A0A087XDS7_POEFO Loading...

Leucine rich repeat containing G protein-coupled receptor 6

AlphaFold DB , UniProt , Accession A0A087XDS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 931 aa.

						>A0A087XDS7_POEFO|A0A087XDS7
MLLGVLLLCAAGGKWGSTPGAWGHGQVQERQESEAACPAPCQCEEDGIFIMVDCSEMGLSSVPAGLSPFTTYLDLSMNNISEIQPRAFHRLHLLSELRISGNQLRYISGNALQGLHNLRVLMLQNNQLERLPDDAPWDLPSLLSLWRLDANLLSKVPPEAFKGVCSLRHLWLDDNSLTEIPVTALGSLSSLQAMTLALNQITHIPDYAFTNLSGLVVLHLHNNHIQSMGSRCFEGLQSLETLDLNYNDLQEFPMAIRTLSKLQELGFHNNNIKAIPERAFVGNPQLQTIHFYENPIQFVGKSAFQFLPKLHTLSLNGATQIQEFPDLKGTTSLEILTLTRAGLSALPLDLCEQLPHLRVLELSYNQIEDLPSFYHCSALQEIGLQHNQVRRIESSTFQQLTSLRALDLSWNTIEWIHPDAFTSLHSLIKLDLTENRLSSVPVAGLGGLTHLKLRGNKDLYEAFSPDHFPQMRVIEMPYAYQCCVYASCNTYKPTTQWDTELSNTNEDLHKRTVAMYPVHADTNYDPDLEEFQLEIEESKLQTSVQCTPMPGPFRPCDSLLGSWLVRVGLWSISLVSLLGNAILFLSLFGSPGSLSPLRFIVACMGASNLLMGVCTCTLVLVDALTLGEFNDHGARWEGGPGCQATGWVWVFASEASVLLLTLAAVQCGASVTCARAYGKSPSLSSVRTCAYFCLTLCLTIASLPLVGVGEYGSSPFCLPSPLPTPSSRLPSSLGFPLALIMMNTICLLIVTGSYIRLYWELLRGECEGLWDCAMIKHVAWLIFTNGLLYIPVAFLSLCSLLGLLSLGEEVLKSVLLLLQPLPACLNPLLFLLFTRDHSQLFSWSCPKTRPQLRRDRTLDSLVSVETEKSSCSDSSTQVSLTDADAMYREGSTPQPGRETTRFSQCSSTSSVHLIPCQVPIATAKGRERVTE
					

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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	32.2	Very low	28.1	Very low	230 Å²	230	137.8 Å²	137.8	100%	1.133	83%	0.83	S	S	*	*				0	137.3	0	-65.7	168.9	65.4	0	0	107
2	L	25.1	Very low	28.1	Very low	146 Å²	146	133.3 Å²	133.3	76%	0.764	83%	0.833	S	S	*	*			cis	-151.1	-178.6	-9.2	-142.2	93	0	0	0	109.7
3	L	26.7	Very low	28	Very low	153 Å²	153	129.4 Å²	129.4	80%	0.801	83%	0.834	S	S	*	*			trans	-53.2	169.9	-178.4	-74.5	64.7	0	0	0	114.9
4	G	30.4	Very low	28.1	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	84%	0.837	S	S	*	*			cis	173	-166.4	10.9	0	0	0	0	0	110.2
5	V	30.8	Very low	28.1	Very low	134 Å²	134	143.1 Å²	143.1	81%	0.812	85%	0.848	S	S	*	*			cis	-168.3	164.6	-11.2	141.5	0	0	0	0	107.8
6	L	28.4	Very low	28.1	Very low	146 Å²	146	138.3 Å²	138.3	76%	0.764	84%	0.837	S	S	*	*			trans	-78.1	159.1	-174.6	-63.5	87.6	0	0	0	116.9
7	L	26.7	Very low	28.1	Very low	170 Å²	170	136.5 Å²	136.5	89%	0.89	83%	0.832	S	S	*	*			trans	-176.6	130	145.2	-102.3	159.3	0	0	0	108.8
8	L	27.4	Very low	28.2	Very low	141 Å²	141	136.2 Å²	136.2	74%	0.738	83%	0.83	S	S	*	*			cis	105.8	84.7	2.4	-147.7	-175.9	0	0	0	117.1
9	C	25.4	Very low	28.4	Very low	129 Å²	129	136.1 Å²	136.1	87%	0.872	83%	0.833	S	S	*	*			trans	-170.1	162	163.2	-96.2	0	0	0	0	109
10	A	27.5	Very low	28.5	Very low	92 Å²	92	133 Å²	133	76%	0.76	83%	0.829	S	S	*	*			cis	-177.2	166.1	-12.5	0	0	0	0	0	108.1
11	A	28.9	Very low	28.5	Very low	103 Å²	103	130.9 Å²	130.9	85%	0.851	83%	0.825	S	S	*	*			cis	-173.4	149.6	-27.8	0	0	0	0	0	110
12	G	27.1	Very low	28.3	Very low	84 Å²	84	132.3 Å²	132.3	87%	0.866	82%	0.818	S	S	*	*			trans	127.6	148.5	174.7	0	0	0	0	0	113.9
13	G	27.6	Very low	28.4	Very low	82 Å²	82	129.1 Å²	129.1	85%	0.845	82%	0.82	S	S	*	*			cis	-154	175.5	-0.3	0	0	0	0	0	112.7
14	K	28.6	Very low	28.6	Very low	202 Å²	202	131.8 Å²	131.8	88%	0.878	83%	0.828	S	S	*	*			trans	-92.5	158.2	-176.8	-69	178.9	175.8	178.1	0	113
15	W	28.4	Very low	28.5	Very low	263 Å²	263	131.9 Å²	131.9	100%	0.996	83%	0.829	S	S	*	*			trans	168.7	149.8	133.3	-88.1	26.6	0	0	0	106.9
16	G	28.2	Very low	28.9	Very low	66 Å²	66	134.8 Å²	134.8	68%	0.68	83%	0.834	S	S	*	*			cis	-174.6	130.8	-10.5	0	0	0	0	0	112.4
17	S	27.7	Very low	29	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	83%	0.834	S	S	*	*			trans	36.6	115.6	155.1	56.8	0	0	0	0	123.5
18	T	29.6	Very low	29.5	Very low	130 Å²	130	135 Å²	135	80%	0.798	84%	0.835	S	S	*	*			trans	62.4	125	131.4	59.8	0	0	0	0	122.8
19	P	32.5	Very low	29.7	Very low	135 Å²	135	136.7 Å²	136.7	88%	0.877	84%	0.839	S	S	*	*			trans	-89.7	162.2	150.6	37.2	-32.3	0	0	0	112.1
20	G	30.3	Very low	29.9	Very low	74 Å²	74	142 Å²	142	76%	0.763	84%	0.84	S	S	*	*			trans	-119.6	129.4	-177.9	0	0	0	0	0	115.2
21	A	29	Very low	30	Very low	88 Å²	88	147 Å²	147	73%	0.727	85%	0.848	S	S	*	*			trans	56.3	118.9	134.9	0	0	0	0	0	122.9
22	W	28.2	Very low	30.3	Very low	261 Å²	261	150.8 Å²	150.8	99%	0.989	85%	0.848	S	S	*	*			trans	80.9	138.5	139.5	-68.1	36.1	0	0	0	120.2
23	G	27.8	Very low	30.8	Very low	79 Å²	79	152.2 Å²	152.2	81%	0.814	85%	0.845	S	S	*	*			trans	149.5	101	165.5	0	0	0	0	0	114
24	H	31.2	Very low	31.6	Very low	209 Å²	209	157.3 Å²	157.3	97%	0.968	85%	0.846	S	S	*	*			trans	-81.9	141.2	170.6	-95.6	-86.6	0	0	0	111.3
25	G	28.2	Very low	32.8	Very low	74 Å²	74	150.7 Å²	150.7	76%	0.763	83%	0.83	S	S	*	*			trans	-174.8	109.6	165.1	0	0	0	0	0	111.9
26	Q	37.8	Very low	34.7	Very low	195 Å²	195	142 Å²	142	91%	0.911	81%	0.814	S	S	*	*			trans	-84.3	128.2	171.8	-68.6	179.8	-74.7	0	0	110.3
27	V	30.8	Very low	37.3	Very low	127 Å²	127	141.3 Å²	141.3	77%	0.77	80%	0.798	S	S	*	*			trans	-133.5	140.2	146.1	-174.5	0	0	0	0	106.9	E29	V27-E29 HydrophobicContact CG1-CG 4.08Å
28	Q	37.9	Very low	39.9	Very low	194 Å²	194	137 Å²	137	91%	0.907	77%	0.767	S	S	*	*			trans	-107.8	95.7	-176.9	-177.8	174.4	-12.2	0	0	109.2
29	E	30.9	Very low	42.4	Very low	176 Å²	176	135.4 Å²	135.4	82%	0.822	77%	0.767	S	S	*	*			trans	-101.1	168.3	175	-64.8	-164.8	125.8	0	0	111.9	V27	V27-E29 HydrophobicContact CG1-CG 4.08Å
30	R	29.6	Very low	45	Very low	239 Å²	239	132.4 Å²	132.4	90%	0.902	75%	0.748	S	S	*	*			trans	-86.6	143.5	-161.9	-62.6	173.1	-176.4	157.8	1.9	111.3	E32	R30-E32 PolarHBondContact O-N 3.09Å; R30-E32 VanDerWaalsContact O-N 3.09Å
31	Q	30	Very low	47.8	Very low	198 Å²	198	129.5 Å²	129.5	93%	0.925	72%	0.716	S	S	*	*			trans	-73.1	96.3	164	-67.2	175.4	-89.9	0	0	109.1
32	E	34.5	Very low	50.8	Low	182 Å²	182	132.3 Å²	132.3	85%	0.85	71%	0.714	S	S	*	*			trans	-79.7	133.2	147.7	-68.1	-176.8	153	0	0	107	R30 E34	R30-E32 PolarHBondContact O-N 3.09Å; R30-E32 VanDerWaalsContact O-N 3.09Å; E32-E34 PolarHBondContact O-N 3.44Å
33	S	38.4	Very low	53.8	Low	114 Å²	114	121.9 Å²	121.9	80%	0.797	68%	0.681	S	S	*	*			trans	-83.2	114.1	-174.7	54.4	0	0	0	0	110.5	A35	S33-A35 PolarHBondContact O-N 2.88Å
34	E	43.2	Very low	56.7	Low	189 Å²	189	124.3 Å²	124.3	88%	0.883	67%	0.67	S	S	*	*			trans	-51.3	126.6	164.8	-66.5	174.2	126.6	0	0	109.4	E32 A36	E32-E34 PolarHBondContact O-N 3.44Å; E34-A36 PolarHBondContact O-N 3.28Å
35	A	55.2	Low	59.3	Low	64 Å²	64	121.9 Å²	121.9	53%	0.529	66%	0.66	S	S	.	*			trans	-79.6	67.7	-178	0	0	0	0	0	110.5	S33 C37	S33-A35 PolarHBondContact O-N 2.88Å; A35-C37 PolarHBondContact O-N 3.41Å
36	A	67.1	Low	61.7	Low	80 Å²	80	123.5 Å²	123.5	66%	0.661	65%	0.651	S	S	*	*			trans	-55.2	131.9	-174.2	0	0	0	0	0	112.6	E34	E34-A36 PolarHBondContact O-N 3.28Å
37	C	82.7	Confident	63.8	Low	51 Å²	51	118 Å²	118	35%	0.345	65%	0.646	S	S	.	*			trans	-55.6	135.8	173	-171.5	0	0	0	0	110.8	A35 A39 C41 Q42 C43	A35-C37 PolarHBondContact O-N 3.41Å; C37-A39 PolarHBondContact O-N 3.1Å; C37-A39 VanDerWaalsContact O-N 3.1Å; C37-C41 PolarHBondContact SG-O 2.86Å; C37-C41 VanDerWaalsContact SG-O 3.37Å; C37-Q42 VanDerWaalsContact SG-C 3.56Å; C37-C43 VanDerWaalsContact CA-SG 3.58Å; C37-C43 HydrophobicContact CB-CB 3.73Å; C37-C43 WeakPolarHBondContact CB-SG 3.18Å; C37-C43 WeakPolarHBondContact SG-CB 3.26Å; C37-C43 PolarHBondContact SG-N 3.1Å; C37-C43 VanDerWaalsContact SG-N 3.36Å; C37-C43 CovalentContact SG-SG 2.03Å; C37-C43 PolarHBondContact SG-SG 2.92Å
38	P	84	Confident	66	Low	17 Å²	17	118 Å²	118	11%	0.11	64%	0.641	C	S	.	*			trans	-73.2	106.1	-178	-7.8	22.9	0	0	0	110.4	C41 P63 L66	P38-C41 WeakPolarHBondContact O-CA 3.45Å; P38-C41 WeakPolarHBondContact O-CB 3.01Å; P38-C41 PolarHBondContact O-N 2.96Å; P38-C41 PolarHBondContact O-SG 2.85Å; P38-P63 HydrophobicContact CB-CB 3.91Å; P38-P63 HydrophobicContact CG-CB 4.4Å; P38-L66 HydrophobicContact CG-CD2 3.86Å; P38-L66 HydrophobicContact CG-CG 4.31Å
39	A	81.4	Confident	68.3	Low	97 Å²	97	113.1 Å²	113.1	80%	0.802	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	135.3	172.3	0	0	0	0	0	110.5	C37	C37-A39 PolarHBondContact O-N 3.1Å; C37-A39 VanDerWaalsContact O-N 3.1Å
40	P	86.1	Confident	71.1	Confident	73 Å²	73	105.5 Å²	105.5	47%	0.474	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	cis	-92.2	7.6	14.4	38.3	-38.6	0	0	0	116	M57 L59	P40-M57 HydrophobicContact CB-SD 3.99Å; P40-M57 HydrophobicContact CG-CB 3.93Å; P40-M57 HydrophobicContact CG-CG 3.96Å; P40-M57 HydrophobicContact CG-SD 4.03Å; P40-L59 HydrophobicContact CG-CD2 4.25Å
41	C	90.1	Very high	74	Confident	13 Å²	13	97.2 Å²	97.2	9%	0.088	55%	0.554	C	S	.	*			trans	-64.4	157.6	-176.6	-47.1	0	0	0	0	113.2	C37 P38 V52 D53 C54	C37-C41 PolarHBondContact SG-O 2.86Å; C37-C41 VanDerWaalsContact SG-O 3.37Å; P38-C41 WeakPolarHBondContact O-CA 3.45Å; P38-C41 WeakPolarHBondContact O-CB 3.01Å; P38-C41 PolarHBondContact O-N 2.96Å; P38-C41 PolarHBondContact O-SG 2.85Å; C41-V52 HydrophobicContact CB-CG1 4.21Å; C41-D53 CarbonylContact C-O 3.13Å; C41-D53 WeakPolarHBondContact CA-O 3.36Å; C41-D53 VanDerWaalsContact CB-O 3.29Å; C41-D53 WeakPolarHBondContact CB-O 3.21Å; C41-C54 HydrophobicContact CB-CB 3.96Å; C41-C54 WeakPolarHBondContact CB-SG 3.5Å; C41-C54 WeakPolarHBondContact SG-CB 3.19Å; C41-C54 CovalentContact SG-SG 2.03Å; C41-C54 PolarHBondContact SG-SG 3.25Å
42	Q	91	Very high	77.1	Confident	147 Å²	147	87.9 Å²	87.9	69%	0.687	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	145.5	167.6	-176.3	167.8	-32.4	0	0	109.6	C37 D53	C37-Q42 VanDerWaalsContact SG-C 3.56Å; Q42-D53 PolarHBondContact N-O 2.85Å; Q42-D53 PolarHBondContact O-N 3.49Å
43	C	90.9	Very high	79.9	Confident	42 Å²	42	82.2 Å²	82.2	28%	0.284	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	145	175.8	-58.3	0	0	0	0	110.7	C37 I50 M51	C37-C43 VanDerWaalsContact CA-SG 3.58Å; C37-C43 HydrophobicContact CB-CB 3.73Å; C37-C43 WeakPolarHBondContact CB-SG 3.18Å; C37-C43 WeakPolarHBondContact SG-CB 3.26Å; C37-C43 PolarHBondContact SG-N 3.1Å; C37-C43 VanDerWaalsContact SG-N 3.36Å; C37-C43 CovalentContact SG-SG 2.03Å; C37-C43 PolarHBondContact SG-SG 2.92Å; C43-I50 HydrophobicContact CB-CG2 4.06Å; C43-M51 CarbonylContact C-O 3.52Å; C43-M51 VanDerWaalsContact CA-O 3.26Å; C43-M51 WeakPolarHBondContact CA-O 3.05Å
44	E	89.6	Confident	82.5	Confident	129 Å²	129	76.8 Å²	76.8	60%	0.603	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.6	174.4	-177.2	169.6	-156.6	0	0	109.5	I50 M51	E44-I50 WeakPolarHBondContact O-CA 3.43Å; E44-M51 HydrophobicContact CB-CE 4.08Å; E44-M51 HydrophobicContact CG-CE 3.87Å; E44-M51 PolarHBondContact N-O 2.03Å; E44-M51 PolarHBondContact O-N 3.36Å; E44-M51 VanDerWaalsContact OE2-CE 3.3Å; E44-M51 WeakPolarHBondContact OE2-CE 3.45Å
45	E	86.6	Confident	85	Confident	158 Å²	158	69.2 Å²	69.2	74%	0.738	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.9	-175.3	-62.7	-174.7	158.2	0	0	110.9
46	D	78.2	Confident	86.8	Confident	109 Å²	109	73.4 Å²	73.4	58%	0.583	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	82.8	171.6	-176	21.7	0	0	0	109.9	I48 F49	D46-I48 PolarHBondContact O-N 3.04Å; D46-F49 PolarHBondContact N-O 3.37Å; D46-F49 PolarHBondContact O-N 3.07Å
47	G	81.3	Confident	88	Confident	79 Å²	79	73.8 Å²	73.8	81%	0.814	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	-79.4	177.3	0	0	0	0	0	114.2
48	I	77.9	Confident	88.4	Confident	126 Å²	126	74 Å²	74	65%	0.646	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	-17.9	174.3	-61.1	175.7	0	0	0	110.5	D46 F69	D46-I48 PolarHBondContact O-N 3.04Å; I48-F69 HydrophobicContact CG2-CD1 3.92Å; I48-F69 HydrophobicContact CG2-CE1 4.14Å; I48-F69 WeakPolarHBondContact O-CB 3.5Å
49	F	85.6	Confident	88.7	Confident	92 Å²	92	74.5 Å²	74.5	40%	0.404	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	152	-176.5	-57	-57.8	0	0	0	111.4	D46 T71 L93	D46-F49 PolarHBondContact N-O 3.37Å; D46-F49 PolarHBondContact O-N 3.07Å; F49-T71 HydrophobicContact CB-CG2 3.65Å; F49-T71 HydrophobicContact CD1-CG2 3.32Å; F49-T71 HydrophobicContact CE1-CG2 4.1Å; F49-T71 HydrophobicContact CG-CG2 3.61Å; F49-L93 HydrophobicContact CE1-CD1 4.43Å
50	I	88.8	Confident	89.2	Confident	16 Å²	16	73.9 Å²	73.9	8%	0.082	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.6	179	-53.1	-177.5	0	0	0	109.7	C43 E44 V52 F69 T70 T71	C43-I50 HydrophobicContact CB-CG2 4.06Å; E44-I50 WeakPolarHBondContact O-CA 3.43Å; I50-V52 HydrophobicContact CG2-CG2 3.86Å; I50-F69 HydrophobicContact CG1-CB 4.43Å; I50-F69 PolarHBondContact N-O 3.16Å; I50-F69 VanDerWaalsContact N-O 3.1Å; I50-T70 CarbonylContact O-C 3.57Å; I50-T70 WeakPolarHBondContact O-CA 3.33Å; I50-T71 PolarHBondContact O-N 2.9Å; I50-T71 PolarHBondContact O-OG1 2.83Å
51	M	91.8	Very high	89.4	Confident	65 Å²	65	73.7 Å²	73.7	32%	0.32	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.7	167.4	-56.8	-172.8	-68.4	0	0	107.9	C43 E44 Y72	C43-M51 CarbonylContact C-O 3.52Å; C43-M51 VanDerWaalsContact CA-O 3.26Å; C43-M51 WeakPolarHBondContact CA-O 3.05Å; E44-M51 HydrophobicContact CB-CE 4.08Å; E44-M51 HydrophobicContact CG-CE 3.87Å; E44-M51 PolarHBondContact N-O 2.03Å; E44-M51 PolarHBondContact O-N 3.36Å; E44-M51 VanDerWaalsContact OE2-CE 3.3Å; E44-M51 WeakPolarHBondContact OE2-CE 3.45Å; M51-Y72 HydrophobicContact CB-CD1 4.23Å
52	V	93.8	Very high	89.4	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.012	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	122.3	-176.5	-177.4	0	0	0	0	109.5	C41 I50 L66 T70 Y72 L73 D74	C41-V52 HydrophobicContact CB-CG1 4.21Å; I50-V52 HydrophobicContact CG2-CG2 3.86Å; V52-L66 HydrophobicContact CG1-CD2 3.97Å; V52-L66 HydrophobicContact CG2-CD2 4.43Å; V52-T70 HydrophobicContact CB-CG2 4.19Å; V52-T70 HydrophobicContact CG2-CG2 3.65Å; V52-Y72 PolarHBondContact N-O 2.85Å; V52-L73 HydrophobicContact CB-CD1 3.9Å; V52-L73 HydrophobicContact CG1-CD1 3.81Å; V52-L73 WeakPolarHBondContact O-CA 3.3Å; V52-D74 PolarHBondContact O-N 3.37Å
53	D	94.1	Very high	89.3	Confident	63 Å²	63	68.4 Å²	68.4	34%	0.337	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.2	176.6	-171	-7.8	0	0	0	110.2	C41 Q42 S55	C41-D53 CarbonylContact C-O 3.13Å; C41-D53 WeakPolarHBondContact CA-O 3.36Å; C41-D53 VanDerWaalsContact CB-O 3.29Å; C41-D53 WeakPolarHBondContact CB-O 3.21Å; Q42-D53 PolarHBondContact N-O 2.85Å; Q42-D53 PolarHBondContact O-N 3.49Å; D53-S55 WeakPolarHBondContact OD1-CB 3.29Å; D53-S55 PolarHBondContact OD1-N 3.48Å; D53-S55 PolarHBondContact OD1-OG 3.42Å
54	C	93.8	Very high	88.9	Confident	0 Å²	0	71 Å²	71	0%	0	42%	0.418	C	S	.	.			trans	-116.6	19.1	175.5	-56.4	0	0	0	0	111.5	C41 M57 L59 D74 L75 N78	C41-C54 HydrophobicContact CB-CB 3.96Å; C41-C54 WeakPolarHBondContact CB-SG 3.5Å; C41-C54 WeakPolarHBondContact SG-CB 3.19Å; C41-C54 CovalentContact SG-SG 2.03Å; C41-C54 PolarHBondContact SG-SG 3.25Å; C54-M57 WeakPolarHBondContact O-CG 3.26Å; C54-L59 HydrophobicContact CB-CD1 3.84Å; C54-D74 WeakPolarHBondContact CA-O 3.38Å; C54-D74 VanDerWaalsContact CB-O 3.26Å; C54-D74 WeakPolarHBondContact CB-O 3.34Å; C54-D74 PolarHBondContact N-O 2.83Å; C54-L75 HydrophobicContact CB-CD2 3.87Å; C54-N78 PolarHBondContact O-ND2 2.97Å
55	S	94.2	Very high	88.5	Confident	30 Å²	30	68 Å²	68	21%	0.21	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	150.4	-175.5	62.8	0	0	0	0	113	D53 M57 S76	D53-S55 WeakPolarHBondContact OD1-CB 3.29Å; D53-S55 PolarHBondContact OD1-N 3.48Å; D53-S55 PolarHBondContact OD1-OG 3.42Å; S55-M57 WeakPolarHBondContact O-CG 3.02Å; S55-M57 PolarHBondContact O-N 3.32Å; S55-S76 VanDerWaalsContact CA-O 3.25Å; S55-S76 WeakPolarHBondContact CA-O 3.27Å
56	E	93.1	Very high	88.6	Confident	153 Å²	153	61.5 Å²	61.5	72%	0.715	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	4	179.4	-62.3	-173.7	-172.5	0	0	116.5	G58 S76 M77	E56-G58 PolarHBondContact O-N 2.91Å; E56-G58 VanDerWaalsContact O-N 3.15Å; E56-S76 PolarHBondContact N-O 2.81Å; E56-M77 WeakPolarHBondContact CA-O 3.02Å; E56-M77 HydrophobicContact CG-CB 3.66Å; E56-M77 HydrophobicContact CG-CG 4.27Å
57	M	92.5	Very high	89	Confident	88 Å²	88	56.9 Å²	56.9	43%	0.433	37%	0.368	S	S	.	.	S	Bend	trans	-74.2	-0.6	-174.9	-66.1	-61.4	162.9	0	0	115.5	P40 C54 S55 L59 N78	P40-M57 HydrophobicContact CB-SD 3.99Å; P40-M57 HydrophobicContact CG-CB 3.93Å; P40-M57 HydrophobicContact CG-CG 3.96Å; P40-M57 HydrophobicContact CG-SD 4.03Å; C54-M57 WeakPolarHBondContact O-CG 3.26Å; S55-M57 WeakPolarHBondContact O-CG 3.02Å; S55-M57 PolarHBondContact O-N 3.32Å; M57-L59 VanDerWaalsContact C-N 3.28Å; M57-L59 HydrophobicContact CB-CD1 4.3Å; M57-L59 HydrophobicContact CB-CD2 4.42Å; M57-L59 HydrophobicContact CB-CG 3.91Å; M57-L59 PolarHBondContact O-N 2.85Å; M57-N78 PolarHBondContact N-OD1 3.11Å
58	G	91	Very high	89.3	Confident	54 Å²	54	56.3 Å²	56.3	56%	0.557	35%	0.35	S	S	*	.			trans	67.3	21.3	-179.4	0	0	0	0	0	115.1	E56 N78	E56-G58 PolarHBondContact O-N 2.91Å; E56-G58 VanDerWaalsContact O-N 3.15Å; G58-N78 PolarHBondContact N-OD1 3.35Å
59	L	91.9	Very high	89.9	Confident	28 Å²	28	55 Å²	55	15%	0.147	34%	0.34	C	S	.	.			trans	-63	138.9	-177.3	-61.7	172.4	0	0	0	112.1	P40 C54 M57 P63 L75 N78 N79 I80	P40-L59 HydrophobicContact CG-CD2 4.25Å; C54-L59 HydrophobicContact CB-CD1 3.84Å; M57-L59 VanDerWaalsContact C-N 3.28Å; M57-L59 HydrophobicContact CB-CD1 4.3Å; M57-L59 HydrophobicContact CB-CD2 4.42Å; M57-L59 HydrophobicContact CB-CG 3.91Å; M57-L59 PolarHBondContact O-N 2.85Å; L59-P63 HydrophobicContact CD1-CG 3.85Å; L59-L75 HydrophobicContact CD1-CD2 4.37Å; L59-N78 HydrophobicContact CB-CB 4.25Å; L59-N78 WeakPolarHBondContact CB-OD1 3.43Å; L59-N78 PolarHBondContact N-OD1 2.64Å; L59-N79 CarbonylContact O-C 3.26Å; L59-N79 VanDerWaalsContact O-CA 3.29Å; L59-N79 WeakPolarHBondContact O-CA 3.47Å; L59-N79 PolarHBondContact O-N 2.87Å; L59-I80 WeakPolarHBondContact O-CG1 3.41Å; L59-I80 PolarHBondContact O-N 2.95Å
60	S	91.4	Very high	90.2	Very high	84 Å²	84	50.7 Å²	50.7	59%	0.587	32%	0.321	S	S	*	.	S	Bend	trans	-97.3	-9.1	174.9	55.4	0	0	0	0	114.1
61	S	90.5	Very high	90.3	Very high	69 Å²	69	51.1 Å²	51.1	48%	0.483	32%	0.324	S	S	.	.	S	Bend	trans	-154.2	165.2	178.1	61.8	0	0	0	0	111.5
62	V	90.3	Very high	90.4	Very high	26 Å²	26	50.1 Å²	50.1	16%	0.158	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-64.7	131.2	176.7	-178.7	0	0	0	0	110.3	A64 L66 L75 I83 F88	V62-A64 PolarHBondContact O-N 2.93Å; V62-L66 HydrophobicContact CG1-CD1 4.07Å; V62-L75 HydrophobicContact CG1-CD1 4.3Å; V62-L75 HydrophobicContact CG2-CD1 4.28Å; V62-I83 HydrophobicContact CG2-CG2 4.4Å; V62-F88 HydrophobicContact CG1-CD1 4.37Å; V62-F88 HydrophobicContact CG1-CE1 3.65Å; V62-F88 HydrophobicContact CG1-CZ 4.21Å; V62-F88 HydrophobicContact CG2-CE1 4.2Å; V62-F88 HydrophobicContact CG2-CZ 3.89Å
63	P	88.3	Confident	90.4	Very high	23 Å²	23	50 Å²	50	15%	0.149	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-57.2	134.5	179.1	-27.6	35.8	0	0	0	114.1	P38 L59 L75	P38-P63 HydrophobicContact CB-CB 3.91Å; P38-P63 HydrophobicContact CG-CB 4.4Å; L59-P63 HydrophobicContact CD1-CG 3.85Å; P63-L75 HydrophobicContact CG-CD2 4.2Å
64	A	82.1	Confident	90.5	Very high	97 Å²	97	47.6 Å²	47.6	80%	0.802	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	143.4	170.5	0	0	0	0	0	110.7	V62	V62-A64 PolarHBondContact O-N 2.93Å
65	G	82	Confident	90.6	Very high	66 Å²	66	47.6 Å²	47.6	68%	0.68	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	4.1	176	0	0	0	0	0	116	S67	G65-S67 PolarHBondContact O-N 2.9Å
66	L	87.4	Confident	90.6	Very high	22 Å²	22	46.6 Å²	46.6	12%	0.115	30%	0.297	C	S	.	.			trans	-50.7	136.5	174.4	-69.5	163.8	0	0	0	112.5	P38 V52 V62 L73 L91	P38-L66 HydrophobicContact CG-CD2 3.86Å; P38-L66 HydrophobicContact CG-CG 4.31Å; V52-L66 HydrophobicContact CG1-CD2 3.97Å; V52-L66 HydrophobicContact CG2-CD2 4.43Å; V62-L66 HydrophobicContact CG1-CD1 4.07Å; L66-L73 HydrophobicContact CD1-CD2 3.82Å; L66-L73 HydrophobicContact CD2-CD1 4Å; L66-L91 HydrophobicContact CB-CD1 4.45Å; L66-L91 HydrophobicContact CB-CD2 4.01Å; L66-L91 HydrophobicContact CD1-CD1 4.19Å
67	S	88	Confident	90.7	Very high	12 Å²	12	44.3 Å²	44.3	8%	0.084	29%	0.287	C	S	.	.			trans	-73.5	139.5	-175.4	-178.1	0	0	0	0	112.1	G65 F69 T70 L91	G65-S67 PolarHBondContact O-N 2.9Å; S67-F69 PolarHBondContact O-N 3.04Å; S67-F69 PolarHBondContact OG-N 2.97Å; S67-T70 WeakPolarHBondContact O-CB 3.11Å; S67-T70 PolarHBondContact O-N 3.28Å; S67-T70 PolarHBondContact O-OG1 3.03Å; S67-L91 WeakPolarHBondContact O-CD2 3.41Å
68	P	88	Confident	90.9	Very high	67 Å²	67	40.6 Å²	40.6	44%	0.435	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-18	172.4	-23.9	34.7	0	0	0	114.4
69	F	89.8	Confident	91	Very high	99 Å²	99	41.5 Å²	41.5	43%	0.434	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	1.6	178.6	-58.6	-70.8	0	0	0	114.5	I48 I50 S67 T71 L93	I48-F69 HydrophobicContact CG2-CD1 3.92Å; I48-F69 HydrophobicContact CG2-CE1 4.14Å; I48-F69 WeakPolarHBondContact O-CB 3.5Å; I50-F69 HydrophobicContact CG1-CB 4.43Å; I50-F69 PolarHBondContact N-O 3.16Å; I50-F69 VanDerWaalsContact N-O 3.1Å; S67-F69 PolarHBondContact O-N 3.04Å; S67-F69 PolarHBondContact OG-N 2.97Å; F69-T71 PolarHBondContact O-N 2.03Å; F69-L93 HydrophobicContact CD1-CD1 4.09Å
70	T	91.3	Very high	91.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	122	179.2	-63.3	0	0	0	0	111.7	I50 V52 S67 Y72 L73 L93 L94	I50-T70 CarbonylContact O-C 3.57Å; I50-T70 WeakPolarHBondContact O-CA 3.33Å; V52-T70 HydrophobicContact CB-CG2 4.19Å; V52-T70 HydrophobicContact CG2-CG2 3.65Å; S67-T70 WeakPolarHBondContact O-CB 3.11Å; S67-T70 PolarHBondContact O-N 3.28Å; S67-T70 PolarHBondContact O-OG1 3.03Å; T70-Y72 WeakPolarHBondContact CG2-O 3.47Å; T70-L73 HydrophobicContact CG2-CB 4.28Å; T70-L93 CarbonylContact O-C 3.29Å; T70-L94 HydrophobicContact CG2-CD1 3.9Å; T70-L94 WeakPolarHBondContact O-CA 3.42Å; T70-L94 PolarHBondContact O-N 3.06Å
71	T	92	Very high	91.2	Very high	25 Å²	25	39.6 Å²	39.6	15%	0.153	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-23.4	-179.9	48	0	0	0	0	113.6	F49 I50 F69 L93 S95 E96	F49-T71 HydrophobicContact CB-CG2 3.65Å; F49-T71 HydrophobicContact CD1-CG2 3.32Å; F49-T71 HydrophobicContact CE1-CG2 4.1Å; F49-T71 HydrophobicContact CG-CG2 3.61Å; I50-T71 PolarHBondContact O-N 2.9Å; I50-T71 PolarHBondContact O-OG1 2.83Å; F69-T71 PolarHBondContact O-N 2.03Å; T71-L93 HydrophobicContact CG2-CB 4.48Å; T71-S95 PolarHBondContact O-N 2.87Å; T71-S95 PolarHBondContact O-OG 2.81Å; T71-E96 PolarHBondContact O-N 3.13Å
72	Y	93.5	Very high	91.1	Very high	45 Å²	45	41.9 Å²	41.9	18%	0.176	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	132.5	177	172.9	-85.3	0	0	0	109.1	M51 V52 T70 D74 E96 R98	M51-Y72 HydrophobicContact CB-CD1 4.23Å; V52-Y72 PolarHBondContact N-O 2.85Å; T70-Y72 WeakPolarHBondContact CG2-O 3.47Å; Y72-D74 HydrophobicContact CE1-CB 3.83Å; Y72-D74 PolarHBondContact OH-OD2 3.23Å; Y72-E96 HydrophobicContact CD2-CB 4Å; Y72-E96 HydrophobicContact CD2-CG 4.01Å; Y72-E96 HydrophobicContact CE2-CG 4.09Å; Y72-R98 PolarHBondContact OH-NH1 2.75Å
73	L	94.4	Very high	91.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	114.9	176.7	177.7	57.8	0	0	0	110.7	V52 L66 T70 L75 F88 L91 L94 E96 L97 R98	V52-L73 HydrophobicContact CB-CD1 3.9Å; V52-L73 HydrophobicContact CG1-CD1 3.81Å; V52-L73 WeakPolarHBondContact O-CA 3.3Å; L66-L73 HydrophobicContact CD1-CD2 3.82Å; L66-L73 HydrophobicContact CD2-CD1 4Å; T70-L73 HydrophobicContact CG2-CB 4.28Å; L73-L75 HydrophobicContact CD1-CD2 4.42Å; L73-L75 HydrophobicContact CD1-CG 4.21Å; L73-L75 HydrophobicContact CD2-CD1 4.07Å; L73-L75 HydrophobicContact CG-CD1 4.17Å; L73-L75 HydrophobicContact CG-CG 4.12Å; L73-F88 HydrophobicContact CD2-CD1 4.26Å; L73-F88 HydrophobicContact CD2-CE1 3.92Å; L73-L91 HydrophobicContact CD2-CD1 4.17Å; L73-L94 HydrophobicContact CB-CD1 3.72Å; L73-L94 HydrophobicContact CB-CD2 4.5Å; L73-E96 PolarHBondContact N-O 2.8Å; L73-E96 VanDerWaalsContact N-O 3.1Å; L73-L97 HydrophobicContact CB-CD1 4.11Å; L73-L97 HydrophobicContact CD2-CD1 3.95Å; L73-L97 HydrophobicContact CG-CD1 4.02Å; L73-R98 PolarHBondContact O-N 3.12Å
74	D	95.4	Very high	90.9	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.059	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.1	170.6	-148.6	-33.8	0	0	0	111.2	V52 C54 Y72 S76 R98	V52-D74 PolarHBondContact O-N 3.37Å; C54-D74 WeakPolarHBondContact CA-O 3.38Å; C54-D74 VanDerWaalsContact CB-O 3.26Å; C54-D74 WeakPolarHBondContact CB-O 3.34Å; C54-D74 PolarHBondContact N-O 2.83Å; Y72-D74 HydrophobicContact CE1-CB 3.83Å; Y72-D74 PolarHBondContact OH-OD2 3.23Å; D74-S76 WeakPolarHBondContact OD1-CB 3.24Å; D74-S76 PolarHBondContact OD1-N 2.8Å; D74-S76 PolarHBondContact OD1-OG 2.8Å; D74-R98 WeakPolarHBondContact OD1-CB 3.17Å; D74-R98 WeakPolarHBondContact OD2-CD 3.38Å; D74-R98 IonicContact OD2-NH1 3.39Å; D74-R98 PolarHBondContact OD2-NH1 3.16Å
75	L	94.8	Very high	90.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.253	C	S	.	.			trans	-125.8	18.5	174.8	-65.5	163	0	0	0	110.5	C54 L59 V62 P63 L73 N78 I80 F88 L97 R98 I99 N102	C54-L75 HydrophobicContact CB-CD2 3.87Å; L59-L75 HydrophobicContact CD1-CD2 4.37Å; V62-L75 HydrophobicContact CG1-CD1 4.3Å; V62-L75 HydrophobicContact CG2-CD1 4.28Å; P63-L75 HydrophobicContact CG-CD2 4.2Å; L73-L75 HydrophobicContact CD1-CD2 4.42Å; L73-L75 HydrophobicContact CD1-CG 4.21Å; L73-L75 HydrophobicContact CD2-CD1 4.07Å; L73-L75 HydrophobicContact CG-CD1 4.17Å; L73-L75 HydrophobicContact CG-CG 4.12Å; L75-N78 VanDerWaalsContact C-ND2 3.27Å; L75-N78 PolarHBondContact O-ND2 3.48Å; L75-I80 HydrophobicContact CB-CD1 4.28Å; L75-I80 HydrophobicContact CD2-CD1 4.49Å; L75-F88 HydrophobicContact CD1-CE1 4.15Å; L75-F88 HydrophobicContact CD1-CZ 4.24Å; L75-L97 HydrophobicContact CD1-CD1 4.38Å; L75-R98 WeakPolarHBondContact CA-O 3.45Å; L75-R98 WeakPolarHBondContact CB-O 3.49Å; L75-R98 PolarHBondContact N-O 3.35Å; L75-I99 HydrophobicContact CB-CG2 4.12Å; L75-I99 HydrophobicContact CD1-CG1 4.36Å; L75-N102 PolarHBondContact O-ND2 3.3Å
76	S	95.7	Very high	90.7	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.063	25%	0.248	C	C	.	.			trans	-72.4	159.1	-172.3	-56.3	0	0	0	0	113.8	S55 E56 D74 N78 R98 S100	S55-S76 VanDerWaalsContact CA-O 3.25Å; S55-S76 WeakPolarHBondContact CA-O 3.27Å; E56-S76 PolarHBondContact N-O 2.81Å; D74-S76 WeakPolarHBondContact OD1-CB 3.24Å; D74-S76 PolarHBondContact OD1-N 2.8Å; D74-S76 PolarHBondContact OD1-OG 2.8Å; S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.35Å; S76-N78 PolarHBondContact O-ND2 3.07Å; S76-N78 VanDerWaalsContact O-ND2 3.11Å; S76-R98 WeakPolarHBondContact OG-CB 3.44Å; S76-S100 CarbonylContact C-O 3.53Å; S76-S100 WeakPolarHBondContact CA-O 3.46Å; S76-S100 WeakPolarHBondContact CB-O 3.46Å; S76-S100 WeakPolarHBondContact CB-OG 3.46Å; S76-S100 PolarHBondContact OG-N 3.13Å; S76-S100 PolarHBondContact OG-OG 2.87Å
77	M	95.3	Very high	90.6	Very high	105 Å²	105	49.3 Å²	49.3	52%	0.517	26%	0.257	S	S	.	.	S	Bend	trans	57	39.3	179	-56.5	-59	-69.3	0	0	113.2	E56 S100 G101	E56-M77 WeakPolarHBondContact CA-O 3.02Å; E56-M77 HydrophobicContact CG-CB 3.66Å; E56-M77 HydrophobicContact CG-CG 4.27Å; M77-S100 PolarHBondContact N-O 2.93Å; M77-G101 VanDerWaalsContact CA-O 3.27Å; M77-G101 WeakPolarHBondContact CA-O 3.22Å; M77-G101 PolarHBondContact N-O 3.1Å
78	N	95.2	Very high	90.6	Very high	11 Å²	11	48.8 Å²	48.8	6%	0.059	25%	0.253	C	S	.	.	S	Bend	trans	-113.6	179.4	178.8	-80.7	-69.1	0	0	0	111.2	C54 M57 G58 L59 L75 S76 I80 G101 N102	C54-N78 PolarHBondContact O-ND2 2.97Å; M57-N78 PolarHBondContact N-OD1 3.11Å; G58-N78 PolarHBondContact N-OD1 3.35Å; L59-N78 HydrophobicContact CB-CB 4.25Å; L59-N78 WeakPolarHBondContact CB-OD1 3.43Å; L59-N78 PolarHBondContact N-OD1 2.64Å; L75-N78 VanDerWaalsContact C-ND2 3.27Å; L75-N78 PolarHBondContact O-ND2 3.48Å; S76-N78 VanDerWaalsContact C-N 3.28Å; S76-N78 PolarHBondContact O-N 3.35Å; S76-N78 PolarHBondContact O-ND2 3.07Å; S76-N78 VanDerWaalsContact O-ND2 3.11Å; N78-I80 HydrophobicContact CB-CD1 4.41Å; N78-I80 HydrophobicContact CB-CG1 4.15Å; N78-G101 PolarHBondContact N-O 3.39Å; N78-N102 VanDerWaalsContact CB-OD1 3.27Å; N78-N102 WeakPolarHBondContact CB-OD1 3.25Å; N78-N102 PolarHBondContact O-OD1 3.38Å
79	N	94.9	Very high	90.4	Very high	73 Å²	73	49.3 Å²	49.3	39%	0.39	25%	0.25	S	C	.	.			trans	-106.1	33.6	-179.1	-156.7	104	0	0	0	111.6	L59 Q103	L59-N79 CarbonylContact O-C 3.26Å; L59-N79 VanDerWaalsContact O-CA 3.29Å; L59-N79 WeakPolarHBondContact O-CA 3.47Å; L59-N79 PolarHBondContact O-N 2.87Å; N79-Q103 PolarHBondContact ND2-OE1 2.84Å; N79-Q103 PolarHBondContact OD1-NE2 2.8Å
80	I	94.1	Very high	90.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.			trans	-77.1	125.6	-179.3	-51.9	174	0	0	0	109.2	L59 L75 N78 I99 N102 Q103 L104	L59-I80 WeakPolarHBondContact O-CG1 3.41Å; L59-I80 PolarHBondContact O-N 2.95Å; L75-I80 HydrophobicContact CB-CD1 4.28Å; L75-I80 HydrophobicContact CD2-CD1 4.49Å; N78-I80 HydrophobicContact CB-CD1 4.41Å; N78-I80 HydrophobicContact CB-CG1 4.15Å; I80-I99 HydrophobicContact CD1-CG2 4.43Å; I80-N102 VanDerWaalsContact CB-OD1 3.23Å; I80-N102 WeakPolarHBondContact CB-OD1 3.42Å; I80-N102 WeakPolarHBondContact CG1-OD1 3.33Å; I80-N102 PolarHBondContact N-OD1 3.46Å; I80-Q103 CarbonylContact O-C 3.56Å; I80-Q103 WeakPolarHBondContact O-CA 3.27Å; I80-Q103 PolarHBondContact O-N 2.89Å; I80-L104 HydrophobicContact CB-CD2 4.47Å; I80-L104 HydrophobicContact CG2-CD2 3.94Å; I80-L104 PolarHBondContact O-N 3.03Å
81	S	91.6	Very high	90.1	Very high	71 Å²	71	52.3 Å²	52.3	50%	0.497	26%	0.259	S	S	.	.			trans	-108.7	-23.9	-178.6	55.9	0	0	0	0	114.5
82	E	89.9	Confident	89.9	Confident	118 Å²	118	55.4 Å²	55.4	55%	0.551	27%	0.271	S	S	*	.			trans	-143.3	137.4	176.8	-177.9	179.2	-134.7	0	0	110.5	Q84	E82-Q84 PolarHBondContact OE2-NE2 3.33Å
83	I	89.7	Confident	89.7	Confident	10 Å²	10	56.3 Å²	56.3	5%	0.051	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-97.9	116.6	169.2	-54.7	176.3	0	0	0	108.2	V62 A87 F88 I99 L104 I107 A111	V62-I83 HydrophobicContact CG2-CG2 4.4Å; I83-A87 HydrophobicContact CG2-CB 3.82Å; I83-F88 HydrophobicContact CD1-CE2 4.46Å; I83-F88 HydrophobicContact CG2-CE2 3.78Å; I83-F88 HydrophobicContact CG2-CZ 4.34Å; I83-I99 HydrophobicContact CD1-CD1 3.57Å; I83-L104 HydrophobicContact CD1-CD1 3.93Å; I83-L104 HydrophobicContact CD1-CD2 4.4Å; I83-L104 HydrophobicContact CG1-CD1 4.32Å; I83-L104 HydrophobicContact CG1-CD2 3.87Å; I83-I107 HydrophobicContact CD1-CD1 4.44Å; I83-I107 HydrophobicContact CD1-CG1 4.44Å; I83-A111 HydrophobicContact CB-CB 4.2Å; I83-A111 HydrophobicContact CG2-CB 3.91Å
84	Q	84.8	Confident	89.6	Confident	109 Å²	109	56.3 Å²	56.3	51%	0.509	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-62.1	143.2	179.6	-66.8	-60	-48	0	0	111.7	E82 R86 A87	E82-Q84 PolarHBondContact OE2-NE2 3.33Å; Q84-R86 PolarHBondContact O-N 3.11Å; Q84-A87 WeakPolarHBondContact O-CB 3.29Å; Q84-A87 PolarHBondContact O-N 3.33Å
85	P	80.6	Confident	89.3	Confident	84 Å²	84	57.8 Å²	57.8	55%	0.545	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	134.8	176.6	-26.8	34.9	0	0	0	111.7	A87	P85-A87 VanDerWaalsContact C-N 3.26Å; P85-A87 PolarHBondContact O-N 3.15Å
86	R	79.4	Confident	89.2	Confident	149 Å²	149	59.7 Å²	59.7	56%	0.562	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	23.7	-176.2	-61.8	179.6	177.4	149.1	2.3	115.5	Q84 F88 H89 N110	Q84-R86 PolarHBondContact O-N 3.11Å; R86-F88 PolarHBondContact O-N 2.81Å; R86-F88 VanDerWaalsContact O-N 3.12Å; R86-H89 HydrophobicContact CB-CB 4Å; R86-H89 WeakPolarHBondContact O-CB 3.33Å; R86-H89 PolarHBondContact O-N 2.93Å; R86-H89 PolarHBondContact O-ND1 2.91Å; R86-N110 PolarHBondContact N-O 2.91Å
87	A	83.9	Confident	89.1	Confident	38 Å²	38	59.2 Å²	59.2	31%	0.314	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-40.9	175.3	0	0	0	0	0	112.9	I83 Q84 P85	I83-A87 HydrophobicContact CG2-CB 3.82Å; Q84-A87 WeakPolarHBondContact O-CB 3.29Å; Q84-A87 PolarHBondContact O-N 3.33Å; P85-A87 VanDerWaalsContact C-N 3.26Å; P85-A87 PolarHBondContact O-N 3.15Å
88	F	87.9	Confident	89.1	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	12	-173.7	-50.7	-70.6	0	0	0	115.4	V62 L73 L75 I83 R86 R90 L91 L97 I99 L112 L115	V62-F88 HydrophobicContact CG1-CD1 4.37Å; V62-F88 HydrophobicContact CG1-CE1 3.65Å; V62-F88 HydrophobicContact CG1-CZ 4.21Å; V62-F88 HydrophobicContact CG2-CE1 4.2Å; V62-F88 HydrophobicContact CG2-CZ 3.89Å; L73-F88 HydrophobicContact CD2-CD1 4.26Å; L73-F88 HydrophobicContact CD2-CE1 3.92Å; L75-F88 HydrophobicContact CD1-CE1 4.15Å; L75-F88 HydrophobicContact CD1-CZ 4.24Å; I83-F88 HydrophobicContact CD1-CE2 4.46Å; I83-F88 HydrophobicContact CG2-CE2 3.78Å; I83-F88 HydrophobicContact CG2-CZ 4.34Å; R86-F88 PolarHBondContact O-N 2.81Å; R86-F88 VanDerWaalsContact O-N 3.12Å; F88-R90 PolarHBondContact O-N 2.86Å; F88-L91 HydrophobicContact CB-CD1 4.25Å; F88-L91 HydrophobicContact CD1-CD1 3.9Å; F88-L91 PolarHBondContact O-N 2.95Å; F88-L97 HydrophobicContact CD2-CD2 4.33Å; F88-L97 HydrophobicContact CE1-CD1 4.24Å; F88-L97 HydrophobicContact CE1-CD2 4.49Å; F88-L97 HydrophobicContact CE2-CD2 4.07Å; F88-L97 HydrophobicContact CZ-CD1 4.3Å; F88-L97 HydrophobicContact CZ-CD2 4.15Å; F88-I99 HydrophobicContact CE2-CD1 4.33Å; F88-I99 HydrophobicContact CZ-CD1 3.99Å; F88-L112 HydrophobicContact CD2-CD2 3.71Å; F88-L112 HydrophobicContact CE2-CD2 3.64Å; F88-L115 HydrophobicContact CB-CD1 3.97Å; F88-L115 HydrophobicContact CB-CD2 3.7Å; F88-L115 HydrophobicContact CB-CG 3.89Å; F88-L115 HydrophobicContact CD2-CD1 4.17Å; F88-L115 HydrophobicContact CG-CD1 4.22Å
89	H	84.9	Confident	89	Confident	78 Å²	78	57.1 Å²	57.1	36%	0.361	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-6.2	-166.5	72.2	-83.2	0	0	0	117.9	R86 H92 Q113	R86-H89 HydrophobicContact CB-CB 4Å; R86-H89 WeakPolarHBondContact O-CB 3.33Å; R86-H89 PolarHBondContact O-N 2.93Å; R86-H89 PolarHBondContact O-ND1 2.91Å; H89-H92 PolarHBondContact O-CE1 2.99Å; H89-Q113 WeakPolarHBondContact CA-O 3.49Å
90	R	85.6	Confident	89	Confident	159 Å²	159	54.4 Å²	54.4	60%	0.6	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-11	178.5	-54.1	-174	-176	-179.1	0.4	113.3	F88 H92	F88-R90 PolarHBondContact O-N 2.86Å; R90-H92 PolarHBondContact O-N 3.05Å
91	L	88.9	Confident	88.9	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	28%	0.276	C	S	.	.			trans	-88.9	52.9	-169.9	-49.1	-176	0	0	0	110.7	L66 S67 L73 F88 L93 L94 L115	L66-L91 HydrophobicContact CB-CD1 4.45Å; L66-L91 HydrophobicContact CB-CD2 4.01Å; L66-L91 HydrophobicContact CD1-CD1 4.19Å; S67-L91 WeakPolarHBondContact O-CD2 3.41Å; L73-L91 HydrophobicContact CD2-CD1 4.17Å; F88-L91 HydrophobicContact CB-CD1 4.25Å; F88-L91 HydrophobicContact CD1-CD1 3.9Å; F88-L91 PolarHBondContact O-N 2.95Å; L91-L93 PolarHBondContact O-N 3.24Å; L91-L93 VanDerWaalsContact O-N 3.11Å; L91-L94 HydrophobicContact CB-CB 4.02Å; L91-L94 HydrophobicContact CD1-CD2 4.36Å; L91-L94 VanDerWaalsContact O-CB 3.27Å; L91-L94 WeakPolarHBondContact O-CB 3.23Å; L91-L94 PolarHBondContact O-N 3.33Å; L91-L115 HydrophobicContact CB-CD2 3.93Å; L91-L115 WeakPolarHBondContact O-CD2 3.46Å
92	H	88.1	Confident	89.1	Confident	89 Å²	89	52.2 Å²	52.2	41%	0.412	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.5	-174.6	-54.5	-50.5	0	0	0	113.6	H89 R90 G114 H116 N117	H89-H92 PolarHBondContact O-CE1 2.99Å; R90-H92 PolarHBondContact O-N 3.05Å; H92-G114 PolarHBondContact ND1-O 3.37Å; H92-H116 AromaticContact ND1-CD2 3.8Å; H92-N117 WeakPolarHBondContact O-CB 3.19Å; H92-N117 PolarHBondContact O-ND2 3.4Å
93	L	89.7	Confident	89.3	Confident	64 Å²	64	50.1 Å²	50.1	34%	0.335	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-3.3	177.4	-64.3	175.2	0	0	0	113.5	F49 F69 T70 T71 L91 S95	F49-L93 HydrophobicContact CE1-CD1 4.43Å; F69-L93 HydrophobicContact CD1-CD1 4.09Å; T70-L93 CarbonylContact O-C 3.29Å; T71-L93 HydrophobicContact CG2-CB 4.48Å; L91-L93 PolarHBondContact O-N 3.24Å; L91-L93 VanDerWaalsContact O-N 3.11Å; L93-S95 PolarHBondContact O-N 2.82Å
94	L	91.1	Very high	89.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.			trans	-63.1	128.6	-179.7	-166	71.7	0	0	0	110.6	T70 L73 L91 L97 L115 N117 L118	T70-L94 HydrophobicContact CG2-CD1 3.9Å; T70-L94 WeakPolarHBondContact O-CA 3.42Å; T70-L94 PolarHBondContact O-N 3.06Å; L73-L94 HydrophobicContact CB-CD1 3.72Å; L73-L94 HydrophobicContact CB-CD2 4.5Å; L91-L94 HydrophobicContact CB-CB 4.02Å; L91-L94 HydrophobicContact CD1-CD2 4.36Å; L91-L94 VanDerWaalsContact O-CB 3.27Å; L91-L94 WeakPolarHBondContact O-CB 3.23Å; L91-L94 PolarHBondContact O-N 3.33Å; L94-L97 HydrophobicContact CD2-CB 3.93Å; L94-L97 HydrophobicContact CD2-CD1 4.23Å; L94-L97 HydrophobicContact CD2-CD2 4.19Å; L94-L97 HydrophobicContact CD2-CG 4.34Å; L94-L115 HydrophobicContact CB-CD2 3.94Å; L94-L115 HydrophobicContact CD2-CD1 4.38Å; L94-L115 HydrophobicContact CD2-CD2 3.63Å; L94-L115 HydrophobicContact CG-CD2 4.42Å; L94-N117 CarbonylContact O-C 3.57Å; L94-L118 HydrophobicContact CD2-CD1 4.27Å; L94-L118 HydrophobicContact CG-CD1 4.25Å; L94-L118 VanDerWaalsContact O-CA 3.24Å; L94-L118 WeakPolarHBondContact O-CA 3.4Å; L94-L118 PolarHBondContact O-N 3Å
95	S	90.3	Very high	89.7	Confident	42 Å²	42	51.3 Å²	51.3	29%	0.294	24%	0.244	S	C	.	.			trans	-115.8	-29.1	-174.2	73.8	0	0	0	0	112.8	T71 L93 R119 V120	T71-S95 PolarHBondContact O-N 2.87Å; T71-S95 PolarHBondContact O-OG 2.81Å; L93-S95 PolarHBondContact O-N 2.82Å; S95-R119 PolarHBondContact O-N 3.08Å; S95-V120 PolarHBondContact O-N 3.15Å; S95-V120 VanDerWaalsContact O-N 3.13Å
96	E	92.3	Very high	90.1	Very high	40 Å²	40	50.2 Å²	50.2	19%	0.187	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	132.7	173.7	179.1	164.2	177.8	0	0	110.1	T71 Y72 L73 R98 V120 M122	T71-E96 PolarHBondContact O-N 3.13Å; Y72-E96 HydrophobicContact CD2-CB 4Å; Y72-E96 HydrophobicContact CD2-CG 4.01Å; Y72-E96 HydrophobicContact CE2-CG 4.09Å; L73-E96 PolarHBondContact N-O 2.8Å; L73-E96 VanDerWaalsContact N-O 3.1Å; E96-R98 HydrophobicContact CG-CG 4.32Å; E96-R98 IonicContact OE1-CZ 3.19Å; E96-R98 IonicContact OE1-NE 2.74Å; E96-R98 PolarHBondContact OE1-NE 3.2Å; E96-R98 IonicContact OE1-NH2 2.78Å; E96-R98 PolarHBondContact OE1-NH2 3.16Å; E96-V120 WeakPolarHBondContact CA-O 3.22Å; E96-V120 HydrophobicContact CB-CB 4.17Å; E96-V120 HydrophobicContact CG-CB 3.91Å; E96-V120 HydrophobicContact CG-CG1 3.88Å; E96-M122 WeakPolarHBondContact OE1-CE 3.16Å
97	L	93	Very high	90.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.3	179.1	177.4	54.5	0	0	0	109.3	L73 L75 F88 L94 I99 L112 L115 L118 V120 L121 M122	L73-L97 HydrophobicContact CB-CD1 4.11Å; L73-L97 HydrophobicContact CD2-CD1 3.95Å; L73-L97 HydrophobicContact CG-CD1 4.02Å; L75-L97 HydrophobicContact CD1-CD1 4.38Å; F88-L97 HydrophobicContact CD2-CD2 4.33Å; F88-L97 HydrophobicContact CE1-CD1 4.24Å; F88-L97 HydrophobicContact CE1-CD2 4.49Å; F88-L97 HydrophobicContact CE2-CD2 4.07Å; F88-L97 HydrophobicContact CZ-CD1 4.3Å; F88-L97 HydrophobicContact CZ-CD2 4.15Å; L94-L97 HydrophobicContact CD2-CB 3.93Å; L94-L97 HydrophobicContact CD2-CD1 4.23Å; L94-L97 HydrophobicContact CD2-CD2 4.19Å; L94-L97 HydrophobicContact CD2-CG 4.34Å; L97-I99 HydrophobicContact CD1-CD1 4.17Å; L97-I99 HydrophobicContact CD1-CG1 3.99Å; L97-I99 HydrophobicContact CD2-CD1 4.21Å; L97-I99 HydrophobicContact CG-CD1 4.12Å; L97-I99 HydrophobicContact CG-CG1 4.06Å; L97-L112 HydrophobicContact CD2-CD2 4.18Å; L97-L115 HydrophobicContact CD2-CD1 3.76Å; L97-L118 HydrophobicContact CB-CD1 3.67Å; L97-V120 PolarHBondContact N-O 3.35Å; L97-L121 HydrophobicContact CB-CD1 4.28Å; L97-L121 HydrophobicContact CD2-CD1 4.17Å; L97-L121 HydrophobicContact CG-CD1 4.2Å; L97-M122 PolarHBondContact O-N 2.79Å
98	R	94.6	Very high	90.4	Very high	72 Å²	72	42.9 Å²	42.9	27%	0.272	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.1	177.1	-54.1	178	176.7	170.6	8	110.7	Y72 L73 D74 L75 S76 E96 M122	Y72-R98 PolarHBondContact OH-NH1 2.75Å; L73-R98 PolarHBondContact O-N 3.12Å; D74-R98 WeakPolarHBondContact OD1-CB 3.17Å; D74-R98 WeakPolarHBondContact OD2-CD 3.38Å; D74-R98 IonicContact OD2-NH1 3.39Å; D74-R98 PolarHBondContact OD2-NH1 3.16Å; L75-R98 WeakPolarHBondContact CA-O 3.45Å; L75-R98 WeakPolarHBondContact CB-O 3.49Å; L75-R98 PolarHBondContact N-O 3.35Å; S76-R98 WeakPolarHBondContact OG-CB 3.44Å; E96-R98 HydrophobicContact CG-CG 4.32Å; E96-R98 IonicContact OE1-CZ 3.19Å; E96-R98 IonicContact OE1-NE 2.74Å; E96-R98 PolarHBondContact OE1-NE 3.2Å; E96-R98 IonicContact OE1-NH2 2.78Å; E96-R98 PolarHBondContact OE1-NH2 3.16Å; R98-M122 HydrophobicContact CB-CB 4.18Å; R98-M122 HydrophobicContact CG-CB 4.01Å; R98-M122 HydrophobicContact CG-CG 4.21Å; R98-M122 HydrophobicContact CG-SD 4.03Å
99	I	93.4	Very high	89.9	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.199	C	C	.	.			trans	-139.7	34.4	176.8	-31	178.4	0	0	0	109.2	L75 I80 I83 F88 L97 N102 L104 M122 L123 N126	L75-I99 HydrophobicContact CB-CG2 4.12Å; L75-I99 HydrophobicContact CD1-CG1 4.36Å; I80-I99 HydrophobicContact CD1-CG2 4.43Å; I83-I99 HydrophobicContact CD1-CD1 3.57Å; F88-I99 HydrophobicContact CE2-CD1 4.33Å; F88-I99 HydrophobicContact CZ-CD1 3.99Å; L97-I99 HydrophobicContact CD1-CD1 4.17Å; L97-I99 HydrophobicContact CD1-CG1 3.99Å; L97-I99 HydrophobicContact CD2-CD1 4.21Å; L97-I99 HydrophobicContact CG-CD1 4.12Å; L97-I99 HydrophobicContact CG-CG1 4.06Å; I99-N102 PolarHBondContact O-ND2 2.72Å; I99-L104 HydrophobicContact CB-CD1 4.46Å; I99-L104 HydrophobicContact CG2-CD1 4.01Å; I99-M122 PolarHBondContact N-O 3.06Å; I99-L123 HydrophobicContact CB-CD2 4.06Å; I99-L123 HydrophobicContact CD1-CD2 4.21Å; I99-L123 HydrophobicContact CG1-CD2 4.25Å; I99-N126 PolarHBondContact O-ND2 2.78Å
100	S	94.5	Very high	89.7	Confident	16 Å²	16	42.3 Å²	42.3	11%	0.112	20%	0.197	C	C	.	.			trans	-75.9	159.4	-179.8	52.7	0	0	0	0	112.8	S76 M77 N102 Q124	S76-S100 CarbonylContact C-O 3.53Å; S76-S100 WeakPolarHBondContact CA-O 3.46Å; S76-S100 WeakPolarHBondContact CB-O 3.46Å; S76-S100 WeakPolarHBondContact CB-OG 3.46Å; S76-S100 PolarHBondContact OG-N 3.13Å; S76-S100 PolarHBondContact OG-OG 2.87Å; M77-S100 PolarHBondContact N-O 2.93Å; S100-N102 PolarHBondContact O-N 2.74Å; S100-N102 PolarHBondContact O-ND2 2.91Å; S100-Q124 CarbonylContact C-O 3.14Å; S100-Q124 WeakPolarHBondContact CA-O 3.28Å; S100-Q124 VanDerWaalsContact CB-CD 3.43Å; S100-Q124 WeakPolarHBondContact CB-O 3.4Å; S100-Q124 PolarHBondContact OG-NE2 3.39Å
101	G	93.1	Very high	89.6	Confident	16 Å²	16	34.7 Å²	34.7	17%	0.165	17%	0.169	C	C	.	.	S	Bend	trans	62.4	42.8	178.9	0	0	0	0	0	113.1	M77 N78 Q124 N125	M77-G101 VanDerWaalsContact CA-O 3.27Å; M77-G101 WeakPolarHBondContact CA-O 3.22Å; M77-G101 PolarHBondContact N-O 3.1Å; N78-G101 PolarHBondContact N-O 3.39Å; G101-Q124 PolarHBondContact N-O 2.95Å; G101-N125 CarbonylContact C-O 3.1Å; G101-N125 WeakPolarHBondContact CA-O 3.44Å; G101-N125 PolarHBondContact N-O 3.13Å
102	N	94.8	Very high	89.4	Confident	9 Å²	9	34.6 Å²	34.6	5%	0.048	17%	0.168	C	C	.	.	S	Bend	trans	-123.6	-174.2	-178.2	-88.3	-92.8	0	0	0	110.5	L75 N78 I80 I99 S100 L104 N125 N126	L75-N102 PolarHBondContact O-ND2 3.3Å; N78-N102 VanDerWaalsContact CB-OD1 3.27Å; N78-N102 WeakPolarHBondContact CB-OD1 3.25Å; N78-N102 PolarHBondContact O-OD1 3.38Å; I80-N102 VanDerWaalsContact CB-OD1 3.23Å; I80-N102 WeakPolarHBondContact CB-OD1 3.42Å; I80-N102 WeakPolarHBondContact CG1-OD1 3.33Å; I80-N102 PolarHBondContact N-OD1 3.46Å; I99-N102 PolarHBondContact O-ND2 2.72Å; S100-N102 PolarHBondContact O-N 2.74Å; S100-N102 PolarHBondContact O-ND2 2.91Å; N102-L104 HydrophobicContact CB-CG 4.33Å; N102-N125 PolarHBondContact N-O 3.03Å; N102-N126 WeakPolarHBondContact CA-OD1 3.48Å; N102-N126 WeakPolarHBondContact CB-OD1 3.11Å; N102-N126 PolarHBondContact O-OD1 3.15Å
103	Q	94.6	Very high	89.1	Confident	73 Å²	73	32.9 Å²	32.9	34%	0.341	16%	0.16	S	C	.	.			trans	-110.6	26	-176.5	-65.3	175.1	13.2	0	0	112.3	N79 I80 R105	N79-Q103 PolarHBondContact ND2-OE1 2.84Å; N79-Q103 PolarHBondContact OD1-NE2 2.8Å; I80-Q103 CarbonylContact O-C 3.56Å; I80-Q103 WeakPolarHBondContact O-CA 3.27Å; I80-Q103 PolarHBondContact O-N 2.89Å; Q103-R105 PolarHBondContact O-N 3.49Å
104	L	92.5	Very high	88.7	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.			trans	-68.3	123.5	-178.7	-57.6	176.8	0	0	0	110.4	I80 I83 I99 N102 I107 L123 N126 Q127 L128	I80-L104 HydrophobicContact CB-CD2 4.47Å; I80-L104 HydrophobicContact CG2-CD2 3.94Å; I80-L104 PolarHBondContact O-N 3.03Å; I83-L104 HydrophobicContact CD1-CD1 3.93Å; I83-L104 HydrophobicContact CD1-CD2 4.4Å; I83-L104 HydrophobicContact CG1-CD1 4.32Å; I83-L104 HydrophobicContact CG1-CD2 3.87Å; I99-L104 HydrophobicContact CB-CD1 4.46Å; I99-L104 HydrophobicContact CG2-CD1 4.01Å; N102-L104 HydrophobicContact CB-CG 4.33Å; L104-I107 HydrophobicContact CD1-CD1 4.06Å; L104-I107 HydrophobicContact CD1-CG1 4.41Å; L104-L123 HydrophobicContact CD1-CD2 4.49Å; L104-N126 HydrophobicContact CB-CB 4.43Å; L104-N126 VanDerWaalsContact CB-OD1 3.3Å; L104-N126 WeakPolarHBondContact CB-OD1 3.48Å; L104-N126 WeakPolarHBondContact CG-OD1 3.4Å; L104-N126 PolarHBondContact N-OD1 3.24Å; L104-N126 VanDerWaalsContact N-OD1 3.12Å; L104-Q127 CarbonylContact O-C 3.15Å; L104-Q127 VanDerWaalsContact O-CA 3.31Å; L104-Q127 WeakPolarHBondContact O-CA 3.45Å; L104-Q127 PolarHBondContact O-N 2.96Å; L104-L128 HydrophobicContact CB-CD2 4.01Å; L104-L128 WeakPolarHBondContact O-CD2 3.39Å; L104-L128 PolarHBondContact O-N 2.93Å
105	R	91	Very high	88.5	Confident	145 Å²	145	30.1 Å²	30.1	55%	0.547	15%	0.147	S	C	.	.			trans	-101.4	-23.6	174.3	-64.8	-173.1	-173.6	179	2.4	114.5	Q103 Q127 E129	Q103-R105 PolarHBondContact O-N 3.49Å; R105-Q127 WeakPolarHBondContact CA-O 3.08Å; R105-Q127 HydrophobicContact CG-CB 3.78Å; R105-Q127 VanDerWaalsContact NE-OE1 3.14Å; R105-E129 PolarHBondContact O-N 2.88Å
106	Y	88.3	Confident	88.1	Confident	61 Å²	61	31.6 Å²	31.6	24%	0.239	15%	0.149	C	C	.	.			trans	-153.4	147.6	-179.6	-177.7	-108.4	0	0	0	109.9	R130 P132 D134	Y106-R130 HydrophobicContact CD2-CG 3.87Å; Y106-R130 HydrophobicContact CE2-CG 4.17Å; Y106-R130 VanDerWaalsContact CZ-NH2 3.3Å; Y106-R130 PolarHBondContact OH-NH2 2.98Å; Y106-P132 HydrophobicContact CE2-CB 4.31Å; Y106-D134 PolarHBondContact OH-OD1 2.93Å; Y106-D134 PolarHBondContact OH-OD2 3.12Å
107	I	87	Confident	87.9	Confident	8 Å²	8	33.2 Å²	33.2	4%	0.041	16%	0.159	C	C	.	.			trans	-133.3	115.2	173.3	-58.8	170.8	0	0	0	106.5	I83 L104 A111 L123 L128 P132 W137	I83-I107 HydrophobicContact CD1-CD1 4.44Å; I83-I107 HydrophobicContact CD1-CG1 4.44Å; L104-I107 HydrophobicContact CD1-CD1 4.06Å; L104-I107 HydrophobicContact CD1-CG1 4.41Å; I107-A111 HydrophobicContact CG2-CB 4.01Å; I107-L123 HydrophobicContact CD1-CD1 3.67Å; I107-L123 HydrophobicContact CD1-CD2 3.9Å; I107-L123 HydrophobicContact CD1-CG 4.38Å; I107-L128 HydrophobicContact CD1-CD1 4.39Å; I107-L128 HydrophobicContact CD1-CD2 4.1Å; I107-L128 HydrophobicContact CG1-CD2 4.02Å; I107-P132 WeakPolarHBondContact O-CB 3.1Å; I107-P132 WeakPolarHBondContact O-CD 3.29Å; I107-P132 VanDerWaalsContact O-CG 3.29Å; I107-P132 WeakPolarHBondContact O-CG 3.35Å; I107-W137 HydrophobicContact CB-CH2 4.5Å; I107-W137 HydrophobicContact CG2-CH2 4.08Å; I107-W137 HydrophobicContact CG2-CZ3 4.11Å
108	S	83.4	Confident	87.7	Confident	25 Å²	25	33.3 Å²	33.3	18%	0.175	16%	0.16	C	C	.	.			trans	-69.8	144.6	171.9	-178.8	0	0	0	0	110	N110 A111 D134	S108-N110 PolarHBondContact O-N 3.49Å; S108-A111 VanDerWaalsContact O-CB 3.25Å; S108-A111 WeakPolarHBondContact O-CB 3.27Å; S108-A111 PolarHBondContact O-N 2.92Å; S108-D134 VanDerWaalsContact CB-OD2 3.26Å; S108-D134 WeakPolarHBondContact CB-OD2 3.46Å; S108-D134 PolarHBondContact OG-OD1 3.45Å; S108-D134 PolarHBondContact OG-OD2 3.22Å
109	G	76.3	Confident	87.3	Confident	2 Å²	2	36.9 Å²	36.9	2%	0.021	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-55.6	-27.4	177.2	0	0	0	0	0	113.5	A111 D134	G109-A111 VanDerWaalsContact C-N 3.3Å; G109-A111 PolarHBondContact O-N 2.91Å; G109-D134 PolarHBondContact N-OD1 3.37Å
110	N	81.1	Confident	87.2	Confident	63 Å²	63	37.9 Å²	37.9	34%	0.337	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-75.3	-8.5	177	-63.9	-71.7	0	0	0	114.9	R86 S108 A135	R86-N110 PolarHBondContact N-O 2.91Å; S108-N110 PolarHBondContact O-N 3.49Å; N110-A135 WeakPolarHBondContact ND2-CB 3.39Å
111	A	83.9	Confident	87	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-71	-38	178	0	0	0	0	0	112.1	I83 I107 S108 G109	I83-A111 HydrophobicContact CB-CB 4.2Å; I83-A111 HydrophobicContact CG2-CB 3.91Å; I107-A111 HydrophobicContact CG2-CB 4.01Å; S108-A111 VanDerWaalsContact O-CB 3.25Å; S108-A111 WeakPolarHBondContact O-CB 3.27Å; S108-A111 PolarHBondContact O-N 2.92Å; G109-A111 VanDerWaalsContact C-N 3.3Å; G109-A111 PolarHBondContact O-N 2.91Å
112	L	84.1	Confident	87	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.01	17%	0.173	C	C	.	.	S	Bend	trans	-94.4	8.2	-177.6	-56.4	-171.7	0	0	0	113.8	F88 L97 G114 L115 L121 W137 L139	F88-L112 HydrophobicContact CD2-CD2 3.71Å; F88-L112 HydrophobicContact CE2-CD2 3.64Å; L97-L112 HydrophobicContact CD2-CD2 4.18Å; L112-G114 PolarHBondContact O-N 3.39Å; L112-L115 HydrophobicContact CB-CD1 4.16Å; L112-L115 HydrophobicContact CD2-CD1 4.18Å; L112-L115 WeakPolarHBondContact O-CB 3.11Å; L112-L115 WeakPolarHBondContact O-CG 3.25Å; L112-L115 PolarHBondContact O-N 2.9Å; L112-L121 HydrophobicContact CD1-CD1 4.37Å; L112-L121 HydrophobicContact CD1-CD2 3.68Å; L112-W137 HydrophobicContact CD1-CE3 4.08Å; L112-W137 HydrophobicContact CD1-CZ3 3.64Å; L112-W137 HydrophobicContact CG-CZ3 4.05Å; L112-L139 HydrophobicContact CB-CD1 4.44Å; L112-L139 HydrophobicContact CB-CD2 4.34Å; L112-L139 HydrophobicContact CD1-CD1 4.09Å
113	Q	82.8	Confident	86.8	Confident	52 Å²	52	37.4 Å²	37.4	24%	0.243	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	132.9	-179.8	173.4	164.4	74	0	0	112.2	H89	H89-Q113 WeakPolarHBondContact CA-O 3.49Å
114	G	80.3	Confident	86.7	Confident	5 Å²	5	35.2 Å²	35.2	5%	0.052	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	-6.6	178.1	0	0	0	0	0	115.5	H92 L112 H116	H92-G114 PolarHBondContact ND1-O 3.37Å; L112-G114 PolarHBondContact O-N 3.39Å; G114-H116 PolarHBondContact O-CD2 3.03Å; G114-H116 PolarHBondContact O-N 3.16Å
115	L	86.9	Confident	86.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.185	C	C	.	.			trans	-80.6	53.5	-179	-68.2	-176.7	0	0	0	113	F88 L91 L94 L97 L112 N117 L118 L139	F88-L115 HydrophobicContact CB-CD1 3.97Å; F88-L115 HydrophobicContact CB-CD2 3.7Å; F88-L115 HydrophobicContact CB-CG 3.89Å; F88-L115 HydrophobicContact CD2-CD1 4.17Å; F88-L115 HydrophobicContact CG-CD1 4.22Å; L91-L115 HydrophobicContact CB-CD2 3.93Å; L91-L115 WeakPolarHBondContact O-CD2 3.46Å; L94-L115 HydrophobicContact CB-CD2 3.94Å; L94-L115 HydrophobicContact CD2-CD1 4.38Å; L94-L115 HydrophobicContact CD2-CD2 3.63Å; L94-L115 HydrophobicContact CG-CD2 4.42Å; L97-L115 HydrophobicContact CD2-CD1 3.76Å; L112-L115 HydrophobicContact CB-CD1 4.16Å; L112-L115 HydrophobicContact CD2-CD1 4.18Å; L112-L115 WeakPolarHBondContact O-CB 3.11Å; L112-L115 WeakPolarHBondContact O-CG 3.25Å; L112-L115 PolarHBondContact O-N 2.9Å; L115-N117 VanDerWaalsContact C-N 3.27Å; L115-N117 PolarHBondContact O-N 2.63Å; L115-N117 VanDerWaalsContact O-N 3.13Å; L115-L118 HydrophobicContact CB-CB 4.14Å; L115-L118 HydrophobicContact CB-CD2 4.47Å; L115-L118 HydrophobicContact CD1-CD2 4.11Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 2.85Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L115-L139 HydrophobicContact CB-CD2 3.74Å
116	H	83.4	Confident	86.8	Confident	74 Å²	74	33.3 Å²	33.3	34%	0.343	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.6	-166.2	-55.8	-53.7	0	0	0	115.8	H92 G114 D138 S141	H92-H116 AromaticContact ND1-CD2 3.8Å; G114-H116 PolarHBondContact O-CD2 3.03Å; G114-H116 PolarHBondContact O-N 3.16Å; H116-D138 IonicContact CE1-OD2 3.58Å; H116-S141 VanDerWaalsContact O-CB 3.22Å; H116-S141 WeakPolarHBondContact O-CB 3.4Å; H116-S141 PolarHBondContact O-OG 3.38Å
117	N	87.2	Confident	87.1	Confident	74 Å²	74	33.4 Å²	33.4	40%	0.396	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	3.3	177.7	-79.6	-56.8	0	0	0	114.3	H92 L94 L115 R119	H92-N117 WeakPolarHBondContact O-CB 3.19Å; H92-N117 PolarHBondContact O-ND2 3.4Å; L94-N117 CarbonylContact O-C 3.57Å; L115-N117 VanDerWaalsContact C-N 3.27Å; L115-N117 PolarHBondContact O-N 2.63Å; L115-N117 VanDerWaalsContact O-N 3.13Å; N117-R119 WeakPolarHBondContact O-CG 3.4Å; N117-R119 PolarHBondContact O-N 2.98Å
118	L	87.8	Confident	87.4	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.163	C	C	.	.			trans	-63.3	127.9	-174.2	-171.6	72.5	0	0	0	110.8	L94 L97 L115 V120 L121 L139 S141 L142	L94-L118 HydrophobicContact CD2-CD1 4.27Å; L94-L118 HydrophobicContact CG-CD1 4.25Å; L94-L118 VanDerWaalsContact O-CA 3.24Å; L94-L118 WeakPolarHBondContact O-CA 3.4Å; L94-L118 PolarHBondContact O-N 3Å; L97-L118 HydrophobicContact CB-CD1 3.67Å; L115-L118 HydrophobicContact CB-CB 4.14Å; L115-L118 HydrophobicContact CB-CD2 4.47Å; L115-L118 HydrophobicContact CD1-CD2 4.11Å; L115-L118 WeakPolarHBondContact O-CB 3.39Å; L115-L118 PolarHBondContact O-N 2.85Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L118-V120 WeakPolarHBondContact CD1-O 3.26Å; L118-L121 HydrophobicContact CD2-CB 4.21Å; L118-L121 HydrophobicContact CD2-CD1 4.41Å; L118-L139 HydrophobicContact CD2-CD2 4.18Å; L118-S141 CarbonylContact O-C 3.02Å; L118-L142 HydrophobicContact CD2-CD1 4.13Å; L118-L142 HydrophobicContact CG-CD1 4.11Å; L118-L142 WeakPolarHBondContact O-CA 3.37Å; L118-L142 PolarHBondContact O-N 3.23Å
119	R	87.9	Confident	87.7	Confident	147 Å²	147	37 Å²	37	56%	0.555	18%	0.178	S	C	*	.			trans	-111.7	-34.2	-179.1	-57.6	-177.1	-178.6	177.9	0.3	113	S95 N117 S144 L145	S95-R119 PolarHBondContact O-N 3.08Å; N117-R119 WeakPolarHBondContact O-CG 3.4Å; N117-R119 PolarHBondContact O-N 2.98Å; R119-S144 WeakPolarHBondContact O-CA 3.28Å; R119-S144 WeakPolarHBondContact O-CB 3.16Å; R119-S144 PolarHBondContact O-N 2.75Å; R119-L145 PolarHBondContact O-N 3.3Å; R119-L145 VanDerWaalsContact O-N 3.08Å
120	V	90.1	Very high	88.2	Confident	22 Å²	22	41.7 Å²	41.7	13%	0.133	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.2	-176.5	176.3	0	0	0	0	109.2	S95 E96 L97 L118 M122 L145	S95-V120 PolarHBondContact O-N 3.15Å; S95-V120 VanDerWaalsContact O-N 3.13Å; E96-V120 WeakPolarHBondContact CA-O 3.22Å; E96-V120 HydrophobicContact CB-CB 4.17Å; E96-V120 HydrophobicContact CG-CB 3.91Å; E96-V120 HydrophobicContact CG-CG1 3.88Å; L97-V120 PolarHBondContact N-O 3.35Å; L118-V120 WeakPolarHBondContact CD1-O 3.26Å; V120-M122 HydrophobicContact CG1-CE 3.74Å; V120-M122 HydrophobicContact CG1-CG 4.11Å; V120-L145 WeakPolarHBondContact CA-O 3.49Å; V120-L145 HydrophobicContact CG1-CB 4.31Å; V120-L145 HydrophobicContact CG1-CD2 4.33Å; V120-L145 HydrophobicContact CG2-CB 4.32Å
121	L	90.9	Very high	88.5	Confident	0 Å²	0	39 Å²	39	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	117.6	175.9	178.1	57.4	0	0	0	109.6	L97 L112 L118 L123 L142 L145 W146 R147	L97-L121 HydrophobicContact CB-CD1 4.28Å; L97-L121 HydrophobicContact CD2-CD1 4.17Å; L97-L121 HydrophobicContact CG-CD1 4.2Å; L112-L121 HydrophobicContact CD1-CD1 4.37Å; L112-L121 HydrophobicContact CD1-CD2 3.68Å; L118-L121 HydrophobicContact CD2-CB 4.21Å; L118-L121 HydrophobicContact CD2-CD1 4.41Å; L121-L123 HydrophobicContact CD1-CD1 4.38Å; L121-L123 HydrophobicContact CD1-CD2 4.16Å; L121-L123 HydrophobicContact CD1-CG 4.08Å; L121-L123 HydrophobicContact CD2-CD1 4.14Å; L121-L123 HydrophobicContact CG-CD1 4.13Å; L121-L123 HydrophobicContact CG-CG 4.1Å; L121-L142 HydrophobicContact CB-CD1 4.06Å; L121-L145 PolarHBondContact N-O 3.03Å; L121-W146 HydrophobicContact CD2-CG 4.49Å; L121-W146 WeakPolarHBondContact O-CA 3.33Å; L121-R147 PolarHBondContact O-N 3.21Å
122	M	92.9	Very high	88.4	Confident	29 Å²	29	39.3 Å²	39.3	14%	0.143	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.2	-178.8	-67.7	-163.1	-158.4	0	0	111.7	E96 L97 R98 I99 V120 Q124 L145 R147	E96-M122 WeakPolarHBondContact OE1-CE 3.16Å; L97-M122 PolarHBondContact O-N 2.79Å; R98-M122 HydrophobicContact CB-CB 4.18Å; R98-M122 HydrophobicContact CG-CB 4.01Å; R98-M122 HydrophobicContact CG-CG 4.21Å; R98-M122 HydrophobicContact CG-SD 4.03Å; I99-M122 PolarHBondContact N-O 3.06Å; V120-M122 HydrophobicContact CG1-CE 3.74Å; V120-M122 HydrophobicContact CG1-CG 4.11Å; M122-Q124 VanDerWaalsContact CB-OE1 3.27Å; M122-L145 HydrophobicContact CE-CD2 4.41Å; M122-R147 HydrophobicContact CG-CG 4.23Å
123	L	91.1	Very high	87.9	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	21%	0.209	C	C	.	.			trans	-124.3	13.6	-178.9	-60.2	172.5	0	0	0	113	I99 L104 I107 L121 N126 L128 R147 L148 N151	I99-L123 HydrophobicContact CB-CD2 4.06Å; I99-L123 HydrophobicContact CD1-CD2 4.21Å; I99-L123 HydrophobicContact CG1-CD2 4.25Å; L104-L123 HydrophobicContact CD1-CD2 4.49Å; I107-L123 HydrophobicContact CD1-CD1 3.67Å; I107-L123 HydrophobicContact CD1-CD2 3.9Å; I107-L123 HydrophobicContact CD1-CG 4.38Å; L121-L123 HydrophobicContact CD1-CD1 4.38Å; L121-L123 HydrophobicContact CD1-CD2 4.16Å; L121-L123 HydrophobicContact CD1-CG 4.08Å; L121-L123 HydrophobicContact CD2-CD1 4.14Å; L121-L123 HydrophobicContact CG-CD1 4.13Å; L121-L123 HydrophobicContact CG-CG 4.1Å; L123-N126 PolarHBondContact O-ND2 3.09Å; L123-L128 HydrophobicContact CB-CD1 4.4Å; L123-R147 WeakPolarHBondContact CB-O 3.42Å; L123-R147 PolarHBondContact N-O 3.18Å; L123-R147 VanDerWaalsContact N-O 3.13Å; L123-L148 HydrophobicContact CB-CD2 4.29Å; L123-L148 HydrophobicContact CD1-CD2 3.99Å; L123-N151 PolarHBondContact O-ND2 2.95Å
124	Q	92	Very high	87.4	Confident	27 Å²	27	45.8 Å²	45.8	13%	0.126	22%	0.219	C	C	.	.			trans	-66.5	158.5	-176.3	70.7	-77.4	4.3	0	0	113.9	S100 G101 M122 N126 R147 D149	S100-Q124 CarbonylContact C-O 3.14Å; S100-Q124 WeakPolarHBondContact CA-O 3.28Å; S100-Q124 VanDerWaalsContact CB-CD 3.43Å; S100-Q124 WeakPolarHBondContact CB-O 3.4Å; S100-Q124 PolarHBondContact OG-NE2 3.39Å; G101-Q124 PolarHBondContact N-O 2.95Å; M122-Q124 VanDerWaalsContact CB-OE1 3.27Å; Q124-N126 PolarHBondContact O-ND2 3.25Å; Q124-R147 HydrophobicContact CB-CB 4.32Å; Q124-R147 VanDerWaalsContact OE1-CB 3.29Å; Q124-D149 WeakPolarHBondContact CA-O 3.44Å; Q124-D149 HydrophobicContact CB-CB 4.49Å; Q124-D149 VanDerWaalsContact CB-CG 3.46Å; Q124-D149 VanDerWaalsContact CB-O 3.25Å; Q124-D149 WeakPolarHBondContact CB-O 3.28Å; Q124-D149 WeakPolarHBondContact CB-OD2 3.16Å
125	N	92.6	Very high	87	Confident	95 Å²	95	46.5 Å²	46.5	51%	0.508	22%	0.224	S	C	.	.	S	Bend	trans	54.2	60.5	-176	-171.8	18.3	0	0	0	111	G101 N102 D149 A150	G101-N125 CarbonylContact C-O 3.1Å; G101-N125 WeakPolarHBondContact CA-O 3.44Å; G101-N125 PolarHBondContact N-O 3.13Å; N102-N125 PolarHBondContact N-O 3.03Å; N125-D149 PolarHBondContact N-O 3.12Å; N125-D149 VanDerWaalsContact N-O 3.15Å; N125-A150 WeakPolarHBondContact CA-O 3.3Å; N125-A150 HydrophobicContact CB-CB 4.35Å; N125-A150 PolarHBondContact N-O 2.9Å; N125-A150 VanDerWaalsContact N-O 3.09Å
126	N	93.9	Very high	86.3	Confident	10 Å²	10	50.4 Å²	50.4	5%	0.053	25%	0.25	C	C	.	.	S	Bend	trans	-129.7	-171.4	174.7	-91.2	-80	0	0	0	109.1	I99 N102 L104 L123 Q124 L128 A150 N151	I99-N126 PolarHBondContact O-ND2 2.78Å; N102-N126 WeakPolarHBondContact CA-OD1 3.48Å; N102-N126 WeakPolarHBondContact CB-OD1 3.11Å; N102-N126 PolarHBondContact O-OD1 3.15Å; L104-N126 HydrophobicContact CB-CB 4.43Å; L104-N126 VanDerWaalsContact CB-OD1 3.3Å; L104-N126 WeakPolarHBondContact CB-OD1 3.48Å; L104-N126 WeakPolarHBondContact CG-OD1 3.4Å; L104-N126 PolarHBondContact N-OD1 3.24Å; L104-N126 VanDerWaalsContact N-OD1 3.12Å; L123-N126 PolarHBondContact O-ND2 3.09Å; Q124-N126 PolarHBondContact O-ND2 3.25Å; N126-L128 HydrophobicContact CB-CG 4.18Å; N126-A150 PolarHBondContact N-O 2.77Å; N126-N151 WeakPolarHBondContact CA-OD1 3.48Å; N126-N151 WeakPolarHBondContact CB-OD1 3.42Å; N126-N151 PolarHBondContact O-OD1 2.59Å
127	Q	94.1	Very high	86	Confident	63 Å²	63	47.4 Å²	47.4	29%	0.294	24%	0.235	S	C	.	.			trans	-111.6	27.9	-179	-61.7	178.5	11.3	0	0	111.5	L104 R105 E129 L152	L104-Q127 CarbonylContact O-C 3.15Å; L104-Q127 VanDerWaalsContact O-CA 3.31Å; L104-Q127 WeakPolarHBondContact O-CA 3.45Å; L104-Q127 PolarHBondContact O-N 2.96Å; R105-Q127 WeakPolarHBondContact CA-O 3.08Å; R105-Q127 HydrophobicContact CG-CB 3.78Å; R105-Q127 VanDerWaalsContact NE-OE1 3.14Å; Q127-E129 PolarHBondContact O-N 3.01Å; Q127-L152 HydrophobicContact CB-CD1 4.36Å
128	L	91.8	Very high	85.3	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.016	23%	0.233	C	C	.	.			trans	-66.8	109.1	-171.4	-61.5	173.2	0	0	0	110.7	L104 I107 L123 N126 L148 N151 L152 L153	L104-L128 HydrophobicContact CB-CD2 4.01Å; L104-L128 WeakPolarHBondContact O-CD2 3.39Å; L104-L128 PolarHBondContact O-N 2.93Å; I107-L128 HydrophobicContact CD1-CD1 4.39Å; I107-L128 HydrophobicContact CD1-CD2 4.1Å; I107-L128 HydrophobicContact CG1-CD2 4.02Å; L123-L128 HydrophobicContact CB-CD1 4.4Å; N126-L128 HydrophobicContact CB-CG 4.18Å; L128-L148 HydrophobicContact CD1-CD2 4.01Å; L128-N151 HydrophobicContact CB-CB 4.38Å; L128-N151 WeakPolarHBondContact CB-OD1 3.24Å; L128-N151 VanDerWaalsContact CG-OD1 3.26Å; L128-N151 WeakPolarHBondContact CG-OD1 3.09Å; L128-N151 PolarHBondContact N-OD1 3.03Å; L128-L152 CarbonylContact O-C 3.35Å; L128-L152 WeakPolarHBondContact O-CA 3.07Å; L128-L152 PolarHBondContact O-N 3.47Å; L128-L152 VanDerWaalsContact O-N 3.1Å; L128-L153 HydrophobicContact CB-CD2 4.12Å; L128-L153 WeakPolarHBondContact O-CD2 3.08Å; L128-L153 PolarHBondContact O-N 2.89Å; L128-L153 VanDerWaalsContact O-N 3.12Å
129	E	90.6	Very high	84.7	Confident	105 Å²	105	46.9 Å²	46.9	49%	0.491	23%	0.233	S	C	.	.			trans	-81.4	-29.2	179	-64.6	172.2	-151.8	0	0	111.8	R105 Q127	R105-E129 PolarHBondContact O-N 2.88Å; Q127-E129 PolarHBondContact O-N 3.01Å
130	R	86.8	Confident	83.8	Confident	101 Å²	101	43.2 Å²	43.2	38%	0.381	23%	0.228	S	C	.	.			trans	-154.2	148.2	-178.4	71.3	-168.3	-162.3	104.2	15.2	112.2	Y106 D133	Y106-R130 HydrophobicContact CD2-CG 3.87Å; Y106-R130 HydrophobicContact CE2-CG 4.17Å; Y106-R130 VanDerWaalsContact CZ-NH2 3.3Å; Y106-R130 PolarHBondContact OH-NH2 2.98Å; R130-D133 IonicContact CZ-OD1 3.44Å; R130-D133 IonicContact NH1-OD1 2.88Å; R130-D133 PolarHBondContact NH1-OD1 3.21Å; R130-D133 IonicContact NH1-OD2 2.7Å; R130-D133 PolarHBondContact NH1-OD2 3.21Å; R130-D133 IonicContact NH2-OD1 3.64Å; R130-D133 PolarHBondContact NH2-OD1 3.35Å
131	L	87.2	Confident	82.8	Confident	7 Å²	7	44.4 Å²	44.4	4%	0.037	24%	0.237	C	C	.	.			trans	-79.7	157.4	166.2	-64.3	179.9	0	0	0	111	L148 L153 V156 A160 F161	L131-L148 HydrophobicContact CD1-CD1 4Å; L131-L148 HydrophobicContact CD2-CD1 3.93Å; L131-L148 HydrophobicContact CD2-CD2 3.92Å; L131-L153 HydrophobicContact CD2-CD1 4.41Å; L131-L153 HydrophobicContact CD2-CD2 4.31Å; L131-L153 HydrophobicContact CG-CD1 4.37Å; L131-L153 HydrophobicContact CG-CD2 4.11Å; L131-V156 HydrophobicContact CD1-CG1 4.22Å; L131-V156 HydrophobicContact CD1-CG2 4.26Å; L131-A160 HydrophobicContact CB-CB 4.17Å; L131-A160 HydrophobicContact CD1-CB 4.08Å; L131-F161 HydrophobicContact CD1-CE1 3.95Å; L131-F161 HydrophobicContact CD1-CZ 4.25Å
132	P	81.4	Confident	81.6	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.039	24%	0.238	C	C	.	.			trans	-61.8	138.5	-178.8	21.8	-32.1	0	0	0	113.9	Y106 I107 D134 W137	Y106-P132 HydrophobicContact CE2-CB 4.31Å; I107-P132 WeakPolarHBondContact O-CB 3.1Å; I107-P132 WeakPolarHBondContact O-CD 3.29Å; I107-P132 VanDerWaalsContact O-CG 3.29Å; I107-P132 WeakPolarHBondContact O-CG 3.35Å; P132-D134 WeakPolarHBondContact CB-OD1 3.19Å; P132-W137 VanDerWaalsContact CD-CZ2 3.49Å; P132-W137 HydrophobicContact CG-CH2 3.6Å; P132-W137 HydrophobicContact CG-CZ2 3.21Å; P132-W137 HydrophobicContact CG-CZ3 4.38Å
133	D	75.3	Confident	80.2	Confident	105 Å²	105	46.3 Å²	46.3	56%	0.561	25%	0.248	S	C	*	.	S	Bend	trans	-116.5	-0.8	171.2	54.7	-8.4	0	0	0	112	R130	R130-D133 IonicContact CZ-OD1 3.44Å; R130-D133 IonicContact NH1-OD1 2.88Å; R130-D133 PolarHBondContact NH1-OD1 3.21Å; R130-D133 IonicContact NH1-OD2 2.7Å; R130-D133 PolarHBondContact NH1-OD2 3.21Å; R130-D133 IonicContact NH2-OD1 3.64Å; R130-D133 PolarHBondContact NH2-OD1 3.35Å
134	D	71.1	Confident	79	Confident	84 Å²	84	48.1 Å²	48.1	45%	0.449	26%	0.261	S	S	.	.	S	Bend	trans	-88.5	-38	-172.7	59.5	3.4	0	0	0	114.2	Y106 S108 G109 P132	Y106-D134 PolarHBondContact OH-OD1 2.93Å; Y106-D134 PolarHBondContact OH-OD2 3.12Å; S108-D134 VanDerWaalsContact CB-OD2 3.26Å; S108-D134 WeakPolarHBondContact CB-OD2 3.46Å; S108-D134 PolarHBondContact OG-OD1 3.45Å; S108-D134 PolarHBondContact OG-OD2 3.22Å; G109-D134 PolarHBondContact N-OD1 3.37Å; P132-D134 WeakPolarHBondContact CB-OD1 3.19Å
135	A	71.1	Confident	77.7	Confident	20 Å²	20	47.7 Å²	47.7	17%	0.165	26%	0.259	C	S	.	.	S	Bend	trans	-152.4	142.1	-179.6	0	0	0	0	0	111.2	N110	N110-A135 WeakPolarHBondContact ND2-CB 3.39Å
136	P	74	Confident	77.1	Confident	83 Å²	83	43.2 Å²	43.2	54%	0.539	24%	0.235	S	C	.	.			trans	-69.4	161.1	172.9	32.1	-36.2	0	0	0	111.4	K162	P136-K162 HydrophobicContact CB-CB 4.19Å; P136-K162 HydrophobicContact CB-CD 4.46Å; P136-K162 HydrophobicContact CB-CG 4.2Å
137	W	76.1	Confident	76.7	Confident	11 Å²	11	45.8 Å²	45.8	4%	0.042	24%	0.244	C	C	.	.			trans	-81.4	130	-178	-54.1	96	0	0	0	112.1	I107 L112 P132 L139 W146 A160 K162 G163 V164	I107-W137 HydrophobicContact CB-CH2 4.5Å; I107-W137 HydrophobicContact CG2-CH2 4.08Å; I107-W137 HydrophobicContact CG2-CZ3 4.11Å; L112-W137 HydrophobicContact CD1-CE3 4.08Å; L112-W137 HydrophobicContact CD1-CZ3 3.64Å; L112-W137 HydrophobicContact CG-CZ3 4.05Å; P132-W137 VanDerWaalsContact CD-CZ2 3.49Å; P132-W137 HydrophobicContact CG-CH2 3.6Å; P132-W137 HydrophobicContact CG-CZ2 3.21Å; P132-W137 HydrophobicContact CG-CZ3 4.38Å; W137-L139 HydrophobicContact CB-CB 4.35Å; W137-L139 HydrophobicContact CB-CD1 4.19Å; W137-L139 HydrophobicContact CB-CG 4.18Å; W137-L139 HydrophobicContact CE3-CD1 4.24Å; W137-L139 PolarHBondContact O-N 3.18Å; W137-L139 VanDerWaalsContact O-N 3.15Å; W137-W146 HydrophobicContact CD2-CH2 4.33Å; W137-W146 AromaticContact CE2-CH2 3.55Å; W137-W146 HydrophobicContact CH2-CZ2 4.27Å; W137-W146 AromaticContact CZ2-CH2 3.66Å; W137-W146 HydrophobicContact CZ2-CH2 3.66Å; W137-W146 AromaticContact CZ2-CZ2 3.7Å; W137-W146 HydrophobicContact CZ2-CZ2 3.7Å; W137-W146 AromaticContact NE1-CH2 3.52Å; W137-A160 VanDerWaalsContact CD1-O 3.31Å; W137-A160 PolarHBondContact NE1-O 3.36Å; W137-K162 PolarHBondContact N-O 3.27Å; W137-K162 VanDerWaalsContact N-O 3.09Å; W137-G163 WeakPolarHBondContact O-CA 3.18Å; W137-V164 HydrophobicContact CB-CG1 4.24Å
138	D	72.8	Confident	76.3	Confident	63 Å²	63	42.8 Å²	42.8	34%	0.337	23%	0.23	S	C	.	.			trans	-88.8	55.1	173.6	-171.5	19.8	0	0	0	111	H116 P140	H116-D138 IonicContact CE1-OD2 3.58Å; D138-P140 WeakPolarHBondContact O-CD 3.36Å
139	L	74.6	Confident	76.1	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.01	23%	0.232	C	C	.	.			trans	-123.5	57	-171.9	-63.7	179.3	0	0	0	112.7	L112 L115 L118 W137 S141 L142 V164	L112-L139 HydrophobicContact CB-CD1 4.44Å; L112-L139 HydrophobicContact CB-CD2 4.34Å; L112-L139 HydrophobicContact CD1-CD1 4.09Å; L115-L139 HydrophobicContact CB-CD2 3.74Å; L118-L139 HydrophobicContact CD2-CD2 4.18Å; W137-L139 HydrophobicContact CB-CB 4.35Å; W137-L139 HydrophobicContact CB-CD1 4.19Å; W137-L139 HydrophobicContact CB-CG 4.18Å; W137-L139 HydrophobicContact CE3-CD1 4.24Å; W137-L139 PolarHBondContact O-N 3.18Å; W137-L139 VanDerWaalsContact O-N 3.15Å; L139-S141 PolarHBondContact O-N 3.3Å; L139-L142 HydrophobicContact CB-CB 4.2Å; L139-L142 HydrophobicContact CD1-CD2 4.41Å; L139-L142 PolarHBondContact O-N 3.3Å; L139-V164 HydrophobicContact CB-CG1 4.03Å
140	P	70	Confident	76.1	Confident	69 Å²	69	39.4 Å²	39.4	45%	0.448	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-11.8	-169.4	29.2	-38	0	0	0	115.3	D138	D138-P140 WeakPolarHBondContact O-CD 3.36Å
141	S	68.2	Low	76.4	Confident	48 Å²	48	35 Å²	35	34%	0.336	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	13.1	178.2	-61.6	0	0	0	0	114.3	H116 L118 L139 L143	H116-S141 VanDerWaalsContact O-CB 3.22Å; H116-S141 WeakPolarHBondContact O-CB 3.4Å; H116-S141 PolarHBondContact O-OG 3.38Å; L118-S141 CarbonylContact O-C 3.02Å; L139-S141 PolarHBondContact O-N 3.3Å; S141-L143 VanDerWaalsContact C-N 3.27Å; S141-L143 WeakPolarHBondContact O-CB 3.3Å; S141-L143 PolarHBondContact O-N 2.77Å
142	L	66.1	Low	76.7	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.224	C	C	.	.			trans	-68.6	86.1	175.7	-167.1	73.9	0	0	0	110.5	L118 L121 L139 W146 V164 S166 L167	L118-L142 HydrophobicContact CD2-CD1 4.13Å; L118-L142 HydrophobicContact CG-CD1 4.11Å; L118-L142 WeakPolarHBondContact O-CA 3.37Å; L118-L142 PolarHBondContact O-N 3.23Å; L121-L142 HydrophobicContact CB-CD1 4.06Å; L139-L142 HydrophobicContact CB-CB 4.2Å; L139-L142 HydrophobicContact CD1-CD2 4.41Å; L139-L142 PolarHBondContact O-N 3.3Å; L142-W146 HydrophobicContact CD2-CB 4.34Å; L142-W146 HydrophobicContact CD2-CD2 4.18Å; L142-W146 HydrophobicContact CD2-CE3 3.89Å; L142-W146 HydrophobicContact CD2-CG 4.39Å; L142-V164 HydrophobicContact CB-CG1 4.22Å; L142-V164 HydrophobicContact CD2-CB 4.19Å; L142-V164 HydrophobicContact CD2-CG1 3.65Å; L142-S166 CarbonylContact O-C 3.18Å; L142-L167 HydrophobicContact CD2-CD1 4.25Å; L142-L167 HydrophobicContact CG-CD1 4.22Å; L142-L167 VanDerWaalsContact O-CA 3.28Å; L142-L167 WeakPolarHBondContact O-CA 3.31Å; L142-L167 PolarHBondContact O-N 3.45Å
143	L	62.6	Low	77.2	Confident	67 Å²	67	38.7 Å²	38.7	35%	0.351	22%	0.222	S	C	.	.			trans	-104.9	-33.3	-165.2	-164.1	123.9	0	0	0	113	S141 R168	S141-L143 VanDerWaalsContact C-N 3.27Å; S141-L143 WeakPolarHBondContact O-CB 3.3Å; S141-L143 PolarHBondContact O-N 2.77Å; L143-R168 VanDerWaalsContact O-CB 3.28Å; L143-R168 WeakPolarHBondContact O-CB 3.48Å; L143-R168 VanDerWaalsContact O-CD 3.28Å; L143-R168 WeakPolarHBondContact O-CD 3.27Å; L143-R168 WeakPolarHBondContact O-CG 3.48Å; L143-R168 PolarHBondContact O-N 3.19Å; L143-R168 VanDerWaalsContact O-N 3.15Å
144	S	65.9	Low	78	Confident	41 Å²	41	36.7 Å²	36.7	29%	0.287	22%	0.216	S	C	.	.	S	Bend	trans	-98.4	-51.2	-163.9	-61.7	0	0	0	0	114.2	R119 H169	R119-S144 WeakPolarHBondContact O-CA 3.28Å; R119-S144 WeakPolarHBondContact O-CB 3.16Å; R119-S144 PolarHBondContact O-N 2.75Å; S144-H169 WeakPolarHBondContact O-CB 3.37Å; S144-H169 PolarHBondContact O-ND1 3.33Å
145	L	64.6	Low	78.9	Confident	18 Å²	18	38.1 Å²	38.1	9%	0.094	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	137	-172.6	177.1	60.9	0	0	0	112.6	R119 V120 L121 M122 R147 H169 W171	R119-L145 PolarHBondContact O-N 3.3Å; R119-L145 VanDerWaalsContact O-N 3.08Å; V120-L145 WeakPolarHBondContact CA-O 3.49Å; V120-L145 HydrophobicContact CG1-CB 4.31Å; V120-L145 HydrophobicContact CG1-CD2 4.33Å; V120-L145 HydrophobicContact CG2-CB 4.32Å; L121-L145 PolarHBondContact N-O 3.03Å; M122-L145 HydrophobicContact CE-CD2 4.41Å; L145-R147 HydrophobicContact CD1-CG 4.16Å; L145-R147 HydrophobicContact CD2-CG 4Å; L145-R147 HydrophobicContact CG-CG 4.06Å; L145-H169 HydrophobicContact CD1-CB 3.79Å; L145-W171 HydrophobicContact CD1-CD2 3.66Å; L145-W171 HydrophobicContact CD1-CE3 3.8Å; L145-W171 HydrophobicContact CD1-CG 4.32Å; L145-W171 HydrophobicContact CD1-CH2 3.72Å; L145-W171 HydrophobicContact CD1-CZ2 3.63Å; L145-W171 HydrophobicContact CD1-CZ3 3.82Å; L145-W171 HydrophobicContact CD2-CE3 4.43Å; L145-W171 HydrophobicContact CD2-CH2 3.73Å; L145-W171 HydrophobicContact CD2-CZ2 4.42Å; L145-W171 HydrophobicContact CD2-CZ3 3.75Å; L145-W171 HydrophobicContact CG-CH2 4.41Å; L145-W171 HydrophobicContact CG-CZ3 4.42Å
146	W	80.7	Confident	79.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	113.8	163.9	-167.1	-3.7	0	0	0	109.8	L121 W137 L142 L148 F161 V164 L167 H169 W171	L121-W146 HydrophobicContact CD2-CG 4.49Å; L121-W146 WeakPolarHBondContact O-CA 3.33Å; W137-W146 HydrophobicContact CD2-CH2 4.33Å; W137-W146 AromaticContact CE2-CH2 3.55Å; W137-W146 HydrophobicContact CH2-CZ2 4.27Å; W137-W146 AromaticContact CZ2-CH2 3.66Å; W137-W146 HydrophobicContact CZ2-CH2 3.66Å; W137-W146 AromaticContact CZ2-CZ2 3.7Å; W137-W146 HydrophobicContact CZ2-CZ2 3.7Å; W137-W146 AromaticContact NE1-CH2 3.52Å; L142-W146 HydrophobicContact CD2-CB 4.34Å; L142-W146 HydrophobicContact CD2-CD2 4.18Å; L142-W146 HydrophobicContact CD2-CE3 3.89Å; L142-W146 HydrophobicContact CD2-CG 4.39Å; W146-L148 HydrophobicContact CD2-CD1 4.33Å; W146-L148 HydrophobicContact CZ2-CD1 4.05Å; W146-L148 HydrophobicContact CZ2-CD2 4.45Å; W146-F161 HydrophobicContact CE3-CD1 4.44Å; W146-F161 HydrophobicContact CH2-CD1 4.18Å; W146-F161 HydrophobicContact CH2-CE1 4.36Å; W146-F161 AromaticContact CZ3-CD1 3.72Å; W146-F161 HydrophobicContact CZ3-CD1 3.72Å; W146-F161 HydrophobicContact CZ3-CE1 4.11Å; W146-V164 HydrophobicContact CE3-CG1 4.47Å; W146-V164 HydrophobicContact CE3-CG2 4.21Å; W146-V164 HydrophobicContact CZ3-CB 4.48Å; W146-V164 HydrophobicContact CZ3-CG1 4.11Å; W146-V164 HydrophobicContact CZ3-CG2 3.78Å; W146-L167 HydrophobicContact CB-CD1 3.87Å; W146-L167 HydrophobicContact CB-CD2 4.17Å; W146-L167 HydrophobicContact CE3-CD2 4.2Å; W146-H169 PolarHBondContact N-O 2.77Å; W146-W171 PolarHBondContact O-N 2.72Å; W146-W171 VanDerWaalsContact O-N 3.12Å
147	R	85.1	Confident	80.6	Confident	65 Å²	65	35.4 Å²	35.4	25%	0.245	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.9	172.2	-63.7	-161.9	69.1	144.6	6	110.8	L121 M122 L123 Q124 L145 D149 W171	L121-R147 PolarHBondContact O-N 3.21Å; M122-R147 HydrophobicContact CG-CG 4.23Å; L123-R147 WeakPolarHBondContact CB-O 3.42Å; L123-R147 PolarHBondContact N-O 3.18Å; L123-R147 VanDerWaalsContact N-O 3.13Å; Q124-R147 HydrophobicContact CB-CB 4.32Å; Q124-R147 VanDerWaalsContact OE1-CB 3.29Å; L145-R147 HydrophobicContact CD1-CG 4.16Å; L145-R147 HydrophobicContact CD2-CG 4Å; L145-R147 HydrophobicContact CG-CG 4.06Å; R147-D149 VanDerWaalsContact CB-OD1 3.24Å; R147-D149 WeakPolarHBondContact CB-OD1 3.31Å; R147-D149 IonicContact CZ-OD1 3.54Å; R147-D149 IonicContact CZ-OD2 3.39Å; R147-D149 IonicContact NE-OD1 2.83Å; R147-D149 PolarHBondContact NE-OD1 2.89Å; R147-D149 IonicContact NE-OD2 3.35Å; R147-D149 PolarHBondContact NE-OD2 3.35Å; R147-D149 VanDerWaalsContact NH2-CG 3.31Å; R147-D149 IonicContact NH2-OD1 2.66Å; R147-D149 PolarHBondContact NH2-OD1 2.83Å; R147-D149 IonicContact NH2-OD2 3.2Å; R147-D149 PolarHBondContact NH2-OD2 2.66Å; R147-W171 HydrophobicContact CG-CD2 4.43Å; R147-W171 HydrophobicContact CG-CE3 3.53Å; R147-W171 HydrophobicContact CG-CZ3 3.9Å
148	L	86.6	Confident	81.1	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.			trans	-128.6	13.3	171.7	-71.7	169.3	0	0	0	111.1	L123 L128 L131 W146 N151 L153 L170 W171 L172 N175	L123-L148 HydrophobicContact CB-CD2 4.29Å; L123-L148 HydrophobicContact CD1-CD2 3.99Å; L128-L148 HydrophobicContact CD1-CD2 4.01Å; L131-L148 HydrophobicContact CD1-CD1 4Å; L131-L148 HydrophobicContact CD2-CD1 3.93Å; L131-L148 HydrophobicContact CD2-CD2 3.92Å; W146-L148 HydrophobicContact CD2-CD1 4.33Å; W146-L148 HydrophobicContact CZ2-CD1 4.05Å; W146-L148 HydrophobicContact CZ2-CD2 4.45Å; L148-N151 WeakPolarHBondContact O-CB 3.33Å; L148-N151 PolarHBondContact O-ND2 3.06Å; L148-L153 HydrophobicContact CB-CD1 4.26Å; L148-L170 HydrophobicContact CD1-CD1 4.49Å; L148-W171 CarbonylContact C-O 3.45Å; L148-W171 WeakPolarHBondContact CA-O 3.4Å; L148-W171 PolarHBondContact N-O 3.14Å; L148-L172 HydrophobicContact CB-CD2 3.77Å; L148-L172 HydrophobicContact CD1-CD2 3.86Å; L148-L172 HydrophobicContact CG-CD2 4.49Å; L148-N175 PolarHBondContact O-ND2 3.01Å
149	D	88.1	Confident	81.6	Confident	9 Å²	9	40.7 Å²	40.7	5%	0.048	23%	0.229	C	C	.	.			trans	-70.8	162.5	-177.4	53.2	-80.8	0	0	0	113.7	Q124 N125 R147 N151 W171 D173	Q124-D149 WeakPolarHBondContact CA-O 3.44Å; Q124-D149 HydrophobicContact CB-CB 4.49Å; Q124-D149 VanDerWaalsContact CB-CG 3.46Å; Q124-D149 VanDerWaalsContact CB-O 3.25Å; Q124-D149 WeakPolarHBondContact CB-O 3.28Å; Q124-D149 WeakPolarHBondContact CB-OD2 3.16Å; N125-D149 PolarHBondContact N-O 3.12Å; N125-D149 VanDerWaalsContact N-O 3.15Å; R147-D149 VanDerWaalsContact CB-OD1 3.24Å; R147-D149 WeakPolarHBondContact CB-OD1 3.31Å; R147-D149 IonicContact CZ-OD1 3.54Å; R147-D149 IonicContact CZ-OD2 3.39Å; R147-D149 IonicContact NE-OD1 2.83Å; R147-D149 PolarHBondContact NE-OD1 2.89Å; R147-D149 IonicContact NE-OD2 3.35Å; R147-D149 PolarHBondContact NE-OD2 3.35Å; R147-D149 VanDerWaalsContact NH2-CG 3.31Å; R147-D149 IonicContact NH2-OD1 2.66Å; R147-D149 PolarHBondContact NH2-OD1 2.83Å; R147-D149 IonicContact NH2-OD2 3.2Å; R147-D149 PolarHBondContact NH2-OD2 2.66Å; D149-N151 PolarHBondContact O-ND2 3.18Å; D149-W171 PolarHBondContact N-O 2.99Å; D149-D173 CarbonylContact C-O 3.42Å; D149-D173 WeakPolarHBondContact CA-O 3.33Å; D149-D173 WeakPolarHBondContact CB-O 3.33Å; D149-D173 VanDerWaalsContact CB-OD1 3.3Å; D149-D173 WeakPolarHBondContact CB-OD1 3.5Å
150	A	90.5	Very high	82.1	Confident	28 Å²	28	40.6 Å²	40.6	23%	0.231	23%	0.229	C	C	.	.	S	Bend	trans	49.5	63	-174.3	0	0	0	0	0	112	N125 N126 D173 D174	N125-A150 WeakPolarHBondContact CA-O 3.3Å; N125-A150 HydrophobicContact CB-CB 4.35Å; N125-A150 PolarHBondContact N-O 2.9Å; N125-A150 VanDerWaalsContact N-O 3.09Å; N126-A150 PolarHBondContact N-O 2.77Å; A150-D173 PolarHBondContact N-O 3.42Å; A150-D174 CarbonylContact C-O 3.22Å; A150-D174 WeakPolarHBondContact CA-O 3.07Å; A150-D174 HydrophobicContact CB-CB 4.42Å; A150-D174 PolarHBondContact N-O 3.44Å
151	N	93.2	Very high	82.8	Confident	8 Å²	8	37.3 Å²	37.3	4%	0.043	21%	0.207	C	C	.	.	S	Bend	trans	-143	-177.9	-176.9	-90.7	-82.7	0	0	0	110.9	L123 N126 L128 L148 D149 L153 D174 N175	L123-N151 PolarHBondContact O-ND2 2.95Å; N126-N151 WeakPolarHBondContact CA-OD1 3.48Å; N126-N151 WeakPolarHBondContact CB-OD1 3.42Å; N126-N151 PolarHBondContact O-OD1 2.59Å; L128-N151 HydrophobicContact CB-CB 4.38Å; L128-N151 WeakPolarHBondContact CB-OD1 3.24Å; L128-N151 VanDerWaalsContact CG-OD1 3.26Å; L128-N151 WeakPolarHBondContact CG-OD1 3.09Å; L128-N151 PolarHBondContact N-OD1 3.03Å; L148-N151 WeakPolarHBondContact O-CB 3.33Å; L148-N151 PolarHBondContact O-ND2 3.06Å; D149-N151 PolarHBondContact O-ND2 3.18Å; N151-L153 HydrophobicContact CB-CG 4.45Å; N151-D174 PolarHBondContact N-O 2.99Å; N151-N175 VanDerWaalsContact CB-OD1 3.27Å; N151-N175 WeakPolarHBondContact CB-OD1 3.25Å; N151-N175 PolarHBondContact O-OD1 3.39Å
152	L	93.3	Very high	83.4	Confident	90 Å²	90	40.2 Å²	40.2	47%	0.471	21%	0.214	S	C	.	.			trans	-107.8	24.6	-174.4	-57.2	178.5	0	0	0	112.6	Q127 L128 S154	Q127-L152 HydrophobicContact CB-CD1 4.36Å; L128-L152 CarbonylContact O-C 3.35Å; L128-L152 WeakPolarHBondContact O-CA 3.07Å; L128-L152 PolarHBondContact O-N 3.47Å; L128-L152 VanDerWaalsContact O-N 3.1Å; L152-S154 PolarHBondContact O-N 3.09Å; L152-S154 VanDerWaalsContact O-N 3.15Å
153	L	92.5	Very high	84	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.			trans	-69.1	114.8	-175.8	-60.1	172.4	0	0	0	109.9	L128 L131 L148 N151 L172 N175 S176 L177	L128-L153 HydrophobicContact CB-CD2 4.12Å; L128-L153 WeakPolarHBondContact O-CD2 3.08Å; L128-L153 PolarHBondContact O-N 2.89Å; L128-L153 VanDerWaalsContact O-N 3.12Å; L131-L153 HydrophobicContact CD2-CD1 4.41Å; L131-L153 HydrophobicContact CD2-CD2 4.31Å; L131-L153 HydrophobicContact CG-CD1 4.37Å; L131-L153 HydrophobicContact CG-CD2 4.11Å; L148-L153 HydrophobicContact CB-CD1 4.26Å; N151-L153 HydrophobicContact CB-CG 4.45Å; L153-L172 HydrophobicContact CD1-CD2 3.92Å; L153-N175 WeakPolarHBondContact CB-OD1 3.28Å; L153-N175 WeakPolarHBondContact CG-OD1 3.24Å; L153-N175 PolarHBondContact N-OD1 3.25Å; L153-S176 CarbonylContact O-C 3.48Å; L153-S176 WeakPolarHBondContact O-CA 3.45Å; L153-S176 PolarHBondContact O-N 3.21Å; L153-L177 HydrophobicContact CB-CD2 4.25Å; L153-L177 WeakPolarHBondContact O-CD2 3.38Å; L153-L177 PolarHBondContact O-N 2.76Å
154	S	91.4	Very high	84.9	Confident	63 Å²	63	38.4 Å²	38.4	44%	0.441	21%	0.211	S	C	.	.			trans	-93.9	-29.2	175.9	56.4	0	0	0	0	113.2	L152 S176	L152-S154 PolarHBondContact O-N 3.09Å; L152-S154 VanDerWaalsContact O-N 3.15Å; S154-S176 WeakPolarHBondContact CA-O 3.02Å
155	K	89.8	Confident	85.6	Confident	114 Å²	114	39.5 Å²	39.5	50%	0.496	22%	0.218	S	C	.	.			trans	-148.2	148.7	176.9	-67.9	-177.4	-178.9	-83.8	0	110.8	E179	K155-E179 IonicContact NZ-OE1 2.59Å; K155-E179 PolarHBondContact NZ-OE1 3.06Å
156	V	91.3	Very high	86.4	Confident	15 Å²	15	40.6 Å²	40.6	9%	0.091	23%	0.227	C	C	.	.			trans	-106.9	120.8	171.4	172	0	0	0	0	108.9	L131 A160 F161 L177 P181 A184	L131-V156 HydrophobicContact CD1-CG1 4.22Å; L131-V156 HydrophobicContact CD1-CG2 4.26Å; V156-A160 HydrophobicContact CG1-CB 3.68Å; V156-F161 HydrophobicContact CG1-CE2 3.83Å; V156-F161 HydrophobicContact CG1-CZ 3.9Å; V156-L177 HydrophobicContact CG2-CD2 4.12Å; V156-P181 HydrophobicContact CB-CB 3.72Å; V156-P181 HydrophobicContact CB-CG 4.03Å; V156-P181 HydrophobicContact CG1-CB 4.14Å; V156-P181 HydrophobicContact CG1-CG 4.43Å; V156-P181 HydrophobicContact CG2-CB 4.46Å; V156-P181 HydrophobicContact CG2-CG 4.26Å; V156-A184 HydrophobicContact CG1-CB 3.77Å
157	P	89.3	Confident	86.7	Confident	32 Å²	32	40.6 Å²	40.6	21%	0.208	23%	0.227	C	C	.	.			trans	-70	152.7	179.7	21.9	-25.5	0	0	0	112.3	E159 A160	P157-E159 VanDerWaalsContact C-N 3.27Å; P157-E159 PolarHBondContact O-N 3.15Å; P157-E159 VanDerWaalsContact O-N 3.13Å; P157-A160 HydrophobicContact CG-CB 3.98Å; P157-A160 WeakPolarHBondContact O-CB 3.44Å; P157-A160 PolarHBondContact O-N 2.89Å
158	P	86.9	Confident	87	Confident	75 Å²	75	42.3 Å²	42.3	49%	0.487	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.9	-171.3	-27.9	36	0	0	0	115.4	A184	P158-A184 WeakPolarHBondContact O-CA 3.38Å
159	E	83.8	Confident	87.3	Confident	109 Å²	109	45.3 Å²	45.3	51%	0.509	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	2	-177.7	-55.1	-74	105.5	0	0	112.7	P157 F161 K162	P157-E159 VanDerWaalsContact C-N 3.27Å; P157-E159 PolarHBondContact O-N 3.15Å; P157-E159 VanDerWaalsContact O-N 3.13Å; E159-F161 PolarHBondContact O-N 2.99Å; E159-K162 WeakPolarHBondContact O-CB 3.13Å; E159-K162 PolarHBondContact O-N 3.32Å; E159-K162 WeakPolarHBondContact OE2-CD 3.17Å; E159-K162 WeakPolarHBondContact OE2-CE 3.14Å; E159-K162 IonicContact OE2-NZ 3.42Å; E159-K162 PolarHBondContact OE2-NZ 3Å
160	A	83.6	Confident	87.6	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.008	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.2	-168.8	0	0	0	0	0	115.5	L131 W137 V156 P157	L131-A160 HydrophobicContact CB-CB 4.17Å; L131-A160 HydrophobicContact CD1-CB 4.08Å; W137-A160 VanDerWaalsContact CD1-O 3.31Å; W137-A160 PolarHBondContact NE1-O 3.36Å; V156-A160 HydrophobicContact CG1-CB 3.68Å; P157-A160 HydrophobicContact CG-CB 3.98Å; P157-A160 WeakPolarHBondContact O-CB 3.44Å; P157-A160 PolarHBondContact O-N 2.89Å
161	F	85.3	Confident	87.8	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	10.7	179.9	-57.2	-46	0	0	0	113.1	L131 W146 V156 E159 G163 V164 L170 L172 A184 L185 L188	L131-F161 HydrophobicContact CD1-CE1 3.95Å; L131-F161 HydrophobicContact CD1-CZ 4.25Å; W146-F161 HydrophobicContact CE3-CD1 4.44Å; W146-F161 HydrophobicContact CH2-CD1 4.18Å; W146-F161 HydrophobicContact CH2-CE1 4.36Å; W146-F161 AromaticContact CZ3-CD1 3.72Å; W146-F161 HydrophobicContact CZ3-CD1 3.72Å; W146-F161 HydrophobicContact CZ3-CE1 4.11Å; V156-F161 HydrophobicContact CG1-CE2 3.83Å; V156-F161 HydrophobicContact CG1-CZ 3.9Å; E159-F161 PolarHBondContact O-N 2.99Å; F161-G163 PolarHBondContact O-N 3.01Å; F161-V164 HydrophobicContact CB-CG2 4Å; F161-V164 WeakPolarHBondContact O-CG2 3.44Å; F161-V164 PolarHBondContact O-N 3.12Å; F161-L170 HydrophobicContact CE1-CD1 4.36Å; F161-L170 HydrophobicContact CE1-CD2 4.5Å; F161-L170 HydrophobicContact CE2-CD2 4.16Å; F161-L170 HydrophobicContact CZ-CD1 4.42Å; F161-L170 HydrophobicContact CZ-CD2 3.98Å; F161-L172 HydrophobicContact CZ-CD1 4.34Å; F161-A184 HydrophobicContact CD2-CB 3.73Å; F161-A184 HydrophobicContact CE2-CB 3.98Å; F161-L185 HydrophobicContact CE2-CD2 4.19Å; F161-L188 HydrophobicContact CB-CD1 4.26Å; F161-L188 HydrophobicContact CB-CD2 4Å; F161-L188 HydrophobicContact CB-CG 4.14Å; F161-L188 HydrophobicContact CD2-CD1 3.75Å; F161-L188 HydrophobicContact CD2-CG 4.36Å; F161-L188 HydrophobicContact CE2-CD1 4.28Å; F161-L188 HydrophobicContact CG-CD1 4Å; F161-L188 HydrophobicContact CG-CG 4.43Å
162	K	81.8	Confident	87.8	Confident	109 Å²	109	46.8 Å²	46.8	47%	0.474	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	115.2	178.1	-166.8	169.2	-170.5	173.4	0	110.5	P136 W137 E159	P136-K162 HydrophobicContact CB-CB 4.19Å; P136-K162 HydrophobicContact CB-CD 4.46Å; P136-K162 HydrophobicContact CB-CG 4.2Å; W137-K162 PolarHBondContact N-O 3.27Å; W137-K162 VanDerWaalsContact N-O 3.09Å; E159-K162 WeakPolarHBondContact O-CB 3.13Å; E159-K162 PolarHBondContact O-N 3.32Å; E159-K162 WeakPolarHBondContact OE2-CD 3.17Å; E159-K162 WeakPolarHBondContact OE2-CE 3.14Å; E159-K162 IonicContact OE2-NZ 3.42Å; E159-K162 PolarHBondContact OE2-NZ 3Å
163	G	78.2	Confident	87.8	Confident	29 Å²	29	44.4 Å²	44.4	30%	0.299	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	114.3	-19.2	-178.2	0	0	0	0	0	114.6	W137 F161	W137-G163 WeakPolarHBondContact O-CA 3.18Å; F161-G163 PolarHBondContact O-N 3.01Å
164	V	81.7	Confident	87.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	26%	0.256	C	S	.	.			trans	-104	33.5	-178.6	-62	0	0	0	0	113.3	W137 L139 L142 W146 F161 S166 L167 L188	W137-V164 HydrophobicContact CB-CG1 4.24Å; L139-V164 HydrophobicContact CB-CG1 4.03Å; L142-V164 HydrophobicContact CB-CG1 4.22Å; L142-V164 HydrophobicContact CD2-CB 4.19Å; L142-V164 HydrophobicContact CD2-CG1 3.65Å; W146-V164 HydrophobicContact CE3-CG1 4.47Å; W146-V164 HydrophobicContact CE3-CG2 4.21Å; W146-V164 HydrophobicContact CZ3-CB 4.48Å; W146-V164 HydrophobicContact CZ3-CG1 4.11Å; W146-V164 HydrophobicContact CZ3-CG2 3.78Å; F161-V164 HydrophobicContact CB-CG2 4Å; F161-V164 WeakPolarHBondContact O-CG2 3.44Å; F161-V164 PolarHBondContact O-N 3.12Å; V164-S166 PolarHBondContact O-N 3.1Å; V164-L167 VanDerWaalsContact O-CB 3.31Å; V164-L167 WeakPolarHBondContact O-CB 3.21Å; V164-L167 PolarHBondContact O-N 3.06Å; V164-L188 HydrophobicContact CG2-CD2 4.08Å
165	C	79.1	Confident	88.1	Confident	63 Å²	63	46 Å²	46	43%	0.426	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-9.5	-171.4	-48.1	0	0	0	0	115	S190	C165-S190 WeakPolarHBondContact O-CB 3.28Å; C165-S190 PolarHBondContact O-OG 2.84Å
166	S	82.7	Confident	88.4	Confident	42 Å²	42	42.5 Å²	42.5	29%	0.294	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.8	177.7	-58.6	0	0	0	0	114.6	L142 V164	L142-S166 CarbonylContact O-C 3.18Å; V164-S166 PolarHBondContact O-N 3.1Å
167	L	87.6	Confident	88.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.			trans	-62.2	133.6	-175	-174.9	68.8	0	0	0	112.5	L142 W146 V164 H169 L170 L188 S190 L191	L142-L167 HydrophobicContact CD2-CD1 4.25Å; L142-L167 HydrophobicContact CG-CD1 4.22Å; L142-L167 VanDerWaalsContact O-CA 3.28Å; L142-L167 WeakPolarHBondContact O-CA 3.31Å; L142-L167 PolarHBondContact O-N 3.45Å; W146-L167 HydrophobicContact CB-CD1 3.87Å; W146-L167 HydrophobicContact CB-CD2 4.17Å; W146-L167 HydrophobicContact CE3-CD2 4.2Å; V164-L167 VanDerWaalsContact O-CB 3.31Å; V164-L167 WeakPolarHBondContact O-CB 3.21Å; V164-L167 PolarHBondContact O-N 3.06Å; L167-H169 WeakPolarHBondContact CD1-O 3.39Å; L167-L170 HydrophobicContact CD2-CB 4.02Å; L167-L170 HydrophobicContact CD2-CD1 4.24Å; L167-L188 HydrophobicContact CB-CD2 4.31Å; L167-L188 HydrophobicContact CD2-CD2 4.47Å; L167-S190 CarbonylContact O-C 3.56Å; L167-S190 VanDerWaalsContact O-C 3.28Å; L167-L191 HydrophobicContact CD2-CD1 4.26Å; L167-L191 HydrophobicContact CG-CD1 4.14Å; L167-L191 WeakPolarHBondContact O-CA 3.26Å; L167-L191 PolarHBondContact O-N 2.84Å
168	R	90.6	Very high	88.8	Confident	100 Å²	100	43.2 Å²	43.2	38%	0.377	23%	0.231	S	C	.	.			trans	-104.8	-33.9	178.7	-66.6	169.6	178.1	-136.2	8.7	114.7	L143 Q192 A193	L143-R168 VanDerWaalsContact O-CB 3.28Å; L143-R168 WeakPolarHBondContact O-CB 3.48Å; L143-R168 VanDerWaalsContact O-CD 3.28Å; L143-R168 WeakPolarHBondContact O-CD 3.27Å; L143-R168 WeakPolarHBondContact O-CG 3.48Å; L143-R168 PolarHBondContact O-N 3.19Å; L143-R168 VanDerWaalsContact O-N 3.15Å; R168-Q192 HydrophobicContact CB-CB 4.38Å; R168-Q192 HydrophobicContact CB-CG 4.03Å; R168-Q192 VanDerWaalsContact CD-OE1 3.27Å; R168-Q192 HydrophobicContact CG-CG 4.04Å; R168-Q192 VanDerWaalsContact NH1-OE1 3.07Å; R168-Q192 WeakPolarHBondContact O-CA 3.19Å; R168-Q192 PolarHBondContact O-N 3.48Å; R168-A193 PolarHBondContact O-N 3.06Å
169	H	93.1	Very high	89.2	Confident	64 Å²	64	44.4 Å²	44.4	30%	0.296	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.2	-179.1	-48.3	124.2	0	0	0	110.4	S144 L145 W146 L167 A193	S144-H169 WeakPolarHBondContact O-CB 3.37Å; S144-H169 PolarHBondContact O-ND1 3.33Å; L145-H169 HydrophobicContact CD1-CB 3.79Å; W146-H169 PolarHBondContact N-O 2.77Å; L167-H169 WeakPolarHBondContact CD1-O 3.39Å; H169-A193 WeakPolarHBondContact CA-O 3.12Å
170	L	93.4	Very high	89.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	116.8	-179.4	174.9	61.4	0	0	0	109.4	L148 F161 L167 L172 L185 L188 L191 A193 M194 T195	L148-L170 HydrophobicContact CD1-CD1 4.49Å; F161-L170 HydrophobicContact CE1-CD1 4.36Å; F161-L170 HydrophobicContact CE1-CD2 4.5Å; F161-L170 HydrophobicContact CE2-CD2 4.16Å; F161-L170 HydrophobicContact CZ-CD1 4.42Å; F161-L170 HydrophobicContact CZ-CD2 3.98Å; L167-L170 HydrophobicContact CD2-CB 4.02Å; L167-L170 HydrophobicContact CD2-CD1 4.24Å; L170-L172 HydrophobicContact CD1-CD1 4.21Å; L170-L172 HydrophobicContact CD1-CG 4.13Å; L170-L172 HydrophobicContact CD2-CD1 3.87Å; L170-L172 HydrophobicContact CG-CD1 3.95Å; L170-L172 HydrophobicContact CG-CG 4.18Å; L170-L185 HydrophobicContact CD2-CD2 4.14Å; L170-L188 HydrophobicContact CD2-CD1 3.77Å; L170-L191 HydrophobicContact CB-CD1 3.79Å; L170-L191 HydrophobicContact CB-CD2 4.35Å; L170-A193 PolarHBondContact N-O 2.82Å; L170-A193 VanDerWaalsContact N-O 3.16Å; L170-M194 HydrophobicContact CD2-SD 4.31Å; L170-M194 WeakPolarHBondContact O-CA 3.35Å; L170-T195 PolarHBondContact O-N 2.8Å
171	W	94.4	Very high	90.2	Very high	76 Å²	76	40.2 Å²	40.2	29%	0.288	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.5	-179.8	-56.9	-20.1	0	0	0	109.5	L145 W146 R147 L148 D149 T195	L145-W171 HydrophobicContact CD1-CD2 3.66Å; L145-W171 HydrophobicContact CD1-CE3 3.8Å; L145-W171 HydrophobicContact CD1-CG 4.32Å; L145-W171 HydrophobicContact CD1-CH2 3.72Å; L145-W171 HydrophobicContact CD1-CZ2 3.63Å; L145-W171 HydrophobicContact CD1-CZ3 3.82Å; L145-W171 HydrophobicContact CD2-CE3 4.43Å; L145-W171 HydrophobicContact CD2-CH2 3.73Å; L145-W171 HydrophobicContact CD2-CZ2 4.42Å; L145-W171 HydrophobicContact CD2-CZ3 3.75Å; L145-W171 HydrophobicContact CG-CH2 4.41Å; L145-W171 HydrophobicContact CG-CZ3 4.42Å; W146-W171 PolarHBondContact O-N 2.72Å; W146-W171 VanDerWaalsContact O-N 3.12Å; R147-W171 HydrophobicContact CG-CD2 4.43Å; R147-W171 HydrophobicContact CG-CE3 3.53Å; R147-W171 HydrophobicContact CG-CZ3 3.9Å; L148-W171 CarbonylContact C-O 3.45Å; L148-W171 WeakPolarHBondContact CA-O 3.4Å; L148-W171 PolarHBondContact N-O 3.14Å; D149-W171 PolarHBondContact N-O 2.99Å; W171-T195 HydrophobicContact CB-CG2 3.85Å; W171-T195 HydrophobicContact CG-CG2 3.96Å
172	L	94.3	Very high	90.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.			trans	-127.9	20.9	-176.3	-76.5	165.7	0	0	0	110.7	L148 L153 F161 L170 L177 T195 L196 N199	L148-L172 HydrophobicContact CB-CD2 3.77Å; L148-L172 HydrophobicContact CD1-CD2 3.86Å; L148-L172 HydrophobicContact CG-CD2 4.49Å; L153-L172 HydrophobicContact CD1-CD2 3.92Å; F161-L172 HydrophobicContact CZ-CD1 4.34Å; L170-L172 HydrophobicContact CD1-CD1 4.21Å; L170-L172 HydrophobicContact CD1-CG 4.13Å; L170-L172 HydrophobicContact CD2-CD1 3.87Å; L170-L172 HydrophobicContact CG-CD1 3.95Å; L170-L172 HydrophobicContact CG-CG 4.18Å; L172-L177 HydrophobicContact CB-CD1 4.36Å; L172-T195 PolarHBondContact N-O 3.16Å; L172-T195 VanDerWaalsContact N-O 3.11Å; L172-L196 HydrophobicContact CB-CD2 3.88Å; L172-L196 HydrophobicContact CD1-CD2 3.91Å; L172-N199 PolarHBondContact O-ND2 2.99Å
173	D	93.6	Very high	91	Very high	39 Å²	39	42.2 Å²	42.2	21%	0.209	23%	0.233	C	C	.	.			trans	-71.9	161.8	178	51.5	-62.6	0	0	0	113.1	D149 A150 N175 T195 A197	D149-D173 CarbonylContact C-O 3.42Å; D149-D173 WeakPolarHBondContact CA-O 3.33Å; D149-D173 WeakPolarHBondContact CB-O 3.33Å; D149-D173 VanDerWaalsContact CB-OD1 3.3Å; D149-D173 WeakPolarHBondContact CB-OD1 3.5Å; A150-D173 PolarHBondContact N-O 3.42Å; D173-N175 PolarHBondContact O-ND2 3.09Å; D173-T195 HydrophobicContact CB-CG2 3.97Å; D173-T195 WeakPolarHBondContact OD1-CG2 3.43Å; D173-A197 WeakPolarHBondContact CA-O 3.47Å; D173-A197 HydrophobicContact CB-CB 4.33Å; D173-A197 WeakPolarHBondContact CB-O 3.48Å
174	D	95.1	Very high	91.5	Very high	87 Å²	87	40.8 Å²	40.8	47%	0.465	22%	0.219	S	C	.	.	S	Bend	trans	49.9	62.6	-176.3	-166.9	35.8	0	0	0	112	A150 N151 A197 L198	A150-D174 CarbonylContact C-O 3.22Å; A150-D174 WeakPolarHBondContact CA-O 3.07Å; A150-D174 HydrophobicContact CB-CB 4.42Å; A150-D174 PolarHBondContact N-O 3.44Å; N151-D174 PolarHBondContact N-O 2.99Å; D174-A197 PolarHBondContact N-O 3.19Å; D174-L198 VanDerWaalsContact CA-O 3.28Å; D174-L198 WeakPolarHBondContact CA-O 3.45Å; D174-L198 HydrophobicContact CB-CB 4.31Å; D174-L198 PolarHBondContact N-O 2.75Å
175	N	95	Very high	92	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.048	22%	0.219	C	C	.	.	S	Bend	trans	-141.3	-177.2	-177.8	-90.7	-88	0	0	0	109.9	L148 N151 L153 D173 L177 L198 N199	L148-N175 PolarHBondContact O-ND2 3.01Å; N151-N175 VanDerWaalsContact CB-OD1 3.27Å; N151-N175 WeakPolarHBondContact CB-OD1 3.25Å; N151-N175 PolarHBondContact O-OD1 3.39Å; L153-N175 WeakPolarHBondContact CB-OD1 3.28Å; L153-N175 WeakPolarHBondContact CG-OD1 3.24Å; L153-N175 PolarHBondContact N-OD1 3.25Å; D173-N175 PolarHBondContact O-ND2 3.09Å; N175-L177 HydrophobicContact CB-CG 4.47Å; N175-L198 PolarHBondContact N-O 3.12Å; N175-L198 VanDerWaalsContact N-O 3.16Å; N175-N199 VanDerWaalsContact CB-OD1 3.25Å; N175-N199 WeakPolarHBondContact CB-OD1 3.42Å; N175-N199 PolarHBondContact O-OD1 2.98Å
176	S	95.4	Very high	92.3	Very high	41 Å²	41	39.3 Å²	39.3	29%	0.287	21%	0.213	S	C	.	.			trans	-111.7	28.6	-176.2	-66.5	0	0	0	0	113.4	L153 S154 T178	L153-S176 CarbonylContact O-C 3.48Å; L153-S176 WeakPolarHBondContact O-CA 3.45Å; L153-S176 PolarHBondContact O-N 3.21Å; S154-S176 WeakPolarHBondContact CA-O 3.02Å; S176-T178 PolarHBondContact O-N 2.99Å
177	L	95.4	Very high	92.4	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	21%	0.212	C	C	.	.			trans	-68.4	123.3	-177.9	-57.9	173.6	0	0	0	110.5	L153 V156 L172 N175 L196 N199 Q200 I201	L153-L177 HydrophobicContact CB-CD2 4.25Å; L153-L177 WeakPolarHBondContact O-CD2 3.38Å; L153-L177 PolarHBondContact O-N 2.76Å; V156-L177 HydrophobicContact CG2-CD2 4.12Å; L172-L177 HydrophobicContact CB-CD1 4.36Å; N175-L177 HydrophobicContact CB-CG 4.47Å; L177-L196 HydrophobicContact CD1-CD2 3.79Å; L177-N199 HydrophobicContact CB-CB 4.43Å; L177-N199 WeakPolarHBondContact CB-OD1 3.47Å; L177-N199 VanDerWaalsContact CG-OD1 3.27Å; L177-N199 WeakPolarHBondContact CG-OD1 3.37Å; L177-N199 PolarHBondContact N-OD1 3.21Å; L177-Q200 CarbonylContact O-C 3.45Å; L177-Q200 WeakPolarHBondContact O-CA 3.38Å; L177-Q200 PolarHBondContact O-N 3.06Å; L177-I201 PolarHBondContact O-N 3.24Å
178	T	93.8	Very high	92.5	Very high	60 Å²	60	39.1 Å²	39.1	37%	0.368	21%	0.212	S	C	.	.			trans	-91.4	-15.5	179.3	61.7	0	0	0	0	113.9	S176 Q200	S176-T178 PolarHBondContact O-N 2.99Å; T178-Q200 WeakPolarHBondContact CA-O 3.47Å
179	E	94.7	Very high	92.3	Very high	101 Å²	101	37.7 Å²	37.7	47%	0.472	22%	0.217	S	C	.	.	S	Bend	trans	-150.9	154.3	-172.6	69.1	-167.1	150.6	0	0	110.5	K155	K155-E179 IonicContact NZ-OE1 2.59Å; K155-E179 PolarHBondContact NZ-OE1 3.06Å
180	I	95	Very high	92.1	Very high	10 Å²	10	37 Å²	37	5%	0.051	22%	0.219	C	C	.	.			trans	-78.1	128.5	178.5	-69.1	161.2	0	0	0	109.7	V182 L185 L196 I201 I204 A208 F209 L220	I180-V182 HydrophobicContact CG2-CG2 4.18Å; I180-V182 PolarHBondContact O-N 2.91Å; I180-L185 HydrophobicContact CG2-CD1 3.93Å; I180-L196 HydrophobicContact CG1-CD1 4.42Å; I180-I201 HydrophobicContact CD1-CG2 4.19Å; I180-I201 HydrophobicContact CG1-CD1 4Å; I180-I201 HydrophobicContact CG1-CG2 4Å; I180-I204 HydrophobicContact CD1-CB 4.08Å; I180-I204 HydrophobicContact CD1-CG1 3.9Å; I180-I204 HydrophobicContact CD1-CG2 3.64Å; I180-A208 HydrophobicContact CG2-CB 4.46Å; I180-F209 HydrophobicContact CD1-CE2 4.44Å; I180-F209 HydrophobicContact CD1-CZ 3.82Å; I180-F209 HydrophobicContact CG2-CE1 3.79Å; I180-F209 HydrophobicContact CG2-CZ 4.07Å; I180-L220 HydrophobicContact CD1-CD2 4.44Å
181	P	93.4	Very high	92.1	Very high	11 Å²	11	37 Å²	37	7%	0.071	22%	0.219	C	C	.	.			trans	-82.3	63.4	-174.9	33.1	-35.5	0	0	0	112.7	V156 T183 A184 L185	V156-P181 HydrophobicContact CB-CB 3.72Å; V156-P181 HydrophobicContact CB-CG 4.03Å; V156-P181 HydrophobicContact CG1-CB 4.14Å; V156-P181 HydrophobicContact CG1-CG 4.43Å; V156-P181 HydrophobicContact CG2-CB 4.46Å; V156-P181 HydrophobicContact CG2-CG 4.26Å; P181-T183 VanDerWaalsContact C-N 3.25Å; P181-T183 PolarHBondContact O-N 2.94Å; P181-T183 VanDerWaalsContact O-N 3.12Å; P181-A184 HydrophobicContact CB-CB 4.41Å; P181-A184 PolarHBondContact O-N 3.23Å; P181-L185 HydrophobicContact CG-CD1 4.25Å; P181-L185 HydrophobicContact CG-CG 4.2Å; P181-L185 WeakPolarHBondContact O-CG 3.12Å; P181-L185 PolarHBondContact O-N 2.84Å
182	V	93	Very high	92.1	Very high	51 Å²	51	36.6 Å²	36.6	31%	0.309	22%	0.221	S	C	.	.	H	α-helix	trans	-47.1	-43.4	-174.9	-179.2	0	0	0	0	113.2	I180 G186 P205 A208	I180-V182 HydrophobicContact CG2-CG2 4.18Å; I180-V182 PolarHBondContact O-N 2.91Å; V182-G186 PolarHBondContact O-N 3.11Å; V182-P205 HydrophobicContact CG2-CG 4.06Å; V182-A208 HydrophobicContact CG2-CB 3.97Å
183	T	90.7	Very high	92.2	Very high	100 Å²	100	37.5 Å²	37.5	61%	0.613	23%	0.228	S	C	*	.	H	α-helix	trans	-67.1	-40.7	-177.9	47.6	0	0	0	0	113.1	P181	P181-T183 VanDerWaalsContact C-N 3.25Å; P181-T183 PolarHBondContact O-N 2.94Å; P181-T183 VanDerWaalsContact O-N 3.12Å
184	A	89.7	Confident	92.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.8	-44.1	178.2	0	0	0	0	0	111.5	V156 P158 F161 P181 G186 S187	V156-A184 HydrophobicContact CG1-CB 3.77Å; P158-A184 WeakPolarHBondContact O-CA 3.38Å; F161-A184 HydrophobicContact CD2-CB 3.73Å; F161-A184 HydrophobicContact CE2-CB 3.98Å; P181-A184 HydrophobicContact CB-CB 4.41Å; P181-A184 PolarHBondContact O-N 3.23Å; A184-G186 PolarHBondContact O-N 3.29Å; A184-S187 PolarHBondContact O-N 3.26Å; A184-S187 PolarHBondContact O-OG 3.16Å
185	L	91.3	Very high	92.3	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-61	-27.1	176.4	-65.7	176.6	0	0	0	112.5	F161 L170 I180 P181 S187 L188 M194 F209 L212	F161-L185 HydrophobicContact CE2-CD2 4.19Å; L170-L185 HydrophobicContact CD2-CD2 4.14Å; I180-L185 HydrophobicContact CG2-CD1 3.93Å; P181-L185 HydrophobicContact CG-CD1 4.25Å; P181-L185 HydrophobicContact CG-CG 4.2Å; P181-L185 WeakPolarHBondContact O-CG 3.12Å; P181-L185 PolarHBondContact O-N 2.84Å; L185-S187 PolarHBondContact O-N 2.9Å; L185-L188 HydrophobicContact CD2-CD1 4.19Å; L185-L188 PolarHBondContact O-N 3.13Å; L185-M194 HydrophobicContact CD1-CE 4.11Å; L185-M194 HydrophobicContact CD1-SD 4.17Å; L185-M194 HydrophobicContact CD2-SD 3.61Å; L185-F209 HydrophobicContact CD1-CD1 4.29Å; L185-F209 HydrophobicContact CD1-CE1 4.16Å; L185-L212 WeakPolarHBondContact O-CD2 3.22Å
186	G	87	Confident	92.3	Very high	29 Å²	29	31.8 Å²	31.8	30%	0.299	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-14.5	175	0	0	0	0	0	115.6	V182 A184 N211	V182-G186 PolarHBondContact O-N 3.11Å; A184-G186 PolarHBondContact O-N 3.29Å; G186-N211 PolarHBondContact O-ND2 3.02Å
187	S	84.4	Confident	92.4	Very high	38 Å²	38	29.9 Å²	29.9	27%	0.266	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-13.5	176.2	65.3	0	0	0	0	115.2	A184 L185 S189	A184-S187 PolarHBondContact O-N 3.26Å; A184-S187 PolarHBondContact O-OG 3.16Å; L185-S187 PolarHBondContact O-N 2.9Å; S187-S189 PolarHBondContact O-N 2.97Å
188	L	88.5	Confident	92.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.202	C	C	.	.			trans	-100.4	52	-166.5	-64.7	-179.5	0	0	0	113.7	F161 V164 L167 L170 L185 S190 L191 L212	F161-L188 HydrophobicContact CB-CD1 4.26Å; F161-L188 HydrophobicContact CB-CD2 4Å; F161-L188 HydrophobicContact CB-CG 4.14Å; F161-L188 HydrophobicContact CD2-CD1 3.75Å; F161-L188 HydrophobicContact CD2-CG 4.36Å; F161-L188 HydrophobicContact CE2-CD1 4.28Å; F161-L188 HydrophobicContact CG-CD1 4Å; F161-L188 HydrophobicContact CG-CG 4.43Å; V164-L188 HydrophobicContact CG2-CD2 4.08Å; L167-L188 HydrophobicContact CB-CD2 4.31Å; L167-L188 HydrophobicContact CD2-CD2 4.47Å; L170-L188 HydrophobicContact CD2-CD1 3.77Å; L185-L188 HydrophobicContact CD2-CD1 4.19Å; L185-L188 PolarHBondContact O-N 3.13Å; L188-S190 PolarHBondContact O-N 3.15Å; L188-S190 VanDerWaalsContact O-N 3.09Å; L188-L191 HydrophobicContact CB-CB 4.29Å; L188-L191 HydrophobicContact CD1-CD2 4.37Å; L188-L191 VanDerWaalsContact O-CB 3.28Å; L188-L191 WeakPolarHBondContact O-CB 3.37Å; L188-L191 PolarHBondContact O-N 3.28Å; L188-L191 VanDerWaalsContact O-N 3.12Å; L188-L212 HydrophobicContact CB-CD2 4.05Å; L188-L212 VanDerWaalsContact O-CD2 3.24Å; L188-L212 WeakPolarHBondContact O-CD2 3.34Å
189	S	87.1	Confident	92.6	Very high	70 Å²	70	30.7 Å²	30.7	49%	0.49	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.6	-177	56.3	0	0	0	0	115.4	S187	S187-S189 PolarHBondContact O-N 2.97Å
190	S	89.7	Confident	92.7	Very high	49 Å²	49	30.5 Å²	30.5	34%	0.343	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.4	176	-54.4	0	0	0	0	114.4	C165 L167 L188	C165-S190 WeakPolarHBondContact O-CB 3.28Å; C165-S190 PolarHBondContact O-OG 2.84Å; L167-S190 CarbonylContact O-C 3.56Å; L167-S190 VanDerWaalsContact O-C 3.28Å; L188-S190 PolarHBondContact O-N 3.15Å; L188-S190 VanDerWaalsContact O-N 3.09Å
191	L	92.9	Very high	92.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.183	C	C	.	.			trans	-68.8	135.2	-170.2	-158.2	69.4	0	0	0	111.6	L167 L170 L188 M194 L212 G214 L215	L167-L191 HydrophobicContact CD2-CD1 4.26Å; L167-L191 HydrophobicContact CG-CD1 4.14Å; L167-L191 WeakPolarHBondContact O-CA 3.26Å; L167-L191 PolarHBondContact O-N 2.84Å; L170-L191 HydrophobicContact CB-CD1 3.79Å; L170-L191 HydrophobicContact CB-CD2 4.35Å; L188-L191 HydrophobicContact CB-CB 4.29Å; L188-L191 HydrophobicContact CD1-CD2 4.37Å; L188-L191 VanDerWaalsContact O-CB 3.28Å; L188-L191 WeakPolarHBondContact O-CB 3.37Å; L188-L191 PolarHBondContact O-N 3.28Å; L188-L191 VanDerWaalsContact O-N 3.12Å; L191-M194 HydrophobicContact CD2-CB 3.96Å; L191-M194 HydrophobicContact CD2-CG 4.27Å; L191-M194 HydrophobicContact CD2-SD 3.84Å; L191-L212 HydrophobicContact CB-CD2 4.42Å; L191-L212 HydrophobicContact CD2-CD2 4.47Å; L191-G214 CarbonylContact O-C 3.26Å; L191-L215 HydrophobicContact CB-CD1 4.28Å; L191-L215 HydrophobicContact CD2-CD1 4.07Å; L191-L215 HydrophobicContact CG-CD1 3.96Å; L191-L215 WeakPolarHBondContact O-CA 3.48Å; L191-L215 PolarHBondContact O-N 3.24Å
192	Q	94.3	Very high	92.9	Very high	68 Å²	68	32.7 Å²	32.7	32%	0.318	20%	0.2	S	C	.	.			trans	-116.6	-34.4	-175.4	-53.9	-162.8	-84.3	0	0	112.6	R168 V216 V217	R168-Q192 HydrophobicContact CB-CB 4.38Å; R168-Q192 HydrophobicContact CB-CG 4.03Å; R168-Q192 VanDerWaalsContact CD-OE1 3.27Å; R168-Q192 HydrophobicContact CG-CG 4.04Å; R168-Q192 VanDerWaalsContact NH1-OE1 3.07Å; R168-Q192 WeakPolarHBondContact O-CA 3.19Å; R168-Q192 PolarHBondContact O-N 3.48Å; Q192-V216 WeakPolarHBondContact O-CA 3.25Å; Q192-V216 WeakPolarHBondContact O-CB 3.38Å; Q192-V216 PolarHBondContact O-N 2.78Å; Q192-V217 PolarHBondContact O-N 3.44Å; Q192-V217 VanDerWaalsContact O-N 3.14Å
193	A	95.4	Very high	93	Very high	19 Å²	19	34.1 Å²	34.1	16%	0.157	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.5	170.4	0	0	0	0	0	111.7	R168 H169 L170 V217	R168-A193 PolarHBondContact O-N 3.06Å; H169-A193 WeakPolarHBondContact CA-O 3.12Å; L170-A193 PolarHBondContact N-O 2.82Å; L170-A193 VanDerWaalsContact N-O 3.16Å; A193-V217 WeakPolarHBondContact CA-O 3.47Å; A193-V217 HydrophobicContact CB-CB 3.98Å
194	M	95.4	Very high	93.3	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.6	176.7	-172.6	168.5	61.2	0	0	110.8	L170 L185 L191 L196 F209 L212 L215 V217 L218 H219	L170-M194 HydrophobicContact CD2-SD 4.31Å; L170-M194 WeakPolarHBondContact O-CA 3.35Å; L185-M194 HydrophobicContact CD1-CE 4.11Å; L185-M194 HydrophobicContact CD1-SD 4.17Å; L185-M194 HydrophobicContact CD2-SD 3.61Å; L191-M194 HydrophobicContact CD2-CB 3.96Å; L191-M194 HydrophobicContact CD2-CG 4.27Å; L191-M194 HydrophobicContact CD2-SD 3.84Å; M194-L196 HydrophobicContact CE-CD1 4.07Å; M194-L196 HydrophobicContact CG-CG 4.48Å; M194-L196 HydrophobicContact SD-CD1 4.36Å; M194-F209 HydrophobicContact CE-CD1 3.97Å; M194-F209 HydrophobicContact CE-CE1 3.66Å; M194-L212 HydrophobicContact CE-CD1 3.9Å; M194-L215 HydrophobicContact CB-CD1 4.01Å; M194-L215 HydrophobicContact CE-CD2 4.47Å; M194-V217 PolarHBondContact N-O 3.44Å; M194-L218 HydrophobicContact CB-CD1 4.43Å; M194-L218 HydrophobicContact CE-CD1 3.66Å; M194-L218 WeakPolarHBondContact O-CA 3.49Å; M194-H219 PolarHBondContact O-N 3.17Å
195	T	96	Very high	93.6	Very high	14 Å²	14	31.6 Å²	31.6	9%	0.086	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.2	166.2	179.6	0	0	0	0	110.7	L170 W171 L172 D173 A197	L170-T195 PolarHBondContact O-N 2.8Å; W171-T195 HydrophobicContact CB-CG2 3.85Å; W171-T195 HydrophobicContact CG-CG2 3.96Å; L172-T195 PolarHBondContact N-O 3.16Å; L172-T195 VanDerWaalsContact N-O 3.11Å; D173-T195 HydrophobicContact CB-CG2 3.97Å; D173-T195 WeakPolarHBondContact OD1-CG2 3.43Å; T195-A197 WeakPolarHBondContact OG1-CB 3.22Å; T195-A197 PolarHBondContact OG1-N 3.07Å
196	L	96.3	Very high	93.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.199	C	C	.	.			trans	-127	24.3	172.2	-70.1	164.7	0	0	0	109.1	L172 L177 I180 M194 N199 I201 H219 L220 N223	L172-L196 HydrophobicContact CB-CD2 3.88Å; L172-L196 HydrophobicContact CD1-CD2 3.91Å; L177-L196 HydrophobicContact CD1-CD2 3.79Å; I180-L196 HydrophobicContact CG1-CD1 4.42Å; M194-L196 HydrophobicContact CE-CD1 4.07Å; M194-L196 HydrophobicContact CG-CG 4.48Å; M194-L196 HydrophobicContact SD-CD1 4.36Å; L196-N199 PolarHBondContact O-ND2 3.06Å; L196-I201 HydrophobicContact CB-CD1 3.96Å; L196-H219 PolarHBondContact N-O 3.42Å; L196-L220 HydrophobicContact CB-CD2 3.85Å; L196-L220 HydrophobicContact CD1-CD2 4.13Å; L196-N223 PolarHBondContact O-ND2 3.04Å
197	A	96.2	Very high	94.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.			trans	-71.3	163.9	-177.8	0	0	0	0	0	112.5	D173 D174 T195 N199 H221	D173-A197 WeakPolarHBondContact CA-O 3.47Å; D173-A197 HydrophobicContact CB-CB 4.33Å; D173-A197 WeakPolarHBondContact CB-O 3.48Å; D174-A197 PolarHBondContact N-O 3.19Å; T195-A197 WeakPolarHBondContact OG1-CB 3.22Å; T195-A197 PolarHBondContact OG1-N 3.07Å; A197-N199 PolarHBondContact O-N 3.06Å; A197-N199 PolarHBondContact O-ND2 3.13Å; A197-H221 CarbonylContact C-O 3.54Å; A197-H221 WeakPolarHBondContact CA-O 3.26Å; A197-H221 WeakPolarHBondContact CB-NE2 3.47Å; A197-H221 VanDerWaalsContact CB-O 3.27Å; A197-H221 WeakPolarHBondContact CB-O 3.46Å
198	L	96.6	Very high	94.7	Very high	73 Å²	73	34.9 Å²	34.9	38%	0.382	19%	0.19	S	C	.	.	S	Bend	trans	50.6	55.2	-178.6	-68.8	80.6	0	0	0	111.3	D174 N175 H221 N222	D174-L198 VanDerWaalsContact CA-O 3.28Å; D174-L198 WeakPolarHBondContact CA-O 3.45Å; D174-L198 HydrophobicContact CB-CB 4.31Å; D174-L198 PolarHBondContact N-O 2.75Å; N175-L198 PolarHBondContact N-O 3.12Å; N175-L198 VanDerWaalsContact N-O 3.16Å; L198-H221 PolarHBondContact N-O 2.94Å; L198-N222 WeakPolarHBondContact CA-O 3.27Å; L198-N222 HydrophobicContact CD1-CB 3.98Å; L198-N222 WeakPolarHBondContact CD1-ND2 3.45Å; L198-N222 HydrophobicContact CG-CB 3.89Å; L198-N222 PolarHBondContact N-O 3Å; L198-N222 VanDerWaalsContact N-O 3.14Å
199	N	96.8	Very high	95	Very high	7 Å²	7	35 Å²	35	4%	0.037	19%	0.19	C	C	.	.	S	Bend	trans	-136.3	-176.2	179.6	-88.9	-91.3	0	0	0	109.6	L172 N175 L177 L196 A197 I201 N222 N223	L172-N199 PolarHBondContact O-ND2 2.99Å; N175-N199 VanDerWaalsContact CB-OD1 3.25Å; N175-N199 WeakPolarHBondContact CB-OD1 3.42Å; N175-N199 PolarHBondContact O-OD1 2.98Å; L177-N199 HydrophobicContact CB-CB 4.43Å; L177-N199 WeakPolarHBondContact CB-OD1 3.47Å; L177-N199 VanDerWaalsContact CG-OD1 3.27Å; L177-N199 WeakPolarHBondContact CG-OD1 3.37Å; L177-N199 PolarHBondContact N-OD1 3.21Å; L196-N199 PolarHBondContact O-ND2 3.06Å; A197-N199 PolarHBondContact O-N 3.06Å; A197-N199 PolarHBondContact O-ND2 3.13Å; N199-I201 HydrophobicContact CB-CD1 4.42Å; N199-I201 HydrophobicContact CB-CG1 4.28Å; N199-N222 PolarHBondContact N-O 2.89Å; N199-N223 WeakPolarHBondContact CA-OD1 3.28Å; N199-N223 VanDerWaalsContact CB-OD1 3.22Å; N199-N223 WeakPolarHBondContact CB-OD1 3.41Å; N199-N223 PolarHBondContact O-OD1 3.16Å
200	Q	96.7	Very high	95.2	Very high	96 Å²	96	34.6 Å²	34.6	45%	0.449	19%	0.185	S	C	.	.			trans	-110.5	29.1	-175.2	-62.3	175	38.4	0	0	111.9	L177 T178 T202	L177-Q200 CarbonylContact O-C 3.45Å; L177-Q200 WeakPolarHBondContact O-CA 3.38Å; L177-Q200 PolarHBondContact O-N 3.06Å; T178-Q200 WeakPolarHBondContact CA-O 3.47Å; Q200-T202 PolarHBondContact O-N 3.04Å
201	I	96.9	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.			trans	-70.2	125.6	-176.9	-57.9	169.3	0	0	0	109.1	L177 I180 L196 N199 L220 N223 H224 I225	L177-I201 PolarHBondContact O-N 3.24Å; I180-I201 HydrophobicContact CD1-CG2 4.19Å; I180-I201 HydrophobicContact CG1-CD1 4Å; I180-I201 HydrophobicContact CG1-CG2 4Å; L196-I201 HydrophobicContact CB-CD1 3.96Å; N199-I201 HydrophobicContact CB-CD1 4.42Å; N199-I201 HydrophobicContact CB-CG1 4.28Å; I201-L220 HydrophobicContact CD1-CD2 4.2Å; I201-N223 HydrophobicContact CB-CB 4.5Å; I201-N223 VanDerWaalsContact CB-OD1 3.24Å; I201-N223 WeakPolarHBondContact CB-OD1 3.43Å; I201-N223 WeakPolarHBondContact CG1-OD1 3.47Å; I201-N223 PolarHBondContact N-OD1 2.84Å; I201-H224 CarbonylContact O-C 3.52Å; I201-H224 WeakPolarHBondContact O-CA 3.39Å; I201-H224 PolarHBondContact O-N 3.02Å; I201-I225 HydrophobicContact CB-CG1 4.39Å; I201-I225 HydrophobicContact CG2-CG1 4.17Å; I201-I225 WeakPolarHBondContact O-CG1 3.16Å; I201-I225 PolarHBondContact O-N 2.88Å; I201-I225 VanDerWaalsContact O-N 3.16Å
202	T	95.6	Very high	95.3	Very high	68 Å²	68	36.5 Å²	36.5	42%	0.417	19%	0.191	S	C	.	.			trans	-107.4	-20.8	-175.9	48.3	0	0	0	0	114.8	Q200 H224 Q226	Q200-T202 PolarHBondContact O-N 3.04Å; T202-H224 WeakPolarHBondContact CA-O 3.32Å; T202-H224 HydrophobicContact CG2-CB 4.07Å; T202-Q226 PolarHBondContact O-N 3.14Å; T202-Q226 VanDerWaalsContact O-N 3.08Å
203	H	96.1	Very high	95.1	Very high	81 Å²	81	35.9 Å²	35.9	38%	0.375	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	139.9	-177.2	-179.8	75.2	0	0	0	112	S227	H203-S227 WeakPolarHBondContact CA-O 3.3Å; H203-S227 PolarHBondContact ND1-O 3.38Å; H203-S227 PolarHBondContact ND1-OG 3.33Å
204	I	96.6	Very high	95	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	110.8	170.3	-43.3	-178.1	0	0	0	109.2	I180 A208 F209 L220 I225 S227 M228 G229 C232 F233 L244	I180-I204 HydrophobicContact CD1-CB 4.08Å; I180-I204 HydrophobicContact CD1-CG1 3.9Å; I180-I204 HydrophobicContact CD1-CG2 3.64Å; I204-A208 HydrophobicContact CG2-CB 3.98Å; I204-F209 HydrophobicContact CG2-CE2 4.01Å; I204-L220 HydrophobicContact CD1-CD1 3.93Å; I204-I225 HydrophobicContact CD1-CD1 4.19Å; I204-I225 HydrophobicContact CD1-CG2 4.36Å; I204-I225 HydrophobicContact CG1-CD1 4.27Å; I204-I225 HydrophobicContact CG1-CG2 3.97Å; I204-S227 PolarHBondContact N-O 3.39Å; I204-M228 HydrophobicContact CB-CB 3.9Å; I204-M228 HydrophobicContact CD1-CB 4.42Å; I204-M228 HydrophobicContact CD1-CE 4.01Å; I204-M228 HydrophobicContact CG1-CB 4.26Å; I204-M228 CarbonylContact O-C 3.28Å; I204-M228 WeakPolarHBondContact O-CA 3.27Å; I204-G229 PolarHBondContact O-N 3.19Å; I204-C232 HydrophobicContact CB-CB 4.11Å; I204-C232 HydrophobicContact CG2-CB 3.56Å; I204-F233 HydrophobicContact CD1-CE1 4.1Å; I204-F233 HydrophobicContact CD1-CZ 3.92Å; I204-L244 HydrophobicContact CD1-CD2 4.29Å
205	P	95.7	Very high	95.1	Very high	46 Å²	46	36 Å²	36	30%	0.299	20%	0.198	S	C	.	.			trans	-70.3	159.1	179.9	28.4	-33.3	0	0	0	112.6	V182 A208 C232	V182-P205 HydrophobicContact CG2-CG 4.06Å; P205-A208 HydrophobicContact CG-CB 4.08Å; P205-A208 WeakPolarHBondContact O-CB 3.45Å; P205-A208 PolarHBondContact O-N 2.86Å; P205-C232 VanDerWaalsContact O-CA 3.24Å; P205-C232 WeakPolarHBondContact O-CA 3.42Å; P205-C232 WeakPolarHBondContact O-CB 3.39Å
206	D	95.7	Very high	95.1	Very high	46 Å²	46	37.2 Å²	37.2	25%	0.246	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	142.7	165.3	-97.5	16	0	0	0	110.1	A208 G229 S230 R231	D206-A208 PolarHBondContact O-N 2.88Å; D206-G229 WeakPolarHBondContact OD1-CA 3.09Å; D206-S230 PolarHBondContact OD1-N 2.8Å; D206-S230 PolarHBondContact OD1-OG 3.15Å; D206-R231 PolarHBondContact OD1-N 2.82Å; D206-R231 IonicContact OD2-CZ 3.85Å; D206-R231 IonicContact OD2-NE 3.6Å; D206-R231 PolarHBondContact OD2-NE 2.74Å; D206-R231 IonicContact OD2-NH2 3.15Å; D206-R231 PolarHBondContact OD2-NH2 3.42Å
207	Y	95.1	Very high	95.2	Very high	91 Å²	91	39.1 Å²	39.1	36%	0.357	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	12.7	176.3	-57.7	-66.2	0	0	0	116.7	F209 T210 R231 E234	Y207-F209 PolarHBondContact O-N 2.87Å; Y207-T210 WeakPolarHBondContact CA-OG1 3.18Å; Y207-T210 VanDerWaalsContact CB-OG1 3.29Å; Y207-T210 WeakPolarHBondContact CB-OG1 3.27Å; Y207-T210 PolarHBondContact O-N 3.04Å; Y207-T210 PolarHBondContact O-OG1 3.06Å; Y207-R231 HydrophobicContact CE1-CB 4.44Å; Y207-R231 PolarHBondContact N-O 3.02Å; Y207-R231 WeakPolarHBondContact OH-CD 3.43Å; Y207-R231 PolarHBondContact OH-NE 3.23Å; Y207-R231 PolarHBondContact OH-NH1 3.22Å; Y207-E234 HydrophobicContact CD1-CB 4.29Å; Y207-E234 HydrophobicContact CE1-CB 4.27Å; Y207-E234 HydrophobicContact CE1-CG 4.34Å; Y207-E234 WeakPolarHBondContact CE1-OE2 3.29Å
208	A	94.8	Very high	95.3	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.017	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-29.7	-174.1	0	0	0	0	0	115.5	I180 V182 I204 P205 D206 C232	I180-A208 HydrophobicContact CG2-CB 4.46Å; V182-A208 HydrophobicContact CG2-CB 3.97Å; I204-A208 HydrophobicContact CG2-CB 3.98Å; P205-A208 HydrophobicContact CG-CB 4.08Å; P205-A208 WeakPolarHBondContact O-CB 3.45Å; P205-A208 PolarHBondContact O-N 2.86Å; D206-A208 PolarHBondContact O-N 2.88Å; A208-C232 PolarHBondContact N-O 3.47Å
209	F	94.9	Very high	95.4	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.1	19.2	-174.1	-53.6	-68.7	0	0	0	114.1	I180 L185 M194 I204 Y207 N211 L212 L218 L220 F233 L236	I180-F209 HydrophobicContact CD1-CE2 4.44Å; I180-F209 HydrophobicContact CD1-CZ 3.82Å; I180-F209 HydrophobicContact CG2-CE1 3.79Å; I180-F209 HydrophobicContact CG2-CZ 4.07Å; L185-F209 HydrophobicContact CD1-CD1 4.29Å; L185-F209 HydrophobicContact CD1-CE1 4.16Å; M194-F209 HydrophobicContact CE-CD1 3.97Å; M194-F209 HydrophobicContact CE-CE1 3.66Å; I204-F209 HydrophobicContact CG2-CE2 4.01Å; Y207-F209 PolarHBondContact O-N 2.87Å; F209-N211 VanDerWaalsContact C-N 3.26Å; F209-N211 PolarHBondContact O-N 3.12Å; F209-L212 HydrophobicContact CB-CD1 4.2Å; F209-L212 HydrophobicContact CD1-CD1 3.87Å; F209-L212 HydrophobicContact CG-CD1 4.49Å; F209-L212 WeakPolarHBondContact O-CB 3.18Å; F209-L212 PolarHBondContact O-N 3.26Å; F209-L218 HydrophobicContact CD2-CD2 4.23Å; F209-L218 HydrophobicContact CE1-CD2 4.46Å; F209-L218 HydrophobicContact CE2-CD2 3.85Å; F209-L218 HydrophobicContact CZ-CD1 4.46Å; F209-L218 HydrophobicContact CZ-CD2 3.96Å; F209-L220 HydrophobicContact CZ-CD1 4.47Å; F209-F233 AromaticContact CD2-CD1 4Å; F209-F233 HydrophobicContact CD2-CD1 4Å; F209-F233 HydrophobicContact CD2-CE1 4.47Å; F209-F233 HydrophobicContact CE2-CD1 4.01Å; F209-F233 HydrophobicContact CE2-CE1 4.02Å; F209-L236 HydrophobicContact CB-CD1 4Å; F209-L236 HydrophobicContact CB-CD2 3.72Å; F209-L236 HydrophobicContact CB-CG 3.83Å; F209-L236 HydrophobicContact CD2-CD1 4.01Å; F209-L236 HydrophobicContact CG-CD1 4.22Å
210	T	91.8	Very high	95.4	Very high	63 Å²	63	38.2 Å²	38.2	39%	0.387	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-37.2	-167.7	-59.2	0	0	0	0	115.6	Y207 E234	Y207-T210 WeakPolarHBondContact CA-OG1 3.18Å; Y207-T210 VanDerWaalsContact CB-OG1 3.29Å; Y207-T210 WeakPolarHBondContact CB-OG1 3.27Å; Y207-T210 PolarHBondContact O-N 3.04Å; Y207-T210 PolarHBondContact O-OG1 3.06Å; T210-E234 WeakPolarHBondContact CA-O 3.11Å
211	N	90.1	Very high	95.4	Very high	87 Å²	87	35.6 Å²	35.6	47%	0.465	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-5.1	-176.1	-68	2.6	0	0	0	114.2	G186 F209 S213	G186-N211 PolarHBondContact O-ND2 3.02Å; F209-N211 VanDerWaalsContact C-N 3.26Å; F209-N211 PolarHBondContact O-N 3.12Å; N211-S213 VanDerWaalsContact C-N 3.27Å; N211-S213 PolarHBondContact O-N 2.92Å; N211-S213 VanDerWaalsContact O-N 3.13Å
212	L	93.4	Very high	95.4	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.215	C	C	.	.			trans	-88.7	48	-173.8	-55.9	-174.9	0	0	0	112.4	L185 L188 L191 M194 F209 G214 L215 L236	L185-L212 WeakPolarHBondContact O-CD2 3.22Å; L188-L212 HydrophobicContact CB-CD2 4.05Å; L188-L212 VanDerWaalsContact O-CD2 3.24Å; L188-L212 WeakPolarHBondContact O-CD2 3.34Å; L191-L212 HydrophobicContact CB-CD2 4.42Å; L191-L212 HydrophobicContact CD2-CD2 4.47Å; M194-L212 HydrophobicContact CE-CD1 3.9Å; F209-L212 HydrophobicContact CB-CD1 4.2Å; F209-L212 HydrophobicContact CD1-CD1 3.87Å; F209-L212 HydrophobicContact CG-CD1 4.49Å; F209-L212 WeakPolarHBondContact O-CB 3.18Å; F209-L212 PolarHBondContact O-N 3.26Å; L212-G214 PolarHBondContact O-N 3.25Å; L212-L215 HydrophobicContact CB-CB 4.15Å; L212-L215 HydrophobicContact CD1-CD2 4.32Å; L212-L215 VanDerWaalsContact O-CB 3.28Å; L212-L215 WeakPolarHBondContact O-CB 3.47Å; L212-L215 PolarHBondContact O-N 3.34Å; L212-L236 HydrophobicContact CB-CD2 3.89Å
213	S	91.9	Very high	95.5	Very high	55 Å²	55	35.6 Å²	35.6	39%	0.385	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.4	-173.3	59.8	0	0	0	0	115	N211 G235 S238	N211-S213 VanDerWaalsContact C-N 3.27Å; N211-S213 PolarHBondContact O-N 2.92Å; N211-S213 VanDerWaalsContact O-N 3.13Å; S213-G235 WeakPolarHBondContact CA-O 3.45Å; S213-S238 VanDerWaalsContact O-CB 3.26Å; S213-S238 WeakPolarHBondContact O-CB 3.36Å; S213-S238 PolarHBondContact O-OG 3.14Å
214	G	93.2	Very high	95.6	Very high	24 Å²	24	36.4 Å²	36.4	25%	0.247	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.1	172.6	0	0	0	0	0	115.3	L191 L212	L191-G214 CarbonylContact O-C 3.26Å; L212-G214 PolarHBondContact O-N 3.25Å
215	L	96.3	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.199	C	C	.	.			trans	-72.3	130	-172.4	-165.9	76.4	0	0	0	111.1	L191 M194 L212 L218 L236 S238 L239	L191-L215 HydrophobicContact CB-CD1 4.28Å; L191-L215 HydrophobicContact CD2-CD1 4.07Å; L191-L215 HydrophobicContact CG-CD1 3.96Å; L191-L215 WeakPolarHBondContact O-CA 3.48Å; L191-L215 PolarHBondContact O-N 3.24Å; M194-L215 HydrophobicContact CB-CD1 4.01Å; M194-L215 HydrophobicContact CE-CD2 4.47Å; L212-L215 HydrophobicContact CB-CB 4.15Å; L212-L215 HydrophobicContact CD1-CD2 4.32Å; L212-L215 VanDerWaalsContact O-CB 3.28Å; L212-L215 WeakPolarHBondContact O-CB 3.47Å; L212-L215 PolarHBondContact O-N 3.34Å; L215-L218 HydrophobicContact CD2-CB 4.02Å; L215-L218 HydrophobicContact CD2-CD1 4.41Å; L215-L218 HydrophobicContact CD2-CD2 4.5Å; L215-L236 HydrophobicContact CB-CD2 4Å; L215-L236 HydrophobicContact CD2-CD2 3.75Å; L215-L236 HydrophobicContact CG-CD2 4.5Å; L215-S238 CarbonylContact O-C 3.5Å; L215-S238 WeakPolarHBondContact O-CB 3.44Å; L215-L239 HydrophobicContact CB-CD1 4.42Å; L215-L239 HydrophobicContact CD2-CD1 3.98Å; L215-L239 HydrophobicContact CG-CD1 4.02Å; L215-L239 WeakPolarHBondContact O-CA 3.45Å; L215-L239 PolarHBondContact O-N 2.58Å
216	V	97.3	Very high	95.6	Very high	39 Å²	39	39.1 Å²	39.1	24%	0.236	21%	0.208	C	C	.	.			trans	-108.2	-38.7	-177.8	-175.5	0	0	0	0	111.1	Q192 S238 E240 T241	Q192-V216 WeakPolarHBondContact O-CA 3.25Å; Q192-V216 WeakPolarHBondContact O-CB 3.38Å; Q192-V216 PolarHBondContact O-N 2.78Å; V216-S238 WeakPolarHBondContact CA-O 3.49Å; V216-E240 HydrophobicContact CG1-CB 3.81Å; V216-E240 HydrophobicContact CG1-CG 3.96Å; V216-E240 PolarHBondContact O-N 3.35Å; V216-T241 PolarHBondContact O-N 3.25Å
217	V	97.8	Very high	95.5	Very high	39 Å²	39	39.8 Å²	39.8	24%	0.236	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.1	-177.1	-178.9	0	0	0	0	110.5	Q192 A193 M194 H219 T241	Q192-V217 PolarHBondContact O-N 3.44Å; Q192-V217 VanDerWaalsContact O-N 3.14Å; A193-V217 WeakPolarHBondContact CA-O 3.47Å; A193-V217 HydrophobicContact CB-CB 3.98Å; M194-V217 PolarHBondContact N-O 3.44Å; V217-H219 VanDerWaalsContact CG1-NE2 3.27Å; V217-H219 WeakPolarHBondContact CG1-NE2 3.31Å; V217-T241 HydrophobicContact CG1-CG2 4.47Å
218	L	97.8	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	113.2	175.1	177.4	56.5	0	0	0	110.8	M194 F209 L215 L220 F233 L236 L239 T241 L242 D243	M194-L218 HydrophobicContact CB-CD1 4.43Å; M194-L218 HydrophobicContact CE-CD1 3.66Å; M194-L218 WeakPolarHBondContact O-CA 3.49Å; F209-L218 HydrophobicContact CD2-CD2 4.23Å; F209-L218 HydrophobicContact CE1-CD2 4.46Å; F209-L218 HydrophobicContact CE2-CD2 3.85Å; F209-L218 HydrophobicContact CZ-CD1 4.46Å; F209-L218 HydrophobicContact CZ-CD2 3.96Å; L215-L218 HydrophobicContact CD2-CB 4.02Å; L215-L218 HydrophobicContact CD2-CD1 4.41Å; L215-L218 HydrophobicContact CD2-CD2 4.5Å; L218-L220 HydrophobicContact CD1-CD1 4.35Å; L218-L220 HydrophobicContact CD1-CG 4.29Å; L218-L220 HydrophobicContact CD2-CD1 4.05Å; L218-L220 HydrophobicContact CG-CD1 4.04Å; L218-L220 HydrophobicContact CG-CG 4.35Å; L218-F233 HydrophobicContact CD2-CD1 4.42Å; L218-F233 HydrophobicContact CD2-CE1 4.23Å; L218-L236 HydrophobicContact CD2-CD1 3.96Å; L218-L239 HydrophobicContact CB-CD1 3.85Å; L218-L239 HydrophobicContact CB-CD2 4.39Å; L218-T241 PolarHBondContact N-O 3.07Å; L218-L242 HydrophobicContact CB-CD1 4.21Å; L218-L242 HydrophobicContact CD2-CD1 4.03Å; L218-L242 HydrophobicContact CG-CD1 4.1Å; L218-D243 PolarHBondContact O-N 3.23Å
219	H	98.1	Very high	95.5	Very high	61 Å²	61	37.7 Å²	37.7	28%	0.282	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	127.2	175.3	-64.8	-173.9	0	0	0	111.3	M194 L196 V217	M194-H219 PolarHBondContact O-N 3.17Å; L196-H219 PolarHBondContact N-O 3.42Å; V217-H219 VanDerWaalsContact CG1-NE2 3.27Å; V217-H219 WeakPolarHBondContact CG1-NE2 3.31Å
220	L	97.4	Very high	95.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.241	C	C	.	.			trans	-131.8	15.7	178.6	-75.3	159.9	0	0	0	111.5	I180 L196 I201 I204 F209 L218 N223 I225 F233 D243 L244 N247	I180-L220 HydrophobicContact CD1-CD2 4.44Å; L196-L220 HydrophobicContact CB-CD2 3.85Å; L196-L220 HydrophobicContact CD1-CD2 4.13Å; I201-L220 HydrophobicContact CD1-CD2 4.2Å; I204-L220 HydrophobicContact CD1-CD1 3.93Å; F209-L220 HydrophobicContact CZ-CD1 4.47Å; L218-L220 HydrophobicContact CD1-CD1 4.35Å; L218-L220 HydrophobicContact CD1-CG 4.29Å; L218-L220 HydrophobicContact CD2-CD1 4.05Å; L218-L220 HydrophobicContact CG-CD1 4.04Å; L218-L220 HydrophobicContact CG-CG 4.35Å; L220-N223 PolarHBondContact O-ND2 3.42Å; L220-I225 HydrophobicContact CB-CD1 4.11Å; L220-I225 HydrophobicContact CD2-CD1 4.36Å; L220-F233 HydrophobicContact CD1-CE1 4.39Å; L220-D243 WeakPolarHBondContact CA-O 3.31Å; L220-D243 WeakPolarHBondContact CB-O 3.11Å; L220-D243 PolarHBondContact N-O 2.94Å; L220-L244 HydrophobicContact CB-CD2 3.98Å; L220-L244 HydrophobicContact CD1-CD2 3.93Å; L220-N247 PolarHBondContact O-ND2 2.57Å
221	H	97.3	Very high	95.5	Very high	41 Å²	41	43.7 Å²	43.7	19%	0.19	24%	0.241	C	C	.	.			trans	-67	162	-177.7	69.2	87.1	0	0	0	113.5	A197 L198 N223 D243 N245	A197-H221 CarbonylContact C-O 3.54Å; A197-H221 WeakPolarHBondContact CA-O 3.26Å; A197-H221 WeakPolarHBondContact CB-NE2 3.47Å; A197-H221 VanDerWaalsContact CB-O 3.27Å; A197-H221 WeakPolarHBondContact CB-O 3.46Å; L198-H221 PolarHBondContact N-O 2.94Å; H221-N223 PolarHBondContact O-N 3.37Å; H221-N223 PolarHBondContact O-ND2 3.38Å; H221-N223 VanDerWaalsContact O-ND2 3.14Å; H221-D243 IonicContact CD2-OD2 3.81Å; H221-D243 PolarHBondContact CD2-OD2 3.36Å; H221-D243 IonicContact CG-OD2 3.35Å; H221-N245 WeakPolarHBondContact CA-O 3.41Å; H221-N245 HydrophobicContact CB-CB 4.16Å; H221-N245 VanDerWaalsContact CB-O 3.3Å; H221-N245 WeakPolarHBondContact CB-O 3.47Å
222	N	97.5	Very high	95.8	Very high	65 Å²	65	39.5 Å²	39.5	35%	0.348	22%	0.219	S	C	.	.	S	Bend	trans	51.3	57.3	-176.6	-62.8	-40.4	0	0	0	111.6	L198 N199 N245 Y246	L198-N222 WeakPolarHBondContact CA-O 3.27Å; L198-N222 HydrophobicContact CD1-CB 3.98Å; L198-N222 WeakPolarHBondContact CD1-ND2 3.45Å; L198-N222 HydrophobicContact CG-CB 3.89Å; L198-N222 PolarHBondContact N-O 3Å; L198-N222 VanDerWaalsContact N-O 3.14Å; N199-N222 PolarHBondContact N-O 2.89Å; N222-N245 PolarHBondContact N-O 3.25Å; N222-N245 VanDerWaalsContact N-O 3.17Å; N222-Y246 VanDerWaalsContact CA-O 3.29Å; N222-Y246 WeakPolarHBondContact CA-O 3.47Å; N222-Y246 PolarHBondContact N-O 2.78Å; N222-Y246 WeakPolarHBondContact OD1-CB 3.23Å
223	N	97.6	Very high	95.9	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	22%	0.219	C	C	.	.	S	Bend	trans	-132.3	-177.3	174.1	-88	-92.1	0	0	0	109.1	L196 N199 I201 L220 H221 I225 Y246 N247	L196-N223 PolarHBondContact O-ND2 3.04Å; N199-N223 WeakPolarHBondContact CA-OD1 3.28Å; N199-N223 VanDerWaalsContact CB-OD1 3.22Å; N199-N223 WeakPolarHBondContact CB-OD1 3.41Å; N199-N223 PolarHBondContact O-OD1 3.16Å; I201-N223 HydrophobicContact CB-CB 4.5Å; I201-N223 VanDerWaalsContact CB-OD1 3.24Å; I201-N223 WeakPolarHBondContact CB-OD1 3.43Å; I201-N223 WeakPolarHBondContact CG1-OD1 3.47Å; I201-N223 PolarHBondContact N-OD1 2.84Å; L220-N223 PolarHBondContact O-ND2 3.42Å; H221-N223 PolarHBondContact O-N 3.37Å; H221-N223 PolarHBondContact O-ND2 3.38Å; H221-N223 VanDerWaalsContact O-ND2 3.14Å; N223-I225 HydrophobicContact CB-CD1 4.13Å; N223-I225 HydrophobicContact CB-CG1 3.99Å; N223-Y246 PolarHBondContact N-O 2.95Å; N223-N247 WeakPolarHBondContact CA-OD1 3.44Å; N223-N247 WeakPolarHBondContact CB-OD1 3.39Å; N223-N247 PolarHBondContact O-OD1 3Å
224	H	97.1	Very high	96	Very high	97 Å²	97	40.4 Å²	40.4	45%	0.449	22%	0.217	S	C	.	.			trans	-110.6	34.4	-179.3	-68.9	-56.1	0	0	0	112.5	I201 T202 Q226 D248	I201-H224 CarbonylContact O-C 3.52Å; I201-H224 WeakPolarHBondContact O-CA 3.39Å; I201-H224 PolarHBondContact O-N 3.02Å; T202-H224 WeakPolarHBondContact CA-O 3.32Å; T202-H224 HydrophobicContact CG2-CB 4.07Å; H224-Q226 PolarHBondContact O-N 3.29Å; H224-D248 WeakPolarHBondContact CA-OD2 3.26Å; H224-D248 IonicContact CG-OD2 3.38Å; H224-D248 IonicContact ND1-OD2 3.39Å; H224-D248 PolarHBondContact ND1-OD2 3.03Å; H224-D248 VanDerWaalsContact ND1-OD2 3.07Å
225	I	97.4	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.			trans	-71.1	103	-171.6	-56.6	166.1	0	0	0	109.2	I201 I204 L220 N223 L244 N247 D248 L249	I201-I225 HydrophobicContact CB-CG1 4.39Å; I201-I225 HydrophobicContact CG2-CG1 4.17Å; I201-I225 WeakPolarHBondContact O-CG1 3.16Å; I201-I225 PolarHBondContact O-N 2.88Å; I201-I225 VanDerWaalsContact O-N 3.16Å; I204-I225 HydrophobicContact CD1-CD1 4.19Å; I204-I225 HydrophobicContact CD1-CG2 4.36Å; I204-I225 HydrophobicContact CG1-CD1 4.27Å; I204-I225 HydrophobicContact CG1-CG2 3.97Å; L220-I225 HydrophobicContact CB-CD1 4.11Å; L220-I225 HydrophobicContact CD2-CD1 4.36Å; N223-I225 HydrophobicContact CB-CD1 4.13Å; N223-I225 HydrophobicContact CB-CG1 3.99Å; I225-L244 HydrophobicContact CD1-CD2 4.45Å; I225-N247 HydrophobicContact CB-CB 4.47Å; I225-N247 WeakPolarHBondContact CB-OD1 3.42Å; I225-N247 WeakPolarHBondContact CD1-OD1 3.35Å; I225-N247 WeakPolarHBondContact CG1-OD1 3.49Å; I225-N247 PolarHBondContact N-OD1 3.41Å; I225-D248 CarbonylContact O-C 3.24Å; I225-D248 VanDerWaalsContact O-C 3.26Å; I225-D248 PolarHBondContact O-N 3.49Å; I225-L249 HydrophobicContact CB-CD2 4.45Å; I225-L249 HydrophobicContact CG2-CD2 3.85Å; I225-L249 WeakPolarHBondContact O-CD2 3.4Å; I225-L249 PolarHBondContact O-N 2.99Å; I225-L249 VanDerWaalsContact O-N 3.11Å
226	Q	95.1	Very high	95.9	Very high	104 Å²	104	40.2 Å²	40.2	49%	0.486	22%	0.215	S	C	.	.			trans	-88.8	-25.7	179.7	-71.3	168.5	21.1	0	0	112.4	T202 H224 D248	T202-Q226 PolarHBondContact O-N 3.14Å; T202-Q226 VanDerWaalsContact O-N 3.08Å; H224-Q226 PolarHBondContact O-N 3.29Å; Q226-D248 HydrophobicContact CG-CB 3.57Å
227	S	94	Very high	95.7	Very high	59 Å²	59	45 Å²	45	41%	0.413	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.1	-174	61.1	0	0	0	0	112.3	H203 I204	H203-S227 WeakPolarHBondContact CA-O 3.3Å; H203-S227 PolarHBondContact ND1-O 3.38Å; H203-S227 PolarHBondContact ND1-OG 3.33Å; I204-S227 PolarHBondContact N-O 3.39Å
228	M	95.6	Very high	95.6	Very high	37 Å²	37	44.3 Å²	44.3	18%	0.182	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.9	175.5	58.4	173.3	71.2	0	0	111.8	I204 F233 L244 L249 P253 A255	I204-M228 HydrophobicContact CB-CB 3.9Å; I204-M228 HydrophobicContact CD1-CB 4.42Å; I204-M228 HydrophobicContact CD1-CE 4.01Å; I204-M228 HydrophobicContact CG1-CB 4.26Å; I204-M228 CarbonylContact O-C 3.28Å; I204-M228 WeakPolarHBondContact O-CA 3.27Å; M228-F233 HydrophobicContact CE-CE2 4.25Å; M228-F233 HydrophobicContact CE-CZ 4.2Å; M228-F233 HydrophobicContact SD-CE2 3.82Å; M228-F233 HydrophobicContact SD-CZ 4.26Å; M228-L244 HydrophobicContact CE-CD1 3.93Å; M228-L244 HydrophobicContact CE-CD2 4.23Å; M228-L249 HydrophobicContact CE-CD1 4.23Å; M228-L249 HydrophobicContact CE-CD2 3.85Å; M228-P253 HydrophobicContact CE-CB 3.89Å; M228-P253 HydrophobicContact SD-CB 3.58Å; M228-P253 VanDerWaalsContact SD-CB 3.58Å; M228-A255 HydrophobicContact SD-CB 4.47Å
229	G	93.5	Very high	95.6	Very high	13 Å²	13	44.4 Å²	44.4	13%	0.134	23%	0.232	C	C	.	.			trans	-66.9	146.1	174.4	0	0	0	0	0	112.6	I204 D206 R231 C232	I204-G229 PolarHBondContact O-N 3.19Å; D206-G229 WeakPolarHBondContact OD1-CA 3.09Å; G229-R231 PolarHBondContact O-N 2.84Å; G229-C232 WeakPolarHBondContact O-CB 3.29Å; G229-C232 PolarHBondContact O-N 3.45Å; G229-C232 VanDerWaalsContact O-N 3.12Å; G229-C232 PolarHBondContact O-SG 3.49Å
230	S	92.6	Very high	95.6	Very high	83 Å²	83	44.8 Å²	44.8	58%	0.58	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-22.3	177.7	60.8	0	0	0	0	115.6	D206	D206-S230 PolarHBondContact OD1-N 2.8Å; D206-S230 PolarHBondContact OD1-OG 3.15Å
231	R	95.3	Very high	95.6	Very high	107 Å²	107	46 Å²	46	40%	0.404	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	27.4	-176.5	-64.1	168	-65.8	-171.9	0.1	111.3	D206 Y207 G229 F233 E234	D206-R231 PolarHBondContact OD1-N 2.82Å; D206-R231 IonicContact OD2-CZ 3.85Å; D206-R231 IonicContact OD2-NE 3.6Å; D206-R231 PolarHBondContact OD2-NE 2.74Å; D206-R231 IonicContact OD2-NH2 3.15Å; D206-R231 PolarHBondContact OD2-NH2 3.42Å; Y207-R231 HydrophobicContact CE1-CB 4.44Å; Y207-R231 PolarHBondContact N-O 3.02Å; Y207-R231 WeakPolarHBondContact OH-CD 3.43Å; Y207-R231 PolarHBondContact OH-NE 3.23Å; Y207-R231 PolarHBondContact OH-NH1 3.22Å; G229-R231 PolarHBondContact O-N 2.84Å; R231-F233 VanDerWaalsContact C-N 3.28Å; R231-F233 PolarHBondContact O-N 3.25Å; R231-E234 HydrophobicContact CB-CB 4.12Å; R231-E234 WeakPolarHBondContact CB-OE2 3.1Å; R231-E234 VanDerWaalsContact CD-OE2 3.29Å; R231-E234 WeakPolarHBondContact CD-OE2 3.36Å; R231-E234 WeakPolarHBondContact CG-OE2 3.21Å; R231-E234 WeakPolarHBondContact O-CB 3.39Å; R231-E234 PolarHBondContact O-N 3.17Å; R231-E234 VanDerWaalsContact O-N 3.16Å
232	C	95.8	Very high	95.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-36	-177.2	62.7	0	0	0	0	113.6	I204 P205 A208 G229 A255	I204-C232 HydrophobicContact CB-CB 4.11Å; I204-C232 HydrophobicContact CG2-CB 3.56Å; P205-C232 VanDerWaalsContact O-CA 3.24Å; P205-C232 WeakPolarHBondContact O-CA 3.42Å; P205-C232 WeakPolarHBondContact O-CB 3.39Å; A208-C232 PolarHBondContact N-O 3.47Å; G229-C232 WeakPolarHBondContact O-CB 3.29Å; G229-C232 PolarHBondContact O-N 3.45Å; G229-C232 VanDerWaalsContact O-N 3.12Å; G229-C232 PolarHBondContact O-SG 3.49Å; C232-A255 WeakPolarHBondContact SG-CB 3.38Å
233	F	96.2	Very high	95.7	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	7.6	177.7	-55.7	-54.3	0	0	0	114	I204 F209 L218 L220 M228 R231 G235 L236 L242 L244 A255 I256 L259	I204-F233 HydrophobicContact CD1-CE1 4.1Å; I204-F233 HydrophobicContact CD1-CZ 3.92Å; F209-F233 AromaticContact CD2-CD1 4Å; F209-F233 HydrophobicContact CD2-CD1 4Å; F209-F233 HydrophobicContact CD2-CE1 4.47Å; F209-F233 HydrophobicContact CE2-CD1 4.01Å; F209-F233 HydrophobicContact CE2-CE1 4.02Å; L218-F233 HydrophobicContact CD2-CD1 4.42Å; L218-F233 HydrophobicContact CD2-CE1 4.23Å; L220-F233 HydrophobicContact CD1-CE1 4.39Å; M228-F233 HydrophobicContact CE-CE2 4.25Å; M228-F233 HydrophobicContact CE-CZ 4.2Å; M228-F233 HydrophobicContact SD-CE2 3.82Å; M228-F233 HydrophobicContact SD-CZ 4.26Å; R231-F233 VanDerWaalsContact C-N 3.28Å; R231-F233 PolarHBondContact O-N 3.25Å; F233-G235 PolarHBondContact O-N 3.2Å; F233-L236 HydrophobicContact CB-CD1 4.1Å; F233-L236 HydrophobicContact CD1-CD1 3.94Å; F233-L236 HydrophobicContact CG-CD1 4.46Å; F233-L236 WeakPolarHBondContact O-CB 3.24Å; F233-L236 PolarHBondContact O-N 3.14Å; F233-L242 HydrophobicContact CD2-CD2 4.32Å; F233-L242 HydrophobicContact CE1-CD1 4.12Å; F233-L242 HydrophobicContact CE1-CD2 4.4Å; F233-L242 HydrophobicContact CE2-CD2 3.89Å; F233-L242 HydrophobicContact CZ-CD1 4.2Å; F233-L242 HydrophobicContact CZ-CD2 3.94Å; F233-L244 HydrophobicContact CZ-CD1 4.25Å; F233-L244 HydrophobicContact CZ-CD2 4.33Å; F233-A255 HydrophobicContact CD2-CB 3.81Å; F233-A255 HydrophobicContact CE2-CB 4.36Å; F233-I256 HydrophobicContact CE2-CG2 4.48Å; F233-L259 HydrophobicContact CB-CD1 4.33Å; F233-L259 HydrophobicContact CB-CD2 4.14Å; F233-L259 HydrophobicContact CB-CG 4.44Å; F233-L259 HydrophobicContact CD2-CD1 4.43Å; F233-L259 HydrophobicContact CG-CD1 4.45Å
234	E	93.9	Very high	95.7	Very high	74 Å²	74	42 Å²	42	35%	0.346	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	130.3	177	-161.7	176.9	146.7	0	0	110.1	Y207 T210 R231	Y207-E234 HydrophobicContact CD1-CB 4.29Å; Y207-E234 HydrophobicContact CE1-CB 4.27Å; Y207-E234 HydrophobicContact CE1-CG 4.34Å; Y207-E234 WeakPolarHBondContact CE1-OE2 3.29Å; T210-E234 WeakPolarHBondContact CA-O 3.11Å; R231-E234 HydrophobicContact CB-CB 4.12Å; R231-E234 WeakPolarHBondContact CB-OE2 3.1Å; R231-E234 VanDerWaalsContact CD-OE2 3.29Å; R231-E234 WeakPolarHBondContact CD-OE2 3.36Å; R231-E234 WeakPolarHBondContact CG-OE2 3.21Å; R231-E234 WeakPolarHBondContact O-CB 3.39Å; R231-E234 PolarHBondContact O-N 3.17Å; R231-E234 VanDerWaalsContact O-N 3.16Å
235	G	91.4	Very high	95.7	Very high	17 Å²	17	38 Å²	38	18%	0.175	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.3	-23.1	-172.9	0	0	0	0	0	115	S213 F233 Q237	S213-G235 WeakPolarHBondContact CA-O 3.45Å; F233-G235 PolarHBondContact O-N 3.2Å; G235-Q237 PolarHBondContact O-N 3.18Å
236	L	95.3	Very high	95.7	Very high	4 Å²	4	43 Å²	43	2%	0.021	22%	0.223	C	C	.	.			trans	-76.8	60	-178.3	-65.9	-178.9	0	0	0	113.5	F209 L212 L215 L218 F233 S238 L239 L259	F209-L236 HydrophobicContact CB-CD1 4Å; F209-L236 HydrophobicContact CB-CD2 3.72Å; F209-L236 HydrophobicContact CB-CG 3.83Å; F209-L236 HydrophobicContact CD2-CD1 4.01Å; F209-L236 HydrophobicContact CG-CD1 4.22Å; L212-L236 HydrophobicContact CB-CD2 3.89Å; L215-L236 HydrophobicContact CB-CD2 4Å; L215-L236 HydrophobicContact CD2-CD2 3.75Å; L215-L236 HydrophobicContact CG-CD2 4.5Å; L218-L236 HydrophobicContact CD2-CD1 3.96Å; F233-L236 HydrophobicContact CB-CD1 4.1Å; F233-L236 HydrophobicContact CD1-CD1 3.94Å; F233-L236 HydrophobicContact CG-CD1 4.46Å; F233-L236 WeakPolarHBondContact O-CB 3.24Å; F233-L236 PolarHBondContact O-N 3.14Å; L236-S238 PolarHBondContact O-N 2.99Å; L236-S238 VanDerWaalsContact O-N 3.16Å; L236-L239 HydrophobicContact CB-CB 4.25Å; L236-L239 HydrophobicContact CD1-CD2 4.16Å; L236-L239 PolarHBondContact O-N 3.22Å; L236-L259 HydrophobicContact CB-CD2 3.71Å
237	Q	92.8	Very high	95.8	Very high	139 Å²	139	38.4 Å²	38.4	65%	0.65	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-10.7	-173.5	-63.3	-178.8	14.4	0	0	115.2	G235 K261	G235-Q237 PolarHBondContact O-N 3.18Å; Q237-K261 VanDerWaalsContact O-CE 3.23Å; Q237-K261 WeakPolarHBondContact O-CE 3.47Å; Q237-K261 PolarHBondContact O-NZ 3.01Å
238	S	96.2	Very high	96	Very high	25 Å²	25	38 Å²	38	18%	0.175	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	6.3	-178.4	-60	0	0	0	0	114.6	S213 L215 V216 L236 E240 K261	S213-S238 VanDerWaalsContact O-CB 3.26Å; S213-S238 WeakPolarHBondContact O-CB 3.36Å; S213-S238 PolarHBondContact O-OG 3.14Å; L215-S238 CarbonylContact O-C 3.5Å; L215-S238 WeakPolarHBondContact O-CB 3.44Å; V216-S238 WeakPolarHBondContact CA-O 3.49Å; L236-S238 PolarHBondContact O-N 2.99Å; L236-S238 VanDerWaalsContact O-N 3.16Å; S238-E240 PolarHBondContact O-N 3.01Å; S238-K261 PolarHBondContact OG-NZ 2.98Å
239	L	97.6	Very high	96	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.187	C	C	.	.			trans	-72	127.7	-172.1	-152.6	78.6	0	0	0	112	L215 L218 L236 L242 L259 K261 L262	L215-L239 HydrophobicContact CB-CD1 4.42Å; L215-L239 HydrophobicContact CD2-CD1 3.98Å; L215-L239 HydrophobicContact CG-CD1 4.02Å; L215-L239 WeakPolarHBondContact O-CA 3.45Å; L215-L239 PolarHBondContact O-N 2.58Å; L218-L239 HydrophobicContact CB-CD1 3.85Å; L218-L239 HydrophobicContact CB-CD2 4.39Å; L236-L239 HydrophobicContact CB-CB 4.25Å; L236-L239 HydrophobicContact CD1-CD2 4.16Å; L236-L239 PolarHBondContact O-N 3.22Å; L239-L242 HydrophobicContact CD2-CB 3.9Å; L239-L242 HydrophobicContact CD2-CD1 4.3Å; L239-L242 HydrophobicContact CD2-CG 4.5Å; L239-L259 HydrophobicContact CB-CD2 4.17Å; L239-L259 HydrophobicContact CD2-CD1 4Å; L239-L259 HydrophobicContact CD2-CD2 4.2Å; L239-K261 CarbonylContact O-C 3.59Å; L239-K261 VanDerWaalsContact O-C 3.26Å; L239-K261 WeakPolarHBondContact O-CB 3.46Å; L239-L262 HydrophobicContact CD2-CD1 4.36Å; L239-L262 PolarHBondContact O-N 3.34Å
240	E	97.7	Very high	96.1	Very high	69 Å²	69	41.1 Å²	41.1	32%	0.322	21%	0.205	S	C	.	.			trans	-115.1	-32.6	-179.8	-65.5	178.3	-167.3	0	0	111.2	V216 S238 K261 Q263 E264	V216-E240 HydrophobicContact CG1-CB 3.81Å; V216-E240 HydrophobicContact CG1-CG 3.96Å; V216-E240 PolarHBondContact O-N 3.35Å; S238-E240 PolarHBondContact O-N 3.01Å; E240-K261 HydrophobicContact CG-CB 4.28Å; E240-Q263 VanDerWaalsContact CG-NE2 3.34Å; E240-Q263 WeakPolarHBondContact O-CA 3.11Å; E240-Q263 PolarHBondContact O-N 3.3Å; E240-Q263 PolarHBondContact OE2-NE2 2.95Å; E240-E264 PolarHBondContact O-N 2.91Å
241	T	98.1	Very high	96.2	Very high	26 Å²	26	44.9 Å²	44.9	16%	0.16	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	127	174.2	-60.3	0	0	0	0	111.2	V216 V217 L218 E264	V216-T241 PolarHBondContact O-N 3.25Å; V217-T241 HydrophobicContact CG1-CG2 4.47Å; L218-T241 PolarHBondContact N-O 3.07Å; T241-E264 HydrophobicContact CG2-CB 4.21Å; T241-E264 HydrophobicContact CG2-CG 4.08Å; T241-E264 WeakPolarHBondContact CG2-OE2 3.22Å; T241-E264 PolarHBondContact OG1-OE2 3.18Å
242	L	98.1	Very high	96.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.8	171.2	177.3	60.4	0	0	0	110.3	L218 F233 L239 L244 I256 L259 L262 E264 L265 G266	L218-L242 HydrophobicContact CB-CD1 4.21Å; L218-L242 HydrophobicContact CD2-CD1 4.03Å; L218-L242 HydrophobicContact CG-CD1 4.1Å; F233-L242 HydrophobicContact CD2-CD2 4.32Å; F233-L242 HydrophobicContact CE1-CD1 4.12Å; F233-L242 HydrophobicContact CE1-CD2 4.4Å; F233-L242 HydrophobicContact CE2-CD2 3.89Å; F233-L242 HydrophobicContact CZ-CD1 4.2Å; F233-L242 HydrophobicContact CZ-CD2 3.94Å; L239-L242 HydrophobicContact CD2-CB 3.9Å; L239-L242 HydrophobicContact CD2-CD1 4.3Å; L239-L242 HydrophobicContact CD2-CG 4.5Å; L242-L244 HydrophobicContact CD1-CG 4.35Å; L242-L244 HydrophobicContact CD2-CD1 4.11Å; L242-L244 HydrophobicContact CG-CD1 4.28Å; L242-L244 HydrophobicContact CG-CG 4.27Å; L242-I256 HydrophobicContact CD2-CG2 4.01Å; L242-L259 HydrophobicContact CD2-CD1 3.86Å; L242-L262 HydrophobicContact CB-CD1 3.82Å; L242-E264 PolarHBondContact N-O 2.89Å; L242-E264 VanDerWaalsContact N-O 3.08Å; L242-L265 HydrophobicContact CB-CD1 4.31Å; L242-L265 HydrophobicContact CD2-CD1 4.15Å; L242-L265 HydrophobicContact CG-CD1 4.31Å; L242-L265 WeakPolarHBondContact O-CA 3.49Å; L242-G266 PolarHBondContact O-N 2.84Å
243	D	97.9	Very high	96.2	Very high	24 Å²	24	40.7 Å²	40.7	13%	0.128	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.9	177.9	-175.4	-3	0	0	0	111.7	L218 L220 H221 N245	L218-D243 PolarHBondContact O-N 3.23Å; L220-D243 WeakPolarHBondContact CA-O 3.31Å; L220-D243 WeakPolarHBondContact CB-O 3.11Å; L220-D243 PolarHBondContact N-O 2.94Å; H221-D243 IonicContact CD2-OD2 3.81Å; H221-D243 PolarHBondContact CD2-OD2 3.36Å; H221-D243 IonicContact CG-OD2 3.35Å; D243-N245 WeakPolarHBondContact OD1-CB 3.4Å; D243-N245 PolarHBondContact OD1-N 3.18Å; D243-N245 PolarHBondContact OD1-ND2 3.05Å
244	L	97.6	Very high	96.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.			trans	-120.2	19.9	174	-61.6	162.9	0	0	0	111.9	I204 L220 I225 M228 F233 L242 N247 L249 P253 G266 F267 N270	I204-L244 HydrophobicContact CD1-CD2 4.29Å; L220-L244 HydrophobicContact CB-CD2 3.98Å; L220-L244 HydrophobicContact CD1-CD2 3.93Å; I225-L244 HydrophobicContact CD1-CD2 4.45Å; M228-L244 HydrophobicContact CE-CD1 3.93Å; M228-L244 HydrophobicContact CE-CD2 4.23Å; F233-L244 HydrophobicContact CZ-CD1 4.25Å; F233-L244 HydrophobicContact CZ-CD2 4.33Å; L242-L244 HydrophobicContact CD1-CG 4.35Å; L242-L244 HydrophobicContact CD2-CD1 4.11Å; L242-L244 HydrophobicContact CG-CD1 4.28Å; L242-L244 HydrophobicContact CG-CG 4.27Å; L244-N247 PolarHBondContact O-ND2 2.78Å; L244-L249 HydrophobicContact CB-CD1 4.26Å; L244-L249 HydrophobicContact CD1-CD1 4.44Å; L244-P253 HydrophobicContact CD1-CB 4.42Å; L244-P253 HydrophobicContact CD1-CG 4.46Å; L244-G266 WeakPolarHBondContact CA-O 3.19Å; L244-G266 WeakPolarHBondContact CB-O 3.24Å; L244-G266 PolarHBondContact N-O 3.26Å; L244-F267 HydrophobicContact CB-CB 4.37Å; L244-N270 PolarHBondContact O-ND2 3.4Å
245	N	97.3	Very high	96.2	Very high	14 Å²	14	41.4 Å²	41.4	8%	0.075	20%	0.204	C	C	.	.			trans	-62.6	155.6	-178.6	-61.1	-36.4	0	0	0	111.8	H221 N222 D243 N247 G266 F267 H268	H221-N245 WeakPolarHBondContact CA-O 3.41Å; H221-N245 HydrophobicContact CB-CB 4.16Å; H221-N245 VanDerWaalsContact CB-O 3.3Å; H221-N245 WeakPolarHBondContact CB-O 3.47Å; N222-N245 PolarHBondContact N-O 3.25Å; N222-N245 VanDerWaalsContact N-O 3.17Å; D243-N245 WeakPolarHBondContact OD1-CB 3.4Å; D243-N245 PolarHBondContact OD1-N 3.18Å; D243-N245 PolarHBondContact OD1-ND2 3.05Å; N245-N247 PolarHBondContact O-ND2 3.1Å; N245-G266 WeakPolarHBondContact OD1-CA 3.39Å; N245-F267 WeakPolarHBondContact OD1-CA 3.34Å; N245-F267 PolarHBondContact OD1-N 3.46Å; N245-H268 CarbonylContact C-O 3.12Å; N245-H268 WeakPolarHBondContact CA-O 3.49Å; N245-H268 VanDerWaalsContact CG-NE2 3.33Å; N245-H268 PolarHBondContact ND2-CD2 3.28Å; N245-H268 VanDerWaalsContact ND2-CD2 3.33Å; N245-H268 PolarHBondContact ND2-NE2 2.99Å; N245-H268 PolarHBondContact OD1-CD2 2.86Å; N245-H268 PolarHBondContact OD1-N 2.89Å
246	Y	97.6	Very high	96.4	Very high	106 Å²	106	40.6 Å²	40.6	42%	0.416	20%	0.196	S	C	.	.	S	Bend	trans	50.4	64.8	179.5	-58.5	-81.3	0	0	0	112.6	N222 N223 H268 N269	N222-Y246 VanDerWaalsContact CA-O 3.29Å; N222-Y246 WeakPolarHBondContact CA-O 3.47Å; N222-Y246 PolarHBondContact N-O 2.78Å; N222-Y246 WeakPolarHBondContact OD1-CB 3.23Å; N223-Y246 PolarHBondContact N-O 2.95Å; Y246-H268 AromaticContact CE2-CE1 3.32Å; Y246-H268 WeakPolarHBondContact CE2-CE1 3.16Å; Y246-H268 AromaticContact CZ-CE1 3.6Å; Y246-H268 PolarHBondContact N-O 2.95Å; Y246-N269 WeakPolarHBondContact CA-O 3.36Å; Y246-N269 HydrophobicContact CD1-CB 3.57Å; Y246-N269 HydrophobicContact CE1-CB 3.74Å; Y246-N269 HydrophobicContact CG-CB 4.14Å; Y246-N269 PolarHBondContact N-O 3.15Å
247	N	97.9	Very high	96.3	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-141	175.8	179.9	-91	-85.2	0	0	0	110.6	L220 N223 I225 L244 N245 L249 N269 N270	L220-N247 PolarHBondContact O-ND2 2.57Å; N223-N247 WeakPolarHBondContact CA-OD1 3.44Å; N223-N247 WeakPolarHBondContact CB-OD1 3.39Å; N223-N247 PolarHBondContact O-OD1 3Å; I225-N247 HydrophobicContact CB-CB 4.47Å; I225-N247 WeakPolarHBondContact CB-OD1 3.42Å; I225-N247 WeakPolarHBondContact CD1-OD1 3.35Å; I225-N247 WeakPolarHBondContact CG1-OD1 3.49Å; I225-N247 PolarHBondContact N-OD1 3.41Å; L244-N247 PolarHBondContact O-ND2 2.78Å; N245-N247 PolarHBondContact O-ND2 3.1Å; N247-L249 HydrophobicContact CB-CG 4.48Å; N247-N269 PolarHBondContact N-O 3.38Å; N247-N270 WeakPolarHBondContact CA-OD1 3.22Å; N247-N270 WeakPolarHBondContact CB-OD1 3.47Å; N247-N270 PolarHBondContact N-ND2 2.91Å; N247-N270 WeakPolarHBondContact O-CA 3.42Å; N247-N270 VanDerWaalsContact O-CG 3.29Å; N247-N270 PolarHBondContact O-OD1 3.38Å
248	D	97.4	Very high	96.4	Very high	51 Å²	51	41.5 Å²	41.5	27%	0.273	20%	0.2	S	C	.	.			trans	-99.4	20.7	-174.1	-72.9	-62.5	0	0	0	113.8	H224 I225 Q226 Q250	H224-D248 WeakPolarHBondContact CA-OD2 3.26Å; H224-D248 IonicContact CG-OD2 3.38Å; H224-D248 IonicContact ND1-OD2 3.39Å; H224-D248 PolarHBondContact ND1-OD2 3.03Å; H224-D248 VanDerWaalsContact ND1-OD2 3.07Å; I225-D248 CarbonylContact O-C 3.24Å; I225-D248 VanDerWaalsContact O-C 3.26Å; I225-D248 PolarHBondContact O-N 3.49Å; Q226-D248 HydrophobicContact CG-CB 3.57Å; D248-Q250 PolarHBondContact O-N 3.18Å
249	L	96.9	Very high	96.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	19%	0.193	C	C	.	.			trans	-63.1	126.7	-172.5	-63.7	171.3	0	0	0	111.8	I225 M228 L244 N247 N270 N271 I272	I225-L249 HydrophobicContact CB-CD2 4.45Å; I225-L249 HydrophobicContact CG2-CD2 3.85Å; I225-L249 WeakPolarHBondContact O-CD2 3.4Å; I225-L249 PolarHBondContact O-N 2.99Å; I225-L249 VanDerWaalsContact O-N 3.11Å; M228-L249 HydrophobicContact CE-CD1 4.23Å; M228-L249 HydrophobicContact CE-CD2 3.85Å; L244-L249 HydrophobicContact CB-CD1 4.26Å; L244-L249 HydrophobicContact CD1-CD1 4.44Å; N247-L249 HydrophobicContact CB-CG 4.48Å; L249-N270 HydrophobicContact CB-CB 4.41Å; L249-N270 WeakPolarHBondContact CB-OD1 3.2Å; L249-N270 VanDerWaalsContact CG-OD1 3.26Å; L249-N270 WeakPolarHBondContact CG-OD1 3.5Å; L249-N270 PolarHBondContact N-OD1 2.93Å; L249-N271 CarbonylContact O-C 2.95Å; L249-N271 WeakPolarHBondContact O-CA 3.36Å; L249-N271 VanDerWaalsContact O-CB 3.3Å; L249-N271 WeakPolarHBondContact O-CB 3.33Å; L249-N271 PolarHBondContact O-N 2.94Å; L249-I272 HydrophobicContact CB-CD1 4.02Å; L249-I272 HydrophobicContact CB-CG1 4Å; L249-I272 HydrophobicContact CD1-CD1 4.4Å; L249-I272 WeakPolarHBondContact O-CG1 3.39Å; L249-I272 PolarHBondContact O-N 2.97Å
250	Q	94.8	Very high	96.3	Very high	112 Å²	112	43.7 Å²	43.7	52%	0.523	22%	0.216	S	C	.	.			trans	-96.5	-21.6	-179.6	-58.1	-178.2	37	0	0	113.5	D248 N271	D248-Q250 PolarHBondContact O-N 3.18Å; Q250-N271 HydrophobicContact CG-CB 4.44Å
251	E	95.1	Very high	96.2	Very high	162 Å²	162	44.6 Å²	44.6	76%	0.757	22%	0.219	S	C	*	.	S	Bend	trans	-127.9	153.3	-176.8	-65.1	-171.5	177.2	0	0	110.8
252	F	95.8	Very high	96.2	Very high	15 Å²	15	43.4 Å²	43.4	7%	0.066	21%	0.211	C	C	.	.			trans	-61.8	134.1	177.9	179.7	-91.6	0	0	0	111.5	M254 I256 F267 I272 I275 P276 A279 F280	F252-M254 VanDerWaalsContact C-N 3.31Å; F252-M254 HydrophobicContact CD1-CG 4.2Å; F252-M254 HydrophobicContact CD1-SD 3.9Å; F252-M254 HydrophobicContact CE1-SD 4.33Å; F252-M254 PolarHBondContact O-N 3.47Å; F252-I256 HydrophobicContact CE1-CD1 4.08Å; F252-I256 HydrophobicContact CE1-CG1 4.42Å; F252-I256 HydrophobicContact CZ-CD1 3.68Å; F252-I256 HydrophobicContact CZ-CG1 4.5Å; F252-F267 HydrophobicContact CD2-CE2 4.41Å; F252-F267 HydrophobicContact CD2-CZ 4.25Å; F252-F267 HydrophobicContact CE2-CE1 4.33Å; F252-F267 HydrophobicContact CE2-CE2 4.45Å; F252-F267 AromaticContact CE2-CZ 3.85Å; F252-F267 HydrophobicContact CE2-CZ 3.85Å; F252-I272 HydrophobicContact CB-CG2 4.35Å; F252-I275 HydrophobicContact CD2-CG1 4.46Å; F252-I275 HydrophobicContact CD2-CG2 4.41Å; F252-I275 HydrophobicContact CE2-CG2 4.3Å; F252-P276 HydrophobicContact CB-CG 4.22Å; F252-P276 HydrophobicContact CD1-CG 3.73Å; F252-P276 HydrophobicContact CE1-CG 4.36Å; F252-P276 VanDerWaalsContact CG-CD 3.47Å; F252-P276 HydrophobicContact CG-CG 4.03Å; F252-A279 HydrophobicContact CE1-CB 3.9Å; F252-A279 HydrophobicContact CE2-CB 4.19Å; F252-A279 HydrophobicContact CZ-CB 3.64Å; F252-F280 AromaticContact CE2-CE1 3.77Å; F252-F280 HydrophobicContact CE2-CE1 3.77Å; F252-F280 AromaticContact CE2-CZ 3.69Å; F252-F280 HydrophobicContact CE2-CZ 3.69Å; F252-F280 HydrophobicContact CZ-CD1 4.17Å; F252-F280 AromaticContact CZ-CE1 3.6Å; F252-F280 HydrophobicContact CZ-CE1 3.6Å; F252-F280 AromaticContact CZ-CZ 3.89Å; F252-F280 HydrophobicContact CZ-CZ 3.89Å
253	P	94.8	Very high	96.1	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.019	22%	0.222	C	C	.	.			trans	-74.1	75.6	-173.7	31.1	-37.3	0	0	0	112.6	M228 L244 A255 I256	M228-P253 HydrophobicContact CE-CB 3.89Å; M228-P253 HydrophobicContact SD-CB 3.58Å; M228-P253 VanDerWaalsContact SD-CB 3.58Å; L244-P253 HydrophobicContact CD1-CB 4.42Å; L244-P253 HydrophobicContact CD1-CG 4.46Å; P253-A255 PolarHBondContact O-N 3.28Å; P253-I256 HydrophobicContact CB-CG2 4.34Å; P253-I256 HydrophobicContact CG-CG2 4.26Å; P253-I256 WeakPolarHBondContact O-CG1 3.46Å; P253-I256 WeakPolarHBondContact O-CG2 3.43Å; P253-I256 PolarHBondContact O-N 3.35Å
254	M	94.1	Very high	96.1	Very high	85 Å²	85	48 Å²	48	42%	0.419	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-55	-20.2	-176.7	-70.8	-72.7	-82.5	0	0	114.9	F252 I256 R257 P276	F252-M254 VanDerWaalsContact C-N 3.31Å; F252-M254 HydrophobicContact CD1-CG 4.2Å; F252-M254 HydrophobicContact CD1-SD 3.9Å; F252-M254 HydrophobicContact CE1-SD 4.33Å; F252-M254 PolarHBondContact O-N 3.47Å; M254-I256 PolarHBondContact O-N 2.8Å; M254-R257 VanDerWaalsContact CE-NH1 3.31Å; M254-R257 PolarHBondContact O-N 3.08Å; M254-P276 HydrophobicContact SD-CG 3.69Å
255	A	95.2	Very high	96	Very high	5 Å²	5	48 Å²	48	4%	0.041	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-63.1	-20.3	175.1	0	0	0	0	0	114	M228 C232 F233 P253 R257 T258	M228-A255 HydrophobicContact SD-CB 4.47Å; C232-A255 WeakPolarHBondContact SG-CB 3.38Å; F233-A255 HydrophobicContact CD2-CB 3.81Å; F233-A255 HydrophobicContact CE2-CB 4.36Å; P253-A255 PolarHBondContact O-N 3.28Å; A255-R257 PolarHBondContact O-N 3.32Å; A255-R257 VanDerWaalsContact O-N 3.08Å; A255-T258 PolarHBondContact O-OG1 2.95Å
256	I	96.1	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-61.3	-18.6	178.4	67.7	172.4	0	0	0	113.4	F233 L242 F252 P253 M254 T258 L259 L265 F280 N283	F233-I256 HydrophobicContact CE2-CG2 4.48Å; L242-I256 HydrophobicContact CD2-CG2 4.01Å; F252-I256 HydrophobicContact CE1-CD1 4.08Å; F252-I256 HydrophobicContact CE1-CG1 4.42Å; F252-I256 HydrophobicContact CZ-CD1 3.68Å; F252-I256 HydrophobicContact CZ-CG1 4.5Å; P253-I256 HydrophobicContact CB-CG2 4.34Å; P253-I256 HydrophobicContact CG-CG2 4.26Å; P253-I256 WeakPolarHBondContact O-CG1 3.46Å; P253-I256 WeakPolarHBondContact O-CG2 3.43Å; P253-I256 PolarHBondContact O-N 3.35Å; M254-I256 PolarHBondContact O-N 2.8Å; I256-T258 PolarHBondContact O-N 3.43Å; I256-L259 HydrophobicContact CB-CD1 4.25Å; I256-L259 HydrophobicContact CG2-CD1 4.34Å; I256-L259 VanDerWaalsContact O-CB 3.3Å; I256-L259 WeakPolarHBondContact O-CB 3.28Å; I256-L259 PolarHBondContact O-N 3.1Å; I256-L265 HydrophobicContact CD1-CD2 3.54Å; I256-L265 HydrophobicContact CG2-CD1 4.42Å; I256-F280 HydrophobicContact CD1-CD1 3.83Å; I256-F280 HydrophobicContact CD1-CE1 4Å; I256-N283 PolarHBondContact O-ND2 2.98Å
257	R	94.3	Very high	96	Very high	95 Å²	95	42.5 Å²	42.5	36%	0.358	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-61.6	-11.2	-175.9	-74.6	177.5	165	179.2	-1.2	114.8	M254 A255 E277 R278	M254-R257 VanDerWaalsContact CE-NH1 3.31Å; M254-R257 PolarHBondContact O-N 3.08Å; A255-R257 PolarHBondContact O-N 3.32Å; A255-R257 VanDerWaalsContact O-N 3.08Å; R257-E277 PolarHBondContact NH2-O 2.98Å; R257-R278 PolarHBondContact NE-O 3.31Å; R257-R278 PolarHBondContact NH2-O 3.33Å
258	T	94.1	Very high	95.8	Very high	67 Å²	67	42.8 Å²	42.8	41%	0.411	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-84.4	-18.3	172.6	56.4	0	0	0	0	113.3	A255 I256 S260	A255-T258 PolarHBondContact O-OG1 2.95Å; I256-T258 PolarHBondContact O-N 3.43Å; T258-S260 PolarHBondContact O-N 3.17Å
259	L	96.1	Very high	95.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.216	C	C	.	.			trans	-86.8	70.8	-169.1	-54.6	175.2	0	0	0	111.7	F233 L236 L239 L242 I256 K261 L262 N283	F233-L259 HydrophobicContact CB-CD1 4.33Å; F233-L259 HydrophobicContact CB-CD2 4.14Å; F233-L259 HydrophobicContact CB-CG 4.44Å; F233-L259 HydrophobicContact CD2-CD1 4.43Å; F233-L259 HydrophobicContact CG-CD1 4.45Å; L236-L259 HydrophobicContact CB-CD2 3.71Å; L239-L259 HydrophobicContact CB-CD2 4.17Å; L239-L259 HydrophobicContact CD2-CD1 4Å; L239-L259 HydrophobicContact CD2-CD2 4.2Å; L242-L259 HydrophobicContact CD2-CD1 3.86Å; I256-L259 HydrophobicContact CB-CD1 4.25Å; I256-L259 HydrophobicContact CG2-CD1 4.34Å; I256-L259 VanDerWaalsContact O-CB 3.3Å; I256-L259 WeakPolarHBondContact O-CB 3.28Å; I256-L259 PolarHBondContact O-N 3.1Å; L259-K261 PolarHBondContact O-N 3.05Å; L259-L262 HydrophobicContact CB-CB 4.01Å; L259-L262 HydrophobicContact CB-CD2 4.34Å; L259-L262 HydrophobicContact CD1-CD1 4.42Å; L259-L262 HydrophobicContact CD1-CD2 4.23Å; L259-L262 VanDerWaalsContact O-CB 3.28Å; L259-L262 WeakPolarHBondContact O-CB 3.39Å; L259-L262 PolarHBondContact O-N 2.8Å; L259-L262 VanDerWaalsContact O-N 3.1Å; L259-N283 PolarHBondContact O-ND2 3.27Å
260	S	95.3	Very high	95.7	Very high	71 Å²	71	43.8 Å²	43.8	50%	0.497	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.9	-172.6	60.5	0	0	0	0	116	T258 G282	T258-S260 PolarHBondContact O-N 3.17Å; S260-G282 WeakPolarHBondContact CA-O 3.3Å
261	K	96.8	Very high	95.8	Very high	88 Å²	88	42 Å²	42	38%	0.383	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-0.9	174.6	-63.6	-167.6	-162.8	162.9	0	114.5	Q237 S238 L239 E240 L259 Q263	Q237-K261 VanDerWaalsContact O-CE 3.23Å; Q237-K261 WeakPolarHBondContact O-CE 3.47Å; Q237-K261 PolarHBondContact O-NZ 3.01Å; S238-K261 PolarHBondContact OG-NZ 2.98Å; L239-K261 CarbonylContact O-C 3.59Å; L239-K261 VanDerWaalsContact O-C 3.26Å; L239-K261 WeakPolarHBondContact O-CB 3.46Å; E240-K261 HydrophobicContact CG-CB 4.28Å; L259-K261 PolarHBondContact O-N 3.05Å; K261-Q263 WeakPolarHBondContact O-CG 3.38Å; K261-Q263 PolarHBondContact O-N 3.08Å
262	L	97.5	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.			trans	-59.1	125	-172.9	-163.5	67.3	0	0	0	111	L239 L242 L259 E264 L265 Q285 L286	L239-L262 HydrophobicContact CD2-CD1 4.36Å; L239-L262 PolarHBondContact O-N 3.34Å; L242-L262 HydrophobicContact CB-CD1 3.82Å; L259-L262 HydrophobicContact CB-CB 4.01Å; L259-L262 HydrophobicContact CB-CD2 4.34Å; L259-L262 HydrophobicContact CD1-CD1 4.42Å; L259-L262 HydrophobicContact CD1-CD2 4.23Å; L259-L262 VanDerWaalsContact O-CB 3.28Å; L259-L262 WeakPolarHBondContact O-CB 3.39Å; L259-L262 PolarHBondContact O-N 2.8Å; L259-L262 VanDerWaalsContact O-N 3.1Å; L262-E264 WeakPolarHBondContact CD1-O 3.48Å; L262-L265 HydrophobicContact CD2-CB 4.04Å; L262-L265 HydrophobicContact CD2-CD1 4.31Å; L262-L265 HydrophobicContact CD2-CD2 4.12Å; L262-L265 HydrophobicContact CD2-CG 4.38Å; L262-Q285 CarbonylContact O-C 3.28Å; L262-Q285 WeakPolarHBondContact O-CB 3.4Å; L262-L286 HydrophobicContact CB-CD2 4.31Å; L262-L286 HydrophobicContact CD2-CD2 4.1Å; L262-L286 HydrophobicContact CG-CD2 3.9Å; L262-L286 PolarHBondContact O-N 3.28Å; L262-L286 VanDerWaalsContact O-N 3.08Å
263	Q	96.4	Very high	95.7	Very high	51 Å²	51	39.1 Å²	39.1	24%	0.238	20%	0.196	C	C	.	.			trans	-110.5	-35.7	-178.6	-70.1	179	75.7	0	0	111.5	E240 K261 Q285 L286 Q287 T288	E240-Q263 VanDerWaalsContact CG-NE2 3.34Å; E240-Q263 WeakPolarHBondContact O-CA 3.11Å; E240-Q263 PolarHBondContact O-N 3.3Å; E240-Q263 PolarHBondContact OE2-NE2 2.95Å; K261-Q263 WeakPolarHBondContact O-CG 3.38Å; K261-Q263 PolarHBondContact O-N 3.08Å; Q263-Q285 HydrophobicContact CG-CB 4.21Å; Q263-L286 WeakPolarHBondContact O-CA 3.44Å; Q263-Q287 VanDerWaalsContact CG-NE2 3.34Å; Q263-Q287 PolarHBondContact O-N 3.07Å; Q263-T288 PolarHBondContact O-N 3.08Å
264	E	96.5	Very high	95.7	Very high	72 Å²	72	40.9 Å²	40.9	34%	0.336	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	134.4	179.3	175.3	166.3	-133.1	0	0	110.6	E240 T241 L242 L262 T288 H290	E240-E264 PolarHBondContact O-N 2.91Å; T241-E264 HydrophobicContact CG2-CB 4.21Å; T241-E264 HydrophobicContact CG2-CG 4.08Å; T241-E264 WeakPolarHBondContact CG2-OE2 3.22Å; T241-E264 PolarHBondContact OG1-OE2 3.18Å; L242-E264 PolarHBondContact N-O 2.89Å; L242-E264 VanDerWaalsContact N-O 3.08Å; L262-E264 WeakPolarHBondContact CD1-O 3.48Å; E264-T288 WeakPolarHBondContact CG-OG1 3.33Å; E264-H290 IonicContact OE1-CE1 2.67Å
265	L	97.1	Very high	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	109.8	-178.1	174.1	56.1	0	0	0	111.3	L242 I256 L262 F267 F280 L286 T288 I289 H290	L242-L265 HydrophobicContact CB-CD1 4.31Å; L242-L265 HydrophobicContact CD2-CD1 4.15Å; L242-L265 HydrophobicContact CG-CD1 4.31Å; L242-L265 WeakPolarHBondContact O-CA 3.49Å; I256-L265 HydrophobicContact CD1-CD2 3.54Å; I256-L265 HydrophobicContact CG2-CD1 4.42Å; L262-L265 HydrophobicContact CD2-CB 4.04Å; L262-L265 HydrophobicContact CD2-CD1 4.31Å; L262-L265 HydrophobicContact CD2-CD2 4.12Å; L262-L265 HydrophobicContact CD2-CG 4.38Å; L265-F267 HydrophobicContact CD1-CD1 4.09Å; L265-F267 HydrophobicContact CD2-CD1 4.2Å; L265-F267 HydrophobicContact CD2-CE1 3.89Å; L265-F267 HydrophobicContact CG-CD1 3.81Å; L265-F267 HydrophobicContact CG-CE1 3.92Å; L265-F280 HydrophobicContact CD2-CD1 4.22Å; L265-F280 HydrophobicContact CD2-CE1 3.81Å; L265-L286 HydrophobicContact CB-CD2 3.87Å; L265-T288 PolarHBondContact N-O 3.39Å; L265-I289 HydrophobicContact CB-CG2 4.35Å; L265-I289 HydrophobicContact CD2-CG2 4.34Å; L265-I289 HydrophobicContact CG-CG2 4.33Å; L265-I289 CarbonylContact O-C 3.6Å; L265-I289 WeakPolarHBondContact O-CA 3.38Å; L265-H290 PolarHBondContact O-N 2.66Å
266	G	96.3	Very high	95.7	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.4	170.6	0	0	0	0	0	112.4	L242 L244 N245	L242-G266 PolarHBondContact O-N 2.84Å; L244-G266 WeakPolarHBondContact CA-O 3.19Å; L244-G266 WeakPolarHBondContact CB-O 3.24Å; L244-G266 PolarHBondContact N-O 3.26Å; N245-G266 WeakPolarHBondContact OD1-CA 3.39Å
267	F	96.5	Very high	95.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.224	C	C	.	.			trans	-147.8	32	161.1	57.1	-86.9	0	0	0	111.6	L244 N245 F252 L265 N270 I272 F280 I289 H290 F291 N294	L244-F267 HydrophobicContact CB-CB 4.37Å; N245-F267 WeakPolarHBondContact OD1-CA 3.34Å; N245-F267 PolarHBondContact OD1-N 3.46Å; F252-F267 HydrophobicContact CD2-CE2 4.41Å; F252-F267 HydrophobicContact CD2-CZ 4.25Å; F252-F267 HydrophobicContact CE2-CE1 4.33Å; F252-F267 HydrophobicContact CE2-CE2 4.45Å; F252-F267 AromaticContact CE2-CZ 3.85Å; F252-F267 HydrophobicContact CE2-CZ 3.85Å; L265-F267 HydrophobicContact CD1-CD1 4.09Å; L265-F267 HydrophobicContact CD2-CD1 4.2Å; L265-F267 HydrophobicContact CD2-CE1 3.89Å; L265-F267 HydrophobicContact CG-CD1 3.81Å; L265-F267 HydrophobicContact CG-CE1 3.92Å; F267-N270 PolarHBondContact O-ND2 3.16Å; F267-I272 HydrophobicContact CD2-CD1 3.7Å; F267-I272 HydrophobicContact CE2-CD1 4.31Å; F267-I272 HydrophobicContact CG-CD1 4.45Å; F267-F280 HydrophobicContact CE1-CE1 4.35Å; F267-F280 HydrophobicContact CE1-CZ 4.46Å; F267-F280 HydrophobicContact CZ-CZ 4.26Å; F267-I289 HydrophobicContact CE1-CG2 3.78Å; F267-I289 HydrophobicContact CZ-CG2 4.33Å; F267-H290 CarbonylContact C-O 3.59Å; F267-H290 PolarHBondContact N-O 3.47Å; F267-F291 HydrophobicContact CD2-CB 3.69Å; F267-F291 HydrophobicContact CE1-CB 4.22Å; F267-F291 HydrophobicContact CE2-CB 3.26Å; F267-F291 HydrophobicContact CE2-CG 4.18Å; F267-F291 HydrophobicContact CG-CB 4.36Å; F267-F291 HydrophobicContact CZ-CB 3.55Å; F267-F291 HydrophobicContact CZ-CD1 4.16Å; F267-F291 HydrophobicContact CZ-CG 4.16Å; F267-N294 PolarHBondContact O-ND2 2.85Å
268	H	94.6	Very high	95.6	Very high	13 Å²	13	46 Å²	46	6%	0.06	23%	0.234	C	C	.	.			trans	-72.1	162.2	177.2	79.7	80.9	0	0	0	111.5	N245 Y246 N270 H290 Y292	N245-H268 CarbonylContact C-O 3.12Å; N245-H268 WeakPolarHBondContact CA-O 3.49Å; N245-H268 VanDerWaalsContact CG-NE2 3.33Å; N245-H268 PolarHBondContact ND2-CD2 3.28Å; N245-H268 VanDerWaalsContact ND2-CD2 3.33Å; N245-H268 PolarHBondContact ND2-NE2 2.99Å; N245-H268 PolarHBondContact OD1-CD2 2.86Å; N245-H268 PolarHBondContact OD1-N 2.89Å; Y246-H268 AromaticContact CE2-CE1 3.32Å; Y246-H268 WeakPolarHBondContact CE2-CE1 3.16Å; Y246-H268 AromaticContact CZ-CE1 3.6Å; Y246-H268 PolarHBondContact N-O 2.95Å; H268-N270 PolarHBondContact O-ND2 2.82Å; H268-H290 HydrophobicContact CB-CB 4.44Å; H268-H290 PolarHBondContact N-O 3.03Å; H268-Y292 CarbonylContact C-O 3.59Å; H268-Y292 WeakPolarHBondContact CA-O 3.32Å; H268-Y292 HydrophobicContact CB-CD1 3.89Å; H268-Y292 HydrophobicContact CB-CD2 4.06Å; H268-Y292 HydrophobicContact CB-CE1 3.9Å; H268-Y292 HydrophobicContact CB-CE2 4.08Å; H268-Y292 HydrophobicContact CB-CG 3.96Å; H268-Y292 WeakPolarHBondContact CB-O 3.19Å; H268-Y292 AromaticContact CD2-CE1 3.84Å; H268-Y292 AromaticContact CD2-CZ 3.57Å; H268-Y292 PolarHBondContact CD2-OH 2.99Å; H268-Y292 AromaticContact CE1-CE2 3.86Å; H268-Y292 AromaticContact CE1-CZ 3.77Å; H268-Y292 PolarHBondContact CE1-OH 3.11Å; H268-Y292 AromaticContact CG-CE1 3.85Å; H268-Y292 AromaticContact CG-CE2 3.73Å; H268-Y292 AromaticContact CG-CZ 3.53Å; H268-Y292 AromaticContact ND1-CE2 3.48Å; H268-Y292 WeakPolarHBondContact ND1-CE2 3.42Å; H268-Y292 AromaticContact ND1-CZ 3.65Å; H268-Y292 AromaticContact NE2-CZ 3.77Å; H268-Y292 PolarHBondContact NE2-OH 3.42Å
269	N	95.6	Very high	95.7	Very high	68 Å²	68	42.9 Å²	42.9	36%	0.364	21%	0.214	S	C	.	.	S	Bend	trans	51.4	62.1	-175.1	-162.5	108.6	0	0	0	112.1	Y246 N247 Y292 E293	Y246-N269 WeakPolarHBondContact CA-O 3.36Å; Y246-N269 HydrophobicContact CD1-CB 3.57Å; Y246-N269 HydrophobicContact CE1-CB 3.74Å; Y246-N269 HydrophobicContact CG-CB 4.14Å; Y246-N269 PolarHBondContact N-O 3.15Å; N247-N269 PolarHBondContact N-O 3.38Å; N269-Y292 PolarHBondContact N-O 2.87Å; N269-E293 VanDerWaalsContact CA-O 3.25Å; N269-E293 WeakPolarHBondContact CA-O 3.42Å; N269-E293 HydrophobicContact CB-CB 4.03Å
270	N	96.9	Very high	95.7	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	21%	0.214	C	C	.	.	S	Bend	trans	-140.7	176.8	-178.6	-90	-96.7	0	0	0	109.8	L244 N247 L249 F267 H268 I272 E293 N294 P295	L244-N270 PolarHBondContact O-ND2 3.4Å; N247-N270 WeakPolarHBondContact CA-OD1 3.22Å; N247-N270 WeakPolarHBondContact CB-OD1 3.47Å; N247-N270 PolarHBondContact N-ND2 2.91Å; N247-N270 WeakPolarHBondContact O-CA 3.42Å; N247-N270 VanDerWaalsContact O-CG 3.29Å; N247-N270 PolarHBondContact O-OD1 3.38Å; L249-N270 HydrophobicContact CB-CB 4.41Å; L249-N270 WeakPolarHBondContact CB-OD1 3.2Å; L249-N270 VanDerWaalsContact CG-OD1 3.26Å; L249-N270 WeakPolarHBondContact CG-OD1 3.5Å; L249-N270 PolarHBondContact N-OD1 2.93Å; F267-N270 PolarHBondContact O-ND2 3.16Å; H268-N270 PolarHBondContact O-ND2 2.82Å; N270-I272 HydrophobicContact CB-CD1 4.46Å; N270-I272 HydrophobicContact CB-CG1 4.43Å; N270-E293 PolarHBondContact N-O 3.03Å; N270-N294 WeakPolarHBondContact CA-OD1 3.44Å; N270-N294 WeakPolarHBondContact CB-OD1 3.46Å; N270-N294 WeakPolarHBondContact O-CA 3.4Å; N270-N294 PolarHBondContact O-OD1 2.78Å; N270-N294 VanDerWaalsContact O-OD1 3.11Å; N270-P295 VanDerWaalsContact O-CD 3.32Å; N270-P295 WeakPolarHBondContact O-CD 3.17Å
271	N	96.4	Very high	95.6	Very high	75 Å²	75	43.8 Å²	43.8	40%	0.401	22%	0.217	S	C	.	.			trans	-99	20.9	-175.4	-68.2	-72.8	0	0	0	113.9	L249 Q250 K273	L249-N271 CarbonylContact O-C 2.95Å; L249-N271 WeakPolarHBondContact O-CA 3.36Å; L249-N271 VanDerWaalsContact O-CB 3.3Å; L249-N271 WeakPolarHBondContact O-CB 3.33Å; L249-N271 PolarHBondContact O-N 2.94Å; Q250-N271 HydrophobicContact CG-CB 4.44Å; N271-K273 PolarHBondContact O-N 2.85Å
272	I	95.5	Very high	95.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.			trans	-76.4	123.9	-170.5	-59.7	169.6	0	0	0	111	L249 F252 F267 N270 N294 P295 I296	L249-I272 HydrophobicContact CB-CD1 4.02Å; L249-I272 HydrophobicContact CB-CG1 4Å; L249-I272 HydrophobicContact CD1-CD1 4.4Å; L249-I272 WeakPolarHBondContact O-CG1 3.39Å; L249-I272 PolarHBondContact O-N 2.97Å; F252-I272 HydrophobicContact CB-CG2 4.35Å; F267-I272 HydrophobicContact CD2-CD1 3.7Å; F267-I272 HydrophobicContact CE2-CD1 4.31Å; F267-I272 HydrophobicContact CG-CD1 4.45Å; N270-I272 HydrophobicContact CB-CD1 4.46Å; N270-I272 HydrophobicContact CB-CG1 4.43Å; I272-N294 VanDerWaalsContact CB-OD1 3.29Å; I272-N294 WeakPolarHBondContact CB-OD1 3.46Å; I272-N294 PolarHBondContact N-OD1 3.08Å; I272-P295 CarbonylContact O-C 3.1Å; I272-I296 WeakPolarHBondContact O-CG1 3.33Å; I272-I296 PolarHBondContact O-N 2.97Å
273	K	93.4	Very high	95.4	Very high	116 Å²	116	40.5 Å²	40.5	50%	0.504	21%	0.207	S	C	.	.			trans	-95.1	-16.2	-173.8	-64.5	169.8	-170.2	166.2	0	115.2	N271 P295 Q297 F298	N271-K273 PolarHBondContact O-N 2.85Å; K273-P295 WeakPolarHBondContact CA-O 3.17Å; K273-P295 HydrophobicContact CG-CG 4.22Å; K273-Q297 PolarHBondContact O-N 2.78Å; K273-F298 PolarHBondContact O-N 3.08Å
274	A	94.3	Very high	95.4	Very high	40 Å²	40	40.6 Å²	40.6	33%	0.331	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	139.2	-175.1	0	0	0	0	0	112.8	F298	A274-F298 CarbonylContact C-O 3.52Å; A274-F298 VanDerWaalsContact CA-O 3.26Å; A274-F298 WeakPolarHBondContact CA-O 3.43Å; A274-F298 HydrophobicContact CB-CB 4.24Å; A274-F298 HydrophobicContact CB-CD1 4.24Å
275	I	95	Very high	95.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.6	165.9	-59.3	-179.6	0	0	0	108	F252 A279 F280 F291 I296 F298 V299 G300 A303 F304	F252-I275 HydrophobicContact CD2-CG1 4.46Å; F252-I275 HydrophobicContact CD2-CG2 4.41Å; F252-I275 HydrophobicContact CE2-CG2 4.3Å; I275-A279 HydrophobicContact CG2-CB 3.64Å; I275-F280 HydrophobicContact CG2-CE2 4.16Å; I275-F280 HydrophobicContact CG2-CZ 4.5Å; I275-F291 HydrophobicContact CD1-CD2 4.48Å; I275-F291 HydrophobicContact CD1-CE2 4.43Å; I275-F291 HydrophobicContact CD1-CZ 4.44Å; I275-I296 HydrophobicContact CD1-CD1 4.09Å; I275-I296 HydrophobicContact CG1-CD1 4.32Å; I275-F298 PolarHBondContact N-O 3.29Å; I275-V299 HydrophobicContact CB-CG1 4.41Å; I275-V299 HydrophobicContact CB-CG2 4.27Å; I275-V299 HydrophobicContact CD1-CG2 4.41Å; I275-V299 WeakPolarHBondContact O-CA 3.43Å; I275-G300 PolarHBondContact O-N 3.37Å; I275-A303 HydrophobicContact CG2-CB 3.85Å; I275-F304 HydrophobicContact CD1-CE2 4.41Å; I275-F304 HydrophobicContact CD1-CZ 3.92Å
276	P	94.8	Very high	95.3	Very high	37 Å²	37	40.5 Å²	40.5	24%	0.24	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-75.5	164.2	-174.2	30.1	-34.8	0	0	0	113	F252 M254 A279	F252-P276 HydrophobicContact CB-CG 4.22Å; F252-P276 HydrophobicContact CD1-CG 3.73Å; F252-P276 HydrophobicContact CE1-CG 4.36Å; F252-P276 VanDerWaalsContact CG-CD 3.47Å; F252-P276 HydrophobicContact CG-CG 4.03Å; M254-P276 HydrophobicContact SD-CG 3.69Å; P276-A279 HydrophobicContact CG-CB 4.35Å; P276-A279 WeakPolarHBondContact O-CB 3.37Å; P276-A279 PolarHBondContact O-N 3.27Å
277	E	94.4	Very high	95.2	Very high	109 Å²	109	43.1 Å²	43.1	51%	0.509	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	139.5	170.1	-85.4	-155.1	-127.6	0	0	112.4	R257 A279 S302	R257-E277 PolarHBondContact NH2-O 2.98Å; E277-A279 PolarHBondContact O-N 3.12Å; E277-S302 VanDerWaalsContact CB-OG 3.29Å; E277-S302 WeakPolarHBondContact CB-OG 3.48Å; E277-S302 VanDerWaalsContact CG-OG 3.29Å; E277-S302 WeakPolarHBondContact CG-OG 3.36Å; E277-S302 PolarHBondContact OE2-OG 3.06Å
278	R	94.3	Very high	94.9	Very high	148 Å²	148	45.4 Å²	45.4	56%	0.558	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	37.9	-176.2	-52.9	-179.6	-171.1	143.8	8.5	112.5	R257 F280 V281 S302	R257-R278 PolarHBondContact NE-O 3.31Å; R257-R278 PolarHBondContact NH2-O 3.33Å; R278-F280 PolarHBondContact O-N 3Å; R278-V281 HydrophobicContact CB-CB 4.05Å; R278-V281 HydrophobicContact CB-CG1 4.11Å; R278-V281 VanDerWaalsContact O-CG1 3.27Å; R278-V281 WeakPolarHBondContact O-CG1 3.44Å; R278-S302 WeakPolarHBondContact CA-O 3.41Å; R278-S302 WeakPolarHBondContact CG-OG 3.48Å; R278-S302 PolarHBondContact N-O 3.19Å; R278-S302 PolarHBondContact N-OG 3.42Å
279	A	95.2	Very high	94.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-61	179	0	0	0	0	0	111.9	F252 I275 P276 E277 V281 A303	F252-A279 HydrophobicContact CE1-CB 3.9Å; F252-A279 HydrophobicContact CE2-CB 4.19Å; F252-A279 HydrophobicContact CZ-CB 3.64Å; I275-A279 HydrophobicContact CG2-CB 3.64Å; P276-A279 HydrophobicContact CG-CB 4.35Å; P276-A279 WeakPolarHBondContact O-CB 3.37Å; P276-A279 PolarHBondContact O-N 3.27Å; E277-A279 PolarHBondContact O-N 3.12Å; A279-V281 PolarHBondContact O-N 3.48Å; A279-A303 HydrophobicContact CB-CB 4.27Å
280	F	96	Very high	94.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	17.1	-170.9	-51.3	-71.5	0	0	0	114.3	F252 I256 L265 F267 I275 R278 G282 N283 L286 I289 A303 F304 L307	F252-F280 AromaticContact CE2-CE1 3.77Å; F252-F280 HydrophobicContact CE2-CE1 3.77Å; F252-F280 AromaticContact CE2-CZ 3.69Å; F252-F280 HydrophobicContact CE2-CZ 3.69Å; F252-F280 HydrophobicContact CZ-CD1 4.17Å; F252-F280 AromaticContact CZ-CE1 3.6Å; F252-F280 HydrophobicContact CZ-CE1 3.6Å; F252-F280 AromaticContact CZ-CZ 3.89Å; F252-F280 HydrophobicContact CZ-CZ 3.89Å; I256-F280 HydrophobicContact CD1-CD1 3.83Å; I256-F280 HydrophobicContact CD1-CE1 4Å; L265-F280 HydrophobicContact CD2-CD1 4.22Å; L265-F280 HydrophobicContact CD2-CE1 3.81Å; F267-F280 HydrophobicContact CE1-CE1 4.35Å; F267-F280 HydrophobicContact CE1-CZ 4.46Å; F267-F280 HydrophobicContact CZ-CZ 4.26Å; I275-F280 HydrophobicContact CG2-CE2 4.16Å; I275-F280 HydrophobicContact CG2-CZ 4.5Å; R278-F280 PolarHBondContact O-N 3Å; F280-G282 PolarHBondContact O-N 3.01Å; F280-N283 PolarHBondContact O-N 3.27Å; F280-L286 HydrophobicContact CB-CD1 4.05Å; F280-L286 HydrophobicContact CD1-CD1 3.77Å; F280-L286 HydrophobicContact CG-CD1 4.11Å; F280-I289 HydrophobicContact CD1-CD1 4.34Å; F280-I289 HydrophobicContact CD2-CD1 4.32Å; F280-I289 HydrophobicContact CE1-CD1 4.23Å; F280-I289 HydrophobicContact CE1-CG2 4.21Å; F280-I289 HydrophobicContact CE2-CD1 4.24Å; F280-I289 HydrophobicContact CG-CD1 4.39Å; F280-I289 HydrophobicContact CZ-CD1 4.18Å; F280-I289 HydrophobicContact CZ-CG2 4.21Å; F280-A303 WeakPolarHBondContact CD2-O 3.41Å; F280-F304 AromaticContact CD2-CD1 3.91Å; F280-F304 HydrophobicContact CD2-CD1 3.91Å; F280-F304 AromaticContact CD2-CE1 3.97Å; F280-F304 HydrophobicContact CD2-CE1 3.97Å; F280-F304 AromaticContact CE2-CD1 3.79Å; F280-F304 HydrophobicContact CE2-CD1 3.79Å; F280-F304 AromaticContact CE2-CE1 3.36Å; F280-F304 HydrophobicContact CE2-CE1 3.36Å; F280-F304 AromaticContact CE2-CZ 3.91Å; F280-F304 HydrophobicContact CE2-CZ 3.91Å; F280-F304 HydrophobicContact CZ-CE1 4.2Å; F280-L307 HydrophobicContact CB-CD1 4.13Å; F280-L307 HydrophobicContact CB-CD2 3.94Å; F280-L307 HydrophobicContact CD2-CD1 4.26Å; F280-L307 HydrophobicContact CG-CD1 4.42Å
281	V	94.1	Very high	94.5	Very high	91 Å²	91	45.6 Å²	45.6	55%	0.552	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-19.6	-175.2	72.4	0	0	0	0	114.1	R278 A279	R278-V281 HydrophobicContact CB-CB 4.05Å; R278-V281 HydrophobicContact CB-CG1 4.11Å; R278-V281 VanDerWaalsContact O-CG1 3.27Å; R278-V281 WeakPolarHBondContact O-CG1 3.44Å; A279-V281 PolarHBondContact O-N 3.48Å
282	G	93.9	Very high	94.1	Very high	18 Å²	18	46 Å²	46	19%	0.186	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.1	173.9	0	0	0	0	0	114.4	S260 F280 P284	S260-G282 WeakPolarHBondContact CA-O 3.3Å; F280-G282 PolarHBondContact O-N 3.01Å; G282-P284 VanDerWaalsContact C-CD 3.4Å; G282-P284 WeakPolarHBondContact O-CD 3.23Å
283	N	96.4	Very high	93.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.			trans	-127.3	53.2	-161.9	-49.4	100.4	0	0	0	113	I256 L259 F280 Q285 L286	I256-N283 PolarHBondContact O-ND2 2.98Å; L259-N283 PolarHBondContact O-ND2 3.27Å; F280-N283 PolarHBondContact O-N 3.27Å; N283-Q285 PolarHBondContact O-N 3.17Å; N283-L286 HydrophobicContact CB-CD1 3.59Å; N283-L286 HydrophobicContact CB-CG 3.93Å; N283-L286 WeakPolarHBondContact O-CG 3.48Å; N283-L286 PolarHBondContact O-N 2.8Å
284	P	95.4	Very high	93.7	Very high	54 Å²	54	45.7 Å²	45.7	35%	0.351	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	9.1	-169.9	34.5	-39.9	0	0	0	114.8	G282	G282-P284 VanDerWaalsContact C-CD 3.4Å; G282-P284 WeakPolarHBondContact O-CD 3.23Å
285	Q	96	Very high	93.7	Very high	69 Å²	69	46.7 Å²	46.7	32%	0.322	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-1.1	178.5	-65.1	-57.4	-66.8	0	0	113.6	L262 Q263 N283 Q287	L262-Q285 CarbonylContact O-C 3.28Å; L262-Q285 WeakPolarHBondContact O-CB 3.4Å; Q263-Q285 HydrophobicContact CG-CB 4.21Å; N283-Q285 PolarHBondContact O-N 3.17Å; Q285-Q287 PolarHBondContact O-N 3.16Å; Q285-Q287 PolarHBondContact O-NE2 3.05Å
286	L	96.5	Very high	93.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.			trans	-57.6	130.6	-179.4	-74.2	170.2	0	0	0	111.9	L262 Q263 L265 F280 N283 I289 L307 K309 L310	L262-L286 HydrophobicContact CB-CD2 4.31Å; L262-L286 HydrophobicContact CD2-CD2 4.1Å; L262-L286 HydrophobicContact CG-CD2 3.9Å; L262-L286 PolarHBondContact O-N 3.28Å; L262-L286 VanDerWaalsContact O-N 3.08Å; Q263-L286 WeakPolarHBondContact O-CA 3.44Å; L265-L286 HydrophobicContact CB-CD2 3.87Å; F280-L286 HydrophobicContact CB-CD1 4.05Å; F280-L286 HydrophobicContact CD1-CD1 3.77Å; F280-L286 HydrophobicContact CG-CD1 4.11Å; N283-L286 HydrophobicContact CB-CD1 3.59Å; N283-L286 HydrophobicContact CB-CG 3.93Å; N283-L286 WeakPolarHBondContact O-CG 3.48Å; N283-L286 PolarHBondContact O-N 2.8Å; L286-I289 HydrophobicContact CB-CG1 4.43Å; L286-I289 HydrophobicContact CD1-CD1 3.91Å; L286-I289 HydrophobicContact CD1-CG1 4.2Å; L286-I289 HydrophobicContact CD2-CG1 4.48Å; L286-L307 HydrophobicContact CD1-CD2 4.47Å; L286-K309 CarbonylContact O-C 3.26Å; L286-K309 VanDerWaalsContact O-C 3.3Å; L286-K309 WeakPolarHBondContact O-CB 3.49Å; L286-L310 PolarHBondContact O-N 2.98Å
287	Q	93.9	Very high	93.4	Very high	58 Å²	58	50.5 Å²	50.5	27%	0.271	25%	0.252	S	S	.	.	S	Bend	trans	-112.3	-40.4	177.4	-76.7	155.3	82	0	0	110.9	Q263 Q285 K309 H311	Q263-Q287 VanDerWaalsContact CG-NE2 3.34Å; Q263-Q287 PolarHBondContact O-N 3.07Å; Q285-Q287 PolarHBondContact O-N 3.16Å; Q285-Q287 PolarHBondContact O-NE2 3.05Å; Q287-K309 WeakPolarHBondContact CA-O 3.45Å; Q287-K309 HydrophobicContact CG-CB 3.77Å; Q287-K309 HydrophobicContact CG-CD 4.13Å; Q287-K309 HydrophobicContact CG-CG 4.48Å; Q287-H311 PolarHBondContact O-N 2.98Å
288	T	90.7	Very high	93.2	Very high	48 Å²	48	50 Å²	50	29%	0.294	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.4	179.1	51.4	0	0	0	0	110.5	Q263 E264 L265	Q263-T288 PolarHBondContact O-N 3.08Å; E264-T288 WeakPolarHBondContact CG-OG1 3.33Å; L265-T288 PolarHBondContact N-O 3.39Å
289	I	94.4	Very high	93.2	Very high	17 Å²	17	43.5 Å²	43.5	9%	0.087	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	115.7	173.2	-42.8	174.3	0	0	0	107.5	L265 F267 F280 L286 F291 F304 L307 L310	L265-I289 HydrophobicContact CB-CG2 4.35Å; L265-I289 HydrophobicContact CD2-CG2 4.34Å; L265-I289 HydrophobicContact CG-CG2 4.33Å; L265-I289 CarbonylContact O-C 3.6Å; L265-I289 WeakPolarHBondContact O-CA 3.38Å; F267-I289 HydrophobicContact CE1-CG2 3.78Å; F267-I289 HydrophobicContact CZ-CG2 4.33Å; F280-I289 HydrophobicContact CD1-CD1 4.34Å; F280-I289 HydrophobicContact CD2-CD1 4.32Å; F280-I289 HydrophobicContact CE1-CD1 4.23Å; F280-I289 HydrophobicContact CE1-CG2 4.21Å; F280-I289 HydrophobicContact CE2-CD1 4.24Å; F280-I289 HydrophobicContact CG-CD1 4.39Å; F280-I289 HydrophobicContact CZ-CD1 4.18Å; F280-I289 HydrophobicContact CZ-CG2 4.21Å; L286-I289 HydrophobicContact CB-CG1 4.43Å; L286-I289 HydrophobicContact CD1-CD1 3.91Å; L286-I289 HydrophobicContact CD1-CG1 4.2Å; L286-I289 HydrophobicContact CD2-CG1 4.48Å; I289-F291 HydrophobicContact CB-CD1 4.32Å; I289-F291 HydrophobicContact CG2-CD1 3.84Å; I289-F291 HydrophobicContact CG2-CE1 4.39Å; I289-F304 HydrophobicContact CD1-CD1 4.5Å; I289-F304 HydrophobicContact CD1-CE1 4.21Å; I289-L307 HydrophobicContact CD1-CD1 4.26Å; I289-L310 HydrophobicContact CD1-CD1 3.91Å; I289-L310 HydrophobicContact CG1-CD1 3.84Å
290	H	91.3	Very high	93.1	Very high	61 Å²	61	43.5 Å²	43.5	28%	0.282	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	110.7	-177.5	-56.7	146	0	0	0	109.6	E264 L265 F267 H268 Y292	E264-H290 IonicContact OE1-CE1 2.67Å; L265-H290 PolarHBondContact O-N 2.66Å; F267-H290 CarbonylContact C-O 3.59Å; F267-H290 PolarHBondContact N-O 3.47Å; H268-H290 HydrophobicContact CB-CB 4.44Å; H268-H290 PolarHBondContact N-O 3.03Å; H290-Y292 HydrophobicContact CB-CD1 4.4Å; H290-Y292 HydrophobicContact CB-CE1 3.92Å
291	F	93.1	Very high	92.9	Very high	14 Å²	14	48.2 Å²	48.2	6%	0.061	25%	0.245	C	C	.	.			trans	-138.5	13.6	-177.4	60.7	-106.3	0	0	0	114.4	F267 I275 I289 N294 I296 F304 L313 S314 L315	F267-F291 HydrophobicContact CD2-CB 3.69Å; F267-F291 HydrophobicContact CE1-CB 4.22Å; F267-F291 HydrophobicContact CE2-CB 3.26Å; F267-F291 HydrophobicContact CE2-CG 4.18Å; F267-F291 HydrophobicContact CG-CB 4.36Å; F267-F291 HydrophobicContact CZ-CB 3.55Å; F267-F291 HydrophobicContact CZ-CD1 4.16Å; F267-F291 HydrophobicContact CZ-CG 4.16Å; I275-F291 HydrophobicContact CD1-CD2 4.48Å; I275-F291 HydrophobicContact CD1-CE2 4.43Å; I275-F291 HydrophobicContact CD1-CZ 4.44Å; I289-F291 HydrophobicContact CB-CD1 4.32Å; I289-F291 HydrophobicContact CG2-CD1 3.84Å; I289-F291 HydrophobicContact CG2-CE1 4.39Å; F291-N294 WeakPolarHBondContact O-CB 3.18Å; F291-N294 PolarHBondContact O-ND2 3.31Å; F291-I296 HydrophobicContact CD2-CD1 3.48Å; F291-I296 VanDerWaalsContact CD2-CD1 3.48Å; F291-I296 HydrophobicContact CE2-CD1 4.05Å; F291-I296 HydrophobicContact CG-CD1 4.29Å; F291-F304 HydrophobicContact CE1-CE1 4.16Å; F291-F304 AromaticContact CE1-CZ 3.92Å; F291-F304 HydrophobicContact CE1-CZ 3.92Å; F291-F304 HydrophobicContact CZ-CZ 4.02Å; F291-L313 HydrophobicContact CE1-CD1 4.31Å; F291-L313 HydrophobicContact CZ-CD1 4.05Å; F291-S314 WeakPolarHBondContact CE2-O 3.36Å; F291-S314 WeakPolarHBondContact CZ-O 3.31Å; F291-L315 HydrophobicContact CE2-CD2 3.71Å; F291-L315 HydrophobicContact CE2-CG 4.43Å; F291-L315 HydrophobicContact CZ-CD2 3.74Å; F291-L315 HydrophobicContact CZ-CG 4.19Å
292	Y	88.4	Confident	92.9	Very high	85 Å²	85	44.3 Å²	44.3	33%	0.333	22%	0.222	S	C	.	.			trans	-60.9	170.3	172.7	57	-88.1	0	0	0	111.9	H268 N269 H290 N294	H268-Y292 CarbonylContact C-O 3.59Å; H268-Y292 WeakPolarHBondContact CA-O 3.32Å; H268-Y292 HydrophobicContact CB-CD1 3.89Å; H268-Y292 HydrophobicContact CB-CD2 4.06Å; H268-Y292 HydrophobicContact CB-CE1 3.9Å; H268-Y292 HydrophobicContact CB-CE2 4.08Å; H268-Y292 HydrophobicContact CB-CG 3.96Å; H268-Y292 WeakPolarHBondContact CB-O 3.19Å; H268-Y292 AromaticContact CD2-CE1 3.84Å; H268-Y292 AromaticContact CD2-CZ 3.57Å; H268-Y292 PolarHBondContact CD2-OH 2.99Å; H268-Y292 AromaticContact CE1-CE2 3.86Å; H268-Y292 AromaticContact CE1-CZ 3.77Å; H268-Y292 PolarHBondContact CE1-OH 3.11Å; H268-Y292 AromaticContact CG-CE1 3.85Å; H268-Y292 AromaticContact CG-CE2 3.73Å; H268-Y292 AromaticContact CG-CZ 3.53Å; H268-Y292 AromaticContact ND1-CE2 3.48Å; H268-Y292 WeakPolarHBondContact ND1-CE2 3.42Å; H268-Y292 AromaticContact ND1-CZ 3.65Å; H268-Y292 AromaticContact NE2-CZ 3.77Å; H268-Y292 PolarHBondContact NE2-OH 3.42Å; N269-Y292 PolarHBondContact N-O 2.87Å; H290-Y292 HydrophobicContact CB-CD1 4.4Å; H290-Y292 HydrophobicContact CB-CE1 3.92Å; Y292-N294 PolarHBondContact O-N 3.24Å; Y292-N294 VanDerWaalsContact O-N 3.12Å; Y292-N294 PolarHBondContact O-ND2 3.17Å
293	E	88.7	Confident	92.9	Very high	87 Å²	87	43.6 Å²	43.6	41%	0.407	21%	0.214	S	C	.	.	S	Bend	trans	46.5	38.3	-167.6	-57	-38	105.3	0	0	114	N269 N270 N523	N269-E293 VanDerWaalsContact CA-O 3.25Å; N269-E293 WeakPolarHBondContact CA-O 3.42Å; N269-E293 HydrophobicContact CB-CB 4.03Å; N270-E293 PolarHBondContact N-O 3.03Å; E293-N523 PolarHBondContact OE1-ND2 3.13Å; E293-N523 PolarHBondContact OE2-ND2 3.18Å; E293-N523 VanDerWaalsContact OE2-ND2 3.08Å
294	N	91.9	Very high	92.8	Very high	21 Å²	21	43.6 Å²	43.6	11%	0.112	21%	0.214	C	C	.	.	S	Bend	trans	-116.8	142.4	164.5	-80.1	-97.3	0	0	0	109.4	F267 N270 I272 F291 Y292 I296	F267-N294 PolarHBondContact O-ND2 2.85Å; N270-N294 WeakPolarHBondContact CA-OD1 3.44Å; N270-N294 WeakPolarHBondContact CB-OD1 3.46Å; N270-N294 WeakPolarHBondContact O-CA 3.4Å; N270-N294 PolarHBondContact O-OD1 2.78Å; N270-N294 VanDerWaalsContact O-OD1 3.11Å; I272-N294 VanDerWaalsContact CB-OD1 3.29Å; I272-N294 WeakPolarHBondContact CB-OD1 3.46Å; I272-N294 PolarHBondContact N-OD1 3.08Å; F291-N294 WeakPolarHBondContact O-CB 3.18Å; F291-N294 PolarHBondContact O-ND2 3.31Å; Y292-N294 PolarHBondContact O-N 3.24Å; Y292-N294 VanDerWaalsContact O-N 3.12Å; Y292-N294 PolarHBondContact O-ND2 3.17Å; N294-I296 HydrophobicContact CB-CD1 3.99Å; N294-I296 HydrophobicContact CB-CG1 3.74Å; N294-I296 PolarHBondContact O-N 3.49Å
295	P	92.8	Very high	92.8	Very high	61 Å²	61	43 Å²	43	40%	0.396	21%	0.207	S	C	.	.			trans	-77.4	51.8	177.8	35.1	-37.8	0	0	0	112	N270 I272 K273 Q297	N270-P295 VanDerWaalsContact O-CD 3.32Å; N270-P295 WeakPolarHBondContact O-CD 3.17Å; I272-P295 CarbonylContact O-C 3.1Å; K273-P295 WeakPolarHBondContact CA-O 3.17Å; K273-P295 HydrophobicContact CG-CG 4.22Å; P295-Q297 PolarHBondContact O-N 3.39Å
296	I	92	Very high	92.7	Very high	13 Å²	13	45.2 Å²	45.2	7%	0.067	22%	0.216	C	C	.	.			trans	-68.6	112.3	-176.5	-61.5	169	0	0	0	109.4	I272 I275 F291 N294 V299 A318	I272-I296 WeakPolarHBondContact O-CG1 3.33Å; I272-I296 PolarHBondContact O-N 2.97Å; I275-I296 HydrophobicContact CD1-CD1 4.09Å; I275-I296 HydrophobicContact CG1-CD1 4.32Å; F291-I296 HydrophobicContact CD2-CD1 3.48Å; F291-I296 VanDerWaalsContact CD2-CD1 3.48Å; F291-I296 HydrophobicContact CE2-CD1 4.05Å; F291-I296 HydrophobicContact CG-CD1 4.29Å; N294-I296 HydrophobicContact CB-CD1 3.99Å; N294-I296 HydrophobicContact CB-CG1 3.74Å; N294-I296 PolarHBondContact O-N 3.49Å; I296-V299 HydrophobicContact CG2-CG2 3.91Å; I296-A318 WeakPolarHBondContact O-CA 3.43Å
297	Q	91.1	Very high	92.6	Very high	105 Å²	105	45.3 Å²	45.3	49%	0.491	22%	0.216	S	C	.	.			trans	-95.4	-35.3	177	-66.7	175.3	1.7	0	0	111.4	K273 P295 A318 Q320	K273-Q297 PolarHBondContact O-N 2.78Å; P295-Q297 PolarHBondContact O-N 3.39Å; Q297-A318 CarbonylContact O-C 3.51Å; Q297-Q320 HydrophobicContact CB-CG 4.18Å; Q297-Q320 WeakPolarHBondContact O-CA 3.45Å; Q297-Q320 WeakPolarHBondContact O-CB 3.42Å; Q297-Q320 WeakPolarHBondContact O-CG 3.47Å; Q297-Q320 PolarHBondContact O-N 2.83Å
298	F	91.8	Very high	92.7	Very high	97 Å²	97	45.4 Å²	45.4	43%	0.425	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.8	-173.2	175.1	-94.2	0	0	0	112.7	K273 A274 I275 Q320	K273-F298 PolarHBondContact O-N 3.08Å; A274-F298 CarbonylContact C-O 3.52Å; A274-F298 VanDerWaalsContact CA-O 3.26Å; A274-F298 WeakPolarHBondContact CA-O 3.43Å; A274-F298 HydrophobicContact CB-CB 4.24Å; A274-F298 HydrophobicContact CB-CD1 4.24Å; I275-F298 PolarHBondContact N-O 3.29Å; F298-Q320 HydrophobicContact CB-CB 4.36Å; F298-Q320 HydrophobicContact CD2-CB 4.44Å
299	V	93.9	Very high	92.9	Very high	12 Å²	12	46.6 Å²	46.6	7%	0.073	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127.1	170.5	176	0	0	0	0	108.6	I275 I296 A303 F304 L315 I321	I275-V299 HydrophobicContact CB-CG1 4.41Å; I275-V299 HydrophobicContact CB-CG2 4.27Å; I275-V299 HydrophobicContact CD1-CG2 4.41Å; I275-V299 WeakPolarHBondContact O-CA 3.43Å; I296-V299 HydrophobicContact CG2-CG2 3.91Å; V299-A303 HydrophobicContact CG1-CB 4.01Å; V299-F304 HydrophobicContact CG1-CD2 4.2Å; V299-F304 HydrophobicContact CG1-CE2 3.78Å; V299-L315 HydrophobicContact CG2-CD2 3.84Å; V299-I321 HydrophobicContact CB-CD1 3.8Å; V299-I321 HydrophobicContact CB-CG1 4.19Å; V299-I321 HydrophobicContact CG2-CD1 3.83Å; V299-I321 HydrophobicContact CG2-CG1 4.48Å
300	G	92.4	Very high	92.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.219	C	C	.	.			trans	-65.9	133.9	175.3	0	0	0	0	0	111.6	I275 S302 A303	I275-G300 PolarHBondContact O-N 3.37Å; G300-S302 PolarHBondContact O-N 3.46Å; G300-A303 WeakPolarHBondContact O-CB 3.1Å; G300-A303 PolarHBondContact O-N 2.83Å
301	K	91.7	Very high	93	Very high	102 Å²	102	46.7 Å²	46.7	44%	0.443	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.5	-175.3	-172.1	169.3	-173.2	170.6	0	114.1	E323 D326	K301-E323 IonicContact NZ-OE2 3.77Å; K301-E323 PolarHBondContact NZ-OE2 2.87Å; K301-D326 HydrophobicContact CG-CB 4.21Å; K301-D326 WeakPolarHBondContact O-CB 3.42Å; K301-D326 PolarHBondContact O-N 2.84Å
302	S	94.1	Very high	93	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.063	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	13.4	178.9	66.1	0	0	0	0	114.7	E277 R278 G300	E277-S302 VanDerWaalsContact CB-OG 3.29Å; E277-S302 WeakPolarHBondContact CB-OG 3.48Å; E277-S302 VanDerWaalsContact CG-OG 3.29Å; E277-S302 WeakPolarHBondContact CG-OG 3.36Å; E277-S302 PolarHBondContact OE2-OG 3.06Å; R278-S302 WeakPolarHBondContact CA-O 3.41Å; R278-S302 WeakPolarHBondContact CG-OG 3.48Å; R278-S302 PolarHBondContact N-O 3.19Å; R278-S302 PolarHBondContact N-OG 3.42Å; G300-S302 PolarHBondContact O-N 3.46Å
303	A	94.8	Very high	93.2	Very high	2 Å²	2	45.3 Å²	45.3	2%	0.017	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-43.3	-174	0	0	0	0	0	113.6	I275 A279 F280 V299 G300	I275-A303 HydrophobicContact CG2-CB 3.85Å; A279-A303 HydrophobicContact CB-CB 4.27Å; F280-A303 WeakPolarHBondContact CD2-O 3.41Å; V299-A303 HydrophobicContact CG1-CB 4.01Å; G300-A303 WeakPolarHBondContact O-CB 3.1Å; G300-A303 PolarHBondContact O-N 2.83Å
304	F	94.8	Very high	93.3	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	19.3	-171.8	-63.6	-78.1	0	0	0	114	I275 F280 I289 F291 V299 L307 L310 L313 L315 L327 T330	I275-F304 HydrophobicContact CD1-CE2 4.41Å; I275-F304 HydrophobicContact CD1-CZ 3.92Å; F280-F304 AromaticContact CD2-CD1 3.91Å; F280-F304 HydrophobicContact CD2-CD1 3.91Å; F280-F304 AromaticContact CD2-CE1 3.97Å; F280-F304 HydrophobicContact CD2-CE1 3.97Å; F280-F304 AromaticContact CE2-CD1 3.79Å; F280-F304 HydrophobicContact CE2-CD1 3.79Å; F280-F304 AromaticContact CE2-CE1 3.36Å; F280-F304 HydrophobicContact CE2-CE1 3.36Å; F280-F304 AromaticContact CE2-CZ 3.91Å; F280-F304 HydrophobicContact CE2-CZ 3.91Å; F280-F304 HydrophobicContact CZ-CE1 4.2Å; I289-F304 HydrophobicContact CD1-CD1 4.5Å; I289-F304 HydrophobicContact CD1-CE1 4.21Å; F291-F304 HydrophobicContact CE1-CE1 4.16Å; F291-F304 AromaticContact CE1-CZ 3.92Å; F291-F304 HydrophobicContact CE1-CZ 3.92Å; F291-F304 HydrophobicContact CZ-CZ 4.02Å; V299-F304 HydrophobicContact CG1-CD2 4.2Å; V299-F304 HydrophobicContact CG1-CE2 3.78Å; F304-L307 HydrophobicContact CB-CD1 4.43Å; F304-L307 HydrophobicContact CD1-CD1 4.08Å; F304-L310 HydrophobicContact CD1-CD2 4.41Å; F304-L313 HydrophobicContact CB-CD2 4.46Å; F304-L313 HydrophobicContact CD1-CD1 3.94Å; F304-L313 HydrophobicContact CD1-CD2 4.48Å; F304-L313 HydrophobicContact CD2-CD1 4.26Å; F304-L313 HydrophobicContact CD2-CD2 4.23Å; F304-L313 HydrophobicContact CE1-CD1 3.57Å; F304-L313 HydrophobicContact CE2-CD1 3.92Å; F304-L313 HydrophobicContact CG-CD1 4.27Å; F304-L313 HydrophobicContact CG-CD2 4.16Å; F304-L313 HydrophobicContact CZ-CD1 3.57Å; F304-L315 HydrophobicContact CE2-CD1 4.19Å; F304-L315 HydrophobicContact CE2-CD2 4.36Å; F304-L327 HydrophobicContact CB-CD2 3.86Å; F304-T330 PolarHBondContact O-OG1 2.93Å
305	Q	94.2	Very high	93.1	Very high	40 Å²	40	42.5 Å²	42.5	19%	0.187	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	150	172.6	-69.5	176.4	-19.7	0	0	111.4	L307 D326	Q305-L307 PolarHBondContact O-N 2.91Å; Q305-D326 HydrophobicContact CG-CB 4.27Å; Q305-D326 VanDerWaalsContact CG-O 3.25Å; Q305-D326 WeakPolarHBondContact CG-O 3.41Å; Q305-D326 PolarHBondContact NE2-OD2 3.13Å
306	F	94.2	Very high	92.7	Very high	117 Å²	117	43 Å²	43	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	40.8	172.2	-50.5	-74.4	0	0	0	115.6	P308 K328 T330	F306-P308 WeakPolarHBondContact O-CD 3.48Å; F306-K328 PolarHBondContact N-O 3.49Å; F306-T330 PolarHBondContact N-OG1 2.97Å
307	L	95.5	Very high	92.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	23%	0.228	C	C	.	.			trans	-109.5	69.6	173.1	-57.7	178.3	0	0	0	110.6	F280 L286 I289 F304 Q305 K309 L310 T330	F280-L307 HydrophobicContact CB-CD1 4.13Å; F280-L307 HydrophobicContact CB-CD2 3.94Å; F280-L307 HydrophobicContact CD2-CD1 4.26Å; F280-L307 HydrophobicContact CG-CD1 4.42Å; L286-L307 HydrophobicContact CD1-CD2 4.47Å; I289-L307 HydrophobicContact CD1-CD1 4.26Å; F304-L307 HydrophobicContact CB-CD1 4.43Å; F304-L307 HydrophobicContact CD1-CD1 4.08Å; Q305-L307 PolarHBondContact O-N 2.91Å; L307-K309 PolarHBondContact O-N 3.06Å; L307-L310 HydrophobicContact CB-CB 3.97Å; L307-L310 HydrophobicContact CD1-CD2 4.08Å; L307-L310 PolarHBondContact O-N 3.11Å; L307-L310 VanDerWaalsContact O-N 3.08Å; L307-T330 HydrophobicContact CB-CG2 3.97Å; L307-T330 PolarHBondContact N-OG1 2.87Å; L307-T330 WeakPolarHBondContact O-CG2 3.28Å
308	P	94.6	Very high	91.8	Very high	61 Å²	61	39 Å²	39	40%	0.396	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	7.7	-168.8	32.6	-40.4	0	0	0	115	F306 G329 S332	F306-P308 WeakPolarHBondContact O-CD 3.48Å; P308-G329 WeakPolarHBondContact CA-O 3.35Å; P308-S332 PolarHBondContact O-OG 3.07Å; P308-S332 VanDerWaalsContact O-OG 3.06Å
309	K	95.2	Very high	91.5	Very high	73 Å²	73	38.2 Å²	38.2	32%	0.317	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-4.2	176.8	-77.3	-176.4	162.8	-176.2	0	113.4	L286 Q287 L307 H311	L286-K309 CarbonylContact O-C 3.26Å; L286-K309 VanDerWaalsContact O-C 3.3Å; L286-K309 WeakPolarHBondContact O-CB 3.49Å; Q287-K309 WeakPolarHBondContact CA-O 3.45Å; Q287-K309 HydrophobicContact CG-CB 3.77Å; Q287-K309 HydrophobicContact CG-CD 4.13Å; Q287-K309 HydrophobicContact CG-CG 4.48Å; L307-K309 PolarHBondContact O-N 3.06Å; K309-H311 PolarHBondContact O-CD2 3.18Å; K309-H311 PolarHBondContact O-N 2.85Å
310	L	95.5	Very high	91.1	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.228	C	C	.	.			trans	-70	119.1	-177.5	-174.8	70	0	0	0	109.7	L286 I289 F304 L307 T312 L313 T330 S332 L333	L286-L310 PolarHBondContact O-N 2.98Å; I289-L310 HydrophobicContact CD1-CD1 3.91Å; I289-L310 HydrophobicContact CG1-CD1 3.84Å; F304-L310 HydrophobicContact CD1-CD2 4.41Å; L307-L310 HydrophobicContact CB-CB 3.97Å; L307-L310 HydrophobicContact CD1-CD2 4.08Å; L307-L310 PolarHBondContact O-N 3.11Å; L307-L310 VanDerWaalsContact O-N 3.08Å; L310-T312 WeakPolarHBondContact CD1-O 3.5Å; L310-L313 HydrophobicContact CD2-CB 4.34Å; L310-T330 HydrophobicContact CB-CG2 4.08Å; L310-T330 HydrophobicContact CD2-CG2 4.05Å; L310-S332 CarbonylContact O-C 3.55Å; L310-S332 VanDerWaalsContact O-C 3.26Å; L310-L333 HydrophobicContact CB-CD2 4.44Å; L310-L333 HydrophobicContact CD2-CD2 4.05Å; L310-L333 HydrophobicContact CG-CD2 3.92Å; L310-L333 WeakPolarHBondContact O-CA 3.32Å; L310-L333 WeakPolarHBondContact O-CD2 3.46Å; L310-L333 PolarHBondContact O-N 2.7Å
311	H	93.2	Very high	90.8	Very high	79 Å²	79	43.1 Å²	43.1	37%	0.366	23%	0.231	S	C	.	.			trans	-92.9	-31.2	-178.1	-73	-86	0	0	0	113.4	Q287 K309 E334 I335	Q287-H311 PolarHBondContact O-N 2.98Å; K309-H311 PolarHBondContact O-CD2 3.18Å; K309-H311 PolarHBondContact O-N 2.85Å; H311-E334 IonicContact ND1-OE1 3.23Å; H311-E334 PolarHBondContact ND1-OE1 3.07Å; H311-E334 PolarHBondContact O-N 3.4Å; H311-I335 PolarHBondContact O-N 3.01Å; H311-I335 VanDerWaalsContact O-N 3.13Å
312	T	91.4	Very high	90.4	Very high	65 Å²	65	44.9 Å²	44.9	40%	0.399	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.7	-176.2	-59.2	0	0	0	0	110.6	L310 I335	L310-T312 WeakPolarHBondContact CD1-O 3.5Å; T312-I335 WeakPolarHBondContact CA-O 3.42Å; T312-I335 HydrophobicContact CG2-CB 4.11Å; T312-I335 HydrophobicContact CG2-CG2 4.13Å
313	L	92.8	Very high	90.2	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	117.8	169.4	176.2	57.5	0	0	0	109.3	F291 F304 L310 L315 L327 L333 I335 L336 T337	F291-L313 HydrophobicContact CE1-CD1 4.31Å; F291-L313 HydrophobicContact CZ-CD1 4.05Å; F304-L313 HydrophobicContact CB-CD2 4.46Å; F304-L313 HydrophobicContact CD1-CD1 3.94Å; F304-L313 HydrophobicContact CD1-CD2 4.48Å; F304-L313 HydrophobicContact CD2-CD1 4.26Å; F304-L313 HydrophobicContact CD2-CD2 4.23Å; F304-L313 HydrophobicContact CE1-CD1 3.57Å; F304-L313 HydrophobicContact CE2-CD1 3.92Å; F304-L313 HydrophobicContact CG-CD1 4.27Å; F304-L313 HydrophobicContact CG-CD2 4.16Å; F304-L313 HydrophobicContact CZ-CD1 3.57Å; L310-L313 HydrophobicContact CD2-CB 4.34Å; L313-L315 HydrophobicContact CD1-CD1 4.14Å; L313-L315 HydrophobicContact CD1-CG 4.12Å; L313-L315 HydrophobicContact CD2-CD1 4.34Å; L313-L315 HydrophobicContact CG-CD1 4.23Å; L313-L315 HydrophobicContact CG-CG 4.47Å; L313-L327 HydrophobicContact CD2-CD2 3.83Å; L313-L333 HydrophobicContact CB-CD2 3.8Å; L313-I335 PolarHBondContact N-O 3.41Å; L313-L336 HydrophobicContact CB-CD1 4.03Å; L313-L336 HydrophobicContact CD2-CD1 3.9Å; L313-L336 HydrophobicContact CG-CD1 3.99Å; L313-L336 WeakPolarHBondContact O-CA 3.45Å; L313-T337 PolarHBondContact O-N 3.37Å
314	S	90.6	Very high	90	Very high	46 Å²	46	51.2 Å²	51.2	32%	0.322	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.9	179.5	-176.6	0	0	0	0	111.4	F291 T337	F291-S314 WeakPolarHBondContact CE2-O 3.36Å; F291-S314 WeakPolarHBondContact CZ-O 3.31Å; S314-T337 CarbonylContact C-O 3.54Å; S314-T337 WeakPolarHBondContact CA-O 3.39Å
315	L	88.3	Confident	89.9	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.016	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	83.7	-171	-78.5	169.8	0	0	0	109.9	F291 V299 F304 L313 T337 L338 T339	F291-L315 HydrophobicContact CE2-CD2 3.71Å; F291-L315 HydrophobicContact CE2-CG 4.43Å; F291-L315 HydrophobicContact CZ-CD2 3.74Å; F291-L315 HydrophobicContact CZ-CG 4.19Å; V299-L315 HydrophobicContact CG2-CD2 3.84Å; F304-L315 HydrophobicContact CE2-CD1 4.19Å; F304-L315 HydrophobicContact CE2-CD2 4.36Å; L313-L315 HydrophobicContact CD1-CD1 4.14Å; L313-L315 HydrophobicContact CD1-CG 4.12Å; L313-L315 HydrophobicContact CD2-CD1 4.34Å; L313-L315 HydrophobicContact CG-CD1 4.23Å; L313-L315 HydrophobicContact CG-CG 4.47Å; L315-T337 PolarHBondContact N-O 2.96Å; L315-L338 HydrophobicContact CB-CB 4.38Å; L315-L338 HydrophobicContact CB-CG 3.94Å; L315-L338 HydrophobicContact CD1-CD1 4.14Å; L315-L338 HydrophobicContact CD1-CG 4.29Å; L315-L338 CarbonylContact O-C 3.36Å; L315-L338 WeakPolarHBondContact O-CA 3.44Å; L315-T339 PolarHBondContact O-N 3.26Å
316	N	84.8	Confident	89.8	Confident	71 Å²	71	51.8 Å²	51.8	38%	0.38	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.9	-177.3	-66	-15.4	0	0	0	111.6	A318 T337 T339	N316-A318 PolarHBondContact O-N 2.78Å; N316-T337 WeakPolarHBondContact OD1-CG2 3.18Å; N316-T339 VanDerWaalsContact CG-OG1 3.29Å; N316-T339 PolarHBondContact OD1-OG1 3.02Å
317	G	79	Confident	89.7	Confident	33 Å²	33	46.2 Å²	46.2	34%	0.34	25%	0.249	S	C	.	.	S	Bend	trans	78.8	12.6	171.7	0	0	0	0	0	115.9	T319 T339	G317-T319 PolarHBondContact O-N 3.13Å; G317-T339 PolarHBondContact N-O 2.81Å
318	A	86.1	Confident	89.5	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.008	28%	0.275	C	S	.	.			trans	-77.9	65.2	-175	0	0	0	0	0	113.1	I296 Q297 N316 Q320 I321	I296-A318 WeakPolarHBondContact O-CA 3.43Å; Q297-A318 CarbonylContact O-C 3.51Å; N316-A318 PolarHBondContact O-N 2.78Å; A318-Q320 PolarHBondContact O-N 3.32Å; A318-I321 HydrophobicContact CB-CD1 3.44Å; A318-I321 VanDerWaalsContact CB-CD1 3.44Å; A318-I321 HydrophobicContact CB-CG1 3.83Å; A318-I321 WeakPolarHBondContact O-CB 3.28Å; A318-I321 WeakPolarHBondContact O-CG1 3.48Å; A318-I321 PolarHBondContact O-N 3.21Å
319	T	84.7	Confident	89.3	Confident	81 Å²	81	50.7 Å²	50.7	50%	0.497	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-17.3	-168.8	56.5	0	0	0	0	117.2	G317	G317-T319 PolarHBondContact O-N 3.13Å
320	Q	86.1	Confident	89.3	Confident	106 Å²	106	47.2 Å²	47.2	50%	0.495	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.1	176.8	-51.1	-60.5	-61.5	0	0	113.5	Q297 F298 A318 Q322	Q297-Q320 HydrophobicContact CB-CG 4.18Å; Q297-Q320 WeakPolarHBondContact O-CA 3.45Å; Q297-Q320 WeakPolarHBondContact O-CB 3.42Å; Q297-Q320 WeakPolarHBondContact O-CG 3.47Å; Q297-Q320 PolarHBondContact O-N 2.83Å; F298-Q320 HydrophobicContact CB-CB 4.36Å; F298-Q320 HydrophobicContact CD2-CB 4.44Å; A318-Q320 PolarHBondContact O-N 3.32Å; Q320-Q322 PolarHBondContact O-N 3.25Å
321	I	85.4	Confident	89.1	Confident	10 Å²	10	50 Å²	50	5%	0.051	27%	0.272	C	S	.	.			trans	-75	108.6	171.2	-57.9	-178.5	0	0	0	108.5	V299 A318 E323 A341 G342 L343	V299-I321 HydrophobicContact CB-CD1 3.8Å; V299-I321 HydrophobicContact CB-CG1 4.19Å; V299-I321 HydrophobicContact CG2-CD1 3.83Å; V299-I321 HydrophobicContact CG2-CG1 4.48Å; A318-I321 HydrophobicContact CB-CD1 3.44Å; A318-I321 VanDerWaalsContact CB-CD1 3.44Å; A318-I321 HydrophobicContact CB-CG1 3.83Å; A318-I321 WeakPolarHBondContact O-CB 3.28Å; A318-I321 WeakPolarHBondContact O-CG1 3.48Å; A318-I321 PolarHBondContact O-N 3.21Å; I321-E323 WeakPolarHBondContact CG2-O 3.43Å; I321-A341 HydrophobicContact CB-CB 4.3Å; I321-G342 CarbonylContact O-C 3.19Å; I321-G342 WeakPolarHBondContact O-CA 3.39Å; I321-G342 PolarHBondContact O-N 3.08Å; I321-L343 HydrophobicContact CG2-CD2 3.8Å
322	Q	84	Confident	89.1	Confident	139 Å²	139	47.9 Å²	47.9	65%	0.65	27%	0.266	S	S	*	.			trans	-101.8	-27.1	175.4	-62.4	177.9	11.5	0	0	112.7	Q320	Q320-Q322 PolarHBondContact O-N 3.25Å
323	E	88.8	Confident	89.3	Confident	127 Å²	127	44.8 Å²	44.8	59%	0.593	25%	0.247	S	C	*	.	S	Bend	trans	-115.4	145.6	177.3	-66.1	-174.3	-177.6	0	0	110.4	K301 I321	K301-E323 IonicContact NZ-OE2 3.77Å; K301-E323 PolarHBondContact NZ-OE2 2.87Å; I321-E323 WeakPolarHBondContact CG2-O 3.43Å
324	F	91.4	Very high	89.4	Confident	17 Å²	17	47.6 Å²	47.6	8%	0.075	26%	0.26	C	S	.	.			trans	-61.5	138.4	175.5	-171.8	-88	0	0	0	111.3	L327 L336 L343 L346 P347 L350	F324-L327 HydrophobicContact CE1-CD1 3.89Å; F324-L327 HydrophobicContact CE1-CG 4.35Å; F324-L327 HydrophobicContact CZ-CD1 3.94Å; F324-L336 HydrophobicContact CE2-CD2 3.98Å; F324-L336 HydrophobicContact CZ-CD2 3.68Å; F324-L343 HydrophobicContact CB-CD2 4.4Å; F324-L343 HydrophobicContact CD2-CD1 4.19Å; F324-L346 HydrophobicContact CD2-CD2 3.77Å; F324-L346 HydrophobicContact CE2-CD2 4.2Å; F324-P347 HydrophobicContact CB-CG 4.47Å; F324-P347 HydrophobicContact CD1-CG 3.65Å; F324-P347 HydrophobicContact CE1-CG 4.12Å; F324-P347 HydrophobicContact CG-CG 4.13Å; F324-L350 HydrophobicContact CE1-CD1 3.65Å; F324-L350 HydrophobicContact CE2-CD1 4.16Å; F324-L350 HydrophobicContact CZ-CD1 3.37Å
325	P	92	Very high	89.6	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.052	26%	0.26	C	S	.	.			trans	-65.7	147.9	-178.4	27.3	-35.7	0	0	0	112.4	L327 L338	P325-L327 PolarHBondContact O-N 3.28Å; P325-L338 HydrophobicContact CG-CD1 4.07Å
326	D	92.3	Very high	89.9	Confident	44 Å²	44	48.3 Å²	48.3	24%	0.235	26%	0.26	C	S	.	.			trans	-81.5	109.1	175.7	-177.2	-2.8	0	0	0	110	K301 Q305 K328	K301-D326 HydrophobicContact CG-CB 4.21Å; K301-D326 WeakPolarHBondContact O-CB 3.42Å; K301-D326 PolarHBondContact O-N 2.84Å; Q305-D326 HydrophobicContact CG-CB 4.27Å; Q305-D326 VanDerWaalsContact CG-O 3.25Å; Q305-D326 WeakPolarHBondContact CG-O 3.41Å; Q305-D326 PolarHBondContact NE2-OD2 3.13Å; D326-K328 WeakPolarHBondContact OD1-CB 3.48Å; D326-K328 PolarHBondContact OD1-N 2.78Å
327	L	93	Very high	90.3	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.248	C	C	.	.			trans	-98.9	19.2	-177.6	-61	175.5	0	0	0	112.4	F304 L313 F324 P325 G329 T330 L333 L336 L354	F304-L327 HydrophobicContact CB-CD2 3.86Å; L313-L327 HydrophobicContact CD2-CD2 3.83Å; F324-L327 HydrophobicContact CE1-CD1 3.89Å; F324-L327 HydrophobicContact CE1-CG 4.35Å; F324-L327 HydrophobicContact CZ-CD1 3.94Å; P325-L327 PolarHBondContact O-N 3.28Å; L327-G329 PolarHBondContact O-N 2.7Å; L327-G329 VanDerWaalsContact O-N 3.14Å; L327-T330 VanDerWaalsContact O-CB 3.28Å; L327-T330 WeakPolarHBondContact O-CB 3.29Å; L327-T330 PolarHBondContact O-N 2.6Å; L327-L333 HydrophobicContact CD1-CD1 3.98Å; L327-L333 HydrophobicContact CD2-CD1 4.44Å; L327-L336 HydrophobicContact CD1-CD2 4.25Å; L327-L354 HydrophobicContact CB-CD2 4.3Å; L327-L354 HydrophobicContact CD1-CD1 3.96Å; L327-L354 HydrophobicContact CD1-CD2 4.16Å
328	K	91.2	Very high	90.9	Very high	127 Å²	127	44.4 Å²	44.4	55%	0.552	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	119.5	178.3	-178.4	169.8	-171.7	163.5	0	112.5	F306 D326	F306-K328 PolarHBondContact N-O 3.49Å; D326-K328 WeakPolarHBondContact OD1-CB 3.48Å; D326-K328 PolarHBondContact OD1-N 2.78Å
329	G	90.5	Very high	91.2	Very high	28 Å²	28	44.8 Å²	44.8	29%	0.289	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	6.4	-178.1	0	0	0	0	0	114.8	P308 L327	P308-G329 WeakPolarHBondContact CA-O 3.35Å; L327-G329 PolarHBondContact O-N 2.7Å; L327-G329 VanDerWaalsContact O-N 3.14Å
330	T	94.1	Very high	91.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.			trans	-110.3	56.4	-179.7	-56.6	0	0	0	0	109.3	F304 F306 L307 L310 L327 S332 L333	F304-T330 PolarHBondContact O-OG1 2.93Å; F306-T330 PolarHBondContact N-OG1 2.97Å; L307-T330 HydrophobicContact CB-CG2 3.97Å; L307-T330 PolarHBondContact N-OG1 2.87Å; L307-T330 WeakPolarHBondContact O-CG2 3.28Å; L310-T330 HydrophobicContact CB-CG2 4.08Å; L310-T330 HydrophobicContact CD2-CG2 4.05Å; L327-T330 VanDerWaalsContact O-CB 3.28Å; L327-T330 WeakPolarHBondContact O-CB 3.29Å; L327-T330 PolarHBondContact O-N 2.6Å; T330-S332 PolarHBondContact O-N 3.06Å; T330-L333 HydrophobicContact CG2-CD1 3.92Å; T330-L333 HydrophobicContact CG2-CG 4.08Å
331	T	91.3	Very high	91.5	Very high	61 Å²	61	41 Å²	41	37%	0.374	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-6.9	-163.5	53	0	0	0	0	115.5
332	S	93.8	Very high	91.6	Very high	33 Å²	33	41.2 Å²	41.2	23%	0.231	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	10.3	-171.5	-63.7	0	0	0	0	114.3	P308 L310 T330 E334	P308-S332 PolarHBondContact O-OG 3.07Å; P308-S332 VanDerWaalsContact O-OG 3.06Å; L310-S332 CarbonylContact O-C 3.55Å; L310-S332 VanDerWaalsContact O-C 3.26Å; T330-S332 PolarHBondContact O-N 3.06Å; S332-E334 PolarHBondContact O-N 3.33Å
333	L	94.9	Very high	92	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.			trans	-63.7	122.7	175.6	-76.5	169.2	0	0	0	110.9	L310 L313 L327 T330 L354 H356 L357	L310-L333 HydrophobicContact CB-CD2 4.44Å; L310-L333 HydrophobicContact CD2-CD2 4.05Å; L310-L333 HydrophobicContact CG-CD2 3.92Å; L310-L333 WeakPolarHBondContact O-CA 3.32Å; L310-L333 WeakPolarHBondContact O-CD2 3.46Å; L310-L333 PolarHBondContact O-N 2.7Å; L313-L333 HydrophobicContact CB-CD2 3.8Å; L327-L333 HydrophobicContact CD1-CD1 3.98Å; L327-L333 HydrophobicContact CD2-CD1 4.44Å; T330-L333 HydrophobicContact CG2-CD1 3.92Å; T330-L333 HydrophobicContact CG2-CG 4.08Å; L333-L354 HydrophobicContact CB-CD2 4.33Å; L333-L354 HydrophobicContact CD1-CD2 3.92Å; L333-H356 CarbonylContact O-C 3.53Å; L333-L357 HydrophobicContact CB-CD1 4.38Å; L333-L357 WeakPolarHBondContact O-CA 3.18Å; L333-L357 PolarHBondContact O-N 2.86Å
334	E	94.9	Very high	92.1	Very high	64 Å²	64	31.8 Å²	31.8	30%	0.299	18%	0.176	S	C	.	.	S	Bend	trans	-96.3	-31.4	168.9	-73	-176.2	-122	0	0	111.3	H311 S332 R358 V359	H311-E334 IonicContact ND1-OE1 3.23Å; H311-E334 PolarHBondContact ND1-OE1 3.07Å; H311-E334 PolarHBondContact O-N 3.4Å; S332-E334 PolarHBondContact O-N 3.33Å; E334-R358 HydrophobicContact CB-CG 4.46Å; E334-R358 WeakPolarHBondContact O-CA 3.34Å; E334-R358 WeakPolarHBondContact O-CB 3.39Å; E334-R358 PolarHBondContact O-N 3.06Å; E334-R358 WeakPolarHBondContact OE2-CD 3.26Å; E334-R358 IonicContact OE2-CZ 2.77Å; E334-R358 IonicContact OE2-NE 3.33Å; E334-R358 IonicContact OE2-NH1 3.47Å; E334-R358 PolarHBondContact OE2-NH1 3.11Å; E334-V359 PolarHBondContact O-N 3.36Å
335	I	94.6	Very high	92.2	Very high	63 Å²	63	33.7 Å²	33.7	32%	0.323	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	121.1	-177.8	-58.6	176.3	0	0	0	109.6	H311 T312 L313 V359	H311-I335 PolarHBondContact O-N 3.01Å; H311-I335 VanDerWaalsContact O-N 3.13Å; T312-I335 WeakPolarHBondContact CA-O 3.42Å; T312-I335 HydrophobicContact CG2-CB 4.11Å; T312-I335 HydrophobicContact CG2-CG2 4.13Å; L313-I335 PolarHBondContact N-O 3.41Å; I335-V359 HydrophobicContact CG1-CB 4.3Å; I335-V359 HydrophobicContact CG1-CG2 4.38Å; I335-V359 HydrophobicContact CG2-CB 4.32Å
336	L	94.9	Very high	92.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.2	171	179.2	62.4	0	0	0	110.1	L313 F324 L327 L354 L357 V359 L360 E361	L313-L336 HydrophobicContact CB-CD1 4.03Å; L313-L336 HydrophobicContact CD2-CD1 3.9Å; L313-L336 HydrophobicContact CG-CD1 3.99Å; L313-L336 WeakPolarHBondContact O-CA 3.45Å; F324-L336 HydrophobicContact CE2-CD2 3.98Å; F324-L336 HydrophobicContact CZ-CD2 3.68Å; L327-L336 HydrophobicContact CD1-CD2 4.25Å; L336-L354 HydrophobicContact CD2-CD1 3.94Å; L336-L357 HydrophobicContact CB-CD1 3.75Å; L336-L357 HydrophobicContact CB-CD2 4.47Å; L336-V359 PolarHBondContact N-O 3.43Å; L336-L360 HydrophobicContact CB-CD1 4.33Å; L336-L360 HydrophobicContact CD2-CD1 3.96Å; L336-L360 HydrophobicContact CG-CD1 4.28Å; L336-L360 WeakPolarHBondContact O-CA 3.34Å; L336-E361 PolarHBondContact O-N 3Å
337	T	93.4	Very high	92.3	Very high	22 Å²	22	33.7 Å²	33.7	14%	0.135	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.3	176.4	-58.8	0	0	0	0	108.4	L313 S314 L315 N316 T339 E361	L313-T337 PolarHBondContact O-N 3.37Å; S314-T337 CarbonylContact C-O 3.54Å; S314-T337 WeakPolarHBondContact CA-O 3.39Å; L315-T337 PolarHBondContact N-O 2.96Å; N316-T337 WeakPolarHBondContact OD1-CG2 3.18Å; T337-T339 HydrophobicContact CG2-CG2 3.87Å; T337-E361 CarbonylContact C-O 3.02Å; T337-E361 WeakPolarHBondContact CA-O 3.41Å; T337-E361 HydrophobicContact CG2-CB 4.16Å; T337-E361 HydrophobicContact CG2-CG 3.9Å
338	L	92.5	Very high	92.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	86.5	176.7	-161.1	168.6	0	0	0	109.3	L315 P325 A341 L343 E361 L362 N365	L315-L338 HydrophobicContact CB-CB 4.38Å; L315-L338 HydrophobicContact CB-CG 3.94Å; L315-L338 HydrophobicContact CD1-CD1 4.14Å; L315-L338 HydrophobicContact CD1-CG 4.29Å; L315-L338 CarbonylContact O-C 3.36Å; L315-L338 WeakPolarHBondContact O-CA 3.44Å; P325-L338 HydrophobicContact CG-CD1 4.07Å; L338-A341 HydrophobicContact CD2-CB 3.6Å; L338-L343 HydrophobicContact CD1-CD1 4.12Å; L338-L343 HydrophobicContact CD2-CD1 3.72Å; L338-L343 HydrophobicContact CD2-CG 4.11Å; L338-L343 HydrophobicContact CG-CD1 4.42Å; L338-E361 PolarHBondContact N-O 2.8Å; L338-L362 HydrophobicContact CB-CD2 3.98Å; L338-N365 PolarHBondContact O-ND2 2.86Å
339	T	91.4	Very high	92.1	Very high	9 Å²	9	37.9 Å²	37.9	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	156.7	-169.6	68.7	0	0	0	0	112.6	L315 N316 G317 T337 A341 E361 S363	L315-T339 PolarHBondContact O-N 3.26Å; N316-T339 VanDerWaalsContact CG-OG1 3.29Å; N316-T339 PolarHBondContact OD1-OG1 3.02Å; G317-T339 PolarHBondContact N-O 2.81Å; T337-T339 HydrophobicContact CG2-CG2 3.87Å; T339-A341 VanDerWaalsContact C-N 3.28Å; T339-A341 PolarHBondContact O-N 3.45Å; T339-E361 HydrophobicContact CG2-CG 3.81Å; T339-S363 VanDerWaalsContact CA-O 3.31Å; T339-S363 WeakPolarHBondContact CA-O 3.41Å; T339-S363 WeakPolarHBondContact CG2-OG 3.06Å
340	R	89.3	Confident	92.2	Very high	100 Å²	100	36.6 Å²	36.6	38%	0.377	21%	0.21	S	C	.	.	S	Bend	trans	57.4	40.3	172.1	-56.6	176.1	-175.5	-72.3	-1.7	112.5	S363 Y364 D525	R340-S363 PolarHBondContact N-O 3.39Å; R340-Y364 VanDerWaalsContact CA-O 3.3Å; R340-Y364 WeakPolarHBondContact CA-O 3.29Å; R340-Y364 HydrophobicContact CG-CD2 4.3Å; R340-Y364 HydrophobicContact CG-CG 4.05Å; R340-D525 IonicContact CZ-OD1 2.65Å; R340-D525 IonicContact NE-OD1 3.24Å; R340-D525 IonicContact NH2-OD1 3.86Å; R340-D525 PolarHBondContact NH2-OD1 3.35Å; R340-D525 IonicContact NH2-OD2 3.83Å; R340-D525 PolarHBondContact NH2-OD2 2.9Å
341	A	88.6	Confident	92	Very high	8 Å²	8	36.9 Å²	36.9	7%	0.066	21%	0.212	C	C	.	.	S	Bend	trans	-117.3	-175.3	178.8	0	0	0	0	0	111.9	I321 L338 T339 N365	I321-A341 HydrophobicContact CB-CB 4.3Å; L338-A341 HydrophobicContact CD2-CB 3.6Å; T339-A341 VanDerWaalsContact C-N 3.28Å; T339-A341 PolarHBondContact O-N 3.45Å; A341-N365 VanDerWaalsContact C-OD1 3.24Å; A341-N365 WeakPolarHBondContact CA-OD1 3.49Å; A341-N365 WeakPolarHBondContact CB-OD1 3.24Å; A341-N365 PolarHBondContact N-OD1 3.07Å; A341-N365 PolarHBondContact O-OD1 3.04Å
342	G	87.7	Confident	92	Very high	14 Å²	14	40.9 Å²	40.9	14%	0.144	23%	0.226	C	C	.	.			trans	-98.5	22.6	-176.9	0	0	0	0	0	114.6	I321 S344	I321-G342 CarbonylContact O-C 3.19Å; I321-G342 WeakPolarHBondContact O-CA 3.39Å; I321-G342 PolarHBondContact O-N 3.08Å; G342-S344 PolarHBondContact O-N 3.08Å
343	L	91.9	Very high	91.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.			trans	-66.9	123.3	-175.3	-64.8	-175.1	0	0	0	111.9	I321 F324 L338 L362 N365 Q366 I367	I321-L343 HydrophobicContact CG2-CD2 3.8Å; F324-L343 HydrophobicContact CB-CD2 4.4Å; F324-L343 HydrophobicContact CD2-CD1 4.19Å; L338-L343 HydrophobicContact CD1-CD1 4.12Å; L338-L343 HydrophobicContact CD2-CD1 3.72Å; L338-L343 HydrophobicContact CD2-CG 4.11Å; L338-L343 HydrophobicContact CG-CD1 4.42Å; L343-L362 HydrophobicContact CD1-CD2 4.49Å; L343-N365 HydrophobicContact CB-CB 4.19Å; L343-N365 WeakPolarHBondContact CB-OD1 3.11Å; L343-N365 PolarHBondContact N-OD1 3.11Å; L343-Q366 CarbonylContact O-C 3.59Å; L343-Q366 VanDerWaalsContact O-CA 3.24Å; L343-Q366 WeakPolarHBondContact O-CA 3.37Å; L343-Q366 WeakPolarHBondContact O-CB 3.41Å; L343-Q366 PolarHBondContact O-N 3.3Å; L343-I367 HydrophobicContact CB-CG1 4.35Å; L343-I367 PolarHBondContact O-N 3.21Å
344	S	91.5	Very high	91.7	Very high	68 Å²	68	41 Å²	41	48%	0.476	22%	0.223	S	C	.	.			trans	-99.9	-21.3	176.9	55.2	0	0	0	0	114.5	G342 I367 E368	G342-S344 PolarHBondContact O-N 3.08Å; S344-I367 WeakPolarHBondContact O-CA 3.28Å; S344-E368 PolarHBondContact O-N 2.87Å
345	A	92.4	Very high	91.4	Very high	58 Å²	58	40.3 Å²	40.3	48%	0.479	22%	0.224	S	C	.	.			trans	-154.9	158.1	-179.2	0	0	0	0	0	111.9
346	L	93.3	Very high	91.4	Very high	17 Å²	17	42.6 Å²	42.6	9%	0.089	23%	0.233	C	C	.	.			trans	-107.7	150.1	174.6	-61	175.8	0	0	0	111	F324 L350 L362 I367 P371 F373	F324-L346 HydrophobicContact CD2-CD2 3.77Å; F324-L346 HydrophobicContact CE2-CD2 4.2Å; L346-L350 HydrophobicContact CD1-CD2 4.4Å; L346-L362 HydrophobicContact CD1-CD1 3.66Å; L346-L362 HydrophobicContact CD2-CD1 3.79Å; L346-L362 HydrophobicContact CG-CD1 4.34Å; L346-I367 HydrophobicContact CD1-CD1 4.38Å; L346-I367 HydrophobicContact CD2-CD1 4.15Å; L346-I367 HydrophobicContact CG-CD1 4.19Å; L346-P371 HydrophobicContact CB-CG 4.06Å; L346-P371 HydrophobicContact CD1-CG 4.33Å; L346-F373 HydrophobicContact CD1-CZ 4.31Å
347	P	92.6	Very high	91.4	Very high	34 Å²	34	42.6 Å²	42.6	22%	0.221	23%	0.233	C	C	.	.			trans	-69.6	141.6	176.6	26.7	-30.2	0	0	0	111.4	F324 D349 L350	F324-P347 HydrophobicContact CB-CG 4.47Å; F324-P347 HydrophobicContact CD1-CG 3.65Å; F324-P347 HydrophobicContact CE1-CG 4.12Å; F324-P347 HydrophobicContact CG-CG 4.13Å; P347-D349 VanDerWaalsContact C-N 3.25Å; P347-D349 PolarHBondContact O-N 2.98Å; P347-L350 HydrophobicContact CG-CB 4.12Å; P347-L350 HydrophobicContact CG-CD1 4.39Å; P347-L350 VanDerWaalsContact O-CB 3.29Å; P347-L350 WeakPolarHBondContact O-CB 3.1Å; P347-L350 PolarHBondContact O-N 3.1Å
348	L	90.9	Very high	91.5	Very high	151 Å²	151	46.2 Å²	46.2	79%	0.791	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.1	-178.6	-65.1	174.9	0	0	0	112.7	L350 P371	L348-L350 VanDerWaalsContact C-N 3.35Å; L348-P371 HydrophobicContact CD2-CB 4.33Å
349	D	90.1	Very high	91.7	Very high	65 Å²	65	47.7 Å²	47.7	35%	0.348	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	9.6	179	61.7	-51.1	0	0	0	113.6	P347 C351 E352 Q353	P347-D349 VanDerWaalsContact C-N 3.25Å; P347-D349 PolarHBondContact O-N 2.98Å; D349-C351 VanDerWaalsContact C-N 3.27Å; D349-C351 PolarHBondContact O-N 3.3Å; D349-C351 VanDerWaalsContact O-N 3.17Å; D349-E352 HydrophobicContact CB-CB 4.38Å; D349-E352 WeakPolarHBondContact O-CA 3.44Å; D349-E352 WeakPolarHBondContact O-CB 3.14Å; D349-E352 PolarHBondContact O-N 3.03Å; D349-Q353 PolarHBondContact O-N 2.92Å; D349-Q353 PolarHBondContact OD2-NE2 3.08Å
350	L	91.6	Very high	91.9	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-47.5	-47.8	-179.8	-179.5	60.6	0	0	0	112.8	F324 L346 P347 L348 Q353 L354 F373	F324-L350 HydrophobicContact CE1-CD1 3.65Å; F324-L350 HydrophobicContact CE2-CD1 4.16Å; F324-L350 HydrophobicContact CZ-CD1 3.37Å; L346-L350 HydrophobicContact CD1-CD2 4.4Å; P347-L350 HydrophobicContact CG-CB 4.12Å; P347-L350 HydrophobicContact CG-CD1 4.39Å; P347-L350 VanDerWaalsContact O-CB 3.29Å; P347-L350 WeakPolarHBondContact O-CB 3.1Å; P347-L350 PolarHBondContact O-N 3.1Å; L348-L350 VanDerWaalsContact C-N 3.35Å; L350-Q353 PolarHBondContact O-N 3.04Å; L350-L354 HydrophobicContact CD1-CD1 3.67Å; L350-L354 HydrophobicContact CD1-CG 4.33Å; L350-L354 WeakPolarHBondContact O-CB 3.25Å; L350-L354 PolarHBondContact O-N 2.84Å; L350-F373 HydrophobicContact CD2-CE1 4.32Å
351	C	91.3	Very high	92.2	Very high	5 Å²	5	43 Å²	43	3%	0.034	24%	0.236	C	C	.	.	H	α-helix	trans	-83.2	-9.5	-179.7	-70.2	0	0	0	0	114.7	D349 H375 C376	D349-C351 VanDerWaalsContact C-N 3.27Å; D349-C351 PolarHBondContact O-N 3.3Å; D349-C351 VanDerWaalsContact O-N 3.17Å; C351-H375 HydrophobicContact CB-CB 3.69Å; C351-H375 VanDerWaalsContact O-CB 3.31Å; C351-H375 WeakPolarHBondContact O-CB 3.48Å; C351-C376 WeakPolarHBondContact CA-SG 3.27Å; C351-C376 HydrophobicContact CB-CB 3.95Å; C351-C376 WeakPolarHBondContact CB-SG 3.44Å; C351-C376 WeakPolarHBondContact SG-CB 3.4Å; C351-C376 CovalentContact SG-SG 2.03Å; C351-C376 PolarHBondContact SG-SG 2.99Å
352	E	89.7	Confident	92.6	Very high	145 Å²	145	42.7 Å²	42.7	68%	0.678	23%	0.233	S	C	*	.	H	α-helix	trans	-78.1	-32.7	164.1	-60.1	-171.4	-171.5	0	0	110.7	D349	D349-E352 HydrophobicContact CB-CB 4.38Å; D349-E352 WeakPolarHBondContact O-CA 3.44Å; D349-E352 WeakPolarHBondContact O-CB 3.14Å; D349-E352 PolarHBondContact O-N 3.03Å
353	Q	89.8	Confident	92.9	Very high	36 Å²	36	42 Å²	42	17%	0.168	23%	0.226	C	C	.	.	H	α-helix	trans	-77.7	-36.9	175.5	-60.8	-171.3	25.6	0	0	113	D349 L350 P355	D349-Q353 PolarHBondContact O-N 2.92Å; D349-Q353 PolarHBondContact OD2-NE2 3.08Å; L350-Q353 PolarHBondContact O-N 3.04Å; Q353-P355 VanDerWaalsContact O-CD 3.24Å; Q353-P355 WeakPolarHBondContact O-CD 3.26Å
354	L	92.8	Very high	93	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.			trans	-118.8	59.4	-171.1	-51.7	-177	0	0	0	113.8	L327 L333 L336 L350 H356 L357	L327-L354 HydrophobicContact CB-CD2 4.3Å; L327-L354 HydrophobicContact CD1-CD1 3.96Å; L327-L354 HydrophobicContact CD1-CD2 4.16Å; L333-L354 HydrophobicContact CB-CD2 4.33Å; L333-L354 HydrophobicContact CD1-CD2 3.92Å; L336-L354 HydrophobicContact CD2-CD1 3.94Å; L350-L354 HydrophobicContact CD1-CD1 3.67Å; L350-L354 HydrophobicContact CD1-CG 4.33Å; L350-L354 WeakPolarHBondContact O-CB 3.25Å; L350-L354 PolarHBondContact O-N 2.84Å; L354-H356 PolarHBondContact O-N 3.26Å; L354-L357 HydrophobicContact CB-CB 4.19Å; L354-L357 HydrophobicContact CD1-CD2 4.19Å; L354-L357 WeakPolarHBondContact O-CB 3.32Å; L354-L357 PolarHBondContact O-N 2.89Å
355	P	90.1	Very high	93.2	Very high	49 Å²	49	42.1 Å²	42.1	32%	0.318	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.7	-174.4	30.2	-37.5	0	0	0	114.4	Q353	Q353-P355 VanDerWaalsContact O-CD 3.24Å; Q353-P355 WeakPolarHBondContact O-CD 3.26Å
356	H	92.9	Very high	93.3	Very high	111 Å²	111	44 Å²	44	51%	0.514	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.9	-179.4	-66.8	-60.2	0	0	0	114	L333 L354 R358	L333-H356 CarbonylContact O-C 3.53Å; L354-H356 PolarHBondContact O-N 3.26Å; H356-R358 PolarHBondContact O-N 2.97Å
357	L	95.3	Very high	93.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.			trans	-65.5	132.1	-174.5	-162.9	68.8	0	0	0	112.1	L333 L336 L354 L360 A378 L379	L333-L357 HydrophobicContact CB-CD1 4.38Å; L333-L357 WeakPolarHBondContact O-CA 3.18Å; L333-L357 PolarHBondContact O-N 2.86Å; L336-L357 HydrophobicContact CB-CD1 3.75Å; L336-L357 HydrophobicContact CB-CD2 4.47Å; L354-L357 HydrophobicContact CB-CB 4.19Å; L354-L357 HydrophobicContact CD1-CD2 4.19Å; L354-L357 WeakPolarHBondContact O-CB 3.32Å; L354-L357 PolarHBondContact O-N 2.89Å; L357-L360 HydrophobicContact CD2-CB 3.97Å; L357-L360 HydrophobicContact CD2-CD1 4.04Å; L357-L360 HydrophobicContact CD2-CG 4.4Å; L357-A378 CarbonylContact O-C 3.56Å; L357-A378 VanDerWaalsContact O-C 3.22Å; L357-A378 WeakPolarHBondContact O-CB 3.03Å; L357-L379 HydrophobicContact CB-CD2 4.32Å; L357-L379 HydrophobicContact CD2-CD2 4.16Å; L357-L379 HydrophobicContact CG-CD2 4.02Å; L357-L379 WeakPolarHBondContact O-CA 3.42Å; L357-L379 PolarHBondContact O-N 3.12Å; L357-L379 VanDerWaalsContact O-N 3.08Å
358	R	95.6	Very high	93.5	Very high	98 Å²	98	45.1 Å²	45.1	37%	0.37	22%	0.218	S	C	.	.			trans	-115.6	-36.5	-177.1	-65	173.4	60	-160.3	-6.4	112.6	E334 H356 A378 Q380 E381	E334-R358 HydrophobicContact CB-CG 4.46Å; E334-R358 WeakPolarHBondContact O-CA 3.34Å; E334-R358 WeakPolarHBondContact O-CB 3.39Å; E334-R358 PolarHBondContact O-N 3.06Å; E334-R358 WeakPolarHBondContact OE2-CD 3.26Å; E334-R358 IonicContact OE2-CZ 2.77Å; E334-R358 IonicContact OE2-NE 3.33Å; E334-R358 IonicContact OE2-NH1 3.47Å; E334-R358 PolarHBondContact OE2-NH1 3.11Å; H356-R358 PolarHBondContact O-N 2.97Å; R358-A378 HydrophobicContact CG-CB 4.31Å; R358-Q380 VanDerWaalsContact NE-NE2 3.18Å; R358-Q380 PolarHBondContact O-N 2.98Å; R358-E381 PolarHBondContact O-N 3.03Å; R358-E381 VanDerWaalsContact O-N 3.11Å
359	V	96.6	Very high	93.5	Very high	31 Å²	31	42.2 Å²	42.2	19%	0.188	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	125.9	176	-178.5	0	0	0	0	108.8	E334 I335 L336 E381	E334-V359 PolarHBondContact O-N 3.36Å; I335-V359 HydrophobicContact CG1-CB 4.3Å; I335-V359 HydrophobicContact CG1-CG2 4.38Å; I335-V359 HydrophobicContact CG2-CB 4.32Å; L336-V359 PolarHBondContact N-O 3.43Å; V359-E381 WeakPolarHBondContact CA-O 3.36Å; V359-E381 HydrophobicContact CG1-CB 4.47Å; V359-E381 HydrophobicContact CG2-CB 4.38Å
360	L	96.5	Very high	93.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	106.7	173.9	178.6	61.2	0	0	0	109.4	L336 L357 L362 F373 L379 E381 I382 G383	L336-L360 HydrophobicContact CB-CD1 4.33Å; L336-L360 HydrophobicContact CD2-CD1 3.96Å; L336-L360 HydrophobicContact CG-CD1 4.28Å; L336-L360 WeakPolarHBondContact O-CA 3.34Å; L357-L360 HydrophobicContact CD2-CB 3.97Å; L357-L360 HydrophobicContact CD2-CD1 4.04Å; L357-L360 HydrophobicContact CD2-CG 4.4Å; L360-L362 HydrophobicContact CD1-CD1 3.74Å; L360-L362 HydrophobicContact CD1-CD2 4.18Å; L360-L362 HydrophobicContact CD1-CG 3.76Å; L360-L362 HydrophobicContact CD2-CD1 4.06Å; L360-L362 HydrophobicContact CG-CD1 3.88Å; L360-L362 HydrophobicContact CG-CG 4.05Å; L360-F373 HydrophobicContact CD2-CD1 4.27Å; L360-F373 HydrophobicContact CD2-CE1 3.61Å; L360-F373 HydrophobicContact CD2-CZ 4.25Å; L360-L379 HydrophobicContact CB-CD2 3.98Å; L360-E381 PolarHBondContact N-O 2.99Å; L360-I382 CarbonylContact O-C 3.51Å; L360-I382 WeakPolarHBondContact O-CA 3.02Å; L360-G383 PolarHBondContact O-N 3.02Å
361	E	96.1	Very high	93.9	Very high	12 Å²	12	40.7 Å²	40.7	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.1	-176.4	174.5	47.2	-105.8	0	0	109.6	L336 T337 L338 T339 S363 Q385	L336-E361 PolarHBondContact O-N 3Å; T337-E361 CarbonylContact C-O 3.02Å; T337-E361 WeakPolarHBondContact CA-O 3.41Å; T337-E361 HydrophobicContact CG2-CB 4.16Å; T337-E361 HydrophobicContact CG2-CG 3.9Å; L338-E361 PolarHBondContact N-O 2.8Å; T339-E361 HydrophobicContact CG2-CG 3.81Å; E361-S363 WeakPolarHBondContact OE1-CB 3.48Å; E361-S363 PolarHBondContact OE1-N 2.92Å; E361-S363 PolarHBondContact OE1-OG 2.87Å; E361-Q385 PolarHBondContact OE2-NE2 2.7Å
362	L	95.4	Very high	94	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.			trans	-133.3	26.6	-169.5	-67.2	177	0	0	0	112.4	L338 L343 L346 L360 N365 I367 G383 L384 N387	L338-L362 HydrophobicContact CB-CD2 3.98Å; L343-L362 HydrophobicContact CD1-CD2 4.49Å; L346-L362 HydrophobicContact CD1-CD1 3.66Å; L346-L362 HydrophobicContact CD2-CD1 3.79Å; L346-L362 HydrophobicContact CG-CD1 4.34Å; L360-L362 HydrophobicContact CD1-CD1 3.74Å; L360-L362 HydrophobicContact CD1-CD2 4.18Å; L360-L362 HydrophobicContact CD1-CG 3.76Å; L360-L362 HydrophobicContact CD2-CD1 4.06Å; L360-L362 HydrophobicContact CG-CD1 3.88Å; L360-L362 HydrophobicContact CG-CG 4.05Å; L362-N365 PolarHBondContact O-ND2 2.88Å; L362-I367 HydrophobicContact CB-CD1 4.21Å; L362-I367 HydrophobicContact CD1-CD1 4.23Å; L362-G383 PolarHBondContact N-O 2.95Å; L362-L384 HydrophobicContact CB-CD2 3.93Å; L362-L384 HydrophobicContact CD1-CD2 4.12Å; L362-N387 PolarHBondContact O-ND2 3.46Å
363	S	94.8	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.			trans	-67.1	159.5	-177.6	58.2	0	0	0	0	115.6	T339 R340 E361 N365 Q385	T339-S363 VanDerWaalsContact CA-O 3.31Å; T339-S363 WeakPolarHBondContact CA-O 3.41Å; T339-S363 WeakPolarHBondContact CG2-OG 3.06Å; R340-S363 PolarHBondContact N-O 3.39Å; E361-S363 WeakPolarHBondContact OE1-CB 3.48Å; E361-S363 PolarHBondContact OE1-N 2.92Å; E361-S363 PolarHBondContact OE1-OG 2.87Å; S363-N365 VanDerWaalsContact C-N 3.26Å; S363-N365 PolarHBondContact O-N 3.04Å; S363-N365 PolarHBondContact O-ND2 3.2Å; S363-Q385 CarbonylContact C-O 3.48Å; S363-Q385 WeakPolarHBondContact CA-O 3.38Å; S363-Q385 VanDerWaalsContact CB-O 3.3Å; S363-Q385 WeakPolarHBondContact CB-O 3.42Å
364	Y	94.6	Very high	94.3	Very high	62 Å²	62	39.3 Å²	39.3	24%	0.243	19%	0.189	C	C	.	.	S	Bend	trans	54.4	40	-179.6	-60.1	-96.3	0	0	0	113.1	R340 Q385 H386 D525	R340-Y364 VanDerWaalsContact CA-O 3.3Å; R340-Y364 WeakPolarHBondContact CA-O 3.29Å; R340-Y364 HydrophobicContact CG-CD2 4.3Å; R340-Y364 HydrophobicContact CG-CG 4.05Å; Y364-Q385 PolarHBondContact N-O 3.02Å; Y364-H386 VanDerWaalsContact CA-O 3.3Å; Y364-H386 WeakPolarHBondContact CA-O 3.22Å; Y364-H386 HydrophobicContact CD1-CB 3.75Å; Y364-H386 AromaticContact CD1-CD2 3.99Å; Y364-H386 AromaticContact CD1-CG 3.88Å; Y364-H386 HydrophobicContact CD2-CB 4.41Å; Y364-H386 HydrophobicContact CE1-CB 4.09Å; Y364-H386 AromaticContact CE1-CD2 3.39Å; Y364-H386 WeakPolarHBondContact CE1-CD2 3.43Å; Y364-H386 AromaticContact CE1-CG 3.69Å; Y364-H386 AromaticContact CE1-NE2 3.87Å; Y364-H386 AromaticContact CE2-CD2 3.82Å; Y364-H386 HydrophobicContact CG-CB 3.95Å; Y364-H386 AromaticContact CZ-CD2 3.3Å; Y364-H386 AromaticContact CZ-NE2 3.83Å; Y364-H386 PolarHBondContact N-O 3.08Å; Y364-D525 VanDerWaalsContact CE2-OD2 3.22Å; Y364-D525 WeakPolarHBondContact CE2-OD2 3.41Å
365	N	94.8	Very high	94.1	Very high	9 Å²	9	44.4 Å²	44.4	5%	0.048	21%	0.213	C	C	.	.	S	Bend	trans	-107.3	-160.5	172.8	-80.4	-73.9	0	0	0	109.9	L338 A341 L343 L362 S363 I367 H386 N387	L338-N365 PolarHBondContact O-ND2 2.86Å; A341-N365 VanDerWaalsContact C-OD1 3.24Å; A341-N365 WeakPolarHBondContact CA-OD1 3.49Å; A341-N365 WeakPolarHBondContact CB-OD1 3.24Å; A341-N365 PolarHBondContact N-OD1 3.07Å; A341-N365 PolarHBondContact O-OD1 3.04Å; L343-N365 HydrophobicContact CB-CB 4.19Å; L343-N365 WeakPolarHBondContact CB-OD1 3.11Å; L343-N365 PolarHBondContact N-OD1 3.11Å; L362-N365 PolarHBondContact O-ND2 2.88Å; S363-N365 VanDerWaalsContact C-N 3.26Å; S363-N365 PolarHBondContact O-N 3.04Å; S363-N365 PolarHBondContact O-ND2 3.2Å; N365-I367 HydrophobicContact CB-CD1 4.25Å; N365-I367 HydrophobicContact CB-CG1 4.14Å; N365-H386 PolarHBondContact N-O 3.25Å; N365-N387 WeakPolarHBondContact CA-OD1 3.47Å; N365-N387 WeakPolarHBondContact CB-OD1 3.37Å
366	Q	94.6	Very high	94.2	Very high	98 Å²	98	42 Å²	42	46%	0.458	20%	0.198	S	C	.	.			trans	-128.8	26.8	-176.3	-58.5	-179.9	35.2	0	0	111.4	L343 E368 N387	L343-Q366 CarbonylContact O-C 3.59Å; L343-Q366 VanDerWaalsContact O-CA 3.24Å; L343-Q366 WeakPolarHBondContact O-CA 3.37Å; L343-Q366 WeakPolarHBondContact O-CB 3.41Å; L343-Q366 PolarHBondContact O-N 3.3Å; Q366-E368 PolarHBondContact O-N 2.67Å; Q366-N387 PolarHBondContact N-OD1 3.04Å
367	I	95.3	Very high	94.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.			trans	-69.2	123.7	-171.4	-58.4	167.8	0	0	0	110.2	L343 S344 L346 L362 N365 L370 L384 N387 Q388 V389	L343-I367 HydrophobicContact CB-CG1 4.35Å; L343-I367 PolarHBondContact O-N 3.21Å; S344-I367 WeakPolarHBondContact O-CA 3.28Å; L346-I367 HydrophobicContact CD1-CD1 4.38Å; L346-I367 HydrophobicContact CD2-CD1 4.15Å; L346-I367 HydrophobicContact CG-CD1 4.19Å; L362-I367 HydrophobicContact CB-CD1 4.21Å; L362-I367 HydrophobicContact CD1-CD1 4.23Å; N365-I367 HydrophobicContact CB-CD1 4.25Å; N365-I367 HydrophobicContact CB-CG1 4.14Å; I367-L370 HydrophobicContact CG2-CD2 3.94Å; I367-L384 HydrophobicContact CD1-CD2 4.22Å; I367-N387 HydrophobicContact CB-CB 4.42Å; I367-N387 WeakPolarHBondContact CB-OD1 3.45Å; I367-N387 WeakPolarHBondContact CG1-OD1 3.47Å; I367-N387 PolarHBondContact N-OD1 2.92Å; I367-Q388 CarbonylContact O-C 3.13Å; I367-Q388 WeakPolarHBondContact O-CA 3.3Å; I367-Q388 PolarHBondContact O-N 3.45Å; I367-V389 PolarHBondContact O-N 2.68Å; I367-V389 VanDerWaalsContact O-N 3.07Å
368	E	94	Very high	94	Very high	74 Å²	74	41.1 Å²	41.1	35%	0.346	21%	0.205	S	C	.	.			trans	-97.6	-39	-179.1	-68.2	-159.5	-128	0	0	114.7	S344 Q366 Q388 V389 R390	S344-E368 PolarHBondContact O-N 2.87Å; Q366-E368 PolarHBondContact O-N 2.67Å; E368-Q388 HydrophobicContact CG-CB 4.09Å; E368-V389 WeakPolarHBondContact O-CA 3.35Å; E368-R390 IonicContact OE2-CZ 3.2Å; E368-R390 IonicContact OE2-NE 3.4Å; E368-R390 PolarHBondContact OE2-NE 2.9Å; E368-R390 IonicContact OE2-NH2 2.62Å; E368-R390 PolarHBondContact OE2-NH2 3.02Å
369	D	92.7	Very high	94	Very high	89 Å²	89	36.4 Å²	36.4	48%	0.476	19%	0.187	S	C	.	.	S	Bend	trans	-128.2	142.8	-178.5	-75.9	-57.6	0	0	0	110.2	R391	D369-R391 IonicContact OD1-NH1 2.6Å; D369-R391 PolarHBondContact OD1-NH1 2.9Å; D369-R391 IonicContact OD2-NH1 2.7Å
370	L	94.8	Very high	94	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.136	19%	0.188	C	C	.	.			trans	-106.9	139.9	-177.4	-63	176	0	0	0	112	I367 F373 L384 V389 T396 F397 L408	I367-L370 HydrophobicContact CG2-CD2 3.94Å; L370-F373 HydrophobicContact CB-CE2 4.42Å; L370-L384 HydrophobicContact CD1-CD1 3.92Å; L370-L384 HydrophobicContact CD2-CD1 3.9Å; L370-L384 HydrophobicContact CD2-CD2 4.06Å; L370-V389 HydrophobicContact CD1-CG1 3.98Å; L370-V389 HydrophobicContact CD1-CG2 4.22Å; L370-V389 HydrophobicContact CD2-CG2 4.08Å; L370-V389 HydrophobicContact CG-CG1 4.14Å; L370-V389 HydrophobicContact CG-CG2 4.03Å; L370-T396 HydrophobicContact CB-CG2 3.85Å; L370-T396 HydrophobicContact CD1-CG2 4.07Å; L370-F397 HydrophobicContact CD1-CZ 4.1Å; L370-L408 HydrophobicContact CD1-CD2 4.47Å
371	P	94.6	Very high	93.9	Very high	10 Å²	10	38.9 Å²	38.9	7%	0.065	20%	0.197	C	C	.	.			trans	-74.1	178.5	173.4	33.9	-36.2	0	0	0	111.5	L346 L348 F373	L346-P371 HydrophobicContact CB-CG 4.06Å; L346-P371 HydrophobicContact CD1-CG 4.33Å; L348-P371 HydrophobicContact CD2-CB 4.33Å; P371-F373 HydrophobicContact CG-CE1 4.12Å; P371-F373 HydrophobicContact CG-CZ 4.13Å
372	S	93.6	Very high	94	Very high	46 Å²	46	38.5 Å²	38.5	32%	0.322	20%	0.195	S	C	.	.			trans	-81.6	122.9	167.6	-177.4	0	0	0	0	110.4	Y374 S395	S372-Y374 VanDerWaalsContact C-N 3.25Å; S372-Y374 PolarHBondContact O-N 3.03Å; S372-Y374 WeakPolarHBondContact OG-CB 3.49Å; S372-Y374 PolarHBondContact OG-N 3.31Å; S372-S395 WeakPolarHBondContact CB-O 3.45Å; S372-S395 PolarHBondContact OG-O 2.93Å
373	F	94.6	Very high	94.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.			trans	-84.8	6	176.6	-62.5	-71.6	0	0	0	113.3	L346 L350 L360 L370 P371 H375 C376 L379 T396 F397 L400	L346-F373 HydrophobicContact CD1-CZ 4.31Å; L350-F373 HydrophobicContact CD2-CE1 4.32Å; L360-F373 HydrophobicContact CD2-CD1 4.27Å; L360-F373 HydrophobicContact CD2-CE1 3.61Å; L360-F373 HydrophobicContact CD2-CZ 4.25Å; L370-F373 HydrophobicContact CB-CE2 4.42Å; P371-F373 HydrophobicContact CG-CE1 4.12Å; P371-F373 HydrophobicContact CG-CZ 4.13Å; F373-H375 PolarHBondContact O-N 2.99Å; F373-C376 WeakPolarHBondContact O-CB 3.08Å; F373-C376 PolarHBondContact O-N 2.93Å; F373-L379 HydrophobicContact CB-CD1 4.38Å; F373-L379 HydrophobicContact CD1-CD1 4.5Å; F373-T396 WeakPolarHBondContact CB-O 3.28Å; F373-T396 HydrophobicContact CD2-CG2 4.09Å; F373-T396 WeakPolarHBondContact CD2-O 3.31Å; F373-T396 HydrophobicContact CE2-CG2 4.07Å; F373-T396 PolarHBondContact N-O 3.21Å; F373-F397 AromaticContact CD2-CD1 3.93Å; F373-F397 HydrophobicContact CD2-CD1 3.93Å; F373-F397 AromaticContact CD2-CE1 3.81Å; F373-F397 HydrophobicContact CD2-CE1 3.81Å; F373-F397 HydrophobicContact CE2-CD1 4.45Å; F373-F397 AromaticContact CE2-CE1 3.88Å; F373-F397 HydrophobicContact CE2-CE1 3.88Å; F373-L400 HydrophobicContact CB-CD1 4Å; F373-L400 HydrophobicContact CB-CD2 4.22Å; F373-L400 WeakPolarHBondContact O-CD2 3.31Å
374	Y	89.9	Confident	94.1	Very high	110 Å²	110	38.7 Å²	38.7	43%	0.431	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	-39.6	-172.8	178.8	-83.3	0	0	0	115.1	S372 Q399	S372-Y374 VanDerWaalsContact C-N 3.25Å; S372-Y374 PolarHBondContact O-N 3.03Å; S372-Y374 WeakPolarHBondContact OG-CB 3.49Å; S372-Y374 PolarHBondContact OG-N 3.31Å; Y374-Q399 HydrophobicContact CD2-CB 4Å; Y374-Q399 HydrophobicContact CD2-CG 3.86Å; Y374-Q399 HydrophobicContact CE2-CB 3.95Å; Y374-Q399 HydrophobicContact CE2-CG 3.41Å; Y374-Q399 VanDerWaalsContact CE2-CG 3.41Å
375	H	89.6	Confident	94.2	Very high	107 Å²	107	36 Å²	36	50%	0.495	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-20.6	-179.1	-71.9	-75.9	0	0	0	113.7	C351 F373 S377	C351-H375 HydrophobicContact CB-CB 3.69Å; C351-H375 VanDerWaalsContact O-CB 3.31Å; C351-H375 WeakPolarHBondContact O-CB 3.48Å; F373-H375 PolarHBondContact O-N 2.99Å; H375-S377 PolarHBondContact O-N 2.83Å
376	C	92.5	Very high	94.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.			trans	-81	49	176.1	-67.8	0	0	0	0	112.3	C351 F373 A378 L379 L400	C351-C376 WeakPolarHBondContact CA-SG 3.27Å; C351-C376 HydrophobicContact CB-CB 3.95Å; C351-C376 WeakPolarHBondContact CB-SG 3.44Å; C351-C376 WeakPolarHBondContact SG-CB 3.4Å; C351-C376 CovalentContact SG-SG 2.03Å; C351-C376 PolarHBondContact SG-SG 2.99Å; F373-C376 WeakPolarHBondContact O-CB 3.08Å; F373-C376 PolarHBondContact O-N 2.93Å; C376-A378 PolarHBondContact O-N 3.22Å; C376-L379 HydrophobicContact CB-CD1 3.38Å; C376-L379 HydrophobicContact CB-CG 3.77Å; C376-L379 WeakPolarHBondContact O-CB 3.33Å; C376-L379 WeakPolarHBondContact O-CG 3.06Å; C376-L379 PolarHBondContact O-N 3.27Å; C376-L400 WeakPolarHBondContact O-CD2 3.42Å
377	S	89.8	Confident	94.4	Very high	65 Å²	65	34 Å²	34	46%	0.455	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-10.9	-173.5	58.8	0	0	0	0	115.8	H375 S402	H375-S377 PolarHBondContact O-N 2.83Å; S377-S402 WeakPolarHBondContact O-CB 3.21Å; S377-S402 PolarHBondContact O-OG 2.88Å
378	A	93.6	Very high	94.4	Very high	26 Å²	26	37.7 Å²	37.7	22%	0.215	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-10.9	173.6	0	0	0	0	0	114.4	L357 R358 C376 Q380	L357-A378 CarbonylContact O-C 3.56Å; L357-A378 VanDerWaalsContact O-C 3.22Å; L357-A378 WeakPolarHBondContact O-CB 3.03Å; R358-A378 HydrophobicContact CG-CB 4.31Å; C376-A378 PolarHBondContact O-N 3.22Å; A378-Q380 PolarHBondContact O-N 2.85Å; A378-Q380 PolarHBondContact O-NE2 3.11Å
379	L	95.9	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.			trans	-58.6	129	-175.5	-80.5	170	0	0	0	112.4	L357 L360 F373 C376 I382 L400 S402 L403	L357-L379 HydrophobicContact CB-CD2 4.32Å; L357-L379 HydrophobicContact CD2-CD2 4.16Å; L357-L379 HydrophobicContact CG-CD2 4.02Å; L357-L379 WeakPolarHBondContact O-CA 3.42Å; L357-L379 PolarHBondContact O-N 3.12Å; L357-L379 VanDerWaalsContact O-N 3.08Å; L360-L379 HydrophobicContact CB-CD2 3.98Å; F373-L379 HydrophobicContact CB-CD1 4.38Å; F373-L379 HydrophobicContact CD1-CD1 4.5Å; C376-L379 HydrophobicContact CB-CD1 3.38Å; C376-L379 HydrophobicContact CB-CG 3.77Å; C376-L379 WeakPolarHBondContact O-CB 3.33Å; C376-L379 WeakPolarHBondContact O-CG 3.06Å; C376-L379 PolarHBondContact O-N 3.27Å; L379-I382 HydrophobicContact CD1-CD1 4.03Å; L379-I382 HydrophobicContact CD1-CG1 4.26Å; L379-I382 HydrophobicContact CD2-CG1 4.43Å; L379-L400 HydrophobicContact CB-CD2 4.43Å; L379-L400 HydrophobicContact CD1-CD2 4.34Å; L379-S402 CarbonylContact O-C 3.6Å; L379-S402 WeakPolarHBondContact O-CB 3.41Å; L379-L403 HydrophobicContact CB-CD1 4.38Å; L379-L403 VanDerWaalsContact O-CA 3.32Å; L379-L403 WeakPolarHBondContact O-CA 3.37Å; L379-L403 PolarHBondContact O-N 3.44Å; L379-L403 VanDerWaalsContact O-N 3.08Å
380	Q	95.5	Very high	94.7	Very high	45 Å²	45	35.3 Å²	35.3	21%	0.21	18%	0.176	C	C	.	.			trans	-113.1	-36.1	-179.8	-75.4	152.6	43.8	0	0	110.7	R358 A378 R404 A405	R358-Q380 VanDerWaalsContact NE-NE2 3.18Å; R358-Q380 PolarHBondContact O-N 2.98Å; A378-Q380 PolarHBondContact O-N 2.85Å; A378-Q380 PolarHBondContact O-NE2 3.11Å; Q380-R404 PolarHBondContact O-N 2.63Å; Q380-A405 PolarHBondContact O-N 3.25Å
381	E	96.3	Very high	94.7	Very high	38 Å²	38	39 Å²	39	18%	0.178	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.2	-177	-48.1	-167.3	170.1	0	0	110.6	R358 V359 L360 A405 Q532	R358-E381 PolarHBondContact O-N 3.03Å; R358-E381 VanDerWaalsContact O-N 3.11Å; V359-E381 WeakPolarHBondContact CA-O 3.36Å; V359-E381 HydrophobicContact CG1-CB 4.47Å; V359-E381 HydrophobicContact CG2-CB 4.38Å; L360-E381 PolarHBondContact N-O 2.99Å; E381-A405 HydrophobicContact CB-CB 4.08Å; E381-A405 HydrophobicContact CG-CB 4Å; E381-Q532 PolarHBondContact OE2-NE2 3.21Å
382	I	96.9	Very high	94.8	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	118.7	175.4	-61.8	169.5	0	0	0	109	L360 L379 L384 F397 L400 L403 A405 L406 D407	L360-I382 CarbonylContact O-C 3.51Å; L360-I382 WeakPolarHBondContact O-CA 3.02Å; L379-I382 HydrophobicContact CD1-CD1 4.03Å; L379-I382 HydrophobicContact CD1-CG1 4.26Å; L379-I382 HydrophobicContact CD2-CG1 4.43Å; I382-L384 HydrophobicContact CG2-CD1 3.68Å; I382-L384 HydrophobicContact CG2-CG 3.95Å; I382-F397 HydrophobicContact CD1-CD1 4.1Å; I382-F397 HydrophobicContact CD1-CE1 3.99Å; I382-L400 HydrophobicContact CD1-CD1 3.9Å; I382-L403 HydrophobicContact CB-CD1 4.43Å; I382-L403 HydrophobicContact CD1-CD1 3.7Å; I382-L403 HydrophobicContact CD1-CD2 4.19Å; I382-L403 HydrophobicContact CG1-CD1 3.73Å; I382-A405 PolarHBondContact N-O 3.13Å; I382-A405 VanDerWaalsContact N-O 3.08Å; I382-L406 HydrophobicContact CB-CD1 3.86Å; I382-L406 HydrophobicContact CG2-CD1 3.89Å; I382-L406 WeakPolarHBondContact O-CA 3.46Å; I382-D407 PolarHBondContact O-N 3.42Å
383	G	97.1	Very high	94.9	Very high	4 Å²	4	39.9 Å²	39.9	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.5	171.4	0	0	0	0	0	111.2	L360 L362 Q385	L360-G383 PolarHBondContact O-N 3.02Å; L362-G383 PolarHBondContact N-O 2.95Å; G383-Q385 VanDerWaalsContact C-OE1 3.22Å
384	L	96.4	Very high	94.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.			trans	-130.4	16	179	-77.1	164	0	0	0	111.9	L362 I367 L370 I382 N387 D407 L408 N411	L362-L384 HydrophobicContact CB-CD2 3.93Å; L362-L384 HydrophobicContact CD1-CD2 4.12Å; I367-L384 HydrophobicContact CD1-CD2 4.22Å; L370-L384 HydrophobicContact CD1-CD1 3.92Å; L370-L384 HydrophobicContact CD2-CD1 3.9Å; L370-L384 HydrophobicContact CD2-CD2 4.06Å; I382-L384 HydrophobicContact CG2-CD1 3.68Å; I382-L384 HydrophobicContact CG2-CG 3.95Å; L384-N387 WeakPolarHBondContact O-CB 3.49Å; L384-N387 PolarHBondContact O-ND2 3.14Å; L384-D407 PolarHBondContact N-O 2.8Å; L384-L408 HydrophobicContact CB-CD2 3.86Å; L384-L408 HydrophobicContact CD1-CD2 3.92Å; L384-N411 PolarHBondContact O-ND2 2.77Å
385	Q	95.8	Very high	95	Very high	4 Å²	4	39 Å²	39	2%	0.019	20%	0.196	C	C	.	.			trans	-59.8	147.7	-178.7	63.3	-74	12.9	0	0	113.5	E361 S363 Y364 G383 N387 S409	E361-Q385 PolarHBondContact OE2-NE2 2.7Å; S363-Q385 CarbonylContact C-O 3.48Å; S363-Q385 WeakPolarHBondContact CA-O 3.38Å; S363-Q385 VanDerWaalsContact CB-O 3.3Å; S363-Q385 WeakPolarHBondContact CB-O 3.42Å; Y364-Q385 PolarHBondContact N-O 3.02Å; G383-Q385 VanDerWaalsContact C-OE1 3.22Å; Q385-N387 PolarHBondContact O-ND2 3.08Å; Q385-S409 VanDerWaalsContact CA-O 3.29Å; Q385-S409 WeakPolarHBondContact CA-O 3.39Å; Q385-S409 VanDerWaalsContact CB-OG 3.23Å; Q385-S409 WeakPolarHBondContact CB-OG 3.42Å
386	H	96.1	Very high	95.3	Very high	58 Å²	58	34.1 Å²	34.1	27%	0.269	17%	0.174	S	C	.	.	S	Bend	trans	54.5	53.2	-175	-67.4	-75.4	0	0	0	113.5	Y364 N365 S409 W410	Y364-H386 VanDerWaalsContact CA-O 3.3Å; Y364-H386 WeakPolarHBondContact CA-O 3.22Å; Y364-H386 HydrophobicContact CD1-CB 3.75Å; Y364-H386 AromaticContact CD1-CD2 3.99Å; Y364-H386 AromaticContact CD1-CG 3.88Å; Y364-H386 HydrophobicContact CD2-CB 4.41Å; Y364-H386 HydrophobicContact CE1-CB 4.09Å; Y364-H386 AromaticContact CE1-CD2 3.39Å; Y364-H386 WeakPolarHBondContact CE1-CD2 3.43Å; Y364-H386 AromaticContact CE1-CG 3.69Å; Y364-H386 AromaticContact CE1-NE2 3.87Å; Y364-H386 AromaticContact CE2-CD2 3.82Å; Y364-H386 HydrophobicContact CG-CB 3.95Å; Y364-H386 AromaticContact CZ-CD2 3.3Å; Y364-H386 AromaticContact CZ-NE2 3.83Å; Y364-H386 PolarHBondContact N-O 3.08Å; N365-H386 PolarHBondContact N-O 3.25Å; H386-S409 PolarHBondContact N-O 3.27Å; H386-S409 VanDerWaalsContact N-O 3.08Å; H386-W410 WeakPolarHBondContact CA-O 3.2Å; H386-W410 VanDerWaalsContact CE1-CB 3.48Å; H386-W410 WeakPolarHBondContact CE1-CB 3.49Å; H386-W410 AromaticContact CE1-CD1 3.51Å; H386-W410 AromaticContact CE1-CD2 3.52Å; H386-W410 AromaticContact CE1-CE2 3.95Å; H386-W410 AromaticContact CE1-CG 3.22Å; H386-W410 AromaticContact CE1-NE1 3.92Å; H386-W410 VanDerWaalsContact ND1-CB 3.31Å; H386-W410 WeakPolarHBondContact ND1-CB 3.46Å; H386-W410 AromaticContact ND1-CG 3.63Å; H386-W410 AromaticContact NE2-CD1 3.48Å; H386-W410 AromaticContact NE2-CG 3.67Å; H386-W410 AromaticContact NE2-NE1 3.9Å
387	N	96.8	Very high	95.4	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.043	17%	0.174	C	C	.	.	S	Bend	trans	-119.7	-167.4	170.7	-86.4	-80	0	0	0	110.8	L362 N365 Q366 I367 L384 Q385 V389 N411	L362-N387 PolarHBondContact O-ND2 3.46Å; N365-N387 WeakPolarHBondContact CA-OD1 3.47Å; N365-N387 WeakPolarHBondContact CB-OD1 3.37Å; Q366-N387 PolarHBondContact N-OD1 3.04Å; I367-N387 HydrophobicContact CB-CB 4.42Å; I367-N387 WeakPolarHBondContact CB-OD1 3.45Å; I367-N387 WeakPolarHBondContact CG1-OD1 3.47Å; I367-N387 PolarHBondContact N-OD1 2.92Å; L384-N387 WeakPolarHBondContact O-CB 3.49Å; L384-N387 PolarHBondContact O-ND2 3.14Å; Q385-N387 PolarHBondContact O-ND2 3.08Å; N387-V389 HydrophobicContact CB-CG2 4.35Å; N387-N411 WeakPolarHBondContact CA-OD1 3.35Å; N387-N411 WeakPolarHBondContact CB-OD1 3.48Å; N387-N411 PolarHBondContact O-OD1 2.76Å
388	Q	96.4	Very high	95.4	Very high	78 Å²	78	34.6 Å²	34.6	36%	0.364	17%	0.169	S	C	.	.			trans	-118.7	25.3	-177.6	-63.3	-175.4	59.2	0	0	112.3	I367 E368 R390 N411 T412	I367-Q388 CarbonylContact O-C 3.13Å; I367-Q388 WeakPolarHBondContact O-CA 3.3Å; I367-Q388 PolarHBondContact O-N 3.45Å; E368-Q388 HydrophobicContact CG-CB 4.09Å; Q388-R390 WeakPolarHBondContact O-CG 3.16Å; Q388-R390 PolarHBondContact O-N 3.4Å; Q388-N411 PolarHBondContact N-OD1 2.79Å; Q388-T412 PolarHBondContact O-OG1 2.99Å
389	V	96.9	Very high	95.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.179	C	C	.	.			trans	-64	132.6	-177.2	-177.9	0	0	0	0	109.9	I367 E368 L370 N387 N411 T412 I413	I367-V389 PolarHBondContact O-N 2.68Å; I367-V389 VanDerWaalsContact O-N 3.07Å; E368-V389 WeakPolarHBondContact O-CA 3.35Å; L370-V389 HydrophobicContact CD1-CG1 3.98Å; L370-V389 HydrophobicContact CD1-CG2 4.22Å; L370-V389 HydrophobicContact CD2-CG2 4.08Å; L370-V389 HydrophobicContact CG-CG1 4.14Å; L370-V389 HydrophobicContact CG-CG2 4.03Å; N387-V389 HydrophobicContact CB-CG2 4.35Å; V389-N411 HydrophobicContact CB-CB 4.45Å; V389-N411 VanDerWaalsContact CB-OD1 3.31Å; V389-N411 WeakPolarHBondContact CB-OD1 2.99Å; V389-N411 WeakPolarHBondContact CG2-OD1 3.41Å; V389-N411 PolarHBondContact N-OD1 2.84Å; V389-T412 CarbonylContact O-C 3.11Å; V389-T412 WeakPolarHBondContact O-CA 3.29Å; V389-T412 PolarHBondContact O-N 3.47Å; V389-T412 PolarHBondContact O-OG1 2.96Å; V389-I413 HydrophobicContact CB-CG1 4.28Å; V389-I413 HydrophobicContact CG1-CG1 4.18Å; V389-I413 WeakPolarHBondContact O-CG1 3.01Å; V389-I413 PolarHBondContact O-N 3.21Å; V389-I413 VanDerWaalsContact O-N 3.09Å
390	R	95.2	Very high	95.1	Very high	112 Å²	112	37.8 Å²	37.8	42%	0.423	18%	0.179	S	C	.	.			trans	-110.4	-26.6	-175.2	-49.7	-169.5	-163.1	-163	3.5	114.9	E368 Q388 I413 E414	E368-R390 IonicContact OE2-CZ 3.2Å; E368-R390 IonicContact OE2-NE 3.4Å; E368-R390 PolarHBondContact OE2-NE 2.9Å; E368-R390 IonicContact OE2-NH2 2.62Å; E368-R390 PolarHBondContact OE2-NH2 3.02Å; Q388-R390 WeakPolarHBondContact O-CG 3.16Å; Q388-R390 PolarHBondContact O-N 3.4Å; R390-I413 WeakPolarHBondContact O-CA 3.39Å; R390-E414 PolarHBondContact O-N 3.34Å
391	R	95.7	Very high	94.9	Very high	104 Å²	104	38.7 Å²	38.7	39%	0.392	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	151.6	-176.8	69.1	-174.6	69.3	83.7	-0.1	111.5	D369 E393 W415	D369-R391 IonicContact OD1-NH1 2.6Å; D369-R391 PolarHBondContact OD1-NH1 2.9Å; D369-R391 IonicContact OD2-NH1 2.7Å; R391-E393 WeakPolarHBondContact CD-OE1 3.39Å; R391-W415 WeakPolarHBondContact CA-O 3Å; R391-W415 HydrophobicContact CB-CE3 4.45Å
392	I	96.8	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.6	170.7	-54	177	0	0	0	108.5	T396 F397 L408 I413 W415 I416 H417 A420 F421	I392-T396 HydrophobicContact CG2-CG2 4.42Å; I392-F397 HydrophobicContact CD1-CE2 4.2Å; I392-F397 HydrophobicContact CG2-CD2 3.73Å; I392-F397 HydrophobicContact CG2-CE2 3.64Å; I392-L408 HydrophobicContact CD1-CD1 3.72Å; I392-I413 HydrophobicContact CD1-CD1 4.26Å; I392-I413 HydrophobicContact CG1-CG2 4.3Å; I392-W415 PolarHBondContact N-O 3.45Å; I392-W415 VanDerWaalsContact N-O 3.09Å; I392-I416 HydrophobicContact CB-CB 4.48Å; I392-I416 HydrophobicContact CB-CG1 4.41Å; I392-I416 HydrophobicContact CB-CG2 4.12Å; I392-I416 HydrophobicContact CD1-CD1 3.99Å; I392-I416 HydrophobicContact CD1-CG1 3.88Å; I392-I416 HydrophobicContact CD1-CG2 4.29Å; I392-I416 HydrophobicContact CG1-CG1 4.29Å; I392-I416 HydrophobicContact CG2-CG2 4.43Å; I392-H417 WeakPolarHBondContact O-CB 3.43Å; I392-H417 PolarHBondContact O-N 3.18Å; I392-A420 HydrophobicContact CG2-CB 3.95Å; I392-F421 HydrophobicContact CD1-CE1 4.35Å; I392-F421 HydrophobicContact CD1-CZ 4.08Å
393	E	95.6	Very high	94.7	Very high	75 Å²	75	38.7 Å²	38.7	35%	0.35	19%	0.192	S	C	.	.			trans	-87.9	161.1	-179.6	-64.1	-62.1	163.3	0	0	111.8	R391 S395 T396	R391-E393 WeakPolarHBondContact CD-OE1 3.39Å; E393-S395 PolarHBondContact O-N 3.32Å; E393-S395 VanDerWaalsContact O-N 3.12Å; E393-T396 PolarHBondContact N-OG1 3.05Å; E393-T396 PolarHBondContact O-N 2.95Å; E393-T396 VanDerWaalsContact O-N 3.12Å; E393-T396 PolarHBondContact O-OG1 2.97Å
394	S	94.3	Very high	94.6	Very high	41 Å²	41	44.9 Å²	44.9	29%	0.287	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.7	179.6	51.6	0	0	0	0	114.4
395	S	92.4	Very high	94.6	Very high	51 Å²	51	45.2 Å²	45.2	36%	0.357	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-10.7	-180	57.4	0	0	0	0	114.2	S372 E393	S372-S395 WeakPolarHBondContact CB-O 3.45Å; S372-S395 PolarHBondContact OG-O 2.93Å; E393-S395 PolarHBondContact O-N 3.32Å; E393-S395 VanDerWaalsContact O-N 3.12Å
396	T	94.9	Very high	94.6	Very high	4 Å²	4	45 Å²	45	3%	0.025	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-56	-172.6	-57.6	0	0	0	0	111.4	L370 F373 I392 E393	L370-T396 HydrophobicContact CB-CG2 3.85Å; L370-T396 HydrophobicContact CD1-CG2 4.07Å; F373-T396 WeakPolarHBondContact CB-O 3.28Å; F373-T396 HydrophobicContact CD2-CG2 4.09Å; F373-T396 WeakPolarHBondContact CD2-O 3.31Å; F373-T396 HydrophobicContact CE2-CG2 4.07Å; F373-T396 PolarHBondContact N-O 3.21Å; I392-T396 HydrophobicContact CG2-CG2 4.42Å; E393-T396 PolarHBondContact N-OG1 3.05Å; E393-T396 PolarHBondContact O-N 2.95Å; E393-T396 VanDerWaalsContact O-N 3.12Å; E393-T396 PolarHBondContact O-OG1 2.97Å
397	F	94.9	Very high	94.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-107.8	21.1	-176.2	-57.2	-67.7	0	0	0	113.7	L370 F373 I382 I392 L400 L406 L408 F421 S423 L424	L370-F397 HydrophobicContact CD1-CZ 4.1Å; F373-F397 AromaticContact CD2-CD1 3.93Å; F373-F397 HydrophobicContact CD2-CD1 3.93Å; F373-F397 AromaticContact CD2-CE1 3.81Å; F373-F397 HydrophobicContact CD2-CE1 3.81Å; F373-F397 HydrophobicContact CE2-CD1 4.45Å; F373-F397 AromaticContact CE2-CE1 3.88Å; F373-F397 HydrophobicContact CE2-CE1 3.88Å; I382-F397 HydrophobicContact CD1-CD1 4.1Å; I382-F397 HydrophobicContact CD1-CE1 3.99Å; I392-F397 HydrophobicContact CD1-CE2 4.2Å; I392-F397 HydrophobicContact CG2-CD2 3.73Å; I392-F397 HydrophobicContact CG2-CE2 3.64Å; F397-L400 HydrophobicContact CB-CD1 4.13Å; F397-L400 HydrophobicContact CD1-CD1 3.91Å; F397-L406 HydrophobicContact CD2-CD2 4.34Å; F397-L406 HydrophobicContact CE1-CD1 3.89Å; F397-L406 HydrophobicContact CE1-CD2 4.38Å; F397-L406 HydrophobicContact CE2-CD2 4.18Å; F397-L406 HydrophobicContact CZ-CD1 3.95Å; F397-L406 HydrophobicContact CZ-CD2 4.21Å; F397-L408 HydrophobicContact CE2-CD1 4.19Å; F397-L408 HydrophobicContact CZ-CD1 4.22Å; F397-F421 HydrophobicContact CD2-CD1 4.48Å; F397-F421 HydrophobicContact CD2-CE1 4.04Å; F397-F421 HydrophobicContact CE2-CE1 4.45Å; F397-S423 PolarHBondContact O-OG 2.9Å; F397-L424 HydrophobicContact CB-CD1 4.25Å; F397-L424 HydrophobicContact CB-CD2 4.29Å; F397-L424 WeakPolarHBondContact O-CD2 3.38Å
398	Q	91	Very high	94.7	Very high	75 Å²	75	42.7 Å²	42.7	35%	0.35	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	138.7	-173.8	-153.1	179.4	31.9	0	0	112.3	L400 S423	Q398-L400 PolarHBondContact O-N 3.07Å; Q398-S423 WeakPolarHBondContact CA-OG 3.34Å
399	Q	89.3	Confident	94.7	Very high	92 Å²	92	39.3 Å²	39.3	43%	0.43	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	13.4	-177.3	-58.9	-58	-32	0	0	116.8	Y374 T401 S423	Y374-Q399 HydrophobicContact CD2-CB 4Å; Y374-Q399 HydrophobicContact CD2-CG 3.86Å; Y374-Q399 HydrophobicContact CE2-CB 3.95Å; Y374-Q399 HydrophobicContact CE2-CG 3.41Å; Y374-Q399 VanDerWaalsContact CE2-CG 3.41Å; Q399-T401 PolarHBondContact O-N 2.95Å; Q399-S423 PolarHBondContact N-OG 2.85Å
400	L	93.3	Very high	94.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.215	C	C	.	.			trans	-75.3	63.8	171.6	-58.9	-176	0	0	0	112.3	F373 C376 L379 I382 F397 Q398 S402 L403 L424	F373-L400 HydrophobicContact CB-CD1 4Å; F373-L400 HydrophobicContact CB-CD2 4.22Å; F373-L400 WeakPolarHBondContact O-CD2 3.31Å; C376-L400 WeakPolarHBondContact O-CD2 3.42Å; L379-L400 HydrophobicContact CB-CD2 4.43Å; L379-L400 HydrophobicContact CD1-CD2 4.34Å; I382-L400 HydrophobicContact CD1-CD1 3.9Å; F397-L400 HydrophobicContact CB-CD1 4.13Å; F397-L400 HydrophobicContact CD1-CD1 3.91Å; Q398-L400 PolarHBondContact O-N 3.07Å; L400-S402 PolarHBondContact O-N 2.89Å; L400-L403 HydrophobicContact CB-CB 4.03Å; L400-L403 HydrophobicContact CB-CD2 4.44Å; L400-L403 HydrophobicContact CD1-CD2 4.13Å; L400-L403 WeakPolarHBondContact O-CB 3.45Å; L400-L403 PolarHBondContact O-N 2.88Å; L400-L424 HydrophobicContact CB-CD2 3.77Å
401	T	91.1	Very high	94.8	Very high	64 Å²	64	40.7 Å²	40.7	39%	0.393	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.2	-177.1	56.1	0	0	0	0	113.9	Q399 S426	Q399-T401 PolarHBondContact O-N 2.95Å; T401-S426 VanDerWaalsContact O-CB 3.23Å; T401-S426 WeakPolarHBondContact O-CB 3.41Å; T401-S426 PolarHBondContact O-OG 3.15Å
402	S	93.6	Very high	94.8	Very high	42 Å²	42	38 Å²	38	29%	0.294	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.2	176.8	-57.3	0	0	0	0	113.8	S377 L379 L400	S377-S402 WeakPolarHBondContact O-CB 3.21Å; S377-S402 PolarHBondContact O-OG 2.88Å; L379-S402 CarbonylContact O-C 3.6Å; L379-S402 WeakPolarHBondContact O-CB 3.41Å; L400-S402 PolarHBondContact O-N 2.89Å
403	L	95.6	Very high	94.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.			trans	-71.6	132.5	-169.1	-166.8	72.1	0	0	0	111.7	L379 I382 L400 L406 L424 S426 L427	L379-L403 HydrophobicContact CB-CD1 4.38Å; L379-L403 VanDerWaalsContact O-CA 3.32Å; L379-L403 WeakPolarHBondContact O-CA 3.37Å; L379-L403 PolarHBondContact O-N 3.44Å; L379-L403 VanDerWaalsContact O-N 3.08Å; I382-L403 HydrophobicContact CB-CD1 4.43Å; I382-L403 HydrophobicContact CD1-CD1 3.7Å; I382-L403 HydrophobicContact CD1-CD2 4.19Å; I382-L403 HydrophobicContact CG1-CD1 3.73Å; L400-L403 HydrophobicContact CB-CB 4.03Å; L400-L403 HydrophobicContact CB-CD2 4.44Å; L400-L403 HydrophobicContact CD1-CD2 4.13Å; L400-L403 WeakPolarHBondContact O-CB 3.45Å; L400-L403 PolarHBondContact O-N 2.88Å; L403-L406 HydrophobicContact CD2-CB 4.35Å; L403-L424 HydrophobicContact CB-CD2 4.4Å; L403-L424 HydrophobicContact CD2-CD1 4.3Å; L403-L424 HydrophobicContact CD2-CD2 3.95Å; L403-S426 CarbonylContact O-C 3.35Å; L403-S426 WeakPolarHBondContact O-CB 3.45Å; L403-S426 VanDerWaalsContact O-O 3.1Å; L403-L427 HydrophobicContact CD2-CD1 4Å; L403-L427 HydrophobicContact CG-CD1 3.95Å; L403-L427 WeakPolarHBondContact O-CA 3.42Å; L403-L427 PolarHBondContact O-N 2.97Å; L403-L427 VanDerWaalsContact O-N 3.17Å
404	R	94.4	Very high	94.8	Very high	135 Å²	135	39.9 Å²	39.9	51%	0.509	20%	0.201	S	C	.	.			trans	-119.9	-36.5	-176.9	-62.1	178.9	179.8	-171.3	-1.5	112.8	Q380 I428 K429	Q380-R404 PolarHBondContact O-N 2.63Å; R404-I428 HydrophobicContact CB-CD1 4.34Å; R404-I428 HydrophobicContact CG-CD1 4.32Å; R404-I428 PolarHBondContact O-N 3.02Å; R404-K429 PolarHBondContact O-N 3.25Å
405	A	95.8	Very high	94.9	Very high	7 Å²	7	43.5 Å²	43.5	6%	0.058	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132	-178.6	0	0	0	0	0	110.2	Q380 E381 I382 F531	Q380-A405 PolarHBondContact O-N 3.25Å; E381-A405 HydrophobicContact CB-CB 4.08Å; E381-A405 HydrophobicContact CG-CB 4Å; I382-A405 PolarHBondContact N-O 3.13Å; I382-A405 VanDerWaalsContact N-O 3.08Å; A405-F531 HydrophobicContact CB-CD1 4.42Å; A405-F531 HydrophobicContact CB-CE1 3.8Å
406	L	97	Very high	95.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	112.8	170.6	178.2	58.2	0	0	0	108.9	I382 F397 L403 L408 F421 L427 K429 L430 D431	I382-L406 HydrophobicContact CB-CD1 3.86Å; I382-L406 HydrophobicContact CG2-CD1 3.89Å; I382-L406 WeakPolarHBondContact O-CA 3.46Å; F397-L406 HydrophobicContact CD2-CD2 4.34Å; F397-L406 HydrophobicContact CE1-CD1 3.89Å; F397-L406 HydrophobicContact CE1-CD2 4.38Å; F397-L406 HydrophobicContact CE2-CD2 4.18Å; F397-L406 HydrophobicContact CZ-CD1 3.95Å; F397-L406 HydrophobicContact CZ-CD2 4.21Å; L403-L406 HydrophobicContact CD2-CB 4.35Å; L406-L408 HydrophobicContact CD1-CD1 3.95Å; L406-L408 HydrophobicContact CD1-CG 3.99Å; L406-L408 HydrophobicContact CD2-CD1 3.81Å; L406-L408 HydrophobicContact CG-CD1 3.79Å; L406-L408 HydrophobicContact CG-CG 4.15Å; L406-F421 HydrophobicContact CD2-CE1 4.14Å; L406-L427 HydrophobicContact CB-CD1 4.06Å; L406-K429 PolarHBondContact N-O 2.73Å; L406-L430 HydrophobicContact CB-CD1 4.15Å; L406-L430 HydrophobicContact CD2-CD1 4Å; L406-L430 HydrophobicContact CG-CD1 4.06Å; L406-L430 WeakPolarHBondContact O-CA 3.05Å; L406-D431 PolarHBondContact O-N 3.31Å
407	D	97.6	Very high	95.2	Very high	16 Å²	16	43.5 Å²	43.5	9%	0.086	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.7	171.8	-172	-5.7	0	0	0	110.1	I382 L384 S409 D431	I382-D407 PolarHBondContact O-N 3.42Å; L384-D407 PolarHBondContact N-O 2.8Å; D407-S409 WeakPolarHBondContact OD1-CB 3.31Å; D407-S409 PolarHBondContact OD1-N 3.5Å; D407-S409 PolarHBondContact OD1-OG 3.28Å; D407-D431 HydrophobicContact CB-CB 4.41Å
408	L	97.3	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.			trans	-128.7	20.4	177.8	-74.8	162.9	0	0	0	110.6	L370 L384 I392 F397 L406 N411 I413 D431 L432 N435	L370-L408 HydrophobicContact CD1-CD2 4.47Å; L384-L408 HydrophobicContact CB-CD2 3.86Å; L384-L408 HydrophobicContact CD1-CD2 3.92Å; I392-L408 HydrophobicContact CD1-CD1 3.72Å; F397-L408 HydrophobicContact CE2-CD1 4.19Å; F397-L408 HydrophobicContact CZ-CD1 4.22Å; L406-L408 HydrophobicContact CD1-CD1 3.95Å; L406-L408 HydrophobicContact CD1-CG 3.99Å; L406-L408 HydrophobicContact CD2-CD1 3.81Å; L406-L408 HydrophobicContact CG-CD1 3.79Å; L406-L408 HydrophobicContact CG-CG 4.15Å; L408-N411 PolarHBondContact O-ND2 3.44Å; L408-I413 HydrophobicContact CB-CD1 3.96Å; L408-I413 HydrophobicContact CD2-CD1 4.29Å; L408-D431 PolarHBondContact N-O 3.42Å; L408-L432 HydrophobicContact CB-CD2 3.76Å; L408-L432 HydrophobicContact CD1-CD2 4.04Å; L408-N435 PolarHBondContact O-ND2 3.45Å
409	S	96.8	Very high	95.3	Very high	8 Å²	8	47.6 Å²	47.6	6%	0.056	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	159	-179.7	65.7	0	0	0	0	112.9	Q385 H386 D407 N411 T433	Q385-S409 VanDerWaalsContact CA-O 3.29Å; Q385-S409 WeakPolarHBondContact CA-O 3.39Å; Q385-S409 VanDerWaalsContact CB-OG 3.23Å; Q385-S409 WeakPolarHBondContact CB-OG 3.42Å; H386-S409 PolarHBondContact N-O 3.27Å; H386-S409 VanDerWaalsContact N-O 3.08Å; D407-S409 WeakPolarHBondContact OD1-CB 3.31Å; D407-S409 PolarHBondContact OD1-N 3.5Å; D407-S409 PolarHBondContact OD1-OG 3.28Å; S409-N411 PolarHBondContact O-N 3.41Å; S409-N411 VanDerWaalsContact O-N 3.12Å; S409-N411 PolarHBondContact O-ND2 2.67Å; S409-T433 CarbonylContact C-O 3.3Å; S409-T433 VanDerWaalsContact CA-O 3.27Å; S409-T433 WeakPolarHBondContact CA-O 3.29Å
410	W	96.6	Very high	95.6	Very high	133 Å²	133	43.2 Å²	43.2	50%	0.504	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	38.7	178.7	-62.1	95.8	0	0	0	114.4	H386 T433 E434	H386-W410 WeakPolarHBondContact CA-O 3.2Å; H386-W410 VanDerWaalsContact CE1-CB 3.48Å; H386-W410 WeakPolarHBondContact CE1-CB 3.49Å; H386-W410 AromaticContact CE1-CD1 3.51Å; H386-W410 AromaticContact CE1-CD2 3.52Å; H386-W410 AromaticContact CE1-CE2 3.95Å; H386-W410 AromaticContact CE1-CG 3.22Å; H386-W410 AromaticContact CE1-NE1 3.92Å; H386-W410 VanDerWaalsContact ND1-CB 3.31Å; H386-W410 WeakPolarHBondContact ND1-CB 3.46Å; H386-W410 AromaticContact ND1-CG 3.63Å; H386-W410 AromaticContact NE2-CD1 3.48Å; H386-W410 AromaticContact NE2-CG 3.67Å; H386-W410 AromaticContact NE2-NE1 3.9Å; W410-T433 PolarHBondContact N-O 3Å; W410-E434 HydrophobicContact CD2-CB 3.83Å; W410-E434 HydrophobicContact CD2-CG 4.11Å; W410-E434 HydrophobicContact CE3-CB 3.75Å; W410-E434 HydrophobicContact CE3-CG 4.08Å; W410-E434 HydrophobicContact CG-CB 4.37Å; W410-E434 HydrophobicContact CH2-CB 4.45Å; W410-E434 HydrophobicContact CH2-CG 3.86Å; W410-E434 HydrophobicContact CZ2-CG 3.88Å; W410-E434 HydrophobicContact CZ3-CB 4.07Å; W410-E434 HydrophobicContact CZ3-CG 3.95Å
411	N	97.4	Very high	95.7	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.037	21%	0.21	C	C	.	.	S	Bend	trans	-106.2	-169.5	173.2	-86.7	-94.4	0	0	0	110.1	L384 N387 Q388 V389 L408 S409 I413 N435	L384-N411 PolarHBondContact O-ND2 2.77Å; N387-N411 WeakPolarHBondContact CA-OD1 3.35Å; N387-N411 WeakPolarHBondContact CB-OD1 3.48Å; N387-N411 PolarHBondContact O-OD1 2.76Å; Q388-N411 PolarHBondContact N-OD1 2.79Å; V389-N411 HydrophobicContact CB-CB 4.45Å; V389-N411 VanDerWaalsContact CB-OD1 3.31Å; V389-N411 WeakPolarHBondContact CB-OD1 2.99Å; V389-N411 WeakPolarHBondContact CG2-OD1 3.41Å; V389-N411 PolarHBondContact N-OD1 2.84Å; L408-N411 PolarHBondContact O-ND2 3.44Å; S409-N411 PolarHBondContact O-N 3.41Å; S409-N411 VanDerWaalsContact O-N 3.12Å; S409-N411 PolarHBondContact O-ND2 2.67Å; N411-I413 HydrophobicContact CB-CD1 4.1Å; N411-I413 HydrophobicContact CB-CG1 3.94Å; N411-N435 WeakPolarHBondContact CA-OD1 3.29Å; N411-N435 WeakPolarHBondContact CB-OD1 3.49Å; N411-N435 PolarHBondContact O-OD1 3.41Å
412	T	96.2	Very high	95.8	Very high	48 Å²	48	42.4 Å²	42.4	29%	0.294	21%	0.205	S	C	.	.			trans	-117.8	34.4	177.8	53.5	0	0	0	0	112	Q388 V389 E414	Q388-T412 PolarHBondContact O-OG1 2.99Å; V389-T412 CarbonylContact O-C 3.11Å; V389-T412 WeakPolarHBondContact O-CA 3.29Å; V389-T412 PolarHBondContact O-N 3.47Å; V389-T412 PolarHBondContact O-OG1 2.96Å; T412-E414 PolarHBondContact O-N 2.68Å
413	I	97.2	Very high	95.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.193	C	C	.	.			trans	-69.9	114.7	-171.5	-53.5	165.5	0	0	0	109.8	V389 R390 I392 L408 N411 I416 L432 N435 R436 L437	V389-I413 HydrophobicContact CB-CG1 4.28Å; V389-I413 HydrophobicContact CG1-CG1 4.18Å; V389-I413 WeakPolarHBondContact O-CG1 3.01Å; V389-I413 PolarHBondContact O-N 3.21Å; V389-I413 VanDerWaalsContact O-N 3.09Å; R390-I413 WeakPolarHBondContact O-CA 3.39Å; I392-I413 HydrophobicContact CD1-CD1 4.26Å; I392-I413 HydrophobicContact CG1-CG2 4.3Å; L408-I413 HydrophobicContact CB-CD1 3.96Å; L408-I413 HydrophobicContact CD2-CD1 4.29Å; N411-I413 HydrophobicContact CB-CD1 4.1Å; N411-I413 HydrophobicContact CB-CG1 3.94Å; I413-I416 HydrophobicContact CG2-CG1 4.02Å; I413-L432 HydrophobicContact CD1-CD2 4.27Å; I413-N435 HydrophobicContact CB-CB 4.46Å; I413-N435 VanDerWaalsContact CB-OD1 3.31Å; I413-N435 WeakPolarHBondContact CB-OD1 3.09Å; I413-N435 VanDerWaalsContact CG1-OD1 3.23Å; I413-N435 WeakPolarHBondContact CG1-OD1 3.46Å; I413-N435 PolarHBondContact N-OD1 2.8Å; I413-R436 CarbonylContact O-C 3.08Å; I413-R436 WeakPolarHBondContact O-CA 3.34Å; I413-R436 WeakPolarHBondContact O-CB 3.25Å; I413-R436 PolarHBondContact O-N 2.98Å; I413-L437 HydrophobicContact CB-CD2 4.21Å; I413-L437 HydrophobicContact CG2-CD2 3.72Å; I413-L437 PolarHBondContact O-N 3.44Å
414	E	95.4	Very high	95.5	Very high	114 Å²	114	40.7 Å²	40.7	53%	0.533	19%	0.193	S	C	.	.			trans	-93.7	-28.8	178.1	-63.8	178.6	162.6	0	0	111.6	R390 T412 R436	R390-E414 PolarHBondContact O-N 3.34Å; T412-E414 PolarHBondContact O-N 2.68Å; E414-R436 HydrophobicContact CG-CB 4.05Å
415	W	95.8	Very high	95.2	Very high	118 Å²	118	40.8 Å²	40.8	45%	0.447	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.5	-173.2	-178.1	76.7	0	0	0	113.7	R391 I392 H417	R391-W415 WeakPolarHBondContact CA-O 3Å; R391-W415 HydrophobicContact CB-CE3 4.45Å; I392-W415 PolarHBondContact N-O 3.45Å; I392-W415 VanDerWaalsContact N-O 3.09Å; W415-H417 HydrophobicContact CH2-CB 3.66Å; W415-H417 AromaticContact CH2-CD2 3.64Å; W415-H417 AromaticContact CH2-CG 3.95Å; W415-H417 HydrophobicContact CZ2-CB 4.12Å; W415-H417 HydrophobicContact CZ3-CB 4Å
416	I	96.8	Very high	95	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.051	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.7	175.9	-54.8	-179.9	0	0	0	107.2	I392 I413 A420 F421 L432 L437 P441	I392-I416 HydrophobicContact CB-CB 4.48Å; I392-I416 HydrophobicContact CB-CG1 4.41Å; I392-I416 HydrophobicContact CB-CG2 4.12Å; I392-I416 HydrophobicContact CD1-CD1 3.99Å; I392-I416 HydrophobicContact CD1-CG1 3.88Å; I392-I416 HydrophobicContact CD1-CG2 4.29Å; I392-I416 HydrophobicContact CG1-CG1 4.29Å; I392-I416 HydrophobicContact CG2-CG2 4.43Å; I413-I416 HydrophobicContact CG2-CG1 4.02Å; I416-A420 HydrophobicContact CG2-CB 4.1Å; I416-F421 HydrophobicContact CD1-CE2 4.07Å; I416-F421 HydrophobicContact CD1-CZ 4.07Å; I416-F421 HydrophobicContact CG2-CD2 4.47Å; I416-F421 HydrophobicContact CG2-CE1 4.5Å; I416-F421 HydrophobicContact CG2-CE2 3.9Å; I416-F421 HydrophobicContact CG2-CZ 3.92Å; I416-L432 HydrophobicContact CD1-CD1 4.2Å; I416-L432 HydrophobicContact CD1-CD2 4.31Å; I416-L437 HydrophobicContact CD1-CD1 4.15Å; I416-L437 HydrophobicContact CD1-CD2 3.73Å; I416-L437 HydrophobicContact CG1-CD2 3.77Å; I416-P441 HydrophobicContact CB-CG 4.33Å; I416-P441 HydrophobicContact CG2-CG 3.69Å
417	H	96.6	Very high	94.9	Very high	45 Å²	45	43.2 Å²	43.2	21%	0.208	22%	0.216	C	C	.	.			trans	-61.1	134.5	176.6	-173.2	-67.1	0	0	0	110.5	I392 W415 D419 A420	I392-H417 WeakPolarHBondContact O-CB 3.43Å; I392-H417 PolarHBondContact O-N 3.18Å; W415-H417 HydrophobicContact CH2-CB 3.66Å; W415-H417 AromaticContact CH2-CD2 3.64Å; W415-H417 AromaticContact CH2-CG 3.95Å; W415-H417 HydrophobicContact CZ2-CB 4.12Å; W415-H417 HydrophobicContact CZ3-CB 4Å; H417-D419 VanDerWaalsContact C-N 3.29Å; H417-D419 IonicContact CE1-OD2 3.43Å; H417-D419 PolarHBondContact CE1-OD2 2.91Å; H417-D419 VanDerWaalsContact CE1-OD2 3.27Å; H417-D419 PolarHBondContact ND1-N 3.09Å; H417-D419 VanDerWaalsContact ND1-N 3.14Å; H417-D419 IonicContact ND1-OD2 2.72Å; H417-D419 PolarHBondContact O-N 3.06Å; H417-D419 VanDerWaalsContact O-N 3.13Å; H417-A420 HydrophobicContact CB-CB 4.31Å; H417-A420 WeakPolarHBondContact O-CB 3.24Å; H417-A420 PolarHBondContact O-N 3.29Å
418	P	94.4	Very high	94.7	Very high	74 Å²	74	44.9 Å²	44.9	48%	0.481	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-49.7	-43.7	-176.3	-31.8	36.2	0	0	0	115.1	A420 P441	P418-A420 VanDerWaalsContact C-N 3.35Å; P418-A420 PolarHBondContact O-N 3.43Å; P418-P441 WeakPolarHBondContact O-CB 3.12Å
419	D	94.3	Very high	94.6	Very high	86 Å²	86	45 Å²	45	46%	0.46	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-77.4	-7.4	179.6	-58.5	-55.4	0	0	0	115.9	H417 F421 T422	H417-D419 VanDerWaalsContact C-N 3.29Å; H417-D419 IonicContact CE1-OD2 3.43Å; H417-D419 PolarHBondContact CE1-OD2 2.91Å; H417-D419 VanDerWaalsContact CE1-OD2 3.27Å; H417-D419 PolarHBondContact ND1-N 3.09Å; H417-D419 VanDerWaalsContact ND1-N 3.14Å; H417-D419 IonicContact ND1-OD2 2.72Å; H417-D419 PolarHBondContact O-N 3.06Å; H417-D419 VanDerWaalsContact O-N 3.13Å; D419-F421 VanDerWaalsContact C-N 3.25Å; D419-F421 PolarHBondContact O-N 3.42Å; D419-F421 VanDerWaalsContact O-N 3.12Å; D419-T422 HydrophobicContact CB-CG2 4.13Å; D419-T422 WeakPolarHBondContact O-CB 2.97Å; D419-T422 WeakPolarHBondContact O-CG2 3.3Å; D419-T422 PolarHBondContact O-N 3.46Å; D419-T422 PolarHBondContact O-OG1 3.43Å
420	A	95.4	Very high	94.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-60	-29.5	-167.8	0	0	0	0	0	114.7	I392 I416 H417 P418	I392-A420 HydrophobicContact CG2-CB 3.95Å; I416-A420 HydrophobicContact CG2-CB 4.1Å; H417-A420 HydrophobicContact CB-CB 4.31Å; H417-A420 WeakPolarHBondContact O-CB 3.24Å; H417-A420 PolarHBondContact O-N 3.29Å; P418-A420 VanDerWaalsContact C-N 3.35Å; P418-A420 PolarHBondContact O-N 3.43Å
421	F	95.1	Very high	94.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-102.9	0.3	179.8	-57.7	-32.4	0	0	0	114	I392 F397 L406 I416 D419 S423 L424 L430 P441 A443 L445	I392-F421 HydrophobicContact CD1-CE1 4.35Å; I392-F421 HydrophobicContact CD1-CZ 4.08Å; F397-F421 HydrophobicContact CD2-CD1 4.48Å; F397-F421 HydrophobicContact CD2-CE1 4.04Å; F397-F421 HydrophobicContact CE2-CE1 4.45Å; L406-F421 HydrophobicContact CD2-CE1 4.14Å; I416-F421 HydrophobicContact CD1-CE2 4.07Å; I416-F421 HydrophobicContact CD1-CZ 4.07Å; I416-F421 HydrophobicContact CG2-CD2 4.47Å; I416-F421 HydrophobicContact CG2-CE1 4.5Å; I416-F421 HydrophobicContact CG2-CE2 3.9Å; I416-F421 HydrophobicContact CG2-CZ 3.92Å; D419-F421 VanDerWaalsContact C-N 3.25Å; D419-F421 PolarHBondContact O-N 3.42Å; D419-F421 VanDerWaalsContact O-N 3.12Å; F421-S423 PolarHBondContact O-N 3.02Å; F421-S423 VanDerWaalsContact O-N 3.09Å; F421-L424 HydrophobicContact CB-CD1 4.05Å; F421-L424 HydrophobicContact CD1-CD1 3.61Å; F421-L424 HydrophobicContact CE1-CD1 4.47Å; F421-L424 HydrophobicContact CG-CD1 4.16Å; F421-L424 WeakPolarHBondContact O-CB 3.3Å; F421-L424 PolarHBondContact O-N 2.91Å; F421-L430 HydrophobicContact CE2-CD2 4.13Å; F421-P441 HydrophobicContact CD2-CG 3.88Å; F421-P441 HydrophobicContact CE2-CG 4.23Å; F421-A443 CarbonylContact C-O 3.21Å; F421-L445 HydrophobicContact CB-CD2 3.81Å; F421-L445 HydrophobicContact CB-CG 4.22Å; F421-L445 HydrophobicContact CD2-CD1 4Å; F421-L445 HydrophobicContact CD2-CD2 4.07Å; F421-L445 HydrophobicContact CD2-CG 4.28Å; F421-L445 HydrophobicContact CG-CD2 4.14Å
422	T	92.8	Very high	94.6	Very high	46 Å²	46	38.6 Å²	38.6	28%	0.282	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.9	-172.3	52	0	0	0	0	114.8	D419 H425 A443	D419-T422 HydrophobicContact CB-CG2 4.13Å; D419-T422 WeakPolarHBondContact O-CB 2.97Å; D419-T422 WeakPolarHBondContact O-CG2 3.3Å; D419-T422 PolarHBondContact O-N 3.46Å; D419-T422 PolarHBondContact O-OG1 3.43Å; T422-H425 PolarHBondContact O-CE1 2.75Å; T422-A443 HydrophobicContact CG2-CB 3.84Å; T422-A443 PolarHBondContact N-O 2.81Å
423	S	90.7	Very high	94.6	Very high	6 Å²	6	37 Å²	37	4%	0.042	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.7	179.1	46.1	0	0	0	0	115	F397 Q398 Q399 F421 H425	F397-S423 PolarHBondContact O-OG 2.9Å; Q398-S423 WeakPolarHBondContact CA-OG 3.34Å; Q399-S423 PolarHBondContact N-OG 2.85Å; F421-S423 PolarHBondContact O-N 3.02Å; F421-S423 VanDerWaalsContact O-N 3.09Å; S423-H425 VanDerWaalsContact C-ND1 3.33Å; S423-H425 PolarHBondContact O-N 3.17Å; S423-H425 PolarHBondContact O-ND1 3.31Å
424	L	92.3	Very high	94.5	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.205	C	C	.	.			trans	-83.4	46.6	-169	-56.3	-174.6	0	0	0	113.5	F397 L400 L403 F421 S426 L427	F397-L424 HydrophobicContact CB-CD1 4.25Å; F397-L424 HydrophobicContact CB-CD2 4.29Å; F397-L424 WeakPolarHBondContact O-CD2 3.38Å; L400-L424 HydrophobicContact CB-CD2 3.77Å; L403-L424 HydrophobicContact CB-CD2 4.4Å; L403-L424 HydrophobicContact CD2-CD1 4.3Å; L403-L424 HydrophobicContact CD2-CD2 3.95Å; F421-L424 HydrophobicContact CB-CD1 4.05Å; F421-L424 HydrophobicContact CD1-CD1 3.61Å; F421-L424 HydrophobicContact CE1-CD1 4.47Å; F421-L424 HydrophobicContact CG-CD1 4.16Å; F421-L424 WeakPolarHBondContact O-CB 3.3Å; F421-L424 PolarHBondContact O-N 2.91Å; L424-S426 PolarHBondContact O-N 3.01Å; L424-L427 HydrophobicContact CB-CB 4.08Å; L424-L427 HydrophobicContact CB-CD2 4.44Å; L424-L427 HydrophobicContact CD1-CD2 4.15Å; L424-L427 VanDerWaalsContact O-CB 3.26Å; L424-L427 WeakPolarHBondContact O-CB 3.37Å; L424-L427 PolarHBondContact O-N 2.03Å
425	H	88.3	Confident	94.6	Very high	136 Å²	136	35.1 Å²	35.1	63%	0.63	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-20.8	-174.1	-59.8	84.5	0	0	0	115.1	T422 S423	T422-H425 PolarHBondContact O-CE1 2.75Å; S423-H425 VanDerWaalsContact C-ND1 3.33Å; S423-H425 PolarHBondContact O-N 3.17Å; S423-H425 PolarHBondContact O-ND1 3.31Å
426	S	91.9	Very high	94.6	Very high	56 Å²	56	36.7 Å²	36.7	39%	0.392	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	3.6	179.8	-58.8	0	0	0	0	113.5	T401 L403 L424 I428	T401-S426 VanDerWaalsContact O-CB 3.23Å; T401-S426 WeakPolarHBondContact O-CB 3.41Å; T401-S426 PolarHBondContact O-OG 3.15Å; L403-S426 CarbonylContact O-C 3.35Å; L403-S426 WeakPolarHBondContact O-CB 3.45Å; L403-S426 VanDerWaalsContact O-O 3.1Å; L424-S426 PolarHBondContact O-N 3.01Å; S426-I428 WeakPolarHBondContact O-CG1 3.43Å; S426-I428 PolarHBondContact O-N 3.33Å
427	L	94.6	Very high	94.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.185	C	C	.	.			trans	-71.8	119.8	-173.9	-163.1	73.8	0	0	0	110.5	L403 L406 L424 L430 L445 G447 L448	L403-L427 HydrophobicContact CD2-CD1 4Å; L403-L427 HydrophobicContact CG-CD1 3.95Å; L403-L427 WeakPolarHBondContact O-CA 3.42Å; L403-L427 PolarHBondContact O-N 2.97Å; L403-L427 VanDerWaalsContact O-N 3.17Å; L406-L427 HydrophobicContact CB-CD1 4.06Å; L424-L427 HydrophobicContact CB-CB 4.08Å; L424-L427 HydrophobicContact CB-CD2 4.44Å; L424-L427 HydrophobicContact CD1-CD2 4.15Å; L424-L427 VanDerWaalsContact O-CB 3.26Å; L424-L427 WeakPolarHBondContact O-CB 3.37Å; L424-L427 PolarHBondContact O-N 2.03Å; L427-L430 HydrophobicContact CD2-CB 4.18Å; L427-L445 HydrophobicContact CD2-CD2 3.81Å; L427-G447 CarbonylContact O-C 3.1Å; L427-G447 VanDerWaalsContact O-C 3.26Å; L427-L448 HydrophobicContact CB-CD2 4.35Å; L427-L448 HydrophobicContact CD2-CD2 3.95Å; L427-L448 HydrophobicContact CG-CD2 3.91Å; L427-L448 PolarHBondContact O-N 2.9Å
428	I	93.9	Very high	94.3	Very high	52 Å²	52	37.3 Å²	37.3	27%	0.267	20%	0.197	S	C	.	.			trans	-99.5	-34.4	-176.6	-62.5	175.9	0	0	0	110.1	R404 S426 T449 H450	R404-I428 HydrophobicContact CB-CD1 4.34Å; R404-I428 HydrophobicContact CG-CD1 4.32Å; R404-I428 PolarHBondContact O-N 3.02Å; S426-I428 WeakPolarHBondContact O-CG1 3.43Å; S426-I428 PolarHBondContact O-N 3.33Å; I428-T449 HydrophobicContact CG2-CG2 4.19Å; I428-T449 WeakPolarHBondContact CG2-OG1 3.3Å; I428-T449 PolarHBondContact O-N 2.82Å; I428-T449 PolarHBondContact O-OG1 2.87Å; I428-H450 PolarHBondContact O-N 2.64Å; I428-H450 VanDerWaalsContact O-N 3.13Å
429	K	94.5	Very high	94.3	Very high	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	138.6	-177.7	-48.1	-163.1	120.6	-165	0	112.2	R404 L406 H450 F531 E534 I535	R404-K429 PolarHBondContact O-N 3.25Å; L406-K429 PolarHBondContact N-O 2.73Å; K429-H450 WeakPolarHBondContact CA-O 3.31Å; K429-H450 HydrophobicContact CB-CB 4.26Å; K429-H450 HydrophobicContact CD-CB 4.34Å; K429-H450 WeakPolarHBondContact CE-CD2 3.35Å; K429-H450 VanDerWaalsContact CE-ND1 3.28Å; K429-H450 WeakPolarHBondContact CE-ND1 3.13Å; K429-H450 HydrophobicContact CG-CB 4.06Å; K429-H450 PolarHBondContact NZ-CD2 3.32Å; K429-F531 HydrophobicContact CB-CE1 3.53Å; K429-F531 HydrophobicContact CB-CE2 4.24Å; K429-F531 HydrophobicContact CB-CZ 3.36Å; K429-F531 HydrophobicContact CD-CD1 3.68Å; K429-F531 HydrophobicContact CD-CD2 4.35Å; K429-F531 HydrophobicContact CD-CE1 3.51Å; K429-F531 HydrophobicContact CD-CE2 4.2Å; K429-F531 HydrophobicContact CD-CG 4.13Å; K429-F531 HydrophobicContact CD-CZ 3.81Å; K429-F531 WeakPolarHBondContact CD-O 3.2Å; K429-F531 WeakPolarHBondContact CE-O 3.18Å; K429-F531 HydrophobicContact CG-CE1 4.07Å; K429-F531 HydrophobicContact CG-CZ 4.22Å; K429-F531 PolarHBondContact NZ-O 3.25Å; K429-E534 IonicContact NZ-OE2 2.57Å; K429-E534 PolarHBondContact NZ-OE2 2.03Å; K429-I535 HydrophobicContact CD-CD1 4.02Å; K429-I535 HydrophobicContact CD-CG1 3.67Å; K429-I535 HydrophobicContact CG-CG1 4.4Å
430	L	96.8	Very high	94.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	122.3	173	176.5	58.5	0	0	0	109.8	L406 F421 L427 L432 L445 L448 H450 L451 K452	L406-L430 HydrophobicContact CB-CD1 4.15Å; L406-L430 HydrophobicContact CD2-CD1 4Å; L406-L430 HydrophobicContact CG-CD1 4.06Å; L406-L430 WeakPolarHBondContact O-CA 3.05Å; F421-L430 HydrophobicContact CE2-CD2 4.13Å; L427-L430 HydrophobicContact CD2-CB 4.18Å; L430-L432 HydrophobicContact CD1-CD1 4.18Å; L430-L432 HydrophobicContact CD1-CG 4.05Å; L430-L432 HydrophobicContact CD2-CD1 3.88Å; L430-L432 HydrophobicContact CG-CD1 3.97Å; L430-L432 HydrophobicContact CG-CG 4.14Å; L430-L445 HydrophobicContact CD2-CD1 3.92Å; L430-L445 HydrophobicContact CD2-CD2 4.23Å; L430-L448 HydrophobicContact CB-CD1 4.03Å; L430-L448 HydrophobicContact CB-CD2 3.9Å; L430-L448 HydrophobicContact CD2-CD1 4.26Å; L430-H450 PolarHBondContact N-O 3.22Å; L430-H450 VanDerWaalsContact N-O 3.08Å; L430-L451 HydrophobicContact CB-CD1 4.1Å; L430-L451 HydrophobicContact CD2-CD1 4.01Å; L430-L451 HydrophobicContact CG-CD1 4.08Å; L430-L451 WeakPolarHBondContact O-CA 3.28Å; L430-K452 PolarHBondContact O-N 3.01Å
431	D	97.4	Very high	94.2	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.2	170.5	-156.7	-32.4	0	0	0	110.9	L406 D407 L408 T433 K452 F531	L406-D431 PolarHBondContact O-N 3.31Å; D407-D431 HydrophobicContact CB-CB 4.41Å; L408-D431 PolarHBondContact N-O 3.42Å; D431-T433 WeakPolarHBondContact OD1-CB 3.16Å; D431-T433 PolarHBondContact OD1-N 3.14Å; D431-T433 PolarHBondContact OD1-OG1 3.27Å; D431-K452 HydrophobicContact CB-CB 4.25Å; D431-K452 WeakPolarHBondContact OD1-CB 3.32Å; D431-K452 WeakPolarHBondContact OD2-CB 3.39Å; D431-K452 WeakPolarHBondContact OD2-CD 3.43Å; D431-F531 HydrophobicContact CB-CE2 4.14Å
432	L	97	Very high	94.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.			trans	-135.1	22.3	178.8	-71	166.3	0	0	0	110.3	L408 I413 I416 L430 N435 L437 V440 K452 L453 N456	L408-L432 HydrophobicContact CB-CD2 3.76Å; L408-L432 HydrophobicContact CD1-CD2 4.04Å; I413-L432 HydrophobicContact CD1-CD2 4.27Å; I416-L432 HydrophobicContact CD1-CD1 4.2Å; I416-L432 HydrophobicContact CD1-CD2 4.31Å; L430-L432 HydrophobicContact CD1-CD1 4.18Å; L430-L432 HydrophobicContact CD1-CG 4.05Å; L430-L432 HydrophobicContact CD2-CD1 3.88Å; L430-L432 HydrophobicContact CG-CD1 3.97Å; L430-L432 HydrophobicContact CG-CG 4.14Å; L432-N435 WeakPolarHBondContact O-CB 3.35Å; L432-N435 PolarHBondContact O-ND2 3.36Å; L432-N435 VanDerWaalsContact O-ND2 3.13Å; L432-L437 HydrophobicContact CB-CD1 3.88Å; L432-L437 HydrophobicContact CD1-CD1 3.94Å; L432-L437 HydrophobicContact CD2-CD1 4.19Å; L432-L437 HydrophobicContact CG-CD1 4.23Å; L432-V440 HydrophobicContact CD1-CG1 4.23Å; L432-K452 CarbonylContact C-O 2.98Å; L432-K452 PolarHBondContact N-O 3.05Å; L432-L453 HydrophobicContact CB-CD2 4.02Å; L432-L453 HydrophobicContact CD1-CD2 4.06Å; L432-N456 PolarHBondContact O-ND2 3.3Å
433	T	95.6	Very high	94	Very high	15 Å²	15	37 Å²	37	9%	0.092	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	145.3	-176.2	-63.5	0	0	0	0	112.5	S409 W410 D431 N435 K452 R454	S409-T433 CarbonylContact C-O 3.3Å; S409-T433 VanDerWaalsContact CA-O 3.27Å; S409-T433 WeakPolarHBondContact CA-O 3.29Å; W410-T433 PolarHBondContact N-O 3Å; D431-T433 WeakPolarHBondContact OD1-CB 3.16Å; D431-T433 PolarHBondContact OD1-N 3.14Å; D431-T433 PolarHBondContact OD1-OG1 3.27Å; T433-N435 VanDerWaalsContact C-N 3.33Å; T433-N435 PolarHBondContact O-N 2.03Å; T433-N435 PolarHBondContact O-ND2 2.78Å; T433-K452 PolarHBondContact N-O 3.35Å; T433-K452 WeakPolarHBondContact OG1-CB 3.3Å; T433-R454 CarbonylContact C-O 3.17Å; T433-R454 VanDerWaalsContact CA-O 3.31Å; T433-R454 WeakPolarHBondContact CA-O 3.26Å; T433-R454 HydrophobicContact CG2-CB 4.19Å; T433-R454 HydrophobicContact CG2-CG 4.43Å
434	E	94.9	Very high	93.7	Very high	66 Å²	66	38.1 Å²	38.1	31%	0.308	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	46.3	179.6	-59.7	-65.2	162.3	0	0	113.8	W410 R454 G455	W410-E434 HydrophobicContact CD2-CB 3.83Å; W410-E434 HydrophobicContact CD2-CG 4.11Å; W410-E434 HydrophobicContact CE3-CB 3.75Å; W410-E434 HydrophobicContact CE3-CG 4.08Å; W410-E434 HydrophobicContact CG-CB 4.37Å; W410-E434 HydrophobicContact CH2-CB 4.45Å; W410-E434 HydrophobicContact CH2-CG 3.86Å; W410-E434 HydrophobicContact CZ2-CG 3.88Å; W410-E434 HydrophobicContact CZ3-CB 4.07Å; W410-E434 HydrophobicContact CZ3-CG 3.95Å; E434-R454 PolarHBondContact N-O 2.59Å; E434-G455 WeakPolarHBondContact OE1-CA 3.31Å; E434-G455 WeakPolarHBondContact OE2-CA 3.45Å
435	N	96.9	Very high	93.7	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.048	22%	0.218	C	C	.	.	S	Bend	trans	-106.7	-168.9	170.5	-85.2	-84	0	0	0	111.8	L408 N411 I413 L432 T433 L437 N456	L408-N435 PolarHBondContact O-ND2 3.45Å; N411-N435 WeakPolarHBondContact CA-OD1 3.29Å; N411-N435 WeakPolarHBondContact CB-OD1 3.49Å; N411-N435 PolarHBondContact O-OD1 3.41Å; I413-N435 HydrophobicContact CB-CB 4.46Å; I413-N435 VanDerWaalsContact CB-OD1 3.31Å; I413-N435 WeakPolarHBondContact CB-OD1 3.09Å; I413-N435 VanDerWaalsContact CG1-OD1 3.23Å; I413-N435 WeakPolarHBondContact CG1-OD1 3.46Å; I413-N435 PolarHBondContact N-OD1 2.8Å; L432-N435 WeakPolarHBondContact O-CB 3.35Å; L432-N435 PolarHBondContact O-ND2 3.36Å; L432-N435 VanDerWaalsContact O-ND2 3.13Å; T433-N435 VanDerWaalsContact C-N 3.33Å; T433-N435 PolarHBondContact O-N 2.03Å; T433-N435 PolarHBondContact O-ND2 2.78Å; N435-L437 HydrophobicContact CB-CD1 4.43Å; N435-L437 HydrophobicContact CB-CG 4.21Å; N435-N456 WeakPolarHBondContact CA-OD1 3.32Å; N435-N456 WeakPolarHBondContact CB-OD1 3.2Å; N435-N456 PolarHBondContact O-OD1 2.97Å
436	R	95.6	Very high	93.7	Very high	151 Å²	151	33.1 Å²	33.1	57%	0.57	20%	0.203	S	C	*	.			trans	-115.8	29.9	-177.3	-62.8	-179.5	173.4	-123.8	-8.3	112.7	I413 E414 N456	I413-R436 CarbonylContact O-C 3.08Å; I413-R436 WeakPolarHBondContact O-CA 3.34Å; I413-R436 WeakPolarHBondContact O-CB 3.25Å; I413-R436 PolarHBondContact O-N 2.98Å; E414-R436 HydrophobicContact CG-CB 4.05Å; R436-N456 PolarHBondContact N-OD1 3.06Å
437	L	95.8	Very high	93.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.193	C	C	.	.			trans	-73.1	138.3	-174.4	-60.1	169.6	0	0	0	111.4	I413 I416 L432 N435 V440 N456 D458 L459	I413-L437 HydrophobicContact CB-CD2 4.21Å; I413-L437 HydrophobicContact CG2-CD2 3.72Å; I413-L437 PolarHBondContact O-N 3.44Å; I416-L437 HydrophobicContact CD1-CD1 4.15Å; I416-L437 HydrophobicContact CD1-CD2 3.73Å; I416-L437 HydrophobicContact CG1-CD2 3.77Å; L432-L437 HydrophobicContact CB-CD1 3.88Å; L432-L437 HydrophobicContact CD1-CD1 3.94Å; L432-L437 HydrophobicContact CD2-CD1 4.19Å; L432-L437 HydrophobicContact CG-CD1 4.23Å; N435-L437 HydrophobicContact CB-CD1 4.43Å; N435-L437 HydrophobicContact CB-CG 4.21Å; L437-V440 HydrophobicContact CD1-CG2 4.21Å; L437-N456 HydrophobicContact CB-CB 4.36Å; L437-N456 VanDerWaalsContact CB-OD1 3.27Å; L437-N456 WeakPolarHBondContact CB-OD1 3.32Å; L437-N456 WeakPolarHBondContact CG-OD1 3.15Å; L437-N456 PolarHBondContact N-OD1 2.86Å; L437-D458 CarbonylContact O-C 3.16Å; L437-L459 WeakPolarHBondContact O-CB 3.47Å; L437-L459 PolarHBondContact O-N 3.23Å
438	S	93.1	Very high	93.5	Very high	67 Å²	67	31.3 Å²	31.3	47%	0.469	19%	0.193	S	C	.	.	S	Bend	trans	-104.7	-18.2	170.2	52.8	0	0	0	0	113.1
439	S	93.6	Very high	93.4	Very high	70 Å²	70	29.5 Å²	29.5	49%	0.49	19%	0.185	S	C	.	.			trans	-157.2	159.8	177.1	55.3	0	0	0	0	110.1
440	V	94.1	Very high	93.3	Very high	15 Å²	15	29.6 Å²	29.6	9%	0.091	19%	0.185	C	C	.	.			trans	-134.2	130.3	177.3	-173.7	0	0	0	0	109.1	L432 L437 V442 L453 L459 F463	L432-V440 HydrophobicContact CD1-CG1 4.23Å; L437-V440 HydrophobicContact CD1-CG2 4.21Å; V440-V442 PolarHBondContact O-N 2.85Å; V440-L453 HydrophobicContact CG2-CD2 3.78Å; V440-L459 HydrophobicContact CG2-CD1 4.2Å; V440-L459 HydrophobicContact CG2-CD2 4.15Å; V440-F463 HydrophobicContact CB-CE1 4.25Å; V440-F463 HydrophobicContact CB-CZ 3.98Å; V440-F463 HydrophobicContact CG2-CZ 4.22Å
441	P	94.2	Very high	93.2	Very high	21 Å²	21	29.5 Å²	29.5	14%	0.136	19%	0.185	C	C	.	.			trans	-74.9	121.3	178.7	27.9	-31.5	0	0	0	111.8	I416 P418 F421 A443 L445	I416-P441 HydrophobicContact CB-CG 4.33Å; I416-P441 HydrophobicContact CG2-CG 3.69Å; P418-P441 WeakPolarHBondContact O-CB 3.12Å; F421-P441 HydrophobicContact CD2-CG 3.88Å; F421-P441 HydrophobicContact CE2-CG 4.23Å; P441-A443 VanDerWaalsContact C-N 3.32Å; P441-L445 WeakPolarHBondContact O-CD1 3.23Å
442	V	91.5	Very high	93	Very high	50 Å²	50	30.3 Å²	30.3	30%	0.303	19%	0.188	S	C	.	.			trans	-78.6	-10.8	177.2	-69.7	0	0	0	0	114.2	V440 G444 L445 F463 H467 F468	V440-V442 PolarHBondContact O-N 2.85Å; V442-G444 PolarHBondContact O-N 2.97Å; V442-L445 PolarHBondContact O-N 2.63Å; V442-F463 HydrophobicContact CG1-CD1 3.7Å; V442-F463 HydrophobicContact CG1-CE1 3.98Å; V442-H467 HydrophobicContact CB-CB 4.36Å; V442-H467 HydrophobicContact CG1-CB 4.15Å; V442-F468 HydrophobicContact CG1-CE1 4.44Å; V442-F468 HydrophobicContact CG1-CE2 4.4Å; V442-F468 HydrophobicContact CG1-CZ 3.85Å
443	A	90.6	Very high	93	Very high	46 Å²	46	30.3 Å²	30.3	38%	0.38	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	120.6	-176.1	0	0	0	0	0	111.5	F421 T422 P441	F421-A443 CarbonylContact C-O 3.21Å; T422-A443 HydrophobicContact CG2-CB 3.84Å; T422-A443 PolarHBondContact N-O 2.81Å; P441-A443 VanDerWaalsContact C-N 3.32Å
444	G	85.3	Confident	92.8	Very high	29 Å²	29	33.7 Å²	33.7	30%	0.299	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-18.8	-175.3	0	0	0	0	0	114.8	V442 G446	V442-G444 PolarHBondContact O-N 2.97Å; G444-G446 VanDerWaalsContact C-N 3.33Å; G444-G446 PolarHBondContact O-N 2.89Å
445	L	91.4	Very high	92.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-83.8	6.6	-172.2	-62.2	-172.8	0	0	0	115.7	F421 L427 L430 P441 V442 G447 L448 F468	F421-L445 HydrophobicContact CB-CD2 3.81Å; F421-L445 HydrophobicContact CB-CG 4.22Å; F421-L445 HydrophobicContact CD2-CD1 4Å; F421-L445 HydrophobicContact CD2-CD2 4.07Å; F421-L445 HydrophobicContact CD2-CG 4.28Å; F421-L445 HydrophobicContact CG-CD2 4.14Å; L427-L445 HydrophobicContact CD2-CD2 3.81Å; L430-L445 HydrophobicContact CD2-CD1 3.92Å; L430-L445 HydrophobicContact CD2-CD2 4.23Å; P441-L445 WeakPolarHBondContact O-CD1 3.23Å; V442-L445 PolarHBondContact O-N 2.63Å; L445-G447 PolarHBondContact O-N 2.81Å; L445-L448 HydrophobicContact CB-CD1 3.92Å; L445-L448 HydrophobicContact CB-CG 4.21Å; L445-L448 HydrophobicContact CD1-CD1 4.05Å; L445-L448 HydrophobicContact CD2-CD1 4.18Å; L445-L448 HydrophobicContact CD2-CG 4.46Å; L445-L448 HydrophobicContact CG-CD1 4.29Å; L445-L448 WeakPolarHBondContact O-CB 3.29Å; L445-L448 WeakPolarHBondContact O-CG 3.42Å; L445-L448 PolarHBondContact O-N 2.87Å; L445-F468 HydrophobicContact CB-CE1 3.87Å; L445-F468 HydrophobicContact CD1-CE1 4.47Å
446	G	88.4	Confident	92.3	Very high	31 Å²	31	30.9 Å²	30.9	32%	0.32	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-65.7	-7.9	-175.5	0	0	0	0	0	115.9	G444	G444-G446 VanDerWaalsContact C-N 3.33Å; G444-G446 PolarHBondContact O-N 2.89Å
447	G	89.4	Confident	91.9	Very high	19 Å²	19	29.2 Å²	29.2	20%	0.196	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-88.9	-6	171.5	0	0	0	0	0	114.8	L427 L445 T449	L427-G447 CarbonylContact O-C 3.1Å; L427-G447 VanDerWaalsContact O-C 3.26Å; L445-G447 PolarHBondContact O-N 2.81Å; G447-T449 PolarHBondContact O-N 2.72Å
448	L	93.1	Very high	91.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.208	C	C	.	.			trans	-62.7	136.7	-177.1	-76.8	-177.1	0	0	0	112.3	L427 L430 L445 L451 F468 Q470 M471	L427-L448 HydrophobicContact CB-CD2 4.35Å; L427-L448 HydrophobicContact CD2-CD2 3.95Å; L427-L448 HydrophobicContact CG-CD2 3.91Å; L427-L448 PolarHBondContact O-N 2.9Å; L430-L448 HydrophobicContact CB-CD1 4.03Å; L430-L448 HydrophobicContact CB-CD2 3.9Å; L430-L448 HydrophobicContact CD2-CD1 4.26Å; L445-L448 HydrophobicContact CB-CD1 3.92Å; L445-L448 HydrophobicContact CB-CG 4.21Å; L445-L448 HydrophobicContact CD1-CD1 4.05Å; L445-L448 HydrophobicContact CD2-CD1 4.18Å; L445-L448 HydrophobicContact CD2-CG 4.46Å; L445-L448 HydrophobicContact CG-CD1 4.29Å; L445-L448 WeakPolarHBondContact O-CB 3.29Å; L445-L448 WeakPolarHBondContact O-CG 3.42Å; L445-L448 PolarHBondContact O-N 2.87Å; L448-L451 HydrophobicContact CD1-CB 4.32Å; L448-L451 HydrophobicContact CD1-CD1 4.15Å; L448-L451 HydrophobicContact CD1-CD2 4.32Å; L448-F468 HydrophobicContact CB-CD1 4.46Å; L448-F468 HydrophobicContact CD1-CE1 4.18Å; L448-Q470 CarbonylContact O-C 3.49Å; L448-Q470 VanDerWaalsContact O-C 3.29Å; L448-M471 PolarHBondContact O-N 2.82Å
449	T	91.3	Very high	91.6	Very high	15 Å²	15	30.2 Å²	30.2	9%	0.092	19%	0.186	C	C	.	.	S	Bend	trans	-112.7	-25.8	171.3	65.6	0	0	0	0	111.8	I428 G447 Q470 M471 R472 V473	I428-T449 HydrophobicContact CG2-CG2 4.19Å; I428-T449 WeakPolarHBondContact CG2-OG1 3.3Å; I428-T449 PolarHBondContact O-N 2.82Å; I428-T449 PolarHBondContact O-OG1 2.87Å; G447-T449 PolarHBondContact O-N 2.72Å; T449-Q470 WeakPolarHBondContact CA-O 3.48Å; T449-Q470 HydrophobicContact CG2-CB 4.29Å; T449-M471 VanDerWaalsContact C-CE 3.49Å; T449-M471 WeakPolarHBondContact O-CE 3.02Å; T449-R472 WeakPolarHBondContact O-CA 3.36Å; T449-R472 WeakPolarHBondContact O-CB 3.31Å; T449-R472 PolarHBondContact O-N 2.95Å; T449-V473 PolarHBondContact O-N 2.95Å
450	H	92.8	Very high	91.5	Very high	2 Å²	2	30 Å²	30	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.3	175.9	-59.2	67.6	0	0	0	110.6	I428 K429 L430 M471 V473 E534 S538	I428-H450 PolarHBondContact O-N 2.64Å; I428-H450 VanDerWaalsContact O-N 3.13Å; K429-H450 WeakPolarHBondContact CA-O 3.31Å; K429-H450 HydrophobicContact CB-CB 4.26Å; K429-H450 HydrophobicContact CD-CB 4.34Å; K429-H450 WeakPolarHBondContact CE-CD2 3.35Å; K429-H450 VanDerWaalsContact CE-ND1 3.28Å; K429-H450 WeakPolarHBondContact CE-ND1 3.13Å; K429-H450 HydrophobicContact CG-CB 4.06Å; K429-H450 PolarHBondContact NZ-CD2 3.32Å; L430-H450 PolarHBondContact N-O 3.22Å; L430-H450 VanDerWaalsContact N-O 3.08Å; H450-M471 VanDerWaalsContact C-CE 3.5Å; H450-V473 VanDerWaalsContact CA-O 3.28Å; H450-V473 WeakPolarHBondContact CA-O 3.14Å; H450-E534 IonicContact CD2-OE2 2.58Å; H450-E534 PolarHBondContact NE2-O 3.12Å; H450-S538 PolarHBondContact CE1-OG 3.26Å
451	L	94.5	Very high	91.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	113	-178.1	176.3	55.3	0	0	0	109.2	L430 L448 L453 F468 M471 V473 I474 E475	L430-L451 HydrophobicContact CB-CD1 4.1Å; L430-L451 HydrophobicContact CD2-CD1 4.01Å; L430-L451 HydrophobicContact CG-CD1 4.08Å; L430-L451 WeakPolarHBondContact O-CA 3.28Å; L448-L451 HydrophobicContact CD1-CB 4.32Å; L448-L451 HydrophobicContact CD1-CD1 4.15Å; L448-L451 HydrophobicContact CD1-CD2 4.32Å; L451-L453 HydrophobicContact CD1-CD1 4.08Å; L451-L453 HydrophobicContact CD1-CD2 4.17Å; L451-L453 HydrophobicContact CD1-CG 3.9Å; L451-L453 HydrophobicContact CD2-CD1 3.87Å; L451-L453 HydrophobicContact CG-CD1 3.77Å; L451-L453 HydrophobicContact CG-CG 3.95Å; L451-F468 HydrophobicContact CD2-CD2 4.48Å; L451-F468 HydrophobicContact CD2-CE1 4.14Å; L451-F468 HydrophobicContact CD2-CE2 3.77Å; L451-F468 HydrophobicContact CD2-CZ 3.57Å; L451-M471 HydrophobicContact CB-CE 3.48Å; L451-M471 VanDerWaalsContact CB-CE 3.48Å; L451-M471 HydrophobicContact CB-SD 4.26Å; L451-M471 VanDerWaalsContact N-CE 3.26Å; L451-V473 PolarHBondContact N-O 3.4Å; L451-V473 VanDerWaalsContact N-O 3.07Å; L451-I474 HydrophobicContact CB-CD1 4.4Å; L451-I474 HydrophobicContact CB-CG1 4.19Å; L451-I474 HydrophobicContact CD2-CD1 4.07Å; L451-I474 HydrophobicContact CG-CD1 4.49Å; L451-I474 HydrophobicContact CG-CG1 4.45Å; L451-I474 VanDerWaalsContact O-CA 3.31Å; L451-I474 WeakPolarHBondContact O-CA 3.36Å; L451-E475 PolarHBondContact O-N 3.14Å
452	K	95	Very high	90.6	Very high	30 Å²	30	35.8 Å²	35.8	13%	0.13	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113.8	-176.7	-60.9	-178.6	167.2	177.8	0	109.7	L430 D431 L432 T433 E475 E534	L430-K452 PolarHBondContact O-N 3.01Å; D431-K452 HydrophobicContact CB-CB 4.25Å; D431-K452 WeakPolarHBondContact OD1-CB 3.32Å; D431-K452 WeakPolarHBondContact OD2-CB 3.39Å; D431-K452 WeakPolarHBondContact OD2-CD 3.43Å; L432-K452 CarbonylContact C-O 2.98Å; L432-K452 PolarHBondContact N-O 3.05Å; T433-K452 PolarHBondContact N-O 3.35Å; T433-K452 WeakPolarHBondContact OG1-CB 3.3Å; K452-E475 HydrophobicContact CB-CB 4.39Å; K452-E475 HydrophobicContact CG-CB 4.46Å; K452-E475 HydrophobicContact CG-CG 4.15Å; K452-E534 VanDerWaalsContact CE-OE1 3.31Å; K452-E534 WeakPolarHBondContact CE-OE1 3.08Å; K452-E534 IonicContact NZ-OE1 3.21Å; K452-E534 PolarHBondContact NZ-OE1 3.45Å; K452-E534 IonicContact NZ-OE2 3.27Å; K452-E534 PolarHBondContact NZ-OE2 3.44Å
453	L	95.5	Very high	90.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.			trans	-127.4	3.4	-171.8	-67.8	168	0	0	0	113.5	L432 V440 L451 N456 L459 F463 E475 M476	L432-L453 HydrophobicContact CB-CD2 4.02Å; L432-L453 HydrophobicContact CD1-CD2 4.06Å; V440-L453 HydrophobicContact CG2-CD2 3.78Å; L451-L453 HydrophobicContact CD1-CD1 4.08Å; L451-L453 HydrophobicContact CD1-CD2 4.17Å; L451-L453 HydrophobicContact CD1-CG 3.9Å; L451-L453 HydrophobicContact CD2-CD1 3.87Å; L451-L453 HydrophobicContact CG-CD1 3.77Å; L451-L453 HydrophobicContact CG-CG 3.95Å; L453-N456 WeakPolarHBondContact O-CB 3.47Å; L453-N456 PolarHBondContact O-ND2 3.05Å; L453-L459 HydrophobicContact CB-CD2 4.08Å; L453-L459 HydrophobicContact CD1-CD2 4.06Å; L453-L459 HydrophobicContact CD2-CD2 4.1Å; L453-L459 HydrophobicContact CG-CD2 4.33Å; L453-F463 HydrophobicContact CD1-CE2 3.79Å; L453-F463 HydrophobicContact CD1-CZ 4.24Å; L453-E475 WeakPolarHBondContact CA-O 3.23Å; L453-E475 WeakPolarHBondContact CB-O 3.48Å; L453-E475 PolarHBondContact N-O 3.44Å; L453-M476 HydrophobicContact CD1-SD 4.32Å
454	R	91.9	Very high	90.3	Very high	86 Å²	86	34 Å²	34	33%	0.325	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	150.3	177.5	169.7	176.5	161.4	-178.5	-6.8	112.2	T433 E434 N456 E475	T433-R454 CarbonylContact C-O 3.17Å; T433-R454 VanDerWaalsContact CA-O 3.31Å; T433-R454 WeakPolarHBondContact CA-O 3.26Å; T433-R454 HydrophobicContact CG2-CB 4.19Å; T433-R454 HydrophobicContact CG2-CG 4.43Å; E434-R454 PolarHBondContact N-O 2.59Å; R454-N456 PolarHBondContact O-N 2.84Å; R454-N456 PolarHBondContact O-ND2 2.86Å; R454-E475 HydrophobicContact CB-CB 4.15Å; R454-E475 WeakPolarHBondContact CD-OE2 3.49Å; R454-E475 PolarHBondContact N-O 2.92Å; R454-E475 IonicContact NH1-OE2 2.78Å; R454-E475 PolarHBondContact NH1-OE2 3.12Å
455	G	89.1	Confident	90.2	Very high	15 Å²	15	34.9 Å²	34.9	16%	0.155	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-22.6	177.9	0	0	0	0	0	115.4	E434 K457	E434-G455 WeakPolarHBondContact OE1-CA 3.31Å; E434-G455 WeakPolarHBondContact OE2-CA 3.45Å; G455-K457 VanDerWaalsContact C-N 3.32Å; G455-K457 WeakPolarHBondContact O-CG 3.34Å; G455-K457 PolarHBondContact O-N 2.88Å
456	N	93.1	Very high	90	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.226	C	C	.	.			trans	-69.4	81.9	175.2	-68	-82.2	0	0	0	111.5	L432 N435 R436 L437 L453 R454 D458 L459 P477	L432-N456 PolarHBondContact O-ND2 3.3Å; N435-N456 WeakPolarHBondContact CA-OD1 3.32Å; N435-N456 WeakPolarHBondContact CB-OD1 3.2Å; N435-N456 PolarHBondContact O-OD1 2.97Å; R436-N456 PolarHBondContact N-OD1 3.06Å; L437-N456 HydrophobicContact CB-CB 4.36Å; L437-N456 VanDerWaalsContact CB-OD1 3.27Å; L437-N456 WeakPolarHBondContact CB-OD1 3.32Å; L437-N456 WeakPolarHBondContact CG-OD1 3.15Å; L437-N456 PolarHBondContact N-OD1 2.86Å; L453-N456 WeakPolarHBondContact O-CB 3.47Å; L453-N456 PolarHBondContact O-ND2 3.05Å; R454-N456 PolarHBondContact O-N 2.84Å; R454-N456 PolarHBondContact O-ND2 2.86Å; N456-D458 PolarHBondContact O-N 3.23Å; N456-L459 HydrophobicContact CB-CB 3.93Å; N456-L459 HydrophobicContact CB-CD2 4.42Å; N456-L459 WeakPolarHBondContact O-CB 3.46Å; N456-L459 PolarHBondContact O-N 3.16Å; N456-L459 VanDerWaalsContact O-N 3.12Å; N456-P477 WeakPolarHBondContact O-CB 3.39Å; N456-P477 WeakPolarHBondContact O-CG 3.48Å
457	K	87.2	Confident	90	Very high	117 Å²	117	44.2 Å²	44.2	51%	0.509	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19	-172.1	-64.1	-167.2	178.1	-171.6	0	114.8	G455 Y460 Y478 E710	G455-K457 VanDerWaalsContact C-N 3.32Å; G455-K457 WeakPolarHBondContact O-CG 3.34Å; G455-K457 PolarHBondContact O-N 2.88Å; K457-Y460 WeakPolarHBondContact O-CE1 3.44Å; K457-Y460 PolarHBondContact O-OH 2.94Å; K457-Y478 PolarHBondContact O-OH 3.26Å; K457-Y478 VanDerWaalsContact O-OH 3.05Å; K457-E710 IonicContact NZ-OE1 2.76Å; K457-E710 PolarHBondContact NZ-OE1 3.08Å
458	D	90.3	Very high	90	Very high	85 Å²	85	43.5 Å²	43.5	46%	0.455	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-2.7	177.4	-69.1	-66.2	0	0	0	113.7	L437 N456 Y460	L437-D458 CarbonylContact O-C 3.16Å; N456-D458 PolarHBondContact O-N 3.23Å; D458-Y460 HydrophobicContact CB-CE2 4.39Å; D458-Y460 WeakPolarHBondContact O-CD2 3.38Å; D458-Y460 WeakPolarHBondContact O-CE2 3.09Å; D458-Y460 PolarHBondContact O-N 2.9Å; D458-Y460 VanDerWaalsContact O-N 3.1Å; D458-Y460 PolarHBondContact OD1-OH 3.3Å
459	L	92.3	Very high	89.6	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	25%	0.252	C	S	.	.			trans	-85	79.2	177.3	-175.9	67	0	0	0	110.2	L437 V440 L453 N456 F463 P477 Q481	L437-L459 WeakPolarHBondContact O-CB 3.47Å; L437-L459 PolarHBondContact O-N 3.23Å; V440-L459 HydrophobicContact CG2-CD1 4.2Å; V440-L459 HydrophobicContact CG2-CD2 4.15Å; L453-L459 HydrophobicContact CB-CD2 4.08Å; L453-L459 HydrophobicContact CD1-CD2 4.06Å; L453-L459 HydrophobicContact CD2-CD2 4.1Å; L453-L459 HydrophobicContact CG-CD2 4.33Å; N456-L459 HydrophobicContact CB-CB 3.93Å; N456-L459 HydrophobicContact CB-CD2 4.42Å; N456-L459 WeakPolarHBondContact O-CB 3.46Å; N456-L459 PolarHBondContact O-N 3.16Å; N456-L459 VanDerWaalsContact O-N 3.12Å; L459-F463 HydrophobicContact CD1-CZ 4.4Å; L459-F463 HydrophobicContact CD2-CE2 4.44Å; L459-P477 HydrophobicContact CB-CG 4.24Å; L459-Q481 PolarHBondContact O-NE2 3.22Å
460	Y	89.9	Confident	89.5	Confident	65 Å²	65	53 Å²	53	26%	0.255	27%	0.274	S	S	.	.			trans	-83.3	-17.9	-173.9	-57	-65.8	0	0	0	115.8	K457 D458 Y478 A634 R635	K457-Y460 WeakPolarHBondContact O-CE1 3.44Å; K457-Y460 PolarHBondContact O-OH 2.94Å; D458-Y460 HydrophobicContact CB-CE2 4.39Å; D458-Y460 WeakPolarHBondContact O-CD2 3.38Å; D458-Y460 WeakPolarHBondContact O-CE2 3.09Å; D458-Y460 PolarHBondContact O-N 2.9Å; D458-Y460 VanDerWaalsContact O-N 3.1Å; D458-Y460 PolarHBondContact OD1-OH 3.3Å; Y460-Y478 AromaticContact CD1-CE2 4Å; Y460-Y478 HydrophobicContact CD1-CE2 4Å; Y460-Y478 HydrophobicContact CE1-CE2 4.19Å; Y460-A634 HydrophobicContact CD1-CB 4.15Å; Y460-R635 HydrophobicContact CD1-CG 4.42Å; Y460-R635 HydrophobicContact CD2-CG 4.46Å; Y460-R635 HydrophobicContact CG-CG 3.92Å
461	E	86.9	Confident	89.3	Confident	118 Å²	118	53.6 Å²	53.6	55%	0.551	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-89.1	147	-170.1	-54.7	-162.7	155.4	0	0	112	Q481 R635	E461-Q481 PolarHBondContact O-NE2 3.48Å; E461-R635 IonicContact OE1-CZ 3.76Å; E461-R635 IonicContact OE1-NH2 3.71Å; E461-R635 PolarHBondContact OE1-NH2 3.47Å
462	A	84	Confident	89	Confident	41 Å²	41	57.2 Å²	57.2	34%	0.339	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-93.8	145.9	175.8	0	0	0	0	0	110.8	Q481 V484	A462-Q481 HydrophobicContact CB-CB 4.33Å; A462-Q481 HydrophobicContact CB-CG 4.13Å; A462-V484 HydrophobicContact CB-CG2 4.22Å
463	F	88.1	Confident	88.7	Confident	20 Å²	20	56.6 Å²	56.6	9%	0.088	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-95.3	132.9	177.9	-57.9	-93	0	0	0	110.2	V440 V442 L453 L459 F468 M476 Y485	V440-F463 HydrophobicContact CB-CE1 4.25Å; V440-F463 HydrophobicContact CB-CZ 3.98Å; V440-F463 HydrophobicContact CG2-CZ 4.22Å; V442-F463 HydrophobicContact CG1-CD1 3.7Å; V442-F463 HydrophobicContact CG1-CE1 3.98Å; L453-F463 HydrophobicContact CD1-CE2 3.79Å; L453-F463 HydrophobicContact CD1-CZ 4.24Å; L459-F463 HydrophobicContact CD1-CZ 4.4Å; L459-F463 HydrophobicContact CD2-CE2 4.44Å; F463-F468 HydrophobicContact CB-CD2 4.18Å; F463-F468 HydrophobicContact CB-CE2 3.7Å; F463-F468 AromaticContact CD1-CE2 3.9Å; F463-F468 HydrophobicContact CD1-CE2 3.9Å; F463-F468 HydrophobicContact CD1-CZ 4.27Å; F463-F468 AromaticContact CG-CE2 3.79Å; F463-F468 HydrophobicContact CG-CE2 3.79Å; F463-M476 HydrophobicContact CD2-CE 3.88Å; F463-M476 HydrophobicContact CD2-SD 4.49Å; F463-Y485 WeakPolarHBondContact O-CE2 3.45Å; F463-Y485 PolarHBondContact O-OH 2.96Å
464	S	86.1	Confident	88.4	Confident	39 Å²	39	56.6 Å²	56.6	27%	0.273	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-62	138.4	169.9	-173.9	0	0	0	0	110.7	D466 H467	S464-D466 PolarHBondContact O-N 3.23Å; S464-D466 VanDerWaalsContact O-N 3.11Å; S464-D466 PolarHBondContact OG-N 3.13Å; S464-D466 PolarHBondContact OG-OD2 3.48Å; S464-H467 WeakPolarHBondContact O-CB 3.38Å; S464-H467 PolarHBondContact O-N 3.18Å
465	P	84.5	Confident	88.5	Confident	46 Å²	46	54.3 Å²	54.3	30%	0.299	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-51.9	-26.5	167	-27.4	35.2	0	0	0	113.9	H467 F468 V484 Y485	P465-H467 PolarHBondContact O-N 2.85Å; P465-F468 CarbonylContact O-C 3.59Å; P465-F468 VanDerWaalsContact O-C 3.28Å; P465-F468 PolarHBondContact O-N 2.86Å; P465-V484 HydrophobicContact CG-CG1 4.01Å; P465-Y485 HydrophobicContact CB-CE1 4.06Å; P465-Y485 HydrophobicContact CG-CD1 4.13Å; P465-Y485 HydrophobicContact CG-CE1 3.85Å
466	D	86.5	Confident	88.6	Confident	138 Å²	138	53.7 Å²	53.7	74%	0.738	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-59.4	-27.6	176	-55.6	-57.4	0	0	0	113.2	S464	S464-D466 PolarHBondContact O-N 3.23Å; S464-D466 VanDerWaalsContact O-N 3.11Å; S464-D466 PolarHBondContact OG-N 3.13Å; S464-D466 PolarHBondContact OG-OD2 3.48Å
467	H	87.9	Confident	88.4	Confident	90 Å²	90	54.7 Å²	54.7	42%	0.417	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-76.8	-24.5	177.3	-58.2	144.7	0	0	0	112.7	V442 S464 P465 P469	V442-H467 HydrophobicContact CB-CB 4.36Å; V442-H467 HydrophobicContact CG1-CB 4.15Å; S464-H467 WeakPolarHBondContact O-CB 3.38Å; S464-H467 PolarHBondContact O-N 3.18Å; P465-H467 PolarHBondContact O-N 2.85Å; H467-P469 VanDerWaalsContact C-CD 3.5Å
468	F	89.6	Confident	88.5	Confident	5 Å²	5	50 Å²	50	2%	0.022	26%	0.261	C	S	.	.			trans	-129.7	65.4	-174	-57.5	-57.7	0	0	0	111.1	V442 L445 L448 L451 F463 P465 Q470 M471	V442-F468 HydrophobicContact CG1-CE1 4.44Å; V442-F468 HydrophobicContact CG1-CE2 4.4Å; V442-F468 HydrophobicContact CG1-CZ 3.85Å; L445-F468 HydrophobicContact CB-CE1 3.87Å; L445-F468 HydrophobicContact CD1-CE1 4.47Å; L448-F468 HydrophobicContact CB-CD1 4.46Å; L448-F468 HydrophobicContact CD1-CE1 4.18Å; L451-F468 HydrophobicContact CD2-CD2 4.48Å; L451-F468 HydrophobicContact CD2-CE1 4.14Å; L451-F468 HydrophobicContact CD2-CE2 3.77Å; L451-F468 HydrophobicContact CD2-CZ 3.57Å; F463-F468 HydrophobicContact CB-CD2 4.18Å; F463-F468 HydrophobicContact CB-CE2 3.7Å; F463-F468 AromaticContact CD1-CE2 3.9Å; F463-F468 HydrophobicContact CD1-CE2 3.9Å; F463-F468 HydrophobicContact CD1-CZ 4.27Å; F463-F468 AromaticContact CG-CE2 3.79Å; F463-F468 HydrophobicContact CG-CE2 3.79Å; P465-F468 CarbonylContact O-C 3.59Å; P465-F468 VanDerWaalsContact O-C 3.28Å; P465-F468 PolarHBondContact O-N 2.86Å; F468-Q470 PolarHBondContact O-N 3.45Å; F468-M471 HydrophobicContact CB-CB 4.03Å; F468-M471 HydrophobicContact CB-CG 4.31Å; F468-M471 HydrophobicContact CB-SD 3.76Å; F468-M471 HydrophobicContact CD2-SD 4.41Å; F468-M471 HydrophobicContact CG-SD 4.05Å; F468-M471 WeakPolarHBondContact O-CB 3.49Å; F468-M471 PolarHBondContact O-N 3.45Å; F468-M471 VanDerWaalsContact O-N 3.11Å
469	P	86.3	Confident	88.3	Confident	97 Å²	97	46 Å²	46	63%	0.63	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-8.1	-173.8	28.7	-37.1	0	0	0	114.7	H467	H467-P469 VanDerWaalsContact C-CD 3.5Å
470	Q	88	Confident	88	Confident	116 Å²	116	45.9 Å²	45.9	54%	0.542	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	9.4	177.4	-55	-167.9	32.8	0	0	113.3	L448 T449 F468	L448-Q470 CarbonylContact O-C 3.49Å; L448-Q470 VanDerWaalsContact O-C 3.29Å; T449-Q470 WeakPolarHBondContact CA-O 3.48Å; T449-Q470 HydrophobicContact CG2-CB 4.29Å; F468-Q470 PolarHBondContact O-N 3.45Å
471	M	88.8	Confident	88	Confident	16 Å²	16	42.9 Å²	42.9	8%	0.079	23%	0.227	C	C	.	.			trans	-56.3	138.1	-176.4	-151.1	69.7	-124.4	0	0	112.4	L448 T449 H450 L451 F468 V473 I474 V544	L448-M471 PolarHBondContact O-N 2.82Å; T449-M471 VanDerWaalsContact C-CE 3.49Å; T449-M471 WeakPolarHBondContact O-CE 3.02Å; H450-M471 VanDerWaalsContact C-CE 3.5Å; L451-M471 HydrophobicContact CB-CE 3.48Å; L451-M471 VanDerWaalsContact CB-CE 3.48Å; L451-M471 HydrophobicContact CB-SD 4.26Å; L451-M471 VanDerWaalsContact N-CE 3.26Å; F468-M471 HydrophobicContact CB-CB 4.03Å; F468-M471 HydrophobicContact CB-CG 4.31Å; F468-M471 HydrophobicContact CB-SD 3.76Å; F468-M471 HydrophobicContact CD2-SD 4.41Å; F468-M471 HydrophobicContact CG-SD 4.05Å; F468-M471 WeakPolarHBondContact O-CB 3.49Å; F468-M471 PolarHBondContact O-N 3.45Å; F468-M471 VanDerWaalsContact O-N 3.11Å; M471-V473 WeakPolarHBondContact CE-O 3.11Å; M471-I474 HydrophobicContact CE-CB 3.96Å; M471-I474 HydrophobicContact CE-CD1 4.37Å; M471-I474 HydrophobicContact CE-CG1 4.36Å; M471-I474 HydrophobicContact CG-CB 4.18Å; M471-I474 HydrophobicContact CG-CD1 4.23Å; M471-I474 HydrophobicContact CG-CG2 4.43Å; M471-I474 HydrophobicContact SD-CB 4.44Å; M471-I474 HydrophobicContact SD-CD1 3.99Å; M471-V544 HydrophobicContact CB-CG1 4.26Å; M471-V544 HydrophobicContact CB-CG2 4.42Å; M471-V544 HydrophobicContact CG-CG1 3.98Å
472	R	87.4	Confident	88.1	Confident	76 Å²	76	37.3 Å²	37.3	29%	0.287	20%	0.201	S	C	.	.			trans	-128.7	-49.3	173.7	-64.5	-174.9	174.7	167.3	-8.3	112.7	T449 S538 V544 Q545	T449-R472 WeakPolarHBondContact O-CA 3.36Å; T449-R472 WeakPolarHBondContact O-CB 3.31Å; T449-R472 PolarHBondContact O-N 2.95Å; R472-S538 VanDerWaalsContact CD-O 3.31Å; R472-S538 WeakPolarHBondContact CD-O 3.38Å; R472-S538 VanDerWaalsContact CZ-O 3.26Å; R472-S538 PolarHBondContact NE-O 3.17Å; R472-S538 VanDerWaalsContact NH1-C 3.27Å; R472-S538 PolarHBondContact NH1-O 3.2Å; R472-S538 PolarHBondContact NH1-OG 3.17Å; R472-V544 CarbonylContact O-C 3.58Å; R472-V544 WeakPolarHBondContact O-CA 3.26Å; R472-Q545 PolarHBondContact O-N 2.71Å
473	V	89.3	Confident	88.2	Confident	17 Å²	17	36.1 Å²	36.1	10%	0.103	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.6	-178.7	-174.3	0	0	0	0	109.5	T449 H450 L451 M471 Q545	T449-V473 PolarHBondContact O-N 2.95Å; H450-V473 VanDerWaalsContact CA-O 3.28Å; H450-V473 WeakPolarHBondContact CA-O 3.14Å; L451-V473 PolarHBondContact N-O 3.4Å; L451-V473 VanDerWaalsContact N-O 3.07Å; M471-V473 WeakPolarHBondContact CE-O 3.11Å; V473-Q545 WeakPolarHBondContact CA-O 3.43Å
474	I	90.5	Very high	88	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	116.8	-177.7	-168	164.4	0	0	0	111.5	L451 M471 M476 V544 Q545 C546 T547	L451-I474 HydrophobicContact CB-CD1 4.4Å; L451-I474 HydrophobicContact CB-CG1 4.19Å; L451-I474 HydrophobicContact CD2-CD1 4.07Å; L451-I474 HydrophobicContact CG-CD1 4.49Å; L451-I474 HydrophobicContact CG-CG1 4.45Å; L451-I474 VanDerWaalsContact O-CA 3.31Å; L451-I474 WeakPolarHBondContact O-CA 3.36Å; M471-I474 HydrophobicContact CE-CB 3.96Å; M471-I474 HydrophobicContact CE-CD1 4.37Å; M471-I474 HydrophobicContact CE-CG1 4.36Å; M471-I474 HydrophobicContact CG-CB 4.18Å; M471-I474 HydrophobicContact CG-CD1 4.23Å; M471-I474 HydrophobicContact CG-CG2 4.43Å; M471-I474 HydrophobicContact SD-CB 4.44Å; M471-I474 HydrophobicContact SD-CD1 3.99Å; I474-M476 HydrophobicContact CD1-CE 3.41Å; I474-M476 VanDerWaalsContact CD1-CE 3.41Å; I474-M476 HydrophobicContact CG1-CE 3.79Å; I474-M476 HydrophobicContact CG1-SD 4.44Å; I474-V544 HydrophobicContact CG2-CG1 3.95Å; I474-Q545 PolarHBondContact N-O 3.45Å; I474-C546 HydrophobicContact CG2-CB 3.76Å; I474-C546 VanDerWaalsContact CG2-SG 3.58Å; I474-C546 VanDerWaalsContact O-CA 3.31Å; I474-C546 WeakPolarHBondContact O-CA 3.41Å; I474-T547 PolarHBondContact O-N 3.13Å
475	E	92	Very high	87.6	Confident	38 Å²	38	37.6 Å²	37.6	18%	0.178	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.6	175.3	-61.8	-122.1	129.5	0	0	109.5	L451 K452 L453 R454 T547	L451-E475 PolarHBondContact O-N 3.14Å; K452-E475 HydrophobicContact CB-CB 4.39Å; K452-E475 HydrophobicContact CG-CB 4.46Å; K452-E475 HydrophobicContact CG-CG 4.15Å; L453-E475 WeakPolarHBondContact CA-O 3.23Å; L453-E475 WeakPolarHBondContact CB-O 3.48Å; L453-E475 PolarHBondContact N-O 3.44Å; R454-E475 HydrophobicContact CB-CB 4.15Å; R454-E475 WeakPolarHBondContact CD-OE2 3.49Å; R454-E475 PolarHBondContact N-O 2.92Å; R454-E475 IonicContact NH1-OE2 2.78Å; R454-E475 PolarHBondContact NH1-OE2 3.12Å; E475-T547 CarbonylContact C-O 3.5Å; E475-T547 WeakPolarHBondContact CG-OG1 3.41Å; E475-T547 PolarHBondContact OE1-OG1 2.86Å
476	M	91.2	Very high	86.7	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.19	C	C	.	.			trans	-105.8	155.7	178.6	-67.2	-65.5	-170.4	0	0	111.6	L453 F463 I474 Y478 Q481 Y485 T547 P548	L453-M476 HydrophobicContact CD1-SD 4.32Å; F463-M476 HydrophobicContact CD2-CE 3.88Å; F463-M476 HydrophobicContact CD2-SD 4.49Å; I474-M476 HydrophobicContact CD1-CE 3.41Å; I474-M476 VanDerWaalsContact CD1-CE 3.41Å; I474-M476 HydrophobicContact CG1-CE 3.79Å; I474-M476 HydrophobicContact CG1-SD 4.44Å; M476-Y478 VanDerWaalsContact C-N 3.34Å; M476-Q481 HydrophobicContact CB-CB 3.99Å; M476-Q481 HydrophobicContact CE-CB 4.23Å; M476-Q481 HydrophobicContact CG-CB 3.69Å; M476-Q481 HydrophobicContact SD-CB 3.92Å; M476-Y485 HydrophobicContact CE-CE2 4.27Å; M476-T547 PolarHBondContact N-O 3.35Å; M476-P548 WeakPolarHBondContact O-CD 3.43Å
477	P	90.4	Very high	85.1	Confident	22 Å²	22	34.6 Å²	34.6	14%	0.143	19%	0.188	C	C	.	.	S	Bend	trans	-68.4	-32.1	169.9	26.1	-30.5	0	0	0	112.5	N456 L459	N456-P477 WeakPolarHBondContact O-CB 3.39Å; N456-P477 WeakPolarHBondContact O-CG 3.48Å; L459-P477 HydrophobicContact CB-CG 4.24Å
478	Y	88	Confident	83.1	Confident	18 Å²	18	32.9 Å²	32.9	7%	0.071	19%	0.186	C	C	.	.	S	Bend	trans	-125.8	141.7	179.6	-59.7	-84.9	0	0	0	113.3	K457 Y460 M476 Y480 Q481 A634 E637	K457-Y478 PolarHBondContact O-OH 3.26Å; K457-Y478 VanDerWaalsContact O-OH 3.05Å; Y460-Y478 AromaticContact CD1-CE2 4Å; Y460-Y478 HydrophobicContact CD1-CE2 4Å; Y460-Y478 HydrophobicContact CE1-CE2 4.19Å; M476-Y478 VanDerWaalsContact C-N 3.34Å; Y478-Y480 HydrophobicContact CD1-CE2 4.26Å; Y478-Y480 HydrophobicContact CG-CD2 4.46Å; Y478-Y480 PolarHBondContact O-N 2.65Å; Y478-Q481 PolarHBondContact O-N 3.27Å; Y478-Q481 PolarHBondContact O-OE1 3.34Å; Y478-A634 HydrophobicContact CD1-CB 4.34Å; Y478-A634 HydrophobicContact CD2-CB 3.65Å; Y478-A634 HydrophobicContact CE2-CB 4.18Å; Y478-A634 HydrophobicContact CG-CB 3.75Å; Y478-E637 HydrophobicContact CE1-CB 4.46Å; Y478-E637 HydrophobicContact CE1-CG 4.4Å
479	A	86.9	Confident	80.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.9	-26.7	-179.7	0	0	0	0	0	113.6	Q481 C482 P548 R554	A479-Q481 PolarHBondContact O-N 3.12Å; A479-C482 VanDerWaalsContact O-CB 3.3Å; A479-C482 WeakPolarHBondContact O-CB 3.31Å; A479-C482 PolarHBondContact O-N 3.12Å; A479-P548 VanDerWaalsContact CA-O 3.32Å; A479-P548 WeakPolarHBondContact CA-O 3.4Å; A479-P548 HydrophobicContact CB-CG 4.11Å; A479-P548 WeakPolarHBondContact CB-O 3.32Å; A479-R554 HydrophobicContact CB-CB 4.02Å
480	Y	86.7	Confident	78	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-32	179	-42.1	-65.8	0	0	0	112.7	Y478 C482 C483 R554 P555 F629 N630 G633 A634 E637 P715	Y478-Y480 HydrophobicContact CD1-CE2 4.26Å; Y478-Y480 HydrophobicContact CG-CD2 4.46Å; Y478-Y480 PolarHBondContact O-N 2.65Å; Y480-C482 PolarHBondContact O-N 3.24Å; Y480-C483 VanDerWaalsContact O-CB 3.24Å; Y480-C483 WeakPolarHBondContact O-CB 3.48Å; Y480-C483 PolarHBondContact O-N 3.02Å; Y480-C483 VanDerWaalsContact O-N 3.14Å; Y480-C483 PolarHBondContact O-SG 2.94Å; Y480-C483 VanDerWaalsContact O-SG 3.42Å; Y480-R554 HydrophobicContact CE1-CB 3.94Å; Y480-R554 HydrophobicContact CE1-CG 4.42Å; Y480-P555 WeakPolarHBondContact CD1-O 3.27Å; Y480-F629 HydrophobicContact CD1-CD1 4.5Å; Y480-F629 HydrophobicContact CD1-CE1 4.12Å; Y480-F629 HydrophobicContact CE1-CD1 4.45Å; Y480-F629 AromaticContact CE1-CE1 3.7Å; Y480-F629 HydrophobicContact CE1-CE1 3.7Å; Y480-F629 HydrophobicContact CE1-CZ 4.49Å; Y480-N630 WeakPolarHBondContact CB-O 3.43Å; Y480-G633 VanDerWaalsContact CD2-C 3.41Å; Y480-G633 VanDerWaalsContact CE2-C 3.44Å; Y480-A634 HydrophobicContact CD2-CB 4.13Å; Y480-E637 HydrophobicContact CE2-CB 4.36Å; Y480-E637 WeakPolarHBondContact CE2-OE2 3.37Å; Y480-E637 VanDerWaalsContact CZ-OE2 3.25Å; Y480-E637 PolarHBondContact OH-OE2 3.03Å; Y480-P715 WeakPolarHBondContact OH-CB 3.24Å; Y480-P715 VanDerWaalsContact OH-CD 3.27Å; Y480-P715 WeakPolarHBondContact OH-CD 3.49Å; Y480-P715 VanDerWaalsContact OH-CG 3.26Å; Y480-P715 WeakPolarHBondContact OH-CG 3.26Å
481	Q	89.2	Confident	75.7	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.009	23%	0.232	C	C	.	.	H	α-helix	trans	-68.6	-24	177.3	-66	158.5	-60.4	0	0	111.5	L459 E461 A462 M476 Y478 A479 C483	L459-Q481 PolarHBondContact O-NE2 3.22Å; E461-Q481 PolarHBondContact O-NE2 3.48Å; A462-Q481 HydrophobicContact CB-CB 4.33Å; A462-Q481 HydrophobicContact CB-CG 4.13Å; M476-Q481 HydrophobicContact CB-CB 3.99Å; M476-Q481 HydrophobicContact CE-CB 4.23Å; M476-Q481 HydrophobicContact CG-CB 3.69Å; M476-Q481 HydrophobicContact SD-CB 3.92Å; Y478-Q481 PolarHBondContact O-N 3.27Å; Y478-Q481 PolarHBondContact O-OE1 3.34Å; A479-Q481 PolarHBondContact O-N 3.12Å; Q481-C483 VanDerWaalsContact C-N 3.35Å
482	C	89.4	Confident	72.7	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-75.2	-17.8	172.9	-68.9	0	0	0	0	114.3	A479 Y480 V484 Y485 A486 C546 P548 P550	A479-C482 VanDerWaalsContact O-CB 3.3Å; A479-C482 WeakPolarHBondContact O-CB 3.31Å; A479-C482 PolarHBondContact O-N 3.12Å; Y480-C482 PolarHBondContact O-N 3.24Å; C482-V484 PolarHBondContact O-N 3.47Å; C482-V484 VanDerWaalsContact O-N 3.15Å; C482-Y485 PolarHBondContact O-N 3.37Å; C482-A486 PolarHBondContact O-N 2.85Å; C482-C546 WeakPolarHBondContact CA-SG 3.31Å; C482-C546 HydrophobicContact CB-CB 3.63Å; C482-C546 WeakPolarHBondContact CB-SG 3.38Å; C482-C546 WeakPolarHBondContact SG-CB 3.16Å; C482-C546 CovalentContact SG-SG 2.03Å; C482-C546 PolarHBondContact SG-SG 3.33Å; C482-P548 PolarHBondContact SG-O 3.41Å; C482-P550 HydrophobicContact CB-CG 4.16Å
483	C	86.4	Confident	70	Confident	16 Å²	16	51.6 Å²	51.6	11%	0.108	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.6	-178	-64.8	0	0	0	0	113.6	Y480 Q481 C556 N630	Y480-C483 VanDerWaalsContact O-CB 3.24Å; Y480-C483 WeakPolarHBondContact O-CB 3.48Å; Y480-C483 PolarHBondContact O-N 3.02Å; Y480-C483 VanDerWaalsContact O-N 3.14Å; Y480-C483 PolarHBondContact O-SG 2.94Å; Y480-C483 VanDerWaalsContact O-SG 3.42Å; Q481-C483 VanDerWaalsContact C-N 3.35Å; C483-C556 HydrophobicContact CB-CB 3.67Å; C483-C556 WeakPolarHBondContact CB-SG 3.31Å; C483-C556 WeakPolarHBondContact SG-CA 3.31Å; C483-C556 WeakPolarHBondContact SG-CB 3.39Å; C483-C556 CovalentContact SG-SG 2.03Å; C483-C556 PolarHBondContact SG-SG 3.01Å; C483-N630 HydrophobicContact CB-CB 4.02Å
484	V	82.8	Confident	67.2	Low	62 Å²	62	56 Å²	56	38%	0.376	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.5	177.8	-157.4	0	0	0	0	112.2	A462 P465 C482	A462-V484 HydrophobicContact CB-CG2 4.22Å; P465-V484 HydrophobicContact CG-CG1 4.01Å; C482-V484 PolarHBondContact O-N 3.47Å; C482-V484 VanDerWaalsContact O-N 3.15Å
485	Y	78.3	Confident	64.4	Low	28 Å²	28	61.8 Å²	61.8	11%	0.11	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-29.2	-179.9	-63.6	-88.7	0	0	0	112.4	F463 P465 M476 C482 V544	F463-Y485 WeakPolarHBondContact O-CE2 3.45Å; F463-Y485 PolarHBondContact O-OH 2.96Å; P465-Y485 HydrophobicContact CB-CE1 4.06Å; P465-Y485 HydrophobicContact CG-CD1 4.13Å; P465-Y485 HydrophobicContact CG-CE1 3.85Å; M476-Y485 HydrophobicContact CE-CE2 4.27Å; C482-Y485 PolarHBondContact O-N 3.37Å; Y485-V544 HydrophobicContact CD1-CB 4.34Å; Y485-V544 HydrophobicContact CD1-CG1 3.97Å; Y485-V544 HydrophobicContact CD1-CG2 4.35Å; Y485-V544 HydrophobicContact CG-CG1 4.47Å
486	A	65.6	Low	61.4	Low	19 Å²	19	67.3 Å²	67.3	16%	0.157	37%	0.373	C	S	.	.	S	Bend	trans	-92.5	115	-179.4	0	0	0	0	0	112.2	C482 C488	C482-A486 PolarHBondContact O-N 2.85Å; A486-C488 PolarHBondContact O-N 3.01Å; A486-C488 PolarHBondContact O-SG 3.2Å
487	S	52.3	Low	58.6	Low	102 Å²	102	77 Å²	77	71%	0.713	41%	0.409	S	S	*	.			trans	-66.4	96.9	170.8	-69.9	0	0	0	0	111.1	N489	S487-N489 PolarHBondContact O-N 2.83Å
488	C	45.4	Very low	55.7	Low	55 Å²	55	83.5 Å²	83.5	37%	0.372	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-5.6	-165.2	-54.5	0	0	0	0	117.4	A486	A486-C488 PolarHBondContact O-N 3.01Å; A486-C488 PolarHBondContact O-SG 3.2Å
489	N	34.1	Very low	53	Low	168 Å²	168	88.1 Å²	88.1	90%	0.898	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	2.8	-174.4	-82.5	-47.2	0	0	0	115.9	S487	S487-N489 PolarHBondContact O-N 2.83Å
490	T	35.9	Very low	50.1	Low	123 Å²	123	96.9 Å²	96.9	76%	0.755	51%	0.514	S	S	*	.			trans	-119.3	20	-174.1	-31.7	0	0	0	0	114.7	K492	T490-K492 PolarHBondContact O-N 3.31Å
491	Y	39.4	Very low	47.4	Very low	130 Å²	130	104.8 Å²	104.8	51%	0.51	56%	0.555	S	S	.	*			trans	-79.1	89.3	175.4	-76.9	-79.1	0	0	0	112.6
492	K	26.3	Very low	44.5	Very low	174 Å²	174	109.6 Å²	109.6	76%	0.757	59%	0.59	S	S	*	*			trans	-86.9	142.5	147.7	-82	-174.5	174	-176.9	0	108.7	T490	T490-K492 PolarHBondContact O-N 3.31Å
493	P	29.8	Very low	41.7	Very low	108 Å²	108	117.3 Å²	117.3	70%	0.701	63%	0.631	S	S	*	*			trans	-66.7	139.3	177	28.1	-34.5	0	0	0	111.5	T495	P493-T495 VanDerWaalsContact C-N 3.33Å; P493-T495 PolarHBondContact O-N 3.22Å
494	T	31.4	Very low	38.8	Very low	108 Å²	108	123 Å²	123	66%	0.663	67%	0.665	S	S	*	*	S	Bend	trans	-79.3	73.6	-172.8	-35.6	0	0	0	0	112.3	W497	T494-W497 HydrophobicContact CG2-CE3 3.57Å; T494-W497 HydrophobicContact CG2-CZ3 3.79Å
495	T	31.6	Very low	36.1	Very low	123 Å²	123	128 Å²	128	76%	0.755	69%	0.69	S	S	*	*			trans	-129.1	22.2	172.5	53.8	0	0	0	0	112.7	P493	P493-T495 VanDerWaalsContact C-N 3.33Å; P493-T495 PolarHBondContact O-N 3.22Å
496	Q	28.6	Very low	33.9	Very low	153 Å²	153	135.5 Å²	135.5	72%	0.715	73%	0.726	S	S	*	*	S	Bend	trans	-143.5	42.2	-174.5	-154.4	179	3.1	0	0	113.7
497	W	32.3	Very low	32.1	Very low	204 Å²	204	141.9 Å²	141.9	77%	0.773	76%	0.757	S	S	*	*	S	Bend	trans	-118.3	-17.7	165.2	-81.2	-45.8	0	0	0	114.5	T494 T499	T494-W497 HydrophobicContact CG2-CE3 3.57Å; T494-W497 HydrophobicContact CG2-CZ3 3.79Å; W497-T499 PolarHBondContact O-N 2.85Å
498	D	29.8	Very low	30.9	Very low	160 Å²	160	145.3 Å²	145.3	86%	0.856	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	28.8	174.2	-58.5	-53.7	0	0	0	114.5
499	T	30.5	Very low	30	Very low	115 Å²	115	151.8 Å²	151.8	71%	0.706	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149	1.3	-176.7	-26.4	0	0	0	0	116	W497	W497-T499 PolarHBondContact O-N 2.85Å
500	E	26.7	Very low	29.8	Very low	183 Å²	183	153.2 Å²	153.2	86%	0.855	79%	0.789	S	S	*	*	S	Bend	trans	-124.5	16.4	175.8	-69.6	-163.1	146.3	0	0	114.9
501	L	30	Very low	29.2	Very low	166 Å²	166	158.8 Å²	158.8	87%	0.869	80%	0.797	S	S	*	*	S	Bend	trans	-111.5	18.6	167.3	-131.3	82.3	0	0	0	114.7
502	S	27.7	Very low	28.6	Very low	104 Å²	104	158.6 Å²	158.6	73%	0.727	81%	0.809	S	S	*	*	S	Bend	trans	-106.1	61.6	172.7	-166.4	0	0	0	0	111.1
503	N	30.2	Very low	28.5	Very low	163 Å²	163	156.8 Å²	156.8	87%	0.872	81%	0.812	S	S	*	*	S	Bend	trans	-171	44.3	166.3	-103.4	-29.1	0	0	0	116.1
504	T	26.2	Very low	28.2	Very low	135 Å²	135	156.2 Å²	156.2	83%	0.828	82%	0.816	S	S	*	*			trans	-154.4	84.9	155.3	37.2	0	0	0	0	109.9
505	N	26.8	Very low	27.8	Very low	168 Å²	168	158.2 Å²	158.2	90%	0.898	82%	0.82	S	S	*	*			trans	-119.7	79.6	171.3	-137.6	14.1	0	0	0	108.7
506	E	31.2	Very low	27.4	Very low	184 Å²	184	162.5 Å²	162.5	86%	0.86	82%	0.824	S	S	*	*			trans	-168.1	157.2	157.3	-110.6	165.7	-166	0	0	110
507	D	28.9	Very low	27.4	Very low	153 Å²	153	159.9 Å²	159.9	82%	0.818	82%	0.82	S	S	*	*			trans	56	75.8	172	-71.6	-17.3	0	0	0	120.6
508	L	27.3	Very low	27.1	Very low	174 Å²	174	156.7 Å²	156.7	91%	0.911	82%	0.823	S	S	*	*			trans	-148.8	38.9	131.4	-148.5	67.1	0	0	0	116.2	K510	L508-K510 PolarHBondContact O-N 2.87Å
509	H	26.4	Very low	27.1	Very low	192 Å²	192	157 Å²	157	89%	0.889	82%	0.819	S	S	*	*			trans	-81	89.4	168.4	-112.3	62.1	0	0	0	111.2
510	K	28.5	Very low	27	Very low	197 Å²	197	154.8 Å²	154.8	86%	0.857	81%	0.812	S	S	*	*			trans	161.9	118.8	147.7	-90.1	150.7	-168.9	166.8	0	114.2	L508	L508-K510 PolarHBondContact O-N 2.87Å
511	R	24.8	Very low	27.3	Very low	241 Å²	241	153.1 Å²	153.1	91%	0.909	81%	0.809	S	S	*	*			trans	146.2	132.6	145.8	-87.5	176.9	167.4	167.9	-2.6	109.9
512	T	25.2	Very low	27.4	Very low	125 Å²	125	148 Å²	148	77%	0.767	79%	0.785	S	S	*	*			cis	-152.8	143.6	-14.6	-62.9	0	0	0	0	107.1
513	V	24	Very low	28	Very low	137 Å²	137	148.5 Å²	148.5	83%	0.83	78%	0.779	S	S	*	*			trans	-74.5	128.5	176.6	176.4	0	0	0	0	111.5
514	A	25.2	Very low	28.5	Very low	95 Å²	95	147.6 Å²	147.6	79%	0.785	77%	0.765	S	S	*	*			trans	-152.6	79.8	159	0	0	0	0	0	107.5
515	M	22.7	Very low	29.2	Very low	150 Å²	150	143 Å²	143	74%	0.739	74%	0.735	S	S	*	*				75	79.5	82.9	-171.8	179.2	178.8	0	0	113.2
516	Y	23.1	Very low	30	Very low	213 Å²	213	139 Å²	139	84%	0.835	72%	0.718	S	S	*	*				-162.7	167.7	129.3	-94.8	-59.5	0	0	0	107.3
517	P	27.6	Very low	30.9	Very low	99 Å²	99	133.9 Å²	133.9	64%	0.643	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-97.2	139.1	-137.8	36	-29.9	0	0	0	113.7	H519	P517-H519 PolarHBondContact O-N 3.5Å
518	V	25.8	Very low	31.8	Very low	136 Å²	136	128.8 Å²	128.8	82%	0.824	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-62.7	127	162	177.1	0	0	0	0	108.3
519	H	29.6	Very low	32.8	Very low	168 Å²	168	125.2 Å²	125.2	78%	0.778	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-81.7	130.9	157.8	-82.3	32.3	0	0	0	107.8	P517	P517-H519 PolarHBondContact O-N 3.5Å
520	A	28.9	Very low	34.1	Very low	67 Å²	67	121.6 Å²	121.6	55%	0.554	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-90.3	151.4	-176.8	0	0	0	0	0	111.6
521	D	33.9	Very low	35.2	Very low	149 Å²	149	112.7 Å²	112.7	80%	0.797	59%	0.592	S	S	*	*			trans	48	88.5	155.1	-53.8	-21.4	0	0	0	116.6
522	T	32.2	Very low	36.6	Very low	58 Å²	58	105.3 Å²	105.3	36%	0.356	57%	0.568	S	S	.	*			trans	-125.4	141.6	166.5	-33.3	0	0	0	0	109.1	Y524	T522-Y524 HydrophobicContact CG2-CD1 4.35Å; T522-Y524 HydrophobicContact CG2-CE1 4.13Å; T522-Y524 HydrophobicContact CG2-CE2 4.36Å; T522-Y524 PolarHBondContact O-N 2.86Å; T522-Y524 WeakPolarHBondContact OG1-CE2 3.13Å
523	N	38.4	Very low	37.8	Very low	114 Å²	114	104.8 Å²	104.8	61%	0.61	56%	0.56	S	S	*	*			trans	-71.5	73.1	164.3	-87	-38.5	0	0	0	109.2	E293	E293-N523 PolarHBondContact OE1-ND2 3.13Å; E293-N523 PolarHBondContact OE2-ND2 3.18Å; E293-N523 VanDerWaalsContact OE2-ND2 3.08Å
524	Y	42.6	Very low	39.2	Very low	145 Å²	145	100 Å²	100	57%	0.569	53%	0.529	S	S	*	.			trans	-73.3	153.6	170.7	-76.1	-53.3	0	0	0	110.9	T522 P526	T522-Y524 HydrophobicContact CG2-CD1 4.35Å; T522-Y524 HydrophobicContact CG2-CE1 4.13Å; T522-Y524 HydrophobicContact CG2-CE2 4.36Å; T522-Y524 PolarHBondContact O-N 2.86Å; T522-Y524 WeakPolarHBondContact OG1-CE2 3.13Å; Y524-P526 WeakPolarHBondContact O-CD 3.3Å
525	D	40.3	Very low	40.7	Very low	39 Å²	39	97.7 Å²	97.7	21%	0.209	50%	0.503	C	S	.	.			trans	-73.7	115.4	169.2	-135.7	40.5	0	0	0	107.4	R340 Y364 D527 L528	R340-D525 IonicContact CZ-OD1 2.65Å; R340-D525 IonicContact NE-OD1 3.24Å; R340-D525 IonicContact NH2-OD1 3.86Å; R340-D525 PolarHBondContact NH2-OD1 3.35Å; R340-D525 IonicContact NH2-OD2 3.83Å; R340-D525 PolarHBondContact NH2-OD2 2.9Å; Y364-D525 VanDerWaalsContact CE2-OD2 3.22Å; Y364-D525 WeakPolarHBondContact CE2-OD2 3.41Å; D525-D527 PolarHBondContact O-N 2.85Å; D525-D527 VanDerWaalsContact O-N 3.1Å; D525-L528 PolarHBondContact O-N 2.92Å; D525-L528 VanDerWaalsContact O-N 3.13Å
526	P	44.3	Very low	42.2	Very low	83 Å²	83	96.4 Å²	96.4	54%	0.539	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-25.4	-165.7	25.2	-35.1	0	0	0	112.5	Y524 L528 E529 E530	Y524-P526 WeakPolarHBondContact O-CD 3.3Å; P526-L528 PolarHBondContact O-N 2.97Å; P526-E529 PolarHBondContact O-N 3.38Å; P526-E530 WeakPolarHBondContact O-CB 3.36Å; P526-E530 PolarHBondContact O-N 3.38Å
527	D	48.2	Very low	43.6	Very low	77 Å²	77	93.1 Å²	93.1	41%	0.412	49%	0.487	S	S	.	.	H	α-helix	trans	-56.9	-35	178.5	-56.7	-20.1	0	0	0	111.8	D525 F531	D525-D527 PolarHBondContact O-N 2.85Å; D525-D527 VanDerWaalsContact O-N 3.1Å; D527-F531 VanDerWaalsContact O-CB 3.28Å; D527-F531 WeakPolarHBondContact O-CB 3.48Å; D527-F531 PolarHBondContact O-N 3.11Å
528	L	49.6	Very low	44.6	Very low	46 Å²	46	88.6 Å²	88.6	24%	0.241	46%	0.458	C	S	.	.	H	α-helix	trans	-81.5	-33.5	-179.8	-172.6	63.1	0	0	0	113.1	D525 P526 F531 Q532	D525-L528 PolarHBondContact O-N 2.92Å; D525-L528 VanDerWaalsContact O-N 3.13Å; P526-L528 PolarHBondContact O-N 2.97Å; L528-F531 HydrophobicContact CD1-CB 4.46Å; L528-F531 HydrophobicContact CD1-CD1 4.45Å; L528-F531 WeakPolarHBondContact O-CB 3.44Å; L528-F531 PolarHBondContact O-N 2.98Å; L528-Q532 PolarHBondContact O-N 2.78Å
529	E	48	Very low	45.8	Very low	99 Å²	99	87.8 Å²	87.8	46%	0.463	44%	0.444	S	S	.	.	H	α-helix	trans	-71.1	-38.3	170.3	-77.1	-163.5	152	0	0	111.2	P526 F531 Q532 L533	P526-E529 PolarHBondContact O-N 3.38Å; E529-F531 VanDerWaalsContact C-N 3.27Å; E529-F531 PolarHBondContact O-N 3.09Å; E529-Q532 PolarHBondContact O-N 3.29Å; E529-L533 WeakPolarHBondContact O-CB 3.47Å; E529-L533 VanDerWaalsContact O-CG 3.26Å; E529-L533 WeakPolarHBondContact O-CG 3.41Å; E529-L533 PolarHBondContact O-N 2.79Å
530	E	53.9	Low	46.6	Very low	115 Å²	115	87.6 Å²	87.6	54%	0.537	45%	0.447	S	S	.	.	H	α-helix	trans	-57.8	-42.8	169.1	-172	172.3	156.8	0	0	110.3	P526 Q532 L533 E534	P526-E530 WeakPolarHBondContact O-CB 3.36Å; P526-E530 PolarHBondContact O-N 3.38Å; E530-Q532 VanDerWaalsContact C-N 3.29Å; E530-Q532 PolarHBondContact O-N 2.96Å; E530-L533 PolarHBondContact O-N 3.3Å; E530-E534 WeakPolarHBondContact O-CB 3.48Å; E530-E534 WeakPolarHBondContact O-CG 3.24Å; E530-E534 PolarHBondContact O-N 2.79Å
531	F	50.2	Low	47.8	Very low	10 Å²	10	87.8 Å²	87.8	4%	0.044	44%	0.437	C	S	.	.	H	α-helix	trans	-63.6	-27.3	174.3	-158.1	-104.7	0	0	0	113.8	A405 K429 D431 D527 L528 E529 I535	A405-F531 HydrophobicContact CB-CD1 4.42Å; A405-F531 HydrophobicContact CB-CE1 3.8Å; K429-F531 HydrophobicContact CB-CE1 3.53Å; K429-F531 HydrophobicContact CB-CE2 4.24Å; K429-F531 HydrophobicContact CB-CZ 3.36Å; K429-F531 HydrophobicContact CD-CD1 3.68Å; K429-F531 HydrophobicContact CD-CD2 4.35Å; K429-F531 HydrophobicContact CD-CE1 3.51Å; K429-F531 HydrophobicContact CD-CE2 4.2Å; K429-F531 HydrophobicContact CD-CG 4.13Å; K429-F531 HydrophobicContact CD-CZ 3.81Å; K429-F531 WeakPolarHBondContact CD-O 3.2Å; K429-F531 WeakPolarHBondContact CE-O 3.18Å; K429-F531 HydrophobicContact CG-CE1 4.07Å; K429-F531 HydrophobicContact CG-CZ 4.22Å; K429-F531 PolarHBondContact NZ-O 3.25Å; D431-F531 HydrophobicContact CB-CE2 4.14Å; D527-F531 VanDerWaalsContact O-CB 3.28Å; D527-F531 WeakPolarHBondContact O-CB 3.48Å; D527-F531 PolarHBondContact O-N 3.11Å; L528-F531 HydrophobicContact CD1-CB 4.46Å; L528-F531 HydrophobicContact CD1-CD1 4.45Å; L528-F531 WeakPolarHBondContact O-CB 3.44Å; L528-F531 PolarHBondContact O-N 2.98Å; E529-F531 VanDerWaalsContact C-N 3.27Å; E529-F531 PolarHBondContact O-N 3.09Å; F531-I535 WeakPolarHBondContact O-CG1 3.46Å
532	Q	54.1	Low	48.9	Very low	86 Å²	86	87.9 Å²	87.9	40%	0.402	44%	0.443	S	S	.	.	H	α-helix	trans	-85.3	-39.5	172.4	-71.2	-172.4	1.1	0	0	112.6	E381 L528 E529 E530 E534 I535	E381-Q532 PolarHBondContact OE2-NE2 3.21Å; L528-Q532 PolarHBondContact O-N 2.78Å; E529-Q532 PolarHBondContact O-N 3.29Å; E530-Q532 VanDerWaalsContact C-N 3.29Å; E530-Q532 PolarHBondContact O-N 2.96Å; Q532-E534 PolarHBondContact O-N 3.42Å; Q532-I535 WeakPolarHBondContact O-CB 3.18Å; Q532-I535 WeakPolarHBondContact O-CG1 3.49Å; Q532-I535 PolarHBondContact O-N 3.38Å
533	L	51.5	Low	50.7	Low	115 Å²	115	89.4 Å²	89.4	60%	0.602	46%	0.456	S	S	*	.	H	α-helix	trans	-63.7	-38.9	178.6	-72	166.2	0	0	0	112.5	E529 E530 I535 E536 E537	E529-L533 WeakPolarHBondContact O-CB 3.47Å; E529-L533 VanDerWaalsContact O-CG 3.26Å; E529-L533 WeakPolarHBondContact O-CG 3.41Å; E529-L533 PolarHBondContact O-N 2.79Å; E530-L533 PolarHBondContact O-N 3.3Å; L533-I535 PolarHBondContact O-N 2.97Å; L533-E536 WeakPolarHBondContact O-CB 3.46Å; L533-E536 PolarHBondContact O-N 3.29Å; L533-E537 PolarHBondContact O-N 3.36Å
534	E	54	Low	52.8	Low	37 Å²	37	86.3 Å²	86.3	17%	0.173	44%	0.441	C	S	.	.	H	α-helix	trans	-52.1	-34.9	168.9	-85.3	-177.2	175	0	0	112.4	K429 H450 K452 E530 Q532 E536 S538	K429-E534 IonicContact NZ-OE2 2.57Å; K429-E534 PolarHBondContact NZ-OE2 2.03Å; H450-E534 IonicContact CD2-OE2 2.58Å; H450-E534 PolarHBondContact NE2-O 3.12Å; K452-E534 VanDerWaalsContact CE-OE1 3.31Å; K452-E534 WeakPolarHBondContact CE-OE1 3.08Å; K452-E534 IonicContact NZ-OE1 3.21Å; K452-E534 PolarHBondContact NZ-OE1 3.45Å; K452-E534 IonicContact NZ-OE2 3.27Å; K452-E534 PolarHBondContact NZ-OE2 3.44Å; E530-E534 WeakPolarHBondContact O-CB 3.48Å; E530-E534 WeakPolarHBondContact O-CG 3.24Å; E530-E534 PolarHBondContact O-N 2.79Å; Q532-E534 PolarHBondContact O-N 3.42Å; E534-E536 VanDerWaalsContact C-N 3.34Å; E534-E536 PolarHBondContact O-N 3.08Å; E534-S538 WeakPolarHBondContact O-CB 3.25Å; E534-S538 PolarHBondContact O-N 2.88Å; E534-S538 PolarHBondContact O-OG 3.39Å
535	I	56.3	Low	54.9	Low	46 Å²	46	83.2 Å²	83.2	24%	0.236	43%	0.432	C	S	.	.	H	α-helix	trans	-65.6	-39.9	178.5	-51.8	170.5	0	0	0	110.4	K429 F531 Q532 L533 S538 K539	K429-I535 HydrophobicContact CD-CD1 4.02Å; K429-I535 HydrophobicContact CD-CG1 3.67Å; K429-I535 HydrophobicContact CG-CG1 4.4Å; F531-I535 WeakPolarHBondContact O-CG1 3.46Å; Q532-I535 WeakPolarHBondContact O-CB 3.18Å; Q532-I535 WeakPolarHBondContact O-CG1 3.49Å; Q532-I535 PolarHBondContact O-N 3.38Å; L533-I535 PolarHBondContact O-N 2.97Å; I535-S538 PolarHBondContact O-OG 2.79Å; I535-S538 VanDerWaalsContact O-OG 3.1Å; I535-K539 WeakPolarHBondContact O-CE 3.49Å; I535-K539 WeakPolarHBondContact O-CG 3.32Å
536	E	53.4	Low	57.2	Low	122 Å²	122	81.8 Å²	81.8	57%	0.57	43%	0.425	S	S	*	.	H	α-helix	trans	-68	-54.1	177.6	-66.3	-84.5	89	0	0	110.6	L533 E534 S538 K539	L533-E536 WeakPolarHBondContact O-CB 3.46Å; L533-E536 PolarHBondContact O-N 3.29Å; E534-E536 VanDerWaalsContact C-N 3.34Å; E534-E536 PolarHBondContact O-N 3.08Å; E536-S538 PolarHBondContact O-N 3.25Å; E536-K539 VanDerWaalsContact O-CB 3.31Å; E536-K539 WeakPolarHBondContact O-CB 3.39Å; E536-K539 WeakPolarHBondContact O-CG 3.49Å; E536-K539 PolarHBondContact O-N 3.48Å; E536-K539 VanDerWaalsContact O-N 3.17Å; E536-K539 IonicContact OE1-NZ 2.84Å; E536-K539 PolarHBondContact OE1-NZ 2.84Å
537	E	53.4	Low	59.2	Low	144 Å²	144	79.2 Å²	79.2	67%	0.673	41%	0.407	S	S	*	.	H	α-helix	trans	-64	-39.7	-174.9	-172.1	168.9	-149.6	0	0	112.4	L533 K539 L540	L533-E537 PolarHBondContact O-N 3.36Å; E537-K539 PolarHBondContact O-N 3.21Å; E537-L540 PolarHBondContact O-N 2.96Å; E537-L540 VanDerWaalsContact O-N 3.07Å
538	S	48.1	Very low	61	Low	5 Å²	5	77.2 Å²	77.2	4%	0.035	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-59.2	-17.9	177.8	75.3	0	0	0	0	113.9	H450 R472 E534 I535 E536 L540 Q541	H450-S538 PolarHBondContact CE1-OG 3.26Å; R472-S538 VanDerWaalsContact CD-O 3.31Å; R472-S538 WeakPolarHBondContact CD-O 3.38Å; R472-S538 VanDerWaalsContact CZ-O 3.26Å; R472-S538 PolarHBondContact NE-O 3.17Å; R472-S538 VanDerWaalsContact NH1-C 3.27Å; R472-S538 PolarHBondContact NH1-O 3.2Å; R472-S538 PolarHBondContact NH1-OG 3.17Å; E534-S538 WeakPolarHBondContact O-CB 3.25Å; E534-S538 PolarHBondContact O-N 2.88Å; E534-S538 PolarHBondContact O-OG 3.39Å; I535-S538 PolarHBondContact O-OG 2.79Å; I535-S538 VanDerWaalsContact O-OG 3.1Å; E536-S538 PolarHBondContact O-N 3.25Å; S538-L540 PolarHBondContact O-N 2.97Å; S538-Q541 PolarHBondContact O-N 2.92Å
539	K	51.8	Low	62.5	Low	119 Å²	119	80.5 Å²	80.5	52%	0.517	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-66.1	-17.3	176.7	-63.9	167.4	-171.2	172.6	0	113.1	I535 E536 E537	I535-K539 WeakPolarHBondContact O-CE 3.49Å; I535-K539 WeakPolarHBondContact O-CG 3.32Å; E536-K539 VanDerWaalsContact O-CB 3.31Å; E536-K539 WeakPolarHBondContact O-CB 3.39Å; E536-K539 WeakPolarHBondContact O-CG 3.49Å; E536-K539 PolarHBondContact O-N 3.48Å; E536-K539 VanDerWaalsContact O-N 3.17Å; E536-K539 IonicContact OE1-NZ 2.84Å; E536-K539 PolarHBondContact OE1-NZ 2.84Å; E537-K539 PolarHBondContact O-N 3.21Å
540	L	46.5	Very low	64.2	Low	164 Å²	164	76.8 Å²	76.8	86%	0.859	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-91.3	-18.9	178.9	-124.5	72.3	0	0	0	114.1	E537 S538	E537-L540 PolarHBondContact O-N 2.96Å; E537-L540 VanDerWaalsContact O-N 3.07Å; S538-L540 PolarHBondContact O-N 2.97Å
541	Q	52.3	Low	65.4	Low	71 Å²	71	72.6 Å²	72.6	33%	0.332	39%	0.387	S	S	.	.			trans	-89	136.2	-173.8	-66.1	-174.7	-17.9	0	0	112.3	S538	S538-Q541 PolarHBondContact O-N 2.92Å
542	T	57.7	Low	66.6	Low	150 Å²	150	73.9 Å²	73.9	92%	0.92	40%	0.396	S	S	*	.			trans	-109.1	1.3	-179.2	53.2	0	0	0	0	114.1
543	S	70.6	Confident	67.8	Low	90 Å²	90	71.1 Å²	71.1	63%	0.629	38%	0.382	S	S	*	.	S	Bend	trans	-131.9	141.2	-178.5	56.4	0	0	0	0	110.5	Q545	S543-Q545 PolarHBondContact O-N 2.97Å
544	V	82.6	Confident	69.4	Low	49 Å²	49	68.3 Å²	68.3	30%	0.297	36%	0.364	S	S	.	.			trans	-68	119.1	179.6	-167.9	0	0	0	0	110.6	M471 R472 I474 Y485	M471-V544 HydrophobicContact CB-CG1 4.26Å; M471-V544 HydrophobicContact CB-CG2 4.42Å; M471-V544 HydrophobicContact CG-CG1 3.98Å; R472-V544 CarbonylContact O-C 3.58Å; R472-V544 WeakPolarHBondContact O-CA 3.26Å; I474-V544 HydrophobicContact CG2-CG1 3.95Å; Y485-V544 HydrophobicContact CD1-CB 4.34Å; Y485-V544 HydrophobicContact CD1-CG1 3.97Å; Y485-V544 HydrophobicContact CD1-CG2 4.35Å; Y485-V544 HydrophobicContact CG-CG1 4.47Å
545	Q	87.2	Confident	70.9	Confident	80 Å²	80	67.3 Å²	67.3	37%	0.374	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.9	170.3	179.9	169.5	-39.2	0	0	108.9	R472 V473 I474 S543	R472-Q545 PolarHBondContact O-N 2.71Å; V473-Q545 WeakPolarHBondContact CA-O 3.43Å; I474-Q545 PolarHBondContact N-O 3.45Å; S543-Q545 PolarHBondContact O-N 2.97Å
546	C	88.4	Confident	72.2	Confident	9 Å²	9	65.8 Å²	65.8	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133	176.6	-167.4	0	0	0	0	111.4	I474 C482 M549	I474-C546 HydrophobicContact CG2-CB 3.76Å; I474-C546 VanDerWaalsContact CG2-SG 3.58Å; I474-C546 VanDerWaalsContact O-CA 3.31Å; I474-C546 WeakPolarHBondContact O-CA 3.41Å; C482-C546 WeakPolarHBondContact CA-SG 3.31Å; C482-C546 HydrophobicContact CB-CB 3.63Å; C482-C546 WeakPolarHBondContact CB-SG 3.38Å; C482-C546 WeakPolarHBondContact SG-CB 3.16Å; C482-C546 CovalentContact SG-SG 2.03Å; C482-C546 PolarHBondContact SG-SG 3.33Å; C546-M549 WeakPolarHBondContact O-CG 3.48Å
547	T	85.9	Confident	73.7	Confident	29 Å²	29	64.8 Å²	64.8	18%	0.178	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.6	178.4	59.4	0	0	0	0	110.4	I474 E475 M476	I474-T547 PolarHBondContact O-N 3.13Å; E475-T547 CarbonylContact C-O 3.5Å; E475-T547 WeakPolarHBondContact CG-OG1 3.41Å; E475-T547 PolarHBondContact OE1-OG1 2.86Å; M476-T547 PolarHBondContact N-O 3.35Å
548	P	86.5	Confident	75.3	Confident	35 Å²	35	58.6 Å²	58.6	23%	0.227	33%	0.325	C	S	.	.	S	Bend	cis	-68.5	142.9	-14.4	30.5	-33.9	0	0	0	111.1	M476 A479 C482	M476-P548 WeakPolarHBondContact O-CD 3.43Å; A479-P548 VanDerWaalsContact CA-O 3.32Å; A479-P548 WeakPolarHBondContact CA-O 3.4Å; A479-P548 HydrophobicContact CB-CG 4.11Å; A479-P548 WeakPolarHBondContact CB-O 3.32Å; C482-P548 PolarHBondContact SG-O 3.41Å
549	M	80.5	Confident	77.1	Confident	116 Å²	116	58.4 Å²	58.4	57%	0.571	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-67.5	145.6	-178	-64.2	-176.8	-176.9	0	0	112.1	C546	C546-M549 WeakPolarHBondContact O-CG 3.48Å
550	P	83.6	Confident	78.7	Confident	20 Å²	20	52.7 Å²	52.7	13%	0.13	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-61.3	156.1	168.8	-19.5	31.5	0	0	0	112.3	C482 C556	C482-P550 HydrophobicContact CB-CG 4.16Å; P550-C556 VanDerWaalsContact CB-SG 3.57Å
551	G	77.9	Confident	80.3	Confident	28 Å²	28	46.6 Å²	46.6	29%	0.289	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-171.8	-175.4	179.9	0	0	0	0	0	113.7	F553 R554	G551-F553 VanDerWaalsContact C-N 3.27Å; G551-F553 PolarHBondContact O-N 3.46Å; G551-F553 VanDerWaalsContact O-N 3.16Å; G551-R554 PolarHBondContact N-O 3.09Å; G551-R554 CarbonylContact O-C 3.6Å; G551-R554 WeakPolarHBondContact O-CA 3.27Å; G551-R554 PolarHBondContact O-N 3.23Å; G551-R554 VanDerWaalsContact O-O 3.05Å
552	P	76.8	Confident	81.9	Confident	37 Å²	37	45.6 Å²	45.6	24%	0.24	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-43.2	-178	-35.6	42.4	0	0	0	114.6	E808 E809 K812	P552-E808 HydrophobicContact CB-CB 3.72Å; P552-E808 HydrophobicContact CG-CB 3.89Å; P552-E809 WeakPolarHBondContact CA-OE1 3.48Å; P552-E809 HydrophobicContact CB-CG 3.82Å; P552-E809 VanDerWaalsContact CB-OE1 3.28Å; P552-E809 WeakPolarHBondContact CB-OE1 3.38Å; P552-E809 HydrophobicContact CG-CG 3.83Å; P552-K812 VanDerWaalsContact O-CD 3.24Å; P552-K812 WeakPolarHBondContact O-CD 3.38Å; P552-K812 WeakPolarHBondContact O-CE 3.49Å; P552-K812 PolarHBondContact O-NZ 3.21Å
553	F	79.4	Confident	83.2	Confident	27 Å²	27	46.5 Å²	46.5	12%	0.118	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-13.8	178.1	-77.8	-80.9	0	0	0	114.8	G551 P715 F716 L722 E808 L811 K812 L815	G551-F553 VanDerWaalsContact C-N 3.27Å; G551-F553 PolarHBondContact O-N 3.46Å; G551-F553 VanDerWaalsContact O-N 3.16Å; F553-P715 WeakPolarHBondContact O-CD 3.48Å; F553-P715 WeakPolarHBondContact O-CG 3.14Å; F553-F716 HydrophobicContact CD1-CD2 4.17Å; F553-F716 HydrophobicContact CD1-CE2 4.11Å; F553-L722 HydrophobicContact CD2-CD1 3.7Å; F553-L722 HydrophobicContact CE2-CD1 3.61Å; F553-L722 HydrophobicContact CG-CD1 4.41Å; F553-L722 HydrophobicContact CZ-CD1 4.26Å; F553-E808 HydrophobicContact CD2-CB 3.9Å; F553-E808 HydrophobicContact CD2-CG 4.16Å; F553-E808 HydrophobicContact CE2-CB 3.73Å; F553-E808 HydrophobicContact CE2-CG 4.09Å; F553-L811 HydrophobicContact CE2-CB 4.48Å; F553-L811 HydrophobicContact CE2-CD2 4.29Å; F553-L811 HydrophobicContact CZ-CB 4.17Å; F553-L811 HydrophobicContact CZ-CD2 4.01Å; F553-L811 HydrophobicContact CZ-CG 4.05Å; F553-K812 HydrophobicContact CE1-CB 4Å; F553-K812 HydrophobicContact CE2-CB 4.4Å; F553-K812 HydrophobicContact CZ-CB 3.88Å; F553-L815 HydrophobicContact CE1-CD1 4.4Å; F553-L815 HydrophobicContact CZ-CD1 4.49Å
554	R	84.6	Confident	84	Confident	56 Å²	56	48.4 Å²	48.4	21%	0.211	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-137.7	74.9	176.2	-69.8	-172.2	164.6	162.8	-5.3	109.7	A479 Y480 G551 E637	A479-R554 HydrophobicContact CB-CB 4.02Å; Y480-R554 HydrophobicContact CE1-CB 3.94Å; Y480-R554 HydrophobicContact CE1-CG 4.42Å; G551-R554 PolarHBondContact N-O 3.09Å; G551-R554 CarbonylContact O-C 3.6Å; G551-R554 WeakPolarHBondContact O-CA 3.27Å; G551-R554 PolarHBondContact O-N 3.23Å; G551-R554 VanDerWaalsContact O-O 3.05Å; R554-E637 IonicContact CZ-OE1 2.78Å; R554-E637 IonicContact CZ-OE2 2.78Å; R554-E637 IonicContact NE-OE1 3.83Å; R554-E637 PolarHBondContact NE-OE1 3.32Å; R554-E637 IonicContact NE-OE2 3.98Å; R554-E637 PolarHBondContact NE-OE2 3.08Å; R554-E637 IonicContact NH2-OE1 3.18Å; R554-E637 PolarHBondContact NH2-OE1 2.98Å; R554-E637 IonicContact NH2-OE2 2.71Å
555	P	85	Confident	84.2	Confident	17 Å²	17	46.1 Å²	46.1	11%	0.11	25%	0.251	C	S	.	.			trans	-78.8	159.1	-172.3	32.4	-36.2	0	0	0	112.6	Y480 S558 F629	Y480-P555 WeakPolarHBondContact CD1-O 3.27Å; P555-S558 WeakPolarHBondContact CB-O 3.44Å; P555-S558 VanDerWaalsContact CG-O 3.23Å; P555-S558 WeakPolarHBondContact CG-O 3.4Å; P555-F629 HydrophobicContact CG-CD1 4.28Å; P555-F629 HydrophobicContact CG-CE1 4.3Å; P555-F629 WeakPolarHBondContact O-CD1 3.46Å
556	C	84.9	Confident	84.4	Confident	13 Å²	13	42.9 Å²	42.9	9%	0.088	24%	0.236	C	C	.	.	S	Bend	trans	-84.1	-64.6	174.3	-61	0	0	0	0	112.1	C483 P550 F629 N630	C483-C556 HydrophobicContact CB-CB 3.67Å; C483-C556 WeakPolarHBondContact CB-SG 3.31Å; C483-C556 WeakPolarHBondContact SG-CA 3.31Å; C483-C556 WeakPolarHBondContact SG-CB 3.39Å; C483-C556 CovalentContact SG-SG 2.03Å; C483-C556 PolarHBondContact SG-SG 3.01Å; P550-C556 VanDerWaalsContact CB-SG 3.57Å; C556-F629 CarbonylContact O-C 3.26Å; C556-F629 WeakPolarHBondContact O-CB 3.36Å; C556-N630 PolarHBondContact O-N 3.11Å
557	D	84	Confident	84.5	Confident	102 Å²	102	46.4 Å²	46.4	55%	0.545	26%	0.257	S	S	.	.	S	Bend	trans	-71.9	-38.8	-165.7	-37.6	-31	0	0	0	113.4	G627 E628 F629	D557-G627 CarbonylContact O-C 3.49Å; D557-G627 VanDerWaalsContact O-C 3.24Å; D557-G627 WeakPolarHBondContact O-CA 3.35Å; D557-G627 PolarHBondContact O-N 3.32Å; D557-E628 PolarHBondContact O-N 3.31Å; D557-F629 PolarHBondContact O-N 3.3Å
558	S	86.9	Confident	84.7	Confident	14 Å²	14	46 Å²	46	10%	0.098	26%	0.259	C	S	.	.			trans	-162.6	143.7	-178.3	59.4	0	0	0	0	114.1	P555 L560 G561 R566	P555-S558 WeakPolarHBondContact CB-O 3.44Å; P555-S558 VanDerWaalsContact CG-O 3.23Å; P555-S558 WeakPolarHBondContact CG-O 3.4Å; S558-L560 PolarHBondContact O-N 3.2Å; S558-G561 PolarHBondContact O-N 2.93Å; S558-R566 PolarHBondContact OG-NH2 3.15Å
559	L	85.4	Confident	84.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-52	-53.8	-174.7	177	61	0	0	0	113.8	L618 V621 D622 F629 P715 F716	L559-L618 HydrophobicContact CD2-CD2 4.41Å; L559-V621 HydrophobicContact CD2-CB 4.2Å; L559-V621 HydrophobicContact CD2-CG1 3.9Å; L559-D622 HydrophobicContact CB-CB 4.1Å; L559-D622 HydrophobicContact CD2-CB 4.36Å; L559-D622 PolarHBondContact N-OD1 2.89Å; L559-F629 HydrophobicContact CB-CD2 4.17Å; L559-F629 HydrophobicContact CB-CE2 4.07Å; L559-F629 HydrophobicContact CB-CG 4.46Å; L559-F629 HydrophobicContact CB-CZ 4.27Å; L559-F629 HydrophobicContact CD1-CE1 4.35Å; L559-F629 HydrophobicContact CD1-CE2 4.28Å; L559-F629 HydrophobicContact CD1-CZ 3.86Å; L559-P715 HydrophobicContact CD1-CB 3.73Å; L559-P715 HydrophobicContact CD1-CG 3.88Å; L559-F716 HydrophobicContact CD1-CD1 3.85Å; L559-F716 HydrophobicContact CD1-CE1 3.47Å; L559-F716 VanDerWaalsContact CD1-CE1 3.47Å; L559-F716 HydrophobicContact CD1-CZ 4.02Å; L559-F716 HydrophobicContact CG-CD1 4.36Å; L559-F716 HydrophobicContact CG-CE1 3.89Å; L559-F716 VanDerWaalsContact O-CE1 3.31Å; L559-F716 WeakPolarHBondContact O-CE1 3.46Å; L559-F716 VanDerWaalsContact O-CZ 3.26Å; L559-F716 WeakPolarHBondContact O-CZ 3.4Å
560	L	84.9	Confident	85.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-83.2	-24.6	-177	-61.9	176.9	0	0	0	112.5	S558 S562 V565 R566 L569 D622 F716 L816	S558-L560 PolarHBondContact O-N 3.2Å; L560-S562 PolarHBondContact O-N 2.97Å; L560-V565 HydrophobicContact CB-CG1 4.35Å; L560-V565 HydrophobicContact CD2-CG1 4.14Å; L560-R566 HydrophobicContact CB-CG 4.1Å; L560-R566 HydrophobicContact CD1-CG 4.03Å; L560-L569 HydrophobicContact CD1-CD2 3.97Å; L560-L569 HydrophobicContact CD2-CD2 3.88Å; L560-D622 WeakPolarHBondContact CB-OD1 3.01Å; L560-D622 HydrophobicContact CD1-CB 3.83Å; L560-D622 HydrophobicContact CG-CB 3.81Å; L560-D622 PolarHBondContact N-OD1 3.49Å; L560-F716 HydrophobicContact CD2-CE1 4.32Å; L560-L816 HydrophobicContact CD2-CD1 4Å
561	G	81.7	Confident	85.7	Confident	36 Å²	36	46.9 Å²	46.9	37%	0.371	26%	0.258	S	S	.	.			trans	66.2	-67.4	-178.9	0	0	0	0	0	114.1	S558 R566	S558-G561 PolarHBondContact O-N 2.93Å; G561-R566 PolarHBondContact O-NH1 2.65Å; G561-R566 VanDerWaalsContact O-NH1 3.11Å
562	S	85.1	Confident	86.4	Confident	49 Å²	49	46.1 Å²	46.1	34%	0.343	25%	0.247	S	C	.	.			trans	-82.4	130.9	-173.5	178.1	0	0	0	0	113.4	L560 L564 V565 R566	L560-S562 PolarHBondContact O-N 2.97Å; S562-L564 PolarHBondContact O-N 3.43Å; S562-L564 PolarHBondContact OG-N 2.99Å; S562-V565 PolarHBondContact O-N 2.89Å; S562-V565 VanDerWaalsContact O-N 3.09Å; S562-R566 PolarHBondContact O-N 3.37Å
563	W	85.6	Confident	87.1	Confident	169 Å²	169	44.7 Å²	44.7	64%	0.64	24%	0.238	S	C	*	.	H	α-helix	trans	-59.3	-27.8	171.4	-86.8	101	0	0	0	113.8	R566 V567	W563-R566 HydrophobicContact CE3-CB 4.44Å; W563-V567 HydrophobicContact CE3-CG2 4.39Å; W563-V567 WeakPolarHBondContact O-CG2 3.37Å; W563-V567 PolarHBondContact O-N 3Å
564	L	86.8	Confident	87.8	Confident	131 Å²	131	49 Å²	49	69%	0.686	26%	0.262	S	S	*	.	H	α-helix	trans	-66.8	-43.1	174.3	-177.1	65.9	0	0	0	111	S562 G568	S562-L564 PolarHBondContact O-N 3.43Å; S562-L564 PolarHBondContact OG-N 2.99Å; L564-G568 PolarHBondContact O-N 3.46Å
565	V	87.8	Confident	88.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.7	-41.3	177.2	179.9	0	0	0	0	110.4	L560 S562 L569 L816 L817	L560-V565 HydrophobicContact CB-CG1 4.35Å; L560-V565 HydrophobicContact CD2-CG1 4.14Å; S562-V565 PolarHBondContact O-N 2.89Å; S562-V565 VanDerWaalsContact O-N 3.09Å; V565-L569 VanDerWaalsContact O-CB 3.23Å; V565-L569 WeakPolarHBondContact O-CB 3.48Å; V565-L569 PolarHBondContact O-N 3.38Å; V565-L816 HydrophobicContact CG1-CB 4.19Å; V565-L816 HydrophobicContact CG1-CD1 4Å; V565-L817 HydrophobicContact CG1-CD2 4.49Å; V565-L817 HydrophobicContact CG2-CD1 4.39Å
566	R	90.1	Very high	88.4	Confident	12 Å²	12	48 Å²	48	5%	0.045	26%	0.262	C	S	.	.	H	α-helix	trans	-54.1	-63.3	171.6	-71.9	-178.3	170.2	104.3	24.3	111.9	S558 L560 G561 S562 W563 G568 L569 W570 D622	S558-R566 PolarHBondContact OG-NH2 3.15Å; L560-R566 HydrophobicContact CB-CG 4.1Å; L560-R566 HydrophobicContact CD1-CG 4.03Å; G561-R566 PolarHBondContact O-NH1 2.65Å; G561-R566 VanDerWaalsContact O-NH1 3.11Å; S562-R566 PolarHBondContact O-N 3.37Å; W563-R566 HydrophobicContact CE3-CB 4.44Å; R566-G568 VanDerWaalsContact C-N 3.26Å; R566-G568 PolarHBondContact O-N 3.46Å; R566-L569 PolarHBondContact O-N 3.38Å; R566-L569 VanDerWaalsContact O-N 3.13Å; R566-W570 WeakPolarHBondContact O-CB 3.38Å; R566-W570 VanDerWaalsContact O-CG 3.28Å; R566-W570 PolarHBondContact O-N 3.27Å; R566-D622 IonicContact CZ-OD1 3.76Å; R566-D622 IonicContact CZ-OD2 3.9Å; R566-D622 IonicContact NE-OD1 3.52Å; R566-D622 IonicContact NE-OD2 3.33Å; R566-D622 PolarHBondContact NE-OD2 2.85Å; R566-D622 IonicContact NH2-OD1 3.07Å; R566-D622 PolarHBondContact NH2-OD1 2.91Å; R566-D622 IonicContact NH2-OD2 3.4Å; R566-D622 PolarHBondContact NH2-OD2 3.09Å
567	V	90.6	Very high	88.8	Confident	84 Å²	84	49.8 Å²	49.8	51%	0.509	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-36.7	-174.3	173.8	0	0	0	0	111.7	W563 S571	W563-V567 HydrophobicContact CE3-CG2 4.39Å; W563-V567 WeakPolarHBondContact O-CG2 3.37Å; W563-V567 PolarHBondContact O-N 3Å; V567-S571 WeakPolarHBondContact O-CB 3.32Å; V567-S571 PolarHBondContact O-N 3.2Å; V567-S571 VanDerWaalsContact O-N 3.12Å; V567-S571 PolarHBondContact O-OG 2.78Å
568	G	90.7	Very high	89.1	Confident	21 Å²	21	49.9 Å²	49.9	22%	0.216	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-54.2	171.9	0	0	0	0	0	112.6	L564 R566 W570 S571 I572	L564-G568 PolarHBondContact O-N 3.46Å; R566-G568 VanDerWaalsContact C-N 3.26Å; R566-G568 PolarHBondContact O-N 3.46Å; G568-W570 PolarHBondContact O-N 3.24Å; G568-S571 WeakPolarHBondContact O-CB 3.48Å; G568-S571 PolarHBondContact O-N 3.1Å; G568-I572 WeakPolarHBondContact O-CB 3.46Å; G568-I572 VanDerWaalsContact O-CG1 3.31Å; G568-I572 WeakPolarHBondContact O-CG1 3.47Å; G568-I572 PolarHBondContact O-N 3.46Å
569	L	90.8	Very high	89.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-35.9	-176.3	-165.3	63.2	0	0	0	112.7	L560 V565 R566 I572 S573 T615 L618 V619 L816 L817	L560-L569 HydrophobicContact CD1-CD2 3.97Å; L560-L569 HydrophobicContact CD2-CD2 3.88Å; V565-L569 VanDerWaalsContact O-CB 3.23Å; V565-L569 WeakPolarHBondContact O-CB 3.48Å; V565-L569 PolarHBondContact O-N 3.38Å; R566-L569 PolarHBondContact O-N 3.38Å; R566-L569 VanDerWaalsContact O-N 3.13Å; L569-I572 PolarHBondContact O-N 3.33Å; L569-S573 WeakPolarHBondContact O-CB 3.49Å; L569-S573 PolarHBondContact O-N 3.37Å; L569-T615 HydrophobicContact CD1-CG2 3.64Å; L569-L618 HydrophobicContact CD2-CB 4.35Å; L569-V619 HydrophobicContact CB-CG2 4.05Å; L569-V619 HydrophobicContact CD2-CG2 3.75Å; L569-V619 HydrophobicContact CG-CG2 3.67Å; L569-L816 WeakPolarHBondContact CD1-O 3.17Å; L569-L817 HydrophobicContact CB-CD2 4.44Å
570	W	90	Very high	89.4	Confident	126 Å²	126	49.5 Å²	49.5	48%	0.477	27%	0.269	S	S	.	.	H	α-helix	trans	-60.7	-45.4	172.3	-71.7	31.3	0	0	0	110.9	R566 G568 L574 V619	R566-W570 WeakPolarHBondContact O-CB 3.38Å; R566-W570 VanDerWaalsContact O-CG 3.28Å; R566-W570 PolarHBondContact O-N 3.27Å; G568-W570 PolarHBondContact O-N 3.24Å; W570-L574 WeakPolarHBondContact O-CB 3.36Å; W570-L574 PolarHBondContact O-N 2.91Å; W570-V619 VanDerWaalsContact CD1-CG1 3.48Å; W570-V619 HydrophobicContact CD2-CG1 4.45Å; W570-V619 HydrophobicContact CG-CG1 4.1Å; W570-V619 HydrophobicContact CG-CG2 4.48Å
571	S	91.5	Very high	89.5	Confident	62 Å²	62	51.5 Å²	51.5	43%	0.434	29%	0.285	S	S	.	.	H	α-helix	trans	-65.7	-42	177.6	-57.7	0	0	0	0	111.7	V567 G568 V575	V567-S571 WeakPolarHBondContact O-CB 3.32Å; V567-S571 PolarHBondContact O-N 3.2Å; V567-S571 VanDerWaalsContact O-N 3.12Å; V567-S571 PolarHBondContact O-OG 2.78Å; G568-S571 WeakPolarHBondContact O-CB 3.48Å; G568-S571 PolarHBondContact O-N 3.1Å; S571-V575 WeakPolarHBondContact O-CB 3.23Å; S571-V575 VanDerWaalsContact O-CG2 3.26Å; S571-V575 WeakPolarHBondContact O-CG2 3.2Å; S571-V575 PolarHBondContact O-N 3.24Å
572	I	91.6	Very high	89.7	Confident	12 Å²	12	53.2 Å²	53.2	6%	0.062	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-49.1	176.5	-76.2	166.3	0	0	0	110.7	G568 L569 V575 S576 T615 L817 P820 L821 C824	G568-I572 WeakPolarHBondContact O-CB 3.46Å; G568-I572 VanDerWaalsContact O-CG1 3.31Å; G568-I572 WeakPolarHBondContact O-CG1 3.47Å; G568-I572 PolarHBondContact O-N 3.46Å; L569-I572 PolarHBondContact O-N 3.33Å; I572-V575 PolarHBondContact O-N 3.31Å; I572-S576 VanDerWaalsContact O-CB 3.28Å; I572-S576 WeakPolarHBondContact O-CB 3.43Å; I572-S576 PolarHBondContact O-N 2.74Å; I572-S576 PolarHBondContact O-OG 2.69Å; I572-T615 HydrophobicContact CG2-CG2 4.25Å; I572-L817 HydrophobicContact CD1-CD2 4.13Å; I572-L817 WeakPolarHBondContact CD1-O 3.39Å; I572-P820 HydrophobicContact CD1-CG 4.43Å; I572-P820 HydrophobicContact CG2-CB 3.93Å; I572-P820 HydrophobicContact CG2-CG 4.02Å; I572-L821 HydrophobicContact CD1-CD1 4.34Å; I572-L821 HydrophobicContact CG1-CD1 4.18Å; I572-C824 VanDerWaalsContact CA-SG 3.5Å; I572-C824 PolarHBondContact O-SG 3.11Å
573	S	92.6	Very high	89.7	Confident	7 Å²	7	51.1 Å²	51.1	5%	0.049	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-47.2	178.9	-173	0	0	0	0	111.7	L569 V575 S576 L577 G612 C616	L569-S573 WeakPolarHBondContact O-CB 3.49Å; L569-S573 PolarHBondContact O-N 3.37Å; S573-V575 PolarHBondContact O-N 3.12Å; S573-S576 PolarHBondContact O-OG 3.4Å; S573-S576 VanDerWaalsContact O-OG 3.11Å; S573-L577 VanDerWaalsContact O-CB 3.31Å; S573-L577 WeakPolarHBondContact O-CB 3.33Å; S573-L577 VanDerWaalsContact O-CG 3.23Å; S573-L577 WeakPolarHBondContact O-CG 3.35Å; S573-L577 PolarHBondContact O-N 3.4Å; S573-G612 PolarHBondContact OG-O 3.35Å; S573-G612 VanDerWaalsContact OG-O 3.05Å; S573-C616 WeakPolarHBondContact OG-CA 3.15Å; S573-C616 VanDerWaalsContact OG-CB 3.24Å; S573-C616 WeakPolarHBondContact OG-CB 3.47Å; S573-C616 PolarHBondContact OG-N 2.85Å
574	L	92.3	Very high	89.6	Confident	117 Å²	117	45.7 Å²	45.7	61%	0.613	25%	0.251	S	S	*	.	H	α-helix	trans	-61.4	-46.4	178.7	-179.4	62	0	0	0	112.7	W570 L578	W570-L574 WeakPolarHBondContact O-CB 3.36Å; W570-L574 PolarHBondContact O-N 2.91Å; L574-L578 VanDerWaalsContact O-CB 3.26Å; L574-L578 WeakPolarHBondContact O-CB 3.45Å; L574-L578 PolarHBondContact O-N 3.33Å
575	V	92.1	Very high	89.4	Confident	54 Å²	54	45.8 Å²	45.8	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-73.1	-38.3	-177.1	174.2	0	0	0	0	111.9	S571 I572 S573 G579 C824 L828	S571-V575 WeakPolarHBondContact O-CB 3.23Å; S571-V575 VanDerWaalsContact O-CG2 3.26Å; S571-V575 WeakPolarHBondContact O-CG2 3.2Å; S571-V575 PolarHBondContact O-N 3.24Å; I572-V575 PolarHBondContact O-N 3.31Å; S573-V575 PolarHBondContact O-N 3.12Å; V575-G579 VanDerWaalsContact O-CA 3.29Å; V575-G579 WeakPolarHBondContact O-CA 3.4Å; V575-G579 PolarHBondContact O-N 3.19Å; V575-C824 HydrophobicContact CB-CB 4.31Å; V575-C824 HydrophobicContact CG1-CB 3.84Å; V575-L828 HydrophobicContact CG1-CD1 3.89Å; V575-L828 HydrophobicContact CG1-CG 4.45Å
576	S	92.1	Very high	89	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.4	-43.8	175.4	56.9	0	0	0	0	111.9	I572 S573 N580 G612	I572-S576 VanDerWaalsContact O-CB 3.28Å; I572-S576 WeakPolarHBondContact O-CB 3.43Å; I572-S576 PolarHBondContact O-N 2.74Å; I572-S576 PolarHBondContact O-OG 2.69Å; S573-S576 PolarHBondContact O-OG 3.4Å; S573-S576 VanDerWaalsContact O-OG 3.11Å; S576-N580 VanDerWaalsContact O-CB 3.31Å; S576-N580 WeakPolarHBondContact O-CB 3.36Å; S576-N580 PolarHBondContact O-N 3.18Å; S576-N580 PolarHBondContact O-ND2 2.97Å; S576-G612 WeakPolarHBondContact OG-CA 3.12Å
577	L	92.1	Very high	88.3	Confident	49 Å²	49	47.8 Å²	47.8	26%	0.257	27%	0.266	S	S	.	.	H	α-helix	trans	-63.8	-54.9	176.8	-70.2	173.7	0	0	0	111.7	S573 A581 L609 V613 C616	S573-L577 VanDerWaalsContact O-CB 3.31Å; S573-L577 WeakPolarHBondContact O-CB 3.33Å; S573-L577 VanDerWaalsContact O-CG 3.23Å; S573-L577 WeakPolarHBondContact O-CG 3.35Å; S573-L577 PolarHBondContact O-N 3.4Å; L577-A581 WeakPolarHBondContact O-CB 3.4Å; L577-A581 PolarHBondContact O-N 3.22Å; L577-L609 HydrophobicContact CD2-CD1 3.92Å; L577-V613 HydrophobicContact CD2-CG2 3.91Å; L577-C616 HydrophobicContact CD1-CB 4.26Å
578	L	91.1	Very high	87.6	Confident	104 Å²	104	49.8 Å²	49.8	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-68	-43.2	-177.6	-176.7	62.6	0	0	0	112.2	L574 A581 I582	L574-L578 VanDerWaalsContact O-CB 3.26Å; L574-L578 WeakPolarHBondContact O-CB 3.45Å; L574-L578 PolarHBondContact O-N 3.33Å; L578-A581 PolarHBondContact O-N 3.03Å; L578-I582 HydrophobicContact CD1-CD1 3.99Å; L578-I582 HydrophobicContact CD1-CG1 4.39Å; L578-I582 HydrophobicContact CG-CD1 3.92Å; L578-I582 VanDerWaalsContact O-CG1 3.3Å; L578-I582 WeakPolarHBondContact O-CG1 3.4Å; L578-I582 PolarHBondContact O-N 2.97Å
579	G	88.8	Confident	86.5	Confident	7 Å²	7	51.8 Å²	51.8	7%	0.072	29%	0.289	C	S	.	.	H	α-helix	trans	-64.6	-46.6	-178.7	0	0	0	0	0	112.6	V575 I582 L583 P827	V575-G579 VanDerWaalsContact O-CA 3.29Å; V575-G579 WeakPolarHBondContact O-CA 3.4Å; V575-G579 PolarHBondContact O-N 3.19Å; G579-I582 PolarHBondContact O-N 3.33Å; G579-L583 WeakPolarHBondContact O-CB 3.48Å; G579-L583 PolarHBondContact O-N 3.09Å; G579-P827 VanDerWaalsContact C-CB 3.47Å; G579-P827 WeakPolarHBondContact O-CB 3.26Å
580	N	88.5	Confident	85.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-72.5	-31.6	177.1	-66.6	-73.6	0	0	0	111.8	S576 L583 F584 L609 A823	S576-N580 VanDerWaalsContact O-CB 3.31Å; S576-N580 WeakPolarHBondContact O-CB 3.36Å; S576-N580 PolarHBondContact O-N 3.18Å; S576-N580 PolarHBondContact O-ND2 2.97Å; N580-L583 WeakPolarHBondContact O-CB 3.31Å; N580-L583 PolarHBondContact O-N 3Å; N580-F584 VanDerWaalsContact O-CD2 3.23Å; N580-F584 WeakPolarHBondContact O-CD2 3.26Å; N580-F584 PolarHBondContact O-N 3.44Å; N580-L609 HydrophobicContact CB-CB 4.13Å; N580-L609 HydrophobicContact CB-CD1 4.19Å; N580-A823 PolarHBondContact ND2-O 3.31Å
581	A	87.9	Confident	83.6	Confident	41 Å²	41	54.7 Å²	54.7	34%	0.339	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-42.9	171.5	0	0	0	0	0	112.5	L577 L578 F584 L585	L577-A581 WeakPolarHBondContact O-CB 3.4Å; L577-A581 PolarHBondContact O-N 3.22Å; L578-A581 PolarHBondContact O-N 3.03Å; A581-F584 PolarHBondContact O-N 3.2Å; A581-L585 WeakPolarHBondContact O-CG 3.46Å; A581-L585 PolarHBondContact O-N 3Å
582	I	86.2	Confident	82.1	Confident	73 Å²	73	54.4 Å²	54.4	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-65.6	-39.7	174.4	-67.8	167.4	0	0	0	110.9	L578 G579 F584 L585 S586 L831	L578-I582 HydrophobicContact CD1-CD1 3.99Å; L578-I582 HydrophobicContact CD1-CG1 4.39Å; L578-I582 HydrophobicContact CG-CD1 3.92Å; L578-I582 VanDerWaalsContact O-CG1 3.3Å; L578-I582 WeakPolarHBondContact O-CG1 3.4Å; L578-I582 PolarHBondContact O-N 2.97Å; G579-I582 PolarHBondContact O-N 3.33Å; I582-F584 PolarHBondContact O-N 3.07Å; I582-L585 PolarHBondContact O-N 3.28Å; I582-S586 WeakPolarHBondContact O-CB 3.46Å; I582-S586 PolarHBondContact O-N 2.96Å; I582-S586 PolarHBondContact O-OG 3.32Å; I582-L831 HydrophobicContact CB-CD1 4.44Å; I582-L831 HydrophobicContact CG2-CD1 3.86Å; I582-L831 HydrophobicContact CG2-CD2 4.11Å
583	L	85	Confident	80.7	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	37%	0.368	C	S	.	.	H	α-helix	trans	-55.8	-49.6	172	177.7	63.1	0	0	0	111.2	G579 N580 L585 S586 L587 V601 P827 F830	G579-L583 WeakPolarHBondContact O-CB 3.48Å; G579-L583 PolarHBondContact O-N 3.09Å; N580-L583 WeakPolarHBondContact O-CB 3.31Å; N580-L583 PolarHBondContact O-N 3Å; L583-L585 PolarHBondContact O-N 2.72Å; L583-S586 PolarHBondContact O-N 3.44Å; L583-S586 PolarHBondContact O-OG 3.33Å; L583-L587 HydrophobicContact CD1-CD1 3.87Å; L583-L587 HydrophobicContact CD1-CG 4.21Å; L583-L587 HydrophobicContact CG-CD1 3.94Å; L583-L587 WeakPolarHBondContact O-CG 3.48Å; L583-L587 PolarHBondContact O-N 3.39Å; L583-V601 HydrophobicContact CD1-CG1 4.36Å; L583-V601 HydrophobicContact CD2-CG1 4.4Å; L583-P827 HydrophobicContact CB-CB 4.2Å; L583-P827 HydrophobicContact CD2-CB 4.22Å; L583-F830 HydrophobicContact CD1-CB 4.17Å; L583-F830 HydrophobicContact CD1-CD1 3.19Å; L583-F830 HydrophobicContact CD1-CD2 4.35Å; L583-F830 HydrophobicContact CD1-CE1 3.52Å; L583-F830 HydrophobicContact CD1-CG 3.65Å; L583-F830 HydrophobicContact CD1-CZ 4.23Å
584	F	83.4	Confident	79.5	Confident	56 Å²	56	62.1 Å²	62.1	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-57.1	-49.5	174.7	-89.3	-71.8	0	0	0	112.7	N580 A581 I582 S586 L587 F588 A602 A606 L609	N580-F584 VanDerWaalsContact O-CD2 3.23Å; N580-F584 WeakPolarHBondContact O-CD2 3.26Å; N580-F584 PolarHBondContact O-N 3.44Å; A581-F584 PolarHBondContact O-N 3.2Å; I582-F584 PolarHBondContact O-N 3.07Å; F584-S586 VanDerWaalsContact C-N 3.3Å; F584-S586 PolarHBondContact O-N 2.55Å; F584-L587 PolarHBondContact O-N 2.98Å; F584-F588 AromaticContact CD1-CD2 3.89Å; F584-F588 HydrophobicContact CD1-CD2 3.89Å; F584-F588 AromaticContact CD1-CE2 3.65Å; F584-F588 HydrophobicContact CD1-CE2 3.65Å; F584-F588 AromaticContact CE1-CE2 3.93Å; F584-F588 HydrophobicContact CE1-CE2 3.93Å; F584-F588 WeakPolarHBondContact O-CD2 3.14Å; F584-F588 PolarHBondContact O-N 2.64Å; F584-A602 WeakPolarHBondContact CZ-O 3.27Å; F584-A606 HydrophobicContact CE2-CB 4.49Å; F584-A606 HydrophobicContact CZ-CB 3.91Å; F584-L609 HydrophobicContact CD2-CD2 4.49Å; F584-L609 HydrophobicContact CE2-CD2 4.32Å
585	L	82.9	Confident	78.6	Confident	132 Å²	132	58.5 Å²	58.5	69%	0.691	37%	0.366	S	S	*	.	H	α-helix	trans	-60.2	-38.9	178.7	-70.4	170.1	0	0	0	112.2	A581 I582 L583 G589	A581-L585 WeakPolarHBondContact O-CG 3.46Å; A581-L585 PolarHBondContact O-N 3Å; I582-L585 PolarHBondContact O-N 3.28Å; L583-L585 PolarHBondContact O-N 2.72Å; L585-G589 WeakPolarHBondContact O-CA 3.18Å; L585-G589 PolarHBondContact O-N 2.87Å
586	S	78.3	Confident	77.8	Confident	44 Å²	44	57.4 Å²	57.4	31%	0.308	36%	0.36	S	S	.	.	H	α-helix	trans	-68.2	-39.9	176.8	73.2	0	0	0	0	113.4	I582 L583 F584	I582-S586 WeakPolarHBondContact O-CB 3.46Å; I582-S586 PolarHBondContact O-N 2.96Å; I582-S586 PolarHBondContact O-OG 3.32Å; L583-S586 PolarHBondContact O-N 3.44Å; L583-S586 PolarHBondContact O-OG 3.33Å; F584-S586 VanDerWaalsContact C-N 3.3Å; F584-S586 PolarHBondContact O-N 2.55Å
587	L	76.7	Confident	76.9	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.052	36%	0.364	C	S	.	.	H	α-helix	trans	-71.2	-47.1	-178.5	-72.2	169.8	0	0	0	111.3	L583 F584 S590 R598 V601 A602 F830	L583-L587 HydrophobicContact CD1-CD1 3.87Å; L583-L587 HydrophobicContact CD1-CG 4.21Å; L583-L587 HydrophobicContact CG-CD1 3.94Å; L583-L587 WeakPolarHBondContact O-CG 3.48Å; L583-L587 PolarHBondContact O-N 3.39Å; F584-L587 PolarHBondContact O-N 2.98Å; L587-S590 PolarHBondContact O-OG 2.82Å; L587-R598 HydrophobicContact CD2-CB 4.43Å; L587-R598 HydrophobicContact CD2-CG 4.4Å; L587-V601 HydrophobicContact CD1-CG1 4.44Å; L587-A602 HydrophobicContact CD1-CB 4.04Å; L587-F830 HydrophobicContact CD2-CE1 4.28Å; L587-F830 HydrophobicContact CD2-CZ 3.8Å
588	F	75.2	Confident	76.2	Confident	127 Å²	127	60.7 Å²	60.7	56%	0.557	37%	0.37	S	S	*	.	H	α-helix	trans	-87.7	-17.7	-176.4	-71.7	-86.8	0	0	0	114.2	F584 S590 L594 A602	F584-F588 AromaticContact CD1-CD2 3.89Å; F584-F588 HydrophobicContact CD1-CD2 3.89Å; F584-F588 AromaticContact CD1-CE2 3.65Å; F584-F588 HydrophobicContact CD1-CE2 3.65Å; F584-F588 AromaticContact CE1-CE2 3.93Å; F584-F588 HydrophobicContact CE1-CE2 3.93Å; F584-F588 WeakPolarHBondContact O-CD2 3.14Å; F584-F588 PolarHBondContact O-N 2.64Å; F588-S590 VanDerWaalsContact C-N 3.3Å; F588-L594 HydrophobicContact CE1-CD1 4.31Å; F588-A602 HydrophobicContact CE2-CB 4.36Å
589	G	68.1	Low	75.8	Confident	62 Å²	62	57.3 Å²	57.3	64%	0.639	35%	0.351	S	S	*	.	S	Bend	trans	-75.3	-14.4	172.5	0	0	0	0	0	114.3	L585	L585-G589 WeakPolarHBondContact O-CA 3.18Å; L585-G589 PolarHBondContact O-N 2.87Å
590	S	65.4	Low	75.5	Confident	45 Å²	45	57.1 Å²	57.1	32%	0.315	35%	0.348	S	S	.	.	S	Bend	trans	-85.1	122.5	179.2	74.3	0	0	0	0	111.9	L587 F588 G592	L587-S590 PolarHBondContact O-OG 2.82Å; F588-S590 VanDerWaalsContact C-N 3.3Å; S590-G592 VanDerWaalsContact C-N 3.35Å; S590-G592 PolarHBondContact O-N 2.84Å
591	P	53.3	Low	75.3	Confident	143 Å²	143	57.5 Å²	57.5	93%	0.929	35%	0.351	S	S	*	.			trans	-79	80.5	-178.9	31.6	-35	0	0	0	111.4
592	G	61.2	Low	75.1	Confident	56 Å²	56	56 Å²	56	58%	0.577	34%	0.338	S	S	*	.	S	Bend	trans	-156.2	166.8	177.3	0	0	0	0	0	112.9	S590	S590-G592 VanDerWaalsContact C-N 3.35Å; S590-G592 PolarHBondContact O-N 2.84Å
593	S	61.6	Low	75.2	Confident	117 Å²	117	53.5 Å²	53.5	82%	0.818	33%	0.327	S	S	*	.			trans	-73.1	136.6	174.4	43.7	0	0	0	0	111.3	S595	S593-S595 PolarHBondContact O-N 3.34Å
594	L	67.6	Low	75.3	Confident	64 Å²	64	53.8 Å²	53.8	34%	0.335	33%	0.329	S	S	.	.			trans	-67	115.9	177.6	-78.6	160.4	0	0	0	110.7	F588 R598	F588-L594 HydrophobicContact CE1-CD1 4.31Å; L594-R598 HydrophobicContact CD2-CB 4.15Å
595	S	74	Confident	75.5	Confident	41 Å²	41	51.1 Å²	51.1	29%	0.287	32%	0.317	S	S	.	.			trans	-70.8	155.9	169.4	72.7	0	0	0	0	110.9	S593 L597 R598 F599	S593-S595 PolarHBondContact O-N 3.34Å; S595-L597 PolarHBondContact O-N 3.01Å; S595-R598 PolarHBondContact O-N 3.27Å; S595-R598 VanDerWaalsContact O-N 3.11Å; S595-R598 WeakPolarHBondContact OG-CG 3.24Å; S595-R598 PolarHBondContact OG-N 3.26Å; S595-F599 PolarHBondContact O-N 2.88Å
596	P	74.4	Confident	75.9	Confident	31 Å²	31	46.8 Å²	46.8	20%	0.201	30%	0.3	C	S	.	.	H	α-helix	trans	-57.6	-35.3	-176.4	-23.8	32.9	0	0	0	113.5	F599 I600 L683 V686	P596-F599 PolarHBondContact O-N 3.19Å; P596-I600 WeakPolarHBondContact O-CG1 3.23Å; P596-I600 PolarHBondContact O-N 2.71Å; P596-L683 HydrophobicContact CB-CD1 4.08Å; P596-L683 HydrophobicContact CG-CB 4.21Å; P596-L683 HydrophobicContact CG-CD1 3.95Å; P596-V686 HydrophobicContact CB-CB 4.1Å; P596-V686 HydrophobicContact CB-CG1 4.09Å; P596-V686 HydrophobicContact CB-CG2 3.93Å
597	L	72.4	Confident	76.5	Confident	17 Å²	17	44.9 Å²	44.9	9%	0.089	29%	0.286	C	S	.	.	H	α-helix	trans	-72.9	-40.3	177.4	-175.7	58.3	0	0	0	112.5	S595 F599 I600 V601 M774 V778	S595-L597 PolarHBondContact O-N 3.01Å; L597-F599 PolarHBondContact O-N 3.14Å; L597-I600 PolarHBondContact O-N 3.07Å; L597-V601 WeakPolarHBondContact O-CG2 3.3Å; L597-V601 PolarHBondContact O-N 2.98Å; L597-M774 HydrophobicContact CD2-CB 3.89Å; L597-M774 HydrophobicContact CD2-CE 3.75Å; L597-M774 HydrophobicContact CG-CE 4.05Å; L597-V778 HydrophobicContact CD1-CG2 3.82Å; L597-V778 HydrophobicContact CD2-CG2 3.98Å; L597-V778 HydrophobicContact CG-CG2 4.44Å
598	R	78.3	Confident	77.2	Confident	101 Å²	101	44.7 Å²	44.7	38%	0.381	29%	0.285	S	S	.	.	H	α-helix	trans	-61.9	-34.1	173.2	-73.4	-178.2	-176.7	-162.8	1.4	111.7	L587 L594 S595 A602	L587-R598 HydrophobicContact CD2-CB 4.43Å; L587-R598 HydrophobicContact CD2-CG 4.4Å; L594-R598 HydrophobicContact CD2-CB 4.15Å; S595-R598 PolarHBondContact O-N 3.27Å; S595-R598 VanDerWaalsContact O-N 3.11Å; S595-R598 WeakPolarHBondContact OG-CG 3.24Å; S595-R598 PolarHBondContact OG-N 3.26Å; R598-A602 WeakPolarHBondContact O-CB 3.45Å; R598-A602 PolarHBondContact O-N 3.24Å
599	F	83.3	Confident	78	Confident	32 Å²	32	41.1 Å²	41.1	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-47.6	173.7	178.5	-96.7	0	0	0	112.3	S595 P596 L597 V601 A602 C603 R687 A690	S595-F599 PolarHBondContact O-N 2.88Å; P596-F599 PolarHBondContact O-N 3.19Å; L597-F599 PolarHBondContact O-N 3.14Å; F599-V601 VanDerWaalsContact C-N 3.34Å; F599-V601 PolarHBondContact O-N 3.46Å; F599-A602 WeakPolarHBondContact O-CB 3.28Å; F599-A602 PolarHBondContact O-N 2.91Å; F599-C603 PolarHBondContact O-N 3.09Å; F599-C603 PolarHBondContact O-SG 3.07Å; F599-R687 HydrophobicContact CD1-CG 4.01Å; F599-R687 HydrophobicContact CE1-CB 4.38Å; F599-R687 HydrophobicContact CE1-CG 3.73Å; F599-R687 HydrophobicContact CE2-CG 4.28Å; F599-R687 HydrophobicContact CG-CG 4.42Å; F599-R687 HydrophobicContact CZ-CG 3.88Å; F599-A690 HydrophobicContact CE1-CB 3.87Å
600	I	82.4	Confident	79.2	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-42.7	176.6	-60	163.2	0	0	0	111	P596 L597 A602 C603 M604 L659 L662 A663 Q666 V686	P596-I600 WeakPolarHBondContact O-CG1 3.23Å; P596-I600 PolarHBondContact O-N 2.71Å; L597-I600 PolarHBondContact O-N 3.07Å; I600-A602 VanDerWaalsContact C-N 3.32Å; I600-A602 PolarHBondContact O-N 3.44Å; I600-C603 PolarHBondContact O-N 3.09Å; I600-M604 WeakPolarHBondContact O-CB 3.38Å; I600-M604 PolarHBondContact O-N 2.91Å; I600-L659 HydrophobicContact CG2-CB 4.4Å; I600-L662 HydrophobicContact CD1-CG 4.29Å; I600-A663 HydrophobicContact CG2-CB 4.03Å; I600-Q666 HydrophobicContact CD1-CB 4.31Å; I600-Q666 HydrophobicContact CD1-CG 4.22Å; I600-V686 HydrophobicContact CD1-CG1 3.71Å; I600-V686 HydrophobicContact CG1-CG1 3.85Å
601	V	82.9	Confident	80.5	Confident	8 Å²	8	39.6 Å²	39.6	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-37.6	176.7	173.8	0	0	0	0	111.8	L583 L587 L597 F599 M604 G605 F830	L583-V601 HydrophobicContact CD1-CG1 4.36Å; L583-V601 HydrophobicContact CD2-CG1 4.4Å; L587-V601 HydrophobicContact CD1-CG1 4.44Å; L597-V601 WeakPolarHBondContact O-CG2 3.3Å; L597-V601 PolarHBondContact O-N 2.98Å; F599-V601 VanDerWaalsContact C-N 3.34Å; F599-V601 PolarHBondContact O-N 3.46Å; V601-M604 PolarHBondContact O-N 2.88Å; V601-G605 PolarHBondContact O-N 3.39Å; V601-F830 HydrophobicContact CG1-CD2 3.87Å; V601-F830 HydrophobicContact CG1-CE2 3.9Å
602	A	84.2	Confident	82.4	Confident	9 Å²	9	32.8 Å²	32.8	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-64.6	-42	173.8	0	0	0	0	0	112.3	F584 L587 F588 R598 F599 I600 G605 A606	F584-A602 WeakPolarHBondContact CZ-O 3.27Å; L587-A602 HydrophobicContact CD1-CB 4.04Å; F588-A602 HydrophobicContact CE2-CB 4.36Å; R598-A602 WeakPolarHBondContact O-CB 3.45Å; R598-A602 PolarHBondContact O-N 3.24Å; F599-A602 WeakPolarHBondContact O-CB 3.28Å; F599-A602 PolarHBondContact O-N 2.91Å; I600-A602 VanDerWaalsContact C-N 3.32Å; I600-A602 PolarHBondContact O-N 3.44Å; A602-G605 PolarHBondContact O-N 2.98Å; A602-A606 PolarHBondContact O-N 3.48Å
603	C	87.8	Confident	83.9	Confident	22 Å²	22	33.5 Å²	33.5	15%	0.149	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-43.2	175.1	-67.1	0	0	0	0	112.1	F599 I600 G605 A606 S607 L659	F599-C603 PolarHBondContact O-N 3.09Å; F599-C603 PolarHBondContact O-SG 3.07Å; I600-C603 PolarHBondContact O-N 3.09Å; C603-G605 VanDerWaalsContact C-N 3.3Å; C603-G605 PolarHBondContact O-N 3.16Å; C603-A606 VanDerWaalsContact O-CB 3.32Å; C603-A606 WeakPolarHBondContact O-CB 3.32Å; C603-A606 PolarHBondContact O-N 3.47Å; C603-A606 VanDerWaalsContact O-N 3.1Å; C603-S607 PolarHBondContact O-N 3.33Å; C603-S607 VanDerWaalsContact O-N 3.14Å; C603-S607 PolarHBondContact O-OG 3.45Å; C603-L659 HydrophobicContact CB-CD1 3.64Å; C603-L659 HydrophobicContact CB-CD2 4.17Å
604	M	87.6	Confident	85.4	Confident	10 Å²	10	28.1 Å²	28.1	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-64	-37.2	175.6	-171.4	-178.4	67.8	0	0	111.3	I600 V601 A606 S607 N608 L781 N826	I600-M604 WeakPolarHBondContact O-CB 3.38Å; I600-M604 PolarHBondContact O-N 2.91Å; V601-M604 PolarHBondContact O-N 2.88Å; M604-A606 VanDerWaalsContact C-N 3.32Å; M604-A606 PolarHBondContact O-N 3.44Å; M604-S607 PolarHBondContact O-N 3.48Å; M604-N608 WeakPolarHBondContact O-CB 3.35Å; M604-N608 PolarHBondContact O-N 3.33Å; M604-N608 PolarHBondContact O-ND2 2.99Å; M604-N608 VanDerWaalsContact O-ND2 3.13Å; M604-L781 HydrophobicContact CE-CD1 4.24Å; M604-L781 HydrophobicContact CE-CD2 4.35Å; M604-N826 HydrophobicContact CE-CB 4.41Å
605	G	88.2	Confident	86.6	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-36.2	170.8	0	0	0	0	0	113.4	V601 A602 C603 L609	V601-G605 PolarHBondContact O-N 3.39Å; A602-G605 PolarHBondContact O-N 2.98Å; C603-G605 VanDerWaalsContact C-N 3.3Å; C603-G605 PolarHBondContact O-N 3.16Å; G605-L609 VanDerWaalsContact O-CB 3.31Å; G605-L609 WeakPolarHBondContact O-CB 3.43Å; G605-L609 PolarHBondContact O-N 2.95Å
606	A	90.5	Very high	87.5	Confident	40 Å²	40	25.5 Å²	25.5	33%	0.331	14%	0.143	S	C	.	.	H	α-helix	trans	-64.5	-47.8	173.5	0	0	0	0	0	111.5	F584 A602 C603 M604 N608 L609 L610	F584-A606 HydrophobicContact CE2-CB 4.49Å; F584-A606 HydrophobicContact CZ-CB 3.91Å; A602-A606 PolarHBondContact O-N 3.48Å; C603-A606 VanDerWaalsContact O-CB 3.32Å; C603-A606 WeakPolarHBondContact O-CB 3.32Å; C603-A606 PolarHBondContact O-N 3.47Å; C603-A606 VanDerWaalsContact O-N 3.1Å; M604-A606 VanDerWaalsContact C-N 3.32Å; M604-A606 PolarHBondContact O-N 3.44Å; A606-N608 PolarHBondContact O-N 3.01Å; A606-L609 WeakPolarHBondContact O-CB 3.35Å; A606-L609 PolarHBondContact O-N 2.78Å; A606-L610 WeakPolarHBondContact O-CG 3.26Å; A606-L610 PolarHBondContact O-N 2.97Å
607	S	92.4	Very high	88.4	Confident	4 Å²	4	26.2 Å²	26.2	3%	0.028	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-44.1	177.1	-56.1	0	0	0	0	111.9	C603 M604 L609 L610 M611 A652 A655	C603-S607 PolarHBondContact O-N 3.33Å; C603-S607 VanDerWaalsContact O-N 3.14Å; C603-S607 PolarHBondContact O-OG 3.45Å; M604-S607 PolarHBondContact O-N 3.48Å; S607-L609 VanDerWaalsContact C-N 3.33Å; S607-L609 PolarHBondContact O-N 2.69Å; S607-L610 PolarHBondContact O-N 3Å; S607-M611 PolarHBondContact O-N 3.43Å; S607-A652 WeakPolarHBondContact O-CB 3.13Å; S607-A655 VanDerWaalsContact OG-CB 3.3Å; S607-A655 WeakPolarHBondContact OG-CB 3.45Å
608	N	90.8	Very high	89.4	Confident	6 Å²	6	25.4 Å²	25.4	3%	0.032	14%	0.142	C	C	.	.	H	α-helix	trans	-66.3	-33.2	176.8	-65.8	-26.9	0	0	0	112.6	M604 A606 M611 G612 S656 A823 N826	M604-N608 WeakPolarHBondContact O-CB 3.35Å; M604-N608 PolarHBondContact O-N 3.33Å; M604-N608 PolarHBondContact O-ND2 2.99Å; M604-N608 VanDerWaalsContact O-ND2 3.13Å; A606-N608 PolarHBondContact O-N 3.01Å; N608-M611 PolarHBondContact O-N 3.28Å; N608-G612 PolarHBondContact O-N 3.42Å; N608-S656 PolarHBondContact OD1-OG 3.18Å; N608-A823 HydrophobicContact CB-CB 3.79Å; N608-N826 WeakPolarHBondContact ND2-CB 3.41Å; N608-N826 PolarHBondContact ND2-ND2 2.99Å
609	L	92.5	Very high	90.1	Very high	53 Å²	53	21.5 Å²	21.5	28%	0.277	13%	0.13	S	C	.	.	H	α-helix	trans	-67.2	-41.1	173.7	-173.6	69.3	0	0	0	111.6	L577 N580 F584 G605 A606 S607 G612 V613	L577-L609 HydrophobicContact CD2-CD1 3.92Å; N580-L609 HydrophobicContact CB-CB 4.13Å; N580-L609 HydrophobicContact CB-CD1 4.19Å; F584-L609 HydrophobicContact CD2-CD2 4.49Å; F584-L609 HydrophobicContact CE2-CD2 4.32Å; G605-L609 VanDerWaalsContact O-CB 3.31Å; G605-L609 WeakPolarHBondContact O-CB 3.43Å; G605-L609 PolarHBondContact O-N 2.95Å; A606-L609 WeakPolarHBondContact O-CB 3.35Å; A606-L609 PolarHBondContact O-N 2.78Å; S607-L609 VanDerWaalsContact C-N 3.33Å; S607-L609 PolarHBondContact O-N 2.69Å; L609-G612 WeakPolarHBondContact O-CA 3.31Å; L609-G612 PolarHBondContact O-N 3.15Å; L609-G612 VanDerWaalsContact O-N 3.12Å; L609-V613 PolarHBondContact O-N 3.01Å
610	L	93.6	Very high	90.5	Very high	65 Å²	65	24.8 Å²	24.8	34%	0.34	15%	0.148	S	C	.	.	H	α-helix	trans	-63	-40.4	174.7	-70.1	171.6	0	0	0	112	A606 S607 G612 V613 C614 V648 F651 A652	A606-L610 WeakPolarHBondContact O-CG 3.26Å; A606-L610 PolarHBondContact O-N 2.97Å; S607-L610 PolarHBondContact O-N 3Å; L610-G612 VanDerWaalsContact C-N 3.28Å; L610-G612 PolarHBondContact O-N 3.29Å; L610-V613 WeakPolarHBondContact O-CB 3.28Å; L610-V613 PolarHBondContact O-N 3.05Å; L610-C614 PolarHBondContact O-N 3.49Å; L610-V648 HydrophobicContact CB-CG1 4.01Å; L610-V648 HydrophobicContact CD2-CG1 4.2Å; L610-F651 HydrophobicContact CD1-CD1 4.03Å; L610-F651 HydrophobicContact CD1-CE1 3.9Å; L610-A652 HydrophobicContact CB-CB 3.99Å
611	M	92.1	Very high	91	Very high	10 Å²	10	25.7 Å²	25.7	5%	0.049	15%	0.154	C	C	.	.	H	α-helix	trans	-60.9	-36.9	171.3	-173.5	58.3	67.3	0	0	112	S607 N608 V613 C614 T615 W649 A652 P820 A823	S607-M611 PolarHBondContact O-N 3.43Å; N608-M611 PolarHBondContact O-N 3.28Å; M611-V613 VanDerWaalsContact C-N 3.3Å; M611-V613 PolarHBondContact O-N 2.93Å; M611-C614 PolarHBondContact O-N 3.34Å; M611-T615 WeakPolarHBondContact O-CG2 3.21Å; M611-T615 PolarHBondContact O-N 3.37Å; M611-T615 PolarHBondContact O-OG1 3.43Å; M611-W649 HydrophobicContact CE-CD2 4.1Å; M611-W649 HydrophobicContact CE-CG 4.02Å; M611-W649 WeakPolarHBondContact CE-O 3.37Å; M611-W649 HydrophobicContact SD-CD2 3.72Å; M611-W649 HydrophobicContact SD-CE3 4.02Å; M611-W649 HydrophobicContact SD-CG 4.23Å; M611-W649 HydrophobicContact SD-CH2 4.18Å; M611-W649 HydrophobicContact SD-CZ2 3.92Å; M611-W649 HydrophobicContact SD-CZ3 4.23Å; M611-A652 HydrophobicContact CB-CB 4.24Å; M611-A652 HydrophobicContact CE-CB 4.03Å; M611-P820 HydrophobicContact CG-CB 3.87Å; M611-P820 HydrophobicContact SD-CB 4.03Å; M611-A823 HydrophobicContact CB-CB 4.1Å; M611-A823 HydrophobicContact CG-CB 4.1Å
612	G	92.9	Very high	91.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-33.4	171.5	0	0	0	0	0	113.9	S573 S576 N608 L609 L610 T615 C616	S573-G612 PolarHBondContact OG-O 3.35Å; S573-G612 VanDerWaalsContact OG-O 3.05Å; S576-G612 WeakPolarHBondContact OG-CA 3.12Å; N608-G612 PolarHBondContact O-N 3.42Å; L609-G612 WeakPolarHBondContact O-CA 3.31Å; L609-G612 PolarHBondContact O-N 3.15Å; L609-G612 VanDerWaalsContact O-N 3.12Å; L610-G612 VanDerWaalsContact C-N 3.28Å; L610-G612 PolarHBondContact O-N 3.29Å; G612-T615 WeakPolarHBondContact CA-OG1 3.37Å; G612-T615 PolarHBondContact O-OG1 3.17Å; G612-T615 VanDerWaalsContact O-OG1 3.1Å; G612-C616 WeakPolarHBondContact O-CB 3.29Å; G612-C616 PolarHBondContact O-N 3.42Å; G612-C616 VanDerWaalsContact O-N 3.1Å
613	V	93.6	Very high	91.7	Very high	70 Å²	70	27.4 Å²	27.4	42%	0.424	17%	0.169	S	C	.	.	H	α-helix	trans	-71.5	-45.4	173.6	176.8	0	0	0	0	111.5	L577 L609 L610 M611 T615 C616 T617	L577-V613 HydrophobicContact CD2-CG2 3.91Å; L609-V613 PolarHBondContact O-N 3.01Å; L610-V613 WeakPolarHBondContact O-CB 3.28Å; L610-V613 PolarHBondContact O-N 3.05Å; M611-V613 VanDerWaalsContact C-N 3.3Å; M611-V613 PolarHBondContact O-N 2.93Å; V613-T615 PolarHBondContact O-N 3.05Å; V613-C616 CarbonylContact O-C 3.6Å; V613-C616 WeakPolarHBondContact O-CA 3.41Å; V613-C616 VanDerWaalsContact O-CB 3.24Å; V613-C616 WeakPolarHBondContact O-CB 3.37Å; V613-C616 PolarHBondContact O-N 3.05Å; V613-C616 VanDerWaalsContact O-N 3.07Å; V613-T617 PolarHBondContact O-N 3.18Å
614	C	93.1	Very high	91.9	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.027	19%	0.194	C	C	.	.	H	α-helix	trans	-66.6	-35.8	178.6	-60.7	0	0	0	0	113.2	L610 M611 C616 T617 L618 T645 V648 W649	L610-C614 PolarHBondContact O-N 3.49Å; M611-C614 PolarHBondContact O-N 3.34Å; C614-C616 VanDerWaalsContact C-N 3.29Å; C614-T617 PolarHBondContact O-N 2.62Å; C614-T617 PolarHBondContact O-OG1 3.44Å; C614-L618 PolarHBondContact O-N 3.33Å; C614-T645 HydrophobicContact CB-CG2 4.19Å; C614-V648 VanDerWaalsContact SG-CB 3.52Å; C614-V648 WeakPolarHBondContact SG-CG1 3.45Å; C614-W649 HydrophobicContact CB-CB 4.48Å; C614-W649 HydrophobicContact CB-CE3 3.67Å; C614-W649 HydrophobicContact CB-CZ3 4.34Å
615	T	92.6	Very high	92	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.2	-31.1	171.4	51.8	0	0	0	0	111.7	L569 I572 M611 G612 V613 V619 W649 P820	L569-T615 HydrophobicContact CD1-CG2 3.64Å; I572-T615 HydrophobicContact CG2-CG2 4.25Å; M611-T615 WeakPolarHBondContact O-CG2 3.21Å; M611-T615 PolarHBondContact O-N 3.37Å; M611-T615 PolarHBondContact O-OG1 3.43Å; G612-T615 WeakPolarHBondContact CA-OG1 3.37Å; G612-T615 PolarHBondContact O-OG1 3.17Å; G612-T615 VanDerWaalsContact O-OG1 3.1Å; V613-T615 PolarHBondContact O-N 3.05Å; T615-V619 WeakPolarHBondContact O-CB 3.21Å; T615-V619 VanDerWaalsContact O-CG2 3.28Å; T615-V619 WeakPolarHBondContact O-CG2 3.41Å; T615-V619 PolarHBondContact O-N 3.19Å; T615-W649 HydrophobicContact CG2-CH2 3.86Å; T615-W649 HydrophobicContact CG2-CZ3 3.77Å; T615-P820 HydrophobicContact CG2-CB 3.7Å; T615-P820 HydrophobicContact CG2-CG 4.03Å
616	C	93.1	Very high	92	Very high	51 Å²	51	37.5 Å²	37.5	35%	0.345	22%	0.221	S	C	.	.	H	α-helix	trans	-67.1	-41.6	172	-164.7	0	0	0	0	112.5	S573 L577 G612 V613 C614 V619 L620	S573-C616 WeakPolarHBondContact OG-CA 3.15Å; S573-C616 VanDerWaalsContact OG-CB 3.24Å; S573-C616 WeakPolarHBondContact OG-CB 3.47Å; S573-C616 PolarHBondContact OG-N 2.85Å; L577-C616 HydrophobicContact CD1-CB 4.26Å; G612-C616 WeakPolarHBondContact O-CB 3.29Å; G612-C616 PolarHBondContact O-N 3.42Å; G612-C616 VanDerWaalsContact O-N 3.1Å; V613-C616 CarbonylContact O-C 3.6Å; V613-C616 WeakPolarHBondContact O-CA 3.41Å; V613-C616 VanDerWaalsContact O-CB 3.24Å; V613-C616 WeakPolarHBondContact O-CB 3.37Å; V613-C616 PolarHBondContact O-N 3.05Å; V613-C616 VanDerWaalsContact O-N 3.07Å; C614-C616 VanDerWaalsContact C-N 3.29Å; C616-V619 PolarHBondContact O-N 2.78Å; C616-L620 WeakPolarHBondContact O-CB 3.28Å; C616-L620 PolarHBondContact O-N 3.01Å
617	T	93.3	Very high	91.6	Very high	45 Å²	45	37.9 Å²	37.9	28%	0.276	23%	0.229	S	C	.	.	H	α-helix	trans	-66.1	-43	179.6	55.2	0	0	0	0	112	V613 C614 V619 L620 V621 T645	V613-T617 PolarHBondContact O-N 3.18Å; C614-T617 PolarHBondContact O-N 2.62Å; C614-T617 PolarHBondContact O-OG1 3.44Å; T617-V619 VanDerWaalsContact C-N 3.33Å; T617-V619 PolarHBondContact O-N 2.03Å; T617-L620 PolarHBondContact O-N 3.45Å; T617-V621 WeakPolarHBondContact O-CG2 3.45Å; T617-V621 PolarHBondContact O-N 2.72Å; T617-T645 WeakPolarHBondContact OG1-CG2 3.39Å
618	L	92.3	Very high	91.4	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-39.5	174.3	-66.1	-179.8	0	0	0	112.4	L559 L569 C614 V621 D622 W636 T645 W649 L816	L559-L618 HydrophobicContact CD2-CD2 4.41Å; L569-L618 HydrophobicContact CD2-CB 4.35Å; C614-L618 PolarHBondContact O-N 3.33Å; L618-V621 PolarHBondContact O-N 3.23Å; L618-D622 WeakPolarHBondContact O-CB 3.49Å; L618-D622 PolarHBondContact O-N 3.12Å; L618-W636 HydrophobicContact CD2-CZ2 4.21Å; L618-T645 HydrophobicContact CD2-CG2 4.38Å; L618-T645 HydrophobicContact CG-CG2 4.44Å; L618-W649 HydrophobicContact CD1-CE3 4.45Å; L618-W649 HydrophobicContact CD1-CZ3 3.83Å; L618-L816 HydrophobicContact CD1-CD2 4.29Å
619	V	92.4	Very high	91.3	Very high	20 Å²	20	43.8 Å²	43.8	12%	0.121	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-41.6	174.4	161.9	0	0	0	0	112	L569 W570 T615 C616 T617 A623	L569-V619 HydrophobicContact CB-CG2 4.05Å; L569-V619 HydrophobicContact CD2-CG2 3.75Å; L569-V619 HydrophobicContact CG-CG2 3.67Å; W570-V619 VanDerWaalsContact CD1-CG1 3.48Å; W570-V619 HydrophobicContact CD2-CG1 4.45Å; W570-V619 HydrophobicContact CG-CG1 4.1Å; W570-V619 HydrophobicContact CG-CG2 4.48Å; T615-V619 WeakPolarHBondContact O-CB 3.21Å; T615-V619 VanDerWaalsContact O-CG2 3.28Å; T615-V619 WeakPolarHBondContact O-CG2 3.41Å; T615-V619 PolarHBondContact O-N 3.19Å; C616-V619 PolarHBondContact O-N 2.78Å; T617-V619 VanDerWaalsContact C-N 3.33Å; T617-V619 PolarHBondContact O-N 2.03Å; V619-A623 VanDerWaalsContact O-CB 3.29Å; V619-A623 WeakPolarHBondContact O-CB 3.46Å; V619-A623 PolarHBondContact O-N 3.13Å
620	L	92.6	Very high	91	Very high	100 Å²	100	43.1 Å²	43.1	52%	0.524	25%	0.252	S	S	.	.	H	α-helix	trans	-66.8	-40.1	178.2	-178.2	60.7	0	0	0	111.6	C616 T617 A623 L624	C616-L620 WeakPolarHBondContact O-CB 3.28Å; C616-L620 PolarHBondContact O-N 3.01Å; T617-L620 PolarHBondContact O-N 3.45Å; L620-A623 PolarHBondContact O-N 2.86Å; L620-L624 HydrophobicContact CD1-CD1 3.93Å; L620-L624 HydrophobicContact CD1-CG 4.12Å; L620-L624 HydrophobicContact CG-CD1 3.88Å; L620-L624 HydrophobicContact CG-CG 4.45Å; L620-L624 WeakPolarHBondContact O-CB 3.01Å; L620-L624 VanDerWaalsContact O-CG 3.23Å; L620-L624 WeakPolarHBondContact O-CG 3.02Å; L620-L624 PolarHBondContact O-N 3.02Å
621	V	92.4	Very high	90.6	Very high	22 Å²	22	44.2 Å²	44.2	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-64.1	-49.6	175.6	172.7	0	0	0	0	110.8	L559 T617 L618 A623 L624 T625 F629 W636	L559-V621 HydrophobicContact CD2-CB 4.2Å; L559-V621 HydrophobicContact CD2-CG1 3.9Å; T617-V621 WeakPolarHBondContact O-CG2 3.45Å; T617-V621 PolarHBondContact O-N 2.72Å; L618-V621 PolarHBondContact O-N 3.23Å; V621-A623 VanDerWaalsContact C-N 3.25Å; V621-A623 PolarHBondContact O-N 3.38Å; V621-L624 PolarHBondContact O-N 2.97Å; V621-L624 VanDerWaalsContact O-N 3.15Å; V621-T625 HydrophobicContact CG1-CG2 4.47Å; V621-T625 WeakPolarHBondContact O-CB 3.23Å; V621-T625 PolarHBondContact O-N 2.76Å; V621-T625 PolarHBondContact O-OG1 3.41Å; V621-F629 HydrophobicContact CG1-CE2 4.45Å; V621-W636 HydrophobicContact CG1-CD2 4.26Å; V621-W636 HydrophobicContact CG1-CG 4.41Å; V621-W636 HydrophobicContact CG2-CD2 4.25Å; V621-W636 HydrophobicContact CG2-CE3 4.03Å; V621-W636 HydrophobicContact CG2-CH2 3.87Å; V621-W636 HydrophobicContact CG2-CZ2 4.07Å; V621-W636 HydrophobicContact CG2-CZ3 3.84Å
622	D	92.3	Very high	90.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-33.6	177.6	179.9	78.2	0	0	0	112.8	L559 L560 R566 L618 L626	L559-D622 HydrophobicContact CB-CB 4.1Å; L559-D622 HydrophobicContact CD2-CB 4.36Å; L559-D622 PolarHBondContact N-OD1 2.89Å; L560-D622 WeakPolarHBondContact CB-OD1 3.01Å; L560-D622 HydrophobicContact CD1-CB 3.83Å; L560-D622 HydrophobicContact CG-CB 3.81Å; L560-D622 PolarHBondContact N-OD1 3.49Å; R566-D622 IonicContact CZ-OD1 3.76Å; R566-D622 IonicContact CZ-OD2 3.9Å; R566-D622 IonicContact NE-OD1 3.52Å; R566-D622 IonicContact NE-OD2 3.33Å; R566-D622 PolarHBondContact NE-OD2 2.85Å; R566-D622 IonicContact NH2-OD1 3.07Å; R566-D622 PolarHBondContact NH2-OD1 2.91Å; R566-D622 IonicContact NH2-OD2 3.4Å; R566-D622 PolarHBondContact NH2-OD2 3.09Å; L618-D622 WeakPolarHBondContact O-CB 3.49Å; L618-D622 PolarHBondContact O-N 3.12Å; D622-L626 WeakPolarHBondContact O-CB 3.49Å; D622-L626 PolarHBondContact O-N 2.96Å
623	A	90.6	Very high	90.3	Very high	52 Å²	52	47.6 Å²	47.6	43%	0.43	27%	0.274	S	S	.	.	H	α-helix	trans	-76.8	-29.6	176.2	0	0	0	0	0	113.8	V619 L620 V621	V619-A623 VanDerWaalsContact O-CB 3.29Å; V619-A623 WeakPolarHBondContact O-CB 3.46Å; V619-A623 PolarHBondContact O-N 3.13Å; L620-A623 PolarHBondContact O-N 2.86Å; V621-A623 VanDerWaalsContact C-N 3.25Å; V621-A623 PolarHBondContact O-N 3.38Å
624	L	90.9	Very high	90	Very high	132 Å²	132	44.3 Å²	44.3	69%	0.691	26%	0.255	S	S	*	.	H	α-helix	trans	-83.7	-21.1	177.4	-73	172.2	0	0	0	113.5	L620 V621	L620-L624 HydrophobicContact CD1-CD1 3.93Å; L620-L624 HydrophobicContact CD1-CG 4.12Å; L620-L624 HydrophobicContact CG-CD1 3.88Å; L620-L624 HydrophobicContact CG-CG 4.45Å; L620-L624 WeakPolarHBondContact O-CB 3.01Å; L620-L624 VanDerWaalsContact O-CG 3.23Å; L620-L624 WeakPolarHBondContact O-CG 3.02Å; L620-L624 PolarHBondContact O-N 3.02Å; V621-L624 PolarHBondContact O-N 2.97Å; V621-L624 VanDerWaalsContact O-N 3.15Å
625	T	90.4	Very high	89.9	Confident	15 Å²	15	50 Å²	50	9%	0.092	28%	0.275	C	S	.	.	S	Bend	trans	-115.3	24	-175.8	59.8	0	0	0	0	112.6	V621 G627 E628 F629 H632	V621-T625 HydrophobicContact CG1-CG2 4.47Å; V621-T625 WeakPolarHBondContact O-CB 3.23Å; V621-T625 PolarHBondContact O-N 2.76Å; V621-T625 PolarHBondContact O-OG1 3.41Å; T625-G627 PolarHBondContact O-N 3.36Å; T625-E628 PolarHBondContact O-N 3.27Å; T625-F629 HydrophobicContact CG2-CD2 4.35Å; T625-F629 PolarHBondContact O-N 3.34Å; T625-F629 WeakPolarHBondContact OG1-CD2 3.47Å; T625-H632 HydrophobicContact CG2-CB 3.75Å
626	L	87.5	Confident	89.8	Confident	98 Å²	98	51.9 Å²	51.9	51%	0.513	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	98	-168.6	-173.5	67.5	0	0	0	112.6	D622	D622-L626 WeakPolarHBondContact O-CB 3.49Å; D622-L626 PolarHBondContact O-N 2.96Å
627	G	82.9	Confident	89.6	Confident	48 Å²	48	49.4 Å²	49.4	50%	0.495	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.5	-10.4	-179.8	0	0	0	0	0	114	D557 T625	D557-G627 CarbonylContact O-C 3.49Å; D557-G627 VanDerWaalsContact O-C 3.24Å; D557-G627 WeakPolarHBondContact O-CA 3.35Å; D557-G627 PolarHBondContact O-N 3.32Å; T625-G627 PolarHBondContact O-N 3.36Å
628	E	87.6	Confident	89.1	Confident	133 Å²	133	48.2 Å²	48.2	62%	0.621	26%	0.263	S	S	*	.			trans	-132.7	28.7	-174.7	-62.9	176	165.2	0	0	110.4	D557 T625 N630 D631 H632	D557-E628 PolarHBondContact O-N 3.31Å; T625-E628 PolarHBondContact O-N 3.27Å; E628-N630 VanDerWaalsContact C-N 3.26Å; E628-N630 PolarHBondContact O-N 3.1Å; E628-D631 PolarHBondContact O-N 3.15Å; E628-H632 PolarHBondContact O-CD2 2.78Å
629	F	88.6	Confident	88.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.6	-175.2	-179.9	-104.7	0	0	0	113.4	Y480 P555 C556 D557 L559 V621 T625 D631 H632 G633 P715	Y480-F629 HydrophobicContact CD1-CD1 4.5Å; Y480-F629 HydrophobicContact CD1-CE1 4.12Å; Y480-F629 HydrophobicContact CE1-CD1 4.45Å; Y480-F629 AromaticContact CE1-CE1 3.7Å; Y480-F629 HydrophobicContact CE1-CE1 3.7Å; Y480-F629 HydrophobicContact CE1-CZ 4.49Å; P555-F629 HydrophobicContact CG-CD1 4.28Å; P555-F629 HydrophobicContact CG-CE1 4.3Å; P555-F629 WeakPolarHBondContact O-CD1 3.46Å; C556-F629 CarbonylContact O-C 3.26Å; C556-F629 WeakPolarHBondContact O-CB 3.36Å; D557-F629 PolarHBondContact O-N 3.3Å; L559-F629 HydrophobicContact CB-CD2 4.17Å; L559-F629 HydrophobicContact CB-CE2 4.07Å; L559-F629 HydrophobicContact CB-CG 4.46Å; L559-F629 HydrophobicContact CB-CZ 4.27Å; L559-F629 HydrophobicContact CD1-CE1 4.35Å; L559-F629 HydrophobicContact CD1-CE2 4.28Å; L559-F629 HydrophobicContact CD1-CZ 3.86Å; V621-F629 HydrophobicContact CG1-CE2 4.45Å; T625-F629 HydrophobicContact CG2-CD2 4.35Å; T625-F629 PolarHBondContact O-N 3.34Å; T625-F629 WeakPolarHBondContact OG1-CD2 3.47Å; F629-D631 VanDerWaalsContact C-N 3.33Å; F629-D631 PolarHBondContact O-N 3.03Å; F629-H632 CarbonylContact O-C 3.58Å; F629-H632 PolarHBondContact O-N 3.35Å; F629-G633 WeakPolarHBondContact O-CA 3.31Å; F629-G633 PolarHBondContact O-N 3.45Å; F629-P715 HydrophobicContact CE1-CB 4.3Å; F629-P715 HydrophobicContact CE1-CG 4.47Å; F629-P715 HydrophobicContact CZ-CB 3.76Å; F629-P715 HydrophobicContact CZ-CG 4.39Å
630	N	86.7	Confident	88.7	Confident	39 Å²	39	52.7 Å²	52.7	21%	0.209	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-43	175.5	58.2	-62.2	0	0	0	112.7	Y480 C483 C556 E628 H632	Y480-N630 WeakPolarHBondContact CB-O 3.43Å; C483-N630 HydrophobicContact CB-CB 4.02Å; C556-N630 PolarHBondContact O-N 3.11Å; E628-N630 VanDerWaalsContact C-N 3.26Å; E628-N630 PolarHBondContact O-N 3.1Å; N630-H632 VanDerWaalsContact C-N 3.26Å; N630-H632 PolarHBondContact O-N 2.97Å
631	D	85.8	Confident	88.6	Confident	89 Å²	89	49.5 Å²	49.5	48%	0.476	29%	0.285	S	S	.	.	H	α-helix	trans	-77.2	-13.9	-177	-67.1	-12.6	0	0	0	113	E628 F629	E628-D631 PolarHBondContact O-N 3.15Å; F629-D631 VanDerWaalsContact C-N 3.33Å; F629-D631 PolarHBondContact O-N 3.03Å
632	H	89.4	Confident	88.5	Confident	80 Å²	80	48.5 Å²	48.5	37%	0.37	28%	0.279	S	S	.	.	H	α-helix	trans	-110.4	-22.4	-179.2	-68.9	-64.2	0	0	0	113.7	T625 E628 F629 N630 A634 R635 W636	T625-H632 HydrophobicContact CG2-CB 3.75Å; E628-H632 PolarHBondContact O-CD2 2.78Å; F629-H632 CarbonylContact O-C 3.58Å; F629-H632 PolarHBondContact O-N 3.35Å; N630-H632 VanDerWaalsContact C-N 3.26Å; N630-H632 PolarHBondContact O-N 2.97Å; H632-A634 PolarHBondContact O-N 3.03Å; H632-R635 PolarHBondContact O-N 3.13Å; H632-W636 WeakPolarHBondContact O-CB 3.24Å; H632-W636 PolarHBondContact O-N 3.06Å
633	G	88.3	Confident	88.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-42.4	-169.7	0	0	0	0	0	113.7	Y480 F629 W636 E637	Y480-G633 VanDerWaalsContact CD2-C 3.41Å; Y480-G633 VanDerWaalsContact CE2-C 3.44Å; F629-G633 WeakPolarHBondContact O-CA 3.31Å; F629-G633 PolarHBondContact O-N 3.45Å; G633-W636 PolarHBondContact O-N 2.97Å; G633-E637 WeakPolarHBondContact O-CB 3.2Å; G633-E637 PolarHBondContact O-N 3.44Å
634	A	88.1	Confident	88.4	Confident	2 Å²	2	52.2 Å²	52.2	2%	0.017	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-48.4	177.5	0	0	0	0	0	111.7	Y460 Y478 Y480 H632 W636 E637 G638	Y460-A634 HydrophobicContact CD1-CB 4.15Å; Y478-A634 HydrophobicContact CD1-CB 4.34Å; Y478-A634 HydrophobicContact CD2-CB 3.65Å; Y478-A634 HydrophobicContact CE2-CB 4.18Å; Y478-A634 HydrophobicContact CG-CB 3.75Å; Y480-A634 HydrophobicContact CD2-CB 4.13Å; H632-A634 PolarHBondContact O-N 3.03Å; A634-W636 PolarHBondContact O-N 2.92Å; A634-E637 PolarHBondContact O-N 3.25Å; A634-G638 PolarHBondContact O-N 2.86Å
635	R	89.8	Confident	88.5	Confident	122 Å²	122	46.5 Å²	46.5	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-28	177.1	-64.6	-177.4	178	146.1	-10.5	112.6	Y460 E461 H632 G639	Y460-R635 HydrophobicContact CD1-CG 4.42Å; Y460-R635 HydrophobicContact CD2-CG 4.46Å; Y460-R635 HydrophobicContact CG-CG 3.92Å; E461-R635 IonicContact OE1-CZ 3.76Å; E461-R635 IonicContact OE1-NH2 3.71Å; E461-R635 PolarHBondContact OE1-NH2 3.47Å; H632-R635 PolarHBondContact O-N 3.13Å; R635-G639 WeakPolarHBondContact O-CA 3.34Å; R635-G639 PolarHBondContact O-N 3.24Å
636	W	90.8	Very high	88.6	Confident	40 Å²	40	45.9 Å²	45.9	15%	0.152	26%	0.263	C	S	.	.	H	α-helix	trans	-77.5	-53.9	173.3	174.1	-109	0	0	0	111.8	L618 V621 H632 G633 A634 G638 G639 C642 P715	L618-W636 HydrophobicContact CD2-CZ2 4.21Å; V621-W636 HydrophobicContact CG1-CD2 4.26Å; V621-W636 HydrophobicContact CG1-CG 4.41Å; V621-W636 HydrophobicContact CG2-CD2 4.25Å; V621-W636 HydrophobicContact CG2-CE3 4.03Å; V621-W636 HydrophobicContact CG2-CH2 3.87Å; V621-W636 HydrophobicContact CG2-CZ2 4.07Å; V621-W636 HydrophobicContact CG2-CZ3 3.84Å; H632-W636 WeakPolarHBondContact O-CB 3.24Å; H632-W636 PolarHBondContact O-N 3.06Å; G633-W636 PolarHBondContact O-N 2.97Å; A634-W636 PolarHBondContact O-N 2.92Å; W636-G638 PolarHBondContact O-N 3.41Å; W636-G639 PolarHBondContact O-N 2.76Å; W636-C642 HydrophobicContact CD2-CB 4.22Å; W636-C642 HydrophobicContact CZ2-CB 4.12Å; W636-C642 WeakPolarHBondContact O-CB 3.39Å; W636-P715 PolarHBondContact NE1-O 2.9Å
637	E	88.4	Confident	88.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-44.6	-175.8	-179.2	169.6	-171.4	0	0	112.4	Y478 Y480 R554 G633 A634 G639 G712 S714	Y478-E637 HydrophobicContact CE1-CB 4.46Å; Y478-E637 HydrophobicContact CE1-CG 4.4Å; Y480-E637 HydrophobicContact CE2-CB 4.36Å; Y480-E637 WeakPolarHBondContact CE2-OE2 3.37Å; Y480-E637 VanDerWaalsContact CZ-OE2 3.25Å; Y480-E637 PolarHBondContact OH-OE2 3.03Å; R554-E637 IonicContact CZ-OE1 2.78Å; R554-E637 IonicContact CZ-OE2 2.78Å; R554-E637 IonicContact NE-OE1 3.83Å; R554-E637 PolarHBondContact NE-OE1 3.32Å; R554-E637 IonicContact NE-OE2 3.98Å; R554-E637 PolarHBondContact NE-OE2 3.08Å; R554-E637 IonicContact NH2-OE1 3.18Å; R554-E637 PolarHBondContact NH2-OE1 2.98Å; R554-E637 IonicContact NH2-OE2 2.71Å; G633-E637 WeakPolarHBondContact O-CB 3.2Å; G633-E637 PolarHBondContact O-N 3.44Å; A634-E637 PolarHBondContact O-N 3.25Å; E637-G639 VanDerWaalsContact C-N 3.31Å; E637-G712 WeakPolarHBondContact CG-O 3.3Å; E637-G712 VanDerWaalsContact O-CA 3.23Å; E637-G712 WeakPolarHBondContact O-CA 3.47Å; E637-S714 VanDerWaalsContact OE1-CA 3.3Å; E637-S714 WeakPolarHBondContact OE1-CA 3.24Å; E637-S714 PolarHBondContact OE1-N 3.21Å; E637-S714 VanDerWaalsContact OE1-N 3.14Å
638	G	83.5	Confident	89.3	Confident	20 Å²	20	43.8 Å²	43.8	21%	0.206	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-15.3	173.2	0	0	0	0	0	114.6	A634 W636	A634-G638 PolarHBondContact O-N 2.86Å; W636-G638 PolarHBondContact O-N 3.41Å
639	G	87.3	Confident	89.6	Confident	9 Å²	9	37.6 Å²	37.6	9%	0.093	21%	0.208	C	C	.	.	S	Bend	trans	-78.9	154.2	-167.3	0	0	0	0	0	115.2	R635 W636 E637 G641 C642 Q643	R635-G639 WeakPolarHBondContact O-CA 3.34Å; R635-G639 PolarHBondContact O-N 3.24Å; W636-G639 PolarHBondContact O-N 2.76Å; E637-G639 VanDerWaalsContact C-N 3.31Å; G639-G641 PolarHBondContact O-N 3.26Å; G639-G641 VanDerWaalsContact O-N 3.14Å; G639-C642 PolarHBondContact O-N 2.95Å; G639-Q643 PolarHBondContact O-N 3.14Å
640	P	88.4	Confident	89.7	Confident	104 Å²	104	37.7 Å²	37.7	68%	0.675	21%	0.209	S	C	*	.	H	α-helix	trans	-63.2	-22.8	179.6	26.2	-35.2	0	0	0	113.2	C642 A644	P640-C642 VanDerWaalsContact C-N 3.34Å; P640-A644 VanDerWaalsContact O-CB 3.27Å; P640-A644 WeakPolarHBondContact O-CB 3.44Å; P640-A644 PolarHBondContact O-N 2.91Å
641	G	90.6	Very high	90.1	Very high	34 Å²	34	37.3 Å²	37.3	35%	0.351	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-36.7	173.5	0	0	0	0	0	113.1	G639 T645	G639-G641 PolarHBondContact O-N 3.26Å; G639-G641 VanDerWaalsContact O-N 3.14Å; G641-T645 WeakPolarHBondContact O-CB 3.39Å; G641-T645 PolarHBondContact O-N 3.01Å; G641-T645 VanDerWaalsContact O-N 3.08Å; G641-T645 PolarHBondContact O-OG1 2.99Å
642	C	90.5	Very high	90.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-75.1	-45.4	175.5	-173	0	0	0	0	110.9	W636 G639 P640 A644 T645 G646 C717	W636-C642 HydrophobicContact CD2-CB 4.22Å; W636-C642 HydrophobicContact CZ2-CB 4.12Å; W636-C642 WeakPolarHBondContact O-CB 3.39Å; G639-C642 PolarHBondContact O-N 2.95Å; P640-C642 VanDerWaalsContact C-N 3.34Å; C642-A644 VanDerWaalsContact C-N 3.31Å; C642-A644 PolarHBondContact O-N 3.05Å; C642-T645 PolarHBondContact O-N 3.1Å; C642-T645 VanDerWaalsContact O-N 3.09Å; C642-G646 PolarHBondContact O-N 2.92Å; C642-C717 WeakPolarHBondContact CA-SG 3.37Å; C642-C717 HydrophobicContact CB-CB 4.18Å; C642-C717 WeakPolarHBondContact CB-SG 3.06Å; C642-C717 VanDerWaalsContact O-CB 3.24Å; C642-C717 WeakPolarHBondContact O-CB 3.42Å; C642-C717 WeakPolarHBondContact SG-CA 3.41Å; C642-C717 WeakPolarHBondContact SG-CB 3.5Å; C642-C717 CovalentContact SG-SG 2.03Å; C642-C717 PolarHBondContact SG-SG 3.1Å
643	Q	89.6	Confident	90.4	Very high	78 Å²	78	30.2 Å²	30.2	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-54.7	-45.4	174.5	-62.2	177.4	5.4	0	0	112.3	G639 G646 W647	G639-Q643 PolarHBondContact O-N 3.14Å; Q643-G646 PolarHBondContact O-N 3.48Å; Q643-W647 WeakPolarHBondContact O-CB 3.35Å; Q643-W647 PolarHBondContact O-N 2.92Å
644	A	92.1	Very high	90.6	Very high	54 Å²	54	30.5 Å²	30.5	45%	0.446	17%	0.173	S	C	.	.	H	α-helix	trans	-65.4	-41.5	175.6	0	0	0	0	0	112.6	P640 C642 W647 V648	P640-A644 VanDerWaalsContact O-CB 3.27Å; P640-A644 WeakPolarHBondContact O-CB 3.44Å; P640-A644 PolarHBondContact O-N 2.91Å; C642-A644 VanDerWaalsContact C-N 3.31Å; C642-A644 PolarHBondContact O-N 3.05Å; A644-W647 PolarHBondContact O-N 3.28Å; A644-V648 WeakPolarHBondContact O-CG2 3.32Å; A644-V648 PolarHBondContact O-N 3.07Å
645	T	92.9	Very high	90.8	Very high	12 Å²	12	30.4 Å²	30.4	7%	0.074	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-44.1	177.2	-60.7	0	0	0	0	111.2	C614 T617 L618 G641 C642 W649 C717	C614-T645 HydrophobicContact CB-CG2 4.19Å; T617-T645 WeakPolarHBondContact OG1-CG2 3.39Å; L618-T645 HydrophobicContact CD2-CG2 4.38Å; L618-T645 HydrophobicContact CG-CG2 4.44Å; G641-T645 WeakPolarHBondContact O-CB 3.39Å; G641-T645 PolarHBondContact O-N 3.01Å; G641-T645 VanDerWaalsContact O-N 3.08Å; G641-T645 PolarHBondContact O-OG1 2.99Å; C642-T645 PolarHBondContact O-N 3.1Å; C642-T645 VanDerWaalsContact O-N 3.09Å; T645-W649 VanDerWaalsContact O-CB 3.28Å; T645-W649 WeakPolarHBondContact O-CB 3.35Å; T645-W649 PolarHBondContact O-N 3.46Å; T645-C717 HydrophobicContact CG2-CB 4.49Å
646	G	91.1	Very high	90.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-43.6	175.6	0	0	0	0	0	113.4	C642 Q643 W649 V650 Y711 C717	C642-G646 PolarHBondContact O-N 2.92Å; Q643-G646 PolarHBondContact O-N 3.48Å; G646-W649 PolarHBondContact O-N 2.88Å; G646-V650 WeakPolarHBondContact O-CG2 3.28Å; G646-V650 PolarHBondContact O-N 2.92Å; G646-Y711 VanDerWaalsContact C-CE1 3.41Å; G646-Y711 WeakPolarHBondContact O-CE1 3.32Å; G646-C717 WeakPolarHBondContact CA-O 3.48Å
647	W	93.1	Very high	90.7	Very high	70 Å²	70	24.8 Å²	24.8	27%	0.265	16%	0.157	S	C	.	.	H	α-helix	trans	-60.6	-49	176	-176.7	90.6	0	0	0	112.2	Q643 A644 W649 F651 L698 A701 L705 Y711	Q643-W647 WeakPolarHBondContact O-CB 3.35Å; Q643-W647 PolarHBondContact O-N 2.92Å; A644-W647 PolarHBondContact O-N 3.28Å; W647-W649 VanDerWaalsContact C-N 3.34Å; W647-W649 PolarHBondContact O-N 3.15Å; W647-F651 WeakPolarHBondContact O-CB 3.35Å; W647-F651 PolarHBondContact O-N 3.09Å; W647-L698 HydrophobicContact CH2-CD1 3.78Å; W647-L698 HydrophobicContact CZ2-CD1 3.57Å; W647-A701 HydrophobicContact CG-CB 4.44Å; W647-L705 HydrophobicContact CG-CD1 4.34Å; W647-Y711 HydrophobicContact CB-CE2 4.06Å
648	V	93.6	Very high	90.8	Very high	33 Å²	33	25.8 Å²	25.8	20%	0.2	16%	0.162	C	C	.	.	H	α-helix	trans	-66.9	-36.4	177.8	-178.8	0	0	0	0	111	L610 C614 A644 F651 A652	L610-V648 HydrophobicContact CB-CG1 4.01Å; L610-V648 HydrophobicContact CD2-CG1 4.2Å; C614-V648 VanDerWaalsContact SG-CB 3.52Å; C614-V648 WeakPolarHBondContact SG-CG1 3.45Å; A644-V648 WeakPolarHBondContact O-CG2 3.32Å; A644-V648 PolarHBondContact O-N 3.07Å; V648-F651 PolarHBondContact O-N 3.32Å; V648-A652 WeakPolarHBondContact O-CB 3.23Å; V648-A652 PolarHBondContact O-N 2.97Å
649	W	92.3	Very high	91.1	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-50.6	177.4	-171.1	-66.7	0	0	0	111.7	M611 C614 T615 L618 T645 G646 W647 A652 S653 L718 Q819 P820	M611-W649 HydrophobicContact CE-CD2 4.1Å; M611-W649 HydrophobicContact CE-CG 4.02Å; M611-W649 WeakPolarHBondContact CE-O 3.37Å; M611-W649 HydrophobicContact SD-CD2 3.72Å; M611-W649 HydrophobicContact SD-CE3 4.02Å; M611-W649 HydrophobicContact SD-CG 4.23Å; M611-W649 HydrophobicContact SD-CH2 4.18Å; M611-W649 HydrophobicContact SD-CZ2 3.92Å; M611-W649 HydrophobicContact SD-CZ3 4.23Å; C614-W649 HydrophobicContact CB-CB 4.48Å; C614-W649 HydrophobicContact CB-CE3 3.67Å; C614-W649 HydrophobicContact CB-CZ3 4.34Å; T615-W649 HydrophobicContact CG2-CH2 3.86Å; T615-W649 HydrophobicContact CG2-CZ3 3.77Å; L618-W649 HydrophobicContact CD1-CE3 4.45Å; L618-W649 HydrophobicContact CD1-CZ3 3.83Å; T645-W649 VanDerWaalsContact O-CB 3.28Å; T645-W649 WeakPolarHBondContact O-CB 3.35Å; T645-W649 PolarHBondContact O-N 3.46Å; G646-W649 PolarHBondContact O-N 2.88Å; W647-W649 VanDerWaalsContact C-N 3.34Å; W647-W649 PolarHBondContact O-N 3.15Å; W649-A652 PolarHBondContact O-N 2.9Å; W649-S653 PolarHBondContact O-N 2.69Å; W649-S653 PolarHBondContact O-OG 3Å; W649-L718 HydrophobicContact CB-CD2 4.47Å; W649-L718 HydrophobicContact CD2-CD2 3.53Å; W649-L718 VanDerWaalsContact CE2-CD2 3.5Å; W649-L718 HydrophobicContact CE3-CD2 4.11Å; W649-L718 HydrophobicContact CG-CD2 3.66Å; W649-L718 HydrophobicContact CZ2-CD2 4.1Å; W649-Q819 VanDerWaalsContact NE1-NE2 3.15Å; W649-P820 HydrophobicContact CH2-CB 4.37Å; W649-P820 HydrophobicContact CH2-CG 4.22Å; W649-P820 HydrophobicContact CZ2-CB 4.47Å; W649-P820 HydrophobicContact CZ2-CG 4.43Å
650	V	91.6	Very high	91	Very high	3 Å²	3	25 Å²	25	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-63.7	-47.3	177.3	173.9	0	0	0	0	110.4	G646 A652 S653 E654 A701 Y711 P719 L739	G646-V650 WeakPolarHBondContact O-CG2 3.28Å; G646-V650 PolarHBondContact O-N 2.92Å; V650-A652 VanDerWaalsContact C-N 3.25Å; V650-A652 PolarHBondContact O-N 3.4Å; V650-S653 PolarHBondContact O-N 3.33Å; V650-S653 PolarHBondContact O-OG 3.1Å; V650-S653 VanDerWaalsContact O-OG 3.1Å; V650-E654 HydrophobicContact CG1-CG 4Å; V650-E654 WeakPolarHBondContact O-CG 3.42Å; V650-E654 PolarHBondContact O-N 3.31Å; V650-A701 HydrophobicContact CB-CB 4.47Å; V650-A701 HydrophobicContact CG1-CB 4.23Å; V650-Y711 HydrophobicContact CG2-CE1 3.89Å; V650-P719 HydrophobicContact CG2-CG 3.97Å; V650-L739 HydrophobicContact CG1-CD1 4.25Å; V650-L739 HydrophobicContact CG1-CD2 4.4Å; V650-L739 HydrophobicContact CG2-CD1 4.49Å
651	F	94	Very high	91	Very high	30 Å²	30	20.7 Å²	20.7	13%	0.132	12%	0.123	C	C	.	.	H	α-helix	trans	-56	-42	176.5	176.4	-99.3	0	0	0	112.1	L610 W647 V648 A655 L694 C697 L698 A701	L610-F651 HydrophobicContact CD1-CD1 4.03Å; L610-F651 HydrophobicContact CD1-CE1 3.9Å; W647-F651 WeakPolarHBondContact O-CB 3.35Å; W647-F651 PolarHBondContact O-N 3.09Å; V648-F651 PolarHBondContact O-N 3.32Å; F651-A655 WeakPolarHBondContact O-CB 3.34Å; F651-A655 PolarHBondContact O-N 3.32Å; F651-A655 VanDerWaalsContact O-N 3.11Å; F651-L694 HydrophobicContact CZ-CD2 4.16Å; F651-C697 HydrophobicContact CD2-CB 3.82Å; F651-C697 HydrophobicContact CE2-CB 3.89Å; F651-L698 HydrophobicContact CD2-CB 4.48Å; F651-L698 HydrophobicContact CD2-CD1 4.24Å; F651-L698 HydrophobicContact CE2-CB 4.22Å; F651-L698 HydrophobicContact CE2-CD1 4.06Å; F651-A701 HydrophobicContact CB-CB 3.94Å
652	A	93.1	Very high	90.9	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	11%	0.112	C	C	.	.	H	α-helix	trans	-70.7	-39	179.6	0	0	0	0	0	113.4	S607 L610 M611 V648 W649 V650 S656	S607-A652 WeakPolarHBondContact O-CB 3.13Å; L610-A652 HydrophobicContact CB-CB 3.99Å; M611-A652 HydrophobicContact CB-CB 4.24Å; M611-A652 HydrophobicContact CE-CB 4.03Å; V648-A652 WeakPolarHBondContact O-CB 3.23Å; V648-A652 PolarHBondContact O-N 2.97Å; W649-A652 PolarHBondContact O-N 2.9Å; V650-A652 VanDerWaalsContact C-N 3.25Å; V650-A652 PolarHBondContact O-N 3.4Å; A652-S656 WeakPolarHBondContact O-CB 3.36Å; A652-S656 PolarHBondContact O-N 3.08Å
653	S	90.2	Very high	90.5	Very high	18 Å²	18	20.6 Å²	20.6	13%	0.126	12%	0.116	C	C	.	.	H	α-helix	trans	-67	-53.1	176.6	61.7	0	0	0	0	111.6	W649 V650 A655 S656 V657	W649-S653 PolarHBondContact O-N 2.69Å; W649-S653 PolarHBondContact O-OG 3Å; V650-S653 PolarHBondContact O-N 3.33Å; V650-S653 PolarHBondContact O-OG 3.1Å; V650-S653 VanDerWaalsContact O-OG 3.1Å; S653-A655 VanDerWaalsContact C-N 3.32Å; S653-A655 PolarHBondContact O-N 3.06Å; S653-S656 PolarHBondContact O-N 3.05Å; S653-S656 VanDerWaalsContact O-N 3.12Å; S653-V657 PolarHBondContact O-N 3.32Å; S653-V657 VanDerWaalsContact O-N 3.1Å
654	E	91.2	Very high	90.1	Very high	6 Å²	6	17 Å²	17	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-37.8	-174.8	-55.2	-38.9	93.5	0	0	111	V650 S656 V657 L658 C697 L739 M742 N743	V650-E654 HydrophobicContact CG1-CG 4Å; V650-E654 WeakPolarHBondContact O-CG 3.42Å; V650-E654 PolarHBondContact O-N 3.31Å; E654-S656 PolarHBondContact O-N 3.09Å; E654-V657 PolarHBondContact O-N 3.18Å; E654-L658 WeakPolarHBondContact O-CB 3.43Å; E654-L658 PolarHBondContact O-N 3.06Å; E654-C697 VanDerWaalsContact C-SG 3.54Å; E654-C697 HydrophobicContact CB-CB 4.41Å; E654-L739 HydrophobicContact CG-CD2 4.17Å; E654-M742 HydrophobicContact CB-CE 4.31Å; E654-M742 HydrophobicContact CG-CE 4.21Å; E654-M742 WeakPolarHBondContact OE2-CE 3.33Å; E654-N743 PolarHBondContact OE1-ND2 2.94Å; E654-N743 PolarHBondContact OE2-ND2 2.95Å
655	A	92.4	Very high	89.7	Confident	1 Å²	1	17.6 Å²	17.6	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-64.1	-39.5	175.1	0	0	0	0	0	112.1	S607 F651 S653 L659 L694 C697	S607-A655 VanDerWaalsContact OG-CB 3.3Å; S607-A655 WeakPolarHBondContact OG-CB 3.45Å; F651-A655 WeakPolarHBondContact O-CB 3.34Å; F651-A655 PolarHBondContact O-N 3.32Å; F651-A655 VanDerWaalsContact O-N 3.11Å; S653-A655 VanDerWaalsContact C-N 3.32Å; S653-A655 PolarHBondContact O-N 3.06Å; A655-L659 WeakPolarHBondContact O-CB 3.38Å; A655-L659 WeakPolarHBondContact O-CD1 3.26Å; A655-L659 WeakPolarHBondContact O-CG 3.34Å; A655-L659 PolarHBondContact O-N 3.1Å; A655-L694 HydrophobicContact CB-CD2 3.91Å; A655-C697 WeakPolarHBondContact CA-SG 3.49Å; A655-C697 HydrophobicContact CB-CB 4.27Å; A655-C697 PolarHBondContact N-SG 3.25Å; A655-C697 VanDerWaalsContact N-SG 3.35Å
656	S	89.4	Confident	89.1	Confident	12 Å²	12	18.2 Å²	18.2	8%	0.084	10%	0.099	C	C	.	.	H	α-helix	trans	-65.4	-43.9	178.2	-153.5	0	0	0	0	111.2	N608 A652 S653 E654 L660	N608-S656 PolarHBondContact OD1-OG 3.18Å; A652-S656 WeakPolarHBondContact O-CB 3.36Å; A652-S656 PolarHBondContact O-N 3.08Å; S653-S656 PolarHBondContact O-N 3.05Å; S653-S656 VanDerWaalsContact O-N 3.12Å; E654-S656 PolarHBondContact O-N 3.09Å; S656-L660 VanDerWaalsContact O-CB 3.3Å; S656-L660 WeakPolarHBondContact O-CB 3.23Å; S656-L660 PolarHBondContact O-N 3.3Å
657	V	88.6	Confident	88.3	Confident	32 Å²	32	18.7 Å²	18.7	19%	0.194	10%	0.102	C	C	.	.	H	α-helix	trans	-69.2	-43.1	178.8	177.9	0	0	0	0	112.5	S653 E654 L660 T661 N743 C746	S653-V657 PolarHBondContact O-N 3.32Å; S653-V657 VanDerWaalsContact O-N 3.1Å; E654-V657 PolarHBondContact O-N 3.18Å; V657-L660 PolarHBondContact O-N 3.04Å; V657-T661 WeakPolarHBondContact O-CB 3.39Å; V657-T661 PolarHBondContact O-N 3.31Å; V657-T661 PolarHBondContact O-OG1 3.25Å; V657-N743 WeakPolarHBondContact CB-OD1 3.38Å; V657-N743 WeakPolarHBondContact CG1-OD1 3.41Å; V657-N743 WeakPolarHBondContact CG2-OD1 3.27Å; V657-C746 HydrophobicContact CG1-CB 3.68Å
658	L	90.4	Very high	87.3	Confident	20 Å²	20	15.9 Å²	15.9	11%	0.105	10%	0.095	C	C	.	.	H	α-helix	trans	-70	-35.3	178.3	-77.7	165.6	0	0	0	112.5	E654 T661 L662 C693 L696 C697 M742 C746	E654-L658 WeakPolarHBondContact O-CB 3.43Å; E654-L658 PolarHBondContact O-N 3.06Å; L658-T661 WeakPolarHBondContact O-CB 3.43Å; L658-T661 PolarHBondContact O-N 3.36Å; L658-L662 PolarHBondContact O-N 2.86Å; L658-C693 HydrophobicContact CB-CB 4.21Å; L658-L696 HydrophobicContact CD1-CD2 4.27Å; L658-C697 VanDerWaalsContact CD1-SG 3.6Å; L658-M742 HydrophobicContact CD1-CE 4.31Å; L658-M742 HydrophobicContact CD1-SD 4.31Å; L658-M742 HydrophobicContact CD2-SD 4.38Å; L658-M742 HydrophobicContact CG-SD 4.41Å; L658-C746 VanDerWaalsContact CD2-SG 3.59Å
659	L	89.7	Confident	86.3	Confident	0 Å²	0	16 Å²	16	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.5	-36	173.5	-70.2	170.1	0	0	0	112.4	I600 C603 A655 T661 L662 A663 A690 L694	I600-L659 HydrophobicContact CG2-CB 4.4Å; C603-L659 HydrophobicContact CB-CD1 3.64Å; C603-L659 HydrophobicContact CB-CD2 4.17Å; A655-L659 WeakPolarHBondContact O-CB 3.38Å; A655-L659 WeakPolarHBondContact O-CD1 3.26Å; A655-L659 WeakPolarHBondContact O-CG 3.34Å; A655-L659 PolarHBondContact O-N 3.1Å; L659-T661 VanDerWaalsContact C-N 3.32Å; L659-L662 PolarHBondContact O-N 2.71Å; L659-A663 WeakPolarHBondContact O-CB 3.2Å; L659-A663 PolarHBondContact O-N 3.37Å; L659-A690 HydrophobicContact CD2-CB 4.2Å; L659-L694 HydrophobicContact CD1-CD2 4.32Å
660	L	86.3	Confident	85.2	Confident	12 Å²	12	17.5 Å²	17.5	6%	0.063	11%	0.11	C	C	.	.	H	α-helix	trans	-63.5	-39.6	170.9	-177.6	65.3	0	0	0	111.4	S656 V657 A663 A664 I782 N785	S656-L660 VanDerWaalsContact O-CB 3.3Å; S656-L660 WeakPolarHBondContact O-CB 3.23Å; S656-L660 PolarHBondContact O-N 3.3Å; V657-L660 PolarHBondContact O-N 3.04Å; L660-A663 WeakPolarHBondContact O-CB 3.4Å; L660-A663 PolarHBondContact O-N 3.48Å; L660-A664 PolarHBondContact O-N 3.05Å; L660-I782 HydrophobicContact CD1-CG1 3.89Å; L660-I782 HydrophobicContact CG-CG1 4.44Å; L660-N785 HydrophobicContact CD2-CB 3.56Å
661	T	88.4	Confident	84	Confident	14 Å²	14	18.7 Å²	18.7	9%	0.086	12%	0.117	C	C	.	.	H	α-helix	trans	-63.1	-45.1	174.5	-53.8	0	0	0	0	111.4	V657 L658 L659 A663 A664 V665 C746 I749 V750	V657-T661 WeakPolarHBondContact O-CB 3.39Å; V657-T661 PolarHBondContact O-N 3.31Å; V657-T661 PolarHBondContact O-OG1 3.25Å; L658-T661 WeakPolarHBondContact O-CB 3.43Å; L658-T661 PolarHBondContact O-N 3.36Å; L659-T661 VanDerWaalsContact C-N 3.32Å; T661-A663 VanDerWaalsContact C-N 3.34Å; T661-A663 PolarHBondContact O-N 2.96Å; T661-A664 PolarHBondContact O-N 3.36Å; T661-V665 WeakPolarHBondContact O-CG2 3.33Å; T661-V665 PolarHBondContact O-N 3.47Å; T661-C746 WeakPolarHBondContact OG1-CB 3.3Å; T661-I749 HydrophobicContact CG2-CB 4.16Å; T661-I749 HydrophobicContact CG2-CG2 3.77Å; T661-V750 HydrophobicContact CG2-CG2 4.24Å; T661-V750 WeakPolarHBondContact OG1-CG2 3.44Å
662	L	88.1	Confident	82.6	Confident	24 Å²	24	19.5 Å²	19.5	13%	0.126	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-40.1	174	-178.5	60.2	0	0	0	112	I600 L658 L659 Q666 C689 A690	I600-L662 HydrophobicContact CD1-CG 4.29Å; L658-L662 PolarHBondContact O-N 2.86Å; L659-L662 PolarHBondContact O-N 2.71Å; L662-Q666 WeakPolarHBondContact O-CB 3.28Å; L662-Q666 PolarHBondContact O-N 3Å; L662-C689 HydrophobicContact CD1-CB 3.72Å; L662-C689 HydrophobicContact CD2-CB 4.03Å; L662-A690 HydrophobicContact CD2-CB 3.82Å
663	A	82.4	Confident	81	Confident	9 Å²	9	21.7 Å²	21.7	7%	0.074	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-46.7	175.4	0	0	0	0	0	112.2	I600 L659 L660 T661 Q666 C667	I600-A663 HydrophobicContact CG2-CB 4.03Å; L659-A663 WeakPolarHBondContact O-CB 3.2Å; L659-A663 PolarHBondContact O-N 3.37Å; L660-A663 WeakPolarHBondContact O-CB 3.4Å; L660-A663 PolarHBondContact O-N 3.48Å; T661-A663 VanDerWaalsContact C-N 3.34Å; T661-A663 PolarHBondContact O-N 2.96Å; A663-Q666 PolarHBondContact O-N 3.38Å; A663-C667 PolarHBondContact O-N 3.36Å; A663-C667 PolarHBondContact O-SG 3Å
664	A	81.5	Confident	79.6	Confident	3 Å²	3	22.9 Å²	22.9	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-60.2	-48.2	178.9	0	0	0	0	0	112	L660 T661 C667 G668 V750 I782	L660-A664 PolarHBondContact O-N 3.05Å; T661-A664 PolarHBondContact O-N 3.36Å; A664-C667 PolarHBondContact O-N 3.01Å; A664-G668 PolarHBondContact O-N 2.99Å; A664-V750 HydrophobicContact CB-CG1 4.46Å; A664-V750 HydrophobicContact CB-CG2 4.22Å; A664-I782 HydrophobicContact CB-CD1 3.64Å; A664-I782 HydrophobicContact CB-CG1 4.45Å
665	V	84.3	Confident	78	Confident	66 Å²	66	28.2 Å²	28.2	40%	0.4	17%	0.17	S	C	.	.	H	α-helix	trans	-65.5	-43.8	178	174.3	0	0	0	0	111.1	T661 C667 G668 A669 I749	T661-V665 WeakPolarHBondContact O-CG2 3.33Å; T661-V665 PolarHBondContact O-N 3.47Å; V665-C667 VanDerWaalsContact C-N 3.32Å; V665-C667 PolarHBondContact O-N 2.97Å; V665-G668 PolarHBondContact O-N 2.9Å; V665-A669 VanDerWaalsContact O-CB 3.25Å; V665-A669 WeakPolarHBondContact O-CB 3.48Å; V665-A669 PolarHBondContact O-N 2.87Å; V665-I749 HydrophobicContact CG2-CG2 3.98Å
666	Q	80.3	Confident	76.4	Confident	24 Å²	24	31.1 Å²	31.1	11%	0.112	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-38.8	177.3	172.3	59.8	19.8	0	0	112.2	I600 L662 A663 S670 V686	I600-Q666 HydrophobicContact CD1-CB 4.31Å; I600-Q666 HydrophobicContact CD1-CG 4.22Å; L662-Q666 WeakPolarHBondContact O-CB 3.28Å; L662-Q666 PolarHBondContact O-N 3Å; A663-Q666 PolarHBondContact O-N 3.38Å; Q666-S670 PolarHBondContact NE2-OG 3.37Å; Q666-S670 VanDerWaalsContact NE2-OG 3.17Å; Q666-S670 VanDerWaalsContact O-CB 3.28Å; Q666-S670 WeakPolarHBondContact O-CB 3.28Å; Q666-S670 PolarHBondContact O-N 2.87Å; Q666-S670 PolarHBondContact O-OG 3.27Å; Q666-V686 HydrophobicContact CG-CG2 4.44Å
667	C	73.7	Confident	74.9	Confident	12 Å²	12	39.8 Å²	39.8	8%	0.081	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-49.3	175.7	-75.9	0	0	0	0	112.2	A663 A664 V665 A669 S670 V671 L757	A663-C667 PolarHBondContact O-N 3.36Å; A663-C667 PolarHBondContact O-SG 3Å; A664-C667 PolarHBondContact O-N 3.01Å; V665-C667 VanDerWaalsContact C-N 3.32Å; V665-C667 PolarHBondContact O-N 2.97Å; C667-A669 PolarHBondContact O-N 3.3Å; C667-S670 PolarHBondContact O-N 3Å; C667-V671 PolarHBondContact O-N 3.04Å; C667-L757 HydrophobicContact CB-CD2 4.03Å
668	G	72.4	Confident	73.3	Confident	10 Å²	10	41.5 Å²	41.5	10%	0.103	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-40.4	177.2	0	0	0	0	0	113.4	A664 V665 T672	A664-G668 PolarHBondContact O-N 2.99Å; V665-G668 PolarHBondContact O-N 2.9Å; G668-T672 PolarHBondContact O-N 3.14Å; G668-T672 PolarHBondContact O-OG1 2.72Å
669	A	72.3	Confident	71.7	Confident	35 Å²	35	48.4 Å²	48.4	29%	0.289	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-41.3	174.7	0	0	0	0	0	111.9	V665 C667 V671 T672 C673	V665-A669 VanDerWaalsContact O-CB 3.25Å; V665-A669 WeakPolarHBondContact O-CB 3.48Å; V665-A669 PolarHBondContact O-N 2.87Å; C667-A669 PolarHBondContact O-N 3.3Å; A669-V671 PolarHBondContact O-N 3.2Å; A669-T672 PolarHBondContact O-N 3.36Å; A669-C673 WeakPolarHBondContact O-CB 3.44Å; A669-C673 PolarHBondContact O-N 3.45Å; A669-C673 PolarHBondContact O-SG 3.24Å; A669-C673 VanDerWaalsContact O-SG 3.39Å
670	S	68.8	Low	70.3	Confident	35 Å²	35	53.3 Å²	53.3	25%	0.245	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-42.2	179.8	-62.7	0	0	0	0	112.5	Q666 C667 A674	Q666-S670 PolarHBondContact NE2-OG 3.37Å; Q666-S670 VanDerWaalsContact NE2-OG 3.17Å; Q666-S670 VanDerWaalsContact O-CB 3.28Å; Q666-S670 WeakPolarHBondContact O-CB 3.28Å; Q666-S670 PolarHBondContact O-N 2.87Å; Q666-S670 PolarHBondContact O-OG 3.27Å; C667-S670 PolarHBondContact O-N 3Å; S670-A674 VanDerWaalsContact O-CB 3.24Å; S670-A674 WeakPolarHBondContact O-CB 3.49Å; S670-A674 PolarHBondContact O-N 3.46Å
671	V	65.5	Low	69.3	Low	27 Å²	27	54 Å²	54	16%	0.164	32%	0.32	C	S	.	.	H	α-helix	trans	-63.9	-42.4	174.8	176.2	0	0	0	0	111.2	C667 A669 R675 L757	C667-V671 PolarHBondContact O-N 3.04Å; A669-V671 PolarHBondContact O-N 3.2Å; V671-R675 PolarHBondContact O-N 3.44Å; V671-L757 HydrophobicContact CG2-CD1 3.87Å
672	T	65.4	Low	68.6	Low	48 Å²	48	56.7 Å²	56.7	29%	0.294	34%	0.339	S	S	.	.	H	α-helix	trans	-65.7	-47	179.2	-51	0	0	0	0	111.9	G668 A669 R675 A676 R756	G668-T672 PolarHBondContact O-N 3.14Å; G668-T672 PolarHBondContact O-OG1 2.72Å; A669-T672 PolarHBondContact O-N 3.36Å; T672-R675 PolarHBondContact O-N 3Å; T672-A676 WeakPolarHBondContact O-CB 3.48Å; T672-A676 PolarHBondContact O-N 3.37Å; T672-R756 PolarHBondContact OG1-NH2 2.97Å
673	C	59.2	Low	68	Low	47 Å²	47	58.8 Å²	58.8	32%	0.318	35%	0.35	S	S	.	.	H	α-helix	trans	-71.3	-31.8	-179	-69	0	0	0	0	113	A669 A676 Y677 G678	A669-C673 WeakPolarHBondContact O-CB 3.44Å; A669-C673 PolarHBondContact O-N 3.45Å; A669-C673 PolarHBondContact O-SG 3.24Å; A669-C673 VanDerWaalsContact O-SG 3.39Å; C673-A676 PolarHBondContact O-N 2.91Å; C673-Y677 PolarHBondContact O-N 3.26Å; C673-G678 PolarHBondContact O-N 3.5Å
674	A	60.4	Low	67.9	Low	44 Å²	44	62.5 Å²	62.5	36%	0.364	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-47.1	171.7	0	0	0	0	0	111.1	S670 G678	S670-A674 VanDerWaalsContact O-CB 3.24Å; S670-A674 WeakPolarHBondContact O-CB 3.49Å; S670-A674 PolarHBondContact O-N 3.46Å; A674-G678 PolarHBondContact O-N 2.89Å
675	R	59.2	Low	68	Low	118 Å²	118	65.4 Å²	65.4	45%	0.445	40%	0.395	S	S	.	.	H	α-helix	trans	-63.4	-40.3	174.7	-74.6	-179.4	171	132.4	-1	113.2	V671 T672 E760	V671-R675 PolarHBondContact O-N 3.44Å; T672-R675 PolarHBondContact O-N 3Å; R675-E760 IonicContact NH1-OE2 2.78Å; R675-E760 PolarHBondContact NH1-OE2 3.39Å; R675-E760 PolarHBondContact NH2-O 3.03Å
676	A	58.2	Low	67.9	Low	61 Å²	61	62.4 Å²	62.4	50%	0.504	38%	0.377	S	S	.	.	H	α-helix	trans	-87	-33.6	-170.6	0	0	0	0	0	115.3	T672 C673	T672-A676 WeakPolarHBondContact O-CB 3.48Å; T672-A676 PolarHBondContact O-N 3.37Å; C673-A676 PolarHBondContact O-N 2.91Å
677	Y	56.9	Low	68.2	Low	194 Å²	194	66.2 Å²	66.2	76%	0.761	39%	0.391	S	S	*	.	H	α-helix	trans	-139.8	2.4	-169.6	-63.9	-72.3	0	0	0	115	C673 K679	C673-Y677 PolarHBondContact O-N 3.26Å; Y677-K679 PolarHBondContact O-N 3.48Å; Y677-K679 VanDerWaalsContact O-N 3.13Å
678	G	55.8	Low	68.9	Low	69 Å²	69	70.3 Å²	70.3	71%	0.711	42%	0.415	S	S	*	.	S	Bend	trans	62.7	19.3	177.5	0	0	0	0	0	115.1	C673 A674	C673-G678 PolarHBondContact O-N 3.5Å; A674-G678 PolarHBondContact O-N 2.89Å
679	K	57.8	Low	69.7	Low	164 Å²	164	72.4 Å²	72.4	71%	0.713	43%	0.428	S	S	*	.			trans	-134.6	135.4	-178.1	-68.3	179.4	-176.9	175.1	0	110.7	Y677	Y677-K679 PolarHBondContact O-N 3.48Å; Y677-K679 VanDerWaalsContact O-N 3.13Å
680	S	59.9	Low	70.5	Confident	103 Å²	103	70.8 Å²	70.8	72%	0.72	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-77	156.8	172.4	50.8	0	0	0	0	111.6
681	P	64.4	Low	71.6	Confident	28 Å²	28	74.6 Å²	74.6	18%	0.182	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-59.9	140.3	174.5	-23.7	35	0	0	0	111.9
682	S	74	Confident	72.9	Confident	70 Å²	70	79.9 Å²	79.9	49%	0.49	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-70.8	140.9	-175.9	72	0	0	0	0	111.9	S684 S685 V686	S682-S684 PolarHBondContact O-N 2.98Å; S682-S685 WeakPolarHBondContact O-CB 3.31Å; S682-S685 PolarHBondContact O-N 3.47Å; S682-S685 WeakPolarHBondContact OG-CB 3.31Å; S682-S685 PolarHBondContact OG-N 3.11Å; S682-V686 PolarHBondContact O-N 3.39Å
683	L	76.4	Confident	74.3	Confident	68 Å²	68	78.4 Å²	78.4	36%	0.356	44%	0.437	S	S	.	.	H	α-helix	trans	-54.6	-36.9	176.8	179.2	63.4	0	0	0	111.9	P596 V686 R687	P596-L683 HydrophobicContact CB-CD1 4.08Å; P596-L683 HydrophobicContact CG-CB 4.21Å; P596-L683 HydrophobicContact CG-CD1 3.95Å; L683-V686 PolarHBondContact O-N 3.06Å; L683-R687 HydrophobicContact CD1-CG 4.38Å; L683-R687 HydrophobicContact CG-CG 4.49Å; L683-R687 WeakPolarHBondContact O-CB 3.48Å; L683-R687 VanDerWaalsContact O-CG 3.3Å; L683-R687 WeakPolarHBondContact O-CG 3.47Å; L683-R687 PolarHBondContact O-N 3.05Å
684	S	79.9	Confident	75.9	Confident	87 Å²	87	78.2 Å²	78.2	61%	0.608	43%	0.432	S	S	*	.	H	α-helix	trans	-61.6	-42.5	176.3	-50.4	0	0	0	0	112.5	S682 R687 T688	S682-S684 PolarHBondContact O-N 2.98Å; S684-R687 PolarHBondContact O-N 3.44Å; S684-T688 PolarHBondContact O-N 3.4Å; S684-T688 PolarHBondContact O-OG1 2.78Å; S684-T688 VanDerWaalsContact O-OG1 3.09Å
685	S	83.3	Confident	77.4	Confident	63 Å²	63	79.9 Å²	79.9	44%	0.441	44%	0.438	S	S	.	.	H	α-helix	trans	-64.7	-46.4	178.2	-178.3	0	0	0	0	111.4	S682 R687 T688 C689	S682-S685 WeakPolarHBondContact O-CB 3.31Å; S682-S685 PolarHBondContact O-N 3.47Å; S682-S685 WeakPolarHBondContact OG-CB 3.31Å; S682-S685 PolarHBondContact OG-N 3.11Å; S685-R687 VanDerWaalsContact C-N 3.32Å; S685-R687 PolarHBondContact O-N 3.41Å; S685-T688 PolarHBondContact O-N 3.07Å; S685-C689 PolarHBondContact O-N 2.83Å; S685-C689 PolarHBondContact O-SG 3.01Å; S685-C689 VanDerWaalsContact O-SG 3.4Å
686	V	82.8	Confident	79.1	Confident	4 Å²	4	77.2 Å²	77.2	2%	0.024	43%	0.432	C	S	.	.	H	α-helix	trans	-62.3	-39.4	177.7	177.8	0	0	0	0	111.6	P596 I600 Q666 S682 L683 C689 A690	P596-V686 HydrophobicContact CB-CB 4.1Å; P596-V686 HydrophobicContact CB-CG1 4.09Å; P596-V686 HydrophobicContact CB-CG2 3.93Å; I600-V686 HydrophobicContact CD1-CG1 3.71Å; I600-V686 HydrophobicContact CG1-CG1 3.85Å; Q666-V686 HydrophobicContact CG-CG2 4.44Å; S682-V686 PolarHBondContact O-N 3.39Å; L683-V686 PolarHBondContact O-N 3.06Å; V686-C689 PolarHBondContact O-N 3.07Å; V686-A690 WeakPolarHBondContact O-CB 3.3Å; V686-A690 PolarHBondContact O-N 3.49Å
687	R	86.8	Confident	80.8	Confident	104 Å²	104	74.3 Å²	74.3	39%	0.392	41%	0.408	S	S	.	.	H	α-helix	trans	-62.1	-45.2	173.6	-74.9	-178.6	67.9	-172.6	-0.8	112	F599 L683 S684 S685 C689 A690 Y691	F599-R687 HydrophobicContact CD1-CG 4.01Å; F599-R687 HydrophobicContact CE1-CB 4.38Å; F599-R687 HydrophobicContact CE1-CG 3.73Å; F599-R687 HydrophobicContact CE2-CG 4.28Å; F599-R687 HydrophobicContact CG-CG 4.42Å; F599-R687 HydrophobicContact CZ-CG 3.88Å; L683-R687 HydrophobicContact CD1-CG 4.38Å; L683-R687 HydrophobicContact CG-CG 4.49Å; L683-R687 WeakPolarHBondContact O-CB 3.48Å; L683-R687 VanDerWaalsContact O-CG 3.3Å; L683-R687 WeakPolarHBondContact O-CG 3.47Å; L683-R687 PolarHBondContact O-N 3.05Å; S684-R687 PolarHBondContact O-N 3.44Å; S685-R687 VanDerWaalsContact C-N 3.32Å; S685-R687 PolarHBondContact O-N 3.41Å; R687-C689 PolarHBondContact O-N 3.12Å; R687-A690 PolarHBondContact O-N 2.97Å; R687-Y691 HydrophobicContact CB-CD2 4.45Å; R687-Y691 HydrophobicContact CB-CE2 4.16Å; R687-Y691 PolarHBondContact NH2-OH 3.49Å; R687-Y691 WeakPolarHBondContact O-CD2 3.43Å; R687-Y691 PolarHBondContact O-N 3.28Å
688	T	88.1	Confident	82.5	Confident	97 Å²	97	69 Å²	69	60%	0.595	39%	0.393	S	S	*	.	H	α-helix	trans	-60.4	-44.1	176.7	-58.4	0	0	0	0	111.9	S684 S685 Y691 F692	S684-T688 PolarHBondContact O-N 3.4Å; S684-T688 PolarHBondContact O-OG1 2.78Å; S684-T688 VanDerWaalsContact O-OG1 3.09Å; S685-T688 PolarHBondContact O-N 3.07Å; T688-Y691 PolarHBondContact O-N 3.44Å; T688-F692 PolarHBondContact O-N 2.86Å
689	C	89.4	Confident	84.3	Confident	54 Å²	54	69.5 Å²	69.5	37%	0.365	38%	0.382	S	S	.	.	H	α-helix	trans	-63.2	-43.1	175.8	-64.4	0	0	0	0	112.3	L662 S685 V686 R687 F692 C693	L662-C689 HydrophobicContact CD1-CB 3.72Å; L662-C689 HydrophobicContact CD2-CB 4.03Å; S685-C689 PolarHBondContact O-N 2.83Å; S685-C689 PolarHBondContact O-SG 3.01Å; S685-C689 VanDerWaalsContact O-SG 3.4Å; V686-C689 PolarHBondContact O-N 3.07Å; R687-C689 PolarHBondContact O-N 3.12Å; C689-F692 WeakPolarHBondContact O-CB 3.29Å; C689-F692 PolarHBondContact O-N 3.49Å; C689-C693 PolarHBondContact O-N 2.96Å; C689-C693 PolarHBondContact O-SG 3.33Å; C689-C693 VanDerWaalsContact O-SG 3.35Å
690	A	89	Confident	85.8	Confident	1 Å²	1	63 Å²	63	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-64.9	-40.5	177.5	0	0	0	0	0	112.4	F599 L659 L662 V686 R687 C693 L694	F599-A690 HydrophobicContact CE1-CB 3.87Å; L659-A690 HydrophobicContact CD2-CB 4.2Å; L662-A690 HydrophobicContact CD2-CB 3.82Å; V686-A690 WeakPolarHBondContact O-CB 3.3Å; V686-A690 PolarHBondContact O-N 3.49Å; R687-A690 PolarHBondContact O-N 2.97Å; A690-C693 PolarHBondContact O-N 2.9Å; A690-L694 WeakPolarHBondContact O-CG 3.4Å; A690-L694 PolarHBondContact O-N 3.05Å
691	Y	91.8	Very high	87.3	Confident	116 Å²	116	58 Å²	58	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-62	-42.3	172.5	-71.1	-53.1	0	0	0	111.5	R687 T688 L694 T695	R687-Y691 HydrophobicContact CB-CD2 4.45Å; R687-Y691 HydrophobicContact CB-CE2 4.16Å; R687-Y691 PolarHBondContact NH2-OH 3.49Å; R687-Y691 WeakPolarHBondContact O-CD2 3.43Å; R687-Y691 PolarHBondContact O-N 3.28Å; T688-Y691 PolarHBondContact O-N 3.44Å; Y691-L694 PolarHBondContact O-N 3.46Å; Y691-T695 PolarHBondContact O-N 2.92Å; Y691-T695 PolarHBondContact O-OG1 3.13Å; Y691-T695 VanDerWaalsContact O-OG1 3.13Å
692	F	92.8	Very high	88.6	Confident	137 Å²	137	58.7 Å²	58.7	60%	0.601	33%	0.326	S	S	*	.	H	α-helix	trans	-60	-47.4	176.3	-179.1	-97.8	0	0	0	112.1	T688 C689 L694 T695 L696	T688-F692 PolarHBondContact O-N 2.86Å; C689-F692 WeakPolarHBondContact O-CB 3.29Å; C689-F692 PolarHBondContact O-N 3.49Å; F692-L694 VanDerWaalsContact C-N 3.35Å; F692-L694 PolarHBondContact O-N 2.93Å; F692-T695 WeakPolarHBondContact CA-OG1 3.38Å; F692-T695 PolarHBondContact O-N 2.88Å; F692-T695 PolarHBondContact O-OG1 3.1Å; F692-L696 PolarHBondContact O-N 2.96Å
693	C	93.1	Very high	89.3	Confident	18 Å²	18	58.7 Å²	58.7	12%	0.122	32%	0.32	C	S	.	.	H	α-helix	trans	-55.8	-48	173.8	-67.7	0	0	0	0	111.6	L658 C689 A690 T695 L696 C697	L658-C693 HydrophobicContact CB-CB 4.21Å; C689-C693 PolarHBondContact O-N 2.96Å; C689-C693 PolarHBondContact O-SG 3.33Å; C689-C693 VanDerWaalsContact O-SG 3.35Å; A690-C693 PolarHBondContact O-N 2.9Å; C693-T695 PolarHBondContact O-N 3.49Å; C693-L696 PolarHBondContact O-N 3.13Å; C693-C697 PolarHBondContact O-N 3.39Å; C693-C697 PolarHBondContact O-SG 3.26Å
694	L	93.2	Very high	89.7	Confident	43 Å²	43	56 Å²	56	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-37.8	179.4	-70.7	170.2	0	0	0	112.8	F651 A655 L659 A690 Y691 F692 L696 C697 L698	F651-L694 HydrophobicContact CZ-CD2 4.16Å; A655-L694 HydrophobicContact CB-CD2 3.91Å; L659-L694 HydrophobicContact CD1-CD2 4.32Å; A690-L694 WeakPolarHBondContact O-CG 3.4Å; A690-L694 PolarHBondContact O-N 3.05Å; Y691-L694 PolarHBondContact O-N 3.46Å; F692-L694 VanDerWaalsContact C-N 3.35Å; F692-L694 PolarHBondContact O-N 2.93Å; L694-L696 VanDerWaalsContact C-N 3.34Å; L694-C697 PolarHBondContact O-N 3.19Å; L694-L698 WeakPolarHBondContact O-CB 3.36Å; L694-L698 PolarHBondContact O-N 3.26Å
695	T	93.4	Very high	89.8	Confident	78 Å²	78	56.4 Å²	56.4	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-34.7	173.8	48.8	0	0	0	0	112.7	Y691 F692 C693 L698 T699	Y691-T695 PolarHBondContact O-N 2.92Å; Y691-T695 PolarHBondContact O-OG1 3.13Å; Y691-T695 VanDerWaalsContact O-OG1 3.13Å; F692-T695 WeakPolarHBondContact CA-OG1 3.38Å; F692-T695 PolarHBondContact O-N 2.88Å; F692-T695 PolarHBondContact O-OG1 3.1Å; C693-T695 PolarHBondContact O-N 3.49Å; T695-L698 WeakPolarHBondContact O-CB 3.44Å; T695-L698 PolarHBondContact O-N 3.11Å; T695-T699 PolarHBondContact O-N 3.5Å; T695-T699 PolarHBondContact O-OG1 3.3Å
696	L	93.3	Very high	89.8	Confident	63 Å²	63	59 Å²	59	33%	0.33	31%	0.314	S	S	.	.	H	α-helix	trans	-68.4	-39.1	174.4	-178.5	61.9	0	0	0	111.7	L658 F692 C693 L694 L698 T699 I700	L658-L696 HydrophobicContact CD1-CD2 4.27Å; F692-L696 PolarHBondContact O-N 2.96Å; C693-L696 PolarHBondContact O-N 3.13Å; L694-L696 VanDerWaalsContact C-N 3.34Å; L696-L698 VanDerWaalsContact C-N 3.31Å; L696-L698 PolarHBondContact O-N 2.93Å; L696-T699 PolarHBondContact O-N 3.22Å; L696-T699 PolarHBondContact O-OG1 2.69Å; L696-I700 HydrophobicContact CD1-CD1 3.95Å; L696-I700 HydrophobicContact CD1-CG1 4.33Å; L696-I700 HydrophobicContact CG-CD1 3.91Å; L696-I700 WeakPolarHBondContact O-CB 3.07Å; L696-I700 VanDerWaalsContact O-CG1 3.24Å; L696-I700 WeakPolarHBondContact O-CG1 3.45Å; L696-I700 PolarHBondContact O-N 3.4Å
697	C	93.9	Very high	89.2	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-39.9	173.3	-58.4	0	0	0	0	111.3	F651 E654 A655 L658 C693 L694 I700 A701	F651-C697 HydrophobicContact CD2-CB 3.82Å; F651-C697 HydrophobicContact CE2-CB 3.89Å; E654-C697 VanDerWaalsContact C-SG 3.54Å; E654-C697 HydrophobicContact CB-CB 4.41Å; A655-C697 WeakPolarHBondContact CA-SG 3.49Å; A655-C697 HydrophobicContact CB-CB 4.27Å; A655-C697 PolarHBondContact N-SG 3.25Å; A655-C697 VanDerWaalsContact N-SG 3.35Å; L658-C697 VanDerWaalsContact CD1-SG 3.6Å; C693-C697 PolarHBondContact O-N 3.39Å; C693-C697 PolarHBondContact O-SG 3.26Å; L694-C697 PolarHBondContact O-N 3.19Å; C697-I700 PolarHBondContact O-N 3.19Å; C697-A701 WeakPolarHBondContact O-CB 3.5Å; C697-A701 PolarHBondContact O-N 3.01Å
698	L	94	Very high	88.4	Confident	83 Å²	83	60.7 Å²	60.7	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-44.8	178.9	-164.3	78.4	0	0	0	111.9	W647 F651 L694 T695 L696 S702	W647-L698 HydrophobicContact CH2-CD1 3.78Å; W647-L698 HydrophobicContact CZ2-CD1 3.57Å; F651-L698 HydrophobicContact CD2-CB 4.48Å; F651-L698 HydrophobicContact CD2-CD1 4.24Å; F651-L698 HydrophobicContact CE2-CB 4.22Å; F651-L698 HydrophobicContact CE2-CD1 4.06Å; L694-L698 WeakPolarHBondContact O-CB 3.36Å; L694-L698 PolarHBondContact O-N 3.26Å; T695-L698 WeakPolarHBondContact O-CB 3.44Å; T695-L698 PolarHBondContact O-N 3.11Å; L696-L698 VanDerWaalsContact C-N 3.31Å; L696-L698 PolarHBondContact O-N 2.93Å; L698-S702 WeakPolarHBondContact O-CB 3.49Å; L698-S702 PolarHBondContact O-N 3.14Å; L698-S702 VanDerWaalsContact O-N 3.09Å; L698-S702 PolarHBondContact O-OG 2.75Å
699	T	92.2	Very high	87.5	Confident	78 Å²	78	56.6 Å²	56.6	48%	0.479	33%	0.326	S	S	.	.	H	α-helix	trans	-66.9	-43.8	176.9	53.9	0	0	0	0	111.4	T695 L696 S702 L703	T695-T699 PolarHBondContact O-N 3.5Å; T695-T699 PolarHBondContact O-OG1 3.3Å; L696-T699 PolarHBondContact O-N 3.22Å; L696-T699 PolarHBondContact O-OG1 2.69Å; T699-S702 WeakPolarHBondContact CA-OG 3.32Å; T699-S702 PolarHBondContact O-N 3.09Å; T699-S702 VanDerWaalsContact O-N 3.14Å; T699-S702 PolarHBondContact O-OG 3.1Å; T699-L703 PolarHBondContact O-N 2.74Å
700	I	90.9	Very high	86.8	Confident	27 Å²	27	58.7 Å²	58.7	14%	0.138	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-47.1	178.2	-70.1	171.6	0	0	0	111.6	L696 C697 S702 L703 F735 L739 M742	L696-I700 HydrophobicContact CD1-CD1 3.95Å; L696-I700 HydrophobicContact CD1-CG1 4.33Å; L696-I700 HydrophobicContact CG-CD1 3.91Å; L696-I700 WeakPolarHBondContact O-CB 3.07Å; L696-I700 VanDerWaalsContact O-CG1 3.24Å; L696-I700 WeakPolarHBondContact O-CG1 3.45Å; L696-I700 PolarHBondContact O-N 3.4Å; C697-I700 PolarHBondContact O-N 3.19Å; I700-S702 PolarHBondContact O-N 3.02Å; I700-L703 WeakPolarHBondContact O-CB 3.4Å; I700-L703 PolarHBondContact O-N 3.42Å; I700-F735 HydrophobicContact CG2-CE2 4.35Å; I700-F735 WeakPolarHBondContact O-CE2 3.43Å; I700-L739 HydrophobicContact CG2-CD2 3.52Å; I700-M742 HydrophobicContact CD1-CE 3.98Å
701	A	91.6	Very high	86.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.4	-29.7	175.9	0	0	0	0	0	112.5	W647 V650 F651 C697 L703 Y711	W647-A701 HydrophobicContact CG-CB 4.44Å; V650-A701 HydrophobicContact CB-CB 4.47Å; V650-A701 HydrophobicContact CG1-CB 4.23Å; F651-A701 HydrophobicContact CB-CB 3.94Å; C697-A701 WeakPolarHBondContact O-CB 3.5Å; C697-A701 PolarHBondContact O-N 3.01Å; A701-L703 VanDerWaalsContact C-N 3.35Å; A701-L703 PolarHBondContact O-N 3.32Å; A701-Y711 PolarHBondContact O-OH 3.41Å; A701-Y711 VanDerWaalsContact O-OH 3.08Å
702	S	91.4	Very high	85.7	Confident	42 Å²	42	54.8 Å²	54.8	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-74.6	-16.8	177.1	72.2	0	0	0	0	115	L698 T699 I700 L705	L698-S702 WeakPolarHBondContact O-CB 3.49Å; L698-S702 PolarHBondContact O-N 3.14Å; L698-S702 VanDerWaalsContact O-N 3.09Å; L698-S702 PolarHBondContact O-OG 2.75Å; T699-S702 WeakPolarHBondContact CA-OG 3.32Å; T699-S702 PolarHBondContact O-N 3.09Å; T699-S702 VanDerWaalsContact O-N 3.14Å; T699-S702 PolarHBondContact O-OG 3.1Å; I700-S702 PolarHBondContact O-N 3.02Å; S702-L705 WeakPolarHBondContact O-CB 3.29Å; S702-L705 PolarHBondContact O-N 3.12Å
703	L	87.9	Confident	84.9	Confident	70 Å²	70	49.3 Å²	49.3	37%	0.366	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-57.8	-44.9	-172.9	-79.6	171.2	0	0	0	114.5	T699 I700 A701 L705 V706 V708 F735	T699-L703 PolarHBondContact O-N 2.74Å; I700-L703 WeakPolarHBondContact O-CB 3.4Å; I700-L703 PolarHBondContact O-N 3.42Å; A701-L703 VanDerWaalsContact C-N 3.35Å; A701-L703 PolarHBondContact O-N 3.32Å; L703-L705 VanDerWaalsContact C-N 3.25Å; L703-L705 PolarHBondContact O-N 2.9Å; L703-V706 CarbonylContact O-C 3.5Å; L703-V706 PolarHBondContact O-N 3.1Å; L703-V708 HydrophobicContact CB-CB 4.15Å; L703-V708 HydrophobicContact CB-CG1 4.49Å; L703-V708 HydrophobicContact CD2-CB 4.36Å; L703-V708 HydrophobicContact CD2-CG2 4.44Å; L703-V708 PolarHBondContact O-N 2.97Å; L703-V708 VanDerWaalsContact O-N 3.09Å; L703-F735 HydrophobicContact CB-CD2 4.34Å; L703-F735 HydrophobicContact CB-CE2 3.93Å; L703-F735 HydrophobicContact CD1-CE2 4.23Å
704	P	84.6	Confident	84.4	Confident	11 Å²	11	48.8 Å²	48.8	7%	0.071	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-65.1	-26.1	176.3	-24.9	37.1	0	0	0	113.8	V706 G707 V708 G709 Y711 F735	P704-V706 PolarHBondContact O-N 3.48Å; P704-G707 PolarHBondContact O-N 3.37Å; P704-G707 VanDerWaalsContact O-N 3.1Å; P704-V708 WeakPolarHBondContact CA-O 3.26Å; P704-G709 WeakPolarHBondContact CA-O 3.39Å; P704-G709 WeakPolarHBondContact CB-O 3.34Å; P704-Y711 HydrophobicContact CB-CD2 3.68Å; P704-Y711 HydrophobicContact CB-CE2 3.65Å; P704-Y711 HydrophobicContact CB-CG 4.26Å; P704-Y711 HydrophobicContact CG-CD2 4.2Å; P704-Y711 HydrophobicContact CG-CE1 4.4Å; P704-Y711 HydrophobicContact CG-CE2 3.71Å; P704-F735 HydrophobicContact CG-CD1 3.89Å; P704-F735 HydrophobicContact CG-CD2 4.4Å; P704-F735 HydrophobicContact CG-CE1 3.46Å; P704-F735 VanDerWaalsContact CG-CE1 3.46Å; P704-F735 HydrophobicContact CG-CE2 4.03Å; P704-F735 HydrophobicContact CG-CG 4.34Å; P704-F735 HydrophobicContact CG-CZ 3.54Å
705	L	82.7	Confident	84	Confident	96 Å²	96	46.8 Å²	46.8	50%	0.503	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-71	-11.3	175	-54.2	-179.6	0	0	0	112.8	W647 S702 L703 Y711	W647-L705 HydrophobicContact CG-CD1 4.34Å; S702-L705 WeakPolarHBondContact O-CB 3.29Å; S702-L705 PolarHBondContact O-N 3.12Å; L703-L705 VanDerWaalsContact C-N 3.25Å; L703-L705 PolarHBondContact O-N 2.9Å; L705-Y711 HydrophobicContact CD2-CD2 3.97Å; L705-Y711 HydrophobicContact CD2-CE2 4.34Å; L705-Y711 HydrophobicContact CG-CE2 4.47Å
706	V	82.1	Confident	83.7	Confident	116 Å²	116	43.3 Å²	43.3	70%	0.703	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-110.8	18.4	173.8	-156.3	0	0	0	0	110.8	L703 P704	L703-V706 CarbonylContact O-C 3.5Å; L703-V706 PolarHBondContact O-N 3.1Å; P704-V706 PolarHBondContact O-N 3.48Å
707	G	71.9	Confident	83.5	Confident	67 Å²	67	40.3 Å²	40.3	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.8	8.8	176.4	0	0	0	0	0	115.8	P704 G709	P704-G707 PolarHBondContact O-N 3.37Å; P704-G707 VanDerWaalsContact O-N 3.1Å; G707-G709 PolarHBondContact O-N 3.35Å
708	V	68.6	Low	83	Confident	78 Å²	78	41.1 Å²	41.1	47%	0.473	25%	0.252	S	S	.	.	S	Bend	trans	-94.3	76.2	175.6	-174.8	0	0	0	0	109.2	L703 P704	L703-V708 HydrophobicContact CB-CB 4.15Å; L703-V708 HydrophobicContact CB-CG1 4.49Å; L703-V708 HydrophobicContact CD2-CB 4.36Å; L703-V708 HydrophobicContact CD2-CG2 4.44Å; L703-V708 PolarHBondContact O-N 2.97Å; L703-V708 VanDerWaalsContact O-N 3.09Å; P704-V708 WeakPolarHBondContact CA-O 3.26Å
709	G	70.3	Confident	82.1	Confident	11 Å²	11	38.4 Å²	38.4	11%	0.113	24%	0.239	C	C	.	.	S	Bend	trans	97.7	169.2	-168.5	0	0	0	0	0	112.4	P704 G707	P704-G709 WeakPolarHBondContact CA-O 3.39Å; P704-G709 WeakPolarHBondContact CB-O 3.34Å; G707-G709 PolarHBondContact O-N 3.35Å
710	E	74.1	Confident	80.8	Confident	98 Å²	98	35.9 Å²	35.9	46%	0.458	23%	0.225	S	C	.	.			trans	-127.3	121.4	-178.3	-68.9	-173.5	130.9	0	0	112.1	K457 S713	K457-E710 IonicContact NZ-OE1 2.76Å; K457-E710 PolarHBondContact NZ-OE1 3.08Å; E710-S713 PolarHBondContact O-OG 2.93Å; E710-S713 VanDerWaalsContact O-OG 3.07Å
711	Y	81.8	Confident	79.1	Confident	17 Å²	17	35.2 Å²	35.2	7%	0.067	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	138.8	157.2	-65.2	-58.1	0	0	0	108.8	G646 W647 V650 A701 P704 L705 P719	G646-Y711 VanDerWaalsContact C-CE1 3.41Å; G646-Y711 WeakPolarHBondContact O-CE1 3.32Å; W647-Y711 HydrophobicContact CB-CE2 4.06Å; V650-Y711 HydrophobicContact CG2-CE1 3.89Å; A701-Y711 PolarHBondContact O-OH 3.41Å; A701-Y711 VanDerWaalsContact O-OH 3.08Å; P704-Y711 HydrophobicContact CB-CD2 3.68Å; P704-Y711 HydrophobicContact CB-CE2 3.65Å; P704-Y711 HydrophobicContact CB-CG 4.26Å; P704-Y711 HydrophobicContact CG-CD2 4.2Å; P704-Y711 HydrophobicContact CG-CE1 4.4Å; P704-Y711 HydrophobicContact CG-CE2 3.71Å; L705-Y711 HydrophobicContact CD2-CD2 3.97Å; L705-Y711 HydrophobicContact CD2-CE2 4.34Å; L705-Y711 HydrophobicContact CG-CE2 4.47Å; Y711-P719 HydrophobicContact CE1-CG 4.12Å
712	G	76	Confident	77.5	Confident	18 Å²	18	37.2 Å²	37.2	19%	0.186	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	25	-169.7	0	0	0	0	0	113.9	E637 S714	E637-G712 WeakPolarHBondContact CG-O 3.3Å; E637-G712 VanDerWaalsContact O-CA 3.23Å; E637-G712 WeakPolarHBondContact O-CA 3.47Å; G712-S714 VanDerWaalsContact C-N 3.31Å
713	S	74.9	Confident	75.6	Confident	22 Å²	22	39.5 Å²	39.5	15%	0.154	25%	0.247	C	C	.	.	S	Bend	trans	-84.4	-7.7	164.9	45.1	0	0	0	0	113	E710	E710-S713 PolarHBondContact O-OG 2.93Å; E710-S713 VanDerWaalsContact O-OG 3.07Å
714	S	82.6	Confident	73.9	Confident	7 Å²	7	37.9 Å²	37.9	5%	0.049	24%	0.24	C	C	.	.	S	Bend	trans	-154.2	157.4	170.3	70.9	0	0	0	0	109.1	E637 G712 F716 C717	E637-S714 VanDerWaalsContact OE1-CA 3.3Å; E637-S714 WeakPolarHBondContact OE1-CA 3.24Å; E637-S714 PolarHBondContact OE1-N 3.21Å; E637-S714 VanDerWaalsContact OE1-N 3.14Å; G712-S714 VanDerWaalsContact C-N 3.31Å; S714-F716 PolarHBondContact O-N 3.44Å; S714-C717 PolarHBondContact O-N 3.36Å
715	P	86.2	Confident	72	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-6	-179.4	33.5	-36	0	0	0	113.1	Y480 F553 L559 F629 W636	Y480-P715 WeakPolarHBondContact OH-CB 3.24Å; Y480-P715 VanDerWaalsContact OH-CD 3.27Å; Y480-P715 WeakPolarHBondContact OH-CD 3.49Å; Y480-P715 VanDerWaalsContact OH-CG 3.26Å; Y480-P715 WeakPolarHBondContact OH-CG 3.26Å; F553-P715 WeakPolarHBondContact O-CD 3.48Å; F553-P715 WeakPolarHBondContact O-CG 3.14Å; L559-P715 HydrophobicContact CD1-CB 3.73Å; L559-P715 HydrophobicContact CD1-CG 3.88Å; F629-P715 HydrophobicContact CE1-CB 4.3Å; F629-P715 HydrophobicContact CE1-CG 4.47Å; F629-P715 HydrophobicContact CZ-CB 3.76Å; F629-P715 HydrophobicContact CZ-CG 4.39Å; W636-P715 PolarHBondContact NE1-O 2.9Å
716	F	87.6	Confident	70.1	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.022	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-5.9	168.3	-51.6	-67.7	0	0	0	112.5	F553 L559 L560 S714 L718 K812 L816	F553-F716 HydrophobicContact CD1-CD2 4.17Å; F553-F716 HydrophobicContact CD1-CE2 4.11Å; L559-F716 HydrophobicContact CD1-CD1 3.85Å; L559-F716 HydrophobicContact CD1-CE1 3.47Å; L559-F716 VanDerWaalsContact CD1-CE1 3.47Å; L559-F716 HydrophobicContact CD1-CZ 4.02Å; L559-F716 HydrophobicContact CG-CD1 4.36Å; L559-F716 HydrophobicContact CG-CE1 3.89Å; L559-F716 VanDerWaalsContact O-CE1 3.31Å; L559-F716 WeakPolarHBondContact O-CE1 3.46Å; L559-F716 VanDerWaalsContact O-CZ 3.26Å; L559-F716 WeakPolarHBondContact O-CZ 3.4Å; L560-F716 HydrophobicContact CD2-CE1 4.32Å; S714-F716 PolarHBondContact O-N 3.44Å; F716-L718 HydrophobicContact CB-CD1 4.46Å; F716-L718 HydrophobicContact CB-CG 4.18Å; F716-L718 PolarHBondContact O-N 2.93Å; F716-K812 HydrophobicContact CE2-CD 4.38Å; F716-K812 HydrophobicContact CZ-CD 4.14Å; F716-K812 HydrophobicContact CZ-CG 4.42Å; F716-L816 HydrophobicContact CB-CD2 4.29Å; F716-L816 HydrophobicContact CD1-CD1 3.86Å; F716-L816 HydrophobicContact CD1-CD2 3.8Å; F716-L816 HydrophobicContact CD1-CG 4.41Å; F716-L816 HydrophobicContact CE1-CD1 3.77Å; F716-L816 HydrophobicContact CG-CD2 4.16Å; F716-L816 HydrophobicContact CZ-CD1 4.37Å
717	C	88.2	Confident	68.1	Low	0 Å²	0	38.6 Å²	38.6	0%	0	26%	0.256	C	S	.	.			trans	64.9	5.4	176.3	-43.5	0	0	0	0	115	C642 T645 G646 S714	C642-C717 WeakPolarHBondContact CA-SG 3.37Å; C642-C717 HydrophobicContact CB-CB 4.18Å; C642-C717 WeakPolarHBondContact CB-SG 3.06Å; C642-C717 VanDerWaalsContact O-CB 3.24Å; C642-C717 WeakPolarHBondContact O-CB 3.42Å; C642-C717 WeakPolarHBondContact SG-CA 3.41Å; C642-C717 WeakPolarHBondContact SG-CB 3.5Å; C642-C717 CovalentContact SG-SG 2.03Å; C642-C717 PolarHBondContact SG-SG 3.1Å; T645-C717 HydrophobicContact CG2-CB 4.49Å; G646-C717 WeakPolarHBondContact CA-O 3.48Å; S714-C717 PolarHBondContact O-N 3.36Å
718	L	83.1	Confident	66.5	Low	17 Å²	17	47.7 Å²	47.7	9%	0.089	27%	0.269	C	S	.	.	S	Bend	trans	-76.9	146.5	174.7	-53.4	-177.4	0	0	0	110.2	W649 F716 S720 L815	W649-L718 HydrophobicContact CB-CD2 4.47Å; W649-L718 HydrophobicContact CD2-CD2 3.53Å; W649-L718 VanDerWaalsContact CE2-CD2 3.5Å; W649-L718 HydrophobicContact CE3-CD2 4.11Å; W649-L718 HydrophobicContact CG-CD2 3.66Å; W649-L718 HydrophobicContact CZ2-CD2 4.1Å; F716-L718 HydrophobicContact CB-CD1 4.46Å; F716-L718 HydrophobicContact CB-CG 4.18Å; F716-L718 PolarHBondContact O-N 2.93Å; L718-S720 PolarHBondContact O-N 3.41Å; L718-S720 VanDerWaalsContact O-N 3.09Å; L718-L815 HydrophobicContact CD1-CB 4.4Å
719	P	74.6	Confident	65.3	Low	26 Å²	26	49.7 Å²	49.7	17%	0.169	28%	0.276	C	S	.	.			trans	-59.3	111.5	166.5	-21.6	33.7	0	0	0	110.3	V650 Y711 F735 P736 L739	V650-P719 HydrophobicContact CG2-CG 3.97Å; Y711-P719 HydrophobicContact CE1-CG 4.12Å; P719-F735 HydrophobicContact CB-CD1 4.11Å; P719-F735 HydrophobicContact CB-CE1 4.26Å; P719-F735 HydrophobicContact CG-CD1 4.18Å; P719-F735 HydrophobicContact CG-CE1 3.82Å; P719-P736 HydrophobicContact CB-CB 4.18Å; P719-L739 HydrophobicContact CG-CD1 4.42Å
720	S	65.4	Low	64.4	Low	26 Å²	26	54.1 Å²	54.1	18%	0.182	30%	0.303	C	S	.	.			trans	-66.8	130.6	-177.3	-178.7	0	0	0	0	111.8	L718 L722	L718-S720 PolarHBondContact O-N 3.41Å; L718-S720 VanDerWaalsContact O-N 3.09Å; S720-L722 VanDerWaalsContact C-N 3.28Å; S720-L722 PolarHBondContact OG-N 2.77Å; S720-L722 VanDerWaalsContact OG-N 3.09Å; S720-L722 PolarHBondContact OG-O 2.97Å
721	P	54.8	Low	63.3	Low	13 Å²	13	54 Å²	54	8%	0.084	31%	0.313	C	S	.	.	S	Bend	trans	-82.6	-5.6	167.9	35.5	-35.3	0	0	0	112.7	L800	P721-L800 VanDerWaalsContact O-CD1 3.26Å; P721-L800 WeakPolarHBondContact O-CD1 3.23Å
722	L	58.2	Low	62.2	Low	41 Å²	41	54.8 Å²	54.8	22%	0.215	32%	0.321	C	S	.	.	S	Bend	trans	-91.3	137.1	179.1	-66.1	167.6	0	0	0	110.2	F553 S720 T724	F553-L722 HydrophobicContact CD2-CD1 3.7Å; F553-L722 HydrophobicContact CE2-CD1 3.61Å; F553-L722 HydrophobicContact CG-CD1 4.41Å; F553-L722 HydrophobicContact CZ-CD1 4.26Å; S720-L722 VanDerWaalsContact C-N 3.28Å; S720-L722 PolarHBondContact OG-N 2.77Å; S720-L722 VanDerWaalsContact OG-N 3.09Å; S720-L722 PolarHBondContact OG-O 2.97Å; L722-T724 PolarHBondContact O-N 3.36Å
723	P	51.1	Low	61.8	Low	90 Å²	90	55.9 Å²	55.9	58%	0.584	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-64.9	132.1	176.4	27.7	-34	0	0	0	110.7	L733	P723-L733 HydrophobicContact CB-CD1 4.49Å
724	T	52.4	Low	61.8	Low	36 Å²	36	56.8 Å²	56.8	22%	0.221	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-70.9	135.3	166.4	41.5	0	0	0	0	109.3	L722 S726 S727	L722-T724 PolarHBondContact O-N 3.36Å; T724-S726 PolarHBondContact O-N 2.89Å; T724-S727 PolarHBondContact OG1-OG 2.89Å
725	P	44.7	Very low	61.8	Low	121 Å²	121	57 Å²	57	79%	0.786	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.3	-177	28	-35.8	0	0	0	113.9
726	S	44.4	Very low	61.6	Low	67 Å²	67	57.6 Å²	57.6	47%	0.469	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-19.4	-175.3	50.2	0	0	0	0	115.2	T724	T724-S726 PolarHBondContact O-N 2.89Å
727	S	40.2	Very low	61.3	Low	51 Å²	51	60.6 Å²	60.6	36%	0.357	36%	0.355	S	S	.	.			trans	-103.8	107.1	-172.8	59.3	0	0	0	0	113.4	T724 L729	T724-S727 PolarHBondContact OG1-OG 2.89Å; S727-L729 PolarHBondContact O-N 3.4Å; S727-L729 VanDerWaalsContact O-N 3.15Å
728	R	38.2	Very low	61.1	Low	258 Å²	258	63.4 Å²	63.4	97%	0.974	38%	0.378	S	S	*	.	S	Bend	trans	-67.4	-1.9	168.2	-65.2	-171.9	-173.6	176	5	113.8
729	L	43.3	Very low	61.2	Low	120 Å²	120	63.5 Å²	63.5	63%	0.628	38%	0.378	S	S	*	.	S	Bend	trans	-117.4	138.2	177.6	-79.2	82.9	0	0	0	111.5	S727 S731	S727-L729 PolarHBondContact O-N 3.4Å; S727-L729 VanDerWaalsContact O-N 3.15Å; L729-S731 VanDerWaalsContact C-N 3.27Å; L729-S731 PolarHBondContact O-N 3.37Å
730	P	50.2	Low	61.6	Low	103 Å²	103	63.2 Å²	63.2	67%	0.669	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	15.7	-174.6	35	-38.2	0	0	0	114.9	S732 L733	P730-S732 VanDerWaalsContact C-N 3.35Å; P730-S732 PolarHBondContact O-N 3.18Å; P730-L733 PolarHBondContact O-N 3.49Å
731	S	51.4	Low	62.5	Low	95 Å²	95	66.7 Å²	66.7	66%	0.664	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-33.5	-173.1	46.9	0	0	0	0	113.7	L729 L733 G734	L729-S731 VanDerWaalsContact C-N 3.27Å; L729-S731 PolarHBondContact O-N 3.37Å; S731-L733 PolarHBondContact O-N 2.98Å; S731-G734 PolarHBondContact O-N 2.88Å
732	S	59	Low	64.1	Low	35 Å²	35	68.1 Å²	68.1	25%	0.245	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-36.7	176.9	51.1	0	0	0	0	113.1	P730 G734 P736	P730-S732 VanDerWaalsContact C-N 3.35Å; P730-S732 PolarHBondContact O-N 3.18Å; S732-G734 VanDerWaalsContact C-N 3.32Å; S732-G734 PolarHBondContact O-N 3.38Å; S732-P736 WeakPolarHBondContact O-CD 3.31Å
733	L	67.9	Low	65.4	Low	41 Å²	41	66.4 Å²	66.4	22%	0.215	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.1	-178.4	-63.3	174.1	0	0	0	113.6	P723 P730 S731 F735 P736 L737 L800	P723-L733 HydrophobicContact CB-CD1 4.49Å; P730-L733 PolarHBondContact O-N 3.49Å; S731-L733 PolarHBondContact O-N 2.98Å; L733-F735 PolarHBondContact O-N 2.71Å; L733-P736 WeakPolarHBondContact O-CD 3.42Å; L733-P736 WeakPolarHBondContact O-CG 3.38Å; L733-L737 WeakPolarHBondContact O-CB 3.31Å; L733-L737 PolarHBondContact O-N 2.96Å; L733-L800 HydrophobicContact CD1-CD1 4.45Å; L733-L800 HydrophobicContact CD2-CD1 4.06Å
734	G	74.1	Confident	67	Low	40 Å²	40	64.1 Å²	64.1	41%	0.412	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-37.7	-176.9	0	0	0	0	0	113.7	S731 S732 A738	S731-G734 PolarHBondContact O-N 2.88Å; S732-G734 VanDerWaalsContact C-N 3.32Å; S732-G734 PolarHBondContact O-N 3.38Å; G734-A738 WeakPolarHBondContact O-CB 3.29Å; G734-A738 PolarHBondContact O-N 3.43Å
735	F	83.2	Confident	68.7	Low	13 Å²	13	66.8 Å²	66.8	6%	0.057	38%	0.383	C	S	.	.	H	α-helix	trans	-68.1	-55	-179.8	-178.3	-105.2	0	0	0	113.7	I700 L703 P704 P719 L733 L737 A738 L739	I700-F735 HydrophobicContact CG2-CE2 4.35Å; I700-F735 WeakPolarHBondContact O-CE2 3.43Å; L703-F735 HydrophobicContact CB-CD2 4.34Å; L703-F735 HydrophobicContact CB-CE2 3.93Å; L703-F735 HydrophobicContact CD1-CE2 4.23Å; P704-F735 HydrophobicContact CG-CD1 3.89Å; P704-F735 HydrophobicContact CG-CD2 4.4Å; P704-F735 HydrophobicContact CG-CE1 3.46Å; P704-F735 VanDerWaalsContact CG-CE1 3.46Å; P704-F735 HydrophobicContact CG-CE2 4.03Å; P704-F735 HydrophobicContact CG-CG 4.34Å; P704-F735 HydrophobicContact CG-CZ 3.54Å; P719-F735 HydrophobicContact CB-CD1 4.11Å; P719-F735 HydrophobicContact CB-CE1 4.26Å; P719-F735 HydrophobicContact CG-CD1 4.18Å; P719-F735 HydrophobicContact CG-CE1 3.82Å; L733-F735 PolarHBondContact O-N 2.71Å; F735-L737 VanDerWaalsContact C-N 3.3Å; F735-L737 PolarHBondContact O-N 3.09Å; F735-A738 WeakPolarHBondContact O-CB 3.49Å; F735-A738 PolarHBondContact O-N 2.98Å; F735-A738 VanDerWaalsContact O-N 3.15Å; F735-L739 HydrophobicContact CD1-CD1 4.25Å; F735-L739 HydrophobicContact CE1-CD1 3.72Å; F735-L739 HydrophobicContact CE1-CG 4.42Å; F735-L739 HydrophobicContact CZ-CD1 3.97Å; F735-L739 HydrophobicContact CZ-CD2 4.38Å; F735-L739 HydrophobicContact CZ-CG 4.35Å; F735-L739 PolarHBondContact O-N 3.3Å; F735-L739 VanDerWaalsContact O-N 3.11Å
736	P	80.8	Confident	70.7	Confident	12 Å²	12	61.4 Å²	61.4	8%	0.078	35%	0.349	C	S	.	.	H	α-helix	trans	-61.4	-36.2	177.2	22.4	-32.5	0	0	0	112.7	P719 S732 L733 L739 I740	P719-P736 HydrophobicContact CB-CB 4.18Å; S732-P736 WeakPolarHBondContact O-CD 3.31Å; L733-P736 WeakPolarHBondContact O-CD 3.42Å; L733-P736 WeakPolarHBondContact O-CG 3.38Å; P736-L739 PolarHBondContact O-N 2.97Å; P736-I740 WeakPolarHBondContact O-CG1 3.36Å; P736-I740 PolarHBondContact O-N 2.96Å; P736-I740 VanDerWaalsContact O-N 3.1Å
737	L	81.2	Confident	72.5	Confident	68 Å²	68	59.4 Å²	59.4	36%	0.356	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-42.2	174.1	178.5	58.1	0	0	0	111.9	L733 F735 L739 I740 M741 L797 L800	L733-L737 WeakPolarHBondContact O-CB 3.31Å; L733-L737 PolarHBondContact O-N 2.96Å; F735-L737 VanDerWaalsContact C-N 3.3Å; F735-L737 PolarHBondContact O-N 3.09Å; L737-L739 VanDerWaalsContact C-N 3.34Å; L737-L739 PolarHBondContact O-N 3.32Å; L737-I740 PolarHBondContact O-N 3.41Å; L737-M741 HydrophobicContact CD1-CG 4.19Å; L737-M741 WeakPolarHBondContact O-CG 3.26Å; L737-M741 PolarHBondContact O-N 2.91Å; L737-L797 HydrophobicContact CD1-CD1 4.49Å; L737-L800 HydrophobicContact CB-CD2 4.3Å; L737-L800 HydrophobicContact CD1-CD2 3.92Å
738	A	84.4	Confident	74.7	Confident	58 Å²	58	63.1 Å²	63.1	48%	0.479	35%	0.348	S	S	.	.	H	α-helix	trans	-62.5	-38.5	176.6	0	0	0	0	0	112.5	G734 F735 M741 M742	G734-A738 WeakPolarHBondContact O-CB 3.29Å; G734-A738 PolarHBondContact O-N 3.43Å; F735-A738 WeakPolarHBondContact O-CB 3.49Å; F735-A738 PolarHBondContact O-N 2.98Å; F735-A738 VanDerWaalsContact O-N 3.15Å; A738-M741 PolarHBondContact O-N 3.3Å; A738-M742 WeakPolarHBondContact O-CB 3.49Å; A738-M742 PolarHBondContact O-N 3.43Å
739	L	85.9	Confident	76.9	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.099	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-45	174.2	-65.4	177.8	0	0	0	112	V650 E654 I700 P719 F735 P736 L737 M741 M742 N743	V650-L739 HydrophobicContact CG1-CD1 4.25Å; V650-L739 HydrophobicContact CG1-CD2 4.4Å; V650-L739 HydrophobicContact CG2-CD1 4.49Å; E654-L739 HydrophobicContact CG-CD2 4.17Å; I700-L739 HydrophobicContact CG2-CD2 3.52Å; P719-L739 HydrophobicContact CG-CD1 4.42Å; F735-L739 HydrophobicContact CD1-CD1 4.25Å; F735-L739 HydrophobicContact CE1-CD1 3.72Å; F735-L739 HydrophobicContact CE1-CG 4.42Å; F735-L739 HydrophobicContact CZ-CD1 3.97Å; F735-L739 HydrophobicContact CZ-CD2 4.38Å; F735-L739 HydrophobicContact CZ-CG 4.35Å; F735-L739 PolarHBondContact O-N 3.3Å; F735-L739 VanDerWaalsContact O-N 3.11Å; P736-L739 PolarHBondContact O-N 2.97Å; L737-L739 VanDerWaalsContact C-N 3.34Å; L737-L739 PolarHBondContact O-N 3.32Å; L739-M741 VanDerWaalsContact C-N 3.35Å; L739-M741 PolarHBondContact O-N 2.9Å; L739-M742 PolarHBondContact O-N 3.49Å; L739-N743 WeakPolarHBondContact O-CB 3.15Å; L739-N743 PolarHBondContact O-N 3.48Å; L739-N743 PolarHBondContact O-ND2 3.33Å
740	I	83.1	Confident	78.8	Confident	21 Å²	21	48.9 Å²	48.9	11%	0.108	29%	0.291	C	S	.	.	H	α-helix	trans	-62.6	-43	177.4	-66	166.5	0	0	0	110.6	P736 L737 T744	P736-I740 WeakPolarHBondContact O-CG1 3.36Å; P736-I740 PolarHBondContact O-N 2.96Å; P736-I740 VanDerWaalsContact O-N 3.1Å; L737-I740 PolarHBondContact O-N 3.41Å; I740-T744 WeakPolarHBondContact O-CB 3.3Å; I740-T744 VanDerWaalsContact O-CG2 3.32Å; I740-T744 WeakPolarHBondContact O-CG2 3.4Å; I740-T744 PolarHBondContact O-N 3.03Å; I740-T744 PolarHBondContact O-OG1 2.87Å
741	M	84.8	Confident	80.2	Confident	98 Å²	98	46.8 Å²	46.8	48%	0.483	28%	0.276	S	S	.	.	H	α-helix	trans	-66.1	-40.4	177.5	-70.8	-59.4	-61.2	0	0	112.6	L737 A738 L739 T744 I745	L737-M741 HydrophobicContact CD1-CG 4.19Å; L737-M741 WeakPolarHBondContact O-CG 3.26Å; L737-M741 PolarHBondContact O-N 2.91Å; A738-M741 PolarHBondContact O-N 3.3Å; L739-M741 VanDerWaalsContact C-N 3.35Å; L739-M741 PolarHBondContact O-N 2.9Å; M741-T744 WeakPolarHBondContact CA-OG1 3.27Å; M741-T744 PolarHBondContact O-OG1 3.45Å; M741-T744 VanDerWaalsContact O-OG1 3.06Å; M741-I745 WeakPolarHBondContact O-CD1 3.37Å; M741-I745 VanDerWaalsContact O-CG1 3.26Å; M741-I745 WeakPolarHBondContact O-CG1 3.43Å; M741-I745 PolarHBondContact O-N 2.95Å; M741-I745 VanDerWaalsContact O-N 3.14Å
742	M	87.5	Confident	81.6	Confident	43 Å²	43	44.2 Å²	44.2	21%	0.212	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-46.9	179.6	-170.2	-87.5	-71.6	0	0	111.5	E654 L658 I700 A738 L739 T744 I745 C746	E654-M742 HydrophobicContact CB-CE 4.31Å; E654-M742 HydrophobicContact CG-CE 4.21Å; E654-M742 WeakPolarHBondContact OE2-CE 3.33Å; L658-M742 HydrophobicContact CD1-CE 4.31Å; L658-M742 HydrophobicContact CD1-SD 4.31Å; L658-M742 HydrophobicContact CD2-SD 4.38Å; L658-M742 HydrophobicContact CG-SD 4.41Å; I700-M742 HydrophobicContact CD1-CE 3.98Å; A738-M742 WeakPolarHBondContact O-CB 3.49Å; A738-M742 PolarHBondContact O-N 3.43Å; L739-M742 PolarHBondContact O-N 3.49Å; M742-T744 PolarHBondContact O-N 3.34Å; M742-I745 PolarHBondContact O-N 2.95Å; M742-C746 PolarHBondContact O-N 3.22Å; M742-C746 PolarHBondContact O-SG 3.01Å; M742-C746 VanDerWaalsContact O-SG 3.37Å
743	N	85.8	Confident	82.5	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-64.3	-38.6	177.1	-78.3	-66.6	0	0	0	113.4	E654 V657 L739 C746 L747 Y789	E654-N743 PolarHBondContact OE1-ND2 2.94Å; E654-N743 PolarHBondContact OE2-ND2 2.95Å; V657-N743 WeakPolarHBondContact CB-OD1 3.38Å; V657-N743 WeakPolarHBondContact CG1-OD1 3.41Å; V657-N743 WeakPolarHBondContact CG2-OD1 3.27Å; L739-N743 WeakPolarHBondContact O-CB 3.15Å; L739-N743 PolarHBondContact O-N 3.48Å; L739-N743 PolarHBondContact O-ND2 3.33Å; N743-C746 WeakPolarHBondContact O-CB 3.42Å; N743-C746 PolarHBondContact O-N 3.48Å; N743-L747 WeakPolarHBondContact O-CB 3.48Å; N743-L747 PolarHBondContact O-N 3.27Å; N743-Y789 HydrophobicContact CB-CE1 3.78Å; N743-Y789 HydrophobicContact CB-CE2 4.22Å; N743-Y789 VanDerWaalsContact CB-CZ 3.43Å; N743-Y789 WeakPolarHBondContact CB-OH 3.46Å
744	T	84.8	Confident	82.8	Confident	43 Å²	43	45 Å²	45	26%	0.264	26%	0.264	S	S	.	.	H	α-helix	trans	-66.6	-37.5	176.4	48.4	0	0	0	0	111.8	I740 M741 M742 L747 L748 Y789 A793	I740-T744 WeakPolarHBondContact O-CB 3.3Å; I740-T744 VanDerWaalsContact O-CG2 3.32Å; I740-T744 WeakPolarHBondContact O-CG2 3.4Å; I740-T744 PolarHBondContact O-N 3.03Å; I740-T744 PolarHBondContact O-OG1 2.87Å; M741-T744 WeakPolarHBondContact CA-OG1 3.27Å; M741-T744 PolarHBondContact O-OG1 3.45Å; M741-T744 VanDerWaalsContact O-OG1 3.06Å; M742-T744 PolarHBondContact O-N 3.34Å; T744-L747 PolarHBondContact O-N 2.93Å; T744-L748 WeakPolarHBondContact O-CG 3.43Å; T744-L748 PolarHBondContact O-N 3.4Å; T744-Y789 HydrophobicContact CG2-CE1 4.47Å; T744-A793 HydrophobicContact CG2-CB 4.12Å
745	I	88.1	Confident	83	Confident	91 Å²	91	47.2 Å²	47.2	47%	0.467	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-46.1	170	-69.7	165.1	0	0	0	111.1	M741 M742 L747 L748 I749	M741-I745 WeakPolarHBondContact O-CD1 3.37Å; M741-I745 VanDerWaalsContact O-CG1 3.26Å; M741-I745 WeakPolarHBondContact O-CG1 3.43Å; M741-I745 PolarHBondContact O-N 2.95Å; M741-I745 VanDerWaalsContact O-N 3.14Å; M742-I745 PolarHBondContact O-N 2.95Å; I745-L747 VanDerWaalsContact C-N 3.35Å; I745-L747 PolarHBondContact O-N 3.33Å; I745-L748 PolarHBondContact O-N 3.14Å; I745-I749 HydrophobicContact CG2-CD1 4.02Å; I745-I749 WeakPolarHBondContact O-CG1 3.47Å; I745-I749 PolarHBondContact O-N 3.02Å
746	C	87.3	Confident	82.6	Confident	9 Å²	9	52.7 Å²	52.7	6%	0.061	29%	0.286	C	S	.	.	H	α-helix	trans	-59	-43.8	175.6	-71.1	0	0	0	0	112.3	V657 L658 T661 M742 N743 L748 I749 V750	V657-C746 HydrophobicContact CG1-CB 3.68Å; L658-C746 VanDerWaalsContact CD2-SG 3.59Å; T661-C746 WeakPolarHBondContact OG1-CB 3.3Å; M742-C746 PolarHBondContact O-N 3.22Å; M742-C746 PolarHBondContact O-SG 3.01Å; M742-C746 VanDerWaalsContact O-SG 3.37Å; N743-C746 WeakPolarHBondContact O-CB 3.42Å; N743-C746 PolarHBondContact O-N 3.48Å; C746-L748 VanDerWaalsContact C-N 3.35Å; C746-L748 PolarHBondContact O-N 3.1Å; C746-I749 PolarHBondContact O-N 3.46Å; C746-V750 WeakPolarHBondContact O-CG2 3.06Å; C746-V750 PolarHBondContact O-N 2.89Å
747	L	82.1	Confident	82.2	Confident	25 Å²	25	52.4 Å²	52.4	13%	0.131	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-35.2	177.5	-176.5	61.8	0	0	0	112.7	N743 T744 I745 V750 T751 Y789 I790	N743-L747 WeakPolarHBondContact O-CB 3.48Å; N743-L747 PolarHBondContact O-N 3.27Å; T744-L747 PolarHBondContact O-N 2.93Å; I745-L747 VanDerWaalsContact C-N 3.35Å; I745-L747 PolarHBondContact O-N 3.33Å; L747-V750 PolarHBondContact O-N 3.47Å; L747-T751 VanDerWaalsContact O-CB 3.29Å; L747-T751 WeakPolarHBondContact O-CB 3.32Å; L747-T751 PolarHBondContact O-N 3.36Å; L747-T751 PolarHBondContact O-OG1 3.02Å; L747-Y789 HydrophobicContact CD2-CD1 4.1Å; L747-I790 HydrophobicContact CD2-CD1 4.16Å; L747-I790 HydrophobicContact CD2-CG1 3.57Å
748	L	84.9	Confident	81.7	Confident	128 Å²	128	54.7 Å²	54.7	67%	0.67	29%	0.288	S	S	*	.	H	α-helix	trans	-64.3	-41.7	172.3	-72	169.9	0	0	0	111.6	T744 I745 C746 T751 G752	T744-L748 WeakPolarHBondContact O-CG 3.43Å; T744-L748 PolarHBondContact O-N 3.4Å; I745-L748 PolarHBondContact O-N 3.14Å; C746-L748 VanDerWaalsContact C-N 3.35Å; C746-L748 PolarHBondContact O-N 3.1Å; L748-T751 PolarHBondContact O-N 3.36Å; L748-G752 PolarHBondContact O-N 3.45Å
749	I	85.4	Confident	81	Confident	78 Å²	78	60.5 Å²	60.5	40%	0.4	30%	0.298	S	S	.	.	H	α-helix	trans	-64.1	-44.5	175.5	-65.6	164.8	0	0	0	111	T661 V665 I745 C746 S753	T661-I749 HydrophobicContact CG2-CB 4.16Å; T661-I749 HydrophobicContact CG2-CG2 3.77Å; V665-I749 HydrophobicContact CG2-CG2 3.98Å; I745-I749 HydrophobicContact CG2-CD1 4.02Å; I745-I749 WeakPolarHBondContact O-CG1 3.47Å; I745-I749 PolarHBondContact O-N 3.02Å; C746-I749 PolarHBondContact O-N 3.46Å; I749-S753 VanDerWaalsContact O-CB 3.26Å; I749-S753 WeakPolarHBondContact O-CB 3.46Å; I749-S753 PolarHBondContact O-N 3.43Å; I749-S753 PolarHBondContact O-OG 3.28Å
750	V	83.1	Confident	80.1	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-57.2	-49.4	173.4	165	0	0	0	0	110.9	T661 A664 C746 L747 S753 Y754 I782	T661-V750 HydrophobicContact CG2-CG2 4.24Å; T661-V750 WeakPolarHBondContact OG1-CG2 3.44Å; A664-V750 HydrophobicContact CB-CG1 4.46Å; A664-V750 HydrophobicContact CB-CG2 4.22Å; C746-V750 WeakPolarHBondContact O-CG2 3.06Å; C746-V750 PolarHBondContact O-N 2.89Å; L747-V750 PolarHBondContact O-N 3.47Å; V750-S753 PolarHBondContact O-N 2.98Å; V750-Y754 WeakPolarHBondContact O-CB 3.43Å; V750-Y754 PolarHBondContact O-N 3.48Å; V750-I782 HydrophobicContact CG1-CB 4.17Å; V750-I782 HydrophobicContact CG1-CD1 4.35Å; V750-I782 HydrophobicContact CG1-CG1 3.91Å; V750-I782 HydrophobicContact CG1-CG2 3.42Å; V750-I782 VanDerWaalsContact CG1-CG2 3.42Å
751	T	79.9	Confident	79.2	Confident	58 Å²	58	63.6 Å²	63.6	36%	0.356	31%	0.313	S	S	.	.	H	α-helix	trans	-66	-45.3	-176.5	-57.4	0	0	0	0	111.6	L747 L748 S753 Y754 I755	L747-T751 VanDerWaalsContact O-CB 3.29Å; L747-T751 WeakPolarHBondContact O-CB 3.32Å; L747-T751 PolarHBondContact O-N 3.36Å; L747-T751 PolarHBondContact O-OG1 3.02Å; L748-T751 PolarHBondContact O-N 3.36Å; T751-S753 PolarHBondContact O-N 3.48Å; T751-Y754 PolarHBondContact O-N 3.03Å; T751-I755 HydrophobicContact CG2-CD1 3.94Å; T751-I755 WeakPolarHBondContact O-CG1 3.32Å; T751-I755 PolarHBondContact O-N 3.2Å
752	G	80.3	Confident	78.2	Confident	42 Å²	42	64.6 Å²	64.6	43%	0.433	32%	0.32	S	S	.	.	H	α-helix	trans	-63	-40.9	175.3	0	0	0	0	0	112.8	L748 Y754 R756	L748-G752 PolarHBondContact O-N 3.45Å; G752-Y754 VanDerWaalsContact C-N 3.33Å; G752-Y754 PolarHBondContact O-N 2.94Å; G752-R756 WeakPolarHBondContact O-CB 3.33Å; G752-R756 PolarHBondContact O-N 3.19Å; G752-R756 VanDerWaalsContact O-N 3.09Å
753	S	78.4	Confident	77.2	Confident	25 Å²	25	72.6 Å²	72.6	18%	0.175	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-40	174.6	-58.9	0	0	0	0	111.8	I749 V750 T751 L757	I749-S753 VanDerWaalsContact O-CB 3.26Å; I749-S753 WeakPolarHBondContact O-CB 3.46Å; I749-S753 PolarHBondContact O-N 3.43Å; I749-S753 PolarHBondContact O-OG 3.28Å; V750-S753 PolarHBondContact O-N 2.98Å; T751-S753 PolarHBondContact O-N 3.48Å; S753-L757 WeakPolarHBondContact O-CB 3.2Å; S753-L757 PolarHBondContact O-N 2.67Å
754	Y	75	Confident	75.7	Confident	68 Å²	68	75.5 Å²	75.5	27%	0.267	38%	0.379	S	S	.	.	H	α-helix	trans	-69.2	-46.1	178.1	178.6	-111.4	0	0	0	113.1	V750 T751 G752 R756 L757 Y758 A779 I782	V750-Y754 WeakPolarHBondContact O-CB 3.43Å; V750-Y754 PolarHBondContact O-N 3.48Å; T751-Y754 PolarHBondContact O-N 3.03Å; G752-Y754 VanDerWaalsContact C-N 3.33Å; G752-Y754 PolarHBondContact O-N 2.94Å; Y754-R756 VanDerWaalsContact C-N 3.29Å; Y754-R756 PolarHBondContact O-N 3.07Å; Y754-L757 PolarHBondContact O-N 2.98Å; Y754-Y758 WeakPolarHBondContact O-CB 3.24Å; Y754-Y758 PolarHBondContact O-N 3.48Å; Y754-A779 HydrophobicContact CD2-CB 4.39Å; Y754-A779 HydrophobicContact CE2-CB 3.57Å; Y754-I782 HydrophobicContact CD2-CG2 4.44Å; Y754-I782 HydrophobicContact CG-CG2 4.11Å
755	I	76.6	Confident	74.1	Confident	86 Å²	86	81 Å²	81	44%	0.441	40%	0.402	S	S	.	.	H	α-helix	trans	-58	-44.7	176.1	-69.8	165.8	0	0	0	110.3	T751 Y758 W759	T751-I755 HydrophobicContact CG2-CD1 3.94Å; T751-I755 WeakPolarHBondContact O-CG1 3.32Å; T751-I755 PolarHBondContact O-N 3.2Å; I755-Y758 PolarHBondContact O-N 3.04Å; I755-W759 PolarHBondContact O-N 3.28Å
756	R	76.1	Confident	72.4	Confident	128 Å²	128	79.6 Å²	79.6	48%	0.483	40%	0.399	S	S	.	.	H	α-helix	trans	-60.1	-48.7	175.1	178.4	176.3	171	-175.7	-7.9	111.9	T672 G752 Y754 Y758 W759 E760	T672-R756 PolarHBondContact OG1-NH2 2.97Å; G752-R756 WeakPolarHBondContact O-CB 3.33Å; G752-R756 PolarHBondContact O-N 3.19Å; G752-R756 VanDerWaalsContact O-N 3.09Å; Y754-R756 VanDerWaalsContact C-N 3.29Å; Y754-R756 PolarHBondContact O-N 3.07Å; R756-Y758 VanDerWaalsContact C-N 3.3Å; R756-Y758 PolarHBondContact O-N 3.37Å; R756-W759 PolarHBondContact O-N 2.75Å; R756-E760 WeakPolarHBondContact CG-OE1 3.4Å; R756-E760 IonicContact CZ-OE1 3.35Å; R756-E760 IonicContact NE-OE1 2.74Å; R756-E760 PolarHBondContact NE-OE1 3.42Å; R756-E760 IonicContact NH2-OE1 3.03Å; R756-E760 PolarHBondContact NH2-OE1 3.43Å; R756-E760 WeakPolarHBondContact O-CB 3.3Å; R756-E760 WeakPolarHBondContact O-CG 3.36Å; R756-E760 PolarHBondContact O-N 3.22Å
757	L	71.8	Confident	70.4	Confident	6 Å²	6	89 Å²	89	3%	0.031	44%	0.442	C	S	.	.	H	α-helix	trans	-60	-40.1	178.9	-176.7	60.1	0	0	0	111.9	C667 V671 S753 Y754 E760 L761 I775	C667-L757 HydrophobicContact CB-CD2 4.03Å; V671-L757 HydrophobicContact CG2-CD1 3.87Å; S753-L757 WeakPolarHBondContact O-CB 3.2Å; S753-L757 PolarHBondContact O-N 2.67Å; Y754-L757 PolarHBondContact O-N 2.98Å; L757-E760 PolarHBondContact O-N 3.08Å; L757-L761 HydrophobicContact CG-CD1 4.38Å; L757-L761 WeakPolarHBondContact O-CG 3.27Å; L757-L761 PolarHBondContact O-N 3.29Å; L757-I775 HydrophobicContact CD2-CG2 4.26Å
758	Y	70.7	Confident	69	Low	116 Å²	116	91.3 Å²	91.3	46%	0.455	47%	0.472	S	S	.	.	H	α-helix	trans	-66.6	-43.6	176.6	-175.6	-102.7	0	0	0	112.5	Y754 I755 R756 L761 L762	Y754-Y758 WeakPolarHBondContact O-CB 3.24Å; Y754-Y758 PolarHBondContact O-N 3.48Å; I755-Y758 PolarHBondContact O-N 3.04Å; R756-Y758 VanDerWaalsContact C-N 3.3Å; R756-Y758 PolarHBondContact O-N 3.37Å; Y758-L761 PolarHBondContact O-N 3.38Å; Y758-L762 HydrophobicContact CD1-CD1 4.27Å; Y758-L762 HydrophobicContact CD2-CD1 4.42Å; Y758-L762 HydrophobicContact CE1-CD1 3.77Å; Y758-L762 HydrophobicContact CE1-CD2 4.25Å; Y758-L762 HydrophobicContact CE2-CD1 3.94Å; Y758-L762 PolarHBondContact O-N 3.37Å
759	W	70.7	Confident	67.2	Low	180 Å²	180	91.9 Å²	91.9	68%	0.682	48%	0.475	S	S	*	.	H	α-helix	trans	-64.1	-37.3	172.7	-81.4	14	0	0	0	113	I755 R756 L761 L762 R763	I755-W759 PolarHBondContact O-N 3.28Å; R756-W759 PolarHBondContact O-N 2.75Å; W759-L761 VanDerWaalsContact C-N 3.32Å; W759-L762 PolarHBondContact O-N 2.92Å; W759-R763 PolarHBondContact O-N 3.09Å
760	E	65.9	Low	65.3	Low	32 Å²	32	100.2 Å²	100.2	15%	0.15	50%	0.502	C	S	.	.	H	α-helix	trans	-71.4	-25	176.8	-75.9	-168.3	-139.1	0	0	113.3	R675 R756 L757	R675-E760 IonicContact NH1-OE2 2.78Å; R675-E760 PolarHBondContact NH1-OE2 3.39Å; R675-E760 PolarHBondContact NH2-O 3.03Å; R756-E760 WeakPolarHBondContact CG-OE1 3.4Å; R756-E760 IonicContact CZ-OE1 3.35Å; R756-E760 IonicContact NE-OE1 2.74Å; R756-E760 PolarHBondContact NE-OE1 3.42Å; R756-E760 IonicContact NH2-OE1 3.03Å; R756-E760 PolarHBondContact NH2-OE1 3.43Å; R756-E760 WeakPolarHBondContact O-CB 3.3Å; R756-E760 WeakPolarHBondContact O-CG 3.36Å; R756-E760 PolarHBondContact O-N 3.22Å; L757-E760 PolarHBondContact O-N 3.08Å
761	L	64.8	Low	63.8	Low	72 Å²	72	103.9 Å²	103.9	38%	0.377	52%	0.521	S	S	.	.	H	α-helix	trans	-76.1	-42	169.8	-80.3	161.8	0	0	0	112.3	L757 Y758 W759 R763 G764 I775	L757-L761 HydrophobicContact CG-CD1 4.38Å; L757-L761 WeakPolarHBondContact O-CG 3.27Å; L757-L761 PolarHBondContact O-N 3.29Å; Y758-L761 PolarHBondContact O-N 3.38Å; W759-L761 VanDerWaalsContact C-N 3.32Å; L761-R763 PolarHBondContact O-N 2.89Å; L761-R763 VanDerWaalsContact O-N 3.1Å; L761-G764 PolarHBondContact O-N 3.46Å; L761-G764 VanDerWaalsContact O-N 3.16Å; L761-I775 HydrophobicContact CD1-CG2 4.16Å
762	L	64.1	Low	62.6	Low	119 Å²	119	103.7 Å²	103.7	62%	0.623	52%	0.522	S	S	*	.	H	α-helix	trans	-62.3	-16.3	178.4	-111.1	71.3	0	0	0	114	Y758 W759 G764	Y758-L762 HydrophobicContact CD1-CD1 4.27Å; Y758-L762 HydrophobicContact CD2-CD1 4.42Å; Y758-L762 HydrophobicContact CE1-CD1 3.77Å; Y758-L762 HydrophobicContact CE1-CD2 4.25Å; Y758-L762 HydrophobicContact CE2-CD1 3.94Å; Y758-L762 PolarHBondContact O-N 3.37Å; W759-L762 PolarHBondContact O-N 2.92Å; L762-G764 VanDerWaalsContact C-N 3.31Å; L762-G764 PolarHBondContact O-N 2.96Å
763	R	65.1	Low	61.5	Low	211 Å²	211	104.7 Å²	104.7	80%	0.796	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-1.6	175.7	-76.4	-174.9	174	-179.7	-1.3	115.3	W759 L761	W759-R763 PolarHBondContact O-N 3.09Å; L761-R763 PolarHBondContact O-N 2.89Å; L761-R763 VanDerWaalsContact O-N 3.1Å
764	G	55.8	Low	60.6	Low	66 Å²	66	104.6 Å²	104.6	68%	0.68	52%	0.523	S	S	*	.			trans	83	17.6	154	0	0	0	0	0	119.1	L761 L762	L761-G764 PolarHBondContact O-N 3.46Å; L761-G764 VanDerWaalsContact O-N 3.16Å; L762-G764 VanDerWaalsContact C-N 3.31Å; L762-G764 PolarHBondContact O-N 2.96Å
765	E	50	Low	60.1	Low	159 Å²	159	103 Å²	103	74%	0.743	52%	0.519	S	S	*	.			trans	-123.1	69.4	-178.5	-65.8	-177	150.2	0	0	112.5
766	C	51.8	Low	59.6	Low	62 Å²	62	105.7 Å²	105.7	42%	0.419	53%	0.527	S	S	.	.			trans	-147.1	38.3	-175.7	-90.1	0	0	0	0	115.6
767	E	45.9	Very low	59.2	Low	206 Å²	206	100.1 Å²	100.1	96%	0.963	51%	0.507	S	S	*	.	S	Bend	trans	-83.9	-13.6	175.7	-62.4	-162.1	133	0	0	114.5
768	G	53.4	Low	59	Low	74 Å²	74	100 Å²	100	76%	0.763	51%	0.507	S	S	*	.	S	Bend	trans	-97.2	-3.9	-164.5	0	0	0	0	0	118.4
769	L	46.2	Very low	59	Low	140 Å²	140	95.3 Å²	95.3	73%	0.733	49%	0.492	S	S	*	.	S	Bend	trans	-131.1	135.3	-169.4	-81.3	132.4	0	0	0	114.5	D771	L769-D771 PolarHBondContact O-N 3.35Å
770	W	45.9	Very low	59.1	Low	252 Å²	252	92.6 Å²	92.6	96%	0.955	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	96.9	172.8	-70.3	71.6	0	0	0	110.9
771	D	51.6	Low	59.4	Low	79 Å²	79	91.4 Å²	91.4	42%	0.422	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	171.8	15.6	147.1	-97.3	-15.4	0	0	0	114	L769 A773 M774 I775	L769-D771 PolarHBondContact O-N 3.35Å; D771-A773 CarbonylContact O-C 3.55Å; D771-A773 PolarHBondContact O-N 3.33Å; D771-M774 HydrophobicContact CB-CB 4.1Å; D771-M774 HydrophobicContact CB-CG 4.48Å; D771-M774 PolarHBondContact O-N 3.19Å; D771-M774 WeakPolarHBondContact OD1-CG 3.4Å; D771-I775 PolarHBondContact O-N 3.01Å
772	C	54.8	Low	59.8	Low	55 Å²	55	88.4 Å²	88.4	37%	0.372	46%	0.46	S	S	.	.	H	α-helix	trans	-54.8	-21.5	174.4	-77.1	0	0	0	0	114.6	K776	C772-K776 WeakPolarHBondContact O-CD 3.49Å; C772-K776 WeakPolarHBondContact O-CG 3.49Å
773	A	57.6	Low	60.4	Low	63 Å²	63	87.9 Å²	87.9	52%	0.521	45%	0.453	S	S	.	.	H	α-helix	trans	-73.1	-54.9	167.5	0	0	0	0	0	111.7	D771 I775 K776 H777	D771-A773 CarbonylContact O-C 3.55Å; D771-A773 PolarHBondContact O-N 3.33Å; A773-I775 VanDerWaalsContact C-N 3.31Å; A773-I775 PolarHBondContact O-N 3.41Å; A773-K776 WeakPolarHBondContact O-CA 3.48Å; A773-K776 WeakPolarHBondContact O-CB 3.5Å; A773-K776 PolarHBondContact O-N 2.98Å; A773-H777 PolarHBondContact O-N 3.06Å; A773-H777 VanDerWaalsContact O-N 3.09Å; A773-H777 PolarHBondContact O-ND1 3.33Å
774	M	59.6	Low	61.1	Low	22 Å²	22	78.9 Å²	78.9	11%	0.108	42%	0.421	C	S	.	.	H	α-helix	trans	-59.4	-38	-178.6	-67.1	-63.9	-67.2	0	0	112.7	L597 D771 K776 H777 V778 F830	L597-M774 HydrophobicContact CD2-CB 3.89Å; L597-M774 HydrophobicContact CD2-CE 3.75Å; L597-M774 HydrophobicContact CG-CE 4.05Å; D771-M774 HydrophobicContact CB-CB 4.1Å; D771-M774 HydrophobicContact CB-CG 4.48Å; D771-M774 PolarHBondContact O-N 3.19Å; D771-M774 WeakPolarHBondContact OD1-CG 3.4Å; M774-K776 VanDerWaalsContact C-N 3.29Å; M774-K776 PolarHBondContact O-N 3.43Å; M774-H777 WeakPolarHBondContact O-CB 3.41Å; M774-H777 PolarHBondContact O-N 3.34Å; M774-H777 VanDerWaalsContact O-N 3.08Å; M774-V778 PolarHBondContact O-N 3.16Å; M774-F830 HydrophobicContact CE-CE2 4.48Å
775	I	64.1	Low	62.1	Low	35 Å²	35	76.5 Å²	76.5	18%	0.179	39%	0.393	C	S	.	.	H	α-helix	trans	-60.3	-40	174.5	-67.9	169.3	0	0	0	111	L757 L761 D771 A773 V778 A779	L757-I775 HydrophobicContact CD2-CG2 4.26Å; L761-I775 HydrophobicContact CD1-CG2 4.16Å; D771-I775 PolarHBondContact O-N 3.01Å; A773-I775 VanDerWaalsContact C-N 3.31Å; A773-I775 PolarHBondContact O-N 3.41Å; I775-V778 PolarHBondContact O-N 3.1Å; I775-A779 WeakPolarHBondContact O-CB 3.43Å; I775-A779 PolarHBondContact O-N 3.32Å
776	K	65.9	Low	63.3	Low	143 Å²	143	69.3 Å²	69.3	62%	0.622	36%	0.362	S	S	*	.	H	α-helix	trans	-68.1	-31.6	174.2	-68.7	173	-177.5	179.3	0	112.7	C772 A773 M774 W780	C772-K776 WeakPolarHBondContact O-CD 3.49Å; C772-K776 WeakPolarHBondContact O-CG 3.49Å; A773-K776 WeakPolarHBondContact O-CA 3.48Å; A773-K776 WeakPolarHBondContact O-CB 3.5Å; A773-K776 PolarHBondContact O-N 2.98Å; M774-K776 VanDerWaalsContact C-N 3.29Å; M774-K776 PolarHBondContact O-N 3.43Å; K776-W780 VanDerWaalsContact O-CD1 3.24Å; K776-W780 PolarHBondContact O-N 3.39Å; K776-W780 VanDerWaalsContact O-N 3.08Å
777	H	67.8	Low	64.7	Low	10 Å²	10	71.4 Å²	71.4	5%	0.046	37%	0.368	C	S	.	.	H	α-helix	trans	-64.4	-49.2	173	-64.8	51.5	0	0	0	110.6	A773 M774 A779 W780 L781 F833 T834	A773-H777 PolarHBondContact O-N 3.06Å; A773-H777 VanDerWaalsContact O-N 3.09Å; A773-H777 PolarHBondContact O-ND1 3.33Å; M774-H777 WeakPolarHBondContact O-CB 3.41Å; M774-H777 PolarHBondContact O-N 3.34Å; M774-H777 VanDerWaalsContact O-N 3.08Å; H777-A779 VanDerWaalsContact C-N 3.32Å; H777-A779 PolarHBondContact O-N 2.88Å; H777-W780 PolarHBondContact O-N 3.41Å; H777-L781 WeakPolarHBondContact O-CG 3.34Å; H777-L781 PolarHBondContact O-N 2.78Å; H777-F833 VanDerWaalsContact CE1-C 3.44Å; H777-F833 WeakPolarHBondContact CE1-CB 3.44Å; H777-F833 PolarHBondContact CE1-O 3.39Å; H777-F833 VanDerWaalsContact CE1-O 3.28Å; H777-F833 VanDerWaalsContact NE2-CB 3.35Å; H777-F833 WeakPolarHBondContact NE2-CB 3.49Å; H777-F833 PolarHBondContact NE2-O 2.92Å; H777-T834 VanDerWaalsContact NE2-CG2 3.3Å; H777-T834 WeakPolarHBondContact NE2-CG2 3.24Å; H777-T834 PolarHBondContact NE2-N 3.39Å
778	V	68.1	Low	66.5	Low	5 Å²	5	62.7 Å²	62.7	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-63.4	-38.8	179.9	178.5	0	0	0	0	111	L597 M774 I775 L781 I782	L597-V778 HydrophobicContact CD1-CG2 3.82Å; L597-V778 HydrophobicContact CD2-CG2 3.98Å; L597-V778 HydrophobicContact CG-CG2 4.44Å; M774-V778 PolarHBondContact O-N 3.16Å; I775-V778 PolarHBondContact O-N 3.1Å; V778-L781 PolarHBondContact O-N 3.03Å; V778-I782 HydrophobicContact CG1-CD1 3.81Å; V778-I782 HydrophobicContact CG1-CG1 4.37Å; V778-I782 WeakPolarHBondContact O-CB 3.4Å; V778-I782 VanDerWaalsContact O-CG1 3.27Å; V778-I782 WeakPolarHBondContact O-CG1 3.38Å; V778-I782 PolarHBondContact O-N 3.02Å
779	A	69.9	Low	67.7	Low	17 Å²	17	61.4 Å²	61.4	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-57.2	-48.8	171.8	0	0	0	0	0	112.8	Y754 I775 H777 I782 F783	Y754-A779 HydrophobicContact CD2-CB 4.39Å; Y754-A779 HydrophobicContact CE2-CB 3.57Å; I775-A779 WeakPolarHBondContact O-CB 3.43Å; I775-A779 PolarHBondContact O-N 3.32Å; H777-A779 VanDerWaalsContact C-N 3.32Å; H777-A779 PolarHBondContact O-N 2.88Å; A779-I782 PolarHBondContact O-N 2.74Å; A779-F783 WeakPolarHBondContact O-CB 3.4Å; A779-F783 PolarHBondContact O-N 2.89Å
780	W	73.5	Confident	69.3	Low	122 Å²	122	59.5 Å²	59.5	46%	0.462	29%	0.29	S	S	.	.	H	α-helix	trans	-66	-40.1	178.2	-85	113.9	0	0	0	112.9	K776 H777 F783 T784 F833	K776-W780 VanDerWaalsContact O-CD1 3.24Å; K776-W780 PolarHBondContact O-N 3.39Å; K776-W780 VanDerWaalsContact O-N 3.08Å; H777-W780 PolarHBondContact O-N 3.41Å; W780-F783 HydrophobicContact CE3-CD1 4.07Å; W780-F783 AromaticContact CZ3-CD1 3.89Å; W780-F783 HydrophobicContact CZ3-CD1 3.89Å; W780-F783 HydrophobicContact CZ3-CE1 4.2Å; W780-F783 PolarHBondContact O-N 2.89Å; W780-T784 PolarHBondContact O-N 3.29Å; W780-T784 PolarHBondContact O-OG1 3Å; W780-T784 VanDerWaalsContact O-OG1 3.05Å; W780-F833 HydrophobicContact CB-CE2 4.23Å; W780-F833 AromaticContact CD1-CE2 3.68Å; W780-F833 AromaticContact CD1-CZ 3.67Å; W780-F833 AromaticContact CG-CE2 3.92Å; W780-F833 HydrophobicContact CG-CE2 3.92Å; W780-F833 HydrophobicContact CG-CZ 4.2Å; W780-F833 AromaticContact NE1-CZ 3.75Å
781	L	72.3	Confident	70.9	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-49.9	174	-71.1	162.8	0	0	0	111	M604 H777 V778 F783 T784 N785 N826 L829	M604-L781 HydrophobicContact CE-CD1 4.24Å; M604-L781 HydrophobicContact CE-CD2 4.35Å; H777-L781 WeakPolarHBondContact O-CG 3.34Å; H777-L781 PolarHBondContact O-N 2.78Å; V778-L781 PolarHBondContact O-N 3.03Å; L781-F783 VanDerWaalsContact C-N 3.3Å; L781-F783 PolarHBondContact O-N 3.47Å; L781-T784 PolarHBondContact O-N 3.49Å; L781-T784 PolarHBondContact O-OG1 3.49Å; L781-N785 WeakPolarHBondContact O-CB 3.47Å; L781-N785 PolarHBondContact O-N 3.33Å; L781-N785 PolarHBondContact O-ND2 2.77Å; L781-N826 HydrophobicContact CD2-CB 4.06Å; L781-N826 WeakPolarHBondContact CD2-OD1 3.26Å; L781-L829 HydrophobicContact CD2-CB 4.24Å; L781-L829 HydrophobicContact CD2-CD1 4.1Å
782	I	73.3	Confident	72.2	Confident	9 Å²	9	46.4 Å²	46.4	5%	0.046	24%	0.242	C	C	.	.	H	α-helix	trans	-54.6	-47.9	175.7	-75	168.5	0	0	0	111	L660 A664 V750 Y754 V778 A779 G786	L660-I782 HydrophobicContact CD1-CG1 3.89Å; L660-I782 HydrophobicContact CG-CG1 4.44Å; A664-I782 HydrophobicContact CB-CD1 3.64Å; A664-I782 HydrophobicContact CB-CG1 4.45Å; V750-I782 HydrophobicContact CG1-CB 4.17Å; V750-I782 HydrophobicContact CG1-CD1 4.35Å; V750-I782 HydrophobicContact CG1-CG1 3.91Å; V750-I782 HydrophobicContact CG1-CG2 3.42Å; V750-I782 VanDerWaalsContact CG1-CG2 3.42Å; Y754-I782 HydrophobicContact CD2-CG2 4.44Å; Y754-I782 HydrophobicContact CG-CG2 4.11Å; V778-I782 HydrophobicContact CG1-CD1 3.81Å; V778-I782 HydrophobicContact CG1-CG1 4.37Å; V778-I782 WeakPolarHBondContact O-CB 3.4Å; V778-I782 VanDerWaalsContact O-CG1 3.27Å; V778-I782 WeakPolarHBondContact O-CG1 3.38Å; V778-I782 PolarHBondContact O-N 3.02Å; A779-I782 PolarHBondContact O-N 2.74Å; I782-G786 PolarHBondContact O-N 3.01Å
783	F	76.2	Confident	73.3	Confident	108 Å²	108	44.2 Å²	44.2	47%	0.474	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-47.9	-178.8	-179.2	-102.2	0	0	0	112.7	A779 W780 L781 L787	A779-F783 WeakPolarHBondContact O-CB 3.4Å; A779-F783 PolarHBondContact O-N 2.89Å; W780-F783 HydrophobicContact CE3-CD1 4.07Å; W780-F783 AromaticContact CZ3-CD1 3.89Å; W780-F783 HydrophobicContact CZ3-CD1 3.89Å; W780-F783 HydrophobicContact CZ3-CE1 4.2Å; W780-F783 PolarHBondContact O-N 2.89Å; L781-F783 VanDerWaalsContact C-N 3.3Å; L781-F783 PolarHBondContact O-N 3.47Å; F783-L787 WeakPolarHBondContact O-CB 3.39Å; F783-L787 PolarHBondContact O-N 3.21Å
784	T	78.8	Confident	74.4	Confident	22 Å²	22	46.8 Å²	46.8	14%	0.135	23%	0.227	C	C	.	.	H	α-helix	trans	-73	-35.3	-177.4	54	0	0	0	0	113.4	W780 L781 L788 L829	W780-T784 PolarHBondContact O-N 3.29Å; W780-T784 PolarHBondContact O-OG1 3Å; W780-T784 VanDerWaalsContact O-OG1 3.05Å; L781-T784 PolarHBondContact O-N 3.49Å; L781-T784 PolarHBondContact O-OG1 3.49Å; T784-L788 WeakPolarHBondContact O-CG 3.23Å; T784-L788 PolarHBondContact O-N 2.83Å; T784-L829 HydrophobicContact CG2-CD1 4Å; T784-L829 VanDerWaalsContact OG1-CD1 3.29Å; T784-L829 WeakPolarHBondContact OG1-CD1 3.47Å
785	N	78.1	Confident	75.2	Confident	16 Å²	16	47.6 Å²	47.6	9%	0.086	23%	0.232	C	C	.	.	H	α-helix	trans	-69	-42.1	175	-72.6	-106.5	0	0	0	110.3	L660 L781 L788 Y789 P822 N826	L660-N785 HydrophobicContact CD2-CB 3.56Å; L781-N785 WeakPolarHBondContact O-CB 3.47Å; L781-N785 PolarHBondContact O-N 3.33Å; L781-N785 PolarHBondContact O-ND2 2.77Å; N785-L788 PolarHBondContact O-N 3.14Å; N785-Y789 WeakPolarHBondContact O-CB 3.37Å; N785-Y789 PolarHBondContact O-N 2.98Å; N785-P822 VanDerWaalsContact OD1-CB 3.3Å; N785-P822 WeakPolarHBondContact OD1-CB 3.45Å; N785-N826 PolarHBondContact ND2-OD1 3.41Å; N785-N826 PolarHBondContact OD1-ND2 3.02Å; N785-N826 VanDerWaalsContact OD1-ND2 3.1Å
786	G	75.4	Confident	75.7	Confident	8 Å²	8	46.3 Å²	46.3	8%	0.082	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-45.4	175.6	0	0	0	0	0	113.2	I782 L788 Y789 I790	I782-G786 PolarHBondContact O-N 3.01Å; G786-L788 PolarHBondContact O-N 3.42Å; G786-Y789 PolarHBondContact O-N 3.21Å; G786-I790 WeakPolarHBondContact O-CD1 3.3Å; G786-I790 VanDerWaalsContact O-CG1 3.28Å; G786-I790 WeakPolarHBondContact O-CG1 3.21Å; G786-I790 PolarHBondContact O-N 3.03Å; G786-I790 VanDerWaalsContact O-N 3.13Å
787	L	81.4	Confident	76.1	Confident	106 Å²	106	42.4 Å²	42.4	56%	0.555	21%	0.212	S	C	*	.	H	α-helix	trans	-57.9	-35.6	177.9	-170.2	76.4	0	0	0	112.7	F783 P791	F783-L787 WeakPolarHBondContact O-CB 3.39Å; F783-L787 PolarHBondContact O-N 3.21Å; L787-P791 WeakPolarHBondContact O-CD 3.31Å
788	L	82.3	Confident	76.5	Confident	23 Å²	23	42.5 Å²	42.5	12%	0.12	21%	0.213	C	C	.	.	H	α-helix	trans	-86.1	-31.4	-179.2	-67.3	176.3	0	0	0	113.4	T784 N785 G786 L818 L821 P822 L825	T784-L788 WeakPolarHBondContact O-CG 3.23Å; T784-L788 PolarHBondContact O-N 2.83Å; N785-L788 PolarHBondContact O-N 3.14Å; G786-L788 PolarHBondContact O-N 3.42Å; L788-L818 HydrophobicContact CD2-CD1 3.83Å; L788-L818 HydrophobicContact CD2-CG 4.31Å; L788-L821 HydrophobicContact CD1-CB 4.17Å; L788-L821 HydrophobicContact CD1-CD2 3.93Å; L788-L821 HydrophobicContact CD1-CG 4.01Å; L788-L821 HydrophobicContact CD2-CD2 3.89Å; L788-P822 HydrophobicContact CB-CG 4.14Å; L788-P822 HydrophobicContact CD1-CG 3.9Å; L788-L825 HydrophobicContact CD1-CD1 3.73Å
789	Y	79.7	Confident	76.7	Confident	48 Å²	48	43.5 Å²	43.5	19%	0.188	22%	0.221	C	C	.	.	H	α-helix	trans	-75.9	-38.1	-179.8	-167.3	-94	0	0	0	113.1	N743 T744 L747 N785 G786 V792 A793	N743-Y789 HydrophobicContact CB-CE1 3.78Å; N743-Y789 HydrophobicContact CB-CE2 4.22Å; N743-Y789 VanDerWaalsContact CB-CZ 3.43Å; N743-Y789 WeakPolarHBondContact CB-OH 3.46Å; T744-Y789 HydrophobicContact CG2-CE1 4.47Å; L747-Y789 HydrophobicContact CD2-CD1 4.1Å; N785-Y789 WeakPolarHBondContact O-CB 3.37Å; N785-Y789 PolarHBondContact O-N 2.98Å; G786-Y789 PolarHBondContact O-N 3.21Å; Y789-V792 PolarHBondContact O-N 3.44Å; Y789-V792 VanDerWaalsContact O-N 3.16Å; Y789-A793 HydrophobicContact CD1-CB 4.08Å; Y789-A793 HydrophobicContact CE1-CB 3.59Å; Y789-A793 PolarHBondContact O-N 3.26Å
790	I	79.3	Confident	76.6	Confident	99 Å²	99	44.6 Å²	44.6	51%	0.508	22%	0.224	S	C	.	.	H	α-helix	trans	-56.2	-47.8	-176.5	-69.4	165.3	0	0	0	112.7	L747 G786 V792 F794	L747-I790 HydrophobicContact CD2-CD1 4.16Å; L747-I790 HydrophobicContact CD2-CG1 3.57Å; G786-I790 WeakPolarHBondContact O-CD1 3.3Å; G786-I790 VanDerWaalsContact O-CG1 3.28Å; G786-I790 WeakPolarHBondContact O-CG1 3.21Å; G786-I790 PolarHBondContact O-N 3.03Å; G786-I790 VanDerWaalsContact O-N 3.13Å; I790-V792 PolarHBondContact O-N 3.18Å; I790-F794 VanDerWaalsContact O-CB 3.31Å; I790-F794 WeakPolarHBondContact O-CB 3.48Å; I790-F794 PolarHBondContact O-N 3.47Å
791	P	80.2	Confident	76.4	Confident	50 Å²	50	43.9 Å²	43.9	33%	0.325	23%	0.228	S	C	.	.	H	α-helix	trans	-61.6	-42	176.3	-24.1	34.6	0	0	0	113.2	L787 F794 L795 L818	L787-P791 WeakPolarHBondContact O-CD 3.31Å; P791-F794 PolarHBondContact O-N 3.01Å; P791-L795 VanDerWaalsContact O-CB 3.31Å; P791-L795 WeakPolarHBondContact O-CB 3.47Å; P791-L795 WeakPolarHBondContact O-CD1 3.49Å; P791-L795 WeakPolarHBondContact O-CG 3.29Å; P791-L795 PolarHBondContact O-N 2.9Å; P791-L818 HydrophobicContact CB-CD2 3.96Å; P791-L818 HydrophobicContact CG-CD2 4.42Å
792	V	78.8	Confident	76.1	Confident	6 Å²	6	46.6 Å²	46.6	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-47.6	-179.7	-179.3	0	0	0	0	110.7	Y789 I790 S796 V814 L815 L818 Q819	Y789-V792 PolarHBondContact O-N 3.44Å; Y789-V792 VanDerWaalsContact O-N 3.16Å; I790-V792 PolarHBondContact O-N 3.18Å; V792-S796 VanDerWaalsContact O-CB 3.26Å; V792-S796 WeakPolarHBondContact O-CB 3.3Å; V792-S796 PolarHBondContact O-N 3.42Å; V792-S796 PolarHBondContact O-OG 3.44Å; V792-V814 HydrophobicContact CG2-CG1 4.18Å; V792-L815 HydrophobicContact CG1-CD2 4.15Å; V792-L818 HydrophobicContact CG2-CB 3.9Å; V792-L818 HydrophobicContact CG2-CD2 3.95Å; V792-L818 HydrophobicContact CG2-CG 4.14Å; V792-Q819 HydrophobicContact CG1-CB 4.48Å
793	A	76.9	Confident	75.8	Confident	9 Å²	9	52 Å²	52	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-43.8	178.9	0	0	0	0	0	112.4	T744 Y789 L797	T744-A793 HydrophobicContact CG2-CB 4.12Å; Y789-A793 HydrophobicContact CD1-CB 4.08Å; Y789-A793 HydrophobicContact CE1-CB 3.59Å; Y789-A793 PolarHBondContact O-N 3.26Å; A793-L797 VanDerWaalsContact O-CB 3.28Å; A793-L797 WeakPolarHBondContact O-CB 3.32Å; A793-L797 PolarHBondContact O-N 2.8Å
794	F	80.5	Confident	75.3	Confident	118 Å²	118	50.7 Å²	50.7	52%	0.518	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-51.2	178	177.6	-99.4	0	0	0	111.9	I790 P791 S796 L797 C798 L804	I790-F794 VanDerWaalsContact O-CB 3.31Å; I790-F794 WeakPolarHBondContact O-CB 3.48Å; I790-F794 PolarHBondContact O-N 3.47Å; P791-F794 PolarHBondContact O-N 3.01Å; F794-S796 PolarHBondContact O-N 3.01Å; F794-L797 PolarHBondContact O-N 3.13Å; F794-C798 WeakPolarHBondContact O-CB 3.45Å; F794-C798 PolarHBondContact O-N 3.27Å; F794-C798 PolarHBondContact O-SG 2.87Å; F794-C798 VanDerWaalsContact O-SG 3.38Å; F794-L804 HydrophobicContact CE1-CD1 4.06Å; F794-L804 HydrophobicContact CZ-CD1 4.26Å
795	L	77.6	Confident	74.4	Confident	38 Å²	38	56.1 Å²	56.1	20%	0.199	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-38.3	-177.7	-65.2	167.1	0	0	0	111.7	P791 S799 L806 V814	P791-L795 VanDerWaalsContact O-CB 3.31Å; P791-L795 WeakPolarHBondContact O-CB 3.47Å; P791-L795 WeakPolarHBondContact O-CD1 3.49Å; P791-L795 WeakPolarHBondContact O-CG 3.29Å; P791-L795 PolarHBondContact O-N 2.9Å; L795-S799 WeakPolarHBondContact O-CB 3.5Å; L795-S799 PolarHBondContact O-N 3.43Å; L795-L806 HydrophobicContact CD2-CD1 3.53Å; L795-V814 HydrophobicContact CD1-CG1 3.97Å; L795-V814 HydrophobicContact CD1-CG2 4.13Å
796	S	73.1	Confident	73.7	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.063	33%	0.334	C	S	.	.	H	α-helix	trans	-65	-44.4	175.5	-54.9	0	0	0	0	112	V792 F794 S799 L800	V792-S796 VanDerWaalsContact O-CB 3.26Å; V792-S796 WeakPolarHBondContact O-CB 3.3Å; V792-S796 PolarHBondContact O-N 3.42Å; V792-S796 PolarHBondContact O-OG 3.44Å; F794-S796 PolarHBondContact O-N 3.01Å; S796-S799 PolarHBondContact O-N 3.26Å; S796-L800 WeakPolarHBondContact O-CB 3.49Å; S796-L800 PolarHBondContact O-N 2.97Å
797	L	74.9	Confident	73.4	Confident	61 Å²	61	60.1 Å²	60.1	32%	0.319	35%	0.353	S	S	.	.	H	α-helix	trans	-67.2	-41.4	178.1	-177.5	62.9	0	0	0	112	L737 A793 F794 S799 L800 L801	L737-L797 HydrophobicContact CD1-CD1 4.49Å; A793-L797 VanDerWaalsContact O-CB 3.28Å; A793-L797 WeakPolarHBondContact O-CB 3.32Å; A793-L797 PolarHBondContact O-N 2.8Å; F794-L797 PolarHBondContact O-N 3.13Å; L797-S799 VanDerWaalsContact C-N 3.34Å; L797-L800 PolarHBondContact O-N 2.97Å; L797-L801 HydrophobicContact CD1-CD1 3.92Å; L797-L801 HydrophobicContact CD1-CG 4.27Å; L797-L801 HydrophobicContact CG-CD1 3.94Å; L797-L801 WeakPolarHBondContact O-CB 3.36Å; L797-L801 VanDerWaalsContact O-CG 3.32Å; L797-L801 WeakPolarHBondContact O-CG 3.38Å; L797-L801 PolarHBondContact O-N 3.24Å
798	C	76.4	Confident	73.1	Confident	11 Å²	11	59.4 Å²	59.4	7%	0.074	35%	0.347	C	S	.	.	H	α-helix	trans	-68.2	-32.3	177.1	-72.1	0	0	0	0	112.9	F794 G802 L803 L804	F794-C798 WeakPolarHBondContact O-CB 3.45Å; F794-C798 PolarHBondContact O-N 3.27Å; F794-C798 PolarHBondContact O-SG 2.87Å; F794-C798 VanDerWaalsContact O-SG 3.38Å; C798-G802 PolarHBondContact O-N 2.92Å; C798-L803 PolarHBondContact O-N 2.93Å; C798-L804 HydrophobicContact CB-CB 4.25Å; C798-L804 HydrophobicContact CB-CD1 3.8Å
799	S	71.8	Confident	72.9	Confident	27 Å²	27	62.1 Å²	62.1	19%	0.189	36%	0.359	C	S	.	.	H	α-helix	trans	-68.6	-44.8	171.7	-167.7	0	0	0	0	111.7	L795 S796 L797 L801 G802 L811	L795-S799 WeakPolarHBondContact O-CB 3.5Å; L795-S799 PolarHBondContact O-N 3.43Å; S796-S799 PolarHBondContact O-N 3.26Å; L797-S799 VanDerWaalsContact C-N 3.34Å; S799-L801 VanDerWaalsContact C-N 3.27Å; S799-L801 PolarHBondContact O-N 2.95Å; S799-G802 PolarHBondContact O-N 2.98Å; S799-L811 WeakPolarHBondContact OG-CD2 3.41Å
800	L	67.8	Low	72.8	Confident	40 Å²	40	63.4 Å²	63.4	21%	0.209	37%	0.372	C	S	.	.	H	α-helix	trans	-61.2	-34.9	177.1	176.7	66.4	0	0	0	112.5	P721 L733 L737 S796 L797	P721-L800 VanDerWaalsContact O-CD1 3.26Å; P721-L800 WeakPolarHBondContact O-CD1 3.23Å; L733-L800 HydrophobicContact CD1-CD1 4.45Å; L733-L800 HydrophobicContact CD2-CD1 4.06Å; L737-L800 HydrophobicContact CB-CD2 4.3Å; L737-L800 HydrophobicContact CD1-CD2 3.92Å; S796-L800 WeakPolarHBondContact O-CB 3.49Å; S796-L800 PolarHBondContact O-N 2.97Å; L797-L800 PolarHBondContact O-N 2.97Å
801	L	69.3	Low	72.8	Confident	106 Å²	106	59.1 Å²	59.1	56%	0.555	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	0.7	178.6	-65	172.8	0	0	0	113.9	L797 S799 L803	L797-L801 HydrophobicContact CD1-CD1 3.92Å; L797-L801 HydrophobicContact CD1-CG 4.27Å; L797-L801 HydrophobicContact CG-CD1 3.94Å; L797-L801 WeakPolarHBondContact O-CB 3.36Å; L797-L801 VanDerWaalsContact O-CG 3.32Å; L797-L801 WeakPolarHBondContact O-CG 3.38Å; L797-L801 PolarHBondContact O-N 3.24Å; S799-L801 VanDerWaalsContact C-N 3.27Å; S799-L801 PolarHBondContact O-N 2.95Å; L801-L803 HydrophobicContact CB-CD1 3.75Å; L801-L803 HydrophobicContact CB-CG 3.74Å; L801-L803 HydrophobicContact CD1-CD1 3.84Å; L801-L803 HydrophobicContact CG-CD1 4.47Å; L801-L803 PolarHBondContact O-N 3.38Å; L801-L803 VanDerWaalsContact O-N 3.17Å
802	G	66.8	Low	72.9	Confident	64 Å²	64	56.8 Å²	56.8	66%	0.66	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	15.2	-177.7	0	0	0	0	0	115.2	C798 S799 L804	C798-G802 PolarHBondContact O-N 2.92Å; S799-G802 PolarHBondContact O-N 2.98Å; G802-L804 VanDerWaalsContact C-N 3.34Å; G802-L804 PolarHBondContact O-N 2.67Å
803	L	67.1	Low	73.2	Confident	124 Å²	124	58.1 Å²	58.1	65%	0.649	34%	0.344	S	S	*	.			trans	-79	-14.3	-170.5	-68	173.1	0	0	0	114.2	C798 L801	C798-L803 PolarHBondContact O-N 2.93Å; L801-L803 HydrophobicContact CB-CD1 3.75Å; L801-L803 HydrophobicContact CB-CG 3.74Å; L801-L803 HydrophobicContact CD1-CD1 3.84Å; L801-L803 HydrophobicContact CG-CD1 4.47Å; L801-L803 PolarHBondContact O-N 3.38Å; L801-L803 VanDerWaalsContact O-N 3.17Å
804	L	64.8	Low	73.5	Confident	80 Å²	80	59 Å²	59	42%	0.419	35%	0.348	S	S	.	.	S	Bend	trans	-142	118.6	-176.3	-93.2	157.7	0	0	0	110	F794 C798 G802 L806	F794-L804 HydrophobicContact CE1-CD1 4.06Å; F794-L804 HydrophobicContact CZ-CD1 4.26Å; C798-L804 HydrophobicContact CB-CB 4.25Å; C798-L804 HydrophobicContact CB-CD1 3.8Å; G802-L804 VanDerWaalsContact C-N 3.34Å; G802-L804 PolarHBondContact O-N 2.67Å; L804-L806 HydrophobicContact CB-CD1 3.95Å; L804-L806 HydrophobicContact CB-CG 4.25Å; L804-L806 PolarHBondContact O-N 2.94Å
805	S	59.7	Low	73.5	Confident	135 Å²	135	54.1 Å²	54.1	94%	0.944	33%	0.328	S	S	*	.			trans	-73.1	53.2	176.5	-45	0	0	0	0	112.8
806	L	63.5	Low	74	Confident	61 Å²	61	52.4 Å²	52.4	32%	0.319	32%	0.319	S	S	.	.			trans	-73.2	124.3	173.5	-73.2	154.4	0	0	0	109.1	L795 L804 E808 V810	L795-L806 HydrophobicContact CD2-CD1 3.53Å; L804-L806 HydrophobicContact CB-CD1 3.95Å; L804-L806 HydrophobicContact CB-CG 4.25Å; L804-L806 PolarHBondContact O-N 2.94Å; L806-E808 PolarHBondContact O-N 3.24Å; L806-V810 HydrophobicContact CD2-CG1 4.48Å
807	G	69.8	Low	74.7	Confident	47 Å²	47	53.8 Å²	53.8	49%	0.485	33%	0.325	S	S	.	.			trans	-60.6	136.8	175	0	0	0	0	0	111.4	E809 V810	G807-E809 VanDerWaalsContact C-N 3.26Å; G807-E809 PolarHBondContact O-N 3.29Å; G807-E809 VanDerWaalsContact O-N 3.13Å; G807-V810 VanDerWaalsContact O-CB 3.31Å; G807-V810 WeakPolarHBondContact O-CB 3.27Å; G807-V810 PolarHBondContact O-N 3.17Å
808	E	74.9	Confident	75.3	Confident	92 Å²	92	53 Å²	53	43%	0.43	32%	0.321	S	S	.	.	H	α-helix	trans	-53.8	-36.4	-172	-72.6	177.3	-158.2	0	0	114.4	P552 F553 L806 V810 L811 K812	P552-E808 HydrophobicContact CB-CB 3.72Å; P552-E808 HydrophobicContact CG-CB 3.89Å; F553-E808 HydrophobicContact CD2-CB 3.9Å; F553-E808 HydrophobicContact CD2-CG 4.16Å; F553-E808 HydrophobicContact CE2-CB 3.73Å; F553-E808 HydrophobicContact CE2-CG 4.09Å; L806-E808 PolarHBondContact O-N 3.24Å; E808-V810 PolarHBondContact O-N 3.49Å; E808-L811 PolarHBondContact O-N 3.45Å; E808-L811 VanDerWaalsContact O-N 3.09Å; E808-K812 WeakPolarHBondContact O-CB 3.35Å; E808-K812 PolarHBondContact O-N 3.39Å
809	E	77.6	Confident	75.6	Confident	79 Å²	79	55.1 Å²	55.1	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-31.2	174.4	-76.8	-63.1	162.5	0	0	113.2	P552 G807 K812 S813	P552-E809 WeakPolarHBondContact CA-OE1 3.48Å; P552-E809 HydrophobicContact CB-CG 3.82Å; P552-E809 VanDerWaalsContact CB-OE1 3.28Å; P552-E809 WeakPolarHBondContact CB-OE1 3.38Å; P552-E809 HydrophobicContact CG-CG 3.83Å; G807-E809 VanDerWaalsContact C-N 3.26Å; G807-E809 PolarHBondContact O-N 3.29Å; G807-E809 VanDerWaalsContact O-N 3.13Å; E809-K812 IonicContact OE1-NZ 2.64Å; E809-K812 PolarHBondContact OE1-NZ 2.85Å; E809-K812 WeakPolarHBondContact OE2-CD 3.38Å; E809-K812 IonicContact OE2-NZ 3.7Å; E809-K812 PolarHBondContact OE2-NZ 2.86Å; E809-S813 VanDerWaalsContact O-CB 3.25Å; E809-S813 WeakPolarHBondContact O-CB 3.48Å; E809-S813 PolarHBondContact O-N 3.27Å; E809-S813 PolarHBondContact O-OG 3.36Å
810	V	79.3	Confident	76.4	Confident	76 Å²	76	53.9 Å²	53.9	46%	0.461	32%	0.321	S	S	.	.	H	α-helix	trans	-72	-44	175.4	-174.8	0	0	0	0	110.2	L806 G807 E808 S813 V814	L806-V810 HydrophobicContact CD2-CG1 4.48Å; G807-V810 VanDerWaalsContact O-CB 3.31Å; G807-V810 WeakPolarHBondContact O-CB 3.27Å; G807-V810 PolarHBondContact O-N 3.17Å; E808-V810 PolarHBondContact O-N 3.49Å; V810-S813 PolarHBondContact O-N 3.37Å; V810-V814 WeakPolarHBondContact O-CB 3.12Å; V810-V814 VanDerWaalsContact O-CG2 3.32Å; V810-V814 WeakPolarHBondContact O-CG2 3.36Å; V810-V814 PolarHBondContact O-N 2.88Å
811	L	78.1	Confident	77.4	Confident	9 Å²	9	54.3 Å²	54.3	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-46.8	177.5	-176.8	65	0	0	0	111.1	F553 S799 E808 S813 V814 L815	F553-L811 HydrophobicContact CE2-CB 4.48Å; F553-L811 HydrophobicContact CE2-CD2 4.29Å; F553-L811 HydrophobicContact CZ-CB 4.17Å; F553-L811 HydrophobicContact CZ-CD2 4.01Å; F553-L811 HydrophobicContact CZ-CG 4.05Å; S799-L811 WeakPolarHBondContact OG-CD2 3.41Å; E808-L811 PolarHBondContact O-N 3.45Å; E808-L811 VanDerWaalsContact O-N 3.09Å; L811-S813 PolarHBondContact O-N 3.28Å; L811-V814 PolarHBondContact O-N 3Å; L811-L815 HydrophobicContact CD1-CD1 4.3Å; L811-L815 HydrophobicContact CD1-CG 4.43Å; L811-L815 HydrophobicContact CG-CD1 4.01Å; L811-L815 WeakPolarHBondContact O-CG 3.18Å; L811-L815 PolarHBondContact O-N 3.15Å
812	K	83.4	Confident	78.2	Confident	1 Å²	1	50.1 Å²	50.1	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-53.2	-49.8	171.5	169.9	177.2	166.9	-171.6	0	111.8	P552 F553 F716 E808 E809 V814 L815 L816	P552-K812 VanDerWaalsContact O-CD 3.24Å; P552-K812 WeakPolarHBondContact O-CD 3.38Å; P552-K812 WeakPolarHBondContact O-CE 3.49Å; P552-K812 PolarHBondContact O-NZ 3.21Å; F553-K812 HydrophobicContact CE1-CB 4Å; F553-K812 HydrophobicContact CE2-CB 4.4Å; F553-K812 HydrophobicContact CZ-CB 3.88Å; F716-K812 HydrophobicContact CE2-CD 4.38Å; F716-K812 HydrophobicContact CZ-CD 4.14Å; F716-K812 HydrophobicContact CZ-CG 4.42Å; E808-K812 WeakPolarHBondContact O-CB 3.35Å; E808-K812 PolarHBondContact O-N 3.39Å; E809-K812 IonicContact OE1-NZ 2.64Å; E809-K812 PolarHBondContact OE1-NZ 2.85Å; E809-K812 WeakPolarHBondContact OE2-CD 3.38Å; E809-K812 IonicContact OE2-NZ 3.7Å; E809-K812 PolarHBondContact OE2-NZ 2.86Å; K812-V814 PolarHBondContact O-N 3.27Å; K812-L815 PolarHBondContact O-N 2.83Å; K812-L816 HydrophobicContact CG-CD1 3.82Å; K812-L816 WeakPolarHBondContact O-CB 3.48Å; K812-L816 WeakPolarHBondContact O-CG 3.4Å; K812-L816 PolarHBondContact O-N 2.94Å
813	S	84.7	Confident	79.2	Confident	34 Å²	34	47.2 Å²	47.2	24%	0.238	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-40.1	178.9	-62.8	0	0	0	0	112.6	E809 V810 L811 L817	E809-S813 VanDerWaalsContact O-CB 3.25Å; E809-S813 WeakPolarHBondContact O-CB 3.48Å; E809-S813 PolarHBondContact O-N 3.27Å; E809-S813 PolarHBondContact O-OG 3.36Å; V810-S813 PolarHBondContact O-N 3.37Å; L811-S813 PolarHBondContact O-N 3.28Å; S813-L817 VanDerWaalsContact O-CB 3.28Å; S813-L817 WeakPolarHBondContact O-CB 3.1Å; S813-L817 WeakPolarHBondContact O-CG 3.39Å; S813-L817 PolarHBondContact O-N 3.47Å; S813-L817 VanDerWaalsContact O-N 3.07Å
814	V	82.5	Confident	80.2	Confident	27 Å²	27	41.6 Å²	41.6	16%	0.164	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-46	177.6	167.1	0	0	0	0	111.5	V792 L795 V810 L811 K812 L818	V792-V814 HydrophobicContact CG2-CG1 4.18Å; L795-V814 HydrophobicContact CD1-CG1 3.97Å; L795-V814 HydrophobicContact CD1-CG2 4.13Å; V810-V814 WeakPolarHBondContact O-CB 3.12Å; V810-V814 VanDerWaalsContact O-CG2 3.32Å; V810-V814 WeakPolarHBondContact O-CG2 3.36Å; V810-V814 PolarHBondContact O-N 2.88Å; L811-V814 PolarHBondContact O-N 3Å; K812-V814 PolarHBondContact O-N 3.27Å; V814-L818 HydrophobicContact CG1-CB 4.35Å; V814-L818 HydrophobicContact CG1-CD2 4.32Å; V814-L818 WeakPolarHBondContact O-CA 3.47Å; V814-L818 WeakPolarHBondContact O-CB 3.5Å; V814-L818 PolarHBondContact O-N 2.93Å
815	L	81.3	Confident	81.3	Confident	16 Å²	16	40.5 Å²	40.5	8%	0.084	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-48.6	178.3	-70.8	168.8	0	0	0	111.2	F553 L718 V792 L811 K812 Q819	F553-L815 HydrophobicContact CE1-CD1 4.4Å; F553-L815 HydrophobicContact CZ-CD1 4.49Å; L718-L815 HydrophobicContact CD1-CB 4.4Å; V792-L815 HydrophobicContact CG1-CD2 4.15Å; L811-L815 HydrophobicContact CD1-CD1 4.3Å; L811-L815 HydrophobicContact CD1-CG 4.43Å; L811-L815 HydrophobicContact CG-CD1 4.01Å; L811-L815 WeakPolarHBondContact O-CG 3.18Å; L811-L815 PolarHBondContact O-N 3.15Å; K812-L815 PolarHBondContact O-N 2.83Å; L815-Q819 VanDerWaalsContact O-CB 3.3Å; L815-Q819 WeakPolarHBondContact O-CB 3.4Å
816	L	87.2	Confident	82.4	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-72.2	-30.5	-175.9	-66.9	172.8	0	0	0	113.9	L560 V565 L569 L618 F716 K812 P820	L560-L816 HydrophobicContact CD2-CD1 4Å; V565-L816 HydrophobicContact CG1-CB 4.19Å; V565-L816 HydrophobicContact CG1-CD1 4Å; L569-L816 WeakPolarHBondContact CD1-O 3.17Å; L618-L816 HydrophobicContact CD1-CD2 4.29Å; F716-L816 HydrophobicContact CB-CD2 4.29Å; F716-L816 HydrophobicContact CD1-CD1 3.86Å; F716-L816 HydrophobicContact CD1-CD2 3.8Å; F716-L816 HydrophobicContact CD1-CG 4.41Å; F716-L816 HydrophobicContact CE1-CD1 3.77Å; F716-L816 HydrophobicContact CG-CD2 4.16Å; F716-L816 HydrophobicContact CZ-CD1 4.37Å; K812-L816 HydrophobicContact CG-CD1 3.82Å; K812-L816 WeakPolarHBondContact O-CB 3.48Å; K812-L816 WeakPolarHBondContact O-CG 3.4Å; K812-L816 PolarHBondContact O-N 2.94Å; L816-P820 WeakPolarHBondContact O-CG 3.36Å
817	L	88.3	Confident	83.2	Confident	37 Å²	37	31.2 Å²	31.2	19%	0.194	18%	0.178	C	C	.	.	H	α-helix	trans	-101.1	-39.9	-177.3	-63.1	178.8	0	0	0	114	V565 L569 I572 S813 L821	V565-L817 HydrophobicContact CG1-CD2 4.49Å; V565-L817 HydrophobicContact CG2-CD1 4.39Å; L569-L817 HydrophobicContact CB-CD2 4.44Å; I572-L817 HydrophobicContact CD1-CD2 4.13Å; I572-L817 WeakPolarHBondContact CD1-O 3.39Å; S813-L817 VanDerWaalsContact O-CB 3.28Å; S813-L817 WeakPolarHBondContact O-CB 3.1Å; S813-L817 WeakPolarHBondContact O-CG 3.39Å; S813-L817 PolarHBondContact O-N 3.47Å; S813-L817 VanDerWaalsContact O-N 3.07Å; L817-L821 WeakPolarHBondContact O-CB 3.49Å
818	L	86.4	Confident	83.7	Confident	46 Å²	46	32.6 Å²	32.6	24%	0.241	17%	0.173	C	C	.	.	H	α-helix	trans	-89.8	-33	-168.1	-151.4	69.2	0	0	0	112.8	L788 P791 V792 V814 L821	L788-L818 HydrophobicContact CD2-CD1 3.83Å; L788-L818 HydrophobicContact CD2-CG 4.31Å; P791-L818 HydrophobicContact CB-CD2 3.96Å; P791-L818 HydrophobicContact CG-CD2 4.42Å; V792-L818 HydrophobicContact CG2-CB 3.9Å; V792-L818 HydrophobicContact CG2-CD2 3.95Å; V792-L818 HydrophobicContact CG2-CG 4.14Å; V814-L818 HydrophobicContact CG1-CB 4.35Å; V814-L818 HydrophobicContact CG1-CD2 4.32Å; V814-L818 WeakPolarHBondContact O-CA 3.47Å; V814-L818 WeakPolarHBondContact O-CB 3.5Å; V814-L818 PolarHBondContact O-N 2.93Å; L818-L821 HydrophobicContact CD1-CD2 4.27Å
819	Q	84.1	Confident	83.8	Confident	54 Å²	54	29.5 Å²	29.5	25%	0.252	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-43.7	176.8	-172.5	177.9	-13	0	0	114	W649 V792 L815 P822	W649-Q819 VanDerWaalsContact NE1-NE2 3.15Å; V792-Q819 HydrophobicContact CG1-CB 4.48Å; L815-Q819 VanDerWaalsContact O-CB 3.3Å; L815-Q819 WeakPolarHBondContact O-CB 3.4Å; Q819-P822 VanDerWaalsContact O-CD 3.31Å; Q819-P822 WeakPolarHBondContact O-CD 3.49Å
820	P	88.4	Confident	83.7	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.9	177.4	31.8	-35.5	0	0	0	114.3	I572 M611 T615 W649 L816 A823	I572-P820 HydrophobicContact CD1-CG 4.43Å; I572-P820 HydrophobicContact CG2-CB 3.93Å; I572-P820 HydrophobicContact CG2-CG 4.02Å; M611-P820 HydrophobicContact CG-CB 3.87Å; M611-P820 HydrophobicContact SD-CB 4.03Å; T615-P820 HydrophobicContact CG2-CB 3.7Å; T615-P820 HydrophobicContact CG2-CG 4.03Å; W649-P820 HydrophobicContact CH2-CB 4.37Å; W649-P820 HydrophobicContact CH2-CG 4.22Å; W649-P820 HydrophobicContact CZ2-CB 4.47Å; W649-P820 HydrophobicContact CZ2-CG 4.43Å; L816-P820 WeakPolarHBondContact O-CG 3.36Å; P820-A823 VanDerWaalsContact O-CB 3.31Å; P820-A823 WeakPolarHBondContact O-CB 3.38Å; P820-A823 PolarHBondContact O-N 3.3Å
821	L	88.7	Confident	83.3	Confident	49 Å²	49	25.6 Å²	25.6	26%	0.257	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-37.3	-177.1	-170.8	62.1	0	0	0	115.2	I572 L788 L817 L818 A823 C824 L825	I572-L821 HydrophobicContact CD1-CD1 4.34Å; I572-L821 HydrophobicContact CG1-CD1 4.18Å; L788-L821 HydrophobicContact CD1-CB 4.17Å; L788-L821 HydrophobicContact CD1-CD2 3.93Å; L788-L821 HydrophobicContact CD1-CG 4.01Å; L788-L821 HydrophobicContact CD2-CD2 3.89Å; L817-L821 WeakPolarHBondContact O-CB 3.49Å; L818-L821 HydrophobicContact CD1-CD2 4.27Å; L821-A823 PolarHBondContact O-N 3.01Å; L821-C824 WeakPolarHBondContact O-CB 3.3Å; L821-C824 PolarHBondContact O-N 3.36Å; L821-L825 HydrophobicContact CG-CD1 4.31Å; L821-L825 PolarHBondContact O-N 3.18Å
822	P	86.8	Confident	83	Confident	19 Å²	19	30.7 Å²	30.7	12%	0.123	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-31.4	177.1	-21.7	32.7	0	0	0	113.4	N785 L788 Q819 C824 L825 N826	N785-P822 VanDerWaalsContact OD1-CB 3.3Å; N785-P822 WeakPolarHBondContact OD1-CB 3.45Å; L788-P822 HydrophobicContact CB-CG 4.14Å; L788-P822 HydrophobicContact CD1-CG 3.9Å; Q819-P822 VanDerWaalsContact O-CD 3.31Å; Q819-P822 WeakPolarHBondContact O-CD 3.49Å; P822-C824 PolarHBondContact O-N 3.47Å; P822-C824 VanDerWaalsContact O-N 3.13Å; P822-L825 PolarHBondContact O-N 3.43Å; P822-N826 VanDerWaalsContact O-CB 3.27Å; P822-N826 WeakPolarHBondContact O-CB 3.36Å; P822-N826 PolarHBondContact O-N 3.18Å; P822-N826 PolarHBondContact O-ND2 3.48Å; P822-N826 VanDerWaalsContact O-ND2 3.1Å
823	A	87.3	Confident	82	Confident	3 Å²	3	35.1 Å²	35.1	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-21.9	176.6	0	0	0	0	0	113.2	N580 N608 M611 P820 L821 P827	N580-A823 PolarHBondContact ND2-O 3.31Å; N608-A823 HydrophobicContact CB-CB 3.79Å; M611-A823 HydrophobicContact CB-CB 4.1Å; M611-A823 HydrophobicContact CG-CB 4.1Å; P820-A823 VanDerWaalsContact O-CB 3.31Å; P820-A823 WeakPolarHBondContact O-CB 3.38Å; P820-A823 PolarHBondContact O-N 3.3Å; L821-A823 PolarHBondContact O-N 3.01Å; A823-P827 VanDerWaalsContact O-CD 3.3Å; A823-P827 WeakPolarHBondContact O-CD 3.47Å
824	C	88.1	Confident	80.9	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.034	19%	0.19	C	C	.	.	H	α-helix	trans	-86.7	-43.3	174.7	-54.7	0	0	0	0	112.3	I572 V575 L821 P822 P827 L828	I572-C824 VanDerWaalsContact CA-SG 3.5Å; I572-C824 PolarHBondContact O-SG 3.11Å; V575-C824 HydrophobicContact CB-CB 4.31Å; V575-C824 HydrophobicContact CG1-CB 3.84Å; L821-C824 WeakPolarHBondContact O-CB 3.3Å; L821-C824 PolarHBondContact O-N 3.36Å; P822-C824 PolarHBondContact O-N 3.47Å; P822-C824 VanDerWaalsContact O-N 3.13Å; C824-P827 WeakPolarHBondContact O-CD 3.49Å; C824-P827 WeakPolarHBondContact O-CG 3.17Å; C824-L828 WeakPolarHBondContact O-CD1 3.25Å; C824-L828 WeakPolarHBondContact O-CG 3.39Å
825	L	86.4	Confident	79.3	Confident	57 Å²	57	43 Å²	43	30%	0.298	21%	0.212	S	C	.	.	H	α-helix	trans	-75.8	-34.3	-175	-61.8	179.8	0	0	0	112.4	L788 L821 P822 L828 L829	L788-L825 HydrophobicContact CD1-CD1 3.73Å; L821-L825 HydrophobicContact CG-CD1 4.31Å; L821-L825 PolarHBondContact O-N 3.18Å; P822-L825 PolarHBondContact O-N 3.43Å; L825-L828 PolarHBondContact O-N 2.95Å; L825-L829 HydrophobicContact CB-CD1 4.42Å; L825-L829 WeakPolarHBondContact O-CB 3.4Å; L825-L829 VanDerWaalsContact O-CG 3.3Å; L825-L829 WeakPolarHBondContact O-CG 3.37Å; L825-L829 PolarHBondContact O-N 3.01Å
826	N	82.8	Confident	77.6	Confident	2 Å²	2	49 Å²	49	1%	0.011	24%	0.244	C	C	.	.	H	α-helix	trans	-54.5	-51.7	-179	-73.9	-22.6	0	0	0	114.3	M604 N608 L781 N785 P822 F830	M604-N826 HydrophobicContact CE-CB 4.41Å; N608-N826 WeakPolarHBondContact ND2-CB 3.41Å; N608-N826 PolarHBondContact ND2-ND2 2.99Å; L781-N826 HydrophobicContact CD2-CB 4.06Å; L781-N826 WeakPolarHBondContact CD2-OD1 3.26Å; N785-N826 PolarHBondContact ND2-OD1 3.41Å; N785-N826 PolarHBondContact OD1-ND2 3.02Å; N785-N826 VanDerWaalsContact OD1-ND2 3.1Å; P822-N826 VanDerWaalsContact O-CB 3.27Å; P822-N826 WeakPolarHBondContact O-CB 3.36Å; P822-N826 PolarHBondContact O-N 3.18Å; P822-N826 PolarHBondContact O-ND2 3.48Å; P822-N826 VanDerWaalsContact O-ND2 3.1Å; N826-F830 PolarHBondContact O-N 3.09Å
827	P	81.4	Confident	75.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-35.4	175.1	26.9	-36	0	0	0	113	G579 L583 A823 C824 F830 L831	G579-P827 VanDerWaalsContact C-CB 3.47Å; G579-P827 WeakPolarHBondContact O-CB 3.26Å; L583-P827 HydrophobicContact CB-CB 4.2Å; L583-P827 HydrophobicContact CD2-CB 4.22Å; A823-P827 VanDerWaalsContact O-CD 3.3Å; A823-P827 WeakPolarHBondContact O-CD 3.47Å; C824-P827 WeakPolarHBondContact O-CD 3.49Å; C824-P827 WeakPolarHBondContact O-CG 3.17Å; P827-F830 PolarHBondContact O-N 3.42Å; P827-L831 WeakPolarHBondContact O-CB 3.3Å; P827-L831 VanDerWaalsContact O-CG 3.29Å; P827-L831 WeakPolarHBondContact O-CG 3.04Å; P827-L831 PolarHBondContact O-N 3.17Å
828	L	80.7	Confident	72.9	Confident	75 Å²	75	58 Å²	58	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-43.9	179.3	-69.2	174.2	0	0	0	111.9	V575 C824 L825 F830 L831 L832	V575-L828 HydrophobicContact CG1-CD1 3.89Å; V575-L828 HydrophobicContact CG1-CG 4.45Å; C824-L828 WeakPolarHBondContact O-CD1 3.25Å; C824-L828 WeakPolarHBondContact O-CG 3.39Å; L825-L828 PolarHBondContact O-N 2.95Å; L828-F830 VanDerWaalsContact C-N 3.32Å; L828-F830 PolarHBondContact O-N 3.45Å; L828-L831 PolarHBondContact O-N 3.2Å; L828-L832 WeakPolarHBondContact O-CB 3.28Å; L828-L832 VanDerWaalsContact O-CG 3.26Å; L828-L832 WeakPolarHBondContact O-CG 3.46Å; L828-L832 PolarHBondContact O-N 3.4Å
829	L	76.9	Confident	70.7	Confident	28 Å²	28	63.6 Å²	63.6	15%	0.147	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-42.9	174.8	-71.1	165.3	0	0	0	111.2	L781 T784 L825 F833	L781-L829 HydrophobicContact CD2-CB 4.24Å; L781-L829 HydrophobicContact CD2-CD1 4.1Å; T784-L829 HydrophobicContact CG2-CD1 4Å; T784-L829 VanDerWaalsContact OG1-CD1 3.29Å; T784-L829 WeakPolarHBondContact OG1-CD1 3.47Å; L825-L829 HydrophobicContact CB-CD1 4.42Å; L825-L829 WeakPolarHBondContact O-CB 3.4Å; L825-L829 VanDerWaalsContact O-CG 3.3Å; L825-L829 WeakPolarHBondContact O-CG 3.37Å; L825-L829 PolarHBondContact O-N 3.01Å; L829-F833 HydrophobicContact CD2-CE2 4.11Å; L829-F833 VanDerWaalsContact O-CD2 3.27Å; L829-F833 WeakPolarHBondContact O-CD2 3.34Å; L829-F833 PolarHBondContact O-N 3.38Å
830	F	74.3	Confident	68.6	Low	14 Å²	14	68.9 Å²	68.9	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-61.9	-48.8	175.9	-173.8	-89.2	0	0	0	111.9	L583 L587 V601 M774 N826 P827 L828 L832 F833 T834	L583-F830 HydrophobicContact CD1-CB 4.17Å; L583-F830 HydrophobicContact CD1-CD1 3.19Å; L583-F830 HydrophobicContact CD1-CD2 4.35Å; L583-F830 HydrophobicContact CD1-CE1 3.52Å; L583-F830 HydrophobicContact CD1-CG 3.65Å; L583-F830 HydrophobicContact CD1-CZ 4.23Å; L587-F830 HydrophobicContact CD2-CE1 4.28Å; L587-F830 HydrophobicContact CD2-CZ 3.8Å; V601-F830 HydrophobicContact CG1-CD2 3.87Å; V601-F830 HydrophobicContact CG1-CE2 3.9Å; M774-F830 HydrophobicContact CE-CE2 4.48Å; N826-F830 PolarHBondContact O-N 3.09Å; P827-F830 PolarHBondContact O-N 3.42Å; L828-F830 VanDerWaalsContact C-N 3.32Å; L828-F830 PolarHBondContact O-N 3.45Å; F830-L832 VanDerWaalsContact C-N 3.34Å; F830-L832 PolarHBondContact O-N 2.97Å; F830-F833 PolarHBondContact O-N 3.26Å; F830-T834 HydrophobicContact CD1-CG2 3.97Å; F830-T834 HydrophobicContact CD2-CG2 4.2Å; F830-T834 HydrophobicContact CE1-CG2 3.67Å; F830-T834 HydrophobicContact CE2-CG2 3.9Å; F830-T834 HydrophobicContact CG-CG2 4.24Å; F830-T834 HydrophobicContact CZ-CG2 3.63Å; F830-T834 WeakPolarHBondContact O-CB 3.43Å; F830-T834 WeakPolarHBondContact O-CG2 3.43Å; F830-T834 PolarHBondContact O-N 3.02Å; F830-T834 PolarHBondContact O-OG1 3.06Å
831	L	72.4	Confident	66	Low	58 Å²	58	78.7 Å²	78.7	30%	0.304	39%	0.391	S	S	.	.	H	α-helix	trans	-68	-29.7	-178.4	-68.7	168.7	0	0	0	113.4	I582 P827 L828	I582-L831 HydrophobicContact CB-CD1 4.44Å; I582-L831 HydrophobicContact CG2-CD1 3.86Å; I582-L831 HydrophobicContact CG2-CD2 4.11Å; P827-L831 WeakPolarHBondContact O-CB 3.3Å; P827-L831 VanDerWaalsContact O-CG 3.29Å; P827-L831 WeakPolarHBondContact O-CG 3.04Å; P827-L831 PolarHBondContact O-N 3.17Å; L828-L831 PolarHBondContact O-N 3.2Å
832	L	70.1	Confident	63.1	Low	116 Å²	116	80.8 Å²	80.8	61%	0.607	41%	0.41	S	S	*	.	H	α-helix	trans	-73.6	-40.7	176.3	-75.1	169.4	0	0	0	112.8	L828 F830 R835	L828-L832 WeakPolarHBondContact O-CB 3.28Å; L828-L832 VanDerWaalsContact O-CG 3.26Å; L828-L832 WeakPolarHBondContact O-CG 3.46Å; L828-L832 PolarHBondContact O-N 3.4Å; F830-L832 VanDerWaalsContact C-N 3.34Å; F830-L832 PolarHBondContact O-N 2.97Å; L832-R835 WeakPolarHBondContact O-CB 3.41Å
833	F	63.7	Low	60.3	Low	95 Å²	95	92 Å²	92	42%	0.417	45%	0.45	S	S	.	.	H	α-helix	trans	-91.5	-18.3	-175.2	-69.4	-63	0	0	0	114.7	H777 W780 L829 F830 R835	H777-F833 VanDerWaalsContact CE1-C 3.44Å; H777-F833 WeakPolarHBondContact CE1-CB 3.44Å; H777-F833 PolarHBondContact CE1-O 3.39Å; H777-F833 VanDerWaalsContact CE1-O 3.28Å; H777-F833 VanDerWaalsContact NE2-CB 3.35Å; H777-F833 WeakPolarHBondContact NE2-CB 3.49Å; H777-F833 PolarHBondContact NE2-O 2.92Å; W780-F833 HydrophobicContact CB-CE2 4.23Å; W780-F833 AromaticContact CD1-CE2 3.68Å; W780-F833 AromaticContact CD1-CZ 3.67Å; W780-F833 AromaticContact CG-CE2 3.92Å; W780-F833 HydrophobicContact CG-CE2 3.92Å; W780-F833 HydrophobicContact CG-CZ 4.2Å; W780-F833 AromaticContact NE1-CZ 3.75Å; L829-F833 HydrophobicContact CD2-CE2 4.11Å; L829-F833 VanDerWaalsContact O-CD2 3.27Å; L829-F833 WeakPolarHBondContact O-CD2 3.34Å; L829-F833 PolarHBondContact O-N 3.38Å; F830-F833 PolarHBondContact O-N 3.26Å; F833-R835 PolarHBondContact O-N 3.49Å; F833-R835 VanDerWaalsContact O-N 3.14Å
834	T	60.3	Low	57.5	Low	58 Å²	58	97.3 Å²	97.3	36%	0.356	49%	0.487	S	S	.	.			trans	-77.9	15	174.4	48.3	0	0	0	0	114.1	H777 F830 D836	H777-T834 VanDerWaalsContact NE2-CG2 3.3Å; H777-T834 WeakPolarHBondContact NE2-CG2 3.24Å; H777-T834 PolarHBondContact NE2-N 3.39Å; F830-T834 HydrophobicContact CD1-CG2 3.97Å; F830-T834 HydrophobicContact CD2-CG2 4.2Å; F830-T834 HydrophobicContact CE1-CG2 3.67Å; F830-T834 HydrophobicContact CE2-CG2 3.9Å; F830-T834 HydrophobicContact CG-CG2 4.24Å; F830-T834 HydrophobicContact CZ-CG2 3.63Å; F830-T834 WeakPolarHBondContact O-CB 3.43Å; F830-T834 WeakPolarHBondContact O-CG2 3.43Å; F830-T834 PolarHBondContact O-N 3.02Å; F830-T834 PolarHBondContact O-OG1 3.06Å; T834-D836 VanDerWaalsContact C-N 3.26Å; T834-D836 PolarHBondContact O-N 3.18Å
835	R	50.4	Low	54.5	Low	168 Å²	168	102.8 Å²	102.8	63%	0.634	52%	0.524	S	S	*	.			trans	-78.3	61.9	-167.3	-164.5	-179.7	173.6	127	-1.2	114.1	L832 F833 H837	L832-R835 WeakPolarHBondContact O-CB 3.41Å; F833-R835 PolarHBondContact O-N 3.49Å; F833-R835 VanDerWaalsContact O-N 3.14Å; R835-H837 PolarHBondContact NE-NE2 2.93Å; R835-H837 PolarHBondContact NH2-NE2 3.24Å
836	D	44.5	Very low	52	Low	142 Å²	142	105.9 Å²	105.9	76%	0.759	55%	0.547	S	S	*	.			trans	-74.2	121.1	160.1	-161.7	-9.2	0	0	0	108.9	T834 S838	T834-D836 VanDerWaalsContact C-N 3.26Å; T834-D836 PolarHBondContact O-N 3.18Å; D836-S838 PolarHBondContact O-N 3.01Å
837	H	37.7	Very low	49.4	Very low	144 Å²	144	115.6 Å²	115.6	67%	0.667	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	17.5	-139.9	-137.2	-81	0	0	0	115	R835	R835-H837 PolarHBondContact NE-NE2 2.93Å; R835-H837 PolarHBondContact NH2-NE2 3.24Å
838	S	38.6	Very low	46.9	Very low	85 Å²	85	122.1 Å²	122.1	59%	0.594	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	-12.5	-156.2	61.6	0	0	0	0	117.8	D836	D836-S838 PolarHBondContact O-N 3.01Å
839	Q	41.5	Very low	44.5	Very low	163 Å²	163	129.8 Å²	129.8	76%	0.762	65%	0.654	S	S	*	*	S	Bend	trans	-115.9	-8.5	-167.9	-64.3	-164.2	5.1	0	0	117.6	F841	Q839-F841 VanDerWaalsContact C-N 3.32Å; Q839-F841 PolarHBondContact O-N 3.33Å
840	L	38.8	Very low	42.3	Very low	164 Å²	164	134.4 Å²	134.4	86%	0.859	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	-9.7	-178	-115.7	80.8	0	0	0	115.4
841	F	34.4	Very low	40.4	Very low	207 Å²	207	142.6 Å²	142.6	91%	0.908	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	22.3	-167.7	-96.4	-76.9	0	0	0	115.3	Q839	Q839-F841 VanDerWaalsContact C-N 3.32Å; Q839-F841 PolarHBondContact O-N 3.33Å
842	S	27.3	Very low	38.3	Very low	93 Å²	93	148.6 Å²	148.6	65%	0.65	76%	0.755	S	S	*	*			trans	-113.7	76.6	176	64	0	0	0	0	112.7	S844	S842-S844 PolarHBondContact O-N 3.13Å
843	W	29.8	Very low	36.2	Very low	255 Å²	255	154.2 Å²	154.2	97%	0.966	77%	0.768	S	S	*	*			trans	-71.8	124.7	165.1	-92.2	4.1	0	0	0	110.8
844	S	27.1	Very low	34.5	Very low	115 Å²	115	161.1 Å²	161.1	80%	0.804	79%	0.791	S	S	*	*			trans	61.7	107.8	156.5	-60.3	0	0	0	0	119.8	S842	S842-S844 PolarHBondContact O-N 3.13Å
845	C	24.7	Very low	32.9	Very low	119 Å²	119	164.7 Å²	164.7	80%	0.804	81%	0.808	S	S	*	*				-157.3	120.7	126.1	-158.2	0	0	0	0	111.6
846	P	33.7	Very low	31.7	Very low	122 Å²	122	167 Å²	167	79%	0.792	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-79.9	128.4	-179.8	31.1	-33.3	0	0	0	111.8
847	K	29.5	Very low	30.9	Very low	206 Å²	206	166.8 Å²	166.8	90%	0.896	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-99.4	124	167.7	-74.7	-172.5	177	178.7	0	110.7
848	T	29.1	Very low	30.4	Very low	138 Å²	138	166.5 Å²	166.5	85%	0.847	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.6	140.7	179.9	37.3	0	0	0	0	112.3
849	R	29.5	Very low	29.8	Very low	236 Å²	236	169.3 Å²	169.3	89%	0.891	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-76.6	135.1	168.3	-74.8	177.3	169.7	170.1	-4.7	110.5
850	P	31.3	Very low	29.1	Very low	124 Å²	124	166.8 Å²	166.8	81%	0.805	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-77	143.8	144.7	32.8	-29.9	0	0	0	109.7
851	Q	33.8	Very low	28.7	Very low	186 Å²	186	166.5 Å²	166.5	87%	0.869	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-89.8	145.9	169.7	-66.1	176.8	-12.6	0	0	110.1
852	L	28.1	Very low	28.3	Very low	185 Å²	185	163.4 Å²	163.4	97%	0.969	83%	0.829	S	S	*	*			trans	-139.1	153.3	153.7	-143.2	74.7	0	0	0	109.8
853	R	27.1	Very low	28.3	Very low	233 Å²	233	163.7 Å²	163.7	88%	0.879	83%	0.831	S	S	*	*			trans	-145.9	120.6	-155.9	174.1	-170.3	-178.2	-171.6	2.9	111.1
854	R	26.4	Very low	28.2	Very low	240 Å²	240	157.2 Å²	157.2	91%	0.906	82%	0.819	S	S	*	*			trans	169.2	161.2	163.7	-100	172.2	167.9	156.3	-1.7	107.9
855	D	26.9	Very low	28.2	Very low	134 Å²	134	159.8 Å²	159.8	72%	0.717	82%	0.818	S	S	*	*			cis	-161.6	180	-44.8	-139.7	-51.4	0	0	0	107.9
856	R	26.4	Very low	28.3	Very low	216 Å²	216	160.3 Å²	160.3	82%	0.815	82%	0.818	S	S	*	*			trans	-58.8	147.9	-175.9	-62.6	152.7	158.4	-177.6	-7.8	116
857	T	27.1	Very low	28.1	Very low	138 Å²	138	162.6 Å²	162.6	85%	0.847	82%	0.818	S	S	*	*				149.8	155.1	118.9	48	0	0	0	0	109.9
858	L	27.9	Very low	27.9	Very low	138 Å²	138	161.6 Å²	161.6	72%	0.723	81%	0.814	S	S	*	*			cis	163.7	134.2	-18.1	-178.7	98.2	0	0	0	103.3
859	D	26.2	Very low	27.8	Very low	144 Å²	144	159.6 Å²	159.6	77%	0.77	81%	0.806	S	S	*	*			trans	62.7	159.1	166.4	-69.9	-5.9	0	0	0	117.9
860	S	25.7	Very low	27.8	Very low	109 Å²	109	153 Å²	153	76%	0.762	80%	0.795	S	S	*	*			cis	-154	-172.2	-11.7	47.2	0	0	0	0	110.9
861	L	29.9	Very low	27.7	Very low	158 Å²	158	152.8 Å²	152.8	83%	0.827	80%	0.796	S	S	*	*			trans	-68.1	152.9	-178.5	-58.7	80.9	0	0	0	113.5
862	V	27.7	Very low	27.4	Very low	143 Å²	143	148.8 Å²	148.8	87%	0.867	79%	0.788	S	S	*	*				-179.1	160.3	112.3	148.9	0	0	0	0	110.5
863	S	25.9	Very low	27.6	Very low	99 Å²	99	146.8 Å²	146.8	69%	0.692	78%	0.779	S	S	*	*			trans	-99.3	-172.4	-172.3	50	0	0	0	0	114.4
864	V	27.5	Very low	27.7	Very low	119 Å²	119	140.5 Å²	140.5	72%	0.721	77%	0.77	S	S	*	*			trans	96.5	97.1	163.8	-168.8	0	0	0	0	117.3
865	E	27.3	Very low	27.9	Very low	168 Å²	168	133.7 Å²	133.7	79%	0.785	76%	0.759	S	S	*	*				40.4	117	112.7	-118.8	160.9	-131.3	0	0	117.8
866	T	27.3	Very low	27.9	Very low	130 Å²	130	132.7 Å²	132.7	80%	0.798	76%	0.758	S	S	*	*				-178.8	162.4	82.9	27	0	0	0	0	113.9
867	E	29.3	Very low	28	Very low	171 Å²	171	130.4 Å²	130.4	80%	0.799	76%	0.757	S	S	*	*			trans	-42.1	154	-179.9	-45.4	173.4	130	0	0	120
868	K	25.6	Very low	28	Very low	184 Å²	184	129.8 Å²	129.8	80%	0.8	75%	0.753	S	S	*	*				-173.2	136.6	109	-104.5	168.2	-173.7	171.1	0	117.5
869	S	27	Very low	27.8	Very low	97 Å²	97	127.8 Å²	127.8	68%	0.678	75%	0.75	S	S	*	*			trans	15.2	148.8	136.2	62.1	0	0	0	0	121.3
870	S	29	Very low	27.8	Very low	96 Å²	96	128.3 Å²	128.3	67%	0.671	75%	0.752	S	S	*	*			cis	177.9	173.6	-2.3	48.1	0	0	0	0	110.5
871	C	29.8	Very low	27.8	Very low	121 Å²	121	128.4 Å²	128.4	82%	0.818	75%	0.748	S	S	*	*			trans	71	155.9	166.5	-56.3	0	0	0	0	115.5
872	S	28	Very low	27.6	Very low	102 Å²	102	127.9 Å²	127.9	71%	0.713	75%	0.747	S	S	*	*			cis	-172	165.2	-13.9	48.2	0	0	0	0	107
873	D	30.9	Very low	27.6	Very low	143 Å²	143	125.3 Å²	125.3	77%	0.765	74%	0.74	S	S	*	*			cis	-157.7	-178.1	8.2	-137.7	-41.1	0	0	0	112.4
874	S	30.6	Very low	27.6	Very low	100 Å²	100	128 Å²	128	70%	0.699	75%	0.747	S	S	*	*			trans	-8.9	160.4	163.6	69.6	0	0	0	0	121.9
875	S	28.8	Very low	27.6	Very low	97 Å²	97	126.6 Å²	126.6	68%	0.678	75%	0.747	S	S	*	*			cis	-148.9	151.7	19.3	65.5	0	0	0	0	110.7
876	T	28.8	Very low	27.5	Very low	113 Å²	113	125.8 Å²	125.8	69%	0.693	75%	0.745	S	S	*	*				50.3	137.2	62.6	53.7	0	0	0	0	114
877	Q	28.6	Very low	27.4	Very low	168 Å²	168	127.6 Å²	127.6	79%	0.785	74%	0.739	S	S	*	*			cis	-154.4	155	11.3	-122	166.1	-9	0	0	109.6
878	V	26.5	Very low	27.2	Very low	125 Å²	125	129.4 Å²	129.4	76%	0.758	74%	0.738	S	S	*	*				52.8	135	104.4	176.9	0	0	0	0	114.6
879	S	23.8	Very low	27.2	Very low	97 Å²	97	129.2 Å²	129.2	68%	0.678	74%	0.74	S	S	*	*			cis	-161	173.4	32.9	22.9	0	0	0	0	114
880	L	25.1	Very low	27.2	Very low	154 Å²	154	128.3 Å²	128.3	81%	0.806	75%	0.746	S	S	*	*			trans	15.4	149.3	144.8	-71.3	72.8	0	0	0	120.2
881	T	26.1	Very low	27.1	Very low	111 Å²	111	129.7 Å²	129.7	68%	0.681	76%	0.756	S	S	*	*			cis	-161.8	155.4	34.1	-10.2	0	0	0	0	112.8
882	D	26.4	Very low	27	Very low	148 Å²	148	130.3 Å²	130.3	79%	0.791	76%	0.756	S	S	*	*			trans	26.4	147.5	142.7	-57	-20.5	0	0	0	125.9
883	A	27.6	Very low	27.4	Very low	88 Å²	88	130.2 Å²	130.2	73%	0.727	75%	0.753	S	S	*	*			trans	91	119.1	141.4	0	0	0	0	0	122.4
884	D	25.9	Very low	27.2	Very low	157 Å²	157	132.1 Å²	132.1	84%	0.84	76%	0.757	S	S	*	*			trans	61.4	109.3	136.7	-68.5	-10.7	0	0	0	124.1
885	A	26.7	Very low	27.5	Very low	88 Å²	88	132.6 Å²	132.6	73%	0.727	76%	0.758	S	S	*	*				81.1	122.5	114.1	0	0	0	0	0	122.6
886	M	24.7	Very low	27.3	Very low	152 Å²	152	131.7 Å²	131.7	75%	0.749	76%	0.764	S	S	*	*			trans	88.1	139	133.2	-96	-175	171.6	0	0	122.2
887	Y	26.1	Very low	27.1	Very low	167 Å²	167	137.1 Å²	137.1	66%	0.655	77%	0.772	S	S	*	*			trans	70.2	119.3	160.2	-71.2	-52.7	0	0	0	117.6
888	R	25	Very low	27	Very low	209 Å²	209	135.9 Å²	135.9	79%	0.789	77%	0.766	S	S	*	*				74	133.7	91.8	-116.1	-176.1	-166	160.3	-0.4	110.1
889	E	26.3	Very low	26.9	Very low	181 Å²	181	136.9 Å²	136.9	85%	0.846	77%	0.773	S	S	*	*			cis	-138.4	177.2	31.5	-62.6	-177.6	120.9	0	0	112.8
890	G	27.3	Very low	27	Very low	78 Å²	78	137.4 Å²	137.4	80%	0.804	77%	0.772	S	S	*	*			trans	-111.7	141.8	171	0	0	0	0	0	111.5
891	S	26.2	Very low	27.1	Very low	125 Å²	125	140.6 Å²	140.6	87%	0.874	77%	0.773	S	S	*	*			trans	-137.4	132.9	167.5	48.8	0	0	0	0	111.1
892	T	26.7	Very low	27.1	Very low	133 Å²	133	144.8 Å²	144.8	82%	0.816	78%	0.783	S	S	*	*			trans	-90.1	-173	169.9	59.3	0	0	0	0	108.3
893	P	36.4	Very low	27	Very low	101 Å²	101	141.5 Å²	141.5	66%	0.656	77%	0.771	S	S	*	*			cis	-142.5	164.3	0.8	42.1	-24.1	0	0	0	117.6
894	Q	26.9	Very low	27	Very low	182 Å²	182	145.9 Å²	145.9	85%	0.85	78%	0.777	S	S	*	*			trans	62	-174.9	140.5	-77.2	-168.3	8.1	0	0	119.2
895	P	38	Very low	26.9	Very low	111 Å²	111	143.2 Å²	143.2	72%	0.721	77%	0.769	S	S	*	*				-137.6	162.7	-61.9	40	-25.5	0	0	0	116.4
896	G	24.1	Very low	27	Very low	78 Å²	78	143.9 Å²	143.9	80%	0.804	77%	0.768	S	S	*	*			trans	72.7	-179	161.3	0	0	0	0	0	115.1
897	R	25.5	Very low	27.2	Very low	226 Å²	226	141.6 Å²	141.6	85%	0.853	77%	0.767	S	S	*	*			cis	-162	154	-9.3	-134.8	-169.3	179.7	-179.8	4.5	104
898	E	26.4	Very low	27.4	Very low	143 Å²	143	139.8 Å²	139.8	67%	0.668	77%	0.774	S	S	*	*			cis	-151.6	164.2	26.8	-57.8	-171.6	136.1	0	0	111.1
899	T	24.5	Very low	27.4	Very low	146 Å²	146	134.5 Å²	134.5	90%	0.896	77%	0.769	S	S	*	*			trans	-122.5	142.3	159.3	36	0	0	0	0	109.4
900	T	25.9	Very low	27.5	Very low	108 Å²	108	130.4 Å²	130.4	66%	0.663	76%	0.76	S	S	*	*			trans	-138.3	158.4	-179.1	59.4	0	0	0	0	112.8
901	R	25.9	Very low	27.7	Very low	221 Å²	221	132.7 Å²	132.7	83%	0.834	76%	0.759	S	S	*	*			trans	90.2	111	175.1	-57.4	-177.6	-176	-164	-2.2	113.9
902	F	26.1	Very low	27.9	Very low	199 Å²	199	135.2 Å²	135.2	87%	0.873	76%	0.756	S	S	*	*				68.4	133.9	73.8	-84.2	-115.5	0	0	0	111.6
903	S	25.2	Very low	27.9	Very low	79 Å²	79	137 Å²	137	55%	0.552	76%	0.76	S	S	*	*			cis	-176.7	153	-3.7	44.1	0	0	0	0	111.7
904	Q	26.3	Very low	27.6	Very low	180 Å²	180	139.6 Å²	139.6	84%	0.841	77%	0.767	S	S	*	*			trans	66.9	147.9	151.8	-75.5	172.1	-16.8	0	0	117.9
905	C	24.9	Very low	28.1	Very low	101 Å²	101	136.8 Å²	136.8	68%	0.682	76%	0.764	S	S	*	*			cis	-157.1	154.6	-7.5	-139.8	0	0	0	0	112.8
906	S	28.5	Very low	27.4	Very low	101 Å²	101	137 Å²	137	71%	0.706	77%	0.767	S	S	*	*			trans	43.1	143.4	142.2	59.8	0	0	0	0	121.9
907	S	30.2	Very low	27.5	Very low	104 Å²	104	142 Å²	142	73%	0.727	77%	0.769	S	S	*	*			cis	174	158.9	-3.7	49.5	0	0	0	0	106.4
908	T	28.4	Very low	27.8	Very low	129 Å²	129	137.1 Å²	137.1	79%	0.791	76%	0.764	S	S	*	*			cis	-163.2	175.7	3.7	2.3	0	0	0	0	105.6
909	S	26.9	Very low	28.5	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	77%	0.765	S	S	*	*			cis	-143.6	-178.1	7.6	64.2	0	0	0	0	107.6
910	S	28.4	Very low	28.8	Very low	95 Å²	95	136 Å²	136	66%	0.664	76%	0.762	S	S	*	*			cis	73.7	143.9	13.7	84	0	0	0	0	115.9
911	V	30.5	Very low	29	Very low	126 Å²	126	135.3 Å²	135.3	76%	0.764	77%	0.766	S	S	*	*			cis	-134.2	164.4	3.4	177.9	0	0	0	0	110
912	H	29.9	Very low	29.3	Very low	178 Å²	178	131.1 Å²	131.1	82%	0.824	77%	0.766	S	S	*	*			trans	-47.9	156.8	174.1	-57.3	-90.3	0	0	0	117.6
913	L	27	Very low	29.5	Very low	171 Å²	171	125.9 Å²	125.9	90%	0.895	76%	0.759	S	S	*	*				-166.1	162.8	121.1	-104.3	161.7	0	0	0	112.8
914	I	30.7	Very low	29.8	Very low	155 Å²	155	132.6 Å²	132.6	80%	0.795	78%	0.778	S	S	*	*			trans	-133	131.1	175	-68.9	175.5	0	0	0	104.1
915	P	36.8	Very low	30.1	Very low	122 Å²	122	127.4 Å²	127.4	79%	0.792	77%	0.773	S	S	*	*				-147	-170.8	65.7	40	-18.9	0	0	0	116.7
916	C	23.9	Very low	30.5	Very low	117 Å²	117	132.9 Å²	132.9	79%	0.791	78%	0.779	S	S	*	*			trans	-64.4	153.1	-180	-41.7	0	0	0	0	114.4
917	Q	26.7	Very low	30.8	Very low	182 Å²	182	133 Å²	133	85%	0.85	77%	0.769	S	S	*	*				177.3	126.7	108.8	-106.2	-165.9	-7.9	0	0	117.5
918	V	30.5	Very low	30.9	Very low	124 Å²	124	137.7 Å²	137.7	75%	0.752	77%	0.771	S	S	*	*			trans	62.6	-175.9	151.8	-125.5	0	0	0	0	118.4
919	P	41.8	Very low	31.5	Very low	104 Å²	104	137.2 Å²	137.2	68%	0.675	77%	0.767	S	S	*	*				-133.1	-158.8	-110.9	46	-26.8	0	0	0	117.4
920	I	29.4	Very low	32.1	Very low	162 Å²	162	137.9 Å²	137.9	83%	0.831	77%	0.767	S	S	*	*			trans	95.4	141	162	-70.4	152.7	0	0	0	117
921	A	31.6	Very low	33	Very low	92 Å²	92	145.8 Å²	145.8	76%	0.76	79%	0.794	S	S	*	*			trans	-120.8	136.3	-177.8	0	0	0	0	0	112.4
922	T	31.7	Very low	33.1	Very low	134 Å²	134	146.8 Å²	146.8	82%	0.822	80%	0.795	S	S	*	*			trans	-151.4	118.7	154.4	44.8	0	0	0	0	106.4
923	A	30.5	Very low	33.3	Very low	88 Å²	88	145.2 Å²	145.2	73%	0.727	79%	0.794	S	S	*	*				88.3	131.7	56.3	0	0	0	0	0	113.4
924	K	32.2	Very low	33.6	Very low	220 Å²	220	143.7 Å²	143.7	96%	0.957	79%	0.788	S	S	*	*			trans	72.5	127.5	-174.1	-52.9	171.4	-177.9	172.6	0	114.6
925	G	30.9	Very low	33.8	Very low	71 Å²	71	143.1 Å²	143.1	73%	0.732	79%	0.788	S	S	*	*			cis	142.3	172.6	-11.7	0	0	0	0	0	113.6
926	R	34	Very low	33.6	Very low	217 Å²	217	144.4 Å²	144.4	82%	0.819	79%	0.787	S	S	*	*			trans	71.1	147.9	174.2	-100.7	-177.9	162	127.3	4.1	115
927	E	34.2	Very low	34.2	Very low	104 Å²	104	146.2 Å²	146.2	49%	0.486	79%	0.787	S	S	.	*			cis	-160.1	139.8	1.6	-164.4	142.8	-149.3	0	0	113.3
928	R	33.7	Very low	34.8	Very low	202 Å²	202	143.6 Å²	143.6	76%	0.762	78%	0.783	S	S	*	*			trans	65.6	152.8	149.4	-83.1	179.2	-129	-167.5	11.6	120
929	V	39.4	Very low	35.1	Very low	119 Å²	119	145.2 Å²	145.2	72%	0.721	79%	0.785	S	S	*	*			cis	-156.2	-175.9	-15.6	81.8	0	0	0	0	110.2
930	T	41.5	Very low	34.6	Very low	112 Å²	112	148.6 Å²	148.6	69%	0.687	79%	0.794	S	S	*	*			trans	-32.6	157.7	171.3	52.3	0	0	0	0	116.7
931	E	45.6	Very low	35	Very low	262 Å²	262	147.4 Å²	147.4	100%	1.224	79%	0.791	S	S	*	*			cis	-122.3	0	28.7	-62.9	174	137	0	0	115.3

Retrieved 931 of 931 residues in 277.2 ms (Link to these results)

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