWaalsContact O-O 3.08Å; D639-G730 VanDerWaalsContact OD2-CA 3.23Å; D639-G730 WeakPolarHBondContact OD2-CA 3.34Å; D639-G807 WeakPolarHBondContact OD2-CA 3.31Å; D639-G807 PolarHBondContact OD2-N 3.16Å
640	V	97.8	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-66.8	-20.4	-177	78.4	0	0	0	0	112.2	H662 R663 D732 A733 L742	V640-H662 WeakPolarHBondContact O-CA 3.27Å; V640-H662 WeakPolarHBondContact O-CB 3.06Å; V640-R663 HydrophobicContact CG2-CB 3.95Å; V640-R663 PolarHBondContact O-N 3.03Å; V640-D732 WeakPolarHBondContact CB-OD1 3.31Å; V640-D732 HydrophobicContact CG1-CB 3.89Å; V640-D732 WeakPolarHBondContact CG1-OD1 3.41Å; V640-D732 PolarHBondContact N-OD1 3.42Å; V640-A733 HydrophobicContact CB-CB 4.11Å; V640-A733 HydrophobicContact CG2-CB 4.29Å; V640-L742 HydrophobicContact CG2-CD1 3.47Å; V640-L742 VanDerWaalsContact CG2-CD1 3.47Å; V640-L742 HydrophobicContact CG2-CG 3.92Å
641	H	98.3	Very high	98.2	Very high	12 Å²	12	15 Å²	15	6%	0.056	7%	0.068	C	C	.	.	S	Bend	trans	-94.2	140.1	174.4	-52.7	92.1	0	0	0	110.1	H601 D639 G643 Y669 F670 D732	H601-H641 PolarHBondContact CE1-O 2.96Å; D639-H641 PolarHBondContact O-N 3.19Å; D639-H641 WeakPolarHBondContact OD1-CB 3.46Å; D639-H641 IonicContact OD1-CG 3.71Å; D639-H641 PolarHBondContact OD1-N 3.18Å; D639-H641 IonicContact OD1-ND1 3.45Å; D639-H641 PolarHBondContact OD1-ND1 3.39Å; H641-G643 PolarHBondContact O-N 3.12Å; H641-Y669 AromaticContact CD2-CE1 3.3Å; H641-Y669 WeakPolarHBondContact CD2-CE1 3.49Å; H641-Y669 AromaticContact CD2-CZ 3.81Å; H641-Y669 AromaticContact NE2-CE1 3.61Å; H641-Y669 AromaticContact NE2-CZ 3.59Å; H641-Y669 PolarHBondContact NE2-OH 3.21Å; H641-F670 HydrophobicContact CB-CD1 4.44Å; H641-F670 AromaticContact CD2-CD1 3.93Å; H641-D732 IonicContact CE1-OD2 3.41Å; H641-D732 PolarHBondContact CE1-OD2 2.95Å; H641-D732 IonicContact ND1-OD2 3.82Å; H641-D732 PolarHBondContact ND1-OD2 3.1Å
642	H	98.2	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.			trans	-63.9	123.7	175.7	177.7	-119.4	0	0	0	110.8	H602 N644 H662 P671 F675 S676 H692	H602-H642 PolarHBondContact CE1-O 3.13Å; H602-H642 PolarHBondContact ND1-O 3.11Å; H642-N644 PolarHBondContact O-N 3.13Å; H642-N644 PolarHBondContact O-OD1 3.25Å; H642-H662 HydrophobicContact CB-CB 4.31Å; H642-H662 AromaticContact CD2-CE1 3.31Å; H642-H662 PolarHBondContact CD2-CE1 2.93Å; H642-H662 AromaticContact CD2-ND1 3.51Å; H642-H662 AromaticContact CD2-NE2 3.97Å; H642-H662 AromaticContact CG-CE1 3.85Å; H642-P671 HydrophobicContact CB-CG 4.35Å; H642-F675 AromaticContact CE1-CD1 3.86Å; H642-S676 VanDerWaalsContact CG-OG 3.29Å; H642-S676 WeakPolarHBondContact ND1-CB 3.31Å; H642-S676 PolarHBondContact ND1-OG 3.29Å; H642-H692 AromaticContact CD2-CD2 3.97Å; H642-H692 AromaticContact CD2-NE2 3.83Å; H642-H692 AromaticContact CE1-CE1 3.8Å; H642-H692 AromaticContact CE1-NE2 3.79Å; H642-H692 AromaticContact NE2-CD2 3.49Å; H642-H692 PolarHBondContact NE2-CD2 3.01Å; H642-H692 AromaticContact NE2-CE1 3.25Å; H642-H692 PolarHBondContact NE2-CE1 3.07Å; H642-H692 VanDerWaalsContact NE2-CE1 3.25Å; H642-H692 AromaticContact NE2-ND1 3.93Å; H642-H692 AromaticContact NE2-NE2 2.89Å; H642-H692 PolarHBondContact NE2-NE2 3.36Å
643	G	98.1	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.056	C	C	.	.			trans	-73.3	62.6	174	0	0	0	0	0	113.2	H601 D637 H641 G645 T646 A647 Y658	H601-G643 WeakPolarHBondContact ND1-CA 3.22Å; H601-G643 CarbonylContact O-C 3.46Å; D637-G643 VanDerWaalsContact OD2-CA 3.31Å; D637-G643 WeakPolarHBondContact OD2-CA 3.5Å; D637-G643 PolarHBondContact OD2-N 3.23Å; H641-G643 PolarHBondContact O-N 3.12Å; G643-G645 PolarHBondContact O-N 3.43Å; G643-G645 VanDerWaalsContact O-N 3.13Å; G643-T646 WeakPolarHBondContact O-CB 3.36Å; G643-T646 PolarHBondContact O-N 3.45Å; G643-A647 PolarHBondContact O-N 2.86Å; G643-Y658 VanDerWaalsContact CA-OH 3.27Å; G643-Y658 WeakPolarHBondContact CA-OH 3.38Å; G643-Y658 PolarHBondContact N-OH 2.97Å; G643-Y658 PolarHBondContact O-OH 3.46Å
644	N	98.3	Very high	98.4	Very high	14 Å²	14	12.7 Å²	12.7	8%	0.075	7%	0.066	C	C	.	.	H	α-helix	trans	-52.7	-34.7	-176.6	61.7	-63.3	0	0	0	113.8	H602 L604 H642 A647 E648 P671 F675	H602-N644 PolarHBondContact ND1-OD1 2.88Å; L604-N644 VanDerWaalsContact CD2-ND2 3.33Å; L604-N644 WeakPolarHBondContact CD2-ND2 3.24Å; H642-N644 PolarHBondContact O-N 3.13Å; H642-N644 PolarHBondContact O-OD1 3.25Å; N644-A647 PolarHBondContact O-N 3.48Å; N644-E648 WeakPolarHBondContact O-CB 3.47Å; N644-E648 PolarHBondContact O-N 3.47Å; N644-P671 HydrophobicContact CB-CG 3.97Å; N644-F675 HydrophobicContact CB-CD1 4.31Å; N644-F675 HydrophobicContact CB-CE1 4.46Å
645	G	98.5	Very high	98.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.9	-45.5	175.7	0	0	0	0	0	112.1	H601 A603 G643 E648 I649	H601-G645 WeakPolarHBondContact O-CA 3.45Å; H601-G645 PolarHBondContact O-N 3.24Å; H601-G645 VanDerWaalsContact O-N 3.09Å; A603-G645 WeakPolarHBondContact O-CA 3.42Å; G643-G645 PolarHBondContact O-N 3.43Å; G643-G645 VanDerWaalsContact O-N 3.13Å; G645-E648 PolarHBondContact O-N 3.48Å; G645-I649 WeakPolarHBondContact O-CB 3.46Å; G645-I649 VanDerWaalsContact O-CD1 3.3Å; G645-I649 WeakPolarHBondContact O-CD1 3.42Å; G645-I649 WeakPolarHBondContact O-CG1 3.42Å; G645-I649 PolarHBondContact O-N 2.89Å; G645-I649 VanDerWaalsContact O-N 3.09Å
646	T	98.7	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.8	-42.9	176.8	-54.5	0	0	0	0	111.2	H601 N615 I635 G643 I649 F650 Y658	H601-T646 PolarHBondContact O-N 2.85Å; H601-T646 VanDerWaalsContact O-N 3.13Å; H601-T646 PolarHBondContact O-OG1 2.82Å; N615-T646 WeakPolarHBondContact ND2-CA 3.43Å; N615-T646 PolarHBondContact ND2-N 2.97Å; N615-T646 VanDerWaalsContact ND2-N 3.11Å; N615-T646 PolarHBondContact ND2-OG1 2.96Å; N615-T646 PolarHBondContact OD1-OG1 2.94Å; I635-T646 HydrophobicContact CD1-CG2 3.91Å; I635-T646 HydrophobicContact CG2-CG2 4.07Å; G643-T646 WeakPolarHBondContact O-CB 3.36Å; G643-T646 PolarHBondContact O-N 3.45Å; T646-I649 PolarHBondContact O-N 2.74Å; T646-F650 HydrophobicContact CG2-CD2 4.07Å; T646-F650 HydrophobicContact CG2-CE2 4.24Å; T646-F650 WeakPolarHBondContact O-CD2 3.46Å; T646-F650 PolarHBondContact O-N 3.5Å; T646-Y658 HydrophobicContact CG2-CD2 3.53Å; T646-Y658 HydrophobicContact CG2-CE2 3.53Å; T646-Y658 HydrophobicContact CG2-CG 4.45Å
647	A	98.4	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.9	-50.2	176.5	0	0	0	0	0	112	G643 N644 I649 F650 E651 Y658 F675	G643-A647 PolarHBondContact O-N 2.86Å; N644-A647 PolarHBondContact O-N 3.48Å; A647-I649 VanDerWaalsContact C-N 3.26Å; A647-I649 PolarHBondContact O-N 3.23Å; A647-F650 PolarHBondContact O-N 3.18Å; A647-E651 WeakPolarHBondContact O-CA 3.45Å; A647-E651 WeakPolarHBondContact O-CB 3.38Å; A647-E651 PolarHBondContact O-N 2.7Å; A647-Y658 HydrophobicContact CB-CD1 4Å; A647-Y658 HydrophobicContact CB-CE1 3.7Å; A647-F675 HydrophobicContact CB-CE1 3.61Å; A647-F675 HydrophobicContact CB-CZ 3.81Å
648	E	98.3	Very high	98.4	Very high	52 Å²	52	16 Å²	16	24%	0.243	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-32.4	179.4	-169.1	-157.8	121.5	0	0	112.7	L604 K605 N644 G645 F650 F675	L604-E648 VanDerWaalsContact CD2-OE2 3.25Å; L604-E648 WeakPolarHBondContact CD2-OE2 3.45Å; K605-E648 VanDerWaalsContact CE-O 3.28Å; K605-E648 WeakPolarHBondContact CE-O 3.39Å; K605-E648 PolarHBondContact NZ-O 3.18Å; N644-E648 WeakPolarHBondContact O-CB 3.47Å; N644-E648 PolarHBondContact O-N 3.47Å; G645-E648 PolarHBondContact O-N 3.48Å; E648-F650 VanDerWaalsContact C-N 3.3Å; E648-F650 PolarHBondContact O-N 3.07Å; E648-F675 HydrophobicContact CB-CE1 4.43Å; E648-F675 HydrophobicContact CB-CZ 4.34Å
649	I	98.6	Very high	98.4	Very high	7 Å²	7	16 Å²	16	4%	0.036	8%	0.083	C	C	.	.	H	α-helix	trans	-67	-31.9	178.8	-70.8	163.5	0	0	0	112.4	V530 K605 N615 A618 G645 T646 A647	V530-I649 HydrophobicContact CB-CD1 4.16Å; V530-I649 HydrophobicContact CB-CG2 4.06Å; V530-I649 HydrophobicContact CG1-CG2 3.96Å; V530-I649 HydrophobicContact CG2-CD1 4.32Å; K605-I649 HydrophobicContact CG-CG1 3.81Å; N615-I649 HydrophobicContact CB-CD1 3.84Å; A618-I649 HydrophobicContact CB-CB 4.47Å; A618-I649 HydrophobicContact CB-CD1 3.74Å; A618-I649 HydrophobicContact CB-CG2 4.06Å; G645-I649 WeakPolarHBondContact O-CB 3.46Å; G645-I649 VanDerWaalsContact O-CD1 3.3Å; G645-I649 WeakPolarHBondContact O-CD1 3.42Å; G645-I649 WeakPolarHBondContact O-CG1 3.42Å; G645-I649 PolarHBondContact O-N 2.89Å; G645-I649 VanDerWaalsContact O-N 3.09Å; T646-I649 PolarHBondContact O-N 2.74Å; A647-I649 VanDerWaalsContact C-N 3.26Å; A647-I649 PolarHBondContact O-N 3.23Å
650	F	98.6	Very high	98.4	Very high	2 Å²	2	16 Å²	16	1%	0.009	8%	0.083	C	C	.	.	H	α-helix	trans	-123.3	4.3	-170	-61.6	-62.6	0	0	0	115.1	A618 A621 R622 I635 T646 A647 E648 D652 D653 I656	A618-F650 HydrophobicContact CB-CE2 3.44Å; A618-F650 VanDerWaalsContact CB-CE2 3.44Å; A618-F650 HydrophobicContact CB-CZ 3.74Å; A621-F650 HydrophobicContact CB-CE2 4.43Å; A621-F650 HydrophobicContact CB-CZ 3.87Å; R622-F650 HydrophobicContact CG-CE1 4.21Å; R622-F650 HydrophobicContact CG-CZ 4.37Å; I635-F650 HydrophobicContact CD1-CD2 3.83Å; I635-F650 HydrophobicContact CD1-CE2 3.51Å; I635-F650 HydrophobicContact CD1-CZ 4.33Å; T646-F650 HydrophobicContact CG2-CD2 4.07Å; T646-F650 HydrophobicContact CG2-CE2 4.24Å; T646-F650 WeakPolarHBondContact O-CD2 3.46Å; T646-F650 PolarHBondContact O-N 3.5Å; A647-F650 PolarHBondContact O-N 3.18Å; E648-F650 VanDerWaalsContact C-N 3.3Å; E648-F650 PolarHBondContact O-N 3.07Å; F650-D652 PolarHBondContact O-N 2.81Å; F650-D653 HydrophobicContact CB-CB 4.46Å; F650-D653 HydrophobicContact CD1-CB 4.42Å; F650-D653 PolarHBondContact O-N 2.7Å; F650-I656 HydrophobicContact CB-CB 4.08Å; F650-I656 HydrophobicContact CB-CG2 3.87Å; F650-I656 HydrophobicContact CD1-CB 4.01Å; F650-I656 HydrophobicContact CD1-CG1 3.57Å; F650-I656 HydrophobicContact CD1-CG2 4.05Å; F650-I656 HydrophobicContact CD2-CG2 3.91Å; F650-I656 HydrophobicContact CE1-CD1 4.37Å; F650-I656 HydrophobicContact CE1-CG1 3.83Å; F650-I656 HydrophobicContact CE2-CG2 4.44Å; F650-I656 HydrophobicContact CG-CB 4.06Å; F650-I656 HydrophobicContact CG-CG1 4.13Å; F650-I656 HydrophobicContact CG-CG2 3.69Å
651	E	98.1	Very high	98.5	Very high	46 Å²	46	16 Å²	16	22%	0.215	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.9	-175.4	60.1	176	-150.1	0	0	114.1	A647 F675 F680 G682 T683	A647-E651 WeakPolarHBondContact O-CA 3.45Å; A647-E651 WeakPolarHBondContact O-CB 3.38Å; A647-E651 PolarHBondContact O-N 2.7Å; E651-F675 VanDerWaalsContact OE2-CE2 3.28Å; E651-F675 WeakPolarHBondContact OE2-CE2 3.32Å; E651-F680 HydrophobicContact CB-CE1 4.05Å; E651-F680 HydrophobicContact CB-CZ 3.9Å; E651-F680 WeakPolarHBondContact OE2-CZ 3.34Å; E651-G682 CarbonylContact O-C 3.59Å; E651-G682 WeakPolarHBondContact O-CA 3.47Å; E651-T683 PolarHBondContact O-N 3.1Å
652	D	98.3	Very high	98.5	Very high	84 Å²	84	15.5 Å²	15.5	45%	0.449	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	1.8	-179.8	66.2	-16.7	0	0	0	114.4	F650 P654 T683 G686	F650-D652 PolarHBondContact O-N 2.81Å; D652-P654 WeakPolarHBondContact O-CD 3.36Å; D652-T683 WeakPolarHBondContact CA-O 3.18Å; D652-G686 PolarHBondContact O-N 3.03Å
653	D	98.4	Very high	98.4	Very high	18 Å²	18	16 Å²	16	10%	0.096	8%	0.083	C	C	.	.			trans	-96.2	113.3	-171.3	-162.8	-42.7	0	0	0	112.7	R622 F650 N655 I656	R622-D653 IonicContact CZ-OD2 3.94Å; R622-D653 IonicContact NH1-OD2 3.9Å; R622-D653 PolarHBondContact NH1-OD2 3.35Å; R622-D653 IonicContact NH2-OD2 3.15Å; R622-D653 PolarHBondContact NH2-OD2 3.41Å; F650-D653 HydrophobicContact CB-CB 4.46Å; F650-D653 HydrophobicContact CD1-CB 4.42Å; F650-D653 PolarHBondContact O-N 2.7Å; D653-N655 PolarHBondContact O-N 3.02Å; D653-N655 WeakPolarHBondContact OD1-CA 3.34Å; D653-N655 WeakPolarHBondContact OD1-CB 3.43Å; D653-N655 PolarHBondContact OD1-N 2.87Å; D653-I656 HydrophobicContact CB-CB 4.35Å; D653-I656 HydrophobicContact CB-CG1 4.27Å; D653-I656 PolarHBondContact O-N 2.83Å
654	P	98	Very high	98.4	Very high	31 Å²	31	16.8 Å²	16.8	20%	0.201	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-6.1	179	30.4	-36	0	0	0	113.7	D652 E685 R689	D652-P654 WeakPolarHBondContact O-CD 3.36Å; P654-E685 HydrophobicContact CB-CB 4.11Å; P654-E685 WeakPolarHBondContact CB-O 3.26Å; P654-E685 HydrophobicContact CG-CB 3.87Å; P654-R689 VanDerWaalsContact O-CZ 3.27Å; P654-R689 PolarHBondContact O-NH1 3.27Å; P654-R689 PolarHBondContact O-NH2 3.43Å
655	N	98.1	Very high	98.3	Very high	68 Å²	68	17 Å²	17	36%	0.364	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-7	-177	-64.9	-55.2	0	0	0	112.6	E631 R632 I633 D653	E631-N655 WeakPolarHBondContact O-CB 3.46Å; R632-N655 WeakPolarHBondContact CA-O 3.29Å; I633-N655 PolarHBondContact N-O 3.49Å; I633-N655 VanDerWaalsContact N-O 3.08Å; D653-N655 PolarHBondContact O-N 3.02Å; D653-N655 WeakPolarHBondContact OD1-CA 3.34Å; D653-N655 WeakPolarHBondContact OD1-CB 3.43Å; D653-N655 PolarHBondContact OD1-N 2.87Å
656	I	98.8	Very high	98.1	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.6	175.3	-56.1	-62.1	0	0	0	109.1	A621 I633 I635 F650 D653 R689	A621-I656 HydrophobicContact CB-CD1 4.3Å; I633-I656 HydrophobicContact CB-CD1 3.75Å; I633-I656 HydrophobicContact CD1-CD1 4.41Å; I633-I656 HydrophobicContact CG1-CD1 4.36Å; I633-I656 HydrophobicContact CG2-CD1 4.5Å; I633-I656 WeakPolarHBondContact O-CA 3.08Å; I635-I656 HydrophobicContact CD1-CG2 3.85Å; I635-I656 HydrophobicContact CG1-CG2 4.34Å; F650-I656 HydrophobicContact CB-CB 4.08Å; F650-I656 HydrophobicContact CB-CG2 3.87Å; F650-I656 HydrophobicContact CD1-CB 4.01Å; F650-I656 HydrophobicContact CD1-CG1 3.57Å; F650-I656 HydrophobicContact CD1-CG2 4.05Å; F650-I656 HydrophobicContact CD2-CG2 3.91Å; F650-I656 HydrophobicContact CE1-CD1 4.37Å; F650-I656 HydrophobicContact CE1-CG1 3.83Å; F650-I656 HydrophobicContact CE2-CG2 4.44Å; F650-I656 HydrophobicContact CG-CB 4.06Å; F650-I656 HydrophobicContact CG-CG1 4.13Å; F650-I656 HydrophobicContact CG-CG2 3.69Å; D653-I656 HydrophobicContact CB-CB 4.35Å; D653-I656 HydrophobicContact CB-CG1 4.27Å; D653-I656 PolarHBondContact O-N 2.83Å; I656-R689 WeakPolarHBondContact O-CB 3.35Å
657	L	98.9	Very high	97.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	109.4	169.4	174.4	64.9	0	0	0	108.4	I633 A634 I635 I659 R689 I691 I716 L717 F720 W858	I633-L657 PolarHBondContact O-N 3.34Å; A634-L657 CarbonylContact C-O 3.55Å; A634-L657 WeakPolarHBondContact CA-O 3.31Å; A634-L657 HydrophobicContact CB-CB 4.41Å; A634-L657 HydrophobicContact CB-CD2 4.44Å; I635-L657 PolarHBondContact N-O 3.27Å; L657-I659 HydrophobicContact CD1-CD1 4.37Å; L657-I659 HydrophobicContact CD1-CG1 4.13Å; L657-I659 HydrophobicContact CD2-CD1 4.04Å; L657-I659 HydrophobicContact CD2-CG1 4.41Å; L657-I659 HydrophobicContact CG-CD1 4.15Å; L657-I659 HydrophobicContact CG-CG1 3.97Å; L657-R689 CarbonylContact C-O 3.55Å; L657-R689 WeakPolarHBondContact CA-O 3.44Å; L657-I691 HydrophobicContact CD1-CD1 3.81Å; L657-I691 HydrophobicContact CD1-CG1 4.3Å; L657-I716 HydrophobicContact CD1-CG2 4.27Å; L657-I716 HydrophobicContact CD2-CG2 3.74Å; L657-L717 HydrophobicContact CD2-CD2 3.85Å; L657-F720 HydrophobicContact CB-CD1 3.75Å; L657-F720 HydrophobicContact CB-CD2 4.19Å; L657-F720 HydrophobicContact CB-CE1 3.52Å; L657-F720 HydrophobicContact CB-CE2 4.01Å; L657-F720 HydrophobicContact CB-CG 4.07Å; L657-F720 HydrophobicContact CB-CZ 3.66Å; L657-F720 HydrophobicContact CD2-CB 3.71Å; L657-F720 HydrophobicContact CD2-CD1 3.5Å; L657-F720 VanDerWaalsContact CD2-CD1 3.5Å; L657-F720 HydrophobicContact CD2-CD2 4.3Å; L657-F720 HydrophobicContact CD2-CE1 4.17Å; L657-F720 HydrophobicContact CD2-CG 3.56Å; L657-F720 HydrophobicContact CG-CD1 4.29Å; L657-F720 HydrophobicContact CG-CG 4.42Å; L657-W858 HydrophobicContact CD1-CH2 4.03Å; L657-W858 HydrophobicContact CD1-CZ2 3.65Å; L657-W858 HydrophobicContact CD2-CH2 4.46Å
658	Y	98.9	Very high	97.8	Very high	1 Å²	1	31.8 Å²	31.8	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	122	173.8	177.2	-106.7	0	0	0	109.9	I635 D637 G643 T646 A647 S660 R689 T690 I691 H692	I635-Y658 HydrophobicContact CB-CD2 4.01Å; I635-Y658 HydrophobicContact CG2-CD2 3.81Å; I635-Y658 HydrophobicContact CG2-CE2 4.15Å; D637-Y658 HydrophobicContact CB-CE2 3.72Å; D637-Y658 PolarHBondContact OD2-OH 2.93Å; G643-Y658 VanDerWaalsContact CA-OH 3.27Å; G643-Y658 WeakPolarHBondContact CA-OH 3.38Å; G643-Y658 PolarHBondContact N-OH 2.97Å; G643-Y658 PolarHBondContact O-OH 3.46Å; T646-Y658 HydrophobicContact CG2-CD2 3.53Å; T646-Y658 HydrophobicContact CG2-CE2 3.53Å; T646-Y658 HydrophobicContact CG2-CG 4.45Å; A647-Y658 HydrophobicContact CB-CD1 4Å; A647-Y658 HydrophobicContact CB-CE1 3.7Å; Y658-S660 WeakPolarHBondContact OH-CB 3.4Å; Y658-R689 PolarHBondContact N-O 2.98Å; Y658-T690 HydrophobicContact CD1-CG2 4.07Å; Y658-T690 CarbonylContact O-C 3.37Å; Y658-T690 WeakPolarHBondContact O-CA 3.44Å; Y658-I691 PolarHBondContact O-N 3.24Å; Y658-H692 AromaticContact CE1-NE2 3.88Å
659	I	98.9	Very high	97.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.2	175.8	-51.6	-171.9	0	0	0	108.3	I635 I636 D637 L657 I691 I693 I713 I716	I635-I659 PolarHBondContact O-N 2.93Å; I636-I659 HydrophobicContact CD1-CB 3.97Å; I636-I659 HydrophobicContact CD1-CD1 4.02Å; I636-I659 HydrophobicContact CD1-CG1 4.1Å; D637-I659 PolarHBondContact N-O 3.24Å; L657-I659 HydrophobicContact CD1-CD1 4.37Å; L657-I659 HydrophobicContact CD1-CG1 4.13Å; L657-I659 HydrophobicContact CD2-CD1 4.04Å; L657-I659 HydrophobicContact CD2-CG1 4.41Å; L657-I659 HydrophobicContact CG-CD1 4.15Å; L657-I659 HydrophobicContact CG-CG1 3.97Å; I659-I691 CarbonylContact C-O 3.51Å; I659-I691 WeakPolarHBondContact CA-O 3.31Å; I659-I691 HydrophobicContact CB-CB 4.42Å; I659-I691 HydrophobicContact CD1-CD1 4.06Å; I659-I691 HydrophobicContact CG1-CB 4.1Å; I659-I691 HydrophobicContact CG1-CD1 4.07Å; I659-I691 HydrophobicContact CG1-CG1 4.36Å; I659-I691 HydrophobicContact CG2-CB 4.22Å; I659-I691 HydrophobicContact CG2-CG2 4.28Å; I659-I693 HydrophobicContact CG2-CD1 3.62Å; I659-I713 HydrophobicContact CD1-CG2 4.15Å; I659-I713 HydrophobicContact CG2-CD1 4.03Å; I659-I713 HydrophobicContact CG2-CG1 4.02Å; I659-I716 HydrophobicContact CD1-CG2 4.15Å
660	S	98.7	Very high	97.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.5	177.1	-178.8	0	0	0	0	112	D637 Y658 H662 I691 I693	D637-S660 CarbonylContact O-C 3.54Å; D637-S660 VanDerWaalsContact O-CA 3.26Å; D637-S660 WeakPolarHBondContact O-CA 3.43Å; Y658-S660 WeakPolarHBondContact OH-CB 3.4Å; S660-H662 PolarHBondContact OG-ND1 2.58Å; S660-I691 PolarHBondContact N-O 2.9Å; S660-I693 PolarHBondContact O-N 3.29Å
661	V	98.5	Very high	97.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	100.4	173.8	-177.6	0	0	0	0	108.3	D637 D639 I693 W695 Y705 T708 I713	D637-V661 PolarHBondContact O-N 3.06Å; D639-V661 VanDerWaalsContact O-O 3.08Å; V661-I693 HydrophobicContact CB-CB 4.5Å; V661-I693 HydrophobicContact CG1-CB 4.46Å; V661-I693 HydrophobicContact CG1-CG2 4.46Å; V661-I693 HydrophobicContact CG2-CB 4.14Å; V661-I693 HydrophobicContact CG2-CD1 3.97Å; V661-I693 HydrophobicContact CG2-CG1 4.38Å; V661-W695 HydrophobicContact CG1-CZ2 3.69Å; V661-Y705 HydrophobicContact CB-CE1 4.3Å; V661-Y705 HydrophobicContact CG1-CD1 4.22Å; V661-Y705 HydrophobicContact CG1-CE1 3.74Å; V661-Y705 HydrophobicContact CG1-CE2 4.49Å; V661-T708 HydrophobicContact CG2-CG2 3.95Å; V661-I713 HydrophobicContact CG2-CD1 3.54Å
662	H	98.3	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	162.9	-168.4	60.1	-95.7	0	0	0	111.9	V640 H642 S660 S676 I693 W695	V640-H662 WeakPolarHBondContact O-CA 3.27Å; V640-H662 WeakPolarHBondContact O-CB 3.06Å; H642-H662 HydrophobicContact CB-CB 4.31Å; H642-H662 AromaticContact CD2-CE1 3.31Å; H642-H662 PolarHBondContact CD2-CE1 2.93Å; H642-H662 AromaticContact CD2-ND1 3.51Å; H642-H662 AromaticContact CD2-NE2 3.97Å; H642-H662 AromaticContact CG-CE1 3.85Å; S660-H662 PolarHBondContact OG-ND1 2.58Å; H662-S676 PolarHBondContact CE1-O 2.81Å; H662-S676 PolarHBondContact NE2-O 3.43Å; H662-I693 PolarHBondContact N-O 3.43Å; H662-W695 VanDerWaalsContact O-CD1 3.3Å; H662-W695 PolarHBondContact O-N 3.01Å
663	R	97.2	Very high	96.9	Very high	12 Å²	12	33.4 Å²	33.4	5%	0.045	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.5	170.8	-172.5	175.7	176.9	-152	-9.4	110.2	V640 D665 Y669 R698 G740	V640-R663 HydrophobicContact CG2-CB 3.95Å; V640-R663 PolarHBondContact O-N 3.03Å; R663-D665 IonicContact CZ-OD1 2.67Å; R663-D665 IonicContact CZ-OD2 3.45Å; R663-D665 VanDerWaalsContact NE-CG 3.29Å; R663-D665 IonicContact NE-OD1 3.63Å; R663-D665 PolarHBondContact NE-OD1 2.81Å; R663-D665 IonicContact NE-OD2 3.95Å; R663-D665 PolarHBondContact NE-OD2 2.8Å; R663-D665 IonicContact NH2-OD1 3.37Å; R663-D665 PolarHBondContact NH2-OD1 3.12Å; R663-D665 IonicContact NH2-OD2 3.12Å; R663-D665 PolarHBondContact NH2-OD2 3.12Å; R663-Y669 HydrophobicContact CB-CD1 3.69Å; R663-Y669 HydrophobicContact CB-CD2 4.5Å; R663-Y669 HydrophobicContact CB-CE1 3.85Å; R663-Y669 HydrophobicContact CB-CG 4.03Å; R663-Y669 HydrophobicContact CG-CD1 3.99Å; R663-Y669 HydrophobicContact CG-CD2 3.98Å; R663-Y669 HydrophobicContact CG-CE1 4.35Å; R663-Y669 HydrophobicContact CG-CE2 4.38Å; R663-Y669 HydrophobicContact CG-CG 3.78Å; R663-Y669 VanDerWaalsContact NH1-CE2 3.28Å; R663-Y669 WeakPolarHBondContact O-CD1 3.45Å; R663-R698 VanDerWaalsContact NH2-CG 3.33Å; R663-G740 PolarHBondContact NH1-O 2.79Å
664	F	97.4	Very high	96.7	Very high	16 Å²	16	38.5 Å²	38.5	7%	0.07	19%	0.193	C	C	.	.			trans	-119.5	-38.7	-175.4	178.6	-121.4	0	0	0	112.4	H666 G667 R668 Y669 S673 A694 W695 N696	F664-H666 PolarHBondContact O-N 2.98Å; F664-H666 VanDerWaalsContact O-N 3.12Å; F664-G667 VanDerWaalsContact CE2-CA 3.43Å; F664-G667 VanDerWaalsContact CE2-N 3.29Å; F664-G667 PolarHBondContact O-N 3.31Å; F664-R668 PolarHBondContact O-N 2.87Å; F664-Y669 WeakPolarHBondContact O-CB 3.47Å; F664-Y669 PolarHBondContact O-N 3.42Å; F664-Y669 VanDerWaalsContact O-N 3.16Å; F664-S673 WeakPolarHBondContact CE2-O 3.33Å; F664-A694 HydrophobicContact CB-CB 3.65Å; F664-A694 HydrophobicContact CD1-CB 4.04Å; F664-A694 HydrophobicContact CG-CB 3.91Å; F664-W695 PolarHBondContact N-O 3.25Å; F664-N696 WeakPolarHBondContact CD1-OD1 3.26Å
665	D	95.9	Very high	96.6	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.091	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	36	-178.6	-65.4	-27	0	0	0	114.8	R663 R668 W695 N696	R663-D665 IonicContact CZ-OD1 2.67Å; R663-D665 IonicContact CZ-OD2 3.45Å; R663-D665 VanDerWaalsContact NE-CG 3.29Å; R663-D665 IonicContact NE-OD1 3.63Å; R663-D665 PolarHBondContact NE-OD1 2.81Å; R663-D665 IonicContact NE-OD2 3.95Å; R663-D665 PolarHBondContact NE-OD2 2.8Å; R663-D665 IonicContact NH2-OD1 3.37Å; R663-D665 PolarHBondContact NH2-OD1 3.12Å; R663-D665 IonicContact NH2-OD2 3.12Å; R663-D665 PolarHBondContact NH2-OD2 3.12Å; D665-R668 HydrophobicContact CB-CB 4.39Å; D665-R668 PolarHBondContact O-NE 2.92Å; D665-R668 PolarHBondContact O-NH2 3.11Å; D665-W695 PolarHBondContact N-O 2.79Å; D665-W695 VanDerWaalsContact N-O 3.12Å; D665-N696 WeakPolarHBondContact CA-OD1 3.34Å; D665-N696 PolarHBondContact N-OD1 2.95Å
666	H	95.1	Very high	96.5	Very high	126 Å²	126	36.1 Å²	36.1	58%	0.583	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	51.4	-173.2	-42.5	91.4	0	0	0	112.5	F664 R668 N696	F664-H666 PolarHBondContact O-N 2.98Å; F664-H666 VanDerWaalsContact O-N 3.12Å; H666-R668 PolarHBondContact O-N 3.39Å; H666-N696 PolarHBondContact N-OD1 2.83Å
667	G	95.2	Very high	96.4	Very high	13 Å²	13	36.9 Å²	36.9	13%	0.134	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	3.9	178.7	0	0	0	0	0	115	F664 N672	F664-G667 VanDerWaalsContact CE2-CA 3.43Å; F664-G667 VanDerWaalsContact CE2-N 3.29Å; F664-G667 PolarHBondContact O-N 3.31Å; G667-N672 CarbonylContact O-C 3.59Å; G667-N672 VanDerWaalsContact O-CA 3.26Å; G667-N672 WeakPolarHBondContact O-CA 3.28Å
668	R	95	Very high	96.3	Very high	173 Å²	173	37 Å²	37	65%	0.653	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.3	-178.3	-63.6	178.8	-60.2	139.7	9	113.8	F664 D665 H666 N672	F664-R668 PolarHBondContact O-N 2.87Å; D665-R668 HydrophobicContact CB-CB 4.39Å; D665-R668 PolarHBondContact O-NE 2.92Å; D665-R668 PolarHBondContact O-NH2 3.11Å; H666-R668 PolarHBondContact O-N 3.39Å; R668-N672 PolarHBondContact O-ND2 3.44Å
669	Y	95.5	Very high	96.2	Very high	25 Å²	25	43.9 Å²	43.9	10%	0.098	22%	0.215	C	C	.	.	S	Bend	trans	-91.8	146	174.6	-162.7	-99.8	0	0	0	110.5	H641 R663 F664 N672 L739 G740	H641-Y669 AromaticContact CD2-CE1 3.3Å; H641-Y669 WeakPolarHBondContact CD2-CE1 3.49Å; H641-Y669 AromaticContact CD2-CZ 3.81Å; H641-Y669 AromaticContact NE2-CE1 3.61Å; H641-Y669 AromaticContact NE2-CZ 3.59Å; H641-Y669 PolarHBondContact NE2-OH 3.21Å; R663-Y669 HydrophobicContact CB-CD1 3.69Å; R663-Y669 HydrophobicContact CB-CD2 4.5Å; R663-Y669 HydrophobicContact CB-CE1 3.85Å; R663-Y669 HydrophobicContact CB-CG 4.03Å; R663-Y669 HydrophobicContact CG-CD1 3.99Å; R663-Y669 HydrophobicContact CG-CD2 3.98Å; R663-Y669 HydrophobicContact CG-CE1 4.35Å; R663-Y669 HydrophobicContact CG-CE2 4.38Å; R663-Y669 HydrophobicContact CG-CG 3.78Å; R663-Y669 VanDerWaalsContact NH1-CE2 3.28Å; R663-Y669 WeakPolarHBondContact O-CD1 3.45Å; F664-Y669 WeakPolarHBondContact O-CB 3.47Å; F664-Y669 PolarHBondContact O-N 3.42Å; F664-Y669 VanDerWaalsContact O-N 3.16Å; Y669-N672 WeakPolarHBondContact O-CA 3.36Å; Y669-N672 PolarHBondContact O-N 2.89Å; Y669-L739 VanDerWaalsContact OH-C 3.31Å; Y669-L739 PolarHBondContact OH-O 3.33Å; Y669-G740 VanDerWaalsContact OH-CA 3.31Å; Y669-G740 WeakPolarHBondContact OH-CA 3.23Å
670	F	94.8	Very high	96.1	Very high	40 Å²	40	45.9 Å²	45.9	18%	0.175	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	131.2	-177.7	-177.9	-90.6	0	0	0	110.4	H602 M609 H641 N672	H602-F670 AromaticContact CD2-CE1 3.94Å; H602-F670 AromaticContact CE1-CE1 3.58Å; H602-F670 AromaticContact ND1-CE1 3.97Å; H602-F670 AromaticContact NE2-CE1 3.49Å; H602-F670 WeakPolarHBondContact NE2-CE1 3.32Å; M609-F670 HydrophobicContact CE-CE2 4.19Å; M609-F670 HydrophobicContact CE-CZ 3.77Å; H641-F670 HydrophobicContact CB-CD1 4.44Å; H641-F670 AromaticContact CD2-CD1 3.93Å; F670-N672 WeakPolarHBondContact CA-OD1 3.41Å
671	P	96	Very high	96.1	Very high	18 Å²	18	46.3 Å²	46.3	12%	0.117	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.7	18	18.5	36.5	-36.9	0	0	0	116.3	M609 H642 N644	M609-P671 HydrophobicContact CE-CB 3.98Å; H642-P671 HydrophobicContact CB-CG 4.35Å; N644-P671 HydrophobicContact CB-CG 3.97Å
672	N	94.3	Very high	96.1	Very high	94 Å²	94	46.6 Å²	46.6	50%	0.503	23%	0.23	S	C	.	.			trans	63.3	45.9	172	-60.4	97.4	0	0	0	114.6	G667 R668 Y669 F670	G667-N672 CarbonylContact O-C 3.59Å; G667-N672 VanDerWaalsContact O-CA 3.26Å; G667-N672 WeakPolarHBondContact O-CA 3.28Å; R668-N672 PolarHBondContact O-ND2 3.44Å; Y669-N672 WeakPolarHBondContact O-CA 3.36Å; Y669-N672 PolarHBondContact O-N 2.89Å; F670-N672 WeakPolarHBondContact CA-OD1 3.41Å
673	S	93.3	Very high	96.1	Very high	48 Å²	48	49.1 Å²	49.1	34%	0.336	25%	0.246	S	C	.	.			trans	-137.3	140.8	-175.6	-176.7	0	0	0	0	112.1	F664 F675 S676	F664-S673 WeakPolarHBondContact CE2-O 3.33Å; S673-F675 PolarHBondContact O-N 3.12Å; S673-F675 VanDerWaalsContact OG-CB 3.23Å; S673-F675 WeakPolarHBondContact OG-CB 3.27Å; S673-F675 PolarHBondContact OG-N 2.59Å; S673-F675 VanDerWaalsContact OG-N 3.15Å; S673-S676 WeakPolarHBondContact O-CB 3.25Å; S673-S676 PolarHBondContact O-N 2.95Å; S673-S676 VanDerWaalsContact O-N 3.14Å; S673-S676 PolarHBondContact O-OG 3.14Å
674	D	93.6	Very high	96.1	Very high	125 Å²	125	51.9 Å²	51.9	67%	0.668	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-65.8	-16	170.3	-69.1	-31.4	0	0	0	112.5	S676 S677	D674-S676 PolarHBondContact O-N 3.03Å; D674-S677 WeakPolarHBondContact O-CB 3.32Å; D674-S677 PolarHBondContact O-N 3.21Å
675	F	95.8	Very high	96.1	Very high	46 Å²	46	58.5 Å²	58.5	20%	0.202	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-57.5	-27.6	170.2	-177	-118.6	0	0	0	112.7	H642 N644 A647 E648 E651 S673 S677 F680 H692	H642-F675 AromaticContact CE1-CD1 3.86Å; N644-F675 HydrophobicContact CB-CD1 4.31Å; N644-F675 HydrophobicContact CB-CE1 4.46Å; A647-F675 HydrophobicContact CB-CE1 3.61Å; A647-F675 HydrophobicContact CB-CZ 3.81Å; E648-F675 HydrophobicContact CB-CE1 4.43Å; E648-F675 HydrophobicContact CB-CZ 4.34Å; E651-F675 VanDerWaalsContact OE2-CE2 3.28Å; E651-F675 WeakPolarHBondContact OE2-CE2 3.32Å; S673-F675 PolarHBondContact O-N 3.12Å; S673-F675 VanDerWaalsContact OG-CB 3.23Å; S673-F675 WeakPolarHBondContact OG-CB 3.27Å; S673-F675 PolarHBondContact OG-N 2.59Å; S673-F675 VanDerWaalsContact OG-N 3.15Å; F675-S677 VanDerWaalsContact C-N 3.26Å; F675-S677 PolarHBondContact O-N 3.41Å; F675-F680 HydrophobicContact CD2-CD1 4.12Å; F675-F680 HydrophobicContact CD2-CD2 4.11Å; F675-F680 HydrophobicContact CD2-CE1 4.08Å; F675-F680 HydrophobicContact CD2-CE2 4.08Å; F675-F680 HydrophobicContact CD2-CG 4.13Å; F675-F680 HydrophobicContact CD2-CZ 4.07Å; F675-F680 AromaticContact CE2-CD1 3.82Å; F675-F680 HydrophobicContact CE2-CD1 3.82Å; F675-F680 HydrophobicContact CE2-CD2 4.21Å; F675-F680 AromaticContact CE2-CE1 3.35Å; F675-F680 HydrophobicContact CE2-CE1 3.35Å; F675-F680 AromaticContact CE2-CE2 3.79Å; F675-F680 HydrophobicContact CE2-CE2 3.79Å; F675-F680 HydrophobicContact CE2-CG 4.22Å; F675-F680 AromaticContact CE2-CZ 3.35Å; F675-F680 HydrophobicContact CE2-CZ 3.35Å; F675-F680 HydrophobicContact CZ-CD1 4.47Å; F675-F680 AromaticContact CZ-CE1 3.92Å; F675-F680 HydrophobicContact CZ-CE1 3.92Å; F675-F680 HydrophobicContact CZ-CZ 4.22Å; F675-H692 PolarHBondContact O-CE1 3.41Å; F675-H692 PolarHBondContact O-ND1 2.75Å
676	S	95.8	Very high	96.2	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.021	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-81.2	-1.7	176.6	-47.6	0	0	0	0	113.1	H642 H662 S673 D674	H642-S676 VanDerWaalsContact CG-OG 3.29Å; H642-S676 WeakPolarHBondContact ND1-CB 3.31Å; H642-S676 PolarHBondContact ND1-OG 3.29Å; H662-S676 PolarHBondContact CE1-O 2.81Å; H662-S676 PolarHBondContact NE2-O 3.43Å; S673-S676 WeakPolarHBondContact O-CB 3.25Å; S673-S676 PolarHBondContact O-N 2.95Å; S673-S676 VanDerWaalsContact O-N 3.14Å; S673-S676 PolarHBondContact O-OG 3.14Å; D674-S676 PolarHBondContact O-N 3.03Å
677	S	97.5	Very high	96.4	Very high	16 Å²	16	55.7 Å²	55.7	11%	0.112	30%	0.297	C	S	.	.	S	Bend	trans	-65.8	150.5	178.9	-180	0	0	0	0	112.1	D674 F675 Q679 F680 H692	D674-S677 WeakPolarHBondContact O-CB 3.32Å; D674-S677 PolarHBondContact O-N 3.21Å; F675-S677 VanDerWaalsContact C-N 3.26Å; F675-S677 PolarHBondContact O-N 3.41Å; S677-Q679 PolarHBondContact O-N 3.32Å; S677-Q679 PolarHBondContact OG-N 2.86Å; S677-F680 PolarHBondContact O-N 3.03Å; S677-F680 VanDerWaalsContact O-N 3.14Å; S677-H692 PolarHBondContact O-ND1 2.86Å
678	S	96.7	Very high	96.5	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.021	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.9	168.8	52.2	0	0	0	0	113.6	F680 H692 Q849 I853	S678-F680 VanDerWaalsContact C-N 3.29Å; S678-F680 PolarHBondContact O-N 3.05Å; S678-H692 WeakPolarHBondContact CB-O 3.41Å; S678-Q849 PolarHBondContact OG-NE2 3.02Å; S678-Q849 PolarHBondContact OG-OE1 3.28Å; S678-I853 VanDerWaalsContact O-CD1 3.28Å; S678-I853 WeakPolarHBondContact O-CD1 3.45Å
679	Q	96.7	Very high	96.7	Very high	145 Å²	145	50 Å²	50	68%	0.678	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-18.6	175.8	-66	-176.8	3.5	0	0	114	S677 I853	S677-Q679 PolarHBondContact O-N 3.32Å; S677-Q679 PolarHBondContact OG-N 2.86Å; Q679-I853 HydrophobicContact CG-CD1 4.37Å
680	F	97.9	Very high	96.8	Very high	43 Å²	43	48.9 Å²	48.9	19%	0.189	27%	0.268	C	S	.	.			trans	-87.7	119.2	178.6	-175	-95.3	0	0	0	110.6	E651 F675 S677 S678 T683 T690 H692	E651-F680 HydrophobicContact CB-CE1 4.05Å; E651-F680 HydrophobicContact CB-CZ 3.9Å; E651-F680 WeakPolarHBondContact OE2-CZ 3.34Å; F675-F680 HydrophobicContact CD2-CD1 4.12Å; F675-F680 HydrophobicContact CD2-CD2 4.11Å; F675-F680 HydrophobicContact CD2-CE1 4.08Å; F675-F680 HydrophobicContact CD2-CE2 4.08Å; F675-F680 HydrophobicContact CD2-CG 4.13Å; F675-F680 HydrophobicContact CD2-CZ 4.07Å; F675-F680 AromaticContact CE2-CD1 3.82Å; F675-F680 HydrophobicContact CE2-CD1 3.82Å; F675-F680 HydrophobicContact CE2-CD2 4.21Å; F675-F680 AromaticContact CE2-CE1 3.35Å; F675-F680 HydrophobicContact CE2-CE1 3.35Å; F675-F680 AromaticContact CE2-CE2 3.79Å; F675-F680 HydrophobicContact CE2-CE2 3.79Å; F675-F680 HydrophobicContact CE2-CG 4.22Å; F675-F680 AromaticContact CE2-CZ 3.35Å; F675-F680 HydrophobicContact CE2-CZ 3.35Å; F675-F680 HydrophobicContact CZ-CD1 4.47Å; F675-F680 AromaticContact CZ-CE1 3.92Å; F675-F680 HydrophobicContact CZ-CE1 3.92Å; F675-F680 HydrophobicContact CZ-CZ 4.22Å; S677-F680 PolarHBondContact O-N 3.03Å; S677-F680 VanDerWaalsContact O-N 3.14Å; S678-F680 VanDerWaalsContact C-N 3.29Å; S678-F680 PolarHBondContact O-N 3.05Å; F680-T683 HydrophobicContact CE2-CG2 4.07Å; F680-T683 HydrophobicContact CZ-CG2 4.05Å; F680-T690 HydrophobicContact CD1-CG2 3.86Å; F680-T690 HydrophobicContact CE1-CG2 3.94Å; F680-H692 AromaticContact CD1-CE1 3.74Å
681	C	97.9	Very high	97	Very high	8 Å²	8	47 Å²	47	5%	0.054	26%	0.259	C	S	.	.			trans	-117.5	12.4	-173.6	-56.3	0	0	0	0	114.4	L687 G688 T690 I853 Y857	C681-L687 HydrophobicContact CB-CD1 4.18Å; C681-G688 WeakPolarHBondContact O-CA 3.29Å; C681-G688 PolarHBondContact O-N 2.64Å; C681-T690 CarbonylContact C-O 3.12Å; C681-T690 VanDerWaalsContact CA-O 3.3Å; C681-T690 WeakPolarHBondContact CA-O 3.32Å; C681-T690 PolarHBondContact O-N 3.03Å; C681-I853 WeakPolarHBondContact SG-CG2 3.43Å; C681-Y857 HydrophobicContact CB-CE2 4.08Å
682	G	98	Very high	97.1	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	25%	0.254	C	S	.	.			trans	92.2	179.5	-168.7	0	0	0	0	0	112.3	E651 L687	E651-G682 CarbonylContact O-C 3.59Å; E651-G682 WeakPolarHBondContact O-CA 3.47Å; G682-L687 WeakPolarHBondContact O-CD1 3.38Å
683	T	98.3	Very high	97.4	Very high	53 Å²	53	41.6 Å²	41.6	33%	0.325	23%	0.23	S	C	.	.	S	Bend	trans	-134	165.7	-175.2	71.1	0	0	0	0	110.9	E651 D652 F680 E685 G686 L687	E651-T683 PolarHBondContact O-N 3.1Å; D652-T683 WeakPolarHBondContact CA-O 3.18Å; F680-T683 HydrophobicContact CE2-CG2 4.07Å; F680-T683 HydrophobicContact CZ-CG2 4.05Å; T683-E685 PolarHBondContact O-N 3.07Å; T683-G686 CarbonylContact O-C 3.59Å; T683-G686 WeakPolarHBondContact O-CA 3.49Å; T683-G686 PolarHBondContact O-N 3.35Å; T683-L687 PolarHBondContact O-N 3.24Å
684	G	98	Very high	97.6	Very high	69 Å²	69	39.4 Å²	39.4	71%	0.711	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	53.7	-129.4	174.5	0	0	0	0	0	113.7	G686	G684-G686 VanDerWaalsContact C-N 3.31Å
685	E	97.7	Very high	97.8	Very high	156 Å²	156	33.5 Å²	33.5	73%	0.729	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-74.4	-21.4	177.1	-63.3	-173.3	168.1	0	0	112.6	P654 T683 L687	P654-E685 HydrophobicContact CB-CB 4.11Å; P654-E685 WeakPolarHBondContact CB-O 3.26Å; P654-E685 HydrophobicContact CG-CB 3.87Å; T683-E685 PolarHBondContact O-N 3.07Å; E685-L687 PolarHBondContact O-N 3.35Å
686	G	98	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-77.4	2.3	175.1	0	0	0	0	0	115	D652 T683 G684 G688 R689	D652-G686 PolarHBondContact O-N 3.03Å; T683-G686 CarbonylContact O-C 3.59Å; T683-G686 WeakPolarHBondContact O-CA 3.49Å; T683-G686 PolarHBondContact O-N 3.35Å; G684-G686 VanDerWaalsContact C-N 3.31Å; G686-G688 PolarHBondContact O-N 3.15Å; G686-R689 WeakPolarHBondContact O-CB 3.43Å; G686-R689 WeakPolarHBondContact O-CG 3.25Å; G686-R689 PolarHBondContact O-N 3.33Å
687	L	98.2	Very high	97.5	Very high	83 Å²	83	32.8 Å²	32.8	44%	0.435	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	130.4	178.7	-172.1	67.2	0	0	0	111.6	C681 G682 T683 E685 R689 Y857	C681-L687 HydrophobicContact CB-CD1 4.18Å; G682-L687 WeakPolarHBondContact O-CD1 3.38Å; T683-L687 PolarHBondContact O-N 3.24Å; E685-L687 PolarHBondContact O-N 3.35Å; L687-R689 VanDerWaalsContact C-N 3.29Å; L687-Y857 HydrophobicContact CD2-CE1 4Å; L687-Y857 HydrophobicContact CG-CE1 3.8Å
688	G	98	Very high	97.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-3.6	-175	0	0	0	0	0	114.3	C681 G686 W858	C681-G688 WeakPolarHBondContact O-CA 3.29Å; C681-G688 PolarHBondContact O-N 2.64Å; G686-G688 PolarHBondContact O-N 3.15Å; G688-W858 WeakPolarHBondContact O-CZ2 3.15Å; G688-W858 PolarHBondContact O-NE1 2.78Å; G688-W858 VanDerWaalsContact O-NE1 3.15Å
689	R	98.5	Very high	96.8	Very high	66 Å²	66	41.9 Å²	41.9	25%	0.249	22%	0.219	C	C	.	.			trans	-99.9	-6	-177.7	-51.4	-49.6	-172.2	78.5	10.9	114.6	P654 I656 L657 Y658 G686 L687 F720	P654-R689 VanDerWaalsContact O-CZ 3.27Å; P654-R689 PolarHBondContact O-NH1 3.27Å; P654-R689 PolarHBondContact O-NH2 3.43Å; I656-R689 WeakPolarHBondContact O-CB 3.35Å; L657-R689 CarbonylContact C-O 3.55Å; L657-R689 WeakPolarHBondContact CA-O 3.44Å; Y658-R689 PolarHBondContact N-O 2.98Å; G686-R689 WeakPolarHBondContact O-CB 3.43Å; G686-R689 WeakPolarHBondContact O-CG 3.25Å; G686-R689 PolarHBondContact O-N 3.33Å; L687-R689 VanDerWaalsContact C-N 3.29Å; R689-F720 VanDerWaalsContact NH1-CE2 3.26Å
690	T	98.7	Very high	96.7	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.3	166.5	-59.6	0	0	0	0	107.6	Y658 F680 C681 H692 H854	Y658-T690 HydrophobicContact CD1-CG2 4.07Å; Y658-T690 CarbonylContact O-C 3.37Å; Y658-T690 WeakPolarHBondContact O-CA 3.44Å; F680-T690 HydrophobicContact CD1-CG2 3.86Å; F680-T690 HydrophobicContact CE1-CG2 3.94Å; C681-T690 CarbonylContact C-O 3.12Å; C681-T690 VanDerWaalsContact CA-O 3.3Å; C681-T690 WeakPolarHBondContact CA-O 3.32Å; C681-T690 PolarHBondContact O-N 3.03Å; T690-H692 WeakPolarHBondContact CG2-NE2 3.41Å; T690-H854 PolarHBondContact O-CE1 3.03Å
691	I	98.8	Very high	96.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.8	-174.6	-53	-178.6	0	0	0	108.5	L657 Y658 I659 S660 I693 I716 T850 W858	L657-I691 HydrophobicContact CD1-CD1 3.81Å; L657-I691 HydrophobicContact CD1-CG1 4.3Å; Y658-I691 PolarHBondContact O-N 3.24Å; I659-I691 CarbonylContact C-O 3.51Å; I659-I691 WeakPolarHBondContact CA-O 3.31Å; I659-I691 HydrophobicContact CB-CB 4.42Å; I659-I691 HydrophobicContact CD1-CD1 4.06Å; I659-I691 HydrophobicContact CG1-CB 4.1Å; I659-I691 HydrophobicContact CG1-CD1 4.07Å; I659-I691 HydrophobicContact CG1-CG1 4.36Å; I659-I691 HydrophobicContact CG2-CB 4.22Å; I659-I691 HydrophobicContact CG2-CG2 4.28Å; S660-I691 PolarHBondContact N-O 2.9Å; I691-I693 HydrophobicContact CG2-CD1 4Å; I691-I716 HydrophobicContact CD1-CD1 3.46Å; I691-I716 VanDerWaalsContact CD1-CD1 3.46Å; I691-I716 HydrophobicContact CD1-CG1 4.43Å; I691-I716 HydrophobicContact CD1-CG2 3.93Å; I691-T850 HydrophobicContact CG2-CG2 4.06Å; I691-W858 HydrophobicContact CD1-CZ2 4.31Å
692	H	98.6	Very high	96.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.4	179.2	-62.6	158.1	0	0	0	110.5	H642 Y658 F675 S677 S678 F680 T690 T850	H642-H692 AromaticContact CD2-CD2 3.97Å; H642-H692 AromaticContact CD2-NE2 3.83Å; H642-H692 AromaticContact CE1-CE1 3.8Å; H642-H692 AromaticContact CE1-NE2 3.79Å; H642-H692 AromaticContact NE2-CD2 3.49Å; H642-H692 PolarHBondContact NE2-CD2 3.01Å; H642-H692 AromaticContact NE2-CE1 3.25Å; H642-H692 PolarHBondContact NE2-CE1 3.07Å; H642-H692 VanDerWaalsContact NE2-CE1 3.25Å; H642-H692 AromaticContact NE2-ND1 3.93Å; H642-H692 AromaticContact NE2-NE2 2.89Å; H642-H692 PolarHBondContact NE2-NE2 3.36Å; Y658-H692 AromaticContact CE1-NE2 3.88Å; F675-H692 PolarHBondContact O-CE1 3.41Å; F675-H692 PolarHBondContact O-ND1 2.75Å; S677-H692 PolarHBondContact O-ND1 2.86Å; S678-H692 WeakPolarHBondContact CB-O 3.41Å; F680-H692 AromaticContact CD1-CE1 3.74Å; T690-H692 WeakPolarHBondContact CG2-NE2 3.41Å; H692-T850 PolarHBondContact O-OG1 3.19Å; H692-T850 VanDerWaalsContact O-OG1 3.05Å
693	I	98.6	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	95.1	167.3	-57.3	88.6	0	0	0	106.9	I659 S660 V661 H662 I691 W695 T708 I713 T850	I659-I693 HydrophobicContact CG2-CD1 3.62Å; S660-I693 PolarHBondContact O-N 3.29Å; V661-I693 HydrophobicContact CB-CB 4.5Å; V661-I693 HydrophobicContact CG1-CB 4.46Å; V661-I693 HydrophobicContact CG1-CG2 4.46Å; V661-I693 HydrophobicContact CG2-CB 4.14Å; V661-I693 HydrophobicContact CG2-CD1 3.97Å; V661-I693 HydrophobicContact CG2-CG1 4.38Å; H662-I693 PolarHBondContact N-O 3.43Å; I691-I693 HydrophobicContact CG2-CD1 4Å; I693-W695 HydrophobicContact CG2-CD2 4.43Å; I693-W695 HydrophobicContact CG2-CE3 4.35Å; I693-W695 HydrophobicContact CG2-CH2 3.53Å; I693-W695 HydrophobicContact CG2-CZ2 3.61Å; I693-W695 HydrophobicContact CG2-CZ3 3.91Å; I693-T708 HydrophobicContact CB-CG2 4.31Å; I693-T708 HydrophobicContact CD1-CG2 4.39Å; I693-T708 HydrophobicContact CG1-CG2 3.92Å; I693-T708 HydrophobicContact CG2-CG2 3.95Å; I693-I713 HydrophobicContact CD1-CG1 4.49Å; I693-T850 HydrophobicContact CG1-CG2 4.05Å
694	A	98.1	Very high	96.1	Very high	2 Å²	2	32.3 Å²	32.3	2%	0.017	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	100.4	-167	0	0	0	0	0	111.6	F664 N696 S846	F664-A694 HydrophobicContact CB-CB 3.65Å; F664-A694 HydrophobicContact CD1-CB 4.04Å; F664-A694 HydrophobicContact CG-CB 3.91Å; A694-N696 PolarHBondContact O-ND2 3.17Å; A694-S846 WeakPolarHBondContact O-CB 3.3Å; A694-S846 PolarHBondContact O-OG 3.45Å
695	W	97.8	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131	-178.4	-54.3	127.7	0	0	0	113.1	V661 H662 F664 D665 I693 V700 Y705 T708 S843 M847	V661-W695 HydrophobicContact CG1-CZ2 3.69Å; H662-W695 VanDerWaalsContact O-CD1 3.3Å; H662-W695 PolarHBondContact O-N 3.01Å; F664-W695 PolarHBondContact N-O 3.25Å; D665-W695 PolarHBondContact N-O 2.79Å; D665-W695 VanDerWaalsContact N-O 3.12Å; I693-W695 HydrophobicContact CG2-CD2 4.43Å; I693-W695 HydrophobicContact CG2-CE3 4.35Å; I693-W695 HydrophobicContact CG2-CH2 3.53Å; I693-W695 HydrophobicContact CG2-CZ2 3.61Å; I693-W695 HydrophobicContact CG2-CZ3 3.91Å; W695-V700 HydrophobicContact CB-CG2 3.98Å; W695-V700 HydrophobicContact CD2-CG1 4.42Å; W695-V700 HydrophobicContact CD2-CG2 4.27Å; W695-V700 HydrophobicContact CG-CG1 4.41Å; W695-V700 HydrophobicContact CG-CG2 3.93Å; W695-Y705 AromaticContact NE1-CE2 3.98Å; W695-T708 WeakPolarHBondContact CH2-OG1 3.38Å; W695-T708 HydrophobicContact CZ2-CG2 4.48Å; W695-T708 VanDerWaalsContact CZ2-OG1 3.27Å; W695-T708 WeakPolarHBondContact CZ2-OG1 3.3Å; W695-S843 WeakPolarHBondContact CZ3-O 3.34Å; W695-M847 HydrophobicContact CH2-CG 3.71Å; W695-M847 HydrophobicContact CH2-SD 4.14Å; W695-M847 HydrophobicContact CZ3-CG 3.85Å
696	N	95.5	Very high	96.1	Very high	27 Å²	27	21.6 Å²	21.6	14%	0.144	10%	0.099	C	C	.	.			trans	-111.3	54.2	177.6	-69.5	-55.4	0	0	0	112.2	F664 D665 H666 A694 K842	F664-N696 WeakPolarHBondContact CD1-OD1 3.26Å; D665-N696 WeakPolarHBondContact CA-OD1 3.34Å; D665-N696 PolarHBondContact N-OD1 2.95Å; H666-N696 PolarHBondContact N-OD1 2.83Å; A694-N696 PolarHBondContact O-ND2 3.17Å; N696-K842 WeakPolarHBondContact O-CD 3.29Å
697	G	89.2	Confident	96	Very high	7 Å²	7	21.6 Å²	21.6	7%	0.072	10%	0.099	C	C	.	.			trans	-179	172	-175.4	0	0	0	0	0	113
698	R	89.9	Confident	96	Very high	142 Å²	142	17.7 Å²	17.7	54%	0.536	8%	0.079	S	C	.	.	S	Bend	trans	-108	-9.5	173.2	-66.6	-174.4	-171.3	166.1	5.9	112.7	R663 V700	R663-R698 VanDerWaalsContact NH2-CG 3.33Å; R698-V700 PolarHBondContact O-N 2.75Å; R698-V700 VanDerWaalsContact O-N 3.09Å
699	D	90	Very high	96.1	Very high	69 Å²	69	17.6 Å²	17.6	37%	0.369	8%	0.078	S	C	.	.			trans	-79.3	27	-179.2	48.1	-37.1	0	0	0	112.9	S840	D699-S840 VanDerWaalsContact OD2-CB 3.3Å; D699-S840 WeakPolarHBondContact OD2-CB 3.47Å
700	V	94.2	Very high	96	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.066	C	C	.	.			trans	-91.5	128.5	178	-175.2	0	0	0	0	109.5	W695 R698 D704 Y705 L742 G743	W695-V700 HydrophobicContact CB-CG2 3.98Å; W695-V700 HydrophobicContact CD2-CG1 4.42Å; W695-V700 HydrophobicContact CD2-CG2 4.27Å; W695-V700 HydrophobicContact CG-CG1 4.41Å; W695-V700 HydrophobicContact CG-CG2 3.93Å; R698-V700 PolarHBondContact O-N 2.75Å; R698-V700 VanDerWaalsContact O-N 3.09Å; V700-D704 WeakPolarHBondContact CA-OD2 3.4Å; V700-D704 HydrophobicContact CG1-CB 3.72Å; V700-Y705 HydrophobicContact CG1-CD2 3.92Å; V700-Y705 HydrophobicContact CG1-CE2 3.77Å; V700-L742 HydrophobicContact CB-CD1 4.05Å; V700-L742 HydrophobicContact CB-CD2 4.04Å; V700-L742 HydrophobicContact CB-CG 4.47Å; V700-L742 HydrophobicContact CG1-CD1 4.19Å; V700-L742 HydrophobicContact CG2-CD2 4.29Å; V700-G743 PolarHBondContact O-N 3.3Å
701	K	93.8	Very high	96	Very high	54 Å²	54	14.5 Å²	14.5	24%	0.235	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-136.8	-165.7	-177.7	-56.2	178	-168.4	161	0	110.5	G703 D704 Y705 N836	K701-G703 VanDerWaalsContact C-N 3.33Å; K701-G703 PolarHBondContact O-N 3.38Å; K701-D704 PolarHBondContact N-OD2 2.93Å; K701-D704 PolarHBondContact O-N 3.3Å; K701-Y705 PolarHBondContact O-N 3.21Å; K701-N836 PolarHBondContact NZ-ND2 2.67Å; K701-N836 PolarHBondContact NZ-OD1 2.9Å
702	D	95.4	Very high	96	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-49.6	-50.2	178.1	-58.5	-6.1	0	0	0	112.1	D704 Y705 I706 V744 S745 C748 L833 S834 L837	D702-D704 VanDerWaalsContact C-N 3.3Å; D702-D704 PolarHBondContact O-N 2.87Å; D702-Y705 PolarHBondContact O-N 2.96Å; D702-I706 WeakPolarHBondContact O-CB 3.39Å; D702-I706 VanDerWaalsContact O-CG1 3.3Å; D702-I706 WeakPolarHBondContact O-CG1 3.5Å; D702-I706 PolarHBondContact O-N 3.23Å; D702-V744 WeakPolarHBondContact OD1-CA 3.21Å; D702-S745 WeakPolarHBondContact OD1-CB 3.37Å; D702-S745 PolarHBondContact OD1-N 3.18Å; D702-S745 WeakPolarHBondContact OD2-CB 3.4Å; D702-S745 PolarHBondContact OD2-OG 3.47Å; D702-C748 HydrophobicContact CB-CB 4.25Å; D702-L833 HydrophobicContact CB-CD2 4.49Å; D702-S834 PolarHBondContact OD2-OG 3.45Å; D702-L837 HydrophobicContact CB-CD2 3.8Å
703	G	95.5	Very high	96	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.1	-38.3	-175.5	0	0	0	0	0	113.6	K701 I706 V707 I839	K701-G703 VanDerWaalsContact C-N 3.33Å; K701-G703 PolarHBondContact O-N 3.38Å; G703-I706 PolarHBondContact O-N 2.65Å; G703-V707 WeakPolarHBondContact O-CB 3.28Å; G703-V707 WeakPolarHBondContact O-CG2 3.44Å; G703-V707 PolarHBondContact O-N 3.32Å; G703-I839 WeakPolarHBondContact O-CG2 3.45Å
704	D	96.2	Very high	96	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66.1	-42.7	179.3	-51.9	-86.8	0	0	0	111.5	V700 K701 D702 T708 S840 S843	V700-D704 WeakPolarHBondContact CA-OD2 3.4Å; V700-D704 HydrophobicContact CG1-CB 3.72Å; K701-D704 PolarHBondContact N-OD2 2.93Å; K701-D704 PolarHBondContact O-N 3.3Å; D702-D704 VanDerWaalsContact C-N 3.3Å; D702-D704 PolarHBondContact O-N 2.87Å; D704-T708 WeakPolarHBondContact O-CB 3.27Å; D704-T708 PolarHBondContact O-N 2.97Å; D704-T708 PolarHBondContact O-OG1 3.38Å; D704-S840 PolarHBondContact OD1-N 3.24Å; D704-S843 VanDerWaalsContact CG-OG 3.29Å; D704-S843 WeakPolarHBondContact OD1-CB 3.47Å; D704-S843 PolarHBondContact OD1-OG 3.09Å
705	Y	97.3	Very high	96	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.5	-44.5	175.6	-90.4	-101.4	0	0	0	111.7	W638 V661 W695 V700 K701 D702 T708 F709 A733 L742 V744 L752	W638-Y705 HydrophobicContact CB-CE1 4.34Å; V661-Y705 HydrophobicContact CB-CE1 4.3Å; V661-Y705 HydrophobicContact CG1-CD1 4.22Å; V661-Y705 HydrophobicContact CG1-CE1 3.74Å; V661-Y705 HydrophobicContact CG1-CE2 4.49Å; W695-Y705 AromaticContact NE1-CE2 3.98Å; V700-Y705 HydrophobicContact CG1-CD2 3.92Å; V700-Y705 HydrophobicContact CG1-CE2 3.77Å; K701-Y705 PolarHBondContact O-N 3.21Å; D702-Y705 PolarHBondContact O-N 2.96Å; Y705-T708 WeakPolarHBondContact O-CB 3.25Å; Y705-T708 PolarHBondContact O-N 2.7Å; Y705-F709 HydrophobicContact CD1-CE2 4.45Å; Y705-F709 VanDerWaalsContact O-CD2 3.31Å; Y705-F709 WeakPolarHBondContact O-CD2 3.19Å; Y705-F709 PolarHBondContact O-N 3.37Å; Y705-A733 HydrophobicContact CE2-CB 4.35Å; Y705-A733 WeakPolarHBondContact OH-CB 3.26Å; Y705-L742 HydrophobicContact CE2-CD1 4.48Å; Y705-V744 HydrophobicContact CD2-CG2 3.55Å; Y705-V744 HydrophobicContact CE2-CG2 3.53Å; Y705-V744 HydrophobicContact CG-CG2 4.39Å; Y705-L752 HydrophobicContact CD1-CD1 3.79Å
706	I	97.4	Very high	96	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-60.3	-51.1	179.1	-69	-61.5	0	0	0	111	Y298 F403 D702 G703 T708 F709 T710 H751 L752 L833	Y298-I706 HydrophobicContact CD1-CD1 4.34Å; Y298-I706 HydrophobicContact CD1-CG1 4.36Å; Y298-I706 HydrophobicContact CD1-CG2 3.79Å; Y298-I706 HydrophobicContact CD2-CG2 3.4Å; Y298-I706 VanDerWaalsContact CD2-CG2 3.4Å; Y298-I706 HydrophobicContact CE1-CD1 3.8Å; Y298-I706 HydrophobicContact CE1-CG1 4.31Å; Y298-I706 HydrophobicContact CE1-CG2 4.02Å; Y298-I706 HydrophobicContact CE2-CG2 3.69Å; Y298-I706 HydrophobicContact CG-CG2 3.49Å; Y298-I706 VanDerWaalsContact CG-CG2 3.49Å; F403-I706 HydrophobicContact CE2-CB 4.5Å; F403-I706 HydrophobicContact CE2-CG2 4.04Å; D702-I706 WeakPolarHBondContact O-CB 3.39Å; D702-I706 VanDerWaalsContact O-CG1 3.3Å; D702-I706 WeakPolarHBondContact O-CG1 3.5Å; D702-I706 PolarHBondContact O-N 3.23Å; G703-I706 PolarHBondContact O-N 2.65Å; I706-T708 VanDerWaalsContact C-N 3.3Å; I706-T708 PolarHBondContact O-N 2.72Å; I706-F709 PolarHBondContact O-N 2.84Å; I706-F709 VanDerWaalsContact O-N 3.11Å; I706-T710 HydrophobicContact CG2-CG2 4.38Å; I706-T710 WeakPolarHBondContact O-CG2 3.27Å; I706-T710 PolarHBondContact O-N 3.48Å; I706-T710 PolarHBondContact O-OG1 2.73Å; I706-T710 VanDerWaalsContact O-OG1 3.11Å; I706-H751 HydrophobicContact CD1-CB 3.7Å; I706-L752 HydrophobicContact CD1-CD2 4.23Å; I706-L833 HydrophobicContact CD1-CD1 4.37Å; I706-L833 HydrophobicContact CG1-CD1 4.04Å
707	V	97.1	Very high	96.2	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-63.5	-37.7	179.6	173.8	0	0	0	0	111.3	F403 I406 G703 F709 T710 N711 I839 M847	F403-V707 HydrophobicContact CB-CG2 3.91Å; F403-V707 HydrophobicContact CD1-CG2 4Å; F403-V707 HydrophobicContact CD2-CG2 3.51Å; F403-V707 HydrophobicContact CE1-CG2 4.34Å; F403-V707 HydrophobicContact CE2-CG2 3.94Å; F403-V707 HydrophobicContact CG-CG2 3.56Å; F403-V707 HydrophobicContact CZ-CG2 4.36Å; I406-V707 HydrophobicContact CB-CG1 4.21Å; I406-V707 HydrophobicContact CD1-CG1 3.81Å; I406-V707 HydrophobicContact CG2-CG1 4.29Å; G703-V707 WeakPolarHBondContact O-CB 3.28Å; G703-V707 WeakPolarHBondContact O-CG2 3.44Å; G703-V707 PolarHBondContact O-N 3.32Å; V707-F709 VanDerWaalsContact C-N 3.34Å; V707-F709 PolarHBondContact O-N 3.02Å; V707-T710 WeakPolarHBondContact CA-OG1 3.24Å; V707-T710 PolarHBondContact O-OG1 3.05Å; V707-N711 VanDerWaalsContact O-CB 3.22Å; V707-N711 WeakPolarHBondContact O-CB 3.42Å; V707-N711 PolarHBondContact O-N 2.89Å; V707-N711 PolarHBondContact O-OD1 3.08Å; V707-I839 HydrophobicContact CB-CG2 4.47Å; V707-I839 HydrophobicContact CG2-CG2 3.93Å; V707-M847 HydrophobicContact CB-CE 4.45Å; V707-M847 HydrophobicContact CB-SD 4.3Å; V707-M847 HydrophobicContact CG1-CE 3.97Å; V707-M847 HydrophobicContact CG1-SD 3.85Å
708	T	98.2	Very high	96.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-59	-46.3	172.7	-60.6	0	0	0	0	111.6	V661 I693 W695 D704 Y705 I706 I712 I713 M847	V661-T708 HydrophobicContact CG2-CG2 3.95Å; I693-T708 HydrophobicContact CB-CG2 4.31Å; I693-T708 HydrophobicContact CD1-CG2 4.39Å; I693-T708 HydrophobicContact CG1-CG2 3.92Å; I693-T708 HydrophobicContact CG2-CG2 3.95Å; W695-T708 WeakPolarHBondContact CH2-OG1 3.38Å; W695-T708 HydrophobicContact CZ2-CG2 4.48Å; W695-T708 VanDerWaalsContact CZ2-OG1 3.27Å; W695-T708 WeakPolarHBondContact CZ2-OG1 3.3Å; D704-T708 WeakPolarHBondContact O-CB 3.27Å; D704-T708 PolarHBondContact O-N 2.97Å; D704-T708 PolarHBondContact O-OG1 3.38Å; Y705-T708 WeakPolarHBondContact O-CB 3.25Å; Y705-T708 PolarHBondContact O-N 2.7Å; I706-T708 VanDerWaalsContact C-N 3.3Å; I706-T708 PolarHBondContact O-N 2.72Å; T708-I712 WeakPolarHBondContact O-CA 3.48Å; T708-I712 WeakPolarHBondContact O-CB 3.49Å; T708-I712 PolarHBondContact O-N 3.3Å; T708-I713 HydrophobicContact CG2-CD1 3.98Å; T708-I713 HydrophobicContact CG2-CG1 4.14Å; T708-I713 PolarHBondContact O-N 3.08Å; T708-I713 VanDerWaalsContact O-N 3.12Å; T708-M847 PolarHBondContact OG1-SD 3.13Å; T708-M847 VanDerWaalsContact OG1-SD 3.38Å
709	F	98.6	Very high	97	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.04	C	C	.	.	I	π-helix	trans	-67	-47.7	-179.3	-92.8	-109.6	0	0	0	111.7	I636 W638 Y705 I706 V707 I713 I714 L752 L755 L756	I636-F709 HydrophobicContact CG2-CE1 4.47Å; I636-F709 HydrophobicContact CG2-CZ 4.07Å; W638-F709 HydrophobicContact CE3-CE1 4.38Å; W638-F709 AromaticContact CE3-CZ 3.82Å; W638-F709 HydrophobicContact CE3-CZ 3.82Å; W638-F709 HydrophobicContact CZ3-CZ 4.45Å; Y705-F709 HydrophobicContact CD1-CE2 4.45Å; Y705-F709 VanDerWaalsContact O-CD2 3.31Å; Y705-F709 WeakPolarHBondContact O-CD2 3.19Å; Y705-F709 PolarHBondContact O-N 3.37Å; I706-F709 PolarHBondContact O-N 2.84Å; I706-F709 VanDerWaalsContact O-N 3.11Å; V707-F709 VanDerWaalsContact C-N 3.34Å; V707-F709 PolarHBondContact O-N 3.02Å; F709-I713 HydrophobicContact CD1-CG2 4.47Å; F709-I713 HydrophobicContact CD2-CD1 3.71Å; F709-I713 HydrophobicContact CE1-CD1 4.35Å; F709-I713 HydrophobicContact CE1-CG2 4.39Å; F709-I713 HydrophobicContact CE2-CD1 3.54Å; F709-I713 HydrophobicContact CG-CD1 4.19Å; F709-I713 HydrophobicContact CZ-CD1 3.85Å; F709-I714 VanDerWaalsContact O-CB 3.27Å; F709-I714 WeakPolarHBondContact O-CB 3.41Å; F709-I714 VanDerWaalsContact O-CG1 3.25Å; F709-I714 WeakPolarHBondContact O-CG1 3.29Å; F709-I714 PolarHBondContact O-N 3.43Å; F709-L752 HydrophobicContact CB-CD2 4.24Å; F709-L752 HydrophobicContact CD1-CB 4.38Å; F709-L752 HydrophobicContact CD1-CD2 4.01Å; F709-L752 HydrophobicContact CD2-CD1 4.43Å; F709-L752 HydrophobicContact CD2-CD2 3.54Å; F709-L752 HydrophobicContact CD2-CG 4.47Å; F709-L752 HydrophobicContact CE1-CB 4.06Å; F709-L752 HydrophobicContact CE1-CD2 4.28Å; F709-L752 HydrophobicContact CE2-CD1 3.88Å; F709-L752 HydrophobicContact CE2-CD2 3.83Å; F709-L752 HydrophobicContact CE2-CG 4.29Å; F709-L752 HydrophobicContact CG-CD2 3.65Å; F709-L752 HydrophobicContact CZ-CB 4.2Å; F709-L752 HydrophobicContact CZ-CD1 4.07Å; F709-L752 HydrophobicContact CZ-CD2 4.22Å; F709-L752 HydrophobicContact CZ-CG 4.37Å; F709-L755 HydrophobicContact CB-CD1 3.79Å; F709-L756 HydrophobicContact CE1-CD1 4.43Å; F709-L756 HydrophobicContact CE1-CD2 4.16Å; F709-L756 HydrophobicContact CE1-CG 4.11Å
710	T	97.8	Very high	97.4	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.006	3%	0.025	C	C	.	.	I	π-helix	trans	-68.7	-37.1	-177.3	54.7	0	0	0	0	112.2	H290 L294 Y298 I706 V707 P715 L755	H290-T710 VanDerWaalsContact CB-O 3.23Å; H290-T710 WeakPolarHBondContact CB-O 3.44Å; L294-T710 HydrophobicContact CB-CG2 4.1Å; L294-T710 HydrophobicContact CD1-CG2 4.09Å; Y298-T710 HydrophobicContact CD2-CG2 4.44Å; Y298-T710 HydrophobicContact CE2-CG2 4.02Å; I706-T710 HydrophobicContact CG2-CG2 4.38Å; I706-T710 WeakPolarHBondContact O-CG2 3.27Å; I706-T710 PolarHBondContact O-N 3.48Å; I706-T710 PolarHBondContact O-OG1 2.73Å; I706-T710 VanDerWaalsContact O-OG1 3.11Å; V707-T710 WeakPolarHBondContact CA-OG1 3.24Å; V707-T710 PolarHBondContact O-OG1 3.05Å; T710-P715 VanDerWaalsContact O-CD 3.23Å; T710-P715 WeakPolarHBondContact O-CD 3.27Å; T710-P715 VanDerWaalsContact O-CG 3.28Å; T710-P715 WeakPolarHBondContact O-CG 3.39Å; T710-L755 HydrophobicContact CG2-CD1 4.21Å; T710-L755 HydrophobicContact CG2-CD2 4.37Å
711	N	97.6	Very high	97.6	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.005	3%	0.029	C	C	.	.	I	π-helix	trans	-101	-18.5	-169.9	-63.7	42.1	0	0	0	114.2	H290 I406 Y407 V707 F864	H290-N711 PolarHBondContact O-OD1 3.19Å; H290-N711 VanDerWaalsContact O-OD1 3.06Å; I406-N711 HydrophobicContact CD1-CB 4Å; Y407-N711 PolarHBondContact OH-ND2 3.18Å; V707-N711 VanDerWaalsContact O-CB 3.22Å; V707-N711 WeakPolarHBondContact O-CB 3.42Å; V707-N711 PolarHBondContact O-N 2.89Å; V707-N711 PolarHBondContact O-OD1 3.08Å; N711-F864 HydrophobicContact CB-CE1 4.35Å; N711-F864 HydrophobicContact CB-CZ 4.06Å
712	I	98.5	Very high	97.8	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.018	C	C	.	.	I	π-helix	trans	-121.9	-61.8	-177.1	-55	177.7	0	0	0	110.8	T708 P715 I716 M847 T850 I851	T708-I712 WeakPolarHBondContact O-CA 3.48Å; T708-I712 WeakPolarHBondContact O-CB 3.49Å; T708-I712 PolarHBondContact O-N 3.3Å; I712-P715 WeakPolarHBondContact O-CD 3.44Å; I712-I716 HydrophobicContact CG2-CD1 3.84Å; I712-I716 WeakPolarHBondContact O-CB 3.44Å; I712-I716 VanDerWaalsContact O-CD1 3.28Å; I712-I716 WeakPolarHBondContact O-CD1 3.28Å; I712-I716 WeakPolarHBondContact O-CG1 3.12Å; I712-I716 PolarHBondContact O-N 3.31Å; I712-M847 HydrophobicContact CD1-CB 3.98Å; I712-M847 HydrophobicContact CD1-CG 4.05Å; I712-T850 HydrophobicContact CD1-CG2 4.37Å; I712-T850 HydrophobicContact CG2-CG2 4.28Å; I712-I851 HydrophobicContact CD1-CD1 4Å; I712-I851 HydrophobicContact CD1-CG1 3.86Å; I712-I851 HydrophobicContact CG1-CD1 3.98Å; I712-I851 HydrophobicContact CG1-CG1 3.85Å
713	I	98.8	Very high	97.9	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.02	C	C	.	.	I	π-helix	trans	-70.8	-54	-167	-56.6	-174.3	0	0	0	112.1	I636 I659 V661 I693 T708 F709 I716 L717	I636-I713 HydrophobicContact CD1-CG2 4.11Å; I659-I713 HydrophobicContact CD1-CG2 4.15Å; I659-I713 HydrophobicContact CG2-CD1 4.03Å; I659-I713 HydrophobicContact CG2-CG1 4.02Å; V661-I713 HydrophobicContact CG2-CD1 3.54Å; I693-I713 HydrophobicContact CD1-CG1 4.49Å; T708-I713 HydrophobicContact CG2-CD1 3.98Å; T708-I713 HydrophobicContact CG2-CG1 4.14Å; T708-I713 PolarHBondContact O-N 3.08Å; T708-I713 VanDerWaalsContact O-N 3.12Å; F709-I713 HydrophobicContact CD1-CG2 4.47Å; F709-I713 HydrophobicContact CD2-CD1 3.71Å; F709-I713 HydrophobicContact CE1-CD1 4.35Å; F709-I713 HydrophobicContact CE1-CG2 4.39Å; F709-I713 HydrophobicContact CE2-CD1 3.54Å; F709-I713 HydrophobicContact CG-CD1 4.19Å; F709-I713 HydrophobicContact CZ-CD1 3.85Å; I713-I716 PolarHBondContact O-N 3.31Å; I713-L717 HydrophobicContact CG2-CD1 3.83Å; I713-L717 HydrophobicContact CG2-CG 4.41Å; I713-L717 VanDerWaalsContact O-CG 3.31Å; I713-L717 WeakPolarHBondContact O-CG 3.33Å; I713-L717 PolarHBondContact O-N 2.93Å
714	I	98.8	Very high	98	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-62	-45.1	-179	-64	-59.6	0	0	0	111.8	F709 I716 L717 Y718 L755 L756 V759	F709-I714 VanDerWaalsContact O-CB 3.27Å; F709-I714 WeakPolarHBondContact O-CB 3.41Å; F709-I714 VanDerWaalsContact O-CG1 3.25Å; F709-I714 WeakPolarHBondContact O-CG1 3.29Å; F709-I714 PolarHBondContact O-N 3.43Å; I714-I716 VanDerWaalsContact C-N 3.35Å; I714-I716 PolarHBondContact O-N 3.44Å; I714-L717 HydrophobicContact CD1-CD1 4.37Å; I714-L717 PolarHBondContact O-N 3.48Å; I714-L717 VanDerWaalsContact O-N 3.14Å; I714-Y718 HydrophobicContact CG2-CD2 3.71Å; I714-Y718 HydrophobicContact CG2-CE2 3.54Å; I714-Y718 VanDerWaalsContact O-CD2 3.31Å; I714-Y718 WeakPolarHBondContact O-CD2 3.46Å; I714-Y718 PolarHBondContact O-N 3.32Å; I714-L755 HydrophobicContact CD1-CB 4Å; I714-L755 WeakPolarHBondContact CD1-O 3.38Å; I714-L755 HydrophobicContact CG1-CB 4.07Å; I714-L756 HydrophobicContact CD1-CD2 4.24Å; I714-V759 HydrophobicContact CD1-CG2 4.2Å; I714-V759 HydrophobicContact CG2-CG1 4.19Å
715	P	98.6	Very high	98.1	Very high	4 Å²	4	4.5 Å²	4.5	3%	0.026	2%	0.02	C	C	.	.	H	α-helix	trans	-55.5	-45.3	174	-25.5	31.6	0	0	0	113.5	H290 T710 I712 L717 Y718 E719 M860 L861	H290-P715 HydrophobicContact CB-CG 4.32Å; T710-P715 VanDerWaalsContact O-CD 3.23Å; T710-P715 WeakPolarHBondContact O-CD 3.27Å; T710-P715 VanDerWaalsContact O-CG 3.28Å; T710-P715 WeakPolarHBondContact O-CG 3.39Å; I712-P715 WeakPolarHBondContact O-CD 3.44Å; P715-L717 VanDerWaalsContact C-N 3.32Å; P715-L717 PolarHBondContact O-N 3.2Å; P715-Y718 PolarHBondContact O-N 3.16Å; P715-E719 PolarHBondContact O-N 3.39Å; P715-M860 HydrophobicContact CB-CB 3.81Å; P715-L861 HydrophobicContact CB-CD2 4.47Å
716	I	98.7	Very high	98.2	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63	-40.2	176.5	-70.5	164.8	0	0	0	111.1	L657 I659 I691 I712 I713 I714 Y718 E719 F720 W858 L861	L657-I716 HydrophobicContact CD1-CG2 4.27Å; L657-I716 HydrophobicContact CD2-CG2 3.74Å; I659-I716 HydrophobicContact CD1-CG2 4.15Å; I691-I716 HydrophobicContact CD1-CD1 3.46Å; I691-I716 VanDerWaalsContact CD1-CD1 3.46Å; I691-I716 HydrophobicContact CD1-CG1 4.43Å; I691-I716 HydrophobicContact CD1-CG2 3.93Å; I712-I716 HydrophobicContact CG2-CD1 3.84Å; I712-I716 WeakPolarHBondContact O-CB 3.44Å; I712-I716 VanDerWaalsContact O-CD1 3.28Å; I712-I716 WeakPolarHBondContact O-CD1 3.28Å; I712-I716 WeakPolarHBondContact O-CG1 3.12Å; I712-I716 PolarHBondContact O-N 3.31Å; I713-I716 PolarHBondContact O-N 3.31Å; I714-I716 VanDerWaalsContact C-N 3.35Å; I714-I716 PolarHBondContact O-N 3.44Å; I716-Y718 VanDerWaalsContact C-N 3.33Å; I716-Y718 PolarHBondContact O-N 3.43Å; I716-E719 PolarHBondContact O-N 3.32Å; I716-E719 VanDerWaalsContact O-N 3.17Å; I716-F720 VanDerWaalsContact O-CB 3.32Å; I716-F720 WeakPolarHBondContact O-CB 3.49Å; I716-F720 PolarHBondContact O-N 3.44Å; I716-W858 HydrophobicContact CD1-CG 4.44Å; I716-W858 HydrophobicContact CG1-CB 4.24Å; I716-W858 HydrophobicContact CG1-CD2 4.15Å; I716-W858 HydrophobicContact CG1-CG 3.91Å; I716-W858 HydrophobicContact CG2-CD2 3.82Å; I716-W858 HydrophobicContact CG2-CE3 3.97Å; I716-W858 HydrophobicContact CG2-CG 4.44Å; I716-W858 HydrophobicContact CG2-CH2 4.03Å; I716-W858 HydrophobicContact CG2-CZ2 3.89Å; I716-W858 HydrophobicContact CG2-CZ3 4.06Å; I716-L861 HydrophobicContact CD1-CD1 3.65Å; I716-L861 HydrophobicContact CD1-CD2 4.33Å; I716-L861 HydrophobicContact CD1-CG 4.21Å; I716-L861 HydrophobicContact CG1-CD1 3.98Å; I716-L861 HydrophobicContact CG1-CD2 4.16Å; I716-L861 HydrophobicContact CG1-CG 4.02Å
717	L	98.8	Very high	98.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-67.5	-32.5	178.3	-68.7	172.2	0	0	0	112.9	A634 I636 L657 I713 I714 P715 E719 R721 P722 L756 V759	A634-L717 HydrophobicContact CB-CD2 3.54Å; I636-L717 HydrophobicContact CD1-CD1 4.04Å; I636-L717 HydrophobicContact CD1-CD2 4.16Å; I636-L717 HydrophobicContact CG1-CD1 4.45Å; L657-L717 HydrophobicContact CD2-CD2 3.85Å; I713-L717 HydrophobicContact CG2-CD1 3.83Å; I713-L717 HydrophobicContact CG2-CG 4.41Å; I713-L717 VanDerWaalsContact O-CG 3.31Å; I713-L717 WeakPolarHBondContact O-CG 3.33Å; I713-L717 PolarHBondContact O-N 2.93Å; I714-L717 HydrophobicContact CD1-CD1 4.37Å; I714-L717 PolarHBondContact O-N 3.48Å; I714-L717 VanDerWaalsContact O-N 3.14Å; P715-L717 VanDerWaalsContact C-N 3.32Å; P715-L717 PolarHBondContact O-N 3.2Å; L717-E719 VanDerWaalsContact C-N 3.34Å; L717-R721 WeakPolarHBondContact O-CA 3.21Å; L717-R721 PolarHBondContact O-N 2.82Å; L717-P722 HydrophobicContact CD2-CG 4.22Å; L717-P722 WeakPolarHBondContact O-CD 3.48Å; L717-L756 HydrophobicContact CD1-CD2 3.68Å; L717-V759 HydrophobicContact CB-CB 4.04Å; L717-V759 HydrophobicContact CB-CG1 4.15Å; L717-V759 HydrophobicContact CB-CG2 3.81Å; L717-V759 HydrophobicContact CD1-CG2 3.81Å; L717-V759 HydrophobicContact CG-CG2 4.42Å
718	Y	98.6	Very high	98.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63	-39.3	169.9	-89	-75.7	0	0	0	112.5	L286 H290 H331 K335 L376 M379 I714 P715 I716 R721 V759 L762	L286-Y718 HydrophobicContact CD1-CD1 3.63Å; L286-Y718 HydrophobicContact CD1-CD2 4.47Å; L286-Y718 HydrophobicContact CD1-CE1 3.6Å; L286-Y718 HydrophobicContact CD1-CE2 4.45Å; L286-Y718 HydrophobicContact CD1-CG 4.09Å; L286-Y718 HydrophobicContact CD2-CE1 4.03Å; L286-Y718 HydrophobicContact CD2-CE2 4.05Å; L286-Y718 HydrophobicContact CG-CE1 4.5Å; H290-Y718 AromaticContact CE1-CD2 3.58Å; H290-Y718 AromaticContact CE1-CE2 3.6Å; H290-Y718 AromaticContact NE2-CE2 3.71Å; H331-Y718 AromaticContact ND1-CE1 3.87Å; H331-Y718 AromaticContact ND1-CZ 3.87Å; H331-Y718 PolarHBondContact ND1-OH 3.24Å; K335-Y718 WeakPolarHBondContact CE-OH 3.33Å; K335-Y718 PolarHBondContact NZ-OH 3.19Å; L376-Y718 HydrophobicContact CD1-CD1 4.33Å; L376-Y718 HydrophobicContact CD1-CE1 3.85Å; M379-Y718 WeakPolarHBondContact CG-O 3.25Å; M379-Y718 HydrophobicContact SD-CD1 4.38Å; I714-Y718 HydrophobicContact CG2-CD2 3.71Å; I714-Y718 HydrophobicContact CG2-CE2 3.54Å; I714-Y718 VanDerWaalsContact O-CD2 3.31Å; I714-Y718 WeakPolarHBondContact O-CD2 3.46Å; I714-Y718 PolarHBondContact O-N 3.32Å; P715-Y718 PolarHBondContact O-N 3.16Å; I716-Y718 VanDerWaalsContact C-N 3.33Å; I716-Y718 PolarHBondContact O-N 3.43Å; Y718-R721 WeakPolarHBondContact O-CG 3.32Å; Y718-V759 HydrophobicContact CD1-CG1 4.29Å; Y718-V759 HydrophobicContact CD2-CG1 3.6Å; Y718-V759 HydrophobicContact CE1-CG1 4.26Å; Y718-V759 HydrophobicContact CE2-CG1 3.54Å; Y718-V759 HydrophobicContact CG-CG1 3.99Å; Y718-L762 HydrophobicContact CD1-CD1 3.76Å; Y718-L762 HydrophobicContact CD1-CD2 4.06Å; Y718-L762 HydrophobicContact CE1-CD1 4.25Å; Y718-L762 HydrophobicContact CE1-CD2 3.98Å; Y718-L762 HydrophobicContact CG-CD1 4.26Å
719	E	98.2	Very high	98.4	Very high	40 Å²	40	4.6 Å²	4.6	19%	0.187	2%	0.021	C	C	.	.	H	α-helix	trans	-74.3	-43.6	177.7	-169.7	166.4	178	0	0	112.1	P715 I716 L717 W858 N859 M860	P715-E719 PolarHBondContact O-N 3.39Å; I716-E719 PolarHBondContact O-N 3.32Å; I716-E719 VanDerWaalsContact O-N 3.17Å; L717-E719 VanDerWaalsContact C-N 3.34Å; E719-W858 HydrophobicContact CB-CE3 4.11Å; E719-W858 HydrophobicContact CB-CZ3 4.46Å; E719-W858 HydrophobicContact CG-CE3 3.99Å; E719-W858 HydrophobicContact CG-CZ3 4.4Å; E719-W858 WeakPolarHBondContact OE2-CA 3.41Å; E719-N859 VanDerWaalsContact CD-N 3.29Å; E719-N859 WeakPolarHBondContact OE1-CB 3.4Å; E719-N859 PolarHBondContact OE1-N 3.32Å; E719-N859 PolarHBondContact OE1-ND2 2.93Å; E719-N859 PolarHBondContact OE2-N 2.84Å; E719-M860 HydrophobicContact CB-CG 3.83Å; E719-M860 HydrophobicContact CG-CG 4.44Å; E719-M860 WeakPolarHBondContact OE2-CG 3.21Å; E719-M860 PolarHBondContact OE2-N 3.46Å
720	F	98.1	Very high	98.3	Very high	9 Å²	9	4.6 Å²	4.6	4%	0.039	2%	0.021	C	C	.	.	H	α-helix	trans	-71.7	-34.3	-179.1	-179.7	-113.3	0	0	0	113.5	R632 A634 L657 R689 I716 P722 W858	R632-F720 HydrophobicContact CB-CE1 4Å; R632-F720 HydrophobicContact CB-CE2 4.2Å; R632-F720 HydrophobicContact CB-CZ 3.65Å; R632-F720 WeakPolarHBondContact CD-O 3.48Å; R632-F720 HydrophobicContact CG-CE2 4.22Å; R632-F720 HydrophobicContact CG-CZ 4.15Å; R632-F720 PolarHBondContact NE-O 3.26Å; A634-F720 HydrophobicContact CB-CD1 4.33Å; A634-F720 HydrophobicContact CB-CE1 4.19Å; L657-F720 HydrophobicContact CB-CD1 3.75Å; L657-F720 HydrophobicContact CB-CD2 4.19Å; L657-F720 HydrophobicContact CB-CE1 3.52Å; L657-F720 HydrophobicContact CB-CE2 4.01Å; L657-F720 HydrophobicContact CB-CG 4.07Å; L657-F720 HydrophobicContact CB-CZ 3.66Å; L657-F720 HydrophobicContact CD2-CB 3.71Å; L657-F720 HydrophobicContact CD2-CD1 3.5Å; L657-F720 VanDerWaalsContact CD2-CD1 3.5Å; L657-F720 HydrophobicContact CD2-CD2 4.3Å; L657-F720 HydrophobicContact CD2-CE1 4.17Å; L657-F720 HydrophobicContact CD2-CG 3.56Å; L657-F720 HydrophobicContact CG-CD1 4.29Å; L657-F720 HydrophobicContact CG-CG 4.42Å; R689-F720 VanDerWaalsContact NH1-CE2 3.26Å; I716-F720 VanDerWaalsContact O-CB 3.32Å; I716-F720 WeakPolarHBondContact O-CB 3.49Å; I716-F720 PolarHBondContact O-N 3.44Å; F720-P722 HydrophobicContact CD1-CB 4.04Å; F720-P722 HydrophobicContact CD1-CG 4.48Å; F720-P722 HydrophobicContact CE1-CB 4.04Å; F720-W858 HydrophobicContact CB-CH2 4.01Å; F720-W858 HydrophobicContact CB-CZ3 3.88Å; F720-W858 HydrophobicContact CD2-CH2 4.03Å; F720-W858 HydrophobicContact CD2-CZ3 4.47Å; F720-W858 HydrophobicContact CG-CH2 4.35Å
721	R	97.6	Very high	98.4	Very high	25 Å²	25	4.6 Å²	4.6	9%	0.094	2%	0.021	C	C	.	.			trans	53.6	68.1	177.9	-54.9	169.4	59.8	84.4	-6	112.6	L376 D377 R632 L717 Y718 L762 N763	L376-R721 PolarHBondContact O-NH1 3.23Å; L376-R721 PolarHBondContact O-NH2 2.84Å; D377-R721 PolarHBondContact O-NH1 3.12Å; D377-R721 VanDerWaalsContact O-NH1 3.08Å; R632-R721 PolarHBondContact NE-O 3.1Å; R632-R721 VanDerWaalsContact NE-O 3.16Å; R632-R721 PolarHBondContact NH2-O 2.96Å; L717-R721 WeakPolarHBondContact O-CA 3.21Å; L717-R721 PolarHBondContact O-N 2.82Å; Y718-R721 WeakPolarHBondContact O-CG 3.32Å; R721-L762 HydrophobicContact CB-CB 4.2Å; R721-L762 HydrophobicContact CG-CB 4.36Å; R721-L762 VanDerWaalsContact CZ-O 3.24Å; R721-L762 PolarHBondContact NH2-O 2.81Å; R721-N763 HydrophobicContact CB-CB 4.28Å; R721-N763 WeakPolarHBondContact O-CB 3.3Å
722	P	98	Very high	98.3	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.02	C	C	.	.			trans	-63.7	150.9	-179.3	28.5	-35	0	0	0	111.9	A634 L717 F720 I725	A634-P722 HydrophobicContact CB-CB 3.83Å; A634-P722 HydrophobicContact CB-CG 4.18Å; L717-P722 HydrophobicContact CD2-CG 4.22Å; L717-P722 WeakPolarHBondContact O-CD 3.48Å; F720-P722 HydrophobicContact CD1-CB 4.04Å; F720-P722 HydrophobicContact CD1-CG 4.48Å; F720-P722 HydrophobicContact CE1-CB 4.04Å; P722-I725 HydrophobicContact CB-CG1 3.99Å; P722-I725 HydrophobicContact CG-CD1 3.77Å; P722-I725 HydrophobicContact CG-CG1 3.59Å
723	Q	96.5	Very high	98.3	Very high	13 Å²	13	4.5 Å²	4.5	6%	0.061	2%	0.02	C	C	.	.	S	Bend	trans	-88.7	-26.7	168.1	-66.4	164.7	-77.6	0	0	111.4	L630 R632 N763 S765 Y797 G799	L630-Q723 HydrophobicContact CB-CB 4.41Å; L630-Q723 HydrophobicContact CD1-CB 4.27Å; L630-Q723 HydrophobicContact CD2-CB 4.17Å; R632-Q723 PolarHBondContact O-N 3.34Å; Q723-N763 HydrophobicContact CG-CB 4.12Å; Q723-N763 WeakPolarHBondContact CG-ND2 3.44Å; Q723-S765 PolarHBondContact NE2-OG 3.05Å; Q723-Y797 VanDerWaalsContact O-CE1 3.31Å; Q723-Y797 WeakPolarHBondContact O-CE1 3.22Å; Q723-Y797 PolarHBondContact O-OH 3.25Å; Q723-G799 VanDerWaalsContact O-CA 3.29Å; Q723-G799 WeakPolarHBondContact O-CA 3.33Å
724	L	98.1	Very high	98.1	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	136.8	176	176.9	68	0	0	0	108.3	I581 V584 A624 L630 I633 A634 L726 V802	I581-L724 HydrophobicContact CG2-CD2 4.4Å; V584-L724 HydrophobicContact CG1-CD1 4.49Å; A624-L724 HydrophobicContact CB-CD2 3.54Å; L630-L724 HydrophobicContact CD1-CB 3.63Å; L630-L724 HydrophobicContact CD1-CD2 4.15Å; L630-L724 HydrophobicContact CD1-CG 4.49Å; I633-L724 WeakPolarHBondContact CA-O 3.49Å; I633-L724 HydrophobicContact CD1-CD2 4.47Å; I633-L724 HydrophobicContact CG1-CB 4.38Å; I633-L724 HydrophobicContact CG2-CB 4.48Å; A634-L724 PolarHBondContact N-O 3.29Å; L724-L726 HydrophobicContact CD1-CD2 4.29Å; L724-L726 HydrophobicContact CD2-CD2 3.84Å; L724-L726 HydrophobicContact CD2-CG 4.2Å; L724-L726 HydrophobicContact CG-CD2 3.97Å; L724-L726 HydrophobicContact CG-CG 4.28Å; L724-V802 HydrophobicContact CD1-CG2 4.28Å
725	I	98.8	Very high	97.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119	171.8	-54.6	-178.9	0	0	0	107.8	A634 I636 P722 V727 V759 V760 G800 L801 V802	A634-I725 HydrophobicContact CB-CG1 4.37Å; A634-I725 CarbonylContact O-C 3.57Å; A634-I725 WeakPolarHBondContact O-CA 3.28Å; I636-I725 HydrophobicContact CG1-CG2 3.91Å; P722-I725 HydrophobicContact CB-CG1 3.99Å; P722-I725 HydrophobicContact CG-CD1 3.77Å; P722-I725 HydrophobicContact CG-CG1 3.59Å; I725-V727 HydrophobicContact CG2-CG2 4.27Å; I725-V759 HydrophobicContact CD1-CG2 3.81Å; I725-V760 HydrophobicContact CD1-CG2 4.28Å; I725-G800 PolarHBondContact N-O 3.43Å; I725-L801 HydrophobicContact CB-CD1 3.8Å; I725-L801 HydrophobicContact CG2-CD1 3.68Å; I725-L801 WeakPolarHBondContact O-CA 3.39Å; I725-V802 PolarHBondContact O-N 3.05Å
726	L	98.9	Very high	97.2	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.4	169.6	-58.4	-178.9	0	0	0	108.4	I581 V617 A621 I633 A634 I635 I636 L724 V802	I581-L726 HydrophobicContact CD1-CD1 4.32Å; I581-L726 HydrophobicContact CD1-CD2 3.9Å; I581-L726 HydrophobicContact CG1-CD2 4.05Å; V617-L726 HydrophobicContact CG1-CB 3.89Å; V617-L726 HydrophobicContact CG1-CD1 4.07Å; A621-L726 HydrophobicContact CB-CD1 3.93Å; I633-L726 HydrophobicContact CG2-CD1 4.38Å; I633-L726 HydrophobicContact CG2-CG 4.33Å; A634-L726 PolarHBondContact O-N 3.16Å; I635-L726 CarbonylContact C-O 3.56Å; I635-L726 VanDerWaalsContact CA-O 3.26Å; I635-L726 WeakPolarHBondContact CA-O 3.31Å; I635-L726 HydrophobicContact CG1-CB 4.4Å; I636-L726 PolarHBondContact N-O 3.45Å; L724-L726 HydrophobicContact CD1-CD2 4.29Å; L724-L726 HydrophobicContact CD2-CD2 3.84Å; L724-L726 HydrophobicContact CD2-CG 4.2Å; L724-L726 HydrophobicContact CG-CD2 3.97Å; L724-L726 HydrophobicContact CG-CG 4.28Å; L726-V802 CarbonylContact C-O 3.55Å; L726-V802 WeakPolarHBondContact CA-O 3.05Å; L726-V802 HydrophobicContact CD2-CB 3.77Å; L726-V802 HydrophobicContact CD2-CG1 4.28Å; L726-V802 HydrophobicContact CD2-CG2 4.33Å
727	V	98.9	Very high	96.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.1	177.2	-174.2	0	0	0	0	109	I636 W638 I725 A729 L756 L801 V802 L803 A804	I636-V727 HydrophobicContact CB-CG2 4.42Å; I636-V727 CarbonylContact O-C 3.54Å; I636-V727 WeakPolarHBondContact O-CA 3.43Å; I636-V727 WeakPolarHBondContact O-CG1 3.47Å; W638-V727 HydrophobicContact CD2-CG1 3.75Å; W638-V727 HydrophobicContact CE3-CG1 3.88Å; W638-V727 HydrophobicContact CG-CG1 4.46Å; W638-V727 HydrophobicContact CH2-CG1 3.82Å; W638-V727 HydrophobicContact CZ2-CG1 3.68Å; W638-V727 HydrophobicContact CZ3-CG1 3.92Å; I725-V727 HydrophobicContact CG2-CG2 4.27Å; V727-A729 VanDerWaalsContact C-N 3.3Å; V727-A729 HydrophobicContact CG1-CB 4.14Å; V727-A729 PolarHBondContact O-N 2.9Å; V727-A729 VanDerWaalsContact O-N 3.07Å; V727-L756 HydrophobicContact CG2-CD1 3.68Å; V727-L801 HydrophobicContact CG2-CD1 3.67Å; V727-V802 PolarHBondContact N-O 3.05Å; V727-L803 HydrophobicContact CB-CD1 4.26Å; V727-L803 HydrophobicContact CB-CG 3.97Å; V727-L803 HydrophobicContact CG1-CG 4.39Å; V727-L803 HydrophobicContact CG2-CD1 4.02Å; V727-L803 HydrophobicContact CG2-CG 4.25Å; V727-A804 PolarHBondContact O-N 3.2Å
728	S	98.8	Very high	96.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	90.7	163.1	-82.6	0	0	0	0	107.1	V617 I636 D637 W638 G730	V617-S728 WeakPolarHBondContact CG2-OG 3.3Å; I636-S728 PolarHBondContact O-N 2.89Å; D637-S728 WeakPolarHBondContact OD1-CB 3.4Å; W638-S728 PolarHBondContact N-O 3.19Å; S728-G730 PolarHBondContact O-N 3.38Å; S728-G730 VanDerWaalsContact O-N 3.13Å
729	A	98.6	Very high	96.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	75.5	-167.2	0	0	0	0	0	111.2	W638 V727 F731 L803 A804 E806	W638-A729 HydrophobicContact CZ2-CB 4.1Å; W638-A729 VanDerWaalsContact NE1-CA 3.33Å; V727-A729 VanDerWaalsContact C-N 3.3Å; V727-A729 HydrophobicContact CG1-CB 4.14Å; V727-A729 PolarHBondContact O-N 2.9Å; V727-A729 VanDerWaalsContact O-N 3.07Å; A729-F731 HydrophobicContact CB-CE2 4.05Å; A729-F731 HydrophobicContact CB-CZ 4.03Å; A729-F731 WeakPolarHBondContact O-CD2 3.36Å; A729-F731 VanDerWaalsContact O-CE2 3.31Å; A729-F731 WeakPolarHBondContact O-CE2 3.43Å; A729-L803 HydrophobicContact CB-CB 4.19Å; A729-L803 HydrophobicContact CB-CG 4.4Å; A729-A804 WeakPolarHBondContact CA-O 3.45Å; A729-A804 WeakPolarHBondContact CB-O 3.42Å; A729-A804 PolarHBondContact N-O 2.95Å; A729-E806 PolarHBondContact O-N 2.95Å; A729-E806 VanDerWaalsContact O-N 3.09Å
730	G	98.1	Very high	95.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.			trans	-83.5	135.7	169.4	0	0	0	0	0	112.2	W638 D639 S728	W638-G730 PolarHBondContact NE1-O 2.84Å; D639-G730 VanDerWaalsContact OD2-CA 3.23Å; D639-G730 WeakPolarHBondContact OD2-CA 3.34Å; S728-G730 PolarHBondContact O-N 3.38Å; S728-G730 VanDerWaalsContact O-N 3.13Å
731	F	98.4	Very high	95.7	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	13%	0.133	C	C	.	.			trans	-116.8	21.7	-178.2	-58.6	-76.7	0	0	0	112.9	M593 W638 A729 A733 A734 F749 L805 G807 L814 C817 V818	M593-F731 HydrophobicContact CE-CE2 4.47Å; W638-F731 HydrophobicContact CZ2-CE1 4.41Å; A729-F731 HydrophobicContact CB-CE2 4.05Å; A729-F731 HydrophobicContact CB-CZ 4.03Å; A729-F731 WeakPolarHBondContact O-CD2 3.36Å; A729-F731 VanDerWaalsContact O-CE2 3.31Å; A729-F731 WeakPolarHBondContact O-CE2 3.43Å; F731-A733 VanDerWaalsContact C-N 3.34Å; F731-A734 WeakPolarHBondContact O-CB 3.5Å; F731-A734 PolarHBondContact O-N 2.8Å; F731-F749 HydrophobicContact CD1-CB 4.42Å; F731-F749 AromaticContact CD1-CD1 3.65Å; F731-F749 HydrophobicContact CD1-CD1 3.65Å; F731-F749 HydrophobicContact CD1-CD2 4.07Å; F731-F749 AromaticContact CD1-CE1 3.8Å; F731-F749 HydrophobicContact CD1-CE1 3.8Å; F731-F749 HydrophobicContact CD1-CE2 4.21Å; F731-F749 AromaticContact CD1-CG 3.79Å; F731-F749 HydrophobicContact CD1-CG 3.79Å; F731-F749 HydrophobicContact CD1-CZ 4.08Å; F731-F749 HydrophobicContact CE1-CB 4.03Å; F731-F749 AromaticContact CE1-CD1 3.74Å; F731-F749 HydrophobicContact CE1-CD1 3.74Å; F731-F749 HydrophobicContact CE1-CE1 4.31Å; F731-F749 AromaticContact CE1-CG 3.85Å; F731-F749 HydrophobicContact CE1-CG 3.85Å; F731-L805 HydrophobicContact CD2-CD1 3.69Å; F731-L805 HydrophobicContact CE2-CD1 3.8Å; F731-G807 PolarHBondContact N-O 2.93Å; F731-G807 VanDerWaalsContact N-O 3.07Å; F731-L814 HydrophobicContact CB-CD1 3.86Å; F731-L814 HydrophobicContact CD2-CD1 3.49Å; F731-L814 VanDerWaalsContact CD2-CD1 3.49Å; F731-L814 HydrophobicContact CE2-CD1 4.42Å; F731-L814 HydrophobicContact CG-CD1 4.05Å; F731-C817 HydrophobicContact CB-CB 4.09Å; F731-C817 HydrophobicContact CD1-CB 3.11Å; F731-C817 HydrophobicContact CD2-CB 4.47Å; F731-C817 HydrophobicContact CE1-CB 3.48Å; F731-C817 VanDerWaalsContact CE1-CB 3.48Å; F731-C817 HydrophobicContact CG-CB 3.65Å; F731-C817 HydrophobicContact CZ-CB 4.3Å; F731-V818 HydrophobicContact CD2-CG2 3.93Å; F731-V818 HydrophobicContact CE2-CG2 3.39Å; F731-V818 HydrophobicContact CZ-CG2 3.93Å
732	D	97.2	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-6.8	176.7	45.4	10.7	0	0	0	113.8	V640 H641 A734 D737 G740 Y809	V640-D732 WeakPolarHBondContact CB-OD1 3.31Å; V640-D732 HydrophobicContact CG1-CB 3.89Å; V640-D732 WeakPolarHBondContact CG1-OD1 3.41Å; V640-D732 PolarHBondContact N-OD1 3.42Å; H641-D732 IonicContact CE1-OD2 3.41Å; H641-D732 PolarHBondContact CE1-OD2 2.95Å; H641-D732 IonicContact ND1-OD2 3.82Å; H641-D732 PolarHBondContact ND1-OD2 3.1Å; D732-A734 PolarHBondContact O-N 3.16Å; D732-D737 HydrophobicContact CB-CB 4.46Å; D732-D737 VanDerWaalsContact O-CB 3.26Å; D732-D737 WeakPolarHBondContact O-CB 3.26Å; D732-G740 VanDerWaalsContact O-CA 3.29Å; D732-G740 WeakPolarHBondContact O-CA 3.39Å; D732-Y809 HydrophobicContact CB-CD2 3.97Å; D732-Y809 HydrophobicContact CB-CE2 4.13Å; D732-Y809 WeakPolarHBondContact OD2-CE2 3.5Å
733	A	96.7	Very high	95.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13	160.7	0	0	0	0	0	112.5	V640 Y705 F731 L742 V744 F749	V640-A733 HydrophobicContact CB-CB 4.11Å; V640-A733 HydrophobicContact CG2-CB 4.29Å; Y705-A733 HydrophobicContact CE2-CB 4.35Å; Y705-A733 WeakPolarHBondContact OH-CB 3.26Å; F731-A733 VanDerWaalsContact C-N 3.34Å; A733-L742 HydrophobicContact CB-CD1 4.08Å; A733-L742 WeakPolarHBondContact O-CB 3.23Å; A733-V744 HydrophobicContact CB-CB 4.42Å; A733-V744 HydrophobicContact CB-CG2 4.02Å; A733-V744 WeakPolarHBondContact O-CB 3.1Å; A733-V744 PolarHBondContact O-N 3.27Å; A733-F749 HydrophobicContact CB-CZ 4.32Å
734	A	94.8	Very high	95	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-66.2	146.5	-176.5	0	0	0	0	0	112.8	F731 D732 G736 D737 V744 F749 A813	F731-A734 WeakPolarHBondContact O-CB 3.5Å; F731-A734 PolarHBondContact O-N 2.8Å; D732-A734 PolarHBondContact O-N 3.16Å; A734-G736 PolarHBondContact O-N 2.95Å; A734-D737 WeakPolarHBondContact O-CB 3.32Å; A734-D737 PolarHBondContact O-N 3.23Å; A734-V744 CarbonylContact C-O 3.57Å; A734-V744 WeakPolarHBondContact CA-O 3.22Å; A734-F749 HydrophobicContact CB-CE2 4.16Å; A734-A813 HydrophobicContact CB-CB 4.08Å
735	H	90.2	Very high	94.9	Very high	124 Å²	124	27.8 Å²	27.8	57%	0.574	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	127.2	179.9	179.2	76.7	0	0	0	111.7	V744	H735-V744 PolarHBondContact N-O 3.44Å
736	G	88.9	Confident	94.7	Very high	42 Å²	42	28.5 Å²	28.5	43%	0.433	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.4	-4.6	-179.7	0	0	0	0	0	114.7	A734 K738	A734-G736 PolarHBondContact O-N 2.95Å; G736-K738 PolarHBondContact O-N 3.05Å
737	D	93.3	Very high	94.5	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.027	15%	0.154	C	C	.	.			trans	-67.2	129.1	169.8	-161.7	-67.6	0	0	0	111.6	D732 A734 L739 G740 R741 Y809 Q810	D732-D737 HydrophobicContact CB-CB 4.46Å; D732-D737 VanDerWaalsContact O-CB 3.26Å; D732-D737 WeakPolarHBondContact O-CB 3.26Å; A734-D737 WeakPolarHBondContact O-CB 3.32Å; A734-D737 PolarHBondContact O-N 3.23Å; D737-L739 WeakPolarHBondContact OD1-CB 3.38Å; D737-L739 PolarHBondContact OD1-N 3.19Å; D737-G740 PolarHBondContact OD1-N 3.46Å; D737-R741 WeakPolarHBondContact O-CA 3.46Å; D737-R741 PolarHBondContact O-N 2.82Å; D737-R741 VanDerWaalsContact O-N 3.14Å; D737-Y809 WeakPolarHBondContact OD2-CA 3.48Å; D737-Y809 PolarHBondContact OD2-N 3.16Å; D737-Q810 HydrophobicContact CB-CB 4.31Å; D737-Q810 PolarHBondContact OD2-N 2.89Å
738	K	90.3	Very high	94.4	Very high	176 Å²	176	30.4 Å²	30.4	77%	0.765	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-20.5	-173.5	-66.6	-178.9	-179.4	175.5	0	113.2	G736 R741	G736-K738 PolarHBondContact O-N 3.05Å; K738-R741 VanDerWaalsContact O-CG 3.3Å; K738-R741 WeakPolarHBondContact O-CG 3.14Å; K738-R741 PolarHBondContact O-NE 3.17Å
739	L	92.1	Very high	94.4	Very high	57 Å²	57	30.4 Å²	30.4	30%	0.298	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-60.5	178.6	-76.2	154.4	0	0	0	109	P492 Y669 D737 Y809	P492-L739 HydrophobicContact CB-CD1 3.54Å; P492-L739 HydrophobicContact CG-CD1 3.93Å; Y669-L739 VanDerWaalsContact OH-C 3.31Å; Y669-L739 PolarHBondContact OH-O 3.33Å; D737-L739 WeakPolarHBondContact OD1-CB 3.38Å; D737-L739 PolarHBondContact OD1-N 3.19Å; L739-Y809 HydrophobicContact CB-CD2 4.17Å; L739-Y809 HydrophobicContact CD1-CD1 4.28Å; L739-Y809 HydrophobicContact CD1-CD2 3.15Å; L739-Y809 HydrophobicContact CD1-CE2 3.6Å; L739-Y809 HydrophobicContact CD1-CG 3.52Å; L739-Y809 HydrophobicContact CG-CD2 4.25Å
740	G	92.4	Very high	94.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-44.6	-179.5	0	0	0	0	0	114.4	R663 Y669 D732 D737 L742	R663-G740 PolarHBondContact NH1-O 2.79Å; Y669-G740 VanDerWaalsContact OH-CA 3.31Å; Y669-G740 WeakPolarHBondContact OH-CA 3.23Å; D732-G740 VanDerWaalsContact O-CA 3.29Å; D732-G740 WeakPolarHBondContact O-CA 3.39Å; D737-G740 PolarHBondContact OD1-N 3.46Å; G740-L742 VanDerWaalsContact C-N 3.28Å; G740-L742 PolarHBondContact O-N 3.4Å
741	R	92	Very high	94.4	Very high	138 Å²	138	30.6 Å²	30.6	52%	0.521	16%	0.155	S	C	.	.			trans	53.4	41.6	-179.3	-54.6	-175.7	-174.5	-175.9	2.6	113.6	D737 K738	D737-R741 WeakPolarHBondContact O-CA 3.46Å; D737-R741 PolarHBondContact O-N 2.82Å; D737-R741 VanDerWaalsContact O-N 3.14Å; K738-R741 VanDerWaalsContact O-CG 3.3Å; K738-R741 WeakPolarHBondContact O-CG 3.14Å; K738-R741 PolarHBondContact O-NE 3.17Å
742	L	93	Very high	94.4	Very high	9 Å²	9	30.6 Å²	30.6	5%	0.047	16%	0.155	C	C	.	.			trans	-103.9	-175.5	169.8	-57.5	-171.8	0	0	0	110.4	V640 V700 Y705 A733 G740	V640-L742 HydrophobicContact CG2-CD1 3.47Å; V640-L742 VanDerWaalsContact CG2-CD1 3.47Å; V640-L742 HydrophobicContact CG2-CG 3.92Å; V700-L742 HydrophobicContact CB-CD1 4.05Å; V700-L742 HydrophobicContact CB-CD2 4.04Å; V700-L742 HydrophobicContact CB-CG 4.47Å; V700-L742 HydrophobicContact CG1-CD1 4.19Å; V700-L742 HydrophobicContact CG2-CD2 4.29Å; Y705-L742 HydrophobicContact CE2-CD1 4.48Å; A733-L742 HydrophobicContact CB-CD1 4.08Å; A733-L742 WeakPolarHBondContact O-CB 3.23Å; G740-L742 VanDerWaalsContact C-N 3.28Å; G740-L742 PolarHBondContact O-N 3.4Å
743	G	91	Very high	94.5	Very high	21 Å²	21	30.6 Å²	30.6	22%	0.216	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-121.8	27.7	-175.2	0	0	0	0	0	114.8	V700	V700-G743 PolarHBondContact O-N 3.3Å
744	V	95.2	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-76.3	135.7	-179.2	-173.1	0	0	0	0	110.4	D702 Y705 A733 A734 H735 C748 F749	D702-V744 WeakPolarHBondContact OD1-CA 3.21Å; Y705-V744 HydrophobicContact CD2-CG2 3.55Å; Y705-V744 HydrophobicContact CE2-CG2 3.53Å; Y705-V744 HydrophobicContact CG-CG2 4.39Å; A733-V744 HydrophobicContact CB-CB 4.42Å; A733-V744 HydrophobicContact CB-CG2 4.02Å; A733-V744 WeakPolarHBondContact O-CB 3.1Å; A733-V744 PolarHBondContact O-N 3.27Å; A734-V744 CarbonylContact C-O 3.57Å; A734-V744 WeakPolarHBondContact CA-O 3.22Å; H735-V744 PolarHBondContact N-O 3.44Å; V744-C748 HydrophobicContact CG1-CB 3.59Å; V744-F749 HydrophobicContact CB-CE2 4.31Å; V744-F749 HydrophobicContact CB-CZ 4.47Å; V744-F749 HydrophobicContact CG1-CD2 4.34Å; V744-F749 HydrophobicContact CG1-CE2 3.71Å; V744-F749 HydrophobicContact CG1-CZ 3.98Å
745	S	94.7	Very high	94.7	Very high	8 Å²	8	31.3 Å²	31.3	6%	0.056	16%	0.159	C	C	.	.			trans	-85.2	154.7	-179.7	97.9	0	0	0	0	111.5	D702 E747 C748 F749	D702-S745 WeakPolarHBondContact OD1-CB 3.37Å; D702-S745 PolarHBondContact OD1-N 3.18Å; D702-S745 WeakPolarHBondContact OD2-CB 3.4Å; D702-S745 PolarHBondContact OD2-OG 3.47Å; S745-E747 WeakPolarHBondContact CB-OE2 3.2Å; S745-E747 PolarHBondContact O-N 2.81Å; S745-E747 WeakPolarHBondContact OG-CB 3.45Å; S745-E747 PolarHBondContact OG-N 3Å; S745-E747 PolarHBondContact OG-OE2 3.09Å; S745-C748 VanDerWaalsContact O-CB 3.32Å; S745-C748 WeakPolarHBondContact O-CB 3.35Å; S745-C748 PolarHBondContact O-N 2.89Å; S745-C748 VanDerWaalsContact O-N 3.15Å; S745-C748 PolarHBondContact OG-N 2.93Å; S745-F749 WeakPolarHBondContact O-CD2 3.38Å
746	P	95	Very high	95.1	Very high	15 Å²	15	25.4 Å²	25.4	10%	0.097	13%	0.131	C	C	.	.	H	α-helix	trans	-56.9	-34	171.5	-26.8	36.4	0	0	0	114.1	C748 F749 Q816 C817	P746-C748 VanDerWaalsContact C-N 3.32Å; P746-C748 PolarHBondContact O-N 3.08Å; P746-F749 PolarHBondContact O-N 2.86Å; P746-Q816 HydrophobicContact CB-CB 3.8Å; P746-Q816 HydrophobicContact CG-CB 3.97Å; P746-C817 VanDerWaalsContact CA-SG 3.58Å
747	E	95.4	Very high	95.5	Very high	43 Å²	43	24.8 Å²	24.8	20%	0.201	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-39.9	176.1	-60	81.1	-175	0	0	111.3	S745 F749 A750 H751 P831 L833	S745-E747 WeakPolarHBondContact CB-OE2 3.2Å; S745-E747 PolarHBondContact O-N 2.81Å; S745-E747 WeakPolarHBondContact OG-CB 3.45Å; S745-E747 PolarHBondContact OG-N 3Å; S745-E747 PolarHBondContact OG-OE2 3.09Å; E747-F749 PolarHBondContact O-N 2.87Å; E747-A750 WeakPolarHBondContact O-CB 3.49Å; E747-A750 PolarHBondContact O-N 2.88Å; E747-H751 PolarHBondContact O-CD2 2.94Å; E747-H751 VanDerWaalsContact O-CD2 3.32Å; E747-H751 PolarHBondContact O-N 2.96Å; E747-P831 HydrophobicContact CB-CB 4.3Å; E747-P831 HydrophobicContact CB-CG 3.67Å; E747-P831 HydrophobicContact CG-CB 3.81Å; E747-P831 HydrophobicContact CG-CG 3.57Å; E747-L833 HydrophobicContact CB-CD2 4.33Å
748	C	97.1	Very high	95.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-53.6	-40.2	178.1	-171.9	0	0	0	0	112.2	D702 V744 S745 P746 A750 H751 L752 L833	D702-C748 HydrophobicContact CB-CB 4.25Å; V744-C748 HydrophobicContact CG1-CB 3.59Å; S745-C748 VanDerWaalsContact O-CB 3.32Å; S745-C748 WeakPolarHBondContact O-CB 3.35Å; S745-C748 PolarHBondContact O-N 2.89Å; S745-C748 VanDerWaalsContact O-N 3.15Å; S745-C748 PolarHBondContact OG-N 2.93Å; P746-C748 VanDerWaalsContact C-N 3.32Å; P746-C748 PolarHBondContact O-N 3.08Å; C748-A750 VanDerWaalsContact C-N 3.32Å; C748-A750 PolarHBondContact O-N 2.74Å; C748-H751 WeakPolarHBondContact O-CA 3.38Å; C748-H751 WeakPolarHBondContact O-CB 3.38Å; C748-H751 PolarHBondContact O-N 2.72Å; C748-L752 WeakPolarHBondContact O-CG 3.33Å; C748-L752 PolarHBondContact O-N 3.33Å; C748-L833 HydrophobicContact CB-CD2 4.11Å
749	F	98.2	Very high	96	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-69.1	-25.2	179.7	-64.2	-84.1	0	0	0	114	W638 F731 A733 A734 V744 S745 P746 E747 L752 T753 C817	W638-F749 HydrophobicContact CD2-CD1 4.48Å; W638-F749 HydrophobicContact CZ2-CD1 4.42Å; W638-F749 AromaticContact NE1-CD1 3.93Å; F731-F749 HydrophobicContact CD1-CB 4.42Å; F731-F749 AromaticContact CD1-CD1 3.65Å; F731-F749 HydrophobicContact CD1-CD1 3.65Å; F731-F749 HydrophobicContact CD1-CD2 4.07Å; F731-F749 AromaticContact CD1-CE1 3.8Å; F731-F749 HydrophobicContact CD1-CE1 3.8Å; F731-F749 HydrophobicContact CD1-CE2 4.21Å; F731-F749 AromaticContact CD1-CG 3.79Å; F731-F749 HydrophobicContact CD1-CG 3.79Å; F731-F749 HydrophobicContact CD1-CZ 4.08Å; F731-F749 HydrophobicContact CE1-CB 4.03Å; F731-F749 AromaticContact CE1-CD1 3.74Å; F731-F749 HydrophobicContact CE1-CD1 3.74Å; F731-F749 HydrophobicContact CE1-CE1 4.31Å; F731-F749 AromaticContact CE1-CG 3.85Å; F731-F749 HydrophobicContact CE1-CG 3.85Å; A733-F749 HydrophobicContact CB-CZ 4.32Å; A734-F749 HydrophobicContact CB-CE2 4.16Å; V744-F749 HydrophobicContact CB-CE2 4.31Å; V744-F749 HydrophobicContact CB-CZ 4.47Å; V744-F749 HydrophobicContact CG1-CD2 4.34Å; V744-F749 HydrophobicContact CG1-CE2 3.71Å; V744-F749 HydrophobicContact CG1-CZ 3.98Å; S745-F749 WeakPolarHBondContact O-CD2 3.38Å; P746-F749 PolarHBondContact O-N 2.86Å; E747-F749 PolarHBondContact O-N 2.87Å; F749-L752 HydrophobicContact CD1-CD1 4.17Å; F749-T753 WeakPolarHBondContact O-CB 3.39Å; F749-T753 PolarHBondContact O-N 3.34Å; F749-T753 VanDerWaalsContact O-N 3.09Å; F749-T753 PolarHBondContact O-OG1 3.48Å; F749-C817 HydrophobicContact CB-CB 4.44Å; F749-C817 HydrophobicContact CD2-CB 3.95Å; F749-C817 VanDerWaalsContact CD2-SG 3.54Å; F749-C817 HydrophobicContact CG-CB 4.3Å
750	A	97.8	Very high	96.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.1	-46.8	165.6	0	0	0	0	0	110.7	E747 C748 L752 T753 H754 H820 T824 P831	E747-A750 WeakPolarHBondContact O-CB 3.49Å; E747-A750 PolarHBondContact O-N 2.88Å; C748-A750 VanDerWaalsContact C-N 3.32Å; C748-A750 PolarHBondContact O-N 2.74Å; A750-L752 PolarHBondContact O-N 3.36Å; A750-T753 WeakPolarHBondContact O-CB 3.39Å; A750-T753 PolarHBondContact O-N 3.48Å; A750-T753 VanDerWaalsContact O-N 3.16Å; A750-H754 WeakPolarHBondContact O-CB 3.33Å; A750-H754 PolarHBondContact O-N 2.88Å; A750-H820 HydrophobicContact CB-CB 3.92Å; A750-T824 WeakPolarHBondContact CA-OG1 3.43Å; A750-T824 VanDerWaalsContact CB-OG1 3.22Å; A750-T824 WeakPolarHBondContact CB-OG1 3.45Å; A750-P831 HydrophobicContact CB-CG 4.4Å
751	H	98.3	Very high	96.3	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.019	7%	0.067	C	C	.	.	H	α-helix	trans	-61.6	-41.2	177.3	-72.2	-89	0	0	0	112.6	Y298 A338 I706 E747 C748 T753 H754 L755 C830 P831 L833	Y298-H751 HydrophobicContact CE1-CB 4.4Å; Y298-H751 AromaticContact CE1-ND1 3.43Å; Y298-H751 WeakPolarHBondContact CE1-ND1 3.34Å; Y298-H751 AromaticContact CZ-ND1 3.98Å; A338-H751 PolarHBondContact O-CE1 3.39Å; A338-H751 VanDerWaalsContact O-CE1 3.25Å; I706-H751 HydrophobicContact CD1-CB 3.7Å; E747-H751 PolarHBondContact O-CD2 2.94Å; E747-H751 VanDerWaalsContact O-CD2 3.32Å; E747-H751 PolarHBondContact O-N 2.96Å; C748-H751 WeakPolarHBondContact O-CA 3.38Å; C748-H751 WeakPolarHBondContact O-CB 3.38Å; C748-H751 PolarHBondContact O-N 2.72Å; H751-T753 VanDerWaalsContact C-N 3.31Å; H751-T753 PolarHBondContact O-N 3.31Å; H751-H754 PolarHBondContact O-N 3.28Å; H751-L755 WeakPolarHBondContact O-CB 3.47Å; H751-L755 VanDerWaalsContact O-CG 3.28Å; H751-L755 WeakPolarHBondContact O-CG 3.32Å; H751-L755 PolarHBondContact O-N 3.2Å; H751-C830 VanDerWaalsContact CE1-CB 3.44Å; H751-C830 WeakPolarHBondContact CE1-CB 3.23Å; H751-P831 PolarHBondContact NE2-O 3Å; H751-L833 WeakPolarHBondContact CD2-CD2 3.43Å
752	L	98.7	Very high	96.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61	-43	175	-56.2	-170.8	0	0	0	111.4	W638 Y705 I706 F709 C748 F749 A750 L755 L756	W638-L752 HydrophobicContact CD2-CD1 4.26Å; W638-L752 HydrophobicContact CE3-CB 3.9Å; W638-L752 HydrophobicContact CE3-CD1 3.84Å; W638-L752 HydrophobicContact CH2-CB 4.3Å; W638-L752 HydrophobicContact CZ3-CB 3.55Å; W638-L752 HydrophobicContact CZ3-CD1 4.32Å; Y705-L752 HydrophobicContact CD1-CD1 3.79Å; I706-L752 HydrophobicContact CD1-CD2 4.23Å; F709-L752 HydrophobicContact CB-CD2 4.24Å; F709-L752 HydrophobicContact CD1-CB 4.38Å; F709-L752 HydrophobicContact CD1-CD2 4.01Å; F709-L752 HydrophobicContact CD2-CD1 4.43Å; F709-L752 HydrophobicContact CD2-CD2 3.54Å; F709-L752 HydrophobicContact CD2-CG 4.47Å; F709-L752 HydrophobicContact CE1-CB 4.06Å; F709-L752 HydrophobicContact CE1-CD2 4.28Å; F709-L752 HydrophobicContact CE2-CD1 3.88Å; F709-L752 HydrophobicContact CE2-CD2 3.83Å; F709-L752 HydrophobicContact CE2-CG 4.29Å; F709-L752 HydrophobicContact CG-CD2 3.65Å; F709-L752 HydrophobicContact CZ-CB 4.2Å; F709-L752 HydrophobicContact CZ-CD1 4.07Å; F709-L752 HydrophobicContact CZ-CD2 4.22Å; F709-L752 HydrophobicContact CZ-CG 4.37Å; C748-L752 WeakPolarHBondContact O-CG 3.33Å; C748-L752 PolarHBondContact O-N 3.33Å; F749-L752 HydrophobicContact CD1-CD1 4.17Å; A750-L752 PolarHBondContact O-N 3.36Å; L752-L755 PolarHBondContact O-N 2.79Å; L752-L756 WeakPolarHBondContact O-CG 3.41Å; L752-L756 PolarHBondContact O-N 3.47Å
753	T	98.7	Very high	96.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.6	-45.7	176.4	-54.6	0	0	0	0	110.6	F749 A750 H751 L755 L756 M757 L801 C821 T824 L825	F749-T753 WeakPolarHBondContact O-CB 3.39Å; F749-T753 PolarHBondContact O-N 3.34Å; F749-T753 VanDerWaalsContact O-N 3.09Å; F749-T753 PolarHBondContact O-OG1 3.48Å; A750-T753 WeakPolarHBondContact O-CB 3.39Å; A750-T753 PolarHBondContact O-N 3.48Å; A750-T753 VanDerWaalsContact O-N 3.16Å; H751-T753 VanDerWaalsContact C-N 3.31Å; H751-T753 PolarHBondContact O-N 3.31Å; T753-L755 PolarHBondContact O-N 3.42Å; T753-L756 PolarHBondContact O-N 3.13Å; T753-M757 WeakPolarHBondContact O-CG 3.42Å; T753-M757 PolarHBondContact O-N 2.89Å; T753-M757 VanDerWaalsContact O-N 3.07Å; T753-L801 HydrophobicContact CG2-CD2 4.37Å; T753-C821 PolarHBondContact OG1-SG 2.83Å; T753-T824 HydrophobicContact CG2-CG2 3.95Å; T753-L825 HydrophobicContact CG2-CD2 3.73Å; T753-L825 HydrophobicContact CG2-CG 4.01Å
754	H	98.3	Very high	96.2	Very high	15 Å²	15	10.1 Å²	10.1	7%	0.069	6%	0.056	C	C	.	.	H	α-helix	trans	-62.2	-40	178.2	-178.3	86.4	0	0	0	112.8	H334 A750 H751 M757 T824 C830	H334-H754 AromaticContact CD2-CE1 3.66Å; H334-H754 AromaticContact CD2-NE2 3.44Å; H334-H754 PolarHBondContact CD2-NE2 3.37Å; H334-H754 AromaticContact CE1-CE1 3.64Å; H334-H754 AromaticContact CE1-ND1 3.99Å; H334-H754 AromaticContact NE2-CD2 3.84Å; H334-H754 AromaticContact NE2-CE1 3.25Å; H334-H754 PolarHBondContact NE2-CE1 3.24Å; H334-H754 VanDerWaalsContact NE2-CE1 3.25Å; H334-H754 AromaticContact NE2-CG 3.95Å; H334-H754 AromaticContact NE2-ND1 3.6Å; H334-H754 AromaticContact NE2-NE2 3.4Å; H334-H754 PolarHBondContact NE2-NE2 2.87Å; H334-H754 PolarHBondContact NE2-O 3.13Å; H334-H754 PolarHBondContact O-CE1 3.13Å; H334-H754 PolarHBondContact O-NE2 2.76Å; A750-H754 WeakPolarHBondContact O-CB 3.33Å; A750-H754 PolarHBondContact O-N 2.88Å; H751-H754 PolarHBondContact O-N 3.28Å; H754-M757 WeakPolarHBondContact O-CB 3.45Å; H754-M757 PolarHBondContact O-N 2.94Å; H754-T824 HydrophobicContact CB-CG2 3.84Å; H754-C830 WeakPolarHBondContact CB-SG 3.35Å
755	L	98.6	Very high	95.4	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.061	C	C	.	.	H	α-helix	trans	-63.8	-44.7	175.1	-73.6	171.2	0	0	0	111	F709 T710 I714 H751 L752 T753 M757 T758	F709-L755 HydrophobicContact CB-CD1 3.79Å; T710-L755 HydrophobicContact CG2-CD1 4.21Å; T710-L755 HydrophobicContact CG2-CD2 4.37Å; I714-L755 HydrophobicContact CD1-CB 4Å; I714-L755 WeakPolarHBondContact CD1-O 3.38Å; I714-L755 HydrophobicContact CG1-CB 4.07Å; H751-L755 WeakPolarHBondContact O-CB 3.47Å; H751-L755 VanDerWaalsContact O-CG 3.28Å; H751-L755 WeakPolarHBondContact O-CG 3.32Å; H751-L755 PolarHBondContact O-N 3.2Å; L752-L755 PolarHBondContact O-N 2.79Å; T753-L755 PolarHBondContact O-N 3.42Å; L755-M757 VanDerWaalsContact C-N 3.27Å; L755-M757 PolarHBondContact O-N 3.33Å; L755-T758 WeakPolarHBondContact O-CB 3.25Å; L755-T758 PolarHBondContact O-N 2.79Å; L755-T758 VanDerWaalsContact O-N 3.1Å; L755-T758 PolarHBondContact O-OG1 3.41Å
756	L	98.7	Very high	94.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-60.7	-35.9	176.2	-70.5	174.8	0	0	0	112.3	I636 W638 F709 I714 L717 V727 L752 T753 T758 V759 V760 L801	I636-L756 HydrophobicContact CG1-CD2 4.08Å; W638-L756 HydrophobicContact CE3-CD1 4.48Å; W638-L756 HydrophobicContact CH2-CD1 4.44Å; W638-L756 HydrophobicContact CZ3-CD1 3.73Å; F709-L756 HydrophobicContact CE1-CD1 4.43Å; F709-L756 HydrophobicContact CE1-CD2 4.16Å; F709-L756 HydrophobicContact CE1-CG 4.11Å; I714-L756 HydrophobicContact CD1-CD2 4.24Å; L717-L756 HydrophobicContact CD1-CD2 3.68Å; V727-L756 HydrophobicContact CG2-CD1 3.68Å; L752-L756 WeakPolarHBondContact O-CG 3.41Å; L752-L756 PolarHBondContact O-N 3.47Å; T753-L756 PolarHBondContact O-N 3.13Å; L756-T758 PolarHBondContact O-N 3Å; L756-V759 WeakPolarHBondContact O-CG2 3.27Å; L756-V759 PolarHBondContact O-N 3.27Å; L756-V760 WeakPolarHBondContact O-CG2 3.29Å; L756-L801 HydrophobicContact CB-CD1 4.35Å; L756-L801 HydrophobicContact CB-CD2 4.12Å; L756-L801 HydrophobicContact CD1-CD1 4.24Å
757	M	96.9	Very high	92.8	Very high	29 Å²	29	16.2 Å²	16.2	14%	0.143	9%	0.09	C	C	.	.	H	α-helix	trans	-56.7	-22.2	176.3	-68.7	-63.6	-68.5	0	0	113.4	T753 H754 L755 V759 V760 L801 L825	T753-M757 WeakPolarHBondContact O-CG 3.42Å; T753-M757 PolarHBondContact O-N 2.89Å; T753-M757 VanDerWaalsContact O-N 3.07Å; H754-M757 WeakPolarHBondContact O-CB 3.45Å; H754-M757 PolarHBondContact O-N 2.94Å; L755-M757 VanDerWaalsContact C-N 3.27Å; L755-M757 PolarHBondContact O-N 3.33Å; M757-V759 VanDerWaalsContact C-N 3.26Å; M757-V759 PolarHBondContact O-N 3.05Å; M757-V760 HydrophobicContact SD-CG2 4.24Å; M757-L801 HydrophobicContact CG-CD2 4.26Å; M757-L801 HydrophobicContact SD-CB 4.42Å; M757-L801 HydrophobicContact SD-CD2 3.63Å; M757-L825 HydrophobicContact SD-CD2 4.18Å
758	T	96.6	Very high	90.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.6	177.4	64.7	0	0	0	0	114.9	H331 H334 K335 L755 L756	H331-T758 PolarHBondContact CE1-O 3.14Å; H331-T758 PolarHBondContact ND1-O 2.79Å; H331-T758 VanDerWaalsContact ND1-O 3.15Å; H334-T758 WeakPolarHBondContact CD2-CG2 3.16Å; K335-T758 HydrophobicContact CG-CG2 3.83Å; K335-T758 PolarHBondContact NZ-OG1 3.44Å; L755-T758 WeakPolarHBondContact O-CB 3.25Å; L755-T758 PolarHBondContact O-N 2.79Å; L755-T758 VanDerWaalsContact O-N 3.1Å; L755-T758 PolarHBondContact O-OG1 3.41Å; L756-T758 PolarHBondContact O-N 3Å
759	V	98.1	Very high	88.8	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	3.5	-171.2	-64.9	0	0	0	0	113.7	I714 L717 Y718 I725 L756 M757 L762	I714-V759 HydrophobicContact CD1-CG2 4.2Å; I714-V759 HydrophobicContact CG2-CG1 4.19Å; L717-V759 HydrophobicContact CB-CB 4.04Å; L717-V759 HydrophobicContact CB-CG1 4.15Å; L717-V759 HydrophobicContact CB-CG2 3.81Å; L717-V759 HydrophobicContact CD1-CG2 3.81Å; L717-V759 HydrophobicContact CG-CG2 4.42Å; Y718-V759 HydrophobicContact CD1-CG1 4.29Å; Y718-V759 HydrophobicContact CD2-CG1 3.6Å; Y718-V759 HydrophobicContact CE1-CG1 4.26Å; Y718-V759 HydrophobicContact CE2-CG1 3.54Å; Y718-V759 HydrophobicContact CG-CG1 3.99Å; I725-V759 HydrophobicContact CD1-CG2 3.81Å; L756-V759 WeakPolarHBondContact O-CG2 3.27Å; L756-V759 PolarHBondContact O-N 3.27Å; M757-V759 VanDerWaalsContact C-N 3.26Å; M757-V759 PolarHBondContact O-N 3.05Å; V759-L762 HydrophobicContact CB-CD1 3.75Å; V759-L762 HydrophobicContact CB-CG 4.4Å; V759-L762 HydrophobicContact CG1-CD1 3.88Å
760	V	95.9	Very high	86.3	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-38.9	-176.5	177	0	0	0	0	112.8	I725 L756 M757 G800 L801	I725-V760 HydrophobicContact CD1-CG2 4.28Å; L756-V760 WeakPolarHBondContact O-CG2 3.29Å; M757-V760 HydrophobicContact SD-CG2 4.24Å; V760-G800 VanDerWaalsContact CG1-CA 3.44Å; V760-G800 VanDerWaalsContact CG1-N 3.34Å; V760-L801 HydrophobicContact CG1-CB 4.37Å; V760-L801 HydrophobicContact CG2-CB 3.78Å; V760-L801 HydrophobicContact CG2-CD2 4.38Å
761	H	93.7	Very high	83.5	Confident	7 Å²	7	32 Å²	32	3%	0.032	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	18.2	-168.7	-59.4	-64.4	0	0	0	113.6	M373 S375 N763 P764 S798 G799	M373-H761 VanDerWaalsContact O-CB 3.3Å; M373-H761 WeakPolarHBondContact O-CB 3.23Å; S375-H761 WeakPolarHBondContact CB-O 3.13Å; H761-N763 VanDerWaalsContact C-N 3.27Å; H761-N763 PolarHBondContact O-N 3.36Å; H761-P764 WeakPolarHBondContact O-CD 3.45Å; H761-S798 VanDerWaalsContact CA-O 3.25Å; H761-S798 WeakPolarHBondContact CA-O 3.11Å; H761-S798 PolarHBondContact ND1-O 2.93Å; H761-S798 PolarHBondContact ND1-OG 3.37Å; H761-G799 PolarHBondContact CE1-O 3.07Å
762	L	95.2	Very high	80.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-66.3	-27.8	-177	-69.3	176.6	0	0	0	113.1	S375 L376 Y718 R721 V759	S375-L762 WeakPolarHBondContact CB-O 3.47Å; L376-L762 HydrophobicContact CB-CD2 4.41Å; L376-L762 HydrophobicContact CG-CD2 4.34Å; Y718-L762 HydrophobicContact CD1-CD1 3.76Å; Y718-L762 HydrophobicContact CD1-CD2 4.06Å; Y718-L762 HydrophobicContact CE1-CD1 4.25Å; Y718-L762 HydrophobicContact CE1-CD2 3.98Å; Y718-L762 HydrophobicContact CG-CD1 4.26Å; R721-L762 HydrophobicContact CB-CB 4.2Å; R721-L762 HydrophobicContact CG-CB 4.36Å; R721-L762 VanDerWaalsContact CZ-O 3.24Å; R721-L762 PolarHBondContact NH2-O 2.81Å; V759-L762 HydrophobicContact CB-CD1 3.75Å; V759-L762 HydrophobicContact CB-CG 4.4Å; V759-L762 HydrophobicContact CG1-CD1 3.88Å
763	N	92.9	Very high	77.4	Confident	33 Å²	33	51.7 Å²	51.7	18%	0.176	25%	0.253	C	S	.	.	S	Bend	trans	-127.2	75.5	-179.5	-168.4	43.2	0	0	0	113.3	R632 R721 Q723 H761 S765	R632-N763 PolarHBondContact NH2-ND2 3.46Å; R632-N763 PolarHBondContact NH2-OD1 2.95Å; R721-N763 HydrophobicContact CB-CB 4.28Å; R721-N763 WeakPolarHBondContact O-CB 3.3Å; Q723-N763 HydrophobicContact CG-CB 4.12Å; Q723-N763 WeakPolarHBondContact CG-ND2 3.44Å; H761-N763 VanDerWaalsContact C-N 3.27Å; H761-N763 PolarHBondContact O-N 3.36Å; N763-S765 PolarHBondContact O-OG 3.23Å
764	P	85.7	Confident	74.1	Confident	57 Å²	57	59.2 Å²	59.2	37%	0.37	29%	0.293	S	S	.	.			trans	-57	144.5	173.4	-22.7	34.7	0	0	0	111.4	H761	H761-P764 WeakPolarHBondContact O-CD 3.45Å
765	S	78.4	Confident	71	Confident	15 Å²	15	62.3 Å²	62.3	11%	0.105	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.9	-176.3	-56	0	0	0	0	110.3	Q723 N763 Y797	Q723-S765 PolarHBondContact NE2-OG 3.05Å; N763-S765 PolarHBondContact O-OG 3.23Å; S765-Y797 PolarHBondContact N-O 3.03Å; S765-Y797 PolarHBondContact O-N 3.37Å; S765-Y797 VanDerWaalsContact O-O 3.05Å
766	V	69.1	Low	67.7	Low	107 Å²	107	67.8 Å²	67.8	65%	0.648	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.9	171.6	-178.6	0	0	0	0	107.3	S794	V766-S794 VanDerWaalsContact CG1-OG 3.25Å; V766-S794 WeakPolarHBondContact CG1-OG 3.48Å
767	Y	67.9	Low	64.5	Low	28 Å²	28	75.2 Å²	75.2	11%	0.11	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.9	172.4	44.8	-95.7	0	0	0	111.4	C585 Y628 L630 I795 Y797	C585-Y767 PolarHBondContact O-OH 3.13Å; Y628-Y767 AromaticContact CD1-CE2 3.75Å; Y628-Y767 HydrophobicContact CD1-CE2 3.75Å; Y628-Y767 AromaticContact CD1-CZ 3.92Å; L630-Y767 HydrophobicContact CD2-CE1 4.01Å; Y767-I795 HydrophobicContact CE2-CB 4.41Å; Y767-I795 PolarHBondContact N-O 3.14Å; Y767-I795 PolarHBondContact O-N 2.73Å; Y767-I795 VanDerWaalsContact O-N 3.12Å; Y767-Y797 AromaticContact CE1-CD1 3.97Å; Y767-Y797 HydrophobicContact CE1-CD1 3.97Å; Y767-Y797 HydrophobicContact CE1-CG 4.15Å; Y767-Y797 WeakPolarHBondContact OH-CB 3.49Å
768	T	54.8	Low	61.7	Low	68 Å²	68	79.2 Å²	79.2	42%	0.417	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127	161.7	-45.6	0	0	0	0	106.5	N770	T768-N770 PolarHBondContact O-N 2.66Å
769	L	51.9	Low	58.8	Low	40 Å²	40	82.8 Å²	82.8	21%	0.209	44%	0.436	C	S	.	.			trans	-60.4	87.6	168.3	-80.1	160.2	0	0	0	108.6	H771 L789 I795	L769-H771 PolarHBondContact O-N 3.23Å; L769-L789 HydrophobicContact CD1-CD2 4.04Å; L769-L789 HydrophobicContact CD2-CD2 4.06Å; L769-I795 HydrophobicContact CD1-CD1 3.56Å; L769-I795 HydrophobicContact CG-CD1 4.24Å
770	N	45.5	Very low	55.8	Low	136 Å²	136	87.3 Å²	87.3	73%	0.727	46%	0.464	S	S	*	.			trans	-76.9	112.4	-179.4	-84.3	-32.3	0	0	0	108.3	T768 R772	T768-N770 PolarHBondContact O-N 2.66Å; N770-R772 VanDerWaalsContact C-N 3.27Å; N770-R772 PolarHBondContact O-N 3.41Å
771	H	41	Very low	53.2	Low	132 Å²	132	88.1 Å²	88.1	61%	0.611	47%	0.469	S	S	*	.			trans	-57.9	91.5	161.4	-79.3	-63.7	0	0	0	109.2	L769 K773	L769-H771 PolarHBondContact O-N 3.23Å; H771-K773 PolarHBondContact O-N 3.09Å
772	R	33.2	Very low	51	Low	218 Å²	218	89.8 Å²	89.8	82%	0.823	48%	0.48	S	S	*	.			trans	-62.9	96	155.3	-86.9	-172.4	175.3	178.7	1.2	106.2	N770 N774 S775	N770-R772 VanDerWaalsContact C-N 3.27Å; N770-R772 PolarHBondContact O-N 3.41Å; R772-N774 PolarHBondContact O-N 2.8Å; R772-S775 PolarHBondContact O-N 3.07Å
773	K	34	Very low	48.8	Very low	199 Å²	199	99.4 Å²	99.4	87%	0.865	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-3.1	176.6	-82	-176.8	176.2	175.1	0	114.8	H771	H771-K773 PolarHBondContact O-N 3.09Å
774	N	30	Very low	46.6	Very low	157 Å²	157	103.4 Å²	103.4	84%	0.84	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.3	12.5	-178	-70.1	-3.7	0	0	0	115	R772	R772-N774 PolarHBondContact O-N 2.8Å
775	S	32.8	Very low	44.6	Very low	81 Å²	81	102.3 Å²	102.3	57%	0.566	53%	0.526	S	S	*	.	S	Bend	trans	-88.2	127	163.5	-75	0	0	0	0	110.1	R772 I777	R772-S775 PolarHBondContact O-N 3.07Å; S775-I777 PolarHBondContact O-N 2.89Å; S775-I777 VanDerWaalsContact O-N 3.13Å
776	P	30.3	Very low	43	Very low	115 Å²	115	107.9 Å²	107.9	75%	0.747	55%	0.545	S	S	*	.			trans	-59.3	121.2	-177.1	23.2	-30.7	0	0	0	109.1	I778	P776-I778 PolarHBondContact O-N 2.79Å
777	I	30.5	Very low	42	Very low	157 Å²	157	108.6 Å²	108.6	81%	0.805	54%	0.541	S	S	*	.			trans	2.6	104.2	170	-57.2	170.6	0	0	0	112.6	S775 S779	S775-I777 PolarHBondContact O-N 2.89Å; S775-I777 VanDerWaalsContact O-N 3.13Å; I777-S779 VanDerWaalsContact C-N 3.29Å; I777-S779 PolarHBondContact O-N 2.92Å
778	I	37.5	Very low	41.2	Very low	113 Å²	113	111.9 Å²	111.9	58%	0.579	55%	0.553	S	S	*	*			trans	-52.8	95.7	168.4	-48.4	172	0	0	0	107.4	P776 T780 P781	P776-I778 PolarHBondContact O-N 2.79Å; I778-T780 PolarHBondContact O-N 3.4Å; I778-P781 HydrophobicContact CB-CG 4.18Å; I778-P781 HydrophobicContact CG2-CG 3.46Å; I778-P781 VanDerWaalsContact CG2-CG 3.46Å; I778-P781 WeakPolarHBondContact O-CD 3.45Å
779	S	35.7	Very low	40.8	Very low	75 Å²	75	110.9 Å²	110.9	52%	0.524	55%	0.545	S	S	.	.			trans	-78.8	116.6	175.3	42.3	0	0	0	0	106.8	I777	I777-S779 VanDerWaalsContact C-N 3.29Å; I777-S779 PolarHBondContact O-N 2.92Å
780	T	36.7	Very low	40.7	Very low	95 Å²	95	116.3 Å²	116.3	58%	0.583	57%	0.57	S	S	*	*			trans	63.6	63.8	175.1	44.8	0	0	0	0	119.6	I778	I778-T780 PolarHBondContact O-N 3.4Å
781	P	41.5	Very low	40.8	Very low	18 Å²	18	116.2 Å²	116.2	12%	0.117	57%	0.565	C	S	.	*			trans	-66.6	146.3	138.3	-7.8	25.6	0	0	0	108.5	I778 T785 R786 L789	I778-P781 HydrophobicContact CB-CG 4.18Å; I778-P781 HydrophobicContact CG2-CG 3.46Å; I778-P781 VanDerWaalsContact CG2-CG 3.46Å; I778-P781 WeakPolarHBondContact O-CD 3.45Å; P781-T785 VanDerWaalsContact CB-CB 3.49Å; P781-T785 HydrophobicContact CB-CG2 3.59Å; P781-R786 HydrophobicContact CB-CG 4.08Å; P781-R786 HydrophobicContact CG-CG 4.12Å; P781-L789 HydrophobicContact CG-CD1 4.48Å
782	T	46.7	Very low	41.1	Very low	42 Å²	42	118.8 Å²	118.8	26%	0.258	58%	0.577	S	S	.	*			trans	-53	155.5	172	64	0	0	0	0	109.8	Q784 T785 R786	T782-Q784 PolarHBondContact O-N 3.35Å; T782-T785 PolarHBondContact O-N 2.84Å; T782-T785 PolarHBondContact OG1-N 3.26Å; T782-T785 PolarHBondContact OG1-OG1 3.38Å; T782-R786 PolarHBondContact O-N 3.16Å
783	R	47.9	Very low	42.1	Very low	201 Å²	201	115.2 Å²	115.2	76%	0.758	57%	0.568	S	S	*	*	H	α-helix	trans	-51	-32.2	178.1	-178.1	-179.4	173	-172.3	-0.8	111.9	Q787	R783-Q787 PolarHBondContact O-N 3.2Å
784	Q	46.7	Very low	43.3	Very low	118 Å²	118	109.2 Å²	109.2	55%	0.551	55%	0.55	S	S	*	*	H	α-helix	trans	-69.8	-49.8	175.4	-64.1	-178.8	-6	0	0	111.4	T782 R786 Q787 R788	T782-Q784 PolarHBondContact O-N 3.35Å; Q784-R786 VanDerWaalsContact C-N 3.27Å; Q784-R786 PolarHBondContact O-N 2.97Å; Q784-Q787 PolarHBondContact O-N 3.13Å; Q784-R788 WeakPolarHBondContact O-CB 3.21Å; Q784-R788 WeakPolarHBondContact O-CD 3.38Å; Q784-R788 WeakPolarHBondContact O-CG 3.43Å; Q784-R788 PolarHBondContact O-N 2.59Å
785	T	45.3	Very low	44.9	Very low	33 Å²	33	103.3 Å²	103.3	20%	0.202	52%	0.518	C	S	.	.	H	α-helix	trans	-57.8	-36.2	175.4	-47	0	0	0	0	112.5	P781 T782 R788 L789	P781-T785 VanDerWaalsContact CB-CB 3.49Å; P781-T785 HydrophobicContact CB-CG2 3.59Å; T782-T785 PolarHBondContact O-N 2.84Å; T782-T785 PolarHBondContact OG1-N 3.26Å; T782-T785 PolarHBondContact OG1-OG1 3.38Å; T785-R788 PolarHBondContact O-N 3.1Å; T785-L789 HydrophobicContact CG2-CD1 3.95Å; T785-L789 HydrophobicContact CG2-CG 4.24Å; T785-L789 WeakPolarHBondContact O-CB 3.47Å; T785-L789 VanDerWaalsContact O-CG 3.26Å; T785-L789 WeakPolarHBondContact O-CG 3.47Å; T785-L789 PolarHBondContact O-N 3.07Å
786	R	45.1	Very low	46.8	Very low	132 Å²	132	103.9 Å²	103.9	50%	0.498	52%	0.523	S	S	.	.	H	α-helix	trans	-65.9	-42.8	175.4	-71.5	-175.8	-176.9	171	0.6	114.2	P781 T782 Q784 R788	P781-R786 HydrophobicContact CB-CG 4.08Å; P781-R786 HydrophobicContact CG-CG 4.12Å; T782-R786 PolarHBondContact O-N 3.16Å; Q784-R786 VanDerWaalsContact C-N 3.27Å; Q784-R786 PolarHBondContact O-N 2.97Å; R786-R788 VanDerWaalsContact C-N 3.26Å
787	Q	47.6	Very low	49.4	Very low	123 Å²	123	98.6 Å²	98.6	58%	0.575	49%	0.488	S	S	*	.	H	α-helix	trans	-68.1	-30.9	176.2	-74.4	-179.7	-25.5	0	0	111.4	R783 Q784	R783-Q787 PolarHBondContact O-N 3.2Å; Q784-Q787 PolarHBondContact O-N 3.13Å
788	R	51.4	Low	52	Low	96 Å²	96	92.9 Å²	92.9	36%	0.362	46%	0.462	S	S	.	.	H	α-helix	trans	-73.2	-43.4	179.7	-68.8	166.6	-167.9	174.9	1.7	113.1	E583 Q784 T785 R786 Q790 Q791	E583-R788 IonicContact OE2-NH1 2.71Å; Q784-R788 WeakPolarHBondContact O-CB 3.21Å; Q784-R788 WeakPolarHBondContact O-CD 3.38Å; Q784-R788 WeakPolarHBondContact O-CG 3.43Å; Q784-R788 PolarHBondContact O-N 2.59Å; T785-R788 PolarHBondContact O-N 3.1Å; R786-R788 VanDerWaalsContact C-N 3.26Å; R788-Q790 PolarHBondContact O-N 3.01Å; R788-Q791 PolarHBondContact O-N 2.78Å
789	L	46.2	Very low	54.6	Low	47 Å²	47	87.6 Å²	87.6	25%	0.246	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-10.1	-179.6	-72	170.7	0	0	0	114.5	L769 P781 T785	L769-L789 HydrophobicContact CD1-CD2 4.04Å; L769-L789 HydrophobicContact CD2-CD2 4.06Å; P781-L789 HydrophobicContact CG-CD1 4.48Å; T785-L789 HydrophobicContact CG2-CD1 3.95Å; T785-L789 HydrophobicContact CG2-CG 4.24Å; T785-L789 WeakPolarHBondContact O-CB 3.47Å; T785-L789 VanDerWaalsContact O-CG 3.26Å; T785-L789 WeakPolarHBondContact O-CG 3.47Å; T785-L789 PolarHBondContact O-N 3.07Å
790	Q	48.5	Very low	57.4	Low	155 Å²	155	84 Å²	84	72%	0.724	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-9.2	-179.5	-76.7	178.7	-11.9	0	0	114.2	R788	R788-Q790 PolarHBondContact O-N 3.01Å
791	Q	47.1	Very low	60.4	Low	134 Å²	134	79.5 Å²	79.5	63%	0.626	38%	0.383	S	S	*	.	S	Bend	trans	-93.9	115.6	177	-67.4	-177	-3.2	0	0	109.7	R788 K793	R788-Q791 PolarHBondContact O-N 2.78Å; Q791-K793 PolarHBondContact O-N 2.93Å
792	E	48.1	Very low	63.1	Low	185 Å²	185	78.7 Å²	78.7	86%	0.864	38%	0.378	S	S	*	.			trans	-66.8	76	165.5	-73.7	-178.7	171.7	0	0	109.2
793	K	54.5	Low	65.6	Low	144 Å²	144	76.7 Å²	76.7	63%	0.626	37%	0.365	S	S	*	.			trans	-109.6	124.6	172.9	-155.9	175.5	-179.1	-174.3	0	107.1	Q791 I795	Q791-K793 PolarHBondContact O-N 2.93Å; K793-I795 PolarHBondContact O-N 2.96Å
794	S	58.4	Low	68	Low	72 Å²	72	67.2 Å²	67.2	50%	0.503	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	119	164.4	-179.9	0	0	0	0	107.3	V766	V766-S794 VanDerWaalsContact CG1-OG 3.25Å; V766-S794 WeakPolarHBondContact CG1-OG 3.48Å
795	I	65.1	Low	70.5	Confident	33 Å²	33	61.6 Å²	61.6	17%	0.169	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.8	177.9	-61.5	175	0	0	0	106.6	Y767 L769 K793	Y767-I795 HydrophobicContact CE2-CB 4.41Å; Y767-I795 PolarHBondContact N-O 3.14Å; Y767-I795 PolarHBondContact O-N 2.73Å; Y767-I795 VanDerWaalsContact O-N 3.12Å; L769-I795 HydrophobicContact CD1-CD1 3.56Å; L769-I795 HydrophobicContact CG-CD1 4.24Å; K793-I795 PolarHBondContact O-N 2.96Å
796	S	71.8	Confident	73	Confident	94 Å²	94	60 Å²	60	66%	0.657	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.7	165.9	-175.2	0	0	0	0	107.7
797	Y	84.3	Confident	75.4	Confident	3 Å²	3	53.7 Å²	53.7	1%	0.012	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.5	179	170.6	-114.4	0	0	0	108.9	V584 L630 Q723 S765 Y767 G799 G800	V584-Y797 HydrophobicContact CG1-CE2 4.36Å; V584-Y797 VanDerWaalsContact O-CE2 3.32Å; V584-Y797 WeakPolarHBondContact O-CE2 3.26Å; L630-Y797 HydrophobicContact CD1-CE1 4.02Å; L630-Y797 HydrophobicContact CD2-CD1 4.09Å; L630-Y797 HydrophobicContact CD2-CE1 3.98Å; Q723-Y797 VanDerWaalsContact O-CE1 3.31Å; Q723-Y797 WeakPolarHBondContact O-CE1 3.22Å; Q723-Y797 PolarHBondContact O-OH 3.25Å; S765-Y797 PolarHBondContact N-O 3.03Å; S765-Y797 PolarHBondContact O-N 3.37Å; S765-Y797 VanDerWaalsContact O-O 3.05Å; Y767-Y797 AromaticContact CE1-CD1 3.97Å; Y767-Y797 HydrophobicContact CE1-CD1 3.97Å; Y767-Y797 HydrophobicContact CE1-CG 4.15Å; Y767-Y797 WeakPolarHBondContact OH-CB 3.49Å; Y797-G799 WeakPolarHBondContact CE2-O 2.97Å; Y797-G799 VanDerWaalsContact CZ-CA 3.45Å; Y797-G799 VanDerWaalsContact OH-C 3.23Å; Y797-G800 PolarHBondContact OH-N 3.25Å
798	S	86.6	Confident	77.7	Confident	37 Å²	37	47.9 Å²	47.9	26%	0.259	24%	0.243	S	C	.	.			trans	-83.5	-15.3	-175.9	56.8	0	0	0	0	114	H761	H761-S798 VanDerWaalsContact CA-O 3.25Å; H761-S798 WeakPolarHBondContact CA-O 3.11Å; H761-S798 PolarHBondContact ND1-O 2.93Å; H761-S798 PolarHBondContact ND1-OG 3.37Å
799	G	92	Very high	79.8	Confident	3 Å²	3	44.7 Å²	44.7	3%	0.031	23%	0.231	C	C	.	.			trans	126.8	171.2	-172.4	0	0	0	0	0	112	Q723 H761 Y797	Q723-G799 VanDerWaalsContact O-CA 3.29Å; Q723-G799 WeakPolarHBondContact O-CA 3.33Å; H761-G799 PolarHBondContact CE1-O 3.07Å; Y797-G799 WeakPolarHBondContact CE2-O 2.97Å; Y797-G799 VanDerWaalsContact CZ-CA 3.45Å; Y797-G799 VanDerWaalsContact OH-C 3.23Å
800	G	94.6	Very high	82.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	154.1	-178.8	0	0	0	0	0	115	I725 V760 Y797	I725-G800 PolarHBondContact N-O 3.43Å; V760-G800 VanDerWaalsContact CG1-CA 3.44Å; V760-G800 VanDerWaalsContact CG1-N 3.34Å; Y797-G800 PolarHBondContact OH-N 3.25Å
801	L	98.1	Very high	84.3	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.9	176	178.8	61.8	0	0	0	109.8	N591 G592 I725 V727 T753 L756 M757 V760 L803 L825	N591-L801 CarbonylContact C-O 3.59Å; N591-L801 WeakPolarHBondContact CA-O 3.39Å; N591-L801 HydrophobicContact CB-CB 4.15Å; N591-L801 WeakPolarHBondContact CB-O 3.28Å; G592-L801 PolarHBondContact N-O 3.35Å; I725-L801 HydrophobicContact CB-CD1 3.8Å; I725-L801 HydrophobicContact CG2-CD1 3.68Å; I725-L801 WeakPolarHBondContact O-CA 3.39Å; V727-L801 HydrophobicContact CG2-CD1 3.67Å; T753-L801 HydrophobicContact CG2-CD2 4.37Å; L756-L801 HydrophobicContact CB-CD1 4.35Å; L756-L801 HydrophobicContact CB-CD2 4.12Å; L756-L801 HydrophobicContact CD1-CD1 4.24Å; M757-L801 HydrophobicContact CG-CD2 4.26Å; M757-L801 HydrophobicContact SD-CB 4.42Å; M757-L801 HydrophobicContact SD-CD2 3.63Å; V760-L801 HydrophobicContact CG1-CB 4.37Å; V760-L801 HydrophobicContact CG2-CB 3.78Å; V760-L801 HydrophobicContact CG2-CD2 4.38Å; L801-L803 HydrophobicContact CD1-CD1 4.04Å; L801-L803 HydrophobicContact CD2-CD1 4.07Å; L801-L803 HydrophobicContact CG-CD1 3.72Å; L801-L825 HydrophobicContact CD2-CD2 3.78Å; L801-L825 HydrophobicContact CG-CD2 4.35Å
802	V	98.8	Very high	86.5	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.1	179.6	176.8	0	0	0	0	109.8	L577 V580 I581 V584 G592 L724 I725 L726 V727	L577-V802 HydrophobicContact CD1-CG1 3.51Å; V580-V802 HydrophobicContact CB-CG1 4.29Å; V580-V802 HydrophobicContact CG1-CB 4.34Å; V580-V802 HydrophobicContact CG1-CG1 3.53Å; V580-V802 HydrophobicContact CG1-CG2 3.95Å; I581-V802 HydrophobicContact CG1-CG1 4.38Å; I581-V802 HydrophobicContact CG1-CG2 4.39Å; V584-V802 HydrophobicContact CB-CG2 4.24Å; V584-V802 HydrophobicContact CG1-CG2 4.37Å; V584-V802 HydrophobicContact CG2-CG2 3.99Å; G592-V802 WeakPolarHBondContact O-CA 3.2Å; L724-V802 HydrophobicContact CD1-CG2 4.28Å; I725-V802 PolarHBondContact O-N 3.05Å; L726-V802 CarbonylContact C-O 3.55Å; L726-V802 WeakPolarHBondContact CA-O 3.05Å; L726-V802 HydrophobicContact CD2-CB 3.77Å; L726-V802 HydrophobicContact CD2-CG1 4.28Å; L726-V802 HydrophobicContact CD2-CG2 4.33Å; V727-V802 PolarHBondContact N-O 3.05Å
803	L	98.9	Very high	88.7	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	131.1	173.3	-78	62.6	0	0	0	109.1	G592 M593 A594 W638 V727 A729 L801 C821 L825	G592-L803 PolarHBondContact O-N 2.91Å; M593-L803 HydrophobicContact SD-CB 3.62Å; A594-L803 PolarHBondContact N-O 2.93Å; W638-L803 HydrophobicContact CH2-CD2 4.17Å; W638-L803 HydrophobicContact CZ2-CD2 4.11Å; V727-L803 HydrophobicContact CB-CD1 4.26Å; V727-L803 HydrophobicContact CB-CG 3.97Å; V727-L803 HydrophobicContact CG1-CG 4.39Å; V727-L803 HydrophobicContact CG2-CD1 4.02Å; V727-L803 HydrophobicContact CG2-CG 4.25Å; A729-L803 HydrophobicContact CB-CB 4.19Å; A729-L803 HydrophobicContact CB-CG 4.4Å; L801-L803 HydrophobicContact CD1-CD1 4.04Å; L801-L803 HydrophobicContact CD2-CD1 4.07Å; L801-L803 HydrophobicContact CG-CD1 3.72Å; L803-C821 HydrophobicContact CD2-CB 3.71Å; L803-L825 HydrophobicContact CD1-CD1 4.35Å; L803-L825 HydrophobicContact CD1-CD2 4.38Å
804	A	98.8	Very high	90.7	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.5	174.3	0	0	0	0	0	109.7	L577 A594 I596 V617 V727 A729 E806	L577-A804 HydrophobicContact CD1-CB 3.86Å; L577-A804 HydrophobicContact CD2-CB 3.85Å; L577-A804 HydrophobicContact CG-CB 4.45Å; A594-A804 HydrophobicContact CB-CB 4.45Å; I596-A804 HydrophobicContact CD1-CB 4.34Å; V617-A804 HydrophobicContact CG2-CB 3.89Å; V727-A804 PolarHBondContact O-N 3.2Å; A729-A804 WeakPolarHBondContact CA-O 3.45Å; A729-A804 WeakPolarHBondContact CB-O 3.42Å; A729-A804 PolarHBondContact N-O 2.95Å; A804-E806 PolarHBondContact O-N 2.85Å
805	L	98.8	Very high	92.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	123	-179.8	180	67.8	0	0	0	110.9	I498 A594 L595 F731 L814 V818	I498-L805 HydrophobicContact CG2-CD2 3.87Å; A594-L805 PolarHBondContact O-N 3.33Å; L595-L805 HydrophobicContact CD1-CD2 3.91Å; F731-L805 HydrophobicContact CD2-CD1 3.69Å; F731-L805 HydrophobicContact CE2-CD1 3.8Å; L805-L814 HydrophobicContact CD1-CD1 3.58Å; L805-V818 HydrophobicContact CD1-CG2 4.37Å
806	E	98.3	Very high	94.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.			trans	-109.5	-109.1	174.7	-65.1	-66.1	172.7	0	0	110.5	R497 P599 G600 H601 A729 A804	R497-E806 PolarHBondContact NH1-O 3.33Å; R497-E806 PolarHBondContact NH2-O 2.98Å; P599-E806 WeakPolarHBondContact CA-OE2 3.37Å; P599-E806 WeakPolarHBondContact CB-OE2 3.32Å; G600-E806 PolarHBondContact N-OE2 2.53Å; H601-E806 IonicContact CD2-OE2 3.62Å; H601-E806 PolarHBondContact N-OE2 3.23Å; A729-E806 PolarHBondContact O-N 2.95Å; A729-E806 VanDerWaalsContact O-N 3.09Å; A804-E806 PolarHBondContact O-N 2.85Å
807	G	94.5	Very high	95.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.			trans	-77.7	-173.7	176.3	0	0	0	0	0	115.4	R497 D639 F731	R497-G807 PolarHBondContact NH2-O 3.02Å; R497-G807 VanDerWaalsContact NH2-O 3.13Å; D639-G807 WeakPolarHBondContact OD2-CA 3.31Å; D639-G807 PolarHBondContact OD2-N 3.16Å; F731-G807 PolarHBondContact N-O 2.93Å; F731-G807 VanDerWaalsContact N-O 3.07Å
808	G	96.1	Very high	96.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.08	C	C	.	.			trans	108.1	112.6	-173.5	0	0	0	0	0	111.8	R497	R497-G808 PolarHBondContact NE-O 3.15Å; R497-G808 PolarHBondContact NH2-O 2.9Å
809	Y	95.4	Very high	96.6	Very high	29 Å²	29	13 Å²	13	11%	0.114	7%	0.067	C	C	.	.			trans	-131.9	-7.6	-164.8	-51.4	-75.4	0	0	0	112.8	P492 E493 F611 D732 D737 L739 I811	P492-Y809 HydrophobicContact CB-CD1 3.81Å; P492-Y809 HydrophobicContact CB-CE1 4.4Å; P492-Y809 HydrophobicContact CB-CG 4Å; P492-Y809 WeakPolarHBondContact O-CD1 3.26Å; E493-Y809 HydrophobicContact CB-CE1 4.36Å; F611-Y809 HydrophobicContact CD2-CE1 4.13Å; F611-Y809 AromaticContact CD2-CZ 3.9Å; F611-Y809 VanDerWaalsContact CD2-OH 3.23Å; F611-Y809 WeakPolarHBondContact CD2-OH 3.43Å; F611-Y809 AromaticContact CE2-CE1 3.94Å; F611-Y809 HydrophobicContact CE2-CE1 3.94Å; F611-Y809 HydrophobicContact CE2-CE2 4.42Å; F611-Y809 AromaticContact CE2-CZ 3.66Å; F611-Y809 WeakPolarHBondContact CE2-OH 3.24Å; D732-Y809 HydrophobicContact CB-CD2 3.97Å; D732-Y809 HydrophobicContact CB-CE2 4.13Å; D732-Y809 WeakPolarHBondContact OD2-CE2 3.5Å; D737-Y809 WeakPolarHBondContact OD2-CA 3.48Å; D737-Y809 PolarHBondContact OD2-N 3.16Å; L739-Y809 HydrophobicContact CB-CD2 4.17Å; L739-Y809 HydrophobicContact CD1-CD1 4.28Å; L739-Y809 HydrophobicContact CD1-CD2 3.15Å; L739-Y809 HydrophobicContact CD1-CE2 3.6Å; L739-Y809 HydrophobicContact CD1-CG 3.52Å; L739-Y809 HydrophobicContact CG-CD2 4.25Å; Y809-I811 PolarHBondContact O-N 2.83Å
810	Q	95.1	Very high	96.9	Very high	61 Å²	61	13.5 Å²	13.5	29%	0.285	7%	0.069	S	C	.	.			trans	-83.5	100.5	158	-157.5	-77.5	59.4	0	0	109.2	D737 T812 A813 L814	D737-Q810 HydrophobicContact CB-CB 4.31Å; D737-Q810 PolarHBondContact OD2-N 2.89Å; Q810-T812 PolarHBondContact O-N 3.22Å; Q810-A813 HydrophobicContact CB-CB 4.25Å; Q810-A813 HydrophobicContact CG-CB 4.37Å; Q810-A813 PolarHBondContact O-N 3.43Å; Q810-L814 VanDerWaalsContact O-CB 3.25Å; Q810-L814 WeakPolarHBondContact O-CB 3.35Å; Q810-L814 PolarHBondContact O-N 2.95Å
811	I	94.8	Very high	97.1	Very high	38 Å²	38	13.5 Å²	13.5	20%	0.195	7%	0.069	C	C	.	.	H	α-helix	trans	-54.8	-44.1	-169.3	-56.7	-58.5	0	0	0	114	E496 R497 H500 Y809 S815	E496-I811 HydrophobicContact CB-CD1 4.22Å; E496-I811 HydrophobicContact CB-CG1 4.49Å; R497-I811 HydrophobicContact CB-CD1 4.3Å; R497-I811 HydrophobicContact CG-CD1 3.62Å; H500-I811 HydrophobicContact CB-CG2 3.49Å; H500-I811 VanDerWaalsContact CB-CG2 3.49Å; Y809-I811 PolarHBondContact O-N 2.83Å; I811-S815 WeakPolarHBondContact O-CB 3.36Å; I811-S815 PolarHBondContact O-N 3.14Å; I811-S815 PolarHBondContact O-OG 2.99Å
812	T	94.3	Very high	97.1	Very high	72 Å²	72	13.5 Å²	13.5	44%	0.442	7%	0.069	S	C	.	.	H	α-helix	trans	-67.5	-47.7	-179.9	-55.9	0	0	0	0	111.5	Q810 S815 Q816	Q810-T812 PolarHBondContact O-N 3.22Å; T812-S815 PolarHBondContact O-N 3.17Å; T812-Q816 WeakPolarHBondContact O-CG 3.46Å; T812-Q816 PolarHBondContact O-N 2.96Å
813	A	93.4	Very high	97	Very high	5 Å²	5	13.4 Å²	13.4	4%	0.041	7%	0.069	C	C	.	.	H	α-helix	trans	-63.6	-47.3	178.8	0	0	0	0	0	110.6	A734 Q810 S815 Q816 C817	A734-A813 HydrophobicContact CB-CB 4.08Å; Q810-A813 HydrophobicContact CB-CB 4.25Å; Q810-A813 HydrophobicContact CG-CB 4.37Å; Q810-A813 PolarHBondContact O-N 3.43Å; A813-S815 VanDerWaalsContact C-N 3.34Å; A813-S815 PolarHBondContact O-N 3.01Å; A813-Q816 WeakPolarHBondContact O-CB 3.47Å; A813-Q816 PolarHBondContact O-N 3.45Å; A813-Q816 VanDerWaalsContact O-N 3.16Å; A813-C817 PolarHBondContact O-N 3.47Å; A813-C817 PolarHBondContact O-SG 2.77Å
814	L	97.5	Very high	96.8	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-49.5	-53.9	173.1	167.6	66.3	0	0	0	111.7	R497 F731 L805 Q810 Q816 C817 V818	R497-L814 HydrophobicContact CB-CD2 3.71Å; R497-L814 HydrophobicContact CG-CD2 4.07Å; F731-L814 HydrophobicContact CB-CD1 3.86Å; F731-L814 HydrophobicContact CD2-CD1 3.49Å; F731-L814 VanDerWaalsContact CD2-CD1 3.49Å; F731-L814 HydrophobicContact CE2-CD1 4.42Å; F731-L814 HydrophobicContact CG-CD1 4.05Å; L805-L814 HydrophobicContact CD1-CD1 3.58Å; Q810-L814 VanDerWaalsContact O-CB 3.25Å; Q810-L814 WeakPolarHBondContact O-CB 3.35Å; Q810-L814 PolarHBondContact O-N 2.95Å; L814-Q816 VanDerWaalsContact C-N 3.29Å; L814-Q816 PolarHBondContact O-N 2.85Å; L814-C817 PolarHBondContact O-N 2.81Å; L814-V818 HydrophobicContact CD1-CG2 4.24Å; L814-V818 WeakPolarHBondContact O-CG2 3.42Å; L814-V818 PolarHBondContact O-N 3.42Å
815	S	97.8	Very high	96.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-38.9	-177.8	-63.8	0	0	0	0	112.1	H500 T501 L504 I811 T812 A813 A819	H500-S815 PolarHBondContact ND1-OG 3.22Å; T501-S815 WeakPolarHBondContact CA-OG 3.37Å; T501-S815 PolarHBondContact N-OG 3.15Å; T501-S815 WeakPolarHBondContact OG1-CA 3.41Å; T501-S815 PolarHBondContact OG1-OG 3.06Å; L504-S815 WeakPolarHBondContact CD2-O 3.27Å; I811-S815 WeakPolarHBondContact O-CB 3.36Å; I811-S815 PolarHBondContact O-N 3.14Å; I811-S815 PolarHBondContact O-OG 2.99Å; T812-S815 PolarHBondContact O-N 3.17Å; A813-S815 VanDerWaalsContact C-N 3.34Å; A813-S815 PolarHBondContact O-N 3.01Å; S815-A819 WeakPolarHBondContact O-CB 3.35Å; S815-A819 PolarHBondContact O-N 3.25Å
816	Q	96.7	Very high	96.5	Very high	62 Å²	62	15.8 Å²	15.8	29%	0.29	8%	0.081	S	C	.	.	H	α-helix	trans	-64.4	-46.4	175.1	-73.1	172.4	-25.6	0	0	111.5	L504 P746 T812 A813 L814 V818 A819 H820	L504-Q816 HydrophobicContact CD2-CG 4.47Å; P746-Q816 HydrophobicContact CB-CB 3.8Å; P746-Q816 HydrophobicContact CG-CB 3.97Å; T812-Q816 WeakPolarHBondContact O-CG 3.46Å; T812-Q816 PolarHBondContact O-N 2.96Å; A813-Q816 WeakPolarHBondContact O-CB 3.47Å; A813-Q816 PolarHBondContact O-N 3.45Å; A813-Q816 VanDerWaalsContact O-N 3.16Å; L814-Q816 VanDerWaalsContact C-N 3.29Å; L814-Q816 PolarHBondContact O-N 2.85Å; Q816-V818 VanDerWaalsContact C-N 3.34Å; Q816-V818 PolarHBondContact O-N 2.89Å; Q816-A819 WeakPolarHBondContact O-CB 3.49Å; Q816-A819 PolarHBondContact O-N 3.43Å; Q816-A819 VanDerWaalsContact O-N 3.14Å; Q816-H820 PolarHBondContact O-CD2 3.38Å; Q816-H820 PolarHBondContact O-N 3.14Å
817	C	98.3	Very high	96.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.2	-46.7	178.7	-57.7	0	0	0	0	111	F731 P746 F749 A813 L814 A819 H820 C821	F731-C817 HydrophobicContact CB-CB 4.09Å; F731-C817 HydrophobicContact CD1-CB 3.11Å; F731-C817 HydrophobicContact CD2-CB 4.47Å; F731-C817 HydrophobicContact CE1-CB 3.48Å; F731-C817 VanDerWaalsContact CE1-CB 3.48Å; F731-C817 HydrophobicContact CG-CB 3.65Å; F731-C817 HydrophobicContact CZ-CB 4.3Å; P746-C817 VanDerWaalsContact CA-SG 3.58Å; F749-C817 HydrophobicContact CB-CB 4.44Å; F749-C817 HydrophobicContact CD2-CB 3.95Å; F749-C817 VanDerWaalsContact CD2-SG 3.54Å; F749-C817 HydrophobicContact CG-CB 4.3Å; A813-C817 PolarHBondContact O-N 3.47Å; A813-C817 PolarHBondContact O-SG 2.77Å; L814-C817 PolarHBondContact O-N 2.81Å; C817-A819 VanDerWaalsContact C-N 3.34Å; C817-A819 PolarHBondContact O-N 3.17Å; C817-H820 PolarHBondContact O-N 3.49Å; C817-C821 PolarHBondContact O-N 3.26Å; C817-C821 PolarHBondContact O-SG 3.03Å; C817-C821 VanDerWaalsContact O-SG 3.36Å
818	V	98.6	Very high	96	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.2	-42.3	175.6	170.4	0	0	0	0	111.6	T501 L505 M593 L595 F731 L805 L814 Q816 H820 C821 V822	T501-V818 HydrophobicContact CG2-CB 3.56Å; T501-V818 HydrophobicContact CG2-CG1 3.41Å; T501-V818 VanDerWaalsContact CG2-CG1 3.41Å; T501-V818 HydrophobicContact CG2-CG2 3.94Å; L505-V818 HydrophobicContact CD1-CG1 4.22Å; L505-V818 HydrophobicContact CD2-CG1 4.43Å; M593-V818 HydrophobicContact CE-CB 4.14Å; M593-V818 HydrophobicContact CE-CG1 3.55Å; M593-V818 HydrophobicContact CE-CG2 3.65Å; L595-V818 HydrophobicContact CD1-CG1 4.44Å; F731-V818 HydrophobicContact CD2-CG2 3.93Å; F731-V818 HydrophobicContact CE2-CG2 3.39Å; F731-V818 HydrophobicContact CZ-CG2 3.93Å; L805-V818 HydrophobicContact CD1-CG2 4.37Å; L814-V818 HydrophobicContact CD1-CG2 4.24Å; L814-V818 WeakPolarHBondContact O-CG2 3.42Å; L814-V818 PolarHBondContact O-N 3.42Å; Q816-V818 VanDerWaalsContact C-N 3.34Å; Q816-V818 PolarHBondContact O-N 2.89Å; V818-H820 VanDerWaalsContact C-N 3.34Å; V818-H820 PolarHBondContact O-N 3.31Å; V818-C821 PolarHBondContact O-N 3.4Å; V818-V822 HydrophobicContact CG1-CG2 4.22Å; V818-V822 WeakPolarHBondContact O-CB 3.31Å; V818-V822 VanDerWaalsContact O-CG2 3.28Å; V818-V822 WeakPolarHBondContact O-CG2 3.42Å; V818-V822 PolarHBondContact O-N 3.2Å
819	A	98.2	Very high	95.7	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.2	-42.9	176.9	0	0	0	0	0	112	F42 L504 L505 L508 L510 S815 Q816 C817 V822 A823	F42-A819 HydrophobicContact CZ-CB 4.09Å; L504-A819 HydrophobicContact CD2-CB 4.25Å; L505-A819 HydrophobicContact CD2-CB 4.12Å; L508-A819 HydrophobicContact CD1-CB 3.76Å; L510-A819 HydrophobicContact CD1-CB 4.06Å; L510-A819 WeakPolarHBondContact CD1-O 3.26Å; S815-A819 WeakPolarHBondContact O-CB 3.35Å; S815-A819 PolarHBondContact O-N 3.25Å; Q816-A819 WeakPolarHBondContact O-CB 3.49Å; Q816-A819 PolarHBondContact O-N 3.43Å; Q816-A819 VanDerWaalsContact O-N 3.14Å; C817-A819 VanDerWaalsContact C-N 3.34Å; C817-A819 PolarHBondContact O-N 3.17Å; A819-V822 PolarHBondContact O-N 3.24Å; A819-A823 VanDerWaalsContact O-CB 3.26Å; A819-A823 WeakPolarHBondContact O-CB 3.37Å; A819-A823 PolarHBondContact O-N 3.41Å
820	H	97.9	Very high	95.5	Very high	13 Å²	13	18.7 Å²	18.7	6%	0.06	11%	0.108	C	C	.	.	H	α-helix	trans	-65.5	-43.2	176.2	-77.2	-58.7	0	0	0	112.7	Y41 A750 Q816 C817 V818 A823 T824	Y41-H820 AromaticContact CD1-CE1 3.94Å; Y41-H820 AromaticContact CE1-CE1 4Å; A750-H820 HydrophobicContact CB-CB 3.92Å; Q816-H820 PolarHBondContact O-CD2 3.38Å; Q816-H820 PolarHBondContact O-N 3.14Å; C817-H820 PolarHBondContact O-N 3.49Å; V818-H820 VanDerWaalsContact C-N 3.34Å; V818-H820 PolarHBondContact O-N 3.31Å; H820-A823 PolarHBondContact O-N 2.87Å; H820-T824 WeakPolarHBondContact O-CB 3.43Å; H820-T824 PolarHBondContact O-N 2.82Å; H820-T824 PolarHBondContact O-OG1 3.25Å
821	C	98.5	Very high	95.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.7	-48.7	172.6	-69.5	0	0	0	0	111.6	T753 L803 C817 V818 A823 T824 L825	T753-C821 PolarHBondContact OG1-SG 2.83Å; L803-C821 HydrophobicContact CD2-CB 3.71Å; C817-C821 PolarHBondContact O-N 3.26Å; C817-C821 PolarHBondContact O-SG 3.03Å; C817-C821 VanDerWaalsContact O-SG 3.36Å; V818-C821 PolarHBondContact O-N 3.4Å; C821-A823 PolarHBondContact O-N 2.82Å; C821-T824 WeakPolarHBondContact O-CB 3.29Å; C821-T824 PolarHBondContact O-N 2.77Å; C821-L825 WeakPolarHBondContact O-CG 3.37Å; C821-L825 PolarHBondContact O-N 3.16Å
822	V	98.2	Very high	95.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-41.3	-179.9	171	0	0	0	0	111.6	L505 L510 M593 V818 A819 T824 L825 L826	L505-V822 HydrophobicContact CD1-CG2 4.46Å; L505-V822 HydrophobicContact CD2-CB 4.1Å; L505-V822 HydrophobicContact CD2-CG1 4.27Å; L505-V822 HydrophobicContact CD2-CG2 4.16Å; L510-V822 HydrophobicContact CB-CG1 4.08Å; L510-V822 HydrophobicContact CD1-CB 4.49Å; L510-V822 HydrophobicContact CD1-CG1 4.37Å; M593-V822 HydrophobicContact CB-CG2 4.02Å; M593-V822 HydrophobicContact CG-CG2 3.91Å; V818-V822 HydrophobicContact CG1-CG2 4.22Å; V818-V822 WeakPolarHBondContact O-CB 3.31Å; V818-V822 VanDerWaalsContact O-CG2 3.28Å; V818-V822 WeakPolarHBondContact O-CG2 3.42Å; V818-V822 PolarHBondContact O-N 3.2Å; A819-V822 PolarHBondContact O-N 3.24Å; V822-T824 VanDerWaalsContact C-N 3.33Å; V822-T824 PolarHBondContact O-N 2.93Å; V822-L825 PolarHBondContact O-N 2.91Å; V822-L826 HydrophobicContact CG1-CD1 3.92Å; V822-L826 HydrophobicContact CG1-CG 4.49Å; V822-L826 WeakPolarHBondContact O-CB 3.05Å; V822-L826 WeakPolarHBondContact O-CD1 3.45Å; V822-L826 VanDerWaalsContact O-CG 3.24Å; V822-L826 WeakPolarHBondContact O-CG 3.31Å; V822-L826 PolarHBondContact O-N 2.86Å
823	A	96	Very high	94.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-58.6	-45.9	173.8	0	0	0	0	0	111.2	F42 L510 A819 H820 C821 L825 L826 G827 D828	F42-A823 HydrophobicContact CE1-CB 4.22Å; L510-A823 HydrophobicContact CD1-CB 4.3Å; L510-A823 HydrophobicContact CD2-CB 4.14Å; A819-A823 VanDerWaalsContact O-CB 3.26Å; A819-A823 WeakPolarHBondContact O-CB 3.37Å; A819-A823 PolarHBondContact O-N 3.41Å; H820-A823 PolarHBondContact O-N 2.87Å; C821-A823 PolarHBondContact O-N 2.82Å; A823-L825 PolarHBondContact O-N 2.79Å; A823-L826 CarbonylContact O-C 3.56Å; A823-L826 WeakPolarHBondContact O-CB 3.38Å; A823-L826 PolarHBondContact O-N 2.79Å; A823-L826 VanDerWaalsContact O-N 3.14Å; A823-G827 PolarHBondContact O-N 2.91Å; A823-D828 HydrophobicContact CB-CB 3.98Å; A823-D828 WeakPolarHBondContact CB-OD2 3.15Å; A823-D828 VanDerWaalsContact O-CB 3.27Å; A823-D828 WeakPolarHBondContact O-CB 3.47Å; A823-D828 PolarHBondContact O-N 3.39Å
824	T	96.3	Very high	94	Very high	8 Å²	8	17.6 Å²	17.6	5%	0.049	10%	0.099	C	C	.	.	H	α-helix	trans	-62.3	-44.6	177.3	-52.4	0	0	0	0	112	A750 T753 H754 H820 C821 V822 L826 G827	A750-T824 WeakPolarHBondContact CA-OG1 3.43Å; A750-T824 VanDerWaalsContact CB-OG1 3.22Å; A750-T824 WeakPolarHBondContact CB-OG1 3.45Å; T753-T824 HydrophobicContact CG2-CG2 3.95Å; H754-T824 HydrophobicContact CB-CG2 3.84Å; H820-T824 WeakPolarHBondContact O-CB 3.43Å; H820-T824 PolarHBondContact O-N 2.82Å; H820-T824 PolarHBondContact O-OG1 3.25Å; C821-T824 WeakPolarHBondContact O-CB 3.29Å; C821-T824 PolarHBondContact O-N 2.77Å; V822-T824 VanDerWaalsContact C-N 3.33Å; V822-T824 PolarHBondContact O-N 2.93Å; T824-L826 PolarHBondContact O-N 2.98Å; T824-G827 PolarHBondContact O-N 2.81Å
825	L	96.3	Very high	92.3	Very high	8 Å²	8	23.4 Å²	23.4	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-32.2	175.9	-69.9	178.4	0	0	0	112.5	T472 N591 T753 M757 L801 L803 C821 V822 A823 G827	T472-L825 HydrophobicContact CG2-CB 3.79Å; T472-L825 HydrophobicContact CG2-CD1 4.08Å; T472-L825 PolarHBondContact OG1-O 3.44Å; N591-L825 HydrophobicContact CB-CD2 3.96Å; N591-L825 PolarHBondContact ND2-O 3.12Å; T753-L825 HydrophobicContact CG2-CD2 3.73Å; T753-L825 HydrophobicContact CG2-CG 4.01Å; M757-L825 HydrophobicContact SD-CD2 4.18Å; L801-L825 HydrophobicContact CD2-CD2 3.78Å; L801-L825 HydrophobicContact CG-CD2 4.35Å; L803-L825 HydrophobicContact CD1-CD1 4.35Å; L803-L825 HydrophobicContact CD1-CD2 4.38Å; C821-L825 WeakPolarHBondContact O-CG 3.37Å; C821-L825 PolarHBondContact O-N 3.16Å; V822-L825 PolarHBondContact O-N 2.91Å; A823-L825 PolarHBondContact O-N 2.79Å; L825-G827 PolarHBondContact O-N 3.36Å
826	L	93.8	Very high	90.8	Very high	34 Å²	34	27.3 Å²	27.3	18%	0.178	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.4	176.3	-72.6	167.4	0	0	0	113.8	T472 L510 R513 V822 A823 T824	T472-L826 PolarHBondContact OG1-N 2.86Å; L510-L826 HydrophobicContact CB-CD1 4.33Å; L510-L826 HydrophobicContact CD2-CD1 4.01Å; R513-L826 HydrophobicContact CB-CD1 3.85Å; R513-L826 HydrophobicContact CB-CD2 3.86Å; V822-L826 HydrophobicContact CG1-CD1 3.92Å; V822-L826 HydrophobicContact CG1-CG 4.49Å; V822-L826 WeakPolarHBondContact O-CB 3.05Å; V822-L826 WeakPolarHBondContact O-CD1 3.45Å; V822-L826 VanDerWaalsContact O-CG 3.24Å; V822-L826 WeakPolarHBondContact O-CG 3.31Å; V822-L826 PolarHBondContact O-N 2.86Å; A823-L826 CarbonylContact O-C 3.56Å; A823-L826 WeakPolarHBondContact O-CB 3.38Å; A823-L826 PolarHBondContact O-N 2.79Å; A823-L826 VanDerWaalsContact O-N 3.14Å; T824-L826 PolarHBondContact O-N 2.98Å
827	G	91.2	Very high	90	Very high	40 Å²	40	25.3 Å²	25.3	41%	0.412	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	11	-179.8	0	0	0	0	0	115.1	R170 A823 T824 L825	R170-G827 PolarHBondContact NH1-O 3.13Å; A823-G827 PolarHBondContact O-N 2.91Å; T824-G827 PolarHBondContact O-N 2.81Å; L825-G827 PolarHBondContact O-N 3.36Å
828	D	92.1	Very high	89.1	Confident	22 Å²	22	26.9 Å²	26.9	12%	0.118	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-69.6	151.2	169.3	-60.2	-22.9	0	0	0	109.9	R513 A823	R513-D828 IonicContact CZ-OD1 2.94Å; R513-D828 VanDerWaalsContact CZ-OD1 3.26Å; R513-D828 IonicContact CZ-OD2 3.34Å; R513-D828 IonicContact NH1-OD1 3.44Å; R513-D828 PolarHBondContact NH1-OD1 2.96Å; R513-D828 IonicContact NH1-OD2 2.73Å; R513-D828 PolarHBondContact NH1-OD2 2.71Å; R513-D828 IonicContact NH2-OD1 3.24Å; R513-D828 PolarHBondContact NH2-OD1 3.28Å; R513-D828 IonicContact NH2-OD2 3.13Å; A823-D828 HydrophobicContact CB-CB 3.98Å; A823-D828 WeakPolarHBondContact CB-OD2 3.15Å; A823-D828 VanDerWaalsContact O-CB 3.27Å; A823-D828 WeakPolarHBondContact O-CB 3.47Å; A823-D828 PolarHBondContact O-N 3.39Å
829	N	88.8	Confident	88.7	Confident	29 Å²	29	27.7 Å²	27.7	16%	0.155	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-70.6	159.4	-177.5	-50.4	-29.5	0	0	0	110.7	Y41 R170 E341	Y41-N829 PolarHBondContact OH-O 2.93Å; R170-N829 VanDerWaalsContact CD-CG 3.43Å; R170-N829 WeakPolarHBondContact CD-ND2 3.32Å; R170-N829 WeakPolarHBondContact CD-OD1 3.47Å; R170-N829 PolarHBondContact NH1-OD1 3.21Å; E341-N829 WeakPolarHBondContact O-CB 3.33Å; E341-N829 VanDerWaalsContact O-CG 3.32Å; E341-N829 PolarHBondContact O-ND2 3.03Å
830	C	91.3	Very high	88.3	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-72.5	133.7	171.8	-68.3	0	0	0	0	110.3	H751 H754	H751-C830 VanDerWaalsContact CE1-CB 3.44Å; H751-C830 WeakPolarHBondContact CE1-CB 3.23Å; H754-C830 WeakPolarHBondContact CB-SG 3.35Å
831	P	91.6	Very high	88	Confident	8 Å²	8	34 Å²	34	5%	0.052	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-62.3	152.9	166.8	27.9	-34.6	0	0	0	110.1	Y41 E747 A750 H751	Y41-P831 HydrophobicContact CD2-CB 3.96Å; Y41-P831 HydrophobicContact CE2-CB 3.65Å; Y41-P831 HydrophobicContact CE2-CG 4.4Å; E747-P831 HydrophobicContact CB-CB 4.3Å; E747-P831 HydrophobicContact CB-CG 3.67Å; E747-P831 HydrophobicContact CG-CB 3.81Å; E747-P831 HydrophobicContact CG-CG 3.57Å; A750-P831 HydrophobicContact CB-CG 4.4Å; H751-P831 PolarHBondContact NE2-O 3Å
832	R	90.9	Very high	87.8	Confident	82 Å²	82	39.1 Å²	39.1	31%	0.309	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-61.9	144	172.5	-68.6	-179.5	59.2	-160.2	-16.3	110.9	R212 D301 E303 E341	R212-R832 VanDerWaalsContact NH2-CZ 3.27Å; D301-R832 IonicContact OD1-CZ 3.34Å; D301-R832 IonicContact OD1-NE 3.78Å; D301-R832 PolarHBondContact OD1-NE 2.78Å; D301-R832 IonicContact OD1-NH2 2.83Å; D301-R832 IonicContact OD2-CZ 2.73Å; D301-R832 IonicContact OD2-NE 2.67Å; D301-R832 PolarHBondContact OD2-NE 3.23Å; D301-R832 IonicContact OD2-NH2 3.81Å; D301-R832 PolarHBondContact OD2-NH2 3.42Å; E303-R832 IonicContact OE1-NH1 3.84Å; E341-R832 HydrophobicContact CG-CG 4.08Å
833	L	89.7	Confident	87.7	Confident	14 Å²	14	39.2 Å²	39.2	7%	0.073	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-71.3	162.6	179	-68.3	173.7	0	0	0	111.5	Y298 D702 I706 E747 C748 H751 L837	Y298-L833 HydrophobicContact CD1-CD1 3.7Å; Y298-L833 HydrophobicContact CE1-CD1 4.06Å; D702-L833 HydrophobicContact CB-CD2 4.49Å; I706-L833 HydrophobicContact CD1-CD1 4.37Å; I706-L833 HydrophobicContact CG1-CD1 4.04Å; E747-L833 HydrophobicContact CB-CD2 4.33Å; C748-L833 HydrophobicContact CB-CD2 4.11Å; H751-L833 WeakPolarHBondContact CD2-CD2 3.43Å; L833-L837 HydrophobicContact CB-CD1 4.33Å; L833-L837 HydrophobicContact CB-CD2 3.83Å; L833-L837 HydrophobicContact CB-CG 4.46Å; L833-L837 HydrophobicContact CD1-CD1 4.42Å; L833-L837 HydrophobicContact CD1-CD2 3.59Å; L833-L837 HydrophobicContact CG-CD2 4.31Å
834	S	73.6	Confident	87.6	Confident	48 Å²	48	39.6 Å²	39.6	34%	0.336	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-68.3	148.2	176.3	75.1	0	0	0	0	111.4	D702 N836	D702-S834 PolarHBondContact OD2-OG 3.45Å; S834-N836 PolarHBondContact O-N 3.37Å
835	S	62.9	Low	87.5	Confident	124 Å²	124	44.5 Å²	44.5	87%	0.867	24%	0.244	S	C	*	.	S	Bend	trans	-59.8	-3.7	-171.8	58.7	0	0	0	0	117.6
836	N	66.4	Low	87.6	Confident	82 Å²	82	44.3 Å²	44.3	44%	0.439	24%	0.243	S	C	.	.			trans	-110.5	59.2	-174.9	-157.8	-9.6	0	0	0	112.6	K701 S834 S838	K701-N836 PolarHBondContact NZ-ND2 2.67Å; K701-N836 PolarHBondContact NZ-OD1 2.9Å; S834-N836 PolarHBondContact O-N 3.37Å; N836-S838 PolarHBondContact O-N 3.02Å; N836-S838 PolarHBondContact OD1-OG 2.71Å
837	L	79.7	Confident	87.7	Confident	20 Å²	20	42.7 Å²	42.7	11%	0.105	24%	0.235	C	C	.	.			trans	-77.9	44.8	177.7	-63.9	173.6	0	0	0	112.8	Y298 F403 D702 L833	Y298-L837 WeakPolarHBondContact O-CD1 3.48Å; F403-L837 HydrophobicContact CE1-CB 4.28Å; F403-L837 WeakPolarHBondContact CE1-O 3.41Å; F403-L837 HydrophobicContact CZ-CB 4.05Å; F403-L837 HydrophobicContact CZ-CD2 4.49Å; D702-L837 HydrophobicContact CB-CD2 3.8Å; L833-L837 HydrophobicContact CB-CD1 4.33Å; L833-L837 HydrophobicContact CB-CD2 3.83Å; L833-L837 HydrophobicContact CB-CG 4.46Å; L833-L837 HydrophobicContact CD1-CD1 4.42Å; L833-L837 HydrophobicContact CD1-CD2 3.59Å; L833-L837 HydrophobicContact CG-CD2 4.31Å
838	S	80.1	Confident	87.9	Confident	33 Å²	33	43.3 Å²	43.3	23%	0.231	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-86.2	136.5	172	64.3	0	0	0	0	110.3	N836	N836-S838 PolarHBondContact O-N 3.02Å; N836-S838 PolarHBondContact OD1-OG 2.71Å
839	I	89.9	Confident	88.1	Confident	17 Å²	17	45.1 Å²	45.1	9%	0.087	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-87.7	142.7	163.2	64.2	175.9	0	0	0	111	K402 F403 H405 G703 V707 C844	K402-I839 WeakPolarHBondContact O-CD1 3.16Å; K402-I839 WeakPolarHBondContact O-CG1 3.49Å; F403-I839 HydrophobicContact CD1-CG2 3.73Å; F403-I839 HydrophobicContact CE1-CG2 3.68Å; H405-I839 HydrophobicContact CB-CD1 4.18Å; G703-I839 WeakPolarHBondContact O-CG2 3.45Å; V707-I839 HydrophobicContact CB-CG2 4.47Å; V707-I839 HydrophobicContact CG2-CG2 3.93Å; I839-C844 WeakPolarHBondContact CD1-SG 3.23Å
840	S	89.9	Confident	88.6	Confident	11 Å²	11	43.7 Å²	43.7	8%	0.077	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-84.7	148.6	177.8	93.4	0	0	0	0	111.9	D699 D704 K842 S843 C844	D699-S840 VanDerWaalsContact OD2-CB 3.3Å; D699-S840 WeakPolarHBondContact OD2-CB 3.47Å; D704-S840 PolarHBondContact OD1-N 3.24Å; S840-K842 PolarHBondContact O-N 3.24Å; S840-K842 PolarHBondContact OG-N 2.97Å; S840-S843 WeakPolarHBondContact O-CB 3.45Å; S840-S843 PolarHBondContact O-N 3.4Å; S840-S843 WeakPolarHBondContact OG-CB 3.11Å; S840-S843 PolarHBondContact OG-N 3.21Å; S840-S843 PolarHBondContact OG-OG 2.98Å; S840-C844 PolarHBondContact O-N 3.33Å; S840-C844 PolarHBondContact O-SG 2.69Å
841	E	91.4	Very high	88.9	Confident	134 Å²	134	44 Å²	44	63%	0.626	23%	0.229	S	C	*	.	H	α-helix	trans	-60	-35.7	175.6	-169.5	-165.7	152	0	0	111.5	C844 K845	E841-C844 WeakPolarHBondContact O-CB 3.16Å; E841-C844 PolarHBondContact O-N 3.29Å; E841-K845 WeakPolarHBondContact O-CG 3.5Å; E841-K845 PolarHBondContact O-N 3.45Å; E841-K845 VanDerWaalsContact OE1-CE 3.24Å; E841-K845 WeakPolarHBondContact OE1-CE 3.37Å; E841-K845 IonicContact OE1-NZ 3.43Å; E841-K845 PolarHBondContact OE1-NZ 2.82Å
842	K	94.4	Very high	89.1	Confident	108 Å²	108	50.5 Å²	50.5	47%	0.47	26%	0.258	S	S	.	.	H	α-helix	trans	-67.8	-41.7	177.9	-68.8	167.7	174	-179.2	0	111.3	N696 S840 C844 K845 S846	N696-K842 WeakPolarHBondContact O-CD 3.29Å; S840-K842 PolarHBondContact O-N 3.24Å; S840-K842 PolarHBondContact OG-N 2.97Å; K842-C844 VanDerWaalsContact C-N 3.34Å; K842-K845 PolarHBondContact O-N 3.44Å; K842-S846 PolarHBondContact O-N 2.97Å; K842-S846 PolarHBondContact O-OG 3Å
843	S	94.6	Very high	89.4	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-42.4	173.4	-52.6	0	0	0	0	111	W695 D704 S840 K845 S846 M847	W695-S843 WeakPolarHBondContact CZ3-O 3.34Å; D704-S843 VanDerWaalsContact CG-OG 3.29Å; D704-S843 WeakPolarHBondContact OD1-CB 3.47Å; D704-S843 PolarHBondContact OD1-OG 3.09Å; S840-S843 WeakPolarHBondContact O-CB 3.45Å; S840-S843 PolarHBondContact O-N 3.4Å; S840-S843 WeakPolarHBondContact OG-CB 3.11Å; S840-S843 PolarHBondContact OG-N 3.21Å; S840-S843 PolarHBondContact OG-OG 2.98Å; S843-K845 VanDerWaalsContact C-N 3.31Å; S843-K845 PolarHBondContact O-N 3.17Å; S843-S846 PolarHBondContact O-N 3.32Å; S843-M847 WeakPolarHBondContact O-CG 3.27Å; S843-M847 PolarHBondContact O-N 3.07Å
844	C	94.6	Very high	89.8	Confident	8 Å²	8	47.5 Å²	47.5	5%	0.054	25%	0.248	C	C	.	.	H	α-helix	trans	-56.2	-47.5	175.2	-64.7	0	0	0	0	111.2	I839 S840 E841 K842 S846 M847 Q848	I839-C844 WeakPolarHBondContact CD1-SG 3.23Å; S840-C844 PolarHBondContact O-N 3.33Å; S840-C844 PolarHBondContact O-SG 2.69Å; E841-C844 WeakPolarHBondContact O-CB 3.16Å; E841-C844 PolarHBondContact O-N 3.29Å; K842-C844 VanDerWaalsContact C-N 3.34Å; C844-S846 PolarHBondContact O-N 2.73Å; C844-M847 PolarHBondContact O-N 2.68Å; C844-Q848 WeakPolarHBondContact O-CB 3.41Å; C844-Q848 WeakPolarHBondContact O-CG 3.49Å; C844-Q848 PolarHBondContact O-N 2.72Å
845	K	95.1	Very high	90.8	Very high	111 Å²	111	46.7 Å²	46.7	48%	0.483	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-43.3	176.7	-71.1	174.7	-174.4	169.3	0	112.5	E841 K842 S843 Q848 Q849	E841-K845 WeakPolarHBondContact O-CG 3.5Å; E841-K845 PolarHBondContact O-N 3.45Å; E841-K845 VanDerWaalsContact OE1-CE 3.24Å; E841-K845 WeakPolarHBondContact OE1-CE 3.37Å; E841-K845 IonicContact OE1-NZ 3.43Å; E841-K845 PolarHBondContact OE1-NZ 2.82Å; K842-K845 PolarHBondContact O-N 3.44Å; S843-K845 VanDerWaalsContact C-N 3.31Å; S843-K845 PolarHBondContact O-N 3.17Å; K845-Q848 PolarHBondContact O-N 3.2Å; K845-Q849 WeakPolarHBondContact O-CB 3.44Å; K845-Q849 PolarHBondContact O-N 3.22Å
846	S	96.9	Very high	92.4	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-59.3	-46.3	174.8	-73.4	0	0	0	0	111.7	A694 K842 S843 C844 Q849 T850	A694-S846 WeakPolarHBondContact O-CB 3.3Å; A694-S846 PolarHBondContact O-OG 3.45Å; K842-S846 PolarHBondContact O-N 2.97Å; K842-S846 PolarHBondContact O-OG 3Å; S843-S846 PolarHBondContact O-N 3.32Å; C844-S846 PolarHBondContact O-N 2.73Å; S846-Q849 PolarHBondContact O-N 3.39Å; S846-T850 PolarHBondContact O-N 3.46Å; S846-T850 PolarHBondContact O-OG1 2.95Å
847	M	97.1	Very high	93.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-44.9	177.7	-72.1	-175	-70.9	0	0	112.2	I406 W695 V707 T708 I712 S843 C844 Q849 T850 I851	I406-M847 HydrophobicContact CD1-CB 3.87Å; I406-M847 HydrophobicContact CD1-CE 4.18Å; I406-M847 HydrophobicContact CD1-CG 4.4Å; I406-M847 HydrophobicContact CD1-SD 3.78Å; I406-M847 HydrophobicContact CG1-CB 4.14Å; I406-M847 HydrophobicContact CG1-CE 4.33Å; W695-M847 HydrophobicContact CH2-CG 3.71Å; W695-M847 HydrophobicContact CH2-SD 4.14Å; W695-M847 HydrophobicContact CZ3-CG 3.85Å; V707-M847 HydrophobicContact CB-CE 4.45Å; V707-M847 HydrophobicContact CB-SD 4.3Å; V707-M847 HydrophobicContact CG1-CE 3.97Å; V707-M847 HydrophobicContact CG1-SD 3.85Å; T708-M847 PolarHBondContact OG1-SD 3.13Å; T708-M847 VanDerWaalsContact OG1-SD 3.38Å; I712-M847 HydrophobicContact CD1-CB 3.98Å; I712-M847 HydrophobicContact CD1-CG 4.05Å; S843-M847 WeakPolarHBondContact O-CG 3.27Å; S843-M847 PolarHBondContact O-N 3.07Å; C844-M847 PolarHBondContact O-N 2.68Å; M847-Q849 VanDerWaalsContact C-N 3.34Å; M847-Q849 PolarHBondContact O-N 3.02Å; M847-T850 PolarHBondContact O-N 3.02Å; M847-I851 WeakPolarHBondContact O-CD1 3.28Å; M847-I851 VanDerWaalsContact O-CG1 3.29Å; M847-I851 WeakPolarHBondContact O-CG1 3.23Å; M847-I851 PolarHBondContact O-N 3.26Å
848	Q	96.1	Very high	94.7	Very high	54 Å²	54	46.6 Å²	46.6	25%	0.252	23%	0.225	S	C	.	.	H	α-helix	trans	-58.8	-45.1	177.6	-74.9	163.3	-1.5	0	0	111.4	I406 C844 K845 I851 E852	I406-Q848 VanDerWaalsContact O-CG 3.25Å; I406-Q848 WeakPolarHBondContact O-CG 3.43Å; I406-Q848 PolarHBondContact O-NE2 2.93Å; C844-Q848 WeakPolarHBondContact O-CB 3.41Å; C844-Q848 WeakPolarHBondContact O-CG 3.49Å; C844-Q848 PolarHBondContact O-N 2.72Å; K845-Q848 PolarHBondContact O-N 3.2Å; Q848-I851 PolarHBondContact O-N 3.43Å; Q848-E852 WeakPolarHBondContact O-CB 3.2Å; Q848-E852 PolarHBondContact O-N 3.35Å
849	Q	96.3	Very high	95.5	Very high	59 Å²	59	47.5 Å²	47.5	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-61.9	-45.3	176.1	-172.9	-176.6	3.9	0	0	111.6	S678 K845 S846 M847 I851 E852 I853	S678-Q849 PolarHBondContact OG-NE2 3.02Å; S678-Q849 PolarHBondContact OG-OE1 3.28Å; K845-Q849 WeakPolarHBondContact O-CB 3.44Å; K845-Q849 PolarHBondContact O-N 3.22Å; S846-Q849 PolarHBondContact O-N 3.39Å; M847-Q849 VanDerWaalsContact C-N 3.34Å; M847-Q849 PolarHBondContact O-N 3.02Å; Q849-I851 VanDerWaalsContact C-N 3.31Å; Q849-I851 PolarHBondContact O-N 3.02Å; Q849-E852 PolarHBondContact O-N 3.33Å; Q849-I853 HydrophobicContact CG-CD1 3.97Å; Q849-I853 WeakPolarHBondContact O-CD1 3.38Å; Q849-I853 VanDerWaalsContact O-CG1 3.27Å; Q849-I853 WeakPolarHBondContact O-CG1 3.2Å; Q849-I853 PolarHBondContact O-N 2.59Å; Q849-I853 VanDerWaalsContact O-N 3.16Å
850	T	98.1	Very high	95.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-58.3	-44.7	174.8	-62.5	0	0	0	0	110.9	I691 H692 I693 I712 S846 M847 I853 H854	I691-T850 HydrophobicContact CG2-CG2 4.06Å; H692-T850 PolarHBondContact O-OG1 3.19Å; H692-T850 VanDerWaalsContact O-OG1 3.05Å; I693-T850 HydrophobicContact CG1-CG2 4.05Å; I712-T850 HydrophobicContact CD1-CG2 4.37Å; I712-T850 HydrophobicContact CG2-CG2 4.28Å; S846-T850 PolarHBondContact O-N 3.46Å; S846-T850 PolarHBondContact O-OG1 2.95Å; M847-T850 PolarHBondContact O-N 3.02Å; T850-I853 PolarHBondContact O-N 3.36Å; T850-H854 WeakPolarHBondContact O-CB 3.33Å; T850-H854 PolarHBondContact O-CD2 3.43Å; T850-H854 VanDerWaalsContact O-CD2 3.29Å; T850-H854 PolarHBondContact O-N 2.66Å
851	I	97.2	Very high	96.2	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-44.9	-179.1	-70.2	160.1	0	0	0	111.6	I406 I712 M847 Q848 Q849 I853 H854 S855 F864	I406-I851 HydrophobicContact CD1-CD1 3.79Å; I406-I851 HydrophobicContact CG1-CD1 4.22Å; I712-I851 HydrophobicContact CD1-CD1 4Å; I712-I851 HydrophobicContact CD1-CG1 3.86Å; I712-I851 HydrophobicContact CG1-CD1 3.98Å; I712-I851 HydrophobicContact CG1-CG1 3.85Å; M847-I851 WeakPolarHBondContact O-CD1 3.28Å; M847-I851 VanDerWaalsContact O-CG1 3.29Å; M847-I851 WeakPolarHBondContact O-CG1 3.23Å; M847-I851 PolarHBondContact O-N 3.26Å; Q848-I851 PolarHBondContact O-N 3.43Å; Q849-I851 VanDerWaalsContact C-N 3.31Å; Q849-I851 PolarHBondContact O-N 3.02Å; I851-I853 PolarHBondContact O-N 2.82Å; I851-H854 PolarHBondContact O-N 2.88Å; I851-S855 VanDerWaalsContact O-CB 3.27Å; I851-S855 WeakPolarHBondContact O-CB 3.34Å; I851-S855 PolarHBondContact O-N 2.94Å; I851-S855 PolarHBondContact O-OG 3.11Å; I851-F864 HydrophobicContact CD1-CD1 3.68Å; I851-F864 HydrophobicContact CD1-CE1 3.69Å; I851-F864 HydrophobicContact CD1-CG 4.14Å; I851-F864 HydrophobicContact CD1-CZ 4.15Å; I851-F864 HydrophobicContact CG2-CB 3.46Å; I851-F864 VanDerWaalsContact CG2-CB 3.46Å; I851-F864 HydrophobicContact CG2-CD1 4.27Å; I851-F864 HydrophobicContact CG2-CD2 3.8Å; I851-F864 HydrophobicContact CG2-CG 3.62Å
852	E	96	Very high	96.3	Very high	144 Å²	144	44.5 Å²	44.5	67%	0.673	21%	0.211	S	C	*	.	H	α-helix	trans	-55.7	-42.2	177	-179.5	-179	-172.4	0	0	111.5	Q848 Q849 S855 N856	Q848-E852 WeakPolarHBondContact O-CB 3.2Å; Q848-E852 PolarHBondContact O-N 3.35Å; Q849-E852 PolarHBondContact O-N 3.33Å; E852-S855 PolarHBondContact O-OG 3.23Å; E852-N856 PolarHBondContact O-ND2 3.4Å
853	I	97.1	Very high	96.1	Very high	33 Å²	33	40.2 Å²	40.2	17%	0.169	20%	0.197	C	C	.	.	H	α-helix	trans	-71.1	-48.5	179.1	-67.7	166.5	0	0	0	110.5	S678 Q679 C681 Q849 T850 I851 N856	S678-I853 VanDerWaalsContact O-CD1 3.28Å; S678-I853 WeakPolarHBondContact O-CD1 3.45Å; Q679-I853 HydrophobicContact CG-CD1 4.37Å; C681-I853 WeakPolarHBondContact SG-CG2 3.43Å; Q849-I853 HydrophobicContact CG-CD1 3.97Å; Q849-I853 WeakPolarHBondContact O-CD1 3.38Å; Q849-I853 VanDerWaalsContact O-CG1 3.27Å; Q849-I853 WeakPolarHBondContact O-CG1 3.2Å; Q849-I853 PolarHBondContact O-N 2.59Å; Q849-I853 VanDerWaalsContact O-N 3.16Å; T850-I853 PolarHBondContact O-N 3.36Å; I851-I853 PolarHBondContact O-N 2.82Å; I853-N856 PolarHBondContact O-ND2 3.24Å
854	H	97.8	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-87.3	-12.5	-169.2	-75	-73.5	0	0	0	115.2	T690 T850 I851 N856 Y857 W858 L861	T690-H854 PolarHBondContact O-CE1 3.03Å; T850-H854 WeakPolarHBondContact O-CB 3.33Å; T850-H854 PolarHBondContact O-CD2 3.43Å; T850-H854 VanDerWaalsContact O-CD2 3.29Å; T850-H854 PolarHBondContact O-N 2.66Å; I851-H854 PolarHBondContact O-N 2.88Å; H854-N856 PolarHBondContact O-N 3.15Å; H854-N856 VanDerWaalsContact O-N 3.16Å; H854-Y857 AromaticContact ND1-CD2 3.73Å; H854-Y857 PolarHBondContact O-N 3.21Å; H854-W858 PolarHBondContact O-N 3.07Å; H854-L861 HydrophobicContact CB-CD1 3.66Å
855	S	96.3	Very high	95.4	Very high	30 Å²	30	46.4 Å²	46.4	21%	0.21	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.5	170.5	71.2	0	0	0	0	112.8	I851 E852 Y857	I851-S855 VanDerWaalsContact O-CB 3.27Å; I851-S855 WeakPolarHBondContact O-CB 3.34Å; I851-S855 PolarHBondContact O-N 2.94Å; I851-S855 PolarHBondContact O-OG 3.11Å; E852-S855 PolarHBondContact O-OG 3.23Å; S855-Y857 VanDerWaalsContact C-N 3.26Å; S855-Y857 PolarHBondContact O-N 3.47Å
856	N	96.1	Very high	95	Very high	123 Å²	123	44.2 Å²	44.2	66%	0.658	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.2	173	-61.6	-63.7	0	0	0	113.5	E852 I853 H854	E852-N856 PolarHBondContact O-ND2 3.4Å; I853-N856 PolarHBondContact O-ND2 3.24Å; H854-N856 PolarHBondContact O-N 3.15Å; H854-N856 VanDerWaalsContact O-N 3.16Å
857	Y	97.2	Very high	94.5	Very high	88 Å²	88	44.3 Å²	44.3	35%	0.345	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-25.4	-175.6	-51.7	-65.5	0	0	0	113.3	C681 L687 H854 S855	C681-Y857 HydrophobicContact CB-CE2 4.08Å; L687-Y857 HydrophobicContact CD2-CE1 4Å; L687-Y857 HydrophobicContact CG-CE1 3.8Å; H854-Y857 AromaticContact ND1-CD2 3.73Å; H854-Y857 PolarHBondContact O-N 3.21Å; S855-Y857 VanDerWaalsContact C-N 3.26Å; S855-Y857 PolarHBondContact O-N 3.47Å
858	W	97.5	Very high	93.7	Very high	13 Å²	13	48.1 Å²	48.1	5%	0.049	25%	0.246	C	C	.	.			trans	-126.7	119.1	-171.7	-55.3	101	0	0	0	111.2	L657 G688 I691 I716 E719 F720 H854 M860 L861	L657-W858 HydrophobicContact CD1-CH2 4.03Å; L657-W858 HydrophobicContact CD1-CZ2 3.65Å; L657-W858 HydrophobicContact CD2-CH2 4.46Å; G688-W858 WeakPolarHBondContact O-CZ2 3.15Å; G688-W858 PolarHBondContact O-NE1 2.78Å; G688-W858 VanDerWaalsContact O-NE1 3.15Å; I691-W858 HydrophobicContact CD1-CZ2 4.31Å; I716-W858 HydrophobicContact CD1-CG 4.44Å; I716-W858 HydrophobicContact CG1-CB 4.24Å; I716-W858 HydrophobicContact CG1-CD2 4.15Å; I716-W858 HydrophobicContact CG1-CG 3.91Å; I716-W858 HydrophobicContact CG2-CD2 3.82Å; I716-W858 HydrophobicContact CG2-CE3 3.97Å; I716-W858 HydrophobicContact CG2-CG 4.44Å; I716-W858 HydrophobicContact CG2-CH2 4.03Å; I716-W858 HydrophobicContact CG2-CZ2 3.89Å; I716-W858 HydrophobicContact CG2-CZ3 4.06Å; E719-W858 HydrophobicContact CB-CE3 4.11Å; E719-W858 HydrophobicContact CB-CZ3 4.46Å; E719-W858 HydrophobicContact CG-CE3 3.99Å; E719-W858 HydrophobicContact CG-CZ3 4.4Å; E719-W858 WeakPolarHBondContact OE2-CA 3.41Å; F720-W858 HydrophobicContact CB-CH2 4.01Å; F720-W858 HydrophobicContact CB-CZ3 3.88Å; F720-W858 HydrophobicContact CD2-CH2 4.03Å; F720-W858 HydrophobicContact CD2-CZ3 4.47Å; F720-W858 HydrophobicContact CG-CH2 4.35Å; H854-W858 PolarHBondContact O-N 3.07Å; W858-M860 VanDerWaalsContact C-N 3.26Å; W858-M860 PolarHBondContact O-N 2.6Å; W858-L861 HydrophobicContact CB-CB 4.38Å; W858-L861 HydrophobicContact CB-CD1 4.23Å; W858-L861 HydrophobicContact CB-CG 4.01Å; W858-L861 PolarHBondContact O-N 3.48Å
859	N	96.5	Very high	92.8	Very high	52 Å²	52	46.6 Å²	46.6	28%	0.278	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-63.4	-33.9	178.4	-63.9	-67.9	0	0	0	112.2	E719 L861 K862	E719-N859 VanDerWaalsContact CD-N 3.29Å; E719-N859 WeakPolarHBondContact OE1-CB 3.4Å; E719-N859 PolarHBondContact OE1-N 3.32Å; E719-N859 PolarHBondContact OE1-ND2 2.93Å; E719-N859 PolarHBondContact OE2-N 2.84Å; N859-L861 PolarHBondContact O-N 3.03Å; N859-K862 WeakPolarHBondContact O-CB 3.38Å; N859-K862 PolarHBondContact O-N 2.96Å; N859-K862 VanDerWaalsContact O-N 3.1Å; N859-K862 PolarHBondContact OD1-NZ 3.37Å
860	M	97.1	Very high	91.7	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-66.9	-14.7	179.1	-64	-61.4	-58.9	0	0	113.4	T287 R291 M379 I382 P715 E719 W858	T287-M860 VanDerWaalsContact OG1-CE 3.31Å; T287-M860 WeakPolarHBondContact OG1-CE 3.42Å; R291-M860 PolarHBondContact NH2-O 2.76Å; M379-M860 HydrophobicContact CB-SD 4Å; M379-M860 HydrophobicContact CG-SD 4.13Å; M379-M860 HydrophobicContact SD-SD 4.49Å; I382-M860 HydrophobicContact CD1-CE 4.04Å; I382-M860 HydrophobicContact CD1-SD 3.65Å; P715-M860 HydrophobicContact CB-CB 3.81Å; E719-M860 HydrophobicContact CB-CG 3.83Å; E719-M860 HydrophobicContact CG-CG 4.44Å; E719-M860 WeakPolarHBondContact OE2-CG 3.21Å; E719-M860 PolarHBondContact OE2-N 3.46Å; W858-M860 VanDerWaalsContact C-N 3.26Å; W858-M860 PolarHBondContact O-N 2.6Å
861	L	96.8	Very high	90.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-98.2	2.8	174.8	-60.3	-170.8	0	0	0	113.9	P715 I716 H854 W858 N859 F864	P715-L861 HydrophobicContact CB-CD2 4.47Å; I716-L861 HydrophobicContact CD1-CD1 3.65Å; I716-L861 HydrophobicContact CD1-CD2 4.33Å; I716-L861 HydrophobicContact CD1-CG 4.21Å; I716-L861 HydrophobicContact CG1-CD1 3.98Å; I716-L861 HydrophobicContact CG1-CD2 4.16Å; I716-L861 HydrophobicContact CG1-CG 4.02Å; H854-L861 HydrophobicContact CB-CD1 3.66Å; W858-L861 HydrophobicContact CB-CB 4.38Å; W858-L861 HydrophobicContact CB-CD1 4.23Å; W858-L861 HydrophobicContact CB-CG 4.01Å; W858-L861 PolarHBondContact O-N 3.48Å; N859-L861 PolarHBondContact O-N 3.03Å; L861-F864 WeakPolarHBondContact O-CD2 3.43Å
862	K	94.5	Very high	89.2	Confident	98 Å²	98	53 Å²	53	43%	0.426	27%	0.267	S	S	.	.			trans	-75	154	176.9	-68.6	178.7	176.8	168.7	0	111.8	R291 N859	R291-K862 VanDerWaalsContact CZ-O 3.31Å; R291-K862 PolarHBondContact NH1-O 2.97Å; R291-K862 PolarHBondContact NH2-O 3.13Å; N859-K862 WeakPolarHBondContact O-CB 3.38Å; N859-K862 PolarHBondContact O-N 2.96Å; N859-K862 VanDerWaalsContact O-N 3.1Å; N859-K862 PolarHBondContact OD1-NZ 3.37Å
863	G	89	Confident	88	Confident	17 Å²	17	50.6 Å²	50.6	18%	0.175	26%	0.256	C	S	.	.			trans	75.6	35.4	178.1	0	0	0	0	0	114.3	R291 D865	R291-G863 PolarHBondContact NH1-O 3.36Å; R291-G863 VanDerWaalsContact NH1-O 3.1Å; G863-D865 VanDerWaalsContact C-N 3.31Å
864	F	89.1	Confident	86.8	Confident	23 Å²	23	54.2 Å²	54.2	10%	0.101	28%	0.276	C	S	.	.			trans	-99.3	25.3	165.4	-84.6	-97.3	0	0	0	111.3	R291 I406 Y407 N711 I851 L861	R291-F864 HydrophobicContact CG-CZ 4.38Å; R291-F864 VanDerWaalsContact NE-CE2 3.34Å; R291-F864 VanDerWaalsContact NH2-CE2 3.34Å; I406-F864 HydrophobicContact CD1-CE1 4.32Å; Y407-F864 AromaticContact CD1-CD1 3.68Å; Y407-F864 HydrophobicContact CD1-CD1 3.68Å; Y407-F864 HydrophobicContact CD1-CE1 4.17Å; Y407-F864 HydrophobicContact CD1-CG 4.42Å; Y407-F864 AromaticContact CE1-CD1 3.14Å; Y407-F864 HydrophobicContact CE1-CD1 3.14Å; Y407-F864 AromaticContact CE1-CE1 3.29Å; Y407-F864 HydrophobicContact CE1-CE1 3.29Å; Y407-F864 AromaticContact CE1-CG 3.87Å; Y407-F864 HydrophobicContact CE1-CG 3.87Å; Y407-F864 HydrophobicContact CE1-CZ 4.12Å; Y407-F864 HydrophobicContact CE2-CE1 4.39Å; Y407-F864 AromaticContact CZ-CD1 3.79Å; Y407-F864 AromaticContact CZ-CE1 3.4Å; Y407-F864 VanDerWaalsContact CZ-CE1 3.4Å; Y407-F864 VanDerWaalsContact OH-CE1 3.23Å; Y407-F864 WeakPolarHBondContact OH-CE1 3.31Å; Y407-F864 WeakPolarHBondContact OH-CZ 3.45Å; N711-F864 HydrophobicContact CB-CE1 4.35Å; N711-F864 HydrophobicContact CB-CZ 4.06Å; I851-F864 HydrophobicContact CD1-CD1 3.68Å; I851-F864 HydrophobicContact CD1-CE1 3.69Å; I851-F864 HydrophobicContact CD1-CG 4.14Å; I851-F864 HydrophobicContact CD1-CZ 4.15Å; I851-F864 HydrophobicContact CG2-CB 3.46Å; I851-F864 VanDerWaalsContact CG2-CB 3.46Å; I851-F864 HydrophobicContact CG2-CD1 4.27Å; I851-F864 HydrophobicContact CG2-CD2 3.8Å; I851-F864 HydrophobicContact CG2-CG 3.62Å; L861-F864 WeakPolarHBondContact O-CD2 3.43Å
865	D	84.9	Confident	85.4	Confident	118 Å²	118	55.3 Å²	55.3	63%	0.631	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-57.9	151.3	177.7	-60.4	-61.6	0	0	0	110.8	G863 V867	G863-D865 VanDerWaalsContact C-N 3.31Å; D865-V867 PolarHBondContact O-N 2.94Å; D865-V867 VanDerWaalsContact O-N 3.14Å
866	P	86.9	Confident	84.2	Confident	64 Å²	64	54.4 Å²	54.4	42%	0.416	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-53	123	171.1	-25.4	33.8	0	0	0	111.5	P408 L410 N868	P408-P866 HydrophobicContact CG-CB 4.07Å; P408-P866 HydrophobicContact CG-CG 4.02Å; P408-P866 CarbonylContact O-C 3.6Å; P408-P866 VanDerWaalsContact O-CA 3.27Å; P408-P866 WeakPolarHBondContact O-CA 2.93Å; L410-P866 HydrophobicContact CD1-CB 3.97Å; L410-P866 HydrophobicContact CD2-CB 3.5Å; L410-P866 VanDerWaalsContact CD2-CB 3.5Å; L410-P866 HydrophobicContact CD2-CG 4.33Å; L410-P866 HydrophobicContact CG-CB 3.53Å; P866-N868 PolarHBondContact O-N 3.48Å
867	V	86.6	Confident	82.7	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.036	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-80.8	120.7	-174.2	173.9	0	0	0	0	108.7	S391 I394 P408 L409 L410 D865 R869	S391-V867 WeakPolarHBondContact O-CG1 3.35Å; I394-V867 HydrophobicContact CB-CG2 4.46Å; I394-V867 HydrophobicContact CG2-CB 4.39Å; I394-V867 HydrophobicContact CG2-CG1 4.42Å; I394-V867 HydrophobicContact CG2-CG2 4.05Å; P408-V867 PolarHBondContact O-N 3.44Å; L409-V867 WeakPolarHBondContact CA-O 3.37Å; L409-V867 HydrophobicContact CD2-CB 3.97Å; L409-V867 HydrophobicContact CD2-CG1 4.17Å; L410-V867 PolarHBondContact N-O 2.73Å; D865-V867 PolarHBondContact O-N 2.94Å; D865-V867 VanDerWaalsContact O-N 3.14Å; V867-R869 PolarHBondContact O-N 3.08Å
868	N	80.3	Confident	81.1	Confident	79 Å²	79	58.8 Å²	58.8	42%	0.422	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-78.6	118.4	170.4	-169.7	-4	0	0	0	108.8	L410 N411 P866 F870	L410-N868 HydrophobicContact CD1-CB 4.44Å; N411-N868 PolarHBondContact ND2-OD1 3.34Å; P866-N868 PolarHBondContact O-N 3.48Å; N868-F870 PolarHBondContact O-N 3.49Å
869	R	76.9	Confident	79.1	Confident	23 Å²	23	63 Å²	63	9%	0.087	31%	0.312	C	S	.	.			trans	-71.3	86.9	166	-67.3	-165.5	-159.6	175.1	4.1	108.5	L409 D412 V414 V867	L409-R869 HydrophobicContact CD2-CG 4.36Å; D412-R869 PolarHBondContact O-NH1 3Å; D412-R869 VanDerWaalsContact O-NH1 3.11Å; D412-R869 IonicContact OD1-CZ 3.81Å; D412-R869 IonicContact OD1-NE 3.02Å; D412-R869 PolarHBondContact OD1-NE 3.25Å; D412-R869 IonicContact OD1-NH2 3.62Å; D412-R869 PolarHBondContact OD1-NH2 2.83Å; V414-R869 HydrophobicContact CB-CB 4.11Å; V414-R869 WeakPolarHBondContact CG1-O 3.34Å; V414-R869 WeakPolarHBondContact CG2-O 3.4Å; V867-R869 PolarHBondContact O-N 3.08Å
870	F	73.3	Confident	77.1	Confident	134 Å²	134	63 Å²	63	59%	0.588	31%	0.314	S	S	*	.			trans	-125.6	129.8	172.4	179.5	-97.7	0	0	0	108.2	N868	N868-F870 PolarHBondContact O-N 3.49Å
871	Y	72	Confident	74.8	Confident	9 Å²	9	68 Å²	68	4%	0.035	34%	0.339	C	S	.	.			trans	-104.2	122	177.3	-59.2	-72.3	0	0	0	108.5	T396 V414 L415 F416 P417 Q873	T396-Y871 HydrophobicContact CG2-CE1 3.73Å; V414-Y871 HydrophobicContact CG1-CD2 4.08Å; V414-Y871 HydrophobicContact CG1-CE2 3.93Å; L415-Y871 WeakPolarHBondContact O-CE2 3.14Å; F416-Y871 WeakPolarHBondContact CD1-OH 3.42Å; P417-Y871 HydrophobicContact CB-CD2 4.46Å; P417-Y871 HydrophobicContact CB-CG 4.18Å; P417-Y871 HydrophobicContact CG-CD1 3.78Å; P417-Y871 HydrophobicContact CG-CD2 4.24Å; P417-Y871 HydrophobicContact CG-CE1 4.16Å; P417-Y871 HydrophobicContact CG-CG 3.82Å; Y871-Q873 PolarHBondContact O-N 3.26Å
872	D	70.4	Confident	72.4	Confident	56 Å²	56	69.2 Å²	69.2	30%	0.299	35%	0.352	S	S	.	.			trans	-62.6	104.7	174.7	177.2	17.5	0	0	0	110	D874 S875 I876	D872-D874 PolarHBondContact O-N 2.9Å; D872-D874 WeakPolarHBondContact OD1-CB 3.26Å; D872-D874 PolarHBondContact OD1-N 3.05Å; D872-S875 PolarHBondContact O-N 3.09Å; D872-S875 WeakPolarHBondContact OD2-CB 3.35Å; D872-S875 PolarHBondContact OD2-N 3.49Å; D872-S875 PolarHBondContact OD2-OG 3.22Å; D872-I876 WeakPolarHBondContact O-CD1 3.13Å; D872-I876 WeakPolarHBondContact O-CG1 3.14Å; D872-I876 PolarHBondContact O-N 2.98Å
873	Q	72.5	Confident	69.7	Low	94 Å²	94	71.6 Å²	71.6	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-62.5	-28	178.4	-67.3	-67.2	-41.7	0	0	111.6	Y871 R877	Y871-Q873 PolarHBondContact O-N 3.26Å; Q873-R877 WeakPolarHBondContact O-CB 3.36Å; Q873-R877 WeakPolarHBondContact O-CG 3.14Å; Q873-R877 PolarHBondContact O-N 3.44Å
874	D	70.4	Confident	67	Low	109 Å²	109	77.9 Å²	77.9	58%	0.583	39%	0.388	S	S	*	.	H	α-helix	trans	-73.3	-45.6	177.6	-68.8	-26.3	0	0	0	110.4	D872 I876 R877 R878	D872-D874 PolarHBondContact O-N 2.9Å; D872-D874 WeakPolarHBondContact OD1-CB 3.26Å; D872-D874 PolarHBondContact OD1-N 3.05Å; D874-I876 VanDerWaalsContact C-N 3.26Å; D874-I876 PolarHBondContact O-N 2.97Å; D874-R877 CarbonylContact O-C 3.53Å; D874-R877 PolarHBondContact O-N 3.11Å; D874-R877 VanDerWaalsContact O-N 3.1Å; D874-R878 WeakPolarHBondContact O-CG 3.41Å; D874-R878 PolarHBondContact O-N 3.13Å
875	S	69.6	Low	64.1	Low	24 Å²	24	83.2 Å²	83.2	17%	0.168	42%	0.422	C	S	.	.	H	α-helix	trans	-60.8	-31.1	171.8	-69	0	0	0	0	113.7	R254 D872	R254-S875 PolarHBondContact NE-O 3.45Å; D872-S875 PolarHBondContact O-N 3.09Å; D872-S875 WeakPolarHBondContact OD2-CB 3.35Å; D872-S875 PolarHBondContact OD2-N 3.49Å; D872-S875 PolarHBondContact OD2-OG 3.22Å
876	I	70.3	Confident	61.4	Low	10 Å²	10	87.6 Å²	87.6	5%	0.051	43%	0.43	C	S	.	.	H	α-helix	trans	-71	-39.1	172.5	-66.3	159.8	0	0	0	111.5	P417 D872 D874	P417-I876 HydrophobicContact CB-CD1 3.37Å; P417-I876 HydrophobicContact CB-CG1 4.29Å; P417-I876 HydrophobicContact CG-CD1 4.1Å; D872-I876 WeakPolarHBondContact O-CD1 3.13Å; D872-I876 WeakPolarHBondContact O-CG1 3.14Å; D872-I876 PolarHBondContact O-N 2.98Å; D874-I876 VanDerWaalsContact C-N 3.26Å; D874-I876 PolarHBondContact O-N 2.97Å
877	R	64.1	Low	58.5	Low	180 Å²	180	93.5 Å²	93.5	68%	0.679	45%	0.452	S	S	*	.	H	α-helix	trans	-83.6	-17.1	-179	-72.1	172.8	-176.2	-168.5	1.9	114.2	Q873 D874 P879	Q873-R877 WeakPolarHBondContact O-CB 3.36Å; Q873-R877 WeakPolarHBondContact O-CG 3.14Å; Q873-R877 PolarHBondContact O-N 3.44Å; D874-R877 CarbonylContact O-C 3.53Å; D874-R877 PolarHBondContact O-N 3.11Å; D874-R877 VanDerWaalsContact O-N 3.1Å; R877-P879 VanDerWaalsContact O-CD 3.31Å; R877-P879 WeakPolarHBondContact O-CD 3.32Å; R877-P879 VanDerWaalsContact O-N 3.09Å
878	R	64.8	Low	55.6	Low	124 Å²	124	100 Å²	100	47%	0.468	49%	0.486	S	S	.	.			trans	-54.4	117.1	179.9	-89.5	-179.1	-168.1	-170.1	6.3	108.6	D874	D874-R878 WeakPolarHBondContact O-CG 3.41Å; D874-R878 PolarHBondContact O-N 3.13Å
879	P	55.4	Low	53.4	Low	100 Å²	100	102.1 Å²	102.1	65%	0.649	51%	0.505	S	S	*	.			trans	-63.8	150.8	173.2	25.4	-30.7	0	0	0	109.1	R877 I881	R877-P879 VanDerWaalsContact O-CD 3.31Å; R877-P879 WeakPolarHBondContact O-CD 3.32Å; R877-P879 VanDerWaalsContact O-N 3.09Å; P879-I881 WeakPolarHBondContact O-CG1 3.48Å; P879-I881 PolarHBondContact O-N 3.38Å
880	V	53.5	Low	51	Low	53 Å²	53	108.7 Å²	108.7	32%	0.321	54%	0.537	S	S	.	.			trans	-57.8	104.8	168.9	177.5	0	0	0	0	107.9	R254 D429 V430 G882	R254-V880 HydrophobicContact CB-CG2 4.19Å; D429-V880 HydrophobicContact CB-CG1 4.34Å; V430-V880 HydrophobicContact CB-CG1 4.5Å; V430-V880 HydrophobicContact CG1-CG1 3.04Å; V880-G882 PolarHBondContact O-N 2.96Å; V880-G882 VanDerWaalsContact O-N 3.14Å
881	I	49.9	Very low	48.7	Very low	107 Å²	107	109.6 Å²	109.6	55%	0.549	55%	0.548	S	S	.	.			trans	-83.7	87.4	179.7	-53.4	179.7	0	0	0	107.9	P879 R883	P879-I881 WeakPolarHBondContact O-CG1 3.48Å; P879-I881 PolarHBondContact O-N 3.38Å; I881-R883 PolarHBondContact O-N 2.78Å
882	G	45.5	Very low	46.4	Very low	26 Å²	26	116.2 Å²	116.2	27%	0.268	59%	0.589	S	S	.	*			trans	-65.9	123.6	162.4	0	0	0	0	0	109.1	V880 N884	V880-G882 PolarHBondContact O-N 2.96Å; V880-G882 VanDerWaalsContact O-N 3.14Å; G882-N884 PolarHBondContact O-N 3.17Å
883	R	38	Very low	44.2	Very low	148 Å²	148	119.2 Å²	119.2	56%	0.558	61%	0.61	S	S	*	*			trans	-65.7	75.6	171.6	-81.8	-174.3	-179.4	163.3	5.7	110.6	I881	I881-R883 PolarHBondContact O-N 2.78Å
884	N	31.7	Very low	41.7	Very low	149 Å²	149	120.9 Å²	120.9	80%	0.797	63%	0.626	S	S	*	*			trans	-101	12.1	165.2	-88.7	-30.1	0	0	0	113.2	G882	G882-N884 PolarHBondContact O-N 3.17Å
885	T	29.3	Very low	39.4	Very low	134 Å²	134	122 Å²	122	82%	0.822	64%	0.638	S	S	*	*			trans	-121.8	58.8	174.4	58.8	0	0	0	0	112.6
886	R	28	Very low	37.2	Very low	210 Å²	210	126.2 Å²	126.2	79%	0.792	66%	0.662	S	S	*	*			trans	-114.5	95	147.5	-85.4	-171	175.7	-171.2	0.6	107.8	N888	R886-N888 PolarHBondContact O-N 2.91Å
887	Q	26.7	Very low	34.8	Very low	188 Å²	188	133 Å²	133	88%	0.879	70%	0.697	S	S	*	*			trans	-57.3	122.9	161.1	-73.5	-179.6	-5.9	0	0	107.7
888	N	25.5	Very low	32.8	Very low	142 Å²	142	130.1 Å²	130.1	76%	0.759	70%	0.704	S	S	*	*			trans	-42.7	121.2	176.9	-129.9	-17.7	0	0	0	111.1	R886 Q890	R886-N888 PolarHBondContact O-N 2.91Å; N888-Q890 PolarHBondContact O-N 3.32Å
889	P	33.9	Very low	30.7	Very low	125 Å²	125	129.6 Å²	129.6	81%	0.812	72%	0.72	S	S	*	*	S	Bend	trans	-79	60.6	175.7	32.8	-32.4	0	0	0	110.2
890	Q	26.1	Very low	29.3	Very low	161 Å²	161	129.9 Å²	129.9	75%	0.752	72%	0.724	S	S	*	*			trans	-145.8	72.2	165.1	-71.9	-165.5	-1.4	0	0	108.3	N888	N888-Q890 PolarHBondContact O-N 3.32Å
891	N	25.4	Very low	27.9	Very low	153 Å²	153	132.3 Å²	132.3	82%	0.818	74%	0.743	S	S	*	*			trans	-168.7	69.3	153.8	-93.2	-22.1	0	0	0	108.8	T893	N891-T893 VanDerWaalsContact C-N 3.33Å; N891-T893 PolarHBondContact O-N 3.39Å
892	T	23.3	Very low	26.5	Very low	148 Å²	148	132.6 Å²	132.6	91%	0.908	76%	0.755	S	S	*	*			trans	-66.5	91.8	164	29.6	0	0	0	0	109
893	T	23.5	Very low	25.5	Very low	119 Å²	119	136.5 Å²	136.5	73%	0.73	78%	0.778	S	S	*	*			trans	-102.7	113.1	159.4	-39.6	0	0	0	0	108.6	N891 T895	N891-T893 VanDerWaalsContact C-N 3.33Å; N891-T893 PolarHBondContact O-N 3.39Å; T893-T895 PolarHBondContact O-N 3.48Å
894	T	20.4	Very low	24.7	Very low	129 Å²	129	136.8 Å²	136.8	79%	0.791	79%	0.791	S	S	*	*			trans	-46.1	114.3	175	-36	0	0	0	0	111.3
895	T	23.5	Very low	24.3	Very low	133 Å²	133	135.1 Å²	135.1	82%	0.816	79%	0.786	S	S	*	*			trans	-134.2	117.3	156.8	-23.4	0	0	0	0	109.8	T893	T893-T895 PolarHBondContact O-N 3.48Å
896	T	21.8	Very low	23.9	Very low	112 Å²	112	134.5 Å²	134.5	69%	0.687	78%	0.782	S	S	*	*			trans	-63.3	135.3	178.9	35.6	0	0	0	0	113.7
897	I	19.8	Very low	23.7	Very low	153 Å²	153	131.5 Å²	131.5	79%	0.785	78%	0.78	S	S	*	*			trans	52.5	109.8	134.1	-49.1	171.1	0	0	0	117.4
898	S	22.4	Very low	23.4	Very low	119 Å²	119	129.9 Å²	129.9	83%	0.832	77%	0.773	S	S	*	*				-148.8	113.7	128.4	55.7	0	0	0	0	110.4
899	S	20.9	Very low	23.3	Very low	112 Å²	112	130.9 Å²	130.9	78%	0.783	78%	0.777	S	S	*	*			trans	-62.7	132.5	171	48.5	0	0	0	0	113.2
900	S	25.8	Very low	22.7	Very low	106 Å²	106	131.3 Å²	131.3	74%	0.741	77%	0.773	S	S	*	*			trans	-156.1	110.2	148.5	56.5	0	0	0	0	111.9
901	S	24	Very low	22.6	Very low	104 Å²	104	131 Å²	131	73%	0.727	78%	0.776	S	S	*	*			trans	52.3	96.1	143.1	58.3	0	0	0	0	119.8
902	S	21.9	Very low	22.6	Very low	114 Å²	114	132 Å²	132	80%	0.797	78%	0.776	S	S	*	*				-6	123.2	124.8	0	0	0	0	0	117.3
903	S	24.1	Very low	22.7	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	77%	0.77	S	S	*	*			trans	-134.6	91.8	142.7	55.2	0	0	0	0	108.2	T905	S903-T905 PolarHBondContact O-N 2.92Å
904	N	21.6	Very low	22.9	Very low	154 Å²	154	131.2 Å²	131.2	82%	0.824	77%	0.771	S	S	*	*			trans	-60.3	112.4	165	-75	-18.7	0	0	0	108
905	T	22.9	Very low	23.2	Very low	113 Å²	113	132.3 Å²	132.3	69%	0.693	77%	0.771	S	S	*	*			trans	-117.5	96	161.1	-36.6	0	0	0	0	106.5	S903 I907	S903-T905 PolarHBondContact O-N 2.92Å; T905-I907 PolarHBondContact O-N 2.92Å; T905-I907 VanDerWaalsContact O-N 3.12Å
906	T	21.2	Very low	23.5	Very low	121 Å²	121	132.7 Å²	132.7	74%	0.742	77%	0.772	S	S	*	*			trans	-60.3	105.6	165.7	-43	0	0	0	0	106.7	E908	T906-E908 PolarHBondContact O-N 2.9Å
907	I	23	Very low	23.7	Very low	147 Å²	147	135.6 Å²	135.6	75%	0.754	78%	0.778	S	S	*	*			trans	-84.8	96.8	169.5	-61.8	177.1	0	0	0	105.5	T905 L909	T905-I907 PolarHBondContact O-N 2.92Å; T905-I907 VanDerWaalsContact O-N 3.12Å; I907-L909 PolarHBondContact O-N 3.27Å
908	E	20.7	Very low	23.9	Very low	154 Å²	154	132.9 Å²	132.9	72%	0.72	77%	0.773	S	S	*	*			trans	-63.2	124.2	163.4	-77.2	-178.5	158.9	0	0	108.4	T906 N910	T906-E908 PolarHBondContact O-N 2.9Å; E908-N910 VanDerWaalsContact C-N 3.3Å; E908-N910 PolarHBondContact O-N 3.32Å
909	L	22.3	Very low	24.1	Very low	163 Å²	163	136.7 Å²	136.7	85%	0.853	77%	0.774	S	S	*	*			trans	-66.2	85.5	172.4	-71.3	157.2	0	0	0	109	I907	I907-L909 PolarHBondContact O-N 3.27Å
910	N	22.6	Very low	24.3	Very low	134 Å²	134	139.2 Å²	139.2	72%	0.717	78%	0.778	S	S	*	*			trans	-88.3	111.1	163	-81.2	-21.6	0	0	0	108.9	E908 E912	E908-N910 VanDerWaalsContact C-N 3.3Å; E908-N910 PolarHBondContact O-N 3.32Å; N910-E912 PolarHBondContact O-N 3.15Å; N910-E912 VanDerWaalsContact O-N 3.08Å
911	N	24	Very low	24.2	Very low	154 Å²	154	141 Å²	141	82%	0.824	78%	0.779	S	S	*	*			trans	-53.5	103.7	166.4	-67.3	-37.2	0	0	0	109.8
912	E	24.4	Very low	24.1	Very low	176 Å²	176	143.6 Å²	143.6	82%	0.822	79%	0.785	S	S	*	*			trans	-126.3	69.2	161.5	-73.9	-160.6	171.3	0	0	109.4	N910 D914	N910-E912 PolarHBondContact O-N 3.15Å; N910-E912 VanDerWaalsContact O-N 3.08Å; E912-D914 PolarHBondContact O-N 2.91Å
913	S	26.9	Very low	24.2	Very low	110 Å²	110	146.2 Å²	146.2	77%	0.769	79%	0.789	S	S	*	*			trans	-83.3	66.8	156.6	58	0	0	0	0	108.7
914	D	27.5	Very low	24	Very low	140 Å²	140	146.8 Å²	146.8	75%	0.749	79%	0.792	S	S	*	*			trans	-148.3	40.5	178.9	-97.3	-26.8	0	0	0	112.7	E912	E912-D914 PolarHBondContact O-N 2.91Å
915	L	26.7	Very low	24	Very low	152 Å²	152	147.1 Å²	147.1	80%	0.796	79%	0.793	S	S	*	*	S	Bend	trans	-136.7	41	174.3	-131.2	101.7	0	0	0	114.6
916	V	28	Very low	24	Very low	140 Å²	140	148.3 Å²	148.3	85%	0.848	80%	0.795	S	S	*	*	S	Bend	trans	-131.3	-8.6	161.9	-173.2	0	0	0	0	113.1
917	H	26.1	Very low	24.3	Very low	173 Å²	173	150 Å²	150	80%	0.801	80%	0.799	S	S	*	*	S	Bend	trans	-95.7	9.5	-179.4	-90.1	-39.8	0	0	0	117.4
918	S	24.7	Very low	24.1	Very low	97 Å²	97	152.6 Å²	152.6	68%	0.678	81%	0.805	S	S	*	*	S	Bend	trans	-104.4	15.3	-174.6	64.2	0	0	0	0	116.9
919	K	25.8	Very low	24.2	Very low	199 Å²	199	154.5 Å²	154.5	87%	0.865	81%	0.814	S	S	*	*	S	Bend	trans	-118.8	2.9	174.8	-89.3	-176.8	177.6	176.6	0	117.5
920	L	26.3	Very low	24.2	Very low	164 Å²	164	151.9 Å²	151.9	86%	0.859	81%	0.807	S	S	*	*	S	Bend	trans	-114	0.5	177.9	-84.3	158.4	0	0	0	115.7
921	N	22.6	Very low	24	Very low	145 Å²	145	153.4 Å²	153.4	78%	0.775	81%	0.813	S	S	*	*			trans	-96.3	25.9	179.9	-86.3	-11.9	0	0	0	115.9
922	N	23.3	Very low	23.8	Very low	157 Å²	157	152.3 Å²	152.3	84%	0.84	81%	0.812	S	S	*	*	S	Bend	trans	-109.2	24.9	176	-84.9	-22	0	0	0	114.9
923	L	24.4	Very low	23.5	Very low	170 Å²	170	153.1 Å²	153.1	89%	0.89	81%	0.813	S	S	*	*	S	Bend	trans	-137.1	59.8	168.3	-75	171.1	0	0	0	111.2
924	C	19.3	Very low	23.1	Very low	120 Å²	120	154 Å²	154	81%	0.811	82%	0.818	S	S	*	*			trans	-159.1	100.8	158.4	-121.4	0	0	0	0	108.2
925	L	21.7	Very low	22.6	Very low	161 Å²	161	153.4 Å²	153.4	84%	0.843	82%	0.82	S	S	*	*			trans	-167.9	136	150.6	-98.3	178	0	0	0	109.7
926	N	22.3	Very low	22.3	Very low	137 Å²	137	150.8 Å²	150.8	73%	0.733	81%	0.814	S	S	*	*			trans	94	112.5	171.6	-49.9	-20.3	0	0	0	113
927	D	26.7	Very low	22	Very low	157 Å²	157	150.7 Å²	150.7	84%	0.84	81%	0.814	S	S	*	*			cis	-145.4	142	35.2	-86.9	-46.8	0	0	0	114.5
928	K	20.3	Very low	22	Very low	201 Å²	201	148.6 Å²	148.6	87%	0.874	82%	0.816	S	S	*	*			trans	-70.4	128.7	163.6	-65.5	171.5	175.8	175.7	0	108.8
929	Q	22.7	Very low	21.8	Very low	194 Å²	194	147.5 Å²	147.5	91%	0.907	82%	0.82	S	S	*	*			trans	-158.7	145.9	139.7	-109.1	176.7	15.1	0	0	111.6
930	P	22.5	Very low	21.6	Very low	108 Å²	108	145.2 Å²	145.2	70%	0.701	82%	0.817	S	S	*	*			trans	-99.3	158.6	-144.7	37.3	-35.2	0	0	0	115.1	T932	P930-T932 PolarHBondContact O-N 3.41Å
931	I	17.6	Very low	21.4	Very low	166 Å²	166	143.5 Å²	143.5	85%	0.851	81%	0.809	S	S	*	*			trans	-34.9	112.2	165	-58.8	159.3	0	0	0	112.2
932	T	20.2	Very low	21.4	Very low	131 Å²	131	143.2 Å²	143.2	80%	0.804	81%	0.807	S	S	*	*			trans	-110.8	108.3	159.2	45.1	0	0	0	0	109.7	P930	P930-T932 PolarHBondContact O-N 3.41Å
933	K	17	Very low	21.6	Very low	193 Å²	193	143.6 Å²	143.6	84%	0.839	81%	0.809	S	S	*	*			trans	-55.8	129.3	154.4	-75.4	175.4	171.6	178.5	0	108.7
934	C	19	Very low	21.6	Very low	129 Å²	129	142.7 Å²	142.7	87%	0.872	81%	0.805	S	S	*	*			trans	-152.1	134.4	151.2	-96.3	0	0	0	0	111
935	T	18.3	Very low	21.9	Very low	128 Å²	128	144.8 Å²	144.8	79%	0.785	80%	0.803	S	S	*	*			trans	-84.1	145.1	-176	42.8	0	0	0	0	112.2
936	S	18.8	Very low	22.2	Very low	96 Å²	96	144.5 Å²	144.5	67%	0.671	80%	0.801	S	S	*	*			trans	44.8	114.6	141.7	65.8	0	0	0	0	120.3
937	T	21.6	Very low	22.6	Very low	139 Å²	139	145.3 Å²	145.3	85%	0.853	81%	0.805	S	S	*	*				158.1	155.6	108.4	41.4	0	0	0	0	112.5
938	P	27.1	Very low	22.9	Very low	129 Å²	129	143.9 Å²	143.9	84%	0.838	80%	0.798	S	S	*	*			trans	-100.9	149.2	-163.8	37.3	-29.2	0	0	0	113.8
939	G	20.6	Very low	23.2	Very low	74 Å²	74	142 Å²	142	76%	0.763	79%	0.792	S	S	*	*			trans	175.3	105.5	171.6	0	0	0	0	0	114.3
940	D	21	Very low	23.4	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	79%	0.786	S	S	*	*			trans	69.2	127.8	141.7	-80.2	-7.5	0	0	0	124.1
941	N	23.1	Very low	23.8	Very low	129 Å²	129	140.9 Å²	140.9	69%	0.69	79%	0.786	S	S	*	*			trans	94.3	107.3	139	-70.8	-33.7	0	0	0	120.8
942	N	22.7	Very low	24.2	Very low	138 Å²	138	140.6 Å²	140.6	74%	0.738	78%	0.781	S	S	*	*				38.9	111.1	124.3	-73.8	-22	0	0	0	117.8
943	N	26.9	Very low	24.5	Very low	165 Å²	165	141 Å²	141	88%	0.882	78%	0.778	S	S	*	*			trans	-157.7	107.1	131.2	-94.4	-28	0	0	0	111.2	H945	N943-H945 PolarHBondContact O-N 2.85Å
944	N	24.6	Very low	24.9	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	78%	0.777	S	S	*	*			trans	-62.5	118.9	155	-68.3	-34.2	0	0	0	108.1
945	H	25.7	Very low	25.2	Very low	164 Å²	164	143.5 Å²	143.5	76%	0.759	77%	0.774	S	S	*	*			trans	176.7	78.8	151.1	-96.8	-60	0	0	0	110.1	N943	N943-H945 PolarHBondContact O-N 2.85Å
946	L	28.3	Very low	25.6	Very low	154 Å²	154	143.7 Å²	143.7	81%	0.806	78%	0.775	S	S	*	*			trans	-143.9	18.4	158.4	-78.4	-178.3	0	0	0	113.2	D948	L946-D948 VanDerWaalsContact C-N 3.34Å
947	D	30.6	Very low	25.8	Very low	154 Å²	154	147.6 Å²	147.6	82%	0.824	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	2.5	176.7	-81.7	-20.5	0	0	0	114.5
948	D	32	Very low	25.9	Very low	128 Å²	128	149.7 Å²	149.7	68%	0.684	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-4.1	-178.1	-82.9	-31	0	0	0	115.6	L946	L946-D948 VanDerWaalsContact C-N 3.34Å
949	E	27.6	Very low	25.6	Very low	162 Å²	162	148.9 Å²	148.9	76%	0.757	78%	0.778	S	S	*	*	S	Bend	trans	-91.1	-18.8	174.9	-101.7	-174.4	163	0	0	114.1
950	F	27.5	Very low	25.7	Very low	176 Å²	176	153.6 Å²	153.6	77%	0.772	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-20.9	-176.1	-119.1	-91	0	0	0	114.3
951	S	29.5	Very low	25.7	Very low	101 Å²	101	154.2 Å²	154.2	71%	0.706	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-8	-179.1	-80.8	0	0	0	0	115
952	Q	27	Very low	25.6	Very low	160 Å²	160	151.8 Å²	151.8	75%	0.748	79%	0.786	S	S	*	*	S	Bend	trans	-94.9	-11.3	178.2	-70.6	-163.9	23.4	0	0	114.7	F954	Q952-F954 VanDerWaalsContact C-N 3.31Å; Q952-F954 PolarHBondContact O-N 3.48Å
953	L	26.1	Very low	25.6	Very low	140 Å²	140	152.5 Å²	152.5	73%	0.733	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-14.6	-175.6	-147.1	76	0	0	0	114.4
954	F	24.8	Very low	25.5	Very low	189 Å²	189	149.7 Å²	149.7	83%	0.829	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	15.5	-174.7	-84.7	-78.1	0	0	0	115.9	Q952	Q952-F954 VanDerWaalsContact C-N 3.31Å; Q952-F954 PolarHBondContact O-N 3.48Å
955	K	25.6	Very low	25.4	Very low	186 Å²	186	147.3 Å²	147.3	81%	0.809	78%	0.778	S	S	*	*			trans	-118.5	10.6	179.3	-85.4	-175	178.6	174	0	117	K957	K955-K957 PolarHBondContact O-N 3.32Å; K955-K957 VanDerWaalsContact O-N 3.17Å
956	T	26	Very low	25.4	Very low	131 Å²	131	147.4 Å²	147.4	80%	0.804	78%	0.784	S	S	*	*			trans	-86.8	98.8	177.8	-38.8	0	0	0	0	111.2	L958	T956-L958 PolarHBondContact O-N 2.94Å
957	K	24.2	Very low	25.1	Very low	178 Å²	178	145.9 Å²	145.9	77%	0.774	78%	0.777	S	S	*	*			trans	-45.5	125.6	166.3	-76.3	171.9	171.6	177.2	0	111.2	K955 T959	K955-K957 PolarHBondContact O-N 3.32Å; K955-K957 VanDerWaalsContact O-N 3.17Å; K957-T959 VanDerWaalsContact C-N 3.34Å; K957-T959 PolarHBondContact O-N 3.22Å; K957-T959 PolarHBondContact O-OG1 2.91Å; K957-T959 VanDerWaalsContact O-OG1 3.14Å
958	L	22.3	Very low	24.7	Very low	184 Å²	184	145.1 Å²	145.1	96%	0.963	77%	0.772	S	S	*	*			trans	-51.7	97.8	157.5	-81.7	151.6	0	0	0	108.4	T956	T956-L958 PolarHBondContact O-N 2.94Å
959	T	21.8	Very low	24.2	Very low	112 Å²	112	144.8 Å²	144.8	69%	0.687	78%	0.775	S	S	*	*			trans	-117.1	107.6	168.5	-17.1	0	0	0	0	105.5	K957 N961	K957-T959 VanDerWaalsContact C-N 3.34Å; K957-T959 PolarHBondContact O-N 3.22Å; K957-T959 PolarHBondContact O-OG1 2.91Å; K957-T959 VanDerWaalsContact O-OG1 3.14Å; T959-N961 PolarHBondContact O-N 3.16Å; T959-N961 VanDerWaalsContact O-N 3.09Å
960	L	22.9	Very low	23.8	Very low	172 Å²	172	141.8 Å²	141.8	90%	0.901	77%	0.772	S	S	*	*			trans	-55.2	107.3	174.8	-72.3	153.3	0	0	0	108.7	A962	L960-A962 PolarHBondContact O-N 2.69Å; L960-A962 VanDerWaalsContact O-N 3.15Å
961	N	21.6	Very low	23.6	Very low	163 Å²	163	140.6 Å²	140.6	87%	0.872	77%	0.774	S	S	*	*			trans	-79.9	94.3	165	-84.3	-16.2	0	0	0	108.2	T959	T959-N961 PolarHBondContact O-N 3.16Å; T959-N961 VanDerWaalsContact O-N 3.09Å
962	A	20.6	Very low	23.2	Very low	79 Å²	79	146.9 Å²	146.9	65%	0.653	78%	0.782	S	S	*	*			trans	-62.2	120.8	143.4	0	0	0	0	0	108	L960	L960-A962 PolarHBondContact O-N 2.69Å; L960-A962 VanDerWaalsContact O-N 3.15Å
963	D	21.8	Very low	23	Very low	153 Å²	153	147.1 Å²	147.1	82%	0.818	79%	0.787	S	S	*	*				165.1	127.9	129.1	-87.6	-22.1	0	0	0	112.2
964	S	25.4	Very low	22.7	Very low	106 Å²	106	144.7 Å²	144.7	74%	0.741	78%	0.782	S	S	*	*			trans	133.5	87.2	145.1	63	0	0	0	0	110.8
965	S	22.2	Very low	22.5	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	78%	0.777	S	S	*	*				64.9	99.9	78.5	77.6	0	0	0	0	113.5
966	L	26.3	Very low	22.4	Very low	166 Å²	166	138.8 Å²	138.8	87%	0.869	78%	0.782	S	S	*	*			trans	-158.9	88.7	146.7	-96.3	151.8	0	0	0	105.3
967	N	21	Very low	22	Very low	123 Å²	123	138 Å²	138	66%	0.658	78%	0.781	S	S	*	*				56.6	101.8	95.6	-78.1	-12.5	0	0	0	112.7
968	N	21.6	Very low	22	Very low	138 Å²	138	137.1 Å²	137.1	74%	0.738	78%	0.784	S	S	*	*				111	125.7	105.2	-79	-19.7	0	0	0	106.3
969	T	22.6	Very low	21.9	Very low	120 Å²	120	133 Å²	133	74%	0.736	77%	0.77	S	S	*	*			cis	-165.6	124.1	47.8	39.3	0	0	0	0	108
970	S	19.8	Very low	21.8	Very low	100 Å²	100	136.8 Å²	136.8	70%	0.699	78%	0.777	S	S	*	*				39.5	108.3	113.7	68.9	0	0	0	0	118
971	D	23.5	Very low	21.7	Very low	151 Å²	151	137.3 Å²	137.3	81%	0.807	78%	0.775	S	S	*	*				-172	100.8	129.6	-90.3	-25.6	0	0	0	107.9
972	R	19.5	Very low	21.9	Very low	233 Å²	233	134.7 Å²	134.7	88%	0.879	77%	0.766	S	S	*	*				52.2	107.4	96.2	-77.3	-171.3	176.1	-169	1.2	114.3
973	L	23.2	Very low	21.9	Very low	164 Å²	164	135.1 Å²	135.1	86%	0.859	77%	0.765	S	S	*	*			trans	179.2	102.5	130.5	-91.7	159.5	0	0	0	108
974	S	21	Very low	21.7	Very low	90 Å²	90	136.5 Å²	136.5	63%	0.629	77%	0.766	S	S	*	*				71.2	96.6	106.7	68.7	0	0	0	0	113.6
975	S	19.9	Very low	21.5	Very low	103 Å²	103	142 Å²	142	72%	0.72	77%	0.771	S	S	*	*				68.7	104.8	86.9	72.8	0	0	0	0	114.9
976	T	22.3	Very low	21.4	Very low	147 Å²	147	144.6 Å²	144.6	90%	0.902	77%	0.772	S	S	*	*			trans	-152.6	127.8	138.6	18.5	0	0	0	0	109.7
977	S	18.9	Very low	20.9	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	77%	0.769	S	S	*	*			trans	-117.7	126.9	-178.3	-41	0	0	0	0	107.6
978	I	23.2	Very low	21	Very low	161 Å²	161	147.5 Å²	147.5	83%	0.826	78%	0.779	S	S	*	*			trans	-148.9	100.3	163.6	-57.6	-177.9	0	0	0	104.7
979	S	20.3	Very low	20.8	Very low	97 Å²	97	147.8 Å²	147.8	68%	0.678	78%	0.775	S	S	*	*				78.2	102.5	73.7	173.1	0	0	0	0	115.8
980	K	20.7	Very low	20.8	Very low	191 Å²	191	151 Å²	151	83%	0.83	78%	0.782	S	S	*	*			trans	58.6	122.3	131.4	-63.6	-178.8	176.4	179.7	0	121.8
981	H	20.4	Very low	20.8	Very low	184 Å²	184	154.1 Å²	154.1	85%	0.852	79%	0.786	S	S	*	*				14.9	152.4	129.1	-79.2	-61.3	0	0	0	119.8
982	P	26.2	Very low	20.6	Very low	107 Å²	107	154 Å²	154	70%	0.695	79%	0.785	S	S	*	*			cis	-153.7	170.9	41.4	40.9	-18.7	0	0	0	119.6
983	S	19.8	Very low	20.7	Very low	89 Å²	89	148.2 Å²	148.2	62%	0.622	78%	0.78	S	S	*	*			trans	57.8	125	135.2	66.5	0	0	0	0	124.6
984	E	18.3	Very low	20.5	Very low	182 Å²	182	150.2 Å²	150.2	85%	0.85	78%	0.778	S	S	*	*				58.1	120.8	126.9	-64.7	-179.8	163	0	0	121.4
985	R	20.4	Very low	20.5	Very low	221 Å²	221	155.7 Å²	155.7	83%	0.834	79%	0.794	S	S	*	*				-176.9	128	119.1	-101.9	176.1	-170.1	-168.3	2.4	114.7
986	Q	19.5	Very low	20.4	Very low	156 Å²	156	155.5 Å²	155.5	73%	0.729	79%	0.788	S	S	*	*			trans	57.9	108.3	133.7	-66.2	171.4	-37.6	0	0	119.2
987	Y	16.8	Very low	20.5	Very low	208 Å²	208	156.9 Å²	156.9	82%	0.816	79%	0.789	S	S	*	*				47.9	104.5	81.7	-89.6	-82.6	0	0	0	115.7
988	V	22.4	Very low	20.5	Very low	142 Å²	142	157.3 Å²	157.3	86%	0.861	78%	0.783	S	S	*	*			trans	-134.8	128.1	148.3	-178.7	0	0	0	0	108.6
989	H	18.7	Very low	20.4	Very low	143 Å²	143	156.5 Å²	156.5	66%	0.662	78%	0.78	S	S	*	*			trans	-94.8	143.6	177.4	-112.8	-75.4	0	0	0	109.3
990	E	22.8	Very low	20.5	Very low	188 Å²	188	156.8 Å²	156.8	88%	0.879	78%	0.782	S	S	*	*			trans	-170.5	95.9	152.3	-106.7	167.9	-164.4	0	0	106.3
991	Q	19.9	Very low	20.5	Very low	165 Å²	165	156.7 Å²	156.7	77%	0.771	79%	0.785	S	S	*	*				62.2	91.9	73.9	-74.8	-164.1	-13.3	0	0	117.4
992	N	18	Very low	20.5	Very low	150 Å²	150	152.4 Å²	152.4	80%	0.802	78%	0.775	S	S	*	*				32.1	126.7	124.3	-68.9	-12.4	0	0	0	122.2
993	S	21.9	Very low	20.3	Very low	111 Å²	111	153.6 Å²	153.6	78%	0.776	78%	0.781	S	S	*	*				-175	105.3	127.8	53	0	0	0	0	109.1
994	Y	18.1	Very low	20.2	Very low	206 Å²	206	156.1 Å²	156.1	81%	0.808	79%	0.792	S	S	*	*				43.8	113.3	95.1	-80.4	-79.5	0	0	0	116.4
995	E	21.8	Very low	20.4	Very low	204 Å²	204	151.5 Å²	151.5	95%	0.953	79%	0.785	S	S	*	*			trans	-159.5	151.3	132.3	-113	175.3	-163.2	0	0	112.1
996	T	18.9	Very low	20.5	Very low	100 Å²	100	149.9 Å²	149.9	61%	0.613	78%	0.784	S	S	*	*			trans	-125.6	129.1	-157.3	-54.1	0	0	0	0	109.6
997	L	23.1	Very low	20.5	Very low	176 Å²	176	148.2 Å²	148.2	92%	0.921	79%	0.785	S	S	*	*			trans	-150.5	102.2	163.4	-75.6	169.8	0	0	0	105.5
998	N	19.4	Very low	20.7	Very low	123 Å²	123	144.3 Å²	144.3	66%	0.658	79%	0.788	S	S	*	*				61.1	109.3	55.8	-87.5	-0.3	0	0	0	117
999	N	20.4	Very low	20.7	Very low	143 Å²	143	141.4 Å²	141.4	77%	0.765	79%	0.786	S	S	*	*			trans	79.6	117.2	140.7	-65	-16	0	0	0	121.2
1000	S	23	Very low	20.7	Very low	104 Å²	104	141.1 Å²	141.1	73%	0.727	79%	0.794	S	S	*	*				151.1	114.6	112.6	61.7	0	0	0	0	109.5
1001	E	20.1	Very low	20.8	Very low	189 Å²	189	138.9 Å²	138.9	88%	0.883	79%	0.793	S	S	*	*				52.2	131.6	97	-72.7	-173.8	170.9	0	0	113.1
1002	S	20.8	Very low	20.8	Very low	94 Å²	94	138.1 Å²	138.1	66%	0.657	79%	0.793	S	S	*	*			cis	179.6	175.6	18	53.9	0	0	0	0	108.9
1003	T	23.1	Very low	21.1	Very low	131 Å²	131	138.5 Å²	138.5	80%	0.804	80%	0.795	S	S	*	*			trans	88.3	93.9	154.3	54.3	0	0	0	0	122.5
1004	V	17.9	Very low	21.3	Very low	142 Å²	142	137.9 Å²	137.9	86%	0.861	79%	0.789	S	S	*	*				-14.8	131.5	128.6	-177.3	0	0	0	0	118.1
1005	A	22.6	Very low	21.4	Very low	86 Å²	86	133.5 Å²	133.5	71%	0.711	79%	0.788	S	S	*	*			trans	173.3	110.9	133.4	0	0	0	0	0	111
1006	K	21.2	Very low	21.6	Very low	187 Å²	187	131.8 Å²	131.8	81%	0.813	78%	0.78	S	S	*	*				77.4	105.7	100.3	-82.9	-174.2	178.1	177.3	0	117.6
1007	T	19.1	Very low	21.6	Very low	121 Å²	121	132 Å²	132	74%	0.742	79%	0.786	S	S	*	*				61.4	128.7	126.5	57.8	0	0	0	0	122.2
1008	S	21.9	Very low	21.7	Very low	125 Å²	125	131.9 Å²	131.9	87%	0.874	78%	0.78	S	S	*	*			trans	99.1	119	140.4	-49.9	0	0	0	0	117.9
1009	G	22.8	Very low	21.8	Very low	81 Å²	81	134.2 Å²	134.2	84%	0.835	79%	0.787	S	S	*	*			trans	140.4	93.3	151.5	0	0	0	0	0	115.5
1010	V	18.4	Very low	21.9	Very low	137 Å²	137	136.6 Å²	136.6	83%	0.83	79%	0.793	S	S	*	*			trans	-68	129.4	164.5	170.6	0	0	0	0	110
1011	V	24.3	Very low	21.7	Very low	141 Å²	141	140 Å²	140	86%	0.855	80%	0.798	S	S	*	*			trans	-158.3	131.7	135.6	179.6	0	0	0	0	108.5
1012	I	19.4	Very low	21.8	Very low	149 Å²	149	140.1 Å²	140.1	76%	0.764	80%	0.798	S	S	*	*			trans	-89	135.2	175	-63.4	163.8	0	0	0	108.7
1013	D	25.7	Very low	22.1	Very low	159 Å²	159	140.7 Å²	140.7	85%	0.85	80%	0.8	S	S	*	*			trans	-154.3	140.4	146.9	-151.1	20.9	0	0	0	109.9
1014	P	25.1	Very low	22	Very low	98 Å²	98	139.7 Å²	139.7	64%	0.636	80%	0.798	S	S	*	*			trans	-106	130.3	-166.4	36.2	-24.5	0	0	0	112.2
1015	S	21.5	Very low	22.4	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	80%	0.798	S	S	*	*			trans	171.5	152.5	147.1	38.5	0	0	0	0	110.6
1016	E	24.6	Very low	22.4	Very low	167 Å²	167	140.3 Å²	140.3	78%	0.78	80%	0.798	S	S	*	*			trans	88.4	84	167.8	-54.7	-167.6	163.5	0	0	117.4	H1018	E1016-H1018 PolarHBondContact O-N 3.13Å
1017	S	19.6	Very low	22.6	Very low	106 Å²	106	139 Å²	139	74%	0.741	80%	0.8	S	S	*	*			trans	-18.8	112.5	133.4	52.9	0	0	0	0	115.1
1018	H	25.2	Very low	23	Very low	173 Å²	173	136.8 Å²	136.8	80%	0.801	80%	0.801	S	S	*	*			trans	-140.5	112.2	148.8	-95.8	-63.1	0	0	0	110.6	E1016 Q1020	E1016-H1018 PolarHBondContact O-N 3.13Å; H1018-Q1020 PolarHBondContact O-N 3.35Å
1019	H	21.1	Very low	23.4	Very low	172 Å²	172	135.9 Å²	135.9	80%	0.796	79%	0.794	S	S	*	*			trans	-44.7	118.1	165.8	-69.8	-81.5	0	0	0	112
1020	Q	23.3	Very low	23.7	Very low	192 Å²	192	134.9 Å²	134.9	90%	0.897	79%	0.785	S	S	*	*			trans	-126.5	98	151.4	-77.6	-171	0.4	0	0	108.7	H1018	H1018-Q1020 PolarHBondContact O-N 3.35Å
1021	Q	18.8	Very low	24.3	Very low	176 Å²	176	138.5 Å²	138.5	82%	0.822	79%	0.789	S	S	*	*			trans	-68	127.3	162.7	-66.3	169.9	-6.6	0	0	108.6
1022	Q	22.1	Very low	24.9	Very low	191 Å²	191	137.4 Å²	137.4	89%	0.893	78%	0.783	S	S	*	*			trans	-167.4	154	153.7	-112.9	-177.6	26.9	0	0	110
1023	P	27.2	Very low	25.9	Very low	107 Å²	107	135.4 Å²	135.4	70%	0.695	78%	0.782	S	S	*	*				-107.5	152.1	-90.4	34.8	-28.8	0	0	0	113.1	T1025	P1023-T1025 PolarHBondContact O-N 3.09Å
1024	S	20.5	Very low	26.8	Very low	110 Å²	110	133.2 Å²	133.2	77%	0.769	77%	0.767	S	S	*	*			trans	-53.2	108.1	168.4	50	0	0	0	0	112.4	S1026	S1024-S1026 VanDerWaalsContact C-N 3.29Å; S1024-S1026 PolarHBondContact O-N 3.47Å
1025	T	25.8	Very low	28.7	Very low	140 Å²	140	132.9 Å²	132.9	86%	0.859	76%	0.76	S	S	*	*			trans	-81.9	84.4	154.6	51.9	0	0	0	0	108.1	P1023 N1027	P1023-T1025 PolarHBondContact O-N 3.09Å; T1025-N1027 PolarHBondContact O-N 3.36Å
1026	S	23.8	Very low	30.7	Very low	100 Å²	100	130.9 Å²	130.9	70%	0.699	74%	0.74	S	S	*	*			trans	-65.7	95.2	162.7	53.4	0	0	0	0	108.7	S1024	S1024-S1026 VanDerWaalsContact C-N 3.29Å; S1024-S1026 PolarHBondContact O-N 3.47Å
1027	N	25.4	Very low	32.8	Very low	160 Å²	160	124.5 Å²	124.5	86%	0.856	71%	0.71	S	S	*	*			trans	-146.6	49.6	154.4	-91.2	-16.4	0	0	0	108.2	T1025 S1029	T1025-N1027 PolarHBondContact O-N 3.36Å; N1027-S1029 VanDerWaalsContact C-N 3.32Å; N1027-S1029 PolarHBondContact O-N 3.31Å
1028	G	27.5	Very low	35	Very low	75 Å²	75	124.3 Å²	124.3	77%	0.773	70%	0.701	S	S	*	*			trans	-87.2	81.7	156.9	0	0	0	0	0	106.9	G1030	G1028-G1030 PolarHBondContact O-N 2.51Å
1029	S	30.1	Very low	37	Very low	105 Å²	105	122.7 Å²	122.7	73%	0.734	69%	0.691	S	S	*	*			trans	-54.1	111.9	160.6	49.1	0	0	0	0	106.3	N1027 F1031	N1027-S1029 VanDerWaalsContact C-N 3.32Å; N1027-S1029 PolarHBondContact O-N 3.31Å; S1029-F1031 PolarHBondContact O-N 2.75Å
1030	G	29.7	Very low	39.2	Very low	61 Å²	61	119.4 Å²	119.4	63%	0.629	68%	0.675	S	S	*	*			trans	-49.5	129.6	173.4	0	0	0	0	0	108.3	G1028 T1032	G1028-G1030 PolarHBondContact O-N 2.51Å; G1030-T1032 PolarHBondContact O-N 3.32Å
1031	F	31.1	Very low	41.1	Very low	212 Å²	212	113.5 Å²	113.5	93%	0.93	67%	0.665	S	S	*	*			trans	-60.8	93	168.6	-97.1	-93.5	0	0	0	107.1	S1029 S1033	S1029-F1031 PolarHBondContact O-N 2.75Å; F1031-S1033 PolarHBondContact O-N 3.08Å
1032	T	36	Very low	43.4	Very low	119 Å²	119	107.6 Å²	107.6	73%	0.73	64%	0.639	S	S	*	*			trans	-67.8	108.5	160.5	48.9	0	0	0	0	105.3	G1030 E1034	G1030-T1032 PolarHBondContact O-N 3.32Å; T1032-E1034 PolarHBondContact O-N 2.94Å
1033	S	40.7	Very low	45.6	Very low	106 Å²	106	102.2 Å²	102.2	74%	0.741	62%	0.621	S	S	*	*			trans	-54.8	104.2	172.4	170.2	0	0	0	0	108.7	F1031	F1031-S1033 PolarHBondContact O-N 3.08Å
1034	E	43.5	Very low	47.7	Very low	114 Å²	114	102.4 Å²	102.4	53%	0.533	63%	0.625	S	S	.	*			trans	-61.1	137.5	171.8	-73.4	174.4	171.6	0	0	109.6	T1032 D1038 F1039	T1032-E1034 PolarHBondContact O-N 2.94Å; E1034-D1038 HydrophobicContact CB-CB 3.79Å; E1034-D1038 HydrophobicContact CG-CB 4.11Å; E1034-F1039 HydrophobicContact CB-CB 4.39Å
1035	D	64.7	Low	49.9	Very low	90 Å²	90	102.5 Å²	102.5	48%	0.481	63%	0.625	S	S	.	*			trans	-62.5	158.2	165.2	-180	22.5	0	0	0	109.3	H1037 D1038 F1039	D1035-H1037 PolarHBondContact O-N 2.9Å; D1035-H1037 VanDerWaalsContact O-N 3.11Å; D1035-D1038 CarbonylContact O-C 3.55Å; D1035-D1038 WeakPolarHBondContact O-CA 3.38Å; D1035-D1038 WeakPolarHBondContact O-CB 3.24Å; D1035-D1038 PolarHBondContact O-N 3.2Å; D1035-F1039 WeakPolarHBondContact O-CB 3.45Å; D1035-F1039 PolarHBondContact O-N 2.94Å
1036	I	65.1	Low	51.5	Low	72 Å²	72	100.8 Å²	100.8	37%	0.369	61%	0.607	S	S	.	*	H	α-helix	trans	-57.4	-30.3	-179.1	-167.5	163	0	0	0	112.2	F1040 L1048	I1036-F1040 HydrophobicContact CD1-CE2 4.11Å; I1036-F1040 HydrophobicContact CG1-CD2 3.84Å; I1036-F1040 HydrophobicContact CG1-CE2 3.61Å; I1036-F1040 WeakPolarHBondContact O-CD2 3.36Å; I1036-F1040 PolarHBondContact O-N 2.87Å; I1036-L1048 HydrophobicContact CB-CD1 4.29Å; I1036-L1048 HydrophobicContact CD1-CD1 4.04Å; I1036-L1048 HydrophobicContact CG1-CD1 3.94Å; I1036-L1048 HydrophobicContact CG2-CD1 3.43Å; I1036-L1048 VanDerWaalsContact CG2-CD1 3.43Å
1037	H	68.6	Low	53.2	Low	34 Å²	34	104.9 Å²	104.9	16%	0.157	62%	0.615	C	S	.	*	H	α-helix	trans	-69	-45	172	-68.6	-15.8	0	0	0	112.2	D1035 F1040 G1041 L1042 H1046 L1048	D1035-H1037 PolarHBondContact O-N 2.9Å; D1035-H1037 VanDerWaalsContact O-N 3.11Å; H1037-F1040 CarbonylContact O-C 3.56Å; H1037-F1040 PolarHBondContact O-N 3.08Å; H1037-G1041 PolarHBondContact O-N 2.88Å; H1037-L1042 PolarHBondContact O-N 3.25Å; H1037-H1046 PolarHBondContact CE1-O 3.1Å; H1037-L1048 WeakPolarHBondContact CE1-CD1 3.35Å; H1037-L1048 WeakPolarHBondContact ND1-CD1 3.4Å
1038	D	65.8	Low	54.8	Low	102 Å²	102	100 Å²	100	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-63.7	-42.7	175.5	-66.7	-27.2	0	0	0	111	E1034 D1035 F1040 G1041	E1034-D1038 HydrophobicContact CB-CB 3.79Å; E1034-D1038 HydrophobicContact CG-CB 4.11Å; D1035-D1038 CarbonylContact O-C 3.55Å; D1035-D1038 WeakPolarHBondContact O-CA 3.38Å; D1035-D1038 WeakPolarHBondContact O-CB 3.24Å; D1035-D1038 PolarHBondContact O-N 3.2Å; D1038-F1040 VanDerWaalsContact C-N 3.26Å; D1038-F1040 PolarHBondContact O-N 2.9Å; D1038-G1041 PolarHBondContact O-N 2.84Å
1039	F	67.4	Low	56.2	Low	138 Å²	138	101.6 Å²	101.6	61%	0.605	58%	0.584	S	S	*	*	H	α-helix	trans	-58	-36.6	176.9	180	-96.1	0	0	0	112.4	E1034 D1035	E1034-F1039 HydrophobicContact CB-CB 4.39Å; D1035-F1039 WeakPolarHBondContact O-CB 3.45Å; D1035-F1039 PolarHBondContact O-N 2.94Å
1040	F	67	Low	57.6	Low	104 Å²	104	102.5 Å²	102.5	46%	0.456	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.3	-1.8	174.9	-71.6	-60.3	0	0	0	113.9	I1036 H1037 D1038 L1042 L1048	I1036-F1040 HydrophobicContact CD1-CE2 4.11Å; I1036-F1040 HydrophobicContact CG1-CD2 3.84Å; I1036-F1040 HydrophobicContact CG1-CE2 3.61Å; I1036-F1040 WeakPolarHBondContact O-CD2 3.36Å; I1036-F1040 PolarHBondContact O-N 2.87Å; H1037-F1040 CarbonylContact O-C 3.56Å; H1037-F1040 PolarHBondContact O-N 3.08Å; D1038-F1040 VanDerWaalsContact C-N 3.26Å; D1038-F1040 PolarHBondContact O-N 2.9Å; F1040-L1042 HydrophobicContact CB-CD1 3.81Å; F1040-L1042 HydrophobicContact CB-CG 3.76Å; F1040-L1042 HydrophobicContact CG-CD1 4.5Å; F1040-L1042 PolarHBondContact O-N 3.28Å; F1040-L1048 HydrophobicContact CD2-CD2 4.24Å; F1040-L1048 HydrophobicContact CE2-CD2 4.33Å
1041	G	61.8	Low	58.7	Low	67 Å²	67	105.9 Å²	105.9	69%	0.691	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	62	27.7	-173.3	0	0	0	0	0	113.9	H1037 D1038	H1037-G1041 PolarHBondContact O-N 2.88Å; D1038-G1041 PolarHBondContact O-N 2.84Å
1042	L	67.9	Low	59.8	Low	53 Å²	53	99.5 Å²	99.5	28%	0.277	57%	0.568	S	S	.	*			trans	-89.9	143.1	-178.7	-65.2	174.8	0	0	0	111	H1037 F1040 S1044 H1046 L1048	H1037-L1042 PolarHBondContact O-N 3.25Å; F1040-L1042 HydrophobicContact CB-CD1 3.81Å; F1040-L1042 HydrophobicContact CB-CG 3.76Å; F1040-L1042 HydrophobicContact CG-CD1 4.5Å; F1040-L1042 PolarHBondContact O-N 3.28Å; L1042-S1044 PolarHBondContact O-N 3.37Å; L1042-H1046 HydrophobicContact CB-CB 4.27Å; L1042-L1048 HydrophobicContact CD1-CD2 4.35Å
1043	P	67.8	Low	61	Low	78 Å²	78	101.2 Å²	101.2	51%	0.506	57%	0.565	S	S	.	*			trans	-56.8	140.5	167.4	-17.9	29.2	0	0	0	109.9	S1045 H1046	P1043-S1045 PolarHBondContact O-N 2.94Å; P1043-H1046 WeakPolarHBondContact O-CB 3.29Å; P1043-H1046 PolarHBondContact O-N 2.62Å
1044	S	71.2	Confident	62.2	Low	111 Å²	111	101.2 Å²	101.2	78%	0.776	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.5	-6.3	179	40.5	0	0	0	0	115.1	L1042	L1042-S1044 PolarHBondContact O-N 3.37Å
1045	S	66.3	Low	63.4	Low	111 Å²	111	100 Å²	100	78%	0.776	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-1.7	172.4	63.8	0	0	0	0	114.6	P1043	P1043-S1045 PolarHBondContact O-N 2.94Å
1046	H	59.7	Low	64.1	Low	105 Å²	105	101.8 Å²	101.8	49%	0.486	59%	0.586	S	S	.	*			trans	-87.2	111.9	-174.5	-146.9	-69.1	0	0	0	110.5	H1037 L1042 P1043 L1048	H1037-H1046 PolarHBondContact CE1-O 3.1Å; L1042-H1046 HydrophobicContact CB-CB 4.27Å; P1043-H1046 WeakPolarHBondContact O-CB 3.29Å; P1043-H1046 PolarHBondContact O-N 2.62Å; H1046-L1048 PolarHBondContact O-N 3.14Å; H1046-L1048 VanDerWaalsContact O-N 3.13Å
1047	E	60.4	Low	65.1	Low	186 Å²	186	100.9 Å²	100.9	87%	0.869	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-59.7	117.9	173.3	-82.6	-178.9	158	0	0	109.8
1048	L	57.7	Low	65.7	Low	58 Å²	58	102.1 Å²	102.1	30%	0.304	59%	0.593	S	S	.	*	P	Polyproline II helix	trans	-70.6	142	166.3	-83.2	160.3	0	0	0	108.8	I1036 H1037 F1040 L1042 H1046 V1052	I1036-L1048 HydrophobicContact CB-CD1 4.29Å; I1036-L1048 HydrophobicContact CD1-CD1 4.04Å; I1036-L1048 HydrophobicContact CG1-CD1 3.94Å; I1036-L1048 HydrophobicContact CG2-CD1 3.43Å; I1036-L1048 VanDerWaalsContact CG2-CD1 3.43Å; H1037-L1048 WeakPolarHBondContact CE1-CD1 3.35Å; H1037-L1048 WeakPolarHBondContact ND1-CD1 3.4Å; F1040-L1048 HydrophobicContact CD2-CD2 4.24Å; F1040-L1048 HydrophobicContact CE2-CD2 4.33Å; L1042-L1048 HydrophobicContact CD1-CD2 4.35Å; H1046-L1048 PolarHBondContact O-N 3.14Å; H1046-L1048 VanDerWaalsContact O-N 3.13Å; L1048-V1052 HydrophobicContact CD2-CG2 4.38Å
1049	T	58.6	Low	66.8	Low	107 Å²	107	100.8 Å²	100.8	66%	0.656	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-56.3	145.6	172.5	49.5	0	0	0	0	110.3	Q1051	T1049-Q1051 PolarHBondContact O-N 3.32Å; T1049-Q1051 PolarHBondContact OG1-O 3.48Å
1050	S	58.9	Low	67.7	Low	125 Å²	125	101.9 Å²	101.9	87%	0.874	59%	0.591	S	S	*	*	S	Bend	trans	-57.8	-11.2	-175	57.6	0	0	0	0	115.4
1051	Q	52	Low	68.5	Low	132 Å²	132	97 Å²	97	62%	0.617	57%	0.57	S	S	*	*			trans	-138	121.3	175.5	-66.1	178.4	-5.6	0	0	109.2	T1049 F1053	T1049-Q1051 PolarHBondContact O-N 3.32Å; T1049-Q1051 PolarHBondContact OG1-O 3.48Å; Q1051-F1053 HydrophobicContact CB-CE2 3.8Å; Q1051-F1053 HydrophobicContact CB-CZ 4.02Å
1052	V	54.6	Low	69.3	Low	77 Å²	77	96.5 Å²	96.5	47%	0.467	56%	0.555	S	S	.	*			trans	-110.8	136.4	167.2	-171.4	0	0	0	0	106.9	L1048	L1048-V1052 HydrophobicContact CD2-CG2 4.38Å
1053	F	60.7	Low	70.4	Confident	155 Å²	155	96.3 Å²	96.3	68%	0.68	55%	0.552	S	S	*	*			trans	-115	122.2	177	-61.4	-86.5	0	0	0	109	Q1051	Q1051-F1053 HydrophobicContact CB-CE2 3.8Å; Q1051-F1053 HydrophobicContact CB-CZ 4.02Å
1054	A	66	Low	71.6	Confident	106 Å²	106	93.2 Å²	93.2	88%	0.876	53%	0.531	S	S	*	.			trans	-89.1	128.7	165.5	0	0	0	0	0	108.2
1055	V	69.7	Low	72.4	Confident	88 Å²	88	95.6 Å²	95.6	53%	0.533	53%	0.534	S	S	.	.			trans	-118.9	119.5	175.5	-175.9	0	0	0	0	108.6	P1057 Y1137	V1055-P1057 VanDerWaalsContact O-CD 3.23Å; V1055-P1057 WeakPolarHBondContact O-CD 3.41Å; V1055-Y1137 HydrophobicContact CB-CD2 4.32Å; V1055-Y1137 HydrophobicContact CG1-CD2 3.71Å; V1055-Y1137 HydrophobicContact CG1-CE2 4.44Å
1056	T	79.1	Confident	73.4	Confident	129 Å²	129	92.2 Å²	92.2	79%	0.791	51%	0.51	S	S	*	.			trans	-81.5	109.2	167.9	-52.6	0	0	0	0	107.9
1057	P	85.6	Confident	75	Confident	52 Å²	52	88 Å²	88	34%	0.338	49%	0.492	S	S	.	.			trans	-65.1	147.1	176.4	28.2	-33.9	0	0	0	110.2	V1055 S1059 Y1137 H1139	V1055-P1057 VanDerWaalsContact O-CD 3.23Å; V1055-P1057 WeakPolarHBondContact O-CD 3.41Å; P1057-S1059 PolarHBondContact O-N 3.4Å; P1057-Y1137 CarbonylContact C-O 3.6Å; P1057-Y1137 WeakPolarHBondContact CA-O 3.22Å; P1057-H1139 HydrophobicContact CB-CB 3.78Å; P1057-H1139 HydrophobicContact CG-CB 3.59Å
1058	L	82.6	Confident	76.3	Confident	61 Å²	61	84 Å²	84	32%	0.319	47%	0.473	S	S	.	.	B	Isolated β-bridge	trans	-60.2	127.3	173	-63.1	175.9	0	0	0	109.5	W1060 C1134 Y1137 V1138 H1139	L1058-W1060 WeakPolarHBondContact CB-O 3.47Å; L1058-W1060 PolarHBondContact O-N 3.44Å; L1058-C1134 HydrophobicContact CD1-CB 4.27Å; L1058-Y1137 PolarHBondContact N-O 3.34Å; L1058-V1138 CarbonylContact O-C 3.55Å; L1058-V1138 WeakPolarHBondContact O-CA 3.48Å; L1058-H1139 PolarHBondContact O-N 3.46Å
1059	S	87.1	Confident	77.5	Confident	73 Å²	73	84.9 Å²	84.9	51%	0.51	48%	0.478	S	S	.	.	S	Bend	trans	-67.6	-18.2	172.3	59	0	0	0	0	112.5	P1057 H1139 N1140	P1057-S1059 PolarHBondContact O-N 3.4Å; S1059-H1139 CarbonylContact C-O 3.56Å; S1059-H1139 VanDerWaalsContact CA-O 3.23Å; S1059-H1139 WeakPolarHBondContact CA-O 3.45Å; S1059-N1140 WeakPolarHBondContact O-CB 3.47Å; S1059-N1140 PolarHBondContact O-ND2 2.89Å
1060	W	87.4	Confident	78.8	Confident	162 Å²	162	82.5 Å²	82.5	61%	0.614	46%	0.461	S	S	*	.			trans	-147.7	149.1	-178.9	-174.9	90	0	0	0	112.1	L1058 P1062	L1058-W1060 WeakPolarHBondContact CB-O 3.47Å; L1058-W1060 PolarHBondContact O-N 3.44Å; W1060-P1062 HydrophobicContact CH2-CB 3.67Å; W1060-P1062 HydrophobicContact CH2-CG 4.33Å; W1060-P1062 HydrophobicContact CZ2-CB 4.39Å; W1060-P1062 HydrophobicContact CZ3-CB 4.1Å; W1060-P1062 VanDerWaalsContact CZ3-CD 3.48Å; W1060-P1062 HydrophobicContact CZ3-CG 4.25Å
1061	C	83.2	Confident	79.9	Confident	1 Å²	1	81.7 Å²	81.7	1%	0.007	45%	0.453	C	S	.	.			trans	-149.2	135.6	176.5	165.7	0	0	0	0	109.5	H1063 L1064 C1134 V1138	C1061-H1063 PolarHBondContact O-N 2.91Å; C1061-H1063 VanDerWaalsContact O-N 3.11Å; C1061-H1063 PolarHBondContact SG-N 3.43Å; C1061-H1063 VanDerWaalsContact SG-N 3.37Å; C1061-H1063 PolarHBondContact SG-ND1 3.01Å; C1061-H1063 VanDerWaalsContact SG-ND1 3.45Å; C1061-L1064 HydrophobicContact CB-CD1 4.33Å; C1061-L1064 HydrophobicContact CB-CG 4.07Å; C1061-L1064 WeakPolarHBondContact O-CB 3.42Å; C1061-L1064 WeakPolarHBondContact O-CD1 3.34Å; C1061-L1064 VanDerWaalsContact O-CG 3.28Å; C1061-L1064 WeakPolarHBondContact O-CG 3.28Å; C1061-L1064 PolarHBondContact O-N 3.35Å; C1061-C1134 PolarHBondContact SG-SG 3.06Å; C1061-V1138 HydrophobicContact CB-CG1 3.87Å; C1061-V1138 HydrophobicContact CB-CG2 3.86Å
1062	P	78.2	Confident	81.5	Confident	57 Å²	57	82.2 Å²	82.2	37%	0.37	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-62.7	-22.3	-179.3	24.9	-32.8	0	0	0	112.7	W1060 L1064 I1065	W1060-P1062 HydrophobicContact CH2-CB 3.67Å; W1060-P1062 HydrophobicContact CH2-CG 4.33Å; W1060-P1062 HydrophobicContact CZ2-CB 4.39Å; W1060-P1062 HydrophobicContact CZ3-CB 4.1Å; W1060-P1062 VanDerWaalsContact CZ3-CD 3.48Å; W1060-P1062 HydrophobicContact CZ3-CG 4.25Å; P1062-L1064 VanDerWaalsContact C-N 3.3Å; P1062-L1064 PolarHBondContact O-N 3.29Å; P1062-I1065 WeakPolarHBondContact O-CG1 3.45Å
1063	H	92.6	Very high	83.3	Confident	48 Å²	48	80.3 Å²	80.3	22%	0.222	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-83.1	-2	179.5	-47.3	103.2	0	0	0	113.6	C1061 I1065 S1066 I1120 C1131 Q1133 C1134	C1061-H1063 PolarHBondContact O-N 2.91Å; C1061-H1063 VanDerWaalsContact O-N 3.11Å; C1061-H1063 PolarHBondContact SG-N 3.43Å; C1061-H1063 VanDerWaalsContact SG-N 3.37Å; C1061-H1063 PolarHBondContact SG-ND1 3.01Å; C1061-H1063 VanDerWaalsContact SG-ND1 3.45Å; H1063-I1065 PolarHBondContact O-N 2.91Å; H1063-S1066 WeakPolarHBondContact O-CB 3.48Å; H1063-S1066 PolarHBondContact O-N 3.11Å; H1063-S1066 PolarHBondContact O-OG 2.8Å; H1063-I1120 HydrophobicContact CB-CD1 4.06Å; H1063-I1120 HydrophobicContact CB-CG1 4.19Å; H1063-I1120 WeakPolarHBondContact O-CG1 3.26Å; H1063-C1131 PolarHBondContact ND1-SG 2.92Å; H1063-Q1133 VanDerWaalsContact CE1-CB 3.42Å; H1063-Q1133 WeakPolarHBondContact CE1-CB 3.38Å; H1063-Q1133 WeakPolarHBondContact CE1-CG 3.44Å; H1063-Q1133 VanDerWaalsContact NE2-CG 3.3Å; H1063-Q1133 WeakPolarHBondContact NE2-CG 3.24Å; H1063-C1134 VanDerWaalsContact CE1-SG 3.52Å; H1063-C1134 PolarHBondContact ND1-SG 3.25Å
1064	L	92.4	Very high	84.8	Confident	14 Å²	14	82 Å²	82	7%	0.073	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-57.9	-27.3	171.8	-72.8	168.4	0	0	0	112	C1061 P1062 S1066 V1067 V1138 N1140 L1143	C1061-L1064 HydrophobicContact CB-CD1 4.33Å; C1061-L1064 HydrophobicContact CB-CG 4.07Å; C1061-L1064 WeakPolarHBondContact O-CB 3.42Å; C1061-L1064 WeakPolarHBondContact O-CD1 3.34Å; C1061-L1064 VanDerWaalsContact O-CG 3.28Å; C1061-L1064 WeakPolarHBondContact O-CG 3.28Å; C1061-L1064 PolarHBondContact O-N 3.35Å; P1062-L1064 VanDerWaalsContact C-N 3.3Å; P1062-L1064 PolarHBondContact O-N 3.29Å; L1064-S1066 PolarHBondContact O-N 2.98Å; L1064-S1066 VanDerWaalsContact O-N 3.15Å; L1064-V1067 VanDerWaalsContact O-CB 3.31Å; L1064-V1067 WeakPolarHBondContact O-CB 3.25Å; L1064-V1067 WeakPolarHBondContact O-CG2 3.44Å; L1064-V1067 PolarHBondContact O-N 3.03Å; L1064-V1138 HydrophobicContact CD1-CG1 4.45Å; L1064-V1138 HydrophobicContact CD2-CG1 4.01Å; L1064-V1138 HydrophobicContact CG-CG1 4.41Å; L1064-N1140 HydrophobicContact CD1-CB 3.64Å; L1064-N1140 VanDerWaalsContact CD1-CG 3.43Å; L1064-N1140 HydrophobicContact CD2-CB 4.17Å; L1064-L1143 HydrophobicContact CD2-CD1 3.89Å; L1064-L1143 HydrophobicContact CD2-CD2 3.82Å; L1064-L1143 HydrophobicContact CD2-CG 3.77Å
1065	I	86.8	Confident	86.1	Confident	161 Å²	161	77.6 Å²	77.6	83%	0.826	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-59.9	-22.3	174	69.5	-178.9	0	0	0	113.5	P1062 H1063 V1067	P1062-I1065 WeakPolarHBondContact O-CG1 3.45Å; H1063-I1065 PolarHBondContact O-N 2.91Å; I1065-V1067 VanDerWaalsContact C-N 3.31Å
1066	S	88.2	Confident	87.3	Confident	39 Å²	39	77.7 Å²	77.7	27%	0.273	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-84.3	-6.7	179.3	71.4	0	0	0	0	113.2	H1063 L1064 H1068 S1095	H1063-S1066 WeakPolarHBondContact O-CB 3.48Å; H1063-S1066 PolarHBondContact O-N 3.11Å; H1063-S1066 PolarHBondContact O-OG 2.8Å; L1064-S1066 PolarHBondContact O-N 2.98Å; L1064-S1066 VanDerWaalsContact O-N 3.15Å; S1066-H1068 PolarHBondContact O-N 3.25Å; S1066-S1095 WeakPolarHBondContact O-CA 3.35Å; S1066-S1095 VanDerWaalsContact O-CB 3.3Å; S1066-S1095 WeakPolarHBondContact O-CB 3.41Å; S1066-S1095 PolarHBondContact O-OG 3.11Å
1067	V	92.7	Very high	88	Confident	17 Å²	17	73.8 Å²	73.8	10%	0.103	39%	0.385	C	S	.	.			trans	-74.3	120	178.6	174.2	0	0	0	0	108.8	L1064 I1065 L1094 I1120 L1143	L1064-V1067 VanDerWaalsContact O-CB 3.31Å; L1064-V1067 WeakPolarHBondContact O-CB 3.25Å; L1064-V1067 WeakPolarHBondContact O-CG2 3.44Å; L1064-V1067 PolarHBondContact O-N 3.03Å; I1065-V1067 VanDerWaalsContact C-N 3.31Å; V1067-L1094 HydrophobicContact CG1-CB 4.16Å; V1067-L1094 HydrophobicContact CG1-CD1 4.48Å; V1067-L1094 HydrophobicContact CG2-CB 4.23Å; V1067-I1120 HydrophobicContact CG2-CB 3.91Å; V1067-I1120 HydrophobicContact CG2-CG1 4Å; V1067-I1120 HydrophobicContact CG2-CG2 3.89Å; V1067-L1143 HydrophobicContact CG1-CD2 4.36Å; V1067-L1143 HydrophobicContact CG2-CD2 3.82Å
1068	H	88.8	Confident	88.4	Confident	103 Å²	103	77 Å²	77	48%	0.477	40%	0.4	S	S	.	.			trans	-81.6	122.3	173.8	-175.2	-156.2	0	0	0	109	S1066 L1094 Y1097	S1066-H1068 PolarHBondContact O-N 3.25Å; H1068-L1094 PolarHBondContact N-O 2.64Å; H1068-Y1097 AromaticContact ND1-CE2 3.9Å; H1068-Y1097 PolarHBondContact O-OH 2.95Å
1069	N	83	Confident	88.9	Confident	76 Å²	76	75.6 Å²	75.6	41%	0.406	39%	0.394	S	S	.	.			trans	-97.9	99.1	177.8	-168.8	10.5	0	0	0	111.4	M1146	N1069-M1146 WeakPolarHBondContact OD1-CE 3.33Å
1070	N	85.3	Confident	89.3	Confident	56 Å²	56	75.9 Å²	75.9	30%	0.299	39%	0.39	S	S	.	.			trans	-108.5	103.3	170.3	-179.8	2.5	0	0	0	110.5	N1072 W1073 Y1097	N1070-N1072 PolarHBondContact O-N 2.72Å; N1070-N1072 VanDerWaalsContact O-N 3.12Å; N1070-N1072 PolarHBondContact OD1-N 3.06Å; N1070-W1073 HydrophobicContact CB-CB 4.02Å; N1070-W1073 WeakPolarHBondContact O-CB 3.27Å; N1070-W1073 PolarHBondContact O-N 3.2Å; N1070-W1073 VanDerWaalsContact O-N 3.11Å; N1070-Y1097 HydrophobicContact CB-CE2 4.03Å; N1070-Y1097 WeakPolarHBondContact CB-OH 3.4Å; N1070-Y1097 PolarHBondContact N-OH 2.81Å; N1070-Y1097 VanDerWaalsContact N-OH 3.16Å
1071	P	81.3	Confident	89.8	Confident	109 Å²	109	68.2 Å²	68.2	71%	0.708	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.9	-179.8	-22.7	32.8	0	0	0	114.5
1072	N	86.6	Confident	90.5	Very high	142 Å²	142	72.8 Å²	72.8	76%	0.759	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	4.3	-178.2	-64.5	-38.5	0	0	0	113	N1070 K1074	N1070-N1072 PolarHBondContact O-N 2.72Å; N1070-N1072 VanDerWaalsContact O-N 3.12Å; N1070-N1072 PolarHBondContact OD1-N 3.06Å; N1072-K1074 PolarHBondContact O-N 2.88Å
1073	W	92.2	Very high	91.2	Very high	37 Å²	37	73.3 Å²	73.3	14%	0.14	39%	0.39	C	S	.	.			trans	-67.5	126.9	178.7	177.4	57.3	0	0	0	110.8	N1070 P1075 V1092 Y1097 M1146 A1149 V1150	N1070-W1073 HydrophobicContact CB-CB 4.02Å; N1070-W1073 WeakPolarHBondContact O-CB 3.27Å; N1070-W1073 PolarHBondContact O-N 3.2Å; N1070-W1073 VanDerWaalsContact O-N 3.11Å; W1073-P1075 HydrophobicContact CD2-CB 4.5Å; W1073-P1075 HydrophobicContact CE3-CG 4.38Å; W1073-P1075 HydrophobicContact CH2-CB 3.7Å; W1073-P1075 HydrophobicContact CH2-CG 4.26Å; W1073-P1075 HydrophobicContact CZ2-CB 3.64Å; W1073-P1075 HydrophobicContact CZ2-CG 4.49Å; W1073-P1075 HydrophobicContact CZ3-CB 4.14Å; W1073-P1075 HydrophobicContact CZ3-CG 4.19Å; W1073-P1075 WeakPolarHBondContact O-CD 3.28Å; W1073-V1092 HydrophobicContact CH2-CG1 4.04Å; W1073-V1092 HydrophobicContact CH2-CG2 3.95Å; W1073-V1092 HydrophobicContact CZ2-CG2 3.83Å; W1073-Y1097 HydrophobicContact CB-CE2 4.43Å; W1073-Y1097 AromaticContact CD1-CD2 3.94Å; W1073-Y1097 HydrophobicContact CD2-CD1 4.07Å; W1073-Y1097 HydrophobicContact CD2-CE1 4.07Å; W1073-Y1097 HydrophobicContact CD2-CE2 4.47Å; W1073-Y1097 HydrophobicContact CD2-CG 4.3Å; W1073-Y1097 AromaticContact CE2-CD1 3.78Å; W1073-Y1097 AromaticContact CE2-CG 3.81Å; W1073-Y1097 HydrophobicContact CE3-CD1 4.38Å; W1073-Y1097 HydrophobicContact CE3-CE1 4.14Å; W1073-Y1097 HydrophobicContact CG-CD2 4.27Å; W1073-Y1097 HydrophobicContact CG-CE2 4.13Å; W1073-Y1097 HydrophobicContact CH2-CD1 4.13Å; W1073-Y1097 AromaticContact CZ2-CD1 3.83Å; W1073-Y1097 HydrophobicContact CZ2-CD1 3.83Å; W1073-Y1097 HydrophobicContact CZ2-CG 4.13Å; W1073-Y1097 HydrophobicContact CZ3-CD1 4.41Å; W1073-Y1097 HydrophobicContact CZ3-CE1 4.36Å; W1073-Y1097 AromaticContact NE1-CD2 3.98Å; W1073-Y1097 AromaticContact NE1-CG 3.77Å; W1073-M1146 HydrophobicContact CD2-SD 4.44Å; W1073-M1146 HydrophobicContact CE3-SD 3.39Å; W1073-M1146 HydrophobicContact CZ3-SD 3.56Å; W1073-M1146 VanDerWaalsContact CZ3-SD 3.56Å; W1073-A1149 HydrophobicContact CE3-CB 4.4Å; W1073-V1150 HydrophobicContact CH2-CG2 3.99Å; W1073-V1150 HydrophobicContact CZ3-CG2 3.93Å
1074	K	91.3	Very high	91.3	Very high	192 Å²	192	73.5 Å²	73.5	84%	0.835	40%	0.396	S	S	*	.			trans	-109.4	98.3	175.2	-66.8	-175.3	179.2	-176	0	108.5	N1072	N1072-K1074 PolarHBondContact O-N 2.88Å
1075	P	94.5	Very high	91.2	Very high	13 Å²	13	78.4 Å²	78.4	8%	0.084	42%	0.423	C	S	.	.			trans	-66	139.6	177.3	22.7	-29	0	0	0	111.2	W1073 Y1124 A1149 V1150 A1153	W1073-P1075 HydrophobicContact CD2-CB 4.5Å; W1073-P1075 HydrophobicContact CE3-CG 4.38Å; W1073-P1075 HydrophobicContact CH2-CB 3.7Å; W1073-P1075 HydrophobicContact CH2-CG 4.26Å; W1073-P1075 HydrophobicContact CZ2-CB 3.64Å; W1073-P1075 HydrophobicContact CZ2-CG 4.49Å; W1073-P1075 HydrophobicContact CZ3-CB 4.14Å; W1073-P1075 HydrophobicContact CZ3-CG 4.19Å; W1073-P1075 WeakPolarHBondContact O-CD 3.28Å; P1075-Y1124 HydrophobicContact CB-CE1 4.33Å; P1075-A1149 HydrophobicContact CG-CB 4.15Å; P1075-A1149 WeakPolarHBondContact CG-O 3.43Å; P1075-V1150 HydrophobicContact CB-CG2 3.93Å; P1075-V1150 HydrophobicContact CG-CB 4.25Å; P1075-V1150 HydrophobicContact CG-CG2 3.69Å; P1075-A1153 HydrophobicContact CG-CB 3.91Å; P1075-A1153 WeakPolarHBondContact O-CB 3.22Å
1076	D	94.6	Very high	91.4	Very high	90 Å²	90	73.6 Å²	73.6	48%	0.481	40%	0.397	S	S	.	.			trans	-98	103.4	165.2	176.4	9.2	0	0	0	108.7	N1078 S1079 Y1124	D1076-N1078 PolarHBondContact O-N 2.78Å; D1076-N1078 PolarHBondContact OD1-N 3.32Å; D1076-S1079 WeakPolarHBondContact CB-OG 3.2Å; D1076-S1079 VanDerWaalsContact O-CB 3.24Å; D1076-S1079 WeakPolarHBondContact O-CB 3.23Å; D1076-S1079 PolarHBondContact O-N 2.9Å; D1076-S1079 PolarHBondContact O-OG 3.08Å; D1076-Y1124 WeakPolarHBondContact O-CE2 3.15Å
1077	I	93.5	Very high	91.4	Very high	46 Å²	46	75.3 Å²	75.3	24%	0.236	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-16.2	-178.5	57.7	133.7	0	0	0	113.7	S1079 V1150 A1153 K1154	I1077-S1079 VanDerWaalsContact C-N 3.33Å; I1077-V1150 HydrophobicContact CG2-CG1 4.09Å; I1077-A1153 HydrophobicContact CG2-CB 3.93Å; I1077-K1154 HydrophobicContact CD1-CB 4.39Å; I1077-K1154 HydrophobicContact CD1-CG 4.35Å; I1077-K1154 HydrophobicContact CG2-CB 4.14Å
1078	N	93.1	Very high	91.1	Very high	121 Å²	121	79.7 Å²	79.7	65%	0.647	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	4.3	176.1	-58.5	-59.2	0	0	0	112.5	D1076 L1080	D1076-N1078 PolarHBondContact O-N 2.78Å; D1076-N1078 PolarHBondContact OD1-N 3.32Å; N1078-L1080 PolarHBondContact O-N 3.36Å
1079	S	93.9	Very high	91.2	Very high	30 Å²	30	79.4 Å²	79.4	21%	0.21	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-53.1	124.4	177.7	-65.8	0	0	0	0	110.5	D1076 I1077 N1090	D1076-S1079 WeakPolarHBondContact CB-OG 3.2Å; D1076-S1079 VanDerWaalsContact O-CB 3.24Å; D1076-S1079 WeakPolarHBondContact O-CB 3.23Å; D1076-S1079 PolarHBondContact O-N 2.9Å; D1076-S1079 PolarHBondContact O-OG 3.08Å; I1077-S1079 VanDerWaalsContact C-N 3.33Å; S1079-N1090 PolarHBondContact O-ND2 3.16Å
1080	L	96.7	Very high	91.8	Very high	80 Å²	80	76.1 Å²	76.1	42%	0.419	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-73	158.1	173.6	-56.4	179.8	0	0	0	110.2	N1078 N1082 N1085	N1078-L1080 PolarHBondContact O-N 3.36Å; L1080-N1082 PolarHBondContact O-N 3.18Å; L1080-N1085 HydrophobicContact CD1-CB 4.19Å
1081	C	97.2	Very high	92.4	Very high	0 Å²	0	74 Å²	74	0%	0	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-60.7	126	172.7	170.3	0	0	0	0	110.5	S1083 C1084 N1085 H1086 N1090 C1101	C1081-S1083 PolarHBondContact O-N 3.32Å; C1081-S1083 PolarHBondContact SG-N 2.94Å; C1081-S1083 VanDerWaalsContact SG-N 3.43Å; C1081-C1084 PolarHBondContact O-N 3.29Å; C1081-C1084 VanDerWaalsContact SG-SG 3.69Å; C1081-N1085 WeakPolarHBondContact O-CA 3.21Å; C1081-N1085 PolarHBondContact O-N 3.47Å; C1081-H1086 HydrophobicContact CB-CB 4.04Å; C1081-H1086 PolarHBondContact N-O 3.18Å; C1081-N1090 PolarHBondContact N-ND2 3.32Å; C1081-C1101 HydrophobicContact CB-CB 3.99Å; C1081-C1101 PolarHBondContact SG-N 3.01Å; C1081-C1101 VanDerWaalsContact SG-N 3.37Å; C1081-C1101 PolarHBondContact SG-SG 3.41Å
1082	N	97.1	Very high	93.2	Very high	98 Å²	98	68.8 Å²	68.8	52%	0.524	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.5	-178.9	-75.3	7.6	0	0	0	114.6	L1080 V1099 Y1100	L1080-N1082 PolarHBondContact O-N 3.18Å; N1082-V1099 WeakPolarHBondContact CB-O 3.4Å; N1082-V1099 PolarHBondContact N-O 2.94Å; N1082-V1099 PolarHBondContact OD1-O 3Å; N1082-Y1100 HydrophobicContact CB-CD1 4.06Å; N1082-Y1100 HydrophobicContact CB-CE1 3.61Å
1083	S	93.8	Very high	93.8	Very high	68 Å²	68	62 Å²	62	48%	0.476	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-41.7	-179.3	-59	0	0	0	0	113.8	C1081 Y1100	C1081-S1083 PolarHBondContact O-N 3.32Å; C1081-S1083 PolarHBondContact SG-N 2.94Å; C1081-S1083 VanDerWaalsContact SG-N 3.43Å; S1083-Y1100 WeakPolarHBondContact OG-CD1 3.42Å; S1083-Y1100 WeakPolarHBondContact OG-CE1 3.36Å
1084	C	93.9	Very high	94	Very high	51 Å²	51	60.2 Å²	60.2	35%	0.345	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	6.4	-172.6	65.6	0	0	0	0	115.4	C1081 H1086 H1108	C1081-C1084 PolarHBondContact O-N 3.29Å; C1081-C1084 VanDerWaalsContact SG-SG 3.69Å; C1084-H1086 PolarHBondContact O-N 3.09Å; C1084-H1086 VanDerWaalsContact O-N 3.14Å; C1084-H1086 VanDerWaalsContact SG-CB 3.6Å; C1084-H1108 PolarHBondContact SG-CE1 3.45Å; C1084-H1108 PolarHBondContact SG-ND1 2.95Å; C1084-H1108 VanDerWaalsContact SG-ND1 3.4Å
1085	N	90.5	Very high	94.2	Very high	117 Å²	117	51.9 Å²	51.9	63%	0.626	29%	0.29	S	S	*	.			trans	58.9	19.5	-177.4	-59.4	-40.3	0	0	0	115	L1080 C1081 S1087	L1080-N1085 HydrophobicContact CD1-CB 4.19Å; C1081-N1085 WeakPolarHBondContact O-CA 3.21Å; C1081-N1085 PolarHBondContact O-N 3.47Å; N1085-S1087 PolarHBondContact O-N 2.87Å
1086	H	90.6	Very high	94.3	Very high	61 Å²	61	53.5 Å²	53.5	28%	0.282	30%	0.3	S	S	.	.			trans	-59.4	136.5	172.8	-166.8	-89.7	0	0	0	110.3	C1081 C1084 N1088 N1090 C1101	C1081-H1086 HydrophobicContact CB-CB 4.04Å; C1081-H1086 PolarHBondContact N-O 3.18Å; C1084-H1086 PolarHBondContact O-N 3.09Å; C1084-H1086 VanDerWaalsContact O-N 3.14Å; C1084-H1086 VanDerWaalsContact SG-CB 3.6Å; H1086-N1088 PolarHBondContact CE1-O 2.94Å; H1086-N1088 PolarHBondContact ND1-N 2.8Å; H1086-N1088 PolarHBondContact ND1-O 3.21Å; H1086-N1090 PolarHBondContact O-ND2 2.77Å; H1086-N1090 PolarHBondContact O-OD1 2.71Å; H1086-C1101 HydrophobicContact CB-CB 3.98Å
1087	S	88.5	Confident	94.4	Very high	75 Å²	75	51.1 Å²	51.1	52%	0.524	29%	0.285	S	S	.	.			trans	-99.4	-18.5	-171.5	63.3	0	0	0	0	114.7	N1085	N1085-S1087 PolarHBondContact O-N 2.87Å
1088	N	86.7	Confident	94.5	Very high	108 Å²	108	50.4 Å²	50.4	58%	0.578	28%	0.284	S	S	*	.	S	Bend	trans	-113.8	163.1	-173.8	-60.3	-12.7	0	0	0	110.6	H1086 N1090	H1086-N1088 PolarHBondContact CE1-O 2.94Å; H1086-N1088 PolarHBondContact ND1-N 2.8Å; H1086-N1088 PolarHBondContact ND1-O 3.21Å; N1088-N1090 PolarHBondContact O-N 3.23Å; N1088-N1090 VanDerWaalsContact O-N 3.09Å; N1088-N1090 PolarHBondContact O-OD1 2.97Å
1089	E	90.6	Very high	94.8	Very high	98 Å²	98	45 Å²	45	46%	0.458	26%	0.255	S	S	.	.	S	Bend	trans	52.2	35.8	177.2	-70.9	-62.4	146.2	0	0	113.1	W1091 G1102 A1105	E1089-W1091 VanDerWaalsContact O-CD1 3.24Å; E1089-G1102 PolarHBondContact O-N 3.35Å; E1089-A1105 HydrophobicContact CB-CB 3.91Å
1090	N	96.6	Very high	95	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.032	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	136.8	178.8	-74.9	-13.5	0	0	0	110.4	S1079 C1081 H1086 N1088 V1099 C1101 Y1124	S1079-N1090 PolarHBondContact O-ND2 3.16Å; C1081-N1090 PolarHBondContact N-ND2 3.32Å; H1086-N1090 PolarHBondContact O-ND2 2.77Å; H1086-N1090 PolarHBondContact O-OD1 2.71Å; N1088-N1090 PolarHBondContact O-N 3.23Å; N1088-N1090 VanDerWaalsContact O-N 3.09Å; N1088-N1090 PolarHBondContact O-OD1 2.97Å; N1090-V1099 HydrophobicContact CB-CG1 3.81Å; N1090-C1101 VanDerWaalsContact OD1-CA 3.3Å; N1090-C1101 WeakPolarHBondContact OD1-CA 3.44Å; N1090-C1101 WeakPolarHBondContact OD1-CB 3.25Å; N1090-C1101 PolarHBondContact OD1-N 3.02Å; N1090-Y1124 WeakPolarHBondContact O-CB 3.21Å; N1090-Y1124 PolarHBondContact O-N 3.09Å
1091	W	98.1	Very high	95	Very high	11 Å²	11	41.5 Å²	41.5	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	148.5	178.4	-67.1	64.4	0	0	0	108	E1089 V1099 Y1100 G1102 M1109 V1121 L1122 S1123 S1128 W1130	E1089-W1091 VanDerWaalsContact O-CD1 3.24Å; W1091-V1099 WeakPolarHBondContact O-CA 3.5Å; W1091-Y1100 PolarHBondContact N-O 3.25Å; W1091-Y1100 PolarHBondContact O-N 3.02Å; W1091-G1102 VanDerWaalsContact CD1-CA 3.41Å; W1091-M1109 HydrophobicContact CB-CE 3.75Å; W1091-M1109 HydrophobicContact CB-CG 4.21Å; W1091-M1109 WeakPolarHBondContact O-CE 3.36Å; W1091-V1121 HydrophobicContact CD2-CG2 4.34Å; W1091-V1121 HydrophobicContact CE3-CB 4.03Å; W1091-V1121 HydrophobicContact CE3-CG2 3.46Å; W1091-V1121 VanDerWaalsContact CE3-CG2 3.46Å; W1091-V1121 HydrophobicContact CZ3-CG2 3.94Å; W1091-L1122 CarbonylContact C-O 3.42Å; W1091-L1122 VanDerWaalsContact CA-O 3.29Å; W1091-L1122 WeakPolarHBondContact CA-O 3.45Å; W1091-S1123 VanDerWaalsContact CE3-N 3.32Å; W1091-S1128 WeakPolarHBondContact CH2-OG 3.38Å; W1091-W1130 HydrophobicContact CH2-CB 4.08Å; W1091-W1130 HydrophobicContact CZ3-CB 3.66Å
1092	V	97.8	Very high	94.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132.9	172.1	61.8	0	0	0	0	109.9	W1073 L1094 V1099 V1121 L1122 Y1124	W1073-V1092 HydrophobicContact CH2-CG1 4.04Å; W1073-V1092 HydrophobicContact CH2-CG2 3.95Å; W1073-V1092 HydrophobicContact CZ2-CG2 3.83Å; V1092-L1094 HydrophobicContact CG1-CD2 4.14Å; V1092-L1094 PolarHBondContact O-N 3.12Å; V1092-V1099 HydrophobicContact CB-CG2 4.16Å; V1092-V1099 HydrophobicContact CG2-CG2 4.12Å; V1092-V1121 CarbonylContact O-C 3.57Å; V1092-V1121 VanDerWaalsContact O-CA 3.31Å; V1092-V1121 WeakPolarHBondContact O-CA 3.37Å; V1092-L1122 HydrophobicContact CG1-CB 3.93Å; V1092-L1122 HydrophobicContact CG1-CD2 4.09Å; V1092-L1122 WeakPolarHBondContact CG1-O 3.34Å; V1092-L1122 PolarHBondContact N-O 3.19Å; V1092-L1122 PolarHBondContact O-N 3.02Å; V1092-Y1124 HydrophobicContact CB-CE1 3.83Å; V1092-Y1124 HydrophobicContact CB-CE2 4.42Å; V1092-Y1124 HydrophobicContact CG1-CD1 4.12Å; V1092-Y1124 HydrophobicContact CG1-CE1 3.42Å; V1092-Y1124 VanDerWaalsContact CG1-CE1 3.42Å
1093	C	97.9	Very high	94.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	123	170.8	175.1	0	0	0	0	110.2	S1095 Y1097 S1098 M1109 H1112 H1118	C1093-S1095 PolarHBondContact O-N 3.46Å; C1093-S1095 PolarHBondContact SG-N 2.84Å; C1093-Y1097 WeakPolarHBondContact O-CA 3.37Å; C1093-Y1097 PolarHBondContact O-N 2.58Å; C1093-S1098 PolarHBondContact N-O 3.17Å; C1093-M1109 HydrophobicContact CB-CE 4.41Å; C1093-M1109 HydrophobicContact CB-SD 4.35Å; C1093-H1112 PolarHBondContact SG-NE2 2.87Å; C1093-H1118 WeakPolarHBondContact SG-CB 3.11Å; C1093-H1118 PolarHBondContact SG-ND1 3.41Å
1094	L	97.2	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-3.1	-179.1	-63.7	-168.6	0	0	0	114	V1067 H1068 V1092 I1120 L1122 T1129 L1143 M1146	V1067-L1094 HydrophobicContact CG1-CB 4.16Å; V1067-L1094 HydrophobicContact CG1-CD1 4.48Å; V1067-L1094 HydrophobicContact CG2-CB 4.23Å; H1068-L1094 PolarHBondContact N-O 2.64Å; V1092-L1094 HydrophobicContact CG1-CD2 4.14Å; V1092-L1094 PolarHBondContact O-N 3.12Å; L1094-I1120 HydrophobicContact CB-CG2 4.31Å; L1094-I1120 HydrophobicContact CD1-CG2 3.83Å; L1094-I1120 HydrophobicContact CG-CG2 4.33Å; L1094-I1120 PolarHBondContact N-O 3.11Å; L1094-L1122 HydrophobicContact CD1-CB 4.16Å; L1094-L1122 HydrophobicContact CD2-CB 3.83Å; L1094-L1122 HydrophobicContact CD2-CD1 4.49Å; L1094-L1122 HydrophobicContact CG-CB 4.08Å; L1094-T1129 HydrophobicContact CD1-CG2 4.28Å; L1094-L1143 HydrophobicContact CD1-CD2 3.64Å; L1094-M1146 HydrophobicContact CD1-CB 4.43Å; L1094-M1146 HydrophobicContact CD2-CB 4.13Å; L1094-M1146 HydrophobicContact CD2-CG 4.19Å
1095	S	95.9	Very high	93.7	Very high	17 Å²	17	43 Å²	43	12%	0.119	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-37.4	172.8	-53.8	0	0	0	0	112.7	S1066 C1093 H1118	S1066-S1095 WeakPolarHBondContact O-CA 3.35Å; S1066-S1095 VanDerWaalsContact O-CB 3.3Å; S1066-S1095 WeakPolarHBondContact O-CB 3.41Å; S1066-S1095 PolarHBondContact O-OG 3.11Å; C1093-S1095 PolarHBondContact O-N 3.46Å; C1093-S1095 PolarHBondContact SG-N 2.84Å; S1095-H1118 WeakPolarHBondContact CB-CD2 3.42Å
1096	C	95.9	Very high	93.8	Very high	46 Å²	46	42.1 Å²	42.1	31%	0.311	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-0.2	-174.6	72.5	0	0	0	0	115.5	S1098 H1112	C1096-S1098 PolarHBondContact O-N 3.05Å; C1096-S1098 VanDerWaalsContact O-N 3.08Å; C1096-S1098 PolarHBondContact SG-OG 3.31Å; C1096-H1112 PolarHBondContact SG-CE1 3.49Å; C1096-H1112 PolarHBondContact SG-NE2 2.93Å; C1096-H1112 VanDerWaalsContact SG-NE2 3.38Å
1097	Y	96.1	Very high	94	Very high	40 Å²	40	41.2 Å²	41.2	16%	0.157	21%	0.213	C	C	.	.			trans	58.8	14.4	-178.9	-50.3	-45.3	0	0	0	116.3	H1068 N1070 W1073 C1093 M1146	H1068-Y1097 AromaticContact ND1-CE2 3.9Å; H1068-Y1097 PolarHBondContact O-OH 2.95Å; N1070-Y1097 HydrophobicContact CB-CE2 4.03Å; N1070-Y1097 WeakPolarHBondContact CB-OH 3.4Å; N1070-Y1097 PolarHBondContact N-OH 2.81Å; N1070-Y1097 VanDerWaalsContact N-OH 3.16Å; W1073-Y1097 HydrophobicContact CB-CE2 4.43Å; W1073-Y1097 AromaticContact CD1-CD2 3.94Å; W1073-Y1097 HydrophobicContact CD2-CD1 4.07Å; W1073-Y1097 HydrophobicContact CD2-CE1 4.07Å; W1073-Y1097 HydrophobicContact CD2-CE2 4.47Å; W1073-Y1097 HydrophobicContact CD2-CG 4.3Å; W1073-Y1097 AromaticContact CE2-CD1 3.78Å; W1073-Y1097 AromaticContact CE2-CG 3.81Å; W1073-Y1097 HydrophobicContact CE3-CD1 4.38Å; W1073-Y1097 HydrophobicContact CE3-CE1 4.14Å; W1073-Y1097 HydrophobicContact CG-CD2 4.27Å; W1073-Y1097 HydrophobicContact CG-CE2 4.13Å; W1073-Y1097 HydrophobicContact CH2-CD1 4.13Å; W1073-Y1097 AromaticContact CZ2-CD1 3.83Å; W1073-Y1097 HydrophobicContact CZ2-CD1 3.83Å; W1073-Y1097 HydrophobicContact CZ2-CG 4.13Å; W1073-Y1097 HydrophobicContact CZ3-CD1 4.41Å; W1073-Y1097 HydrophobicContact CZ3-CE1 4.36Å; W1073-Y1097 AromaticContact NE1-CD2 3.98Å; W1073-Y1097 AromaticContact NE1-CG 3.77Å; C1093-Y1097 WeakPolarHBondContact O-CA 3.37Å; C1093-Y1097 PolarHBondContact O-N 2.58Å; Y1097-M1146 HydrophobicContact CE1-SD 3.83Å; Y1097-M1146 WeakPolarHBondContact OH-CE 3.41Å
1098	S	97.1	Very high	94.5	Very high	32 Å²	32	39.2 Å²	39.2	22%	0.224	20%	0.195	C	C	.	.			trans	-71.6	142.2	171	-63.8	0	0	0	0	111	C1093 C1096 Y1100	C1093-S1098 PolarHBondContact N-O 3.17Å; C1096-S1098 PolarHBondContact O-N 3.05Å; C1096-S1098 VanDerWaalsContact O-N 3.08Å; C1096-S1098 PolarHBondContact SG-OG 3.31Å; S1098-Y1100 VanDerWaalsContact CB-CE2 3.45Å
1099	V	98.1	Very high	95	Very high	6 Å²	6	34 Å²	34	4%	0.036	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.9	-176.8	-179.3	0	0	0	0	110.2	N1082 N1090 W1091 V1092 Y1124	N1082-V1099 WeakPolarHBondContact CB-O 3.4Å; N1082-V1099 PolarHBondContact N-O 2.94Å; N1082-V1099 PolarHBondContact OD1-O 3Å; N1090-V1099 HydrophobicContact CB-CG1 3.81Å; W1091-V1099 WeakPolarHBondContact O-CA 3.5Å; V1092-V1099 HydrophobicContact CB-CG2 4.16Å; V1092-V1099 HydrophobicContact CG2-CG2 4.12Å; V1099-Y1124 HydrophobicContact CG1-CE2 4.27Å; V1099-Y1124 HydrophobicContact CG2-CE2 3.94Å
1100	Y	98.3	Very high	95.2	Very high	38 Å²	38	31.7 Å²	31.7	15%	0.149	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	155.1	177.2	-60.7	-85.4	0	0	0	110.4	N1082 S1083 W1091 S1098 H1108 M1109 H1112	N1082-Y1100 HydrophobicContact CB-CD1 4.06Å; N1082-Y1100 HydrophobicContact CB-CE1 3.61Å; S1083-Y1100 WeakPolarHBondContact OG-CD1 3.42Å; S1083-Y1100 WeakPolarHBondContact OG-CE1 3.36Å; W1091-Y1100 PolarHBondContact N-O 3.25Å; W1091-Y1100 PolarHBondContact O-N 3.02Å; S1098-Y1100 VanDerWaalsContact CB-CE2 3.45Å; Y1100-H1108 HydrophobicContact CD1-CB 3.94Å; Y1100-H1108 HydrophobicContact CG-CB 4.33Å; Y1100-M1109 HydrophobicContact CD2-CE 3.95Å; Y1100-M1109 HydrophobicContact CD2-SD 4.02Å; Y1100-M1109 HydrophobicContact CG-CE 4.48Å; Y1100-H1112 HydrophobicContact CD2-CB 3.81Å; Y1100-H1112 AromaticContact CD2-CG 3.89Å; Y1100-H1112 HydrophobicContact CE2-CB 3.74Å; Y1100-H1112 AromaticContact CE2-CG 3.5Å; Y1100-H1112 AromaticContact CE2-ND1 3.37Å; Y1100-H1112 WeakPolarHBondContact CE2-ND1 3.43Å; Y1100-H1112 HydrophobicContact CG-CB 4.45Å; Y1100-H1112 AromaticContact CZ-ND1 3.91Å
1101	C	96.6	Very high	95.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	144.7	172.5	55.2	0	0	0	0	111	C1081 H1086 N1090 A1105 H1108 M1109	C1081-C1101 HydrophobicContact CB-CB 3.99Å; C1081-C1101 PolarHBondContact SG-N 3.01Å; C1081-C1101 VanDerWaalsContact SG-N 3.37Å; C1081-C1101 PolarHBondContact SG-SG 3.41Å; H1086-C1101 HydrophobicContact CB-CB 3.98Å; N1090-C1101 VanDerWaalsContact OD1-CA 3.3Å; N1090-C1101 WeakPolarHBondContact OD1-CA 3.44Å; N1090-C1101 WeakPolarHBondContact OD1-CB 3.25Å; N1090-C1101 PolarHBondContact OD1-N 3.02Å; C1101-A1105 CarbonylContact C-O 3.59Å; C1101-A1105 HydrophobicContact CB-CB 4.03Å; C1101-A1105 WeakPolarHBondContact CB-O 3.28Å; C1101-A1105 PolarHBondContact SG-O 3Å; C1101-H1108 PolarHBondContact SG-ND1 3.29Å; C1101-M1109 WeakPolarHBondContact O-CB 3.36Å; C1101-M1109 PolarHBondContact O-N 2.9Å
1102	G	91.6	Very high	95.2	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.021	18%	0.179	C	C	.	.			trans	-69.2	178	-170	0	0	0	0	0	114.9	E1089 W1091 Y1104 A1105 S1107	E1089-G1102 PolarHBondContact O-N 3.35Å; W1091-G1102 VanDerWaalsContact CD1-CA 3.41Å; G1102-Y1104 PolarHBondContact O-N 3.36Å; G1102-Y1104 VanDerWaalsContact O-N 3.12Å; G1102-A1105 CarbonylContact O-C 3.56Å; G1102-A1105 VanDerWaalsContact O-C 3.27Å; G1102-A1105 PolarHBondContact O-N 3.32Å; G1102-S1107 WeakPolarHBondContact O-CA 3.32Å; G1102-S1107 PolarHBondContact O-N 3.37Å
1103	R	89.1	Confident	95.1	Very high	39 Å²	39	37.1 Å²	37.1	15%	0.147	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.5	-177.8	63.4	-178.9	-176.6	-84.4	-2.8	115.6	S1107 I1110 Y1132	R1103-S1107 PolarHBondContact O-OG 3.02Å; R1103-S1107 VanDerWaalsContact O-OG 3.04Å; R1103-I1110 HydrophobicContact CB-CD1 3.23Å; R1103-I1110 HydrophobicContact CB-CG1 3.85Å; R1103-Y1132 HydrophobicContact CB-CE1 4.47Å
1104	Y	88.6	Confident	95	Very high	197 Å²	197	41.1 Å²	41.1	77%	0.773	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-1.7	176	-55.6	-62.3	0	0	0	112.6	G1102	G1102-Y1104 PolarHBondContact O-N 3.36Å; G1102-Y1104 VanDerWaalsContact O-N 3.12Å
1105	A	86.9	Confident	94.9	Very high	11 Å²	11	47.9 Å²	47.9	9%	0.091	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	89.5	178.1	0	0	0	0	0	108.7	E1089 C1101 G1102 S1107	E1089-A1105 HydrophobicContact CB-CB 3.91Å; C1101-A1105 CarbonylContact C-O 3.59Å; C1101-A1105 HydrophobicContact CB-CB 4.03Å; C1101-A1105 WeakPolarHBondContact CB-O 3.28Å; C1101-A1105 PolarHBondContact SG-O 3Å; G1102-A1105 CarbonylContact O-C 3.56Å; G1102-A1105 VanDerWaalsContact O-C 3.27Å; G1102-A1105 PolarHBondContact O-N 3.32Å; A1105-S1107 PolarHBondContact O-N 2.85Å
1106	N	92.4	Very high	94.9	Very high	97 Å²	97	49.4 Å²	49.4	52%	0.519	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-1.3	-178.3	-49.7	-59	0	0	0	117.3	H1108	N1106-H1108 VanDerWaalsContact C-N 3.28Å; N1106-H1108 PolarHBondContact O-N 3.47Å; N1106-H1108 VanDerWaalsContact O-N 3.12Å
1107	S	94.9	Very high	94.8	Very high	43 Å²	43	53.3 Å²	53.3	30%	0.301	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	12.2	169	-55.8	0	0	0	0	117.7	G1102 R1103 A1105 M1109 I1110 E1111	G1102-S1107 WeakPolarHBondContact O-CA 3.32Å; G1102-S1107 PolarHBondContact O-N 3.37Å; R1103-S1107 PolarHBondContact O-OG 3.02Å; R1103-S1107 VanDerWaalsContact O-OG 3.04Å; A1105-S1107 PolarHBondContact O-N 2.85Å; S1107-M1109 PolarHBondContact O-N 3.45Å; S1107-I1110 WeakPolarHBondContact O-CA 3.3Å; S1107-I1110 WeakPolarHBondContact O-CB 3.17Å; S1107-I1110 PolarHBondContact O-N 3.31Å; S1107-E1111 PolarHBondContact O-N 2.85Å; S1107-E1111 VanDerWaalsContact O-N 3.08Å
1108	H	97.5	Very high	94.9	Very high	32 Å²	32	53.8 Å²	53.8	15%	0.148	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-28.5	-179.4	-67.9	128.5	0	0	0	114.1	C1084 Y1100 C1101 N1106 I1110 E1111 H1112	C1084-H1108 PolarHBondContact SG-CE1 3.45Å; C1084-H1108 PolarHBondContact SG-ND1 2.95Å; C1084-H1108 VanDerWaalsContact SG-ND1 3.4Å; Y1100-H1108 HydrophobicContact CD1-CB 3.94Å; Y1100-H1108 HydrophobicContact CG-CB 4.33Å; C1101-H1108 PolarHBondContact SG-ND1 3.29Å; N1106-H1108 VanDerWaalsContact C-N 3.28Å; N1106-H1108 PolarHBondContact O-N 3.47Å; N1106-H1108 VanDerWaalsContact O-N 3.12Å; H1108-I1110 VanDerWaalsContact C-N 3.34Å; H1108-E1111 IonicContact CD2-OE2 3.88Å; H1108-E1111 PolarHBondContact CD2-OE2 3.45Å; H1108-E1111 PolarHBondContact O-N 3.49Å; H1108-H1112 WeakPolarHBondContact O-CB 3.43Å; H1108-H1112 PolarHBondContact O-N 2.93Å
1109	M	98	Very high	94.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68.8	-32.5	173.3	-172.5	57.6	82.6	0	0	112.5	W1091 C1093 Y1100 C1101 S1107 H1112 F1113 V1121 Y1132	W1091-M1109 HydrophobicContact CB-CE 3.75Å; W1091-M1109 HydrophobicContact CB-CG 4.21Å; W1091-M1109 WeakPolarHBondContact O-CE 3.36Å; C1093-M1109 HydrophobicContact CB-CE 4.41Å; C1093-M1109 HydrophobicContact CB-SD 4.35Å; Y1100-M1109 HydrophobicContact CD2-CE 3.95Å; Y1100-M1109 HydrophobicContact CD2-SD 4.02Å; Y1100-M1109 HydrophobicContact CG-CE 4.48Å; C1101-M1109 WeakPolarHBondContact O-CB 3.36Å; C1101-M1109 PolarHBondContact O-N 2.9Å; S1107-M1109 PolarHBondContact O-N 3.45Å; M1109-H1112 HydrophobicContact SD-CB 4.31Å; M1109-F1113 PolarHBondContact O-N 2.86Å; M1109-V1121 HydrophobicContact CE-CG1 4.27Å; M1109-V1121 HydrophobicContact CG-CB 4.41Å; M1109-V1121 HydrophobicContact CG-CG1 3.78Å; M1109-V1121 HydrophobicContact SD-CG1 3.65Å; M1109-Y1132 HydrophobicContact CG-CE2 3.79Å; M1109-Y1132 WeakPolarHBondContact CG-OH 3.42Å
1110	I	95.6	Very high	94.8	Very high	49 Å²	49	52.3 Å²	52.3	25%	0.251	25%	0.253	S	S	.	.	H	α-helix	trans	-67.6	-43.1	171.4	-71.8	173.9	0	0	0	110	R1103 S1107 H1108 H1112 F1113 N1114 Y1132	R1103-I1110 HydrophobicContact CB-CD1 3.23Å; R1103-I1110 HydrophobicContact CB-CG1 3.85Å; S1107-I1110 WeakPolarHBondContact O-CA 3.3Å; S1107-I1110 WeakPolarHBondContact O-CB 3.17Å; S1107-I1110 PolarHBondContact O-N 3.31Å; H1108-I1110 VanDerWaalsContact C-N 3.34Å; I1110-H1112 VanDerWaalsContact C-N 3.31Å; I1110-H1112 PolarHBondContact O-N 2.95Å; I1110-F1113 CarbonylContact O-C 3.55Å; I1110-F1113 WeakPolarHBondContact O-CB 3.49Å; I1110-F1113 PolarHBondContact O-N 2.89Å; I1110-N1114 WeakPolarHBondContact O-CB 3.19Å; I1110-N1114 VanDerWaalsContact O-CG 3.3Å; I1110-N1114 PolarHBondContact O-N 3.12Å; I1110-N1114 PolarHBondContact O-ND2 3.11Å; I1110-Y1132 HydrophobicContact CD1-CE1 4.08Å; I1110-Y1132 HydrophobicContact CG1-CD1 4.02Å; I1110-Y1132 HydrophobicContact CG1-CE1 3.32Å
1111	E	95.3	Very high	94.8	Very high	95 Å²	95	50.5 Å²	50.5	44%	0.444	25%	0.246	S	C	.	.	H	α-helix	trans	-60.3	-43.9	176.4	-66.2	177.7	-169.8	0	0	111.3	S1107 H1108 F1113 N1114 I1115	S1107-E1111 PolarHBondContact O-N 2.85Å; S1107-E1111 VanDerWaalsContact O-N 3.08Å; H1108-E1111 IonicContact CD2-OE2 3.88Å; H1108-E1111 PolarHBondContact CD2-OE2 3.45Å; H1108-E1111 PolarHBondContact O-N 3.49Å; E1111-F1113 PolarHBondContact O-N 3.15Å; E1111-N1114 PolarHBondContact O-N 3.24Å; E1111-N1114 VanDerWaalsContact O-N 3.17Å; E1111-I1115 VanDerWaalsContact O-CG1 3.31Å; E1111-I1115 WeakPolarHBondContact O-CG1 3.26Å; E1111-I1115 PolarHBondContact O-N 3.33Å
1112	H	97.7	Very high	94.9	Very high	16 Å²	16	50.5 Å²	50.5	7%	0.074	25%	0.246	C	C	.	.	H	α-helix	trans	-56.9	-47.3	172.9	176.5	75.1	0	0	0	111.9	C1093 C1096 Y1100 H1108 M1109 I1110 I1115 T1116 H1118	C1093-H1112 PolarHBondContact SG-NE2 2.87Å; C1096-H1112 PolarHBondContact SG-CE1 3.49Å; C1096-H1112 PolarHBondContact SG-NE2 2.93Å; C1096-H1112 VanDerWaalsContact SG-NE2 3.38Å; Y1100-H1112 HydrophobicContact CD2-CB 3.81Å; Y1100-H1112 AromaticContact CD2-CG 3.89Å; Y1100-H1112 HydrophobicContact CE2-CB 3.74Å; Y1100-H1112 AromaticContact CE2-CG 3.5Å; Y1100-H1112 AromaticContact CE2-ND1 3.37Å; Y1100-H1112 WeakPolarHBondContact CE2-ND1 3.43Å; Y1100-H1112 HydrophobicContact CG-CB 4.45Å; Y1100-H1112 AromaticContact CZ-ND1 3.91Å; H1108-H1112 WeakPolarHBondContact O-CB 3.43Å; H1108-H1112 PolarHBondContact O-N 2.93Å; M1109-H1112 HydrophobicContact SD-CB 4.31Å; I1110-H1112 VanDerWaalsContact C-N 3.31Å; I1110-H1112 PolarHBondContact O-N 2.95Å; H1112-I1115 PolarHBondContact O-N 2.98Å; H1112-T1116 VanDerWaalsContact CE1-CG2 3.47Å; H1112-T1116 WeakPolarHBondContact CE1-CG2 3.25Å; H1112-T1116 PolarHBondContact NE2-OG1 2.99Å; H1112-T1116 WeakPolarHBondContact O-CB 3.45Å; H1112-T1116 WeakPolarHBondContact O-CG2 3.34Å; H1112-T1116 PolarHBondContact O-N 2.93Å; H1112-T1116 PolarHBondContact O-OG1 3.45Å; H1112-H1118 AromaticContact CE1-ND1 3.88Å; H1112-H1118 AromaticContact NE2-ND1 3.31Å; H1112-H1118 PolarHBondContact NE2-ND1 2.77Å
1113	F	97.3	Very high	95.1	Very high	19 Å²	19	50.4 Å²	50.4	8%	0.083	25%	0.245	C	C	.	.	H	α-helix	trans	-60	-44.4	174.3	159.5	-107.9	0	0	0	111.9	M1109 I1110 E1111 I1115 T1116 K1117 H1118 Y1132 Q1133	M1109-F1113 PolarHBondContact O-N 2.86Å; I1110-F1113 CarbonylContact O-C 3.55Å; I1110-F1113 WeakPolarHBondContact O-CB 3.49Å; I1110-F1113 PolarHBondContact O-N 2.89Å; E1111-F1113 PolarHBondContact O-N 3.15Å; F1113-I1115 PolarHBondContact O-N 2.79Å; F1113-T1116 PolarHBondContact O-N 3.14Å; F1113-K1117 WeakPolarHBondContact O-CA 3.46Å; F1113-K1117 PolarHBondContact O-N 2.81Å; F1113-H1118 WeakPolarHBondContact CD2-O 3.45Å; F1113-Y1132 HydrophobicContact CB-CD2 3.85Å; F1113-Y1132 HydrophobicContact CB-CE2 4.37Å; F1113-Y1132 HydrophobicContact CB-CG 4.25Å; F1113-Y1132 HydrophobicContact CD1-CD2 4.45Å; F1113-Y1132 AromaticContact CD1-CG 4Å; F1113-Y1132 HydrophobicContact CD1-CG 4Å; F1113-Y1132 HydrophobicContact CD2-CD2 4.45Å; F1113-Y1132 HydrophobicContact CD2-CG 4.48Å; F1113-Y1132 AromaticContact CG-CD2 3.99Å; F1113-Y1132 HydrophobicContact CG-CD2 3.99Å; F1113-Y1132 AromaticContact CG-CG 3.97Å; F1113-Y1132 HydrophobicContact CG-CG 3.97Å; F1113-Q1133 HydrophobicContact CE2-CB 4.44Å; F1113-Q1133 HydrophobicContact CZ-CB 4.39Å
1114	N	94.4	Very high	95.4	Very high	84 Å²	84	49.2 Å²	49.2	45%	0.449	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-36.1	-179	-76	-23.9	0	0	0	112.2	I1110 E1111 K1117	I1110-N1114 WeakPolarHBondContact O-CB 3.19Å; I1110-N1114 VanDerWaalsContact O-CG 3.3Å; I1110-N1114 PolarHBondContact O-N 3.12Å; I1110-N1114 PolarHBondContact O-ND2 3.11Å; E1111-N1114 PolarHBondContact O-N 3.24Å; E1111-N1114 VanDerWaalsContact O-N 3.17Å; N1114-K1117 WeakPolarHBondContact O-CE 3.21Å; N1114-K1117 PolarHBondContact O-NZ 2.94Å
1115	I	95.7	Very high	95.5	Very high	142 Å²	142	41.9 Å²	41.9	73%	0.728	22%	0.221	S	C	*	.	H	α-helix	trans	-78.7	-49.1	178.9	-65.5	165.1	0	0	0	111.7	E1111 H1112 F1113	E1111-I1115 VanDerWaalsContact O-CG1 3.31Å; E1111-I1115 WeakPolarHBondContact O-CG1 3.26Å; E1111-I1115 PolarHBondContact O-N 3.33Å; H1112-I1115 PolarHBondContact O-N 2.98Å; F1113-I1115 PolarHBondContact O-N 2.79Å
1116	T	96.1	Very high	95.7	Very high	49 Å²	49	46 Å²	46	30%	0.301	24%	0.241	S	C	.	.	H	α-helix	trans	-94.9	-18.8	-169.2	62.5	0	0	0	0	114.4	H1112 F1113 H1118	H1112-T1116 VanDerWaalsContact CE1-CG2 3.47Å; H1112-T1116 WeakPolarHBondContact CE1-CG2 3.25Å; H1112-T1116 PolarHBondContact NE2-OG1 2.99Å; H1112-T1116 WeakPolarHBondContact O-CB 3.45Å; H1112-T1116 WeakPolarHBondContact O-CG2 3.34Å; H1112-T1116 PolarHBondContact O-N 2.93Å; H1112-T1116 PolarHBondContact O-OG1 3.45Å; F1113-T1116 PolarHBondContact O-N 3.14Å; T1116-H1118 PolarHBondContact O-N 3.34Å; T1116-H1118 WeakPolarHBondContact OG1-CB 3.33Å; T1116-H1118 VanDerWaalsContact OG1-CG 3.28Å; T1116-H1118 PolarHBondContact OG1-N 2.97Å; T1116-H1118 PolarHBondContact OG1-ND1 3.18Å
1117	K	94.5	Very high	95.8	Very high	128 Å²	128	42.3 Å²	42.3	56%	0.557	22%	0.222	S	C	*	.			trans	61	14.6	-168.3	-50.8	-52.6	-173.1	-164.5	0	114.7	F1113 N1114 S1119	F1113-K1117 WeakPolarHBondContact O-CA 3.46Å; F1113-K1117 PolarHBondContact O-N 2.81Å; N1114-K1117 WeakPolarHBondContact O-CE 3.21Å; N1114-K1117 PolarHBondContact O-NZ 2.94Å; K1117-S1119 PolarHBondContact O-N 3.46Å; K1117-S1119 PolarHBondContact O-OG 3.26Å
1118	H	97.5	Very high	95.8	Very high	51 Å²	51	41.2 Å²	41.2	24%	0.236	21%	0.214	C	C	.	.			trans	-68.7	103.8	171.7	-61.8	157.2	0	0	0	110.7	C1093 S1095 H1112 F1113 T1116	C1093-H1118 WeakPolarHBondContact SG-CB 3.11Å; C1093-H1118 PolarHBondContact SG-ND1 3.41Å; S1095-H1118 WeakPolarHBondContact CB-CD2 3.42Å; H1112-H1118 AromaticContact CE1-ND1 3.88Å; H1112-H1118 AromaticContact NE2-ND1 3.31Å; H1112-H1118 PolarHBondContact NE2-ND1 2.77Å; F1113-H1118 WeakPolarHBondContact CD2-O 3.45Å; T1116-H1118 PolarHBondContact O-N 3.34Å; T1116-H1118 WeakPolarHBondContact OG1-CB 3.33Å; T1116-H1118 VanDerWaalsContact OG1-CG 3.28Å; T1116-H1118 PolarHBondContact OG1-N 2.97Å; T1116-H1118 PolarHBondContact OG1-ND1 3.18Å
1119	S	96	Very high	95.7	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.042	21%	0.207	C	C	.	.			trans	-86.4	-24.9	-164.6	-61.5	0	0	0	0	113.8	K1117 C1131 Y1132	K1117-S1119 PolarHBondContact O-N 3.46Å; K1117-S1119 PolarHBondContact O-OG 3.26Å; S1119-C1131 CarbonylContact O-C 3.52Å; S1119-C1131 VanDerWaalsContact O-CA 3.27Å; S1119-C1131 WeakPolarHBondContact O-CA 3.32Å; S1119-Y1132 PolarHBondContact O-N 2.92Å
1120	I	97.8	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.6	-173.2	-53.2	-63.1	0	0	0	111.2	H1063 V1067 L1094 W1130 C1131 L1143	H1063-I1120 HydrophobicContact CB-CD1 4.06Å; H1063-I1120 HydrophobicContact CB-CG1 4.19Å; H1063-I1120 WeakPolarHBondContact O-CG1 3.26Å; V1067-I1120 HydrophobicContact CG2-CB 3.91Å; V1067-I1120 HydrophobicContact CG2-CG1 4Å; V1067-I1120 HydrophobicContact CG2-CG2 3.89Å; L1094-I1120 HydrophobicContact CB-CG2 4.31Å; L1094-I1120 HydrophobicContact CD1-CG2 3.83Å; L1094-I1120 HydrophobicContact CG-CG2 4.33Å; L1094-I1120 PolarHBondContact N-O 3.11Å; I1120-W1130 WeakPolarHBondContact CA-O 3.37Å; I1120-C1131 HydrophobicContact CD1-CB 3.51Å; I1120-L1143 HydrophobicContact CG2-CD2 4.03Å
1121	V	98	Very high	95.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.7	178.8	-61	0	0	0	0	111.1	W1091 V1092 M1109 T1129 W1130 Y1132	W1091-V1121 HydrophobicContact CD2-CG2 4.34Å; W1091-V1121 HydrophobicContact CE3-CB 4.03Å; W1091-V1121 HydrophobicContact CE3-CG2 3.46Å; W1091-V1121 VanDerWaalsContact CE3-CG2 3.46Å; W1091-V1121 HydrophobicContact CZ3-CG2 3.94Å; V1092-V1121 CarbonylContact O-C 3.57Å; V1092-V1121 VanDerWaalsContact O-CA 3.31Å; V1092-V1121 WeakPolarHBondContact O-CA 3.37Å; M1109-V1121 HydrophobicContact CE-CG1 4.27Å; M1109-V1121 HydrophobicContact CG-CB 4.41Å; M1109-V1121 HydrophobicContact CG-CG1 3.78Å; M1109-V1121 HydrophobicContact SD-CG1 3.65Å; V1121-T1129 CarbonylContact O-C 3.52Å; V1121-T1129 VanDerWaalsContact O-CA 3.29Å; V1121-T1129 WeakPolarHBondContact O-CA 3.31Å; V1121-W1130 HydrophobicContact CG2-CB 3.97Å; V1121-W1130 PolarHBondContact N-O 2.99Å; V1121-W1130 PolarHBondContact O-N 2.94Å; V1121-Y1132 HydrophobicContact CB-CE2 4.34Å; V1121-Y1132 HydrophobicContact CG1-CD2 4.21Å; V1121-Y1132 HydrophobicContact CG1-CE2 3.75Å; V1121-Y1132 HydrophobicContact CG2-CD2 4.19Å; V1121-Y1132 HydrophobicContact CG2-CE2 3.58Å
1122	L	97.6	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.3	177.2	-179.4	155.2	0	0	0	109.9	W1091 V1092 L1094 Y1124 L1127 S1128 T1129 M1146 K1147 V1150	W1091-L1122 CarbonylContact C-O 3.42Å; W1091-L1122 VanDerWaalsContact CA-O 3.29Å; W1091-L1122 WeakPolarHBondContact CA-O 3.45Å; V1092-L1122 HydrophobicContact CG1-CB 3.93Å; V1092-L1122 HydrophobicContact CG1-CD2 4.09Å; V1092-L1122 WeakPolarHBondContact CG1-O 3.34Å; V1092-L1122 PolarHBondContact N-O 3.19Å; V1092-L1122 PolarHBondContact O-N 3.02Å; L1094-L1122 HydrophobicContact CD1-CB 4.16Å; L1094-L1122 HydrophobicContact CD2-CB 3.83Å; L1094-L1122 HydrophobicContact CD2-CD1 4.49Å; L1094-L1122 HydrophobicContact CG-CB 4.08Å; L1122-Y1124 HydrophobicContact CD2-CD1 4.04Å; L1122-Y1124 HydrophobicContact CD2-CE1 4.35Å; L1122-L1127 HydrophobicContact CD2-CD2 4.43Å; L1122-S1128 WeakPolarHBondContact CA-O 3.26Å; L1122-T1129 HydrophobicContact CB-CG2 3.8Å; L1122-T1129 HydrophobicContact CD1-CG2 3.94Å; L1122-T1129 HydrophobicContact CG-CG2 3.94Å; L1122-M1146 HydrophobicContact CD1-CB 4.49Å; L1122-K1147 HydrophobicContact CD1-CG 3.76Å; L1122-V1150 HydrophobicContact CD1-CG2 4.43Å; L1122-V1150 HydrophobicContact CD2-CB 4.13Å; L1122-V1150 HydrophobicContact CD2-CG1 3.88Å; L1122-V1150 HydrophobicContact CD2-CG2 3.88Å
1123	S	96.5	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.7	177.7	170.8	0	0	0	0	111.5	W1091 A1125 D1126 L1127 S1128	W1091-S1123 VanDerWaalsContact CE3-N 3.32Å; S1123-A1125 PolarHBondContact O-N 3.25Å; S1123-A1125 PolarHBondContact OG-N 3.3Å; S1123-A1125 VanDerWaalsContact OG-N 3.14Å; S1123-D1126 WeakPolarHBondContact CB-OD1 3.16Å; S1123-D1126 PolarHBondContact OG-N 3.01Å; S1123-D1126 PolarHBondContact OG-OD1 3.28Å; S1123-L1127 WeakPolarHBondContact O-CA 3.34Å; S1123-L1127 PolarHBondContact O-N 3.01Å; S1123-S1128 PolarHBondContact N-O 3.2Å
1124	Y	95.4	Very high	94.7	Very high	15 Å²	15	41.1 Å²	41.1	6%	0.059	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.5	169.9	-70.7	-17.5	0	0	0	112.6	P1075 D1076 N1090 V1092 V1099 L1122 V1150 K1154	P1075-Y1124 HydrophobicContact CB-CE1 4.33Å; D1076-Y1124 WeakPolarHBondContact O-CE2 3.15Å; N1090-Y1124 WeakPolarHBondContact O-CB 3.21Å; N1090-Y1124 PolarHBondContact O-N 3.09Å; V1092-Y1124 HydrophobicContact CB-CE1 3.83Å; V1092-Y1124 HydrophobicContact CB-CE2 4.42Å; V1092-Y1124 HydrophobicContact CG1-CD1 4.12Å; V1092-Y1124 HydrophobicContact CG1-CE1 3.42Å; V1092-Y1124 VanDerWaalsContact CG1-CE1 3.42Å; V1099-Y1124 HydrophobicContact CG1-CE2 4.27Å; V1099-Y1124 HydrophobicContact CG2-CE2 3.94Å; L1122-Y1124 HydrophobicContact CD2-CD1 4.04Å; L1122-Y1124 HydrophobicContact CD2-CE1 4.35Å; Y1124-V1150 HydrophobicContact CD1-CG1 3.52Å; Y1124-V1150 HydrophobicContact CD1-CG2 4.39Å; Y1124-V1150 HydrophobicContact CE1-CG1 3.75Å; Y1124-V1150 HydrophobicContact CE1-CG2 3.84Å; Y1124-K1154 PolarHBondContact O-NZ 2.73Å
1125	A	90.3	Very high	94.6	Very high	43 Å²	43	44.4 Å²	44.4	36%	0.355	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-43.7	-179.6	0	0	0	0	0	112.7	S1123 K1154	S1123-A1125 PolarHBondContact O-N 3.25Å; S1123-A1125 PolarHBondContact OG-N 3.3Å; S1123-A1125 VanDerWaalsContact OG-N 3.14Å; A1125-K1154 VanDerWaalsContact C-NZ 3.29Å; A1125-K1154 PolarHBondContact O-NZ 2.82Å
1126	D	91.6	Very high	94.2	Very high	96 Å²	96	39.6 Å²	39.6	51%	0.513	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	3.4	-171.8	66.6	-2.7	0	0	0	114	S1123 S1128	S1123-D1126 WeakPolarHBondContact CB-OD1 3.16Å; S1123-D1126 PolarHBondContact OG-N 3.01Å; S1123-D1126 PolarHBondContact OG-OD1 3.28Å; D1126-S1128 VanDerWaalsContact CG-OG 3.25Å; D1126-S1128 PolarHBondContact O-N 2.94Å; D1126-S1128 VanDerWaalsContact OD1-CB 3.26Å; D1126-S1128 WeakPolarHBondContact OD1-CB 3.43Å; D1126-S1128 PolarHBondContact OD1-N 3.37Å; D1126-S1128 PolarHBondContact OD1-OG 3.08Å; D1126-S1128 PolarHBondContact OD2-OG 3.27Å
1127	L	93.7	Very high	94.1	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.11	20%	0.204	C	C	.	.			trans	59.7	14	-178.3	-49	179.7	0	0	0	114.1	L1122 S1123 K1147 V1150 Y1151 K1154 F1155	L1122-L1127 HydrophobicContact CD2-CD2 4.43Å; S1123-L1127 WeakPolarHBondContact O-CA 3.34Å; S1123-L1127 PolarHBondContact O-N 3.01Å; L1127-K1147 PolarHBondContact O-NZ 3.47Å; L1127-V1150 HydrophobicContact CD2-CB 4.07Å; L1127-V1150 HydrophobicContact CD2-CG1 3.4Å; L1127-V1150 VanDerWaalsContact CD2-CG1 3.4Å; L1127-Y1151 HydrophobicContact CD1-CD2 3.56Å; L1127-Y1151 HydrophobicContact CD1-CE2 4.48Å; L1127-Y1151 HydrophobicContact CD1-CG 4.26Å; L1127-K1154 HydrophobicContact CD2-CD 4.47Å; L1127-F1155 HydrophobicContact CD1-CE2 4.07Å
1128	S	94.4	Very high	94.1	Very high	20 Å²	20	34.3 Å²	34.3	14%	0.14	18%	0.178	C	C	.	.			trans	-69.1	151.3	170.8	72	0	0	0	0	109.9	W1091 L1122 S1123 D1126	W1091-S1128 WeakPolarHBondContact CH2-OG 3.38Å; L1122-S1128 WeakPolarHBondContact CA-O 3.26Å; S1123-S1128 PolarHBondContact N-O 3.2Å; D1126-S1128 VanDerWaalsContact CG-OG 3.25Å; D1126-S1128 PolarHBondContact O-N 2.94Å; D1126-S1128 VanDerWaalsContact OD1-CB 3.26Å; D1126-S1128 WeakPolarHBondContact OD1-CB 3.43Å; D1126-S1128 PolarHBondContact OD1-N 3.37Å; D1126-S1128 PolarHBondContact OD1-OG 3.08Å; D1126-S1128 PolarHBondContact OD2-OG 3.27Å
1129	T	96.9	Very high	93.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.6	-178.1	25.8	0	0	0	0	108.3	L1094 V1121 L1122 Y1137 V1138 L1143 K1147	L1094-T1129 HydrophobicContact CD1-CG2 4.28Å; V1121-T1129 CarbonylContact O-C 3.52Å; V1121-T1129 VanDerWaalsContact O-CA 3.29Å; V1121-T1129 WeakPolarHBondContact O-CA 3.31Å; L1122-T1129 HydrophobicContact CB-CG2 3.8Å; L1122-T1129 HydrophobicContact CD1-CG2 3.94Å; L1122-T1129 HydrophobicContact CG-CG2 3.94Å; T1129-Y1137 CarbonylContact O-C 3.49Å; T1129-Y1137 VanDerWaalsContact O-CA 3.24Å; T1129-Y1137 WeakPolarHBondContact O-CA 3.46Å; T1129-V1138 WeakPolarHBondContact CB-O 3.33Å; T1129-V1138 PolarHBondContact O-N 3.32Å; T1129-V1138 PolarHBondContact OG1-O 2.91Å; T1129-L1143 HydrophobicContact CG2-CD1 4.09Å; T1129-K1147 WeakPolarHBondContact OG1-CE 3.48Å; T1129-K1147 PolarHBondContact OG1-NZ 3.31Å
1130	W	97	Very high	93.6	Very high	34 Å²	34	37.6 Å²	37.6	13%	0.129	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.3	-174.3	178.9	-95.6	0	0	0	110.1	W1091 I1120 V1121 Y1132 E1135 Y1137	W1091-W1130 HydrophobicContact CH2-CB 4.08Å; W1091-W1130 HydrophobicContact CZ3-CB 3.66Å; I1120-W1130 WeakPolarHBondContact CA-O 3.37Å; V1121-W1130 HydrophobicContact CG2-CB 3.97Å; V1121-W1130 PolarHBondContact N-O 2.99Å; V1121-W1130 PolarHBondContact O-N 2.94Å; W1130-Y1132 AromaticContact CD1-CD1 3.66Å; W1130-Y1132 AromaticContact CD1-CE1 3.77Å; W1130-Y1132 AromaticContact CD1-CG 3.86Å; W1130-Y1132 AromaticContact NE1-CD1 3.39Å; W1130-Y1132 AromaticContact NE1-CE1 3.71Å; W1130-Y1132 AromaticContact NE1-CG 3.89Å; W1130-E1135 WeakPolarHBondContact CH2-O 3.46Å; W1130-E1135 HydrophobicContact CZ2-CB 4.21Å; W1130-Y1137 HydrophobicContact CE3-CD1 4.05Å; W1130-Y1137 AromaticContact CE3-CD2 3.97Å; W1130-Y1137 HydrophobicContact CE3-CD2 3.97Å; W1130-Y1137 HydrophobicContact CE3-CE1 4.14Å; W1130-Y1137 HydrophobicContact CE3-CE2 4.1Å; W1130-Y1137 AromaticContact CE3-CG 3.96Å; W1130-Y1137 HydrophobicContact CE3-CG 3.96Å; W1130-Y1137 AromaticContact CZ3-CD2 3.87Å; W1130-Y1137 HydrophobicContact CZ3-CD2 3.87Å; W1130-Y1137 AromaticContact CZ3-CE2 3.96Å; W1130-Y1137 HydrophobicContact CZ3-CE2 3.96Å; W1130-Y1137 HydrophobicContact CZ3-CG 4.31Å
1131	C	96.3	Very high	93.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.8	168.6	-176.6	0	0	0	0	109.9	H1063 S1119 I1120 Q1133 C1134 E1135 S1136 V1138	H1063-C1131 PolarHBondContact ND1-SG 2.92Å; S1119-C1131 CarbonylContact O-C 3.52Å; S1119-C1131 VanDerWaalsContact O-CA 3.27Å; S1119-C1131 WeakPolarHBondContact O-CA 3.32Å; I1120-C1131 HydrophobicContact CD1-CB 3.51Å; C1131-Q1133 VanDerWaalsContact C-N 3.31Å; C1131-Q1133 PolarHBondContact O-N 2.66Å; C1131-C1134 HydrophobicContact CB-CB 3.92Å; C1131-C1134 PolarHBondContact O-N 3.15Å; C1131-C1134 PolarHBondContact SG-N 3.31Å; C1131-C1134 VanDerWaalsContact SG-N 3.36Å; C1131-E1135 WeakPolarHBondContact O-CA 3.45Å; C1131-E1135 PolarHBondContact O-N 3.41Å; C1131-S1136 PolarHBondContact N-O 3.42Å; C1131-S1136 PolarHBondContact O-N 3.12Å; C1131-V1138 HydrophobicContact CB-CG2 3.7Å
1132	Y	93.9	Very high	92.8	Very high	20 Å²	20	48.4 Å²	48.4	8%	0.078	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-34.1	177.6	-76.4	-68.5	0	0	0	113.3	R1103 M1109 I1110 F1113 S1119 V1121 W1130 E1135	R1103-Y1132 HydrophobicContact CB-CE1 4.47Å; M1109-Y1132 HydrophobicContact CG-CE2 3.79Å; M1109-Y1132 WeakPolarHBondContact CG-OH 3.42Å; I1110-Y1132 HydrophobicContact CD1-CE1 4.08Å; I1110-Y1132 HydrophobicContact CG1-CD1 4.02Å; I1110-Y1132 HydrophobicContact CG1-CE1 3.32Å; F1113-Y1132 HydrophobicContact CB-CD2 3.85Å; F1113-Y1132 HydrophobicContact CB-CE2 4.37Å; F1113-Y1132 HydrophobicContact CB-CG 4.25Å; F1113-Y1132 HydrophobicContact CD1-CD2 4.45Å; F1113-Y1132 AromaticContact CD1-CG 4Å; F1113-Y1132 HydrophobicContact CD1-CG 4Å; F1113-Y1132 HydrophobicContact CD2-CD2 4.45Å; F1113-Y1132 HydrophobicContact CD2-CG 4.48Å; F1113-Y1132 AromaticContact CG-CD2 3.99Å; F1113-Y1132 HydrophobicContact CG-CD2 3.99Å; F1113-Y1132 AromaticContact CG-CG 3.97Å; F1113-Y1132 HydrophobicContact CG-CG 3.97Å; S1119-Y1132 PolarHBondContact O-N 2.92Å; V1121-Y1132 HydrophobicContact CB-CE2 4.34Å; V1121-Y1132 HydrophobicContact CG1-CD2 4.21Å; V1121-Y1132 HydrophobicContact CG1-CE2 3.75Å; V1121-Y1132 HydrophobicContact CG2-CD2 4.19Å; V1121-Y1132 HydrophobicContact CG2-CE2 3.58Å; W1130-Y1132 AromaticContact CD1-CD1 3.66Å; W1130-Y1132 AromaticContact CD1-CE1 3.77Å; W1130-Y1132 AromaticContact CD1-CG 3.86Å; W1130-Y1132 AromaticContact NE1-CD1 3.39Å; W1130-Y1132 AromaticContact NE1-CE1 3.71Å; W1130-Y1132 AromaticContact NE1-CG 3.89Å; Y1132-E1135 WeakPolarHBondContact O-CG 3.26Å
1133	Q	90.1	Very high	92.7	Very high	114 Å²	114	48.4 Å²	48.4	53%	0.533	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-27.1	-178.1	-168.7	68.3	44.7	0	0	113.2	H1063 F1113 C1131	H1063-Q1133 VanDerWaalsContact CE1-CB 3.42Å; H1063-Q1133 WeakPolarHBondContact CE1-CB 3.38Å; H1063-Q1133 WeakPolarHBondContact CE1-CG 3.44Å; H1063-Q1133 VanDerWaalsContact NE2-CG 3.3Å; H1063-Q1133 WeakPolarHBondContact NE2-CG 3.24Å; F1113-Q1133 HydrophobicContact CE2-CB 4.44Å; F1113-Q1133 HydrophobicContact CZ-CB 4.39Å; C1131-Q1133 VanDerWaalsContact C-N 3.31Å; C1131-Q1133 PolarHBondContact O-N 2.66Å
1134	C	84.6	Confident	92.4	Very high	39 Å²	39	50.3 Å²	50.3	26%	0.264	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-5.4	172.8	-65.7	0	0	0	0	113	L1058 C1061 H1063 C1131 S1136	L1058-C1134 HydrophobicContact CD1-CB 4.27Å; C1061-C1134 PolarHBondContact SG-SG 3.06Å; H1063-C1134 VanDerWaalsContact CE1-SG 3.52Å; H1063-C1134 PolarHBondContact ND1-SG 3.25Å; C1131-C1134 HydrophobicContact CB-CB 3.92Å; C1131-C1134 PolarHBondContact O-N 3.15Å; C1131-C1134 PolarHBondContact SG-N 3.31Å; C1131-C1134 VanDerWaalsContact SG-N 3.36Å; C1134-S1136 PolarHBondContact O-N 3.27Å; C1134-S1136 VanDerWaalsContact O-N 3.13Å; C1134-S1136 PolarHBondContact O-OG 3.2Å
1135	E	91.7	Very high	92.1	Very high	152 Å²	152	53 Å²	53	71%	0.71	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	42.7	-175.1	-59.5	-175.1	159	0	0	113.2	W1130 C1131 Y1132	W1130-E1135 WeakPolarHBondContact CH2-O 3.46Å; W1130-E1135 HydrophobicContact CZ2-CB 4.21Å; C1131-E1135 WeakPolarHBondContact O-CA 3.45Å; C1131-E1135 PolarHBondContact O-N 3.41Å; Y1132-E1135 WeakPolarHBondContact O-CG 3.26Å
1136	S	88.3	Confident	92.2	Very high	41 Å²	41	51.1 Å²	51.1	29%	0.287	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.2	-174.6	-76.8	0	0	0	0	112.2	C1131 C1134	C1131-S1136 PolarHBondContact N-O 3.42Å; C1131-S1136 PolarHBondContact O-N 3.12Å; C1134-S1136 PolarHBondContact O-N 3.27Å; C1134-S1136 VanDerWaalsContact O-N 3.13Å; C1134-S1136 PolarHBondContact O-OG 3.2Å
1137	Y	95	Very high	92.2	Very high	65 Å²	65	47.3 Å²	47.3	26%	0.255	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	142.5	163.3	-68.5	-80.6	0	0	0	109.4	V1055 P1057 L1058 T1129 W1130	V1055-Y1137 HydrophobicContact CB-CD2 4.32Å; V1055-Y1137 HydrophobicContact CG1-CD2 3.71Å; V1055-Y1137 HydrophobicContact CG1-CE2 4.44Å; P1057-Y1137 CarbonylContact C-O 3.6Å; P1057-Y1137 WeakPolarHBondContact CA-O 3.22Å; L1058-Y1137 PolarHBondContact N-O 3.34Å; T1129-Y1137 CarbonylContact O-C 3.49Å; T1129-Y1137 VanDerWaalsContact O-CA 3.24Å; T1129-Y1137 WeakPolarHBondContact O-CA 3.46Å; W1130-Y1137 HydrophobicContact CE3-CD1 4.05Å; W1130-Y1137 AromaticContact CE3-CD2 3.97Å; W1130-Y1137 HydrophobicContact CE3-CD2 3.97Å; W1130-Y1137 HydrophobicContact CE3-CE1 4.14Å; W1130-Y1137 HydrophobicContact CE3-CE2 4.1Å; W1130-Y1137 AromaticContact CE3-CG 3.96Å; W1130-Y1137 HydrophobicContact CE3-CG 3.96Å; W1130-Y1137 AromaticContact CZ3-CD2 3.87Å; W1130-Y1137 HydrophobicContact CZ3-CD2 3.87Å; W1130-Y1137 AromaticContact CZ3-CE2 3.96Å; W1130-Y1137 HydrophobicContact CZ3-CE2 3.96Å; W1130-Y1137 HydrophobicContact CZ3-CG 4.31Å
1138	V	93.1	Very high	92.1	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-126.1	131.4	-179	-177	0	0	0	0	108.6	L1058 C1061 L1064 T1129 C1131 N1140 L1143	L1058-V1138 CarbonylContact O-C 3.55Å; L1058-V1138 WeakPolarHBondContact O-CA 3.48Å; C1061-V1138 HydrophobicContact CB-CG1 3.87Å; C1061-V1138 HydrophobicContact CB-CG2 3.86Å; L1064-V1138 HydrophobicContact CD1-CG1 4.45Å; L1064-V1138 HydrophobicContact CD2-CG1 4.01Å; L1064-V1138 HydrophobicContact CG-CG1 4.41Å; T1129-V1138 WeakPolarHBondContact CB-O 3.33Å; T1129-V1138 PolarHBondContact O-N 3.32Å; T1129-V1138 PolarHBondContact OG1-O 2.91Å; C1131-V1138 HydrophobicContact CB-CG2 3.7Å; V1138-N1140 HydrophobicContact CG1-CB 4.47Å; V1138-L1143 HydrophobicContact CB-CD1 4.36Å; V1138-L1143 HydrophobicContact CG1-CD1 4.03Å
1139	H	92.3	Very high	92	Very high	95 Å²	95	51.1 Å²	51.1	44%	0.44	25%	0.252	S	S	.	.			trans	-128.4	111.7	172.5	-175.1	89.6	0	0	0	108.2	P1057 L1058 S1059	P1057-H1139 HydrophobicContact CB-CB 3.78Å; P1057-H1139 HydrophobicContact CG-CB 3.59Å; L1058-H1139 PolarHBondContact O-N 3.46Å; S1059-H1139 CarbonylContact C-O 3.56Å; S1059-H1139 VanDerWaalsContact CA-O 3.23Å; S1059-H1139 WeakPolarHBondContact CA-O 3.45Å
1140	N	92	Very high	91.9	Very high	32 Å²	32	51 Å²	51	17%	0.171	25%	0.252	C	S	.	.			trans	-147.7	151.4	-175.9	-178.3	-88.6	0	0	0	110	S1059 L1064 V1138 V1142 L1143	S1059-N1140 WeakPolarHBondContact O-CB 3.47Å; S1059-N1140 PolarHBondContact O-ND2 2.89Å; L1064-N1140 HydrophobicContact CD1-CB 3.64Å; L1064-N1140 VanDerWaalsContact CD1-CG 3.43Å; L1064-N1140 HydrophobicContact CD2-CB 4.17Å; V1138-N1140 HydrophobicContact CG1-CB 4.47Å; N1140-V1142 PolarHBondContact O-N 2.79Å; N1140-V1142 WeakPolarHBondContact OD1-CB 3.07Å; N1140-V1142 VanDerWaalsContact OD1-CG2 3.3Å; N1140-V1142 WeakPolarHBondContact OD1-CG2 3.25Å; N1140-V1142 PolarHBondContact OD1-N 2.7Å; N1140-L1143 HydrophobicContact CB-CD1 4.47Å; N1140-L1143 WeakPolarHBondContact O-CB 3.21Å; N1140-L1143 PolarHBondContact O-N 3.02Å
1141	E	88.7	Confident	91.8	Very high	156 Å²	156	51 Å²	51	73%	0.729	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-53.6	-37.2	-179.1	-162.4	-175.3	165.7	0	0	113.1	L1143 L1144	E1141-L1143 PolarHBondContact O-N 2.98Å; E1141-L1143 VanDerWaalsContact O-N 3.1Å; E1141-L1144 HydrophobicContact CB-CD1 4.38Å; E1141-L1144 HydrophobicContact CG-CD1 3.83Å; E1141-L1144 VanDerWaalsContact O-CB 3.29Å; E1141-L1144 WeakPolarHBondContact O-CB 3.31Å; E1141-L1144 WeakPolarHBondContact O-CG 3.33Å; E1141-L1144 PolarHBondContact O-N 3.09Å
1142	V	90.2	Very high	91.7	Very high	70 Å²	70	54.9 Å²	54.9	42%	0.424	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-57.2	-29.3	177.6	175	0	0	0	0	112.2	N1140	N1140-V1142 PolarHBondContact O-N 2.79Å; N1140-V1142 WeakPolarHBondContact OD1-CB 3.07Å; N1140-V1142 VanDerWaalsContact OD1-CG2 3.3Å; N1140-V1142 WeakPolarHBondContact OD1-CG2 3.25Å; N1140-V1142 PolarHBondContact OD1-N 2.7Å
1143	L	93.9	Very high	91.7	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-83.5	-14.7	-179.5	-57	173.4	0	0	0	112.8	L1064 V1067 L1094 I1120 T1129 V1138 N1140 E1141 N1145 M1146 K1147	L1064-L1143 HydrophobicContact CD2-CD1 3.89Å; L1064-L1143 HydrophobicContact CD2-CD2 3.82Å; L1064-L1143 HydrophobicContact CD2-CG 3.77Å; V1067-L1143 HydrophobicContact CG1-CD2 4.36Å; V1067-L1143 HydrophobicContact CG2-CD2 3.82Å; L1094-L1143 HydrophobicContact CD1-CD2 3.64Å; I1120-L1143 HydrophobicContact CG2-CD2 4.03Å; T1129-L1143 HydrophobicContact CG2-CD1 4.09Å; V1138-L1143 HydrophobicContact CB-CD1 4.36Å; V1138-L1143 HydrophobicContact CG1-CD1 4.03Å; N1140-L1143 HydrophobicContact CB-CD1 4.47Å; N1140-L1143 WeakPolarHBondContact O-CB 3.21Å; N1140-L1143 PolarHBondContact O-N 3.02Å; E1141-L1143 PolarHBondContact O-N 2.98Å; E1141-L1143 VanDerWaalsContact O-N 3.1Å; L1143-N1145 VanDerWaalsContact C-N 3.35Å; L1143-N1145 PolarHBondContact O-N 2.95Å; L1143-M1146 PolarHBondContact O-N 3.07Å; L1143-K1147 WeakPolarHBondContact O-CG 3.47Å; L1143-K1147 PolarHBondContact O-N 3.36Å
1144	L	90.2	Very high	91.9	Very high	41 Å²	41	53.6 Å²	53.6	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-62	-38.7	-172.1	-70.3	176.3	0	0	0	112.7	E1141 M1146 K1147 R1148	E1141-L1144 HydrophobicContact CB-CD1 4.38Å; E1141-L1144 HydrophobicContact CG-CD1 3.83Å; E1141-L1144 VanDerWaalsContact O-CB 3.29Å; E1141-L1144 WeakPolarHBondContact O-CB 3.31Å; E1141-L1144 WeakPolarHBondContact O-CG 3.33Å; E1141-L1144 PolarHBondContact O-N 3.09Å; L1144-M1146 VanDerWaalsContact C-N 3.34Å; L1144-M1146 PolarHBondContact O-N 3.17Å; L1144-K1147 PolarHBondContact O-N 3.22Å; L1144-R1148 WeakPolarHBondContact O-CB 3.16Å; L1144-R1148 WeakPolarHBondContact O-CG 3.4Å; L1144-R1148 PolarHBondContact O-N 3.24Å
1145	N	89.3	Confident	92.4	Very high	72 Å²	72	56.8 Å²	56.8	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-42.3	178.3	-70.3	-28.8	0	0	0	112.1	L1143 R1148 A1149	L1143-N1145 VanDerWaalsContact C-N 3.35Å; L1143-N1145 PolarHBondContact O-N 2.95Å; N1145-R1148 PolarHBondContact O-N 3.27Å; N1145-A1149 PolarHBondContact O-N 2.83Å
1146	M	92.1	Very high	92.3	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-43.8	176.3	-64.1	-62.8	133.2	0	0	111.2	N1069 W1073 L1094 Y1097 L1122 L1143 L1144 R1148 A1149 V1150	N1069-M1146 WeakPolarHBondContact OD1-CE 3.33Å; W1073-M1146 HydrophobicContact CD2-SD 4.44Å; W1073-M1146 HydrophobicContact CE3-SD 3.39Å; W1073-M1146 HydrophobicContact CZ3-SD 3.56Å; W1073-M1146 VanDerWaalsContact CZ3-SD 3.56Å; L1094-M1146 HydrophobicContact CD1-CB 4.43Å; L1094-M1146 HydrophobicContact CD2-CB 4.13Å; L1094-M1146 HydrophobicContact CD2-CG 4.19Å; Y1097-M1146 HydrophobicContact CE1-SD 3.83Å; Y1097-M1146 WeakPolarHBondContact OH-CE 3.41Å; L1122-M1146 HydrophobicContact CD1-CB 4.49Å; L1143-M1146 PolarHBondContact O-N 3.07Å; L1144-M1146 VanDerWaalsContact C-N 3.34Å; L1144-M1146 PolarHBondContact O-N 3.17Å; M1146-R1148 VanDerWaalsContact C-N 3.33Å; M1146-R1148 PolarHBondContact O-N 3.36Å; M1146-A1149 PolarHBondContact O-N 2.61Å; M1146-V1150 WeakPolarHBondContact O-CG2 3.45Å; M1146-V1150 PolarHBondContact O-N 3.03Å
1147	K	93.3	Very high	92.5	Very high	16 Å²	16	55.5 Å²	55.5	7%	0.07	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-43.1	175.8	-72.3	-173.4	-175.1	-122.3	0	111.6	L1122 L1127 T1129 L1143 L1144 V1150 Y1151 M1159	L1122-K1147 HydrophobicContact CD1-CG 3.76Å; L1127-K1147 PolarHBondContact O-NZ 3.47Å; T1129-K1147 WeakPolarHBondContact OG1-CE 3.48Å; T1129-K1147 PolarHBondContact OG1-NZ 3.31Å; L1143-K1147 WeakPolarHBondContact O-CG 3.47Å; L1143-K1147 PolarHBondContact O-N 3.36Å; L1144-K1147 PolarHBondContact O-N 3.22Å; K1147-V1150 PolarHBondContact O-N 3.5Å; K1147-Y1151 WeakPolarHBondContact O-CB 3.34Å; K1147-Y1151 PolarHBondContact O-N 3.37Å; K1147-M1159 HydrophobicContact CB-SD 4.45Å
1148	R	91.3	Very high	92.1	Very high	92 Å²	92	57.1 Å²	57.1	35%	0.347	30%	0.302	S	S	.	.	H	α-helix	trans	-61.2	-45.7	175.5	-74	169.5	-175	163.2	-2.6	112	L1144 N1145 M1146 V1150 Y1151 Q1152 M1159	L1144-R1148 WeakPolarHBondContact O-CB 3.16Å; L1144-R1148 WeakPolarHBondContact O-CG 3.4Å; L1144-R1148 PolarHBondContact O-N 3.24Å; N1145-R1148 PolarHBondContact O-N 3.27Å; M1146-R1148 VanDerWaalsContact C-N 3.33Å; M1146-R1148 PolarHBondContact O-N 3.36Å; R1148-V1150 PolarHBondContact O-N 3.25Å; R1148-Y1151 PolarHBondContact O-N 2.93Å; R1148-Q1152 VanDerWaalsContact O-CB 3.29Å; R1148-Q1152 WeakPolarHBondContact O-CB 3.22Å; R1148-Q1152 PolarHBondContact O-N 2.94Å; R1148-M1159 HydrophobicContact CG-CB 4.21Å; R1148-M1159 HydrophobicContact CG-SD 4.21Å
1149	A	92.7	Very high	91.9	Very high	28 Å²	28	59.5 Å²	59.5	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-61.5	-43.5	178.6	0	0	0	0	0	111.9	W1073 P1075 N1145 M1146 A1153	W1073-A1149 HydrophobicContact CE3-CB 4.4Å; P1075-A1149 HydrophobicContact CG-CB 4.15Å; P1075-A1149 WeakPolarHBondContact CG-O 3.43Å; N1145-A1149 PolarHBondContact O-N 2.83Å; M1146-A1149 PolarHBondContact O-N 2.61Å; A1149-A1153 WeakPolarHBondContact O-CB 3.45Å; A1149-A1153 PolarHBondContact O-N 2.81Å
1150	V	94.7	Very high	91.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-72	-38.9	178	-177.9	0	0	0	0	111.4	W1073 P1075 I1077 L1122 Y1124 L1127 M1146 K1147 R1148 A1153 K1154	W1073-V1150 HydrophobicContact CH2-CG2 3.99Å; W1073-V1150 HydrophobicContact CZ3-CG2 3.93Å; P1075-V1150 HydrophobicContact CB-CG2 3.93Å; P1075-V1150 HydrophobicContact CG-CB 4.25Å; P1075-V1150 HydrophobicContact CG-CG2 3.69Å; I1077-V1150 HydrophobicContact CG2-CG1 4.09Å; L1122-V1150 HydrophobicContact CD1-CG2 4.43Å; L1122-V1150 HydrophobicContact CD2-CB 4.13Å; L1122-V1150 HydrophobicContact CD2-CG1 3.88Å; L1122-V1150 HydrophobicContact CD2-CG2 3.88Å; Y1124-V1150 HydrophobicContact CD1-CG1 3.52Å; Y1124-V1150 HydrophobicContact CD1-CG2 4.39Å; Y1124-V1150 HydrophobicContact CE1-CG1 3.75Å; Y1124-V1150 HydrophobicContact CE1-CG2 3.84Å; L1127-V1150 HydrophobicContact CD2-CB 4.07Å; L1127-V1150 HydrophobicContact CD2-CG1 3.4Å; L1127-V1150 VanDerWaalsContact CD2-CG1 3.4Å; M1146-V1150 WeakPolarHBondContact O-CG2 3.45Å; M1146-V1150 PolarHBondContact O-N 3.03Å; K1147-V1150 PolarHBondContact O-N 3.5Å; R1148-V1150 PolarHBondContact O-N 3.25Å; V1150-A1153 PolarHBondContact O-N 3.29Å; V1150-K1154 VanDerWaalsContact O-CB 3.23Å; V1150-K1154 WeakPolarHBondContact O-CB 3.48Å; V1150-K1154 PolarHBondContact O-N 3.02Å
1151	Y	94.9	Very high	90.2	Very high	34 Å²	34	61.6 Å²	61.6	13%	0.133	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-50	174.4	-172.3	-77.6	0	0	0	110.9	L1127 K1147 R1148 A1153 K1154 F1155 E1157 M1159 P1160	L1127-Y1151 HydrophobicContact CD1-CD2 3.56Å; L1127-Y1151 HydrophobicContact CD1-CE2 4.48Å; L1127-Y1151 HydrophobicContact CD1-CG 4.26Å; K1147-Y1151 WeakPolarHBondContact O-CB 3.34Å; K1147-Y1151 PolarHBondContact O-N 3.37Å; R1148-Y1151 PolarHBondContact O-N 2.93Å; Y1151-A1153 VanDerWaalsContact C-N 3.33Å; Y1151-A1153 PolarHBondContact O-N 3.41Å; Y1151-K1154 PolarHBondContact O-N 3.16Å; Y1151-K1154 VanDerWaalsContact O-N 3.1Å; Y1151-F1155 HydrophobicContact CD1-CB 4.48Å; Y1151-F1155 AromaticContact CD1-CD2 3.89Å; Y1151-F1155 HydrophobicContact CD1-CD2 3.89Å; Y1151-F1155 AromaticContact CD2-CD2 3.63Å; Y1151-F1155 HydrophobicContact CD2-CD2 3.63Å; Y1151-F1155 AromaticContact CD2-CE2 3.72Å; Y1151-F1155 HydrophobicContact CD2-CE2 3.72Å; Y1151-F1155 HydrophobicContact CE1-CB 4.14Å; Y1151-F1155 AromaticContact CE1-CD2 3.8Å; Y1151-F1155 HydrophobicContact CE1-CD2 3.8Å; Y1151-F1155 HydrophobicContact CE1-CG 4.33Å; Y1151-F1155 AromaticContact CE2-CD2 3.54Å; Y1151-F1155 HydrophobicContact CE2-CD2 3.54Å; Y1151-F1155 AromaticContact CE2-CE2 3.62Å; Y1151-F1155 HydrophobicContact CE2-CE2 3.62Å; Y1151-F1155 AromaticContact CG-CD2 3.79Å; Y1151-F1155 HydrophobicContact CG-CD2 3.79Å; Y1151-F1155 HydrophobicContact CG-CE2 4.3Å; Y1151-F1155 AromaticContact CZ-CD2 3.62Å; Y1151-F1155 WeakPolarHBondContact O-CD2 3.49Å; Y1151-F1155 PolarHBondContact O-N 3.09Å; Y1151-E1157 WeakPolarHBondContact CD1-O 3.37Å; Y1151-E1157 HydrophobicContact CE1-CG 3.91Å; Y1151-M1159 HydrophobicContact CD1-CB 3.73Å; Y1151-M1159 HydrophobicContact CD1-CG 4.25Å; Y1151-M1159 HydrophobicContact CD2-CB 4.22Å; Y1151-M1159 HydrophobicContact CD2-CG 3.83Å; Y1151-M1159 HydrophobicContact CD2-SD 4.36Å; Y1151-M1159 HydrophobicContact CE1-CB 4.17Å; Y1151-M1159 HydrophobicContact CE2-CG 4.17Å; Y1151-M1159 HydrophobicContact CG-CB 3.77Å; Y1151-M1159 HydrophobicContact CG-CG 3.9Å; Y1151-M1159 HydrophobicContact CG-SD 4.46Å; Y1151-P1160 VanDerWaalsContact OH-CD 3.26Å; Y1151-P1160 WeakPolarHBondContact OH-CD 3.4Å
1152	Q	93.9	Very high	88.7	Confident	82 Å²	82	56.6 Å²	56.6	38%	0.383	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-39.8	177.3	178.5	65	64.6	0	0	112.3	R1148 K1154 G1156 E1157	R1148-Q1152 VanDerWaalsContact O-CB 3.29Å; R1148-Q1152 WeakPolarHBondContact O-CB 3.22Å; R1148-Q1152 PolarHBondContact O-N 2.94Å; Q1152-K1154 VanDerWaalsContact C-N 3.33Å; Q1152-G1156 PolarHBondContact NE2-O 2.82Å; Q1152-G1156 VanDerWaalsContact O-CA 3.26Å; Q1152-G1156 WeakPolarHBondContact O-CA 3.45Å; Q1152-G1156 PolarHBondContact O-N 3.13Å; Q1152-E1157 WeakPolarHBondContact CA-O 3.38Å; Q1152-E1157 PolarHBondContact OE1-O 3.21Å; Q1152-E1157 VanDerWaalsContact OE1-O 3.12Å
1153	A	93.9	Very high	86.4	Confident	42 Å²	42	61.4 Å²	61.4	35%	0.347	37%	0.37	S	S	.	.	H	α-helix	trans	-68.5	-32.4	175.2	0	0	0	0	0	112.7	P1075 I1077 A1149 V1150 Y1151	P1075-A1153 HydrophobicContact CG-CB 3.91Å; P1075-A1153 WeakPolarHBondContact O-CB 3.22Å; I1077-A1153 HydrophobicContact CG2-CB 3.93Å; A1149-A1153 WeakPolarHBondContact O-CB 3.45Å; A1149-A1153 PolarHBondContact O-N 2.81Å; V1150-A1153 PolarHBondContact O-N 3.29Å; Y1151-A1153 VanDerWaalsContact C-N 3.33Å; Y1151-A1153 PolarHBondContact O-N 3.41Å
1154	K	93.9	Very high	86	Confident	65 Å²	65	64.5 Å²	64.5	28%	0.283	39%	0.388	S	S	.	.	H	α-helix	trans	-79.9	-46	-178.2	-176.1	166.6	-176.8	161.5	0	113.5	I1077 Y1124 A1125 L1127 V1150 Y1151 Q1152	I1077-K1154 HydrophobicContact CD1-CB 4.39Å; I1077-K1154 HydrophobicContact CD1-CG 4.35Å; I1077-K1154 HydrophobicContact CG2-CB 4.14Å; Y1124-K1154 PolarHBondContact O-NZ 2.73Å; A1125-K1154 VanDerWaalsContact C-NZ 3.29Å; A1125-K1154 PolarHBondContact O-NZ 2.82Å; L1127-K1154 HydrophobicContact CD2-CD 4.47Å; V1150-K1154 VanDerWaalsContact O-CB 3.23Å; V1150-K1154 WeakPolarHBondContact O-CB 3.48Å; V1150-K1154 PolarHBondContact O-N 3.02Å; Y1151-K1154 PolarHBondContact O-N 3.16Å; Y1151-K1154 VanDerWaalsContact O-N 3.1Å; Q1152-K1154 VanDerWaalsContact C-N 3.33Å
1155	F	94.1	Very high	85.8	Confident	106 Å²	106	65.7 Å²	65.7	47%	0.465	40%	0.397	S	S	.	.	H	α-helix	trans	-107.4	-13.5	-170.8	-60.1	-68.8	0	0	0	113.4	L1127 Y1151 E1157	L1127-F1155 HydrophobicContact CD1-CE2 4.07Å; Y1151-F1155 HydrophobicContact CD1-CB 4.48Å; Y1151-F1155 AromaticContact CD1-CD2 3.89Å; Y1151-F1155 HydrophobicContact CD1-CD2 3.89Å; Y1151-F1155 AromaticContact CD2-CD2 3.63Å; Y1151-F1155 HydrophobicContact CD2-CD2 3.63Å; Y1151-F1155 AromaticContact CD2-CE2 3.72Å; Y1151-F1155 HydrophobicContact CD2-CE2 3.72Å; Y1151-F1155 HydrophobicContact CE1-CB 4.14Å; Y1151-F1155 AromaticContact CE1-CD2 3.8Å; Y1151-F1155 HydrophobicContact CE1-CD2 3.8Å; Y1151-F1155 HydrophobicContact CE1-CG 4.33Å; Y1151-F1155 AromaticContact CE2-CD2 3.54Å; Y1151-F1155 HydrophobicContact CE2-CD2 3.54Å; Y1151-F1155 AromaticContact CE2-CE2 3.62Å; Y1151-F1155 HydrophobicContact CE2-CE2 3.62Å; Y1151-F1155 AromaticContact CG-CD2 3.79Å; Y1151-F1155 HydrophobicContact CG-CD2 3.79Å; Y1151-F1155 HydrophobicContact CG-CE2 4.3Å; Y1151-F1155 AromaticContact CZ-CD2 3.62Å; Y1151-F1155 WeakPolarHBondContact O-CD2 3.49Å; Y1151-F1155 PolarHBondContact O-N 3.09Å; F1155-E1157 HydrophobicContact CB-CG 4.11Å; F1155-E1157 PolarHBondContact O-N 3.3Å
1156	G	91.2	Very high	85.6	Confident	57 Å²	57	65.4 Å²	65.4	59%	0.588	40%	0.398	S	S	*	.	S	Bend	trans	76.1	6.5	-179	0	0	0	0	0	114.3	Q1152	Q1152-G1156 PolarHBondContact NE2-O 2.82Å; Q1152-G1156 VanDerWaalsContact O-CA 3.26Å; Q1152-G1156 WeakPolarHBondContact O-CA 3.45Å; Q1152-G1156 PolarHBondContact O-N 3.13Å
1157	E	91.7	Very high	85.2	Confident	109 Å²	109	69.1 Å²	69.1	51%	0.509	42%	0.42	S	S	.	.	S	Bend	trans	-132.8	166.5	-178.6	70	-169.9	168	0	0	112.5	Y1151 Q1152 F1155	Y1151-E1157 WeakPolarHBondContact CD1-O 3.37Å; Y1151-E1157 HydrophobicContact CE1-CG 3.91Å; Q1152-E1157 WeakPolarHBondContact CA-O 3.38Å; Q1152-E1157 PolarHBondContact OE1-O 3.21Å; Q1152-E1157 VanDerWaalsContact OE1-O 3.12Å; F1155-E1157 HydrophobicContact CB-CG 4.11Å; F1155-E1157 PolarHBondContact O-N 3.3Å
1158	V	86.9	Confident	84.7	Confident	99 Å²	99	72.4 Å²	72.4	60%	0.6	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-75.4	134.7	-179.8	-174.7	0	0	0	0	109.5	S1162	V1158-S1162 WeakPolarHBondContact CG1-OG 3.47Å
1159	M	88.2	Confident	84.2	Confident	51 Å²	51	71.1 Å²	71.1	25%	0.251	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-57.4	124.8	179.6	-170.9	175.5	176.5	0	0	111.7	K1147 R1148 Y1151 S1162	K1147-M1159 HydrophobicContact CB-SD 4.45Å; R1148-M1159 HydrophobicContact CG-CB 4.21Å; R1148-M1159 HydrophobicContact CG-SD 4.21Å; Y1151-M1159 HydrophobicContact CD1-CB 3.73Å; Y1151-M1159 HydrophobicContact CD1-CG 4.25Å; Y1151-M1159 HydrophobicContact CD2-CB 4.22Å; Y1151-M1159 HydrophobicContact CD2-CG 3.83Å; Y1151-M1159 HydrophobicContact CD2-SD 4.36Å; Y1151-M1159 HydrophobicContact CE1-CB 4.17Å; Y1151-M1159 HydrophobicContact CE2-CG 4.17Å; Y1151-M1159 HydrophobicContact CG-CB 3.77Å; Y1151-M1159 HydrophobicContact CG-CG 3.9Å; Y1151-M1159 HydrophobicContact CG-SD 4.46Å; M1159-S1162 VanDerWaalsContact O-CB 3.23Å; M1159-S1162 WeakPolarHBondContact O-CB 3.43Å; M1159-S1162 PolarHBondContact O-N 2.83Å; M1159-S1162 PolarHBondContact O-OG 2.77Å; M1159-S1162 VanDerWaalsContact O-OG 3.1Å
1160	P	78.6	Confident	83.6	Confident	99 Å²	99	74.1 Å²	74.1	64%	0.643	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	139.9	179.1	-25.9	33	0	0	0	112.8	Y1151	Y1151-P1160 VanDerWaalsContact OH-CD 3.26Å; Y1151-P1160 WeakPolarHBondContact OH-CD 3.4Å
1161	G	71.3	Confident	82.8	Confident	72 Å²	72	79.8 Å²	79.8	74%	0.742	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	15.3	-176.7	0	0	0	0	0	115
1162	S	57.1	Low	81.8	Confident	51 Å²	51	83.7 Å²	83.7	36%	0.357	53%	0.53	S	S	.	.			trans	-86.2	-3.5	179.4	65.4	0	0	0	0	115.6	V1158 M1159	V1158-S1162 WeakPolarHBondContact CG1-OG 3.47Å; M1159-S1162 VanDerWaalsContact O-CB 3.23Å; M1159-S1162 WeakPolarHBondContact O-CB 3.43Å; M1159-S1162 PolarHBondContact O-N 2.83Å; M1159-S1162 PolarHBondContact O-OG 2.77Å; M1159-S1162 VanDerWaalsContact O-OG 3.1Å
1163	S	40.4	Very low	80.7	Confident	171 Å²	171	83.8 Å²	83.8	100%	1.196	54%	0.544	S	S	*	.			trans	-88.7	0	168.2	60.7	0	0	0	0	109.8

Retrieved 1,163 of 1,163 residues in 2662 ms (Link to these results)

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