A0A087XAV6_POEFO Loading...

Cartilage intermediate layer protein, nucleotide pyrophosphohydrolase

AlphaFold DB , UniProt , Accession A0A087XAV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,159 aa.

						>A0A087XAV6_POEFO|A0A087XAV6
MSHRSLLIFLGITAAAVLTVQGSWRGDNKESNPAVYHSNDNFEWTTWFNVDHPGGRGDYEQLDAIRFYYRTRVCETPRAIEARTTEWVPARETGEVVHADPTVGFWCLNEEQSPGSNCSNYAVRFLCPKERSVNTQGTWGLWSNWSPCPALCGQVGVQLRHRNCKSQSVTCNGPKIEGKPCNGPECVKTDCYLHCMIGRVNADCDACMCEEHVLLGSVRSAGGLIAEGAAILRSGKLLTLTDHNGHFRVPGICPDGNTTLTVSLLGHATLDVVVPLTTERTSVLSVQLKRAEKLHVLSNPESKARREGQSAAFCCKVAGTPQPNKYQWFHNNILMEMQSESTLVLKDLHPEQAGEYYCRASGPSGAVKSKPATLKIIGREEHSCNPTPESHLIRLPHDCYQNSTNSFYYDVGKCPPGTCAGQLDNAIRCKDNVAYCCGVAKMEERQLTCQGYQLPTMVVTECGCQKCVDTQAVVYGRAIAADNGEPMRFGHIFMNGVRISRTGYKGTFSVQVPPDTERLVLTFVDNMQKFVNTTKVLPFNTKGGAVYHEIKVLRKKAPVTISSSETNTLNLGEVEGQEVMVQIQIPPHSFYKENGEVFTGNVNASVTFLDPRDVTTAAAASSDLNFIGGEGDMLPLRTYGMFSVDFRGEENNEPLNAGEVKVFLDSAQVKMSEHLSNMKLWSLNPETGLWEEEGSLQLDKRRRGKREERTFLIGNMEIRERRLFNLDVPENRRCYVKVRAFRSERFMPSEQVEGVVVSLINMEPTAGYSSNPRAWGRFDSVVTGPNGACLPAFCDEQKPDAYSAYVMANLGGEELEAVSSAPKLNPSLVGVPQPYLRKLNYRRTDHEDSRVKKTAFSINVAKPSPNAAEESNGPVYAFEKLKECEEAPFSAAHFRFSRVEGDRYDYNTVPFNEDDPMSWTEDYLSWWPKPMEYRACYIKVKINSPHEINVRSRNMGGTHPKTVGQLYGLRDTRSIRDMEQANVSAVCLEFKCSGMLYDQDRVDRTLVKVIPQGSCKRDHVNTMLQDYLVNHLPLAVNNDTNEFTMLAPLDSLGHNYGIYTETEQDPRTAKEIALGRCFDGTSDGTSRVMKTNEGVALSFSCGDREVTRQSIFQAMQSSQSQIVTSVARGDNRKTRRRQRANTLRRSGKRSARNPTGGKR
					

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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	31.4	Very low	28	Very low	246 Å²	246	146.6 Å²	146.6	100%	1.212	77%	0.766	S	S	*	*				0	87.1	0	-75	173.1	165.3	0	0	106.7
2	S	29.3	Very low	28.2	Very low	101 Å²	101	147.5 Å²	147.5	71%	0.706	77%	0.77	S	S	*	*				100.9	94.1	93.2	-161.1	0	0	0	0	108.1
3	H	26.9	Very low	28.4	Very low	153 Å²	153	145.8 Å²	145.8	71%	0.708	77%	0.77	S	S	*	*				76.7	140.7	104.5	-78.9	-23.4	0	0	0	112.2
4	R	28	Very low	28.2	Very low	205 Å²	205	142.6 Å²	142.6	77%	0.774	77%	0.774	S	S	*	*			cis	177	149.5	5.4	-107.9	173.8	-179.8	-161.6	0.6	101.2
5	S	28.3	Very low	28.3	Very low	87 Å²	87	140.5 Å²	140.5	61%	0.608	78%	0.784	S	S	*	*			cis	-162	129.4	11.2	-91.1	0	0	0	0	107.3
6	L	24.9	Very low	28.2	Very low	149 Å²	149	137.6 Å²	137.6	78%	0.78	78%	0.783	S	S	*	*			trans	50.4	130.6	141	-69.1	108.2	0	0	0	120.2
7	L	26.9	Very low	28.1	Very low	136 Å²	136	138.2 Å²	138.2	71%	0.712	79%	0.79	S	S	*	*			cis	-171.8	103.3	-17.3	-128	143.9	0	0	0	107.1
8	I	30.1	Very low	28	Very low	143 Å²	143	139.2 Å²	139.2	73%	0.733	79%	0.791	S	S	*	*				57.2	105.1	128	-54.1	174.7	0	0	0	120.9
9	F	27.7	Very low	27.8	Very low	177 Å²	177	138.8 Å²	138.8	78%	0.776	79%	0.793	S	S	*	*				41.4	131.9	122.5	-78.5	-73.7	0	0	0	125.4
10	L	28	Very low	27.7	Very low	159 Å²	159	139.1 Å²	139.1	83%	0.832	80%	0.796	S	S	*	*			trans	57.6	136.2	139.1	-74.5	151.2	0	0	0	118.4
11	G	26.4	Very low	27.6	Very low	57 Å²	57	141.6 Å²	141.6	59%	0.588	80%	0.801	S	S	*	*			cis	165	130.5	5.3	0	0	0	0	0	108.8
12	I	30	Very low	27.3	Very low	157 Å²	157	133.4 Å²	133.4	81%	0.805	78%	0.78	S	S	*	*			trans	47.2	122.6	148.7	-12	-177.8	0	0	0	117.1
13	T	30.8	Very low	27.1	Very low	126 Å²	126	133.2 Å²	133.2	77%	0.773	78%	0.778	S	S	*	*				-173.7	166	55.5	36.1	0	0	0	0	109.9
14	A	26.3	Very low	27.1	Very low	100 Å²	100	138.4 Å²	138.4	83%	0.826	79%	0.792	S	S	*	*			trans	90.6	119.9	164.1	0	0	0	0	0	117.3
15	A	29.3	Very low	27	Very low	112 Å²	112	139.9 Å²	139.9	93%	0.926	80%	0.798	S	S	*	*			trans	-74.2	132.7	-176.4	0	0	0	0	0	112.1
16	A	26.9	Very low	27	Very low	93 Å²	93	139.1 Å²	139.1	77%	0.769	80%	0.803	S	S	*	*			trans	-147.1	130.8	164.7	0	0	0	0	0	108.3
17	V	26.8	Very low	27.1	Very low	149 Å²	149	140.1 Å²	140.1	90%	0.903	81%	0.809	S	S	*	*			trans	-142	118.9	150	179.5	0	0	0	0	108.8
18	L	26.4	Very low	27.2	Very low	155 Å²	155	140.8 Å²	140.8	81%	0.812	81%	0.814	S	S	*	*			trans	-72.9	144.9	169.8	-81.6	148	0	0	0	111.6
19	T	23.1	Very low	27	Very low	133 Å²	133	143.2 Å²	143.2	82%	0.816	82%	0.819	S	S	*	*			trans	-74	148.1	154	41.5	0	0	0	0	110.7
20	V	26.6	Very low	27.2	Very low	143 Å²	143	143.2 Å²	143.2	87%	0.867	82%	0.821	S	S	*	*			trans	-121.9	132.1	167.7	167	0	0	0	0	109.2
21	Q	26.5	Very low	27.1	Very low	193 Å²	193	141.6 Å²	141.6	90%	0.902	82%	0.823	S	S	*	*			trans	-75.3	158.6	178	-66.6	167.5	-41.5	0	0	114.2
22	G	24.4	Very low	27.3	Very low	74 Å²	74	146.4 Å²	146.4	76%	0.763	84%	0.836	S	S	*	*			trans	-145.3	107.1	142.9	0	0	0	0	0	107.5
23	S	24.4	Very low	28.4	Very low	96 Å²	96	144.3 Å²	144.3	67%	0.671	83%	0.832	S	S	*	*				73.5	119.5	75.6	-170.1	0	0	0	0	114.5
24	W	26.9	Very low	28.3	Very low	263 Å²	263	142.3 Å²	142.3	100%	0.996	83%	0.828	S	S	*	*			trans	-146.8	129.8	139.5	-82.1	96.3	0	0	0	111
25	R	26.7	Very low	28.6	Very low	236 Å²	236	143.3 Å²	143.3	89%	0.891	82%	0.824	S	S	*	*			trans	-76.7	152.2	178.6	-77.9	177.6	171.6	-168	-2.4	112.3
26	G	27.5	Very low	28.6	Very low	70 Å²	70	147.5 Å²	147.5	72%	0.722	82%	0.817	S	S	*	*			trans	-97.6	-165.7	175.5	0	0	0	0	0	115.7
27	D	27.6	Very low	28.7	Very low	171 Å²	171	151 Å²	151	91%	0.914	82%	0.817	S	S	*	*			trans	-169.1	160.5	142.8	-112.9	-29.3	0	0	0	113.6
28	N	28.7	Very low	29.4	Very low	150 Å²	150	148.4 Å²	148.4	80%	0.802	81%	0.805	S	S	*	*			trans	-90	164.8	-161.3	-95.7	-42.6	0	0	0	117.9
29	K	27.2	Very low	30	Very low	194 Å²	194	148.7 Å²	148.7	84%	0.843	81%	0.808	S	S	*	*			trans	111	140.5	132.7	-106.1	176.4	-178.7	178.9	0	122
30	E	31.6	Very low	31.6	Very low	177 Å²	177	147.1 Å²	147.1	83%	0.827	79%	0.794	S	S	*	*			trans	-69.4	153.1	-166	-61.6	163.4	125.2	0	0	117.2
31	S	25.6	Very low	33.5	Very low	125 Å²	125	144.8 Å²	144.8	87%	0.874	78%	0.777	S	S	*	*				-175.4	144.3	129	43.2	0	0	0	0	111.1
32	N	30	Very low	35.6	Very low	158 Å²	158	138.9 Å²	138.9	85%	0.845	75%	0.749	S	S	*	*			trans	-136.4	168.6	175.4	-141.8	13	0	0	0	106.4
33	P	53.8	Low	38.4	Very low	112 Å²	112	140.7 Å²	140.7	73%	0.727	74%	0.737	S	S	*	*			cis	-128	-176.3	-3.9	38.1	-16.6	0	0	0	111
34	A	29.1	Very low	41.3	Very low	84 Å²	84	140.9 Å²	140.9	69%	0.694	72%	0.723	S	S	*	*			cis	-169.7	169.6	35	0	0	0	0	0	110.9
35	V	31.2	Very low	44.2	Very low	121 Å²	121	129.5 Å²	129.5	73%	0.733	68%	0.683	S	S	*	*			trans	112.4	95.4	153.2	-175.9	0	0	0	0	116.9
36	Y	29	Very low	47	Very low	200 Å²	200	122.5 Å²	122.5	78%	0.784	67%	0.666	S	S	*	*			trans	51	127.6	137.3	-71.4	-89.7	0	0	0	119.4
37	H	29.1	Very low	50	Low	167 Å²	167	122.1 Å²	122.1	77%	0.773	64%	0.643	S	S	*	*			cis	-155.8	154.9	32.7	-100.5	-78.1	0	0	0	110.8
38	S	43.2	Very low	52.9	Low	94 Å²	94	114.1 Å²	114.1	66%	0.657	60%	0.6	S	S	*	*			trans	-52.5	146.1	178.1	55.3	0	0	0	0	117.4
39	N	39	Very low	55.8	Low	162 Å²	162	108.9 Å²	108.9	87%	0.866	57%	0.572	S	S	*	*			trans	-142.1	94.2	142.6	-115.1	-7.2	0	0	0	110.5
40	D	56.8	Low	58.5	Low	99 Å²	99	101.6 Å²	101.6	53%	0.529	54%	0.544	S	S	.	.			trans	-108.2	72.5	-162.5	-162.7	32.2	0	0	0	107.9	K129	D40-K129 WeakPolarHBondContact O-CD 3.48Å; D40-K129 IonicContact OD1-NZ 2.84Å; D40-K129 IonicContact OD2-NZ 2.68Å; D40-K129 PolarHBondContact OD2-NZ 3.17Å
41	N	65.4	Low	60.8	Low	95 Å²	95	95.7 Å²	95.7	51%	0.508	52%	0.518	S	S	.	.			trans	-107.7	-0.3	-176	-82.2	1.6	0	0	0	113.7	P128 K129	N41-P128 CarbonylContact O-C 3.24Å; N41-P128 WeakPolarHBondContact O-CA 3.47Å; N41-K129 PolarHBondContact O-N 2.87Å
42	F	70.4	Confident	63.2	Low	69 Å²	69	95.6 Å²	95.6	30%	0.303	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	136.1	174.2	-70.3	-101.8	0	0	0	110.4	R78 L126 C127 P128	F42-R78 HydrophobicContact CD1-CB 4.26Å; F42-R78 HydrophobicContact CE1-CB 4.06Å; F42-R78 HydrophobicContact CE1-CG 4.48Å; F42-R78 VanDerWaalsContact CE2-NH1 3.25Å; F42-L126 HydrophobicContact CB-CD1 3.77Å; F42-L126 HydrophobicContact CB-CD2 4.36Å; F42-L126 HydrophobicContact CB-CG 3.87Å; F42-L126 HydrophobicContact CD1-CG 4.34Å; F42-L126 HydrophobicContact CG-CG 4.47Å; F42-C127 CarbonylContact C-O 3.4Å; F42-C127 WeakPolarHBondContact CA-O 3.02Å; F42-P128 HydrophobicContact CD1-CB 4.12Å; F42-P128 HydrophobicContact CD1-CG 4.08Å; F42-P128 HydrophobicContact CE1-CB 3.84Å; F42-P128 HydrophobicContact CE1-CG 3.56Å; F42-P128 HydrophobicContact CZ-CB 4.09Å; F42-P128 HydrophobicContact CZ-CG 4.11Å
43	E	84	Confident	65.1	Low	111 Å²	111	89.9 Å²	89.9	52%	0.519	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.4	175.5	61	-177.7	-163.2	0	0	111.5	C127 K129	E43-C127 PolarHBondContact N-O 2.99Å; E43-C127 PolarHBondContact O-N 3.1Å; E43-K129 HydrophobicContact CG-CG 4.45Å; E43-K129 WeakPolarHBondContact OE2-CE 3.35Å; E43-K129 IonicContact OE2-NZ 2.83Å
44	W	85.6	Confident	65.4	Low	101 Å²	101	87.5 Å²	87.5	38%	0.383	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.3	172.1	-75	104.3	0	0	0	109.6	A79 E81 R124 F125 L126	W44-A79 HydrophobicContact CH2-CB 3.61Å; W44-A79 HydrophobicContact CZ2-CB 4.31Å; W44-A79 HydrophobicContact CZ3-CB 4.31Å; W44-E81 HydrophobicContact CH2-CB 4.07Å; W44-E81 HydrophobicContact CZ3-CB 3.99Å; W44-R124 HydrophobicContact CE3-CG 3.86Å; W44-R124 HydrophobicContact CZ3-CG 4.34Å; W44-F125 CarbonylContact C-O 3.5Å; W44-F125 WeakPolarHBondContact CA-O 3.47Å; W44-L126 HydrophobicContact CD2-CB 3.99Å; W44-L126 HydrophobicContact CD2-CD1 3.89Å; W44-L126 HydrophobicContact CD2-CG 4.49Å; W44-L126 HydrophobicContact CE3-CB 3.83Å; W44-L126 HydrophobicContact CG-CD1 3.92Å; W44-L126 HydrophobicContact CH2-CB 3.94Å; W44-L126 HydrophobicContact CZ2-CB 4.07Å; W44-L126 HydrophobicContact CZ2-CD1 4.44Å; W44-L126 HydrophobicContact CZ2-CD2 4.27Å; W44-L126 HydrophobicContact CZ2-CG 4.49Å; W44-L126 HydrophobicContact CZ3-CB 3.81Å
45	T	86.2	Confident	67.4	Low	23 Å²	23	86.7 Å²	86.7	14%	0.141	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-66.9	172.9	171.5	65.6	0	0	0	0	111.2	F48 R72 V73 F125	T45-F48 WeakPolarHBondContact OG1-CE2 3.39Å; T45-R72 WeakPolarHBondContact CG2-O 3.21Å; T45-V73 HydrophobicContact CG2-CG2 4.4Å; T45-F125 HydrophobicContact CG2-CB 4.34Å; T45-F125 WeakPolarHBondContact CG2-O 3.34Å; T45-F125 PolarHBondContact N-O 2.98Å; T45-F125 PolarHBondContact OG1-N 2.85Å; T45-F125 PolarHBondContact OG1-O 3.19Å
46	T	85.9	Confident	69.6	Low	89 Å²	89	89.6 Å²	89.6	55%	0.546	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-62.2	163.8	164	53.3	0	0	0	0	111.3	F48 R124	T46-F48 WeakPolarHBondContact O-CD2 3.06Å; T46-F48 WeakPolarHBondContact O-CE2 3.26Å; T46-R124 WeakPolarHBondContact O-CB 3.47Å
47	W	90.2	Very high	72.4	Confident	62 Å²	62	80.1 Å²	80.1	24%	0.235	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-77.1	140.3	172	-66	91.6	0	0	0	111	E81 R83 A122 V123 R124	W47-E81 HydrophobicContact CH2-CB 4.09Å; W47-E81 HydrophobicContact CH2-CG 3.8Å; W47-E81 VanDerWaalsContact CZ3-O 3.28Å; W47-E81 WeakPolarHBondContact CZ3-O 3.34Å; W47-R83 VanDerWaalsContact CD1-NH2 3.33Å; W47-R83 HydrophobicContact CD2-CG 4.43Å; W47-R83 VanDerWaalsContact CD2-NE 3.34Å; W47-R83 VanDerWaalsContact CE2-NH1 3.29Å; W47-R83 HydrophobicContact CE3-CG 3.86Å; W47-R83 HydrophobicContact CH2-CB 4.17Å; W47-R83 HydrophobicContact CH2-CG 3.78Å; W47-R83 HydrophobicContact CZ2-CG 4.35Å; W47-R83 HydrophobicContact CZ3-CB 4.15Å; W47-R83 HydrophobicContact CZ3-CG 3.51Å; W47-R83 VanDerWaalsContact NE1-CZ 3.31Å; W47-R83 VanDerWaalsContact NE1-NH1 3.18Å; W47-A122 HydrophobicContact CE3-CB 4.33Å; W47-A122 VanDerWaalsContact CZ3-O 3.27Å; W47-A122 WeakPolarHBondContact CZ3-O 3.41Å; W47-V123 CarbonylContact C-O 3.52Å; W47-V123 WeakPolarHBondContact CA-O 3.26Å; W47-R124 HydrophobicContact CD2-CB 4.09Å; W47-R124 HydrophobicContact CD2-CG 3.91Å; W47-R124 VanDerWaalsContact CE2-CD 3.44Å; W47-R124 HydrophobicContact CE3-CB 4.14Å; W47-R124 HydrophobicContact CE3-CG 3.95Å; W47-R124 HydrophobicContact CG-CB 4.42Å; W47-R124 HydrophobicContact CH2-CG 3.96Å; W47-R124 HydrophobicContact CZ2-CG 3.9Å; W47-R124 VanDerWaalsContact CZ2-NE 3.27Å; W47-R124 HydrophobicContact CZ3-CG 3.97Å
48	F	89.2	Confident	75.1	Confident	4 Å²	4	72.1 Å²	72.1	2%	0.018	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-122.8	134.5	179.9	-54.9	-73.1	0	0	0	109.1	T45 T46 I65 Y69 R72 V73 A122 V123 F125	T45-F48 WeakPolarHBondContact OG1-CE2 3.39Å; T46-F48 WeakPolarHBondContact O-CD2 3.06Å; T46-F48 WeakPolarHBondContact O-CE2 3.26Å; F48-I65 HydrophobicContact CB-CD1 4.1Å; F48-I65 HydrophobicContact CB-CG1 4.19Å; F48-I65 HydrophobicContact CB-CG2 4.09Å; F48-I65 HydrophobicContact CD1-CG2 4.12Å; F48-I65 HydrophobicContact CD2-CG2 3.81Å; F48-I65 HydrophobicContact CE2-CG2 4.24Å; F48-I65 HydrophobicContact CG-CG2 3.74Å; F48-Y69 HydrophobicContact CB-CE2 4.34Å; F48-Y69 HydrophobicContact CD1-CD1 4.35Å; F48-Y69 AromaticContact CD1-CD2 3.51Å; F48-Y69 HydrophobicContact CD1-CD2 3.51Å; F48-Y69 AromaticContact CD1-CE2 3.72Å; F48-Y69 HydrophobicContact CD1-CE2 3.72Å; F48-Y69 AromaticContact CD1-CG 3.84Å; F48-Y69 HydrophobicContact CD1-CG 3.84Å; F48-Y69 HydrophobicContact CE1-CD1 4.35Å; F48-Y69 HydrophobicContact CE1-CD2 4.01Å; F48-Y69 AromaticContact CE1-CG 3.88Å; F48-Y69 HydrophobicContact CE1-CG 3.88Å; F48-Y69 HydrophobicContact CG-CD2 4.34Å; F48-Y69 HydrophobicContact CG-CE2 4.46Å; F48-R72 HydrophobicContact CZ-CB 4.32Å; F48-V73 HydrophobicContact CD2-CG2 4.36Å; F48-V73 HydrophobicContact CE2-CG2 3.47Å; F48-V73 VanDerWaalsContact CE2-CG2 3.47Å; F48-V73 HydrophobicContact CZ-CG2 3.66Å; F48-A122 CarbonylContact O-C 3.55Å; F48-A122 WeakPolarHBondContact O-CA 3.44Å; F48-A122 WeakPolarHBondContact O-CB 3.34Å; F48-V123 PolarHBondContact N-O 2.78Å; F48-V123 PolarHBondContact O-N 3.25Å; F48-F125 HydrophobicContact CD2-CD2 4.37Å; F48-F125 HydrophobicContact CD2-CE2 4.49Å; F48-F125 HydrophobicContact CE2-CD2 4.43Å
49	N	88.9	Confident	77.4	Confident	40 Å²	40	71 Å²	71	21%	0.214	38%	0.376	C	S	.	.			trans	-135.4	106.7	169.7	170.3	-74.8	0	0	0	105.6	D51 H52 E60 N120 Y121 A122	N49-D51 PolarHBondContact ND2-O 3.45Å; N49-D51 PolarHBondContact OD1-O 3.02Å; N49-H52 PolarHBondContact OD1-CE1 3.26Å; N49-E60 VanDerWaalsContact CA-OE1 3.23Å; N49-E60 WeakPolarHBondContact CA-OE1 3.09Å; N49-E60 WeakPolarHBondContact CA-OE2 2.9Å; N49-N120 PolarHBondContact ND2-OD1 2.86Å; N49-Y121 PolarHBondContact ND2-O 2.86Å; N49-A122 HydrophobicContact CB-CB 3.93Å
50	V	83.8	Confident	79.8	Confident	40 Å²	40	63.2 Å²	63.2	24%	0.242	34%	0.335	C	S	.	.			trans	-103.7	-25.5	-174.4	175.1	0	0	0	0	110.9	E60 A64 I65 Y68 Y69	V50-E60 VanDerWaalsContact N-CD 3.25Å; V50-E60 PolarHBondContact N-OE1 2.92Å; V50-E60 PolarHBondContact N-OE2 3.08Å; V50-A64 HydrophobicContact CG1-CB 4.16Å; V50-I65 HydrophobicContact CB-CG1 4.48Å; V50-I65 HydrophobicContact CG2-CB 4.45Å; V50-I65 HydrophobicContact CG2-CG1 3.62Å; V50-Y68 HydrophobicContact CG1-CD2 3.39Å; V50-Y68 HydrophobicContact CG1-CE2 3.57Å; V50-Y68 HydrophobicContact CG1-CG 4.43Å; V50-Y68 HydrophobicContact CG2-CD2 4.46Å; V50-Y69 HydrophobicContact CG2-CD2 4.28Å; V50-Y69 HydrophobicContact CG2-CE2 3.66Å
51	D	79.7	Confident	81.4	Confident	54 Å²	54	62.8 Å²	62.8	29%	0.289	33%	0.33	S	S	.	.			trans	-117.4	163.1	-178.7	-165.3	28.7	0	0	0	111.1	N49 Y59 E60 N120	N49-D51 PolarHBondContact ND2-O 3.45Å; N49-D51 PolarHBondContact OD1-O 3.02Å; D51-Y59 VanDerWaalsContact CB-O 3.22Å; D51-Y59 WeakPolarHBondContact CB-O 3.45Å; D51-Y59 PolarHBondContact OD2-N 3.37Å; D51-E60 PolarHBondContact N-OE1 2.88Å; D51-N120 PolarHBondContact O-OD1 3.14Å
52	H	77.1	Confident	82.2	Confident	122 Å²	122	58.3 Å²	58.3	57%	0.565	31%	0.306	S	S	*	.			trans	-127.5	151.7	170.2	-75.2	43.9	0	0	0	107.4	N49 G54	N49-H52 PolarHBondContact OD1-CE1 3.26Å; H52-G54 PolarHBondContact O-N 3.01Å
53	P	69.2	Low	82.8	Confident	38 Å²	38	60.5 Å²	60.5	25%	0.247	32%	0.321	C	S	.	.	S	Bend	trans	-71.6	41.1	-168.6	27.4	-37.3	0	0	0	115.7	G57 D58 C118 N120	P53-G57 WeakPolarHBondContact CA-O 3.41Å; P53-D58 HydrophobicContact CB-CB 4.08Å; P53-C118 WeakPolarHBondContact CB-O 3.46Å; P53-N120 VanDerWaalsContact CD-CG 3.45Å; P53-N120 HydrophobicContact CG-CB 3.8Å
54	G	60.2	Low	82.7	Confident	62 Å²	62	56.6 Å²	56.6	64%	0.639	31%	0.307	S	S	*	.			trans	-89.3	134.6	174.7	0	0	0	0	0	112	H52	H52-G54 PolarHBondContact O-N 3.01Å
55	G	72.2	Confident	82.5	Confident	68 Å²	68	51.8 Å²	51.8	70%	0.701	29%	0.289	S	S	*	.	S	Bend	trans	90.4	-120.6	178.6	0	0	0	0	0	112.9	N109	G55-N109 PolarHBondContact O-ND2 3.39Å
56	R	77.6	Confident	82.4	Confident	182 Å²	182	54.1 Å²	54.1	69%	0.687	30%	0.295	S	S	*	.	S	Bend	trans	-86.4	-5.8	-171.5	-73.1	-173	175.1	168.4	-0.8	114.9	N109	R56-N109 PolarHBondContact O-N 2.96Å
57	G	86.4	Confident	81.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.4	-160	-174.8	0	0	0	0	0	112	P53 C107 N109	P53-G57 WeakPolarHBondContact CA-O 3.41Å; G57-C107 CarbonylContact C-O 3.59Å; G57-C107 WeakPolarHBondContact CA-O 3.34Å; G57-N109 PolarHBondContact N-ND2 3.47Å
58	D	86.8	Confident	80.7	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.9	177.1	-169.3	56.7	0	0	0	110	P53 W106 C107 C118 Y121	P53-D58 HydrophobicContact CB-CB 4.08Å; D58-W106 CarbonylContact O-C 3.55Å; D58-W106 VanDerWaalsContact O-CA 3.28Å; D58-W106 WeakPolarHBondContact O-CA 3.46Å; D58-C107 PolarHBondContact N-O 3.43Å; D58-C107 PolarHBondContact O-N 3.29Å; D58-C118 HydrophobicContact CB-CB 4.37Å; D58-Y121 WeakPolarHBondContact OD2-CA 3.33Å; D58-Y121 VanDerWaalsContact OD2-CB 3.3Å; D58-Y121 WeakPolarHBondContact OD2-CB 3.5Å; D58-Y121 PolarHBondContact OD2-N 2.85Å
59	Y	90.4	Very high	79.8	Confident	69 Å²	69	65.6 Å²	65.6	27%	0.271	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	106.4	-170.7	-58.1	-99.8	0	0	0	113.3	D51 Q61 W106 L108	D51-Y59 VanDerWaalsContact CB-O 3.22Å; D51-Y59 WeakPolarHBondContact CB-O 3.45Å; D51-Y59 PolarHBondContact OD2-N 3.37Å; Y59-Q61 PolarHBondContact O-N 2.91Å; Y59-W106 HydrophobicContact CD1-CB 3.49Å; Y59-W106 VanDerWaalsContact CD1-CB 3.49Å; Y59-W106 HydrophobicContact CD1-CG 4.31Å; Y59-W106 HydrophobicContact CE1-CB 4.06Å; Y59-W106 HydrophobicContact CG-CB 4.21Å; Y59-L108 HydrophobicContact CE1-CD2 3.51Å; Y59-L108 HydrophobicContact CE2-CD2 4.42Å; Y59-L108 WeakPolarHBondContact OH-CD2 3.41Å
60	E	91	Very high	78.9	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	63.9	175.4	-66	-59.2	156	0	0	111.2	N49 V50 D51 I65 G104 F105 Y121 V123	N49-E60 VanDerWaalsContact CA-OE1 3.23Å; N49-E60 WeakPolarHBondContact CA-OE1 3.09Å; N49-E60 WeakPolarHBondContact CA-OE2 2.9Å; V50-E60 VanDerWaalsContact N-CD 3.25Å; V50-E60 PolarHBondContact N-OE1 2.92Å; V50-E60 PolarHBondContact N-OE2 3.08Å; D51-E60 PolarHBondContact N-OE1 2.88Å; E60-I65 HydrophobicContact CB-CD1 4.46Å; E60-G104 WeakPolarHBondContact O-CA 3.29Å; E60-F105 CarbonylContact C-O 3.55Å; E60-F105 WeakPolarHBondContact CA-O 3.48Å; E60-F105 HydrophobicContact CB-CB 4.16Å; E60-F105 HydrophobicContact CB-CD1 4.41Å; E60-F105 PolarHBondContact N-O 2.8Å; E60-F105 PolarHBondContact O-N 3.39Å; E60-Y121 WeakPolarHBondContact CG-O 3.34Å; E60-V123 HydrophobicContact CB-CB 4.45Å; E60-V123 HydrophobicContact CB-CG1 3.8Å; E60-V123 HydrophobicContact CB-CG2 3.8Å; E60-V123 HydrophobicContact CG-CG1 4.25Å; E60-V123 HydrophobicContact CG-CG2 4.49Å
61	Q	89.4	Confident	78	Confident	89 Å²	89	78.1 Å²	78.1	42%	0.416	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	138.1	-177	-68.2	-174.9	-1.8	0	0	112.7	Y59 D63 A64 I65	Y59-Q61 PolarHBondContact O-N 2.91Å; Q61-D63 VanDerWaalsContact C-N 3.3Å; Q61-D63 PolarHBondContact O-N 3.35Å; Q61-A64 HydrophobicContact CB-CB 4.27Å; Q61-A64 PolarHBondContact O-N 3.48Å; Q61-I65 WeakPolarHBondContact O-CG1 3.11Å; Q61-I65 PolarHBondContact O-N 2.86Å
62	L	82.4	Confident	77.6	Confident	2 Å²	2	83.6 Å²	83.6	1%	0.01	41%	0.407	C	S	.	.	H	α-helix	trans	-61.7	-37.3	-177.8	179.3	63.9	0	0	0	112.2	I65 R66 V73 P77 P101 V103 F125	L62-I65 PolarHBondContact O-N 2.76Å; L62-R66 HydrophobicContact CD1-CG 4.42Å; L62-R66 WeakPolarHBondContact O-CB 3.42Å; L62-R66 WeakPolarHBondContact O-CG 3.44Å; L62-R66 PolarHBondContact O-N 3.25Å; L62-V73 HydrophobicContact CD1-CG1 3.92Å; L62-P77 HydrophobicContact CD2-CG 3.99Å; L62-P101 WeakPolarHBondContact CD2-O 3.47Å; L62-V103 PolarHBondContact N-O 2.84Å; L62-F125 HydrophobicContact CB-CZ 4.32Å; L62-F125 HydrophobicContact CD1-CD1 4.34Å; L62-F125 HydrophobicContact CD1-CD2 4.34Å; L62-F125 HydrophobicContact CD1-CE1 3.86Å; L62-F125 HydrophobicContact CD1-CE2 3.89Å; L62-F125 HydrophobicContact CD1-CZ 3.63Å
63	D	83.4	Confident	77.7	Confident	115 Å²	115	78.2 Å²	78.2	62%	0.615	38%	0.383	S	S	*	.	H	α-helix	trans	-68	-38.3	178.3	-72.6	-20.3	0	0	0	112	Q61 R66 F67	Q61-D63 VanDerWaalsContact C-N 3.3Å; Q61-D63 PolarHBondContact O-N 3.35Å; D63-R66 PolarHBondContact O-N 3.35Å; D63-F67 WeakPolarHBondContact O-CB 3.47Å; D63-F67 PolarHBondContact O-N 3.46Å
64	A	81.8	Confident	78.2	Confident	28 Å²	28	77.9 Å²	77.9	23%	0.231	38%	0.381	C	S	.	.	H	α-helix	trans	-66.2	-43.3	173.3	0	0	0	0	0	111	V50 Q61 R66 F67 Y68	V50-A64 HydrophobicContact CG1-CB 4.16Å; Q61-A64 HydrophobicContact CB-CB 4.27Å; Q61-A64 PolarHBondContact O-N 3.48Å; A64-R66 VanDerWaalsContact C-N 3.34Å; A64-R66 PolarHBondContact O-N 3.13Å; A64-F67 WeakPolarHBondContact O-CB 3.38Å; A64-F67 PolarHBondContact O-N 3.01Å; A64-F67 VanDerWaalsContact O-N 3.15Å; A64-Y68 WeakPolarHBondContact O-CD2 3.49Å; A64-Y68 PolarHBondContact O-N 3.48Å
65	I	81.7	Confident	79	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-61.9	-40.8	176.2	-67.2	166.9	0	0	0	111.1	F48 V50 E60 Q61 L62 Y69 V73 V123 F125	F48-I65 HydrophobicContact CB-CD1 4.1Å; F48-I65 HydrophobicContact CB-CG1 4.19Å; F48-I65 HydrophobicContact CB-CG2 4.09Å; F48-I65 HydrophobicContact CD1-CG2 4.12Å; F48-I65 HydrophobicContact CD2-CG2 3.81Å; F48-I65 HydrophobicContact CE2-CG2 4.24Å; F48-I65 HydrophobicContact CG-CG2 3.74Å; V50-I65 HydrophobicContact CB-CG1 4.48Å; V50-I65 HydrophobicContact CG2-CB 4.45Å; V50-I65 HydrophobicContact CG2-CG1 3.62Å; E60-I65 HydrophobicContact CB-CD1 4.46Å; Q61-I65 WeakPolarHBondContact O-CG1 3.11Å; Q61-I65 PolarHBondContact O-N 2.86Å; L62-I65 PolarHBondContact O-N 2.76Å; I65-Y69 HydrophobicContact CG2-CD2 4.14Å; I65-Y69 WeakPolarHBondContact O-CA 3.47Å; I65-Y69 WeakPolarHBondContact O-CB 3.34Å; I65-Y69 PolarHBondContact O-N 2.98Å; I65-V73 HydrophobicContact CG2-CG2 4.07Å; I65-V123 HydrophobicContact CD1-CG2 3.41Å; I65-V123 VanDerWaalsContact CD1-CG2 3.41Å; I65-F125 HydrophobicContact CD1-CE2 3.84Å; I65-F125 HydrophobicContact CD1-CZ 4.22Å
66	R	82.3	Confident	79.3	Confident	72 Å²	72	85.5 Å²	85.5	27%	0.272	39%	0.39	S	S	.	.	H	α-helix	trans	-67.6	-35.1	174.1	-76.5	174.4	171.7	166.4	-0.4	112.6	L62 D63 A64 R70 C74 E75	L62-R66 HydrophobicContact CD1-CG 4.42Å; L62-R66 WeakPolarHBondContact O-CB 3.42Å; L62-R66 WeakPolarHBondContact O-CG 3.44Å; L62-R66 PolarHBondContact O-N 3.25Å; D63-R66 PolarHBondContact O-N 3.35Å; A64-R66 VanDerWaalsContact C-N 3.34Å; A64-R66 PolarHBondContact O-N 3.13Å; R66-R70 WeakPolarHBondContact O-CA 3.47Å; R66-R70 PolarHBondContact O-N 3.36Å; R66-C74 PolarHBondContact NH2-O 2.95Å; R66-E75 PolarHBondContact NH2-O 3.24Å
67	F	75.6	Confident	79.6	Confident	158 Å²	158	77.3 Å²	77.3	69%	0.693	36%	0.36	S	S	*	.	H	α-helix	trans	-63.7	-47.4	175.5	-177.3	-98.2	0	0	0	111.8	D63 A64	D63-F67 WeakPolarHBondContact O-CB 3.47Å; D63-F67 PolarHBondContact O-N 3.46Å; A64-F67 WeakPolarHBondContact O-CB 3.38Å; A64-F67 PolarHBondContact O-N 3.01Å; A64-F67 VanDerWaalsContact O-N 3.15Å
68	Y	65.6	Low	79.5	Confident	155 Å²	155	85.2 Å²	85.2	61%	0.608	39%	0.39	S	S	*	.	H	α-helix	trans	-81.4	-33.3	-178.1	-71.2	-71	0	0	0	114.2	V50 A64	V50-Y68 HydrophobicContact CG1-CD2 3.39Å; V50-Y68 HydrophobicContact CG1-CE2 3.57Å; V50-Y68 HydrophobicContact CG1-CG 4.43Å; V50-Y68 HydrophobicContact CG2-CD2 4.46Å; A64-Y68 WeakPolarHBondContact O-CD2 3.49Å; A64-Y68 PolarHBondContact O-N 3.48Å
69	Y	70.9	Confident	79.3	Confident	83 Å²	83	86.7 Å²	86.7	33%	0.325	40%	0.402	S	S	.	.	H	α-helix	trans	-114.9	1.2	-173.4	-59.6	-73.6	0	0	0	115.5	F48 V50 I65 T71 R72	F48-Y69 HydrophobicContact CB-CE2 4.34Å; F48-Y69 HydrophobicContact CD1-CD1 4.35Å; F48-Y69 AromaticContact CD1-CD2 3.51Å; F48-Y69 HydrophobicContact CD1-CD2 3.51Å; F48-Y69 AromaticContact CD1-CE2 3.72Å; F48-Y69 HydrophobicContact CD1-CE2 3.72Å; F48-Y69 AromaticContact CD1-CG 3.84Å; F48-Y69 HydrophobicContact CD1-CG 3.84Å; F48-Y69 HydrophobicContact CE1-CD1 4.35Å; F48-Y69 HydrophobicContact CE1-CD2 4.01Å; F48-Y69 AromaticContact CE1-CG 3.88Å; F48-Y69 HydrophobicContact CE1-CG 3.88Å; F48-Y69 HydrophobicContact CG-CD2 4.34Å; F48-Y69 HydrophobicContact CG-CE2 4.46Å; V50-Y69 HydrophobicContact CG2-CD2 4.28Å; V50-Y69 HydrophobicContact CG2-CE2 3.66Å; I65-Y69 HydrophobicContact CG2-CD2 4.14Å; I65-Y69 WeakPolarHBondContact O-CA 3.47Å; I65-Y69 WeakPolarHBondContact O-CB 3.34Å; I65-Y69 PolarHBondContact O-N 2.98Å; Y69-T71 PolarHBondContact O-N 3.48Å; Y69-R72 WeakPolarHBondContact O-CG 3.49Å; Y69-R72 PolarHBondContact O-N 3.49Å
70	R	68.9	Low	79.4	Confident	201 Å²	201	84.8 Å²	84.8	76%	0.758	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	49.7	-124.7	174.7	-58.4	-173.5	-177.3	-177.8	0.1	113.6	R66 R72	R66-R70 WeakPolarHBondContact O-CA 3.47Å; R66-R70 PolarHBondContact O-N 3.36Å; R70-R72 PolarHBondContact O-N 3.01Å
71	T	65.9	Low	79.4	Confident	142 Å²	142	87.9 Å²	87.9	87%	0.871	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-74.6	11.8	-170	57.1	0	0	0	0	114.9	Y69 V73	Y69-T71 PolarHBondContact O-N 3.48Å; T71-V73 VanDerWaalsContact C-N 3.27Å; T71-V73 PolarHBondContact O-N 3.27Å
72	R	71.4	Confident	79.5	Confident	169 Å²	169	84.3 Å²	84.3	64%	0.638	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-81.2	-5.2	-178.7	-67.4	-174	-178.6	-167.6	2	114.1	T45 F48 Y69 R70	T45-R72 WeakPolarHBondContact CG2-O 3.21Å; F48-R72 HydrophobicContact CZ-CB 4.32Å; Y69-R72 WeakPolarHBondContact O-CG 3.49Å; Y69-R72 PolarHBondContact O-N 3.49Å; R70-R72 PolarHBondContact O-N 3.01Å
73	V	78.8	Confident	79.8	Confident	10 Å²	10	85.9 Å²	85.9	6%	0.061	40%	0.402	C	S	.	.	S	Bend	trans	-128.9	134.7	173.4	-172.6	0	0	0	0	107.9	T45 F48 L62 I65 T71 F125	T45-V73 HydrophobicContact CG2-CG2 4.4Å; F48-V73 HydrophobicContact CD2-CG2 4.36Å; F48-V73 HydrophobicContact CE2-CG2 3.47Å; F48-V73 VanDerWaalsContact CE2-CG2 3.47Å; F48-V73 HydrophobicContact CZ-CG2 3.66Å; L62-V73 HydrophobicContact CD1-CG1 3.92Å; I65-V73 HydrophobicContact CG2-CG2 4.07Å; T71-V73 VanDerWaalsContact C-N 3.27Å; T71-V73 PolarHBondContact O-N 3.27Å; V73-F125 HydrophobicContact CG1-CB 3.92Å; V73-F125 HydrophobicContact CG1-CD2 3.91Å; V73-F125 HydrophobicContact CG1-CG 3.96Å; V73-F125 HydrophobicContact CG2-CD2 4.27Å
74	C	80.3	Confident	80.1	Confident	31 Å²	31	80.8 Å²	80.8	21%	0.209	38%	0.375	C	S	.	.			trans	-65.1	162	-179.5	56.3	0	0	0	0	112.7	R66 T76 P77 C127	R66-C74 PolarHBondContact NH2-O 2.95Å; C74-T76 VanDerWaalsContact C-N 3.3Å; C74-T76 PolarHBondContact O-N 2.9Å; C74-P77 VanDerWaalsContact SG-CA 3.53Å; C74-C127 HydrophobicContact CB-CB 3.58Å; C74-C127 WeakPolarHBondContact CB-SG 3.29Å; C74-C127 PolarHBondContact N-SG 3.25Å; C74-C127 WeakPolarHBondContact SG-CA 3.36Å; C74-C127 WeakPolarHBondContact SG-CB 3.48Å; C74-C127 CovalentContact SG-SG 2.03Å; C74-C127 PolarHBondContact SG-SG 2.74Å
75	E	76.2	Confident	80.3	Confident	178 Å²	178	83 Å²	83	83%	0.832	39%	0.386	S	S	*	.	S	Bend	trans	-63.2	-32.9	-179.5	-70.3	-164.9	163.5	0	0	113.6	R66	R66-E75 PolarHBondContact NH2-O 3.24Å
76	T	79.1	Confident	80.3	Confident	112 Å²	112	90.7 Å²	90.7	69%	0.687	42%	0.422	S	S	*	.	S	Bend	trans	-131.4	85.4	176.5	58.3	0	0	0	0	110.1	C74	C74-T76 VanDerWaalsContact C-N 3.3Å; C74-T76 PolarHBondContact O-N 2.9Å
77	P	84.2	Confident	80.3	Confident	10 Å²	10	95.9 Å²	95.9	7%	0.065	44%	0.442	C	S	.	.			trans	-66.3	138.1	175.4	30	-36.6	0	0	0	110.4	L62 C74 P101 F125	L62-P77 HydrophobicContact CD2-CG 3.99Å; C74-P77 VanDerWaalsContact SG-CA 3.53Å; P77-P101 WeakPolarHBondContact CG-O 3.34Å; P77-F125 HydrophobicContact CB-CB 3.7Å; P77-F125 HydrophobicContact CB-CD1 3.72Å; P77-F125 HydrophobicContact CB-CG 4.05Å; P77-F125 HydrophobicContact CG-CD1 3.87Å; P77-F125 HydrophobicContact CG-CE1 4.47Å; P77-F125 HydrophobicContact CG-CG 4.49Å
78	R	83.3	Confident	80.8	Confident	166 Å²	166	90.9 Å²	90.9	63%	0.626	42%	0.424	S	S	*	.	S	Bend	trans	-85.8	-26.7	-172.9	-174.8	167	177.2	176	-1.3	113.2	F42 L126	F42-R78 HydrophobicContact CD1-CB 4.26Å; F42-R78 HydrophobicContact CE1-CB 4.06Å; F42-R78 HydrophobicContact CE1-CG 4.48Å; F42-R78 VanDerWaalsContact CE2-NH1 3.25Å; R78-L126 PolarHBondContact N-O 3.12Å
79	A	83.1	Confident	81.8	Confident	30 Å²	30	85 Å²	85	25%	0.248	41%	0.405	C	S	.	.			trans	-154.1	155.2	-179.6	0	0	0	0	0	109.4	W44 F125 L126	W44-A79 HydrophobicContact CH2-CB 3.61Å; W44-A79 HydrophobicContact CZ2-CB 4.31Å; W44-A79 HydrophobicContact CZ3-CB 4.31Å; A79-F125 CarbonylContact O-C 3.56Å; A79-F125 VanDerWaalsContact O-CA 3.26Å; A79-F125 WeakPolarHBondContact O-CA 3.35Å; A79-L126 HydrophobicContact CB-CB 4.04Å; A79-L126 HydrophobicContact CB-CD2 4.32Å; A79-L126 PolarHBondContact O-N 3.39Å
80	I	91.6	Very high	82.5	Confident	29 Å²	29	81.5 Å²	81.5	15%	0.149	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	142	172.9	-173.1	175.4	0	0	0	108.4	A99 P101 F105 V123 R124 F125	I80-A99 HydrophobicContact CG2-CB 3.95Å; I80-P101 HydrophobicContact CB-CB 4.36Å; I80-P101 HydrophobicContact CG2-CB 4.32Å; I80-F105 HydrophobicContact CD1-CB 3.96Å; I80-V123 HydrophobicContact CD1-CB 4.11Å; I80-V123 HydrophobicContact CD1-CG1 4.11Å; I80-V123 HydrophobicContact CD1-CG2 4.45Å; I80-V123 HydrophobicContact CG1-CB 4.14Å; I80-V123 HydrophobicContact CG1-CG1 4.42Å; I80-R124 WeakPolarHBondContact CA-O 3.19Å; I80-F125 HydrophobicContact CB-CD1 3.98Å; I80-F125 HydrophobicContact CB-CE1 3.87Å; I80-F125 HydrophobicContact CD1-CD1 4.4Å; I80-F125 HydrophobicContact CD1-CE1 3.51Å; I80-F125 HydrophobicContact CD1-CZ 3.65Å; I80-F125 HydrophobicContact CG1-CD1 4.05Å; I80-F125 HydrophobicContact CG1-CE1 3.65Å; I80-F125 HydrophobicContact CG1-CZ 4.03Å
81	E	92.4	Very high	83	Confident	65 Å²	65	81 Å²	81	30%	0.304	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	137.5	172.4	-164.8	-176.1	-177.5	0	0	108.7	W44 W47 V123 R124	W44-E81 HydrophobicContact CH2-CB 4.07Å; W44-E81 HydrophobicContact CZ3-CB 3.99Å; W47-E81 HydrophobicContact CH2-CB 4.09Å; W47-E81 HydrophobicContact CH2-CG 3.8Å; W47-E81 VanDerWaalsContact CZ3-O 3.28Å; W47-E81 WeakPolarHBondContact CZ3-O 3.34Å; E81-V123 CarbonylContact O-C 3.54Å; E81-V123 WeakPolarHBondContact O-CA 3.3Å; E81-R124 HydrophobicContact CB-CG 4.06Å; E81-R124 PolarHBondContact N-O 3.06Å; E81-R124 PolarHBondContact O-N 3.45Å; E81-R124 IonicContact OE1-NH2 3.8Å; E81-R124 IonicContact OE2-CZ 3.47Å; E81-R124 IonicContact OE2-NE 3.4Å; E81-R124 PolarHBondContact OE2-NE 2.72Å; E81-R124 IonicContact OE2-NH2 3.43Å; E81-R124 PolarHBondContact OE2-NH2 3.32Å
82	A	91.7	Very high	83.9	Confident	14 Å²	14	79.8 Å²	79.8	12%	0.116	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.5	-175.9	0	0	0	0	0	111.8	A90 F105 A122 V123	A82-A90 HydrophobicContact CB-CB 3.88Å; A82-A90 WeakPolarHBondContact O-CB 3.26Å; A82-A90 PolarHBondContact O-N 3.37Å; A82-F105 HydrophobicContact CB-CD1 4.5Å; A82-F105 HydrophobicContact CB-CD2 3.3Å; A82-F105 HydrophobicContact CB-CE2 3.4Å; A82-F105 HydrophobicContact CB-CG 3.9Å; A82-F105 HydrophobicContact CB-CZ 4.08Å; A82-A122 WeakPolarHBondContact CA-O 3.16Å; A82-V123 HydrophobicContact CB-CG1 3.81Å
83	R	87.4	Confident	84.5	Confident	35 Å²	35	73.5 Å²	73.5	13%	0.132	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	159.3	177.9	69.5	-176.6	-176.2	-179.9	11.8	111.2	W47 W87 V88 Y121 A122	W47-R83 VanDerWaalsContact CD1-NH2 3.33Å; W47-R83 HydrophobicContact CD2-CG 4.43Å; W47-R83 VanDerWaalsContact CD2-NE 3.34Å; W47-R83 VanDerWaalsContact CE2-NH1 3.29Å; W47-R83 HydrophobicContact CE3-CG 3.86Å; W47-R83 HydrophobicContact CH2-CB 4.17Å; W47-R83 HydrophobicContact CH2-CG 3.78Å; W47-R83 HydrophobicContact CZ2-CG 4.35Å; W47-R83 HydrophobicContact CZ3-CB 4.15Å; W47-R83 HydrophobicContact CZ3-CG 3.51Å; W47-R83 VanDerWaalsContact NE1-CZ 3.31Å; W47-R83 VanDerWaalsContact NE1-NH1 3.18Å; R83-W87 VanDerWaalsContact NH2-CZ2 3.3Å; R83-V88 CarbonylContact C-O 3.46Å; R83-V88 WeakPolarHBondContact CA-O 3.45Å; R83-V88 WeakPolarHBondContact CB-O 3.29Å; R83-Y121 VanDerWaalsContact C-CD1 3.48Å; R83-Y121 CarbonylContact O-C 3.41Å; R83-Y121 VanDerWaalsContact O-CA 3.28Å; R83-Y121 WeakPolarHBondContact O-CA 3.46Å; R83-A122 PolarHBondContact N-O 3.31Å; R83-A122 PolarHBondContact O-N 3.35Å
84	T	89.6	Confident	84.5	Confident	8 Å²	8	76.6 Å²	76.6	5%	0.049	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	162.8	172.3	68.5	0	0	0	0	111.7	E86 W87 V88 T93 N120 Y121	T84-E86 PolarHBondContact O-N 3.04Å; T84-E86 VanDerWaalsContact O-N 3.12Å; T84-E86 PolarHBondContact OG1-N 2.54Å; T84-W87 PolarHBondContact O-N 3.14Å; T84-V88 HydrophobicContact CG2-CB 4.39Å; T84-V88 PolarHBondContact N-O 3.46Å; T84-V88 WeakPolarHBondContact OG1-CB 3.48Å; T84-V88 PolarHBondContact OG1-N 2.86Å; T84-T93 HydrophobicContact CG2-CG2 3.53Å; T84-N120 CarbonylContact C-O 3.56Å; T84-N120 WeakPolarHBondContact CA-O 3.38Å; T84-Y121 HydrophobicContact CG2-CD1 4.05Å; T84-Y121 HydrophobicContact CG2-CE1 3.61Å
85	T	85.9	Confident	84.8	Confident	75 Å²	75	76.9 Å²	76.9	46%	0.46	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.6	171.3	52.3	0	0	0	0	113.3	W87 N120	T85-W87 VanDerWaalsContact C-N 3.29Å; T85-N120 HydrophobicContact CG2-CB 4.09Å; T85-N120 PolarHBondContact N-O 3.05Å
86	E	82.4	Confident	85.3	Confident	162 Å²	162	71.8 Å²	71.8	76%	0.757	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	13.8	173.5	-59.4	-169.4	170	0	0	113.5	T84 V88	T84-E86 PolarHBondContact O-N 3.04Å; T84-E86 VanDerWaalsContact O-N 3.12Å; T84-E86 PolarHBondContact OG1-N 2.54Å; E86-V88 VanDerWaalsContact C-N 3.29Å; E86-V88 PolarHBondContact O-N 3.28Å
87	W	81.2	Confident	85.8	Confident	181 Å²	181	68.6 Å²	68.6	69%	0.686	35%	0.349	S	S	*	.	S	Bend	trans	67.7	21.7	175.6	-57.5	73.1	0	0	0	114.9	R83 T84 T85	R83-W87 VanDerWaalsContact NH2-CZ2 3.3Å; T84-W87 PolarHBondContact O-N 3.14Å; T85-W87 VanDerWaalsContact C-N 3.29Å
88	V	86.3	Confident	86.1	Confident	52 Å²	52	71 Å²	71	32%	0.315	36%	0.359	S	S	.	.			trans	-88	122.4	173.2	-174.4	0	0	0	0	109.3	R83 T84 E86 E92 T93	R83-V88 CarbonylContact C-O 3.46Å; R83-V88 WeakPolarHBondContact CA-O 3.45Å; R83-V88 WeakPolarHBondContact CB-O 3.29Å; T84-V88 HydrophobicContact CG2-CB 4.39Å; T84-V88 PolarHBondContact N-O 3.46Å; T84-V88 WeakPolarHBondContact OG1-CB 3.48Å; T84-V88 PolarHBondContact OG1-N 2.86Å; E86-V88 VanDerWaalsContact C-N 3.29Å; E86-V88 PolarHBondContact O-N 3.28Å; V88-E92 HydrophobicContact CG1-CB 4.09Å; V88-T93 HydrophobicContact CB-CG2 4.32Å; V88-T93 HydrophobicContact CG1-CG2 3.87Å
89	P	87.9	Confident	86.1	Confident	33 Å²	33	66 Å²	66	21%	0.214	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-58.1	140.7	176.3	-24.1	34.6	0	0	0	111.7	R91 E92	P89-R91 HydrophobicContact CB-CG 4.42Å; P89-R91 PolarHBondContact O-N 3.12Å; P89-E92 WeakPolarHBondContact O-CB 3.36Å; P89-E92 PolarHBondContact O-N 2.96Å
90	A	84.7	Confident	86.2	Confident	8 Å²	8	67.4 Å²	67.4	7%	0.066	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.6	-173.2	0	0	0	0	0	114.8	A82 E92 T93 V97 F105 Y121	A82-A90 HydrophobicContact CB-CB 3.88Å; A82-A90 WeakPolarHBondContact O-CB 3.26Å; A82-A90 PolarHBondContact O-N 3.37Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 3.3Å; A90-T93 PolarHBondContact O-OG1 2.88Å; A90-V97 HydrophobicContact CB-CG2 4.28Å; A90-F105 HydrophobicContact CB-CE2 3.92Å; A90-F105 HydrophobicContact CB-CZ 4.11Å; A90-Y121 HydrophobicContact CB-CD1 3.89Å; A90-Y121 HydrophobicContact CB-CE1 3.47Å; A90-Y121 VanDerWaalsContact CB-CE1 3.47Å
91	R	79.4	Confident	85.8	Confident	191 Å²	191	67.8 Å²	67.8	72%	0.721	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.6	173.9	75.7	-169.4	173.4	-119.3	-11.2	113.8	P89	P89-R91 HydrophobicContact CB-CG 4.42Å; P89-R91 PolarHBondContact O-N 3.12Å
92	E	84.3	Confident	85.2	Confident	116 Å²	116	69.3 Å²	69.3	54%	0.542	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-6.9	-173.8	-72.1	166.1	-142.9	0	0	112.4	V88 P89 A90	V88-E92 HydrophobicContact CG1-CB 4.09Å; P89-E92 WeakPolarHBondContact O-CB 3.36Å; P89-E92 PolarHBondContact O-N 2.96Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 3.3Å
93	T	83.8	Confident	84.8	Confident	38 Å²	38	72 Å²	72	23%	0.233	39%	0.39	C	S	.	.	S	Bend	trans	-77.6	-23.8	178	58.2	0	0	0	0	112.8	T84 V88 A90 E95 Y121	T84-T93 HydrophobicContact CG2-CG2 3.53Å; V88-T93 HydrophobicContact CB-CG2 4.32Å; V88-T93 HydrophobicContact CG1-CG2 3.87Å; A90-T93 PolarHBondContact O-OG1 2.88Å; T93-E95 PolarHBondContact O-N 2.95Å; T93-E95 PolarHBondContact OG1-N 3.04Å; T93-Y121 WeakPolarHBondContact CB-OH 3.35Å; T93-Y121 HydrophobicContact CG2-CE1 4.11Å; T93-Y121 WeakPolarHBondContact CG2-OH 3.46Å; T93-Y121 PolarHBondContact OG1-OH 3.48Å
94	G	79.1	Confident	84.8	Confident	74 Å²	74	70.3 Å²	70.3	76%	0.763	38%	0.383	S	S	*	.			trans	77.2	2.7	-176	0	0	0	0	0	114.3
95	E	87.8	Confident	85	Confident	37 Å²	37	70 Å²	70	17%	0.173	38%	0.381	C	S	.	.	S	Bend	trans	-79.1	149.2	174.8	-65.9	174.4	-175.9	0	0	111	T93 V97 Q112 S119 Y121	T93-E95 PolarHBondContact O-N 2.95Å; T93-E95 PolarHBondContact OG1-N 3.04Å; E95-V97 HydrophobicContact CB-CG1 4.06Å; E95-V97 PolarHBondContact O-N 2.84Å; E95-Q112 VanDerWaalsContact CA-OE1 3.23Å; E95-S119 WeakPolarHBondContact OE1-CB 3.49Å; E95-S119 PolarHBondContact OE1-N 2.71Å; E95-S119 PolarHBondContact OE1-OG 3.13Å; E95-S119 PolarHBondContact OE2-N 3.43Å; E95-Y121 WeakPolarHBondContact OE2-CE2 3.43Å; E95-Y121 VanDerWaalsContact OE2-CZ 3.26Å; E95-Y121 PolarHBondContact OE2-OH 2.79Å
96	V	86.4	Confident	85.3	Confident	72 Å²	72	69.4 Å²	69.4	44%	0.436	37%	0.37	S	S	.	.			trans	-76.9	108.4	172.9	-177.2	0	0	0	0	108	E111 Q112	V96-E111 HydrophobicContact CB-CB 4.29Å; V96-E111 HydrophobicContact CG1-CB 4.3Å; V96-Q112 PolarHBondContact O-NE2 3.32Å
97	V	89.3	Confident	85.7	Confident	44 Å²	44	61.7 Å²	61.7	27%	0.267	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.9	-173.9	-60.6	0	0	0	0	111.4	A90 E95 F105 C107 Y121	A90-V97 HydrophobicContact CB-CG2 4.28Å; E95-V97 HydrophobicContact CB-CG1 4.06Å; E95-V97 PolarHBondContact O-N 2.84Å; V97-F105 HydrophobicContact CB-CE2 3.68Å; V97-F105 HydrophobicContact CB-CZ 3.65Å; V97-F105 HydrophobicContact CG1-CE2 4.24Å; V97-F105 HydrophobicContact CG1-CZ 3.72Å; V97-F105 HydrophobicContact CG2-CE2 4.05Å; V97-F105 HydrophobicContact CG2-CZ 4.37Å; V97-C107 HydrophobicContact CG1-CB 4.13Å; V97-Y121 HydrophobicContact CG1-CE2 4.26Å
98	H	89.7	Confident	86	Confident	60 Å²	60	54.8 Å²	54.8	28%	0.278	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137	-179.9	-56.2	-88.3	0	0	0	110.2	F105 W106 E111	H98-F105 CarbonylContact O-C 3.53Å; H98-F105 VanDerWaalsContact O-CA 3.29Å; H98-F105 WeakPolarHBondContact O-CA 3.5Å; H98-F105 VanDerWaalsContact O-CD2 3.26Å; H98-F105 WeakPolarHBondContact O-CD2 3.48Å; H98-W106 HydrophobicContact CB-CD2 3.67Å; H98-W106 HydrophobicContact CB-CE3 4.15Å; H98-W106 HydrophobicContact CB-CG 4.19Å; H98-W106 HydrophobicContact CB-CH2 3.85Å; H98-W106 HydrophobicContact CB-CZ2 3.33Å; H98-W106 HydrophobicContact CB-CZ3 4.23Å; H98-W106 AromaticContact CD2-CD1 3.68Å; H98-W106 AromaticContact CD2-CE2 3.93Å; H98-W106 AromaticContact CD2-NE1 3.24Å; H98-W106 PolarHBondContact CD2-NE1 2.99Å; H98-W106 AromaticContact CG-CE2 3.65Å; H98-W106 AromaticContact CG-CZ2 3.81Å; H98-W106 AromaticContact CG-NE1 3.44Å; H98-W106 PolarHBondContact N-O 3.22Å; H98-W106 PolarHBondContact O-N 3.32Å; H98-E111 IonicContact CD2-OE2 2.66Å; H98-E111 PolarHBondContact CD2-OE2 2.69Å; H98-E111 IonicContact CE1-OE2 3.11Å; H98-E111 IonicContact NE2-OE1 3.99Å; H98-E111 IonicContact NE2-OE2 3.77Å; H98-E111 PolarHBondContact NE2-OE2 3.25Å
99	A	84.6	Confident	86	Confident	61 Å²	61	53.5 Å²	53.5	50%	0.504	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	121.1	-179	0	0	0	0	0	110.5	I80 F105	I80-A99 HydrophobicContact CG2-CB 3.95Å; A99-F105 HydrophobicContact CB-CD2 3.87Å
100	D	85.6	Confident	85.8	Confident	61 Å²	61	59.4 Å²	59.4	33%	0.326	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.5	172.6	-174.9	-60.4	0	0	0	109	T102 V103 G104	D100-T102 PolarHBondContact O-N 2.76Å; D100-T102 VanDerWaalsContact O-N 3.1Å; D100-T102 WeakPolarHBondContact OD1-CA 3.07Å; D100-T102 WeakPolarHBondContact OD1-CB 3.17Å; D100-T102 PolarHBondContact OD1-N 2.88Å; D100-T102 PolarHBondContact OD1-OG1 3.01Å; D100-V103 HydrophobicContact CB-CB 4.1Å; D100-V103 HydrophobicContact CB-CG2 4.19Å; D100-V103 PolarHBondContact O-N 2.78Å; D100-V103 VanDerWaalsContact O-N 3.16Å; D100-V103 PolarHBondContact OD1-N 2.76Å; D100-G104 PolarHBondContact N-O 2.82Å; D100-G104 WeakPolarHBondContact O-CA 3.5Å; D100-G104 PolarHBondContact O-N 3.24Å; D100-G104 VanDerWaalsContact O-O 3.07Å
101	P	81.9	Confident	85.8	Confident	37 Å²	37	63 Å²	63	24%	0.24	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.5	-177.2	24.8	-32.6	0	0	0	113.7	L62 P77 I80	L62-P101 WeakPolarHBondContact CD2-O 3.47Å; P77-P101 WeakPolarHBondContact CG-O 3.34Å; I80-P101 HydrophobicContact CB-CB 4.36Å; I80-P101 HydrophobicContact CG2-CB 4.32Å
102	T	80.3	Confident	86.2	Confident	96 Å²	96	54.9 Å²	54.9	59%	0.589	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-21	177.5	66.5	0	0	0	0	114.1	D100	D100-T102 PolarHBondContact O-N 2.76Å; D100-T102 VanDerWaalsContact O-N 3.1Å; D100-T102 WeakPolarHBondContact OD1-CA 3.07Å; D100-T102 WeakPolarHBondContact OD1-CB 3.17Å; D100-T102 PolarHBondContact OD1-N 2.88Å; D100-T102 PolarHBondContact OD1-OG1 3.01Å
103	V	82.7	Confident	86	Confident	71 Å²	71	53 Å²	53	43%	0.43	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-36.6	-177.6	-175.7	0	0	0	0	112	L62 D100 W106	L62-V103 PolarHBondContact N-O 2.84Å; D100-V103 HydrophobicContact CB-CB 4.1Å; D100-V103 HydrophobicContact CB-CG2 4.19Å; D100-V103 PolarHBondContact O-N 2.78Å; D100-V103 VanDerWaalsContact O-N 3.16Å; D100-V103 PolarHBondContact OD1-N 2.76Å; V103-W106 HydrophobicContact CB-CZ3 4.23Å; V103-W106 HydrophobicContact CG1-CZ3 3.91Å
104	G	87.9	Confident	85	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.3	-159	-173	0	0	0	0	0	112.2	E60 D100	E60-G104 WeakPolarHBondContact O-CA 3.29Å; D100-G104 PolarHBondContact N-O 2.82Å; D100-G104 WeakPolarHBondContact O-CA 3.5Å; D100-G104 PolarHBondContact O-N 3.24Å; D100-G104 VanDerWaalsContact O-O 3.07Å
105	F	93.3	Very high	84.6	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.009	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.9	179.4	172.6	-84.7	0	0	0	110.6	E60 I80 A82 A90 V97 H98 A99 C107 Y121 V123	E60-F105 CarbonylContact C-O 3.55Å; E60-F105 WeakPolarHBondContact CA-O 3.48Å; E60-F105 HydrophobicContact CB-CB 4.16Å; E60-F105 HydrophobicContact CB-CD1 4.41Å; E60-F105 PolarHBondContact N-O 2.8Å; E60-F105 PolarHBondContact O-N 3.39Å; I80-F105 HydrophobicContact CD1-CB 3.96Å; A82-F105 HydrophobicContact CB-CD1 4.5Å; A82-F105 HydrophobicContact CB-CD2 3.3Å; A82-F105 HydrophobicContact CB-CE2 3.4Å; A82-F105 HydrophobicContact CB-CG 3.9Å; A82-F105 HydrophobicContact CB-CZ 4.08Å; A90-F105 HydrophobicContact CB-CE2 3.92Å; A90-F105 HydrophobicContact CB-CZ 4.11Å; V97-F105 HydrophobicContact CB-CE2 3.68Å; V97-F105 HydrophobicContact CB-CZ 3.65Å; V97-F105 HydrophobicContact CG1-CE2 4.24Å; V97-F105 HydrophobicContact CG1-CZ 3.72Å; V97-F105 HydrophobicContact CG2-CE2 4.05Å; V97-F105 HydrophobicContact CG2-CZ 4.37Å; H98-F105 CarbonylContact O-C 3.53Å; H98-F105 VanDerWaalsContact O-CA 3.29Å; H98-F105 WeakPolarHBondContact O-CA 3.5Å; H98-F105 VanDerWaalsContact O-CD2 3.26Å; H98-F105 WeakPolarHBondContact O-CD2 3.48Å; A99-F105 HydrophobicContact CB-CD2 3.87Å; F105-C107 HydrophobicContact CE1-CB 4.46Å; F105-Y121 HydrophobicContact CD1-CG 4.33Å; F105-Y121 VanDerWaalsContact CE1-CB 3.43Å; F105-Y121 AromaticContact CE1-CD1 3.86Å; F105-Y121 HydrophobicContact CE1-CD1 3.86Å; F105-Y121 AromaticContact CE1-CD2 3.52Å; F105-Y121 HydrophobicContact CE1-CD2 3.52Å; F105-Y121 HydrophobicContact CE1-CE2 4.21Å; F105-Y121 AromaticContact CE1-CG 3.31Å; F105-Y121 HydrophobicContact CE1-CG 3.31Å; F105-Y121 AromaticContact CZ-CD1 3.63Å; F105-Y121 HydrophobicContact CZ-CD1 3.63Å; F105-Y121 AromaticContact CZ-CD2 3.84Å; F105-Y121 HydrophobicContact CZ-CD2 3.84Å; F105-Y121 AromaticContact CZ-CE1 3.97Å; F105-Y121 HydrophobicContact CZ-CE1 3.97Å; F105-Y121 HydrophobicContact CZ-CE2 4.14Å; F105-Y121 AromaticContact CZ-CG 3.58Å; F105-Y121 HydrophobicContact CZ-CG 3.58Å; F105-V123 HydrophobicContact CB-CG1 3.47Å; F105-V123 VanDerWaalsContact CB-CG1 3.47Å; F105-V123 HydrophobicContact CD1-CG1 4.32Å; F105-V123 HydrophobicContact CG-CG1 3.91Å
106	W	92.6	Very high	83.9	Confident	61 Å²	61	59.5 Å²	59.5	23%	0.231	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	149.6	171.3	64.7	96	0	0	0	112.4	D58 Y59 H98 V103	D58-W106 CarbonylContact O-C 3.55Å; D58-W106 VanDerWaalsContact O-CA 3.28Å; D58-W106 WeakPolarHBondContact O-CA 3.46Å; Y59-W106 HydrophobicContact CD1-CB 3.49Å; Y59-W106 VanDerWaalsContact CD1-CB 3.49Å; Y59-W106 HydrophobicContact CD1-CG 4.31Å; Y59-W106 HydrophobicContact CE1-CB 4.06Å; Y59-W106 HydrophobicContact CG-CB 4.21Å; H98-W106 HydrophobicContact CB-CD2 3.67Å; H98-W106 HydrophobicContact CB-CE3 4.15Å; H98-W106 HydrophobicContact CB-CG 4.19Å; H98-W106 HydrophobicContact CB-CH2 3.85Å; H98-W106 HydrophobicContact CB-CZ2 3.33Å; H98-W106 HydrophobicContact CB-CZ3 4.23Å; H98-W106 AromaticContact CD2-CD1 3.68Å; H98-W106 AromaticContact CD2-CE2 3.93Å; H98-W106 AromaticContact CD2-NE1 3.24Å; H98-W106 PolarHBondContact CD2-NE1 2.99Å; H98-W106 AromaticContact CG-CE2 3.65Å; H98-W106 AromaticContact CG-CZ2 3.81Å; H98-W106 AromaticContact CG-NE1 3.44Å; H98-W106 PolarHBondContact N-O 3.22Å; H98-W106 PolarHBondContact O-N 3.32Å; V103-W106 HydrophobicContact CB-CZ3 4.23Å; V103-W106 HydrophobicContact CG1-CZ3 3.91Å
107	C	90.2	Very high	83.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.7	171	-179.6	0	0	0	0	108.3	G57 D58 V97 F105 Q112 C118 Y121	G57-C107 CarbonylContact C-O 3.59Å; G57-C107 WeakPolarHBondContact CA-O 3.34Å; D58-C107 PolarHBondContact N-O 3.43Å; D58-C107 PolarHBondContact O-N 3.29Å; V97-C107 HydrophobicContact CG1-CB 4.13Å; F105-C107 HydrophobicContact CE1-CB 4.46Å; C107-Q112 PolarHBondContact SG-NE2 3.29Å; C107-C118 HydrophobicContact CB-CB 3.67Å; C107-C118 WeakPolarHBondContact CB-SG 3.27Å; C107-C118 PolarHBondContact O-SG 2.88Å; C107-C118 VanDerWaalsContact O-SG 3.37Å; C107-C118 WeakPolarHBondContact SG-CB 3.36Å; C107-C118 CovalentContact SG-SG 2.04Å; C107-C118 PolarHBondContact SG-SG 3.45Å; C107-Y121 HydrophobicContact CB-CD2 4.44Å; C107-Y121 HydrophobicContact CB-CE2 4.21Å
108	L	88	Confident	83.9	Confident	37 Å²	37	59.5 Å²	59.5	19%	0.194	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.8	179.6	-58.4	-176.4	0	0	0	110.9	Y59 E110 E111 Q112 C118	Y59-L108 HydrophobicContact CE1-CD2 3.51Å; Y59-L108 HydrophobicContact CE2-CD2 4.42Å; Y59-L108 WeakPolarHBondContact OH-CD2 3.41Å; L108-E110 PolarHBondContact O-N 3.01Å; L108-E111 HydrophobicContact CB-CB 4.2Å; L108-E111 HydrophobicContact CB-CG 3.92Å; L108-E111 HydrophobicContact CD1-CG 4.19Å; L108-E111 PolarHBondContact O-N 3.33Å; L108-E111 VanDerWaalsContact O-N 3.13Å; L108-Q112 WeakPolarHBondContact O-CG 3.08Å; L108-Q112 PolarHBondContact O-NE2 3.13Å; L108-C118 PolarHBondContact N-SG 3.26Å; L108-C118 VanDerWaalsContact N-SG 3.35Å
109	N	85.9	Confident	83.8	Confident	24 Å²	24	58.6 Å²	58.6	13%	0.128	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-61	-33.7	176.1	-71.6	-21.4	0	0	0	111.5	G55 R56 G57 E111 Q112 N117 C118	G55-N109 PolarHBondContact O-ND2 3.39Å; R56-N109 PolarHBondContact O-N 2.96Å; G57-N109 PolarHBondContact N-ND2 3.47Å; N109-E111 PolarHBondContact O-N 2.79Å; N109-Q112 PolarHBondContact O-N 3.42Å; N109-N117 WeakPolarHBondContact OD1-CA 3.28Å; N109-C118 WeakPolarHBondContact OD1-CB 3.33Å; N109-C118 PolarHBondContact OD1-N 3.41Å
110	E	84.4	Confident	84	Confident	158 Å²	158	57 Å²	57	74%	0.738	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-69.1	-20.7	179	-65.5	177.5	-171.2	0	0	113.4	L108	L108-E110 PolarHBondContact O-N 3.01Å
111	E	85.6	Confident	84.2	Confident	82 Å²	82	54 Å²	54	38%	0.383	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-92.6	-5.8	177.1	-64.8	-178.4	161.4	0	0	112.6	V96 H98 L108 N109	V96-E111 HydrophobicContact CB-CB 4.29Å; V96-E111 HydrophobicContact CG1-CB 4.3Å; H98-E111 IonicContact CD2-OE2 2.66Å; H98-E111 PolarHBondContact CD2-OE2 2.69Å; H98-E111 IonicContact CE1-OE2 3.11Å; H98-E111 IonicContact NE2-OE1 3.99Å; H98-E111 IonicContact NE2-OE2 3.77Å; H98-E111 PolarHBondContact NE2-OE2 3.25Å; L108-E111 HydrophobicContact CB-CB 4.2Å; L108-E111 HydrophobicContact CB-CG 3.92Å; L108-E111 HydrophobicContact CD1-CG 4.19Å; L108-E111 PolarHBondContact O-N 3.33Å; L108-E111 VanDerWaalsContact O-N 3.13Å; N109-E111 PolarHBondContact O-N 2.79Å
112	Q	87.1	Confident	84.7	Confident	22 Å²	22	52.7 Å²	52.7	10%	0.103	32%	0.318	C	S	.	.	S	Bend	trans	-88.3	159.3	176.3	-52.3	-40.2	-54.9	0	0	111.5	E95 V96 C107 L108 N109 S116	E95-Q112 VanDerWaalsContact CA-OE1 3.23Å; V96-Q112 PolarHBondContact O-NE2 3.32Å; C107-Q112 PolarHBondContact SG-NE2 3.29Å; L108-Q112 WeakPolarHBondContact O-CG 3.08Å; L108-Q112 PolarHBondContact O-NE2 3.13Å; N109-Q112 PolarHBondContact O-N 3.42Å; Q112-S116 WeakPolarHBondContact CB-O 3.42Å
113	S	79.1	Confident	85.3	Confident	77 Å²	77	48.1 Å²	48.1	54%	0.538	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-60.7	146.9	176.3	32.4	0	0	0	0	112.2	G115 S116	S113-G115 PolarHBondContact O-N 3.19Å; S113-G115 VanDerWaalsContact O-N 3.12Å; S113-S116 WeakPolarHBondContact O-CB 3.24Å; S113-S116 PolarHBondContact O-N 3.37Å
114	P	64.5	Low	85.7	Confident	140 Å²	140	47.8 Å²	47.8	91%	0.909	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	118.1	-174.5	-23.3	32	0	0	0	112.4
115	G	69.4	Low	85.9	Confident	84 Å²	84	47.8 Å²	47.8	87%	0.866	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.1	0.4	-177.6	0	0	0	0	0	115.3	S113	S113-G115 PolarHBondContact O-N 3.19Å; S113-G115 VanDerWaalsContact O-N 3.12Å
116	S	74.4	Confident	85.6	Confident	61 Å²	61	49.2 Å²	49.2	43%	0.427	29%	0.288	S	S	.	.			trans	-108.9	130.9	171.2	-57.9	0	0	0	0	110	Q112 S113	Q112-S116 WeakPolarHBondContact CB-O 3.42Å; S113-S116 WeakPolarHBondContact O-CB 3.24Å; S113-S116 PolarHBondContact O-N 3.37Å
117	N	85.6	Confident	85.2	Confident	110 Å²	110	46.8 Å²	46.8	59%	0.588	28%	0.281	S	S	*	.			trans	-105.5	157.6	171.1	-70.4	-3	0	0	0	109.3	N109	N109-N117 WeakPolarHBondContact OD1-CA 3.28Å
118	C	88.3	Confident	84.5	Confident	5 Å²	5	50 Å²	50	3%	0.034	30%	0.302	C	S	.	.			trans	-56.4	138.3	173.1	-71.4	0	0	0	0	111.7	P53 D58 C107 L108 N109	P53-C118 WeakPolarHBondContact CB-O 3.46Å; D58-C118 HydrophobicContact CB-CB 4.37Å; C107-C118 HydrophobicContact CB-CB 3.67Å; C107-C118 WeakPolarHBondContact CB-SG 3.27Å; C107-C118 PolarHBondContact O-SG 2.88Å; C107-C118 VanDerWaalsContact O-SG 3.37Å; C107-C118 WeakPolarHBondContact SG-CB 3.36Å; C107-C118 CovalentContact SG-SG 2.04Å; C107-C118 PolarHBondContact SG-SG 3.45Å; L108-C118 PolarHBondContact N-SG 3.26Å; L108-C118 VanDerWaalsContact N-SG 3.35Å; N109-C118 WeakPolarHBondContact OD1-CB 3.33Å; N109-C118 PolarHBondContact OD1-N 3.41Å
119	S	88.7	Confident	83.5	Confident	42 Å²	42	52.4 Å²	52.4	29%	0.294	31%	0.31	S	S	.	.			trans	-68.3	163	169	-68	0	0	0	0	111.1	E95 Y121	E95-S119 WeakPolarHBondContact OE1-CB 3.49Å; E95-S119 PolarHBondContact OE1-N 2.71Å; E95-S119 PolarHBondContact OE1-OG 3.13Å; E95-S119 PolarHBondContact OE2-N 3.43Å; S119-Y121 WeakPolarHBondContact O-CD2 3.35Å; S119-Y121 WeakPolarHBondContact O-CE2 3.41Å
120	N	89.1	Confident	81.8	Confident	26 Å²	26	59.8 Å²	59.8	14%	0.139	34%	0.344	C	S	.	.			trans	-81.8	115.1	175.5	-167	2.4	0	0	0	110	N49 D51 P53 T84 T85	N49-N120 PolarHBondContact ND2-OD1 2.86Å; D51-N120 PolarHBondContact O-OD1 3.14Å; P53-N120 VanDerWaalsContact CD-CG 3.45Å; P53-N120 HydrophobicContact CG-CB 3.8Å; T84-N120 CarbonylContact C-O 3.56Å; T84-N120 WeakPolarHBondContact CA-O 3.38Å; T85-N120 HydrophobicContact CG2-CB 4.09Å; T85-N120 PolarHBondContact N-O 3.05Å
121	Y	90.1	Very high	79.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	149.9	-173.6	-70.2	-88.6	0	0	0	113.8	N49 D58 E60 R83 T84 A90 T93 E95 V97 F105 C107 S119	N49-Y121 PolarHBondContact ND2-O 2.86Å; D58-Y121 WeakPolarHBondContact OD2-CA 3.33Å; D58-Y121 VanDerWaalsContact OD2-CB 3.3Å; D58-Y121 WeakPolarHBondContact OD2-CB 3.5Å; D58-Y121 PolarHBondContact OD2-N 2.85Å; E60-Y121 WeakPolarHBondContact CG-O 3.34Å; R83-Y121 VanDerWaalsContact C-CD1 3.48Å; R83-Y121 CarbonylContact O-C 3.41Å; R83-Y121 VanDerWaalsContact O-CA 3.28Å; R83-Y121 WeakPolarHBondContact O-CA 3.46Å; T84-Y121 HydrophobicContact CG2-CD1 4.05Å; T84-Y121 HydrophobicContact CG2-CE1 3.61Å; A90-Y121 HydrophobicContact CB-CD1 3.89Å; A90-Y121 HydrophobicContact CB-CE1 3.47Å; A90-Y121 VanDerWaalsContact CB-CE1 3.47Å; T93-Y121 WeakPolarHBondContact CB-OH 3.35Å; T93-Y121 HydrophobicContact CG2-CE1 4.11Å; T93-Y121 WeakPolarHBondContact CG2-OH 3.46Å; T93-Y121 PolarHBondContact OG1-OH 3.48Å; E95-Y121 WeakPolarHBondContact OE2-CE2 3.43Å; E95-Y121 VanDerWaalsContact OE2-CZ 3.26Å; E95-Y121 PolarHBondContact OE2-OH 2.79Å; V97-Y121 HydrophobicContact CG1-CE2 4.26Å; F105-Y121 HydrophobicContact CD1-CG 4.33Å; F105-Y121 VanDerWaalsContact CE1-CB 3.43Å; F105-Y121 AromaticContact CE1-CD1 3.86Å; F105-Y121 HydrophobicContact CE1-CD1 3.86Å; F105-Y121 AromaticContact CE1-CD2 3.52Å; F105-Y121 HydrophobicContact CE1-CD2 3.52Å; F105-Y121 HydrophobicContact CE1-CE2 4.21Å; F105-Y121 AromaticContact CE1-CG 3.31Å; F105-Y121 HydrophobicContact CE1-CG 3.31Å; F105-Y121 AromaticContact CZ-CD1 3.63Å; F105-Y121 HydrophobicContact CZ-CD1 3.63Å; F105-Y121 AromaticContact CZ-CD2 3.84Å; F105-Y121 HydrophobicContact CZ-CD2 3.84Å; F105-Y121 AromaticContact CZ-CE1 3.97Å; F105-Y121 HydrophobicContact CZ-CE1 3.97Å; F105-Y121 HydrophobicContact CZ-CE2 4.14Å; F105-Y121 AromaticContact CZ-CG 3.58Å; F105-Y121 HydrophobicContact CZ-CG 3.58Å; C107-Y121 HydrophobicContact CB-CD2 4.44Å; C107-Y121 HydrophobicContact CB-CE2 4.21Å; S119-Y121 WeakPolarHBondContact O-CD2 3.35Å; S119-Y121 WeakPolarHBondContact O-CE2 3.41Å
122	A	90.7	Very high	77.3	Confident	9 Å²	9	64.6 Å²	64.6	7%	0.074	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.7	170.9	0	0	0	0	0	109.5	W47 F48 N49 A82 R83	W47-A122 HydrophobicContact CE3-CB 4.33Å; W47-A122 VanDerWaalsContact CZ3-O 3.27Å; W47-A122 WeakPolarHBondContact CZ3-O 3.41Å; F48-A122 CarbonylContact O-C 3.55Å; F48-A122 WeakPolarHBondContact O-CA 3.44Å; F48-A122 WeakPolarHBondContact O-CB 3.34Å; N49-A122 HydrophobicContact CB-CB 3.93Å; A82-A122 WeakPolarHBondContact CA-O 3.16Å; R83-A122 PolarHBondContact N-O 3.31Å; R83-A122 PolarHBondContact O-N 3.35Å
123	V	93.7	Very high	74.9	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.8	-177.2	-59.2	0	0	0	0	114.6	W47 F48 E60 I65 I80 E81 A82 F105 F125	W47-V123 CarbonylContact C-O 3.52Å; W47-V123 WeakPolarHBondContact CA-O 3.26Å; F48-V123 PolarHBondContact N-O 2.78Å; F48-V123 PolarHBondContact O-N 3.25Å; E60-V123 HydrophobicContact CB-CB 4.45Å; E60-V123 HydrophobicContact CB-CG1 3.8Å; E60-V123 HydrophobicContact CB-CG2 3.8Å; E60-V123 HydrophobicContact CG-CG1 4.25Å; E60-V123 HydrophobicContact CG-CG2 4.49Å; I65-V123 HydrophobicContact CD1-CG2 3.41Å; I65-V123 VanDerWaalsContact CD1-CG2 3.41Å; I80-V123 HydrophobicContact CD1-CB 4.11Å; I80-V123 HydrophobicContact CD1-CG1 4.11Å; I80-V123 HydrophobicContact CD1-CG2 4.45Å; I80-V123 HydrophobicContact CG1-CB 4.14Å; I80-V123 HydrophobicContact CG1-CG1 4.42Å; E81-V123 CarbonylContact O-C 3.54Å; E81-V123 WeakPolarHBondContact O-CA 3.3Å; A82-V123 HydrophobicContact CB-CG1 3.81Å; F105-V123 HydrophobicContact CB-CG1 3.47Å; F105-V123 VanDerWaalsContact CB-CG1 3.47Å; F105-V123 HydrophobicContact CD1-CG1 4.32Å; F105-V123 HydrophobicContact CG-CG1 3.91Å; V123-F125 HydrophobicContact CG2-CE2 3.89Å; V123-F125 HydrophobicContact CG2-CZ 4.15Å
124	R	91.9	Very high	73	Confident	64 Å²	64	71.9 Å²	71.9	24%	0.242	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159.9	169	64.4	173.5	-179.5	-175	-2.9	111.6	W44 T46 W47 I80 E81	W44-R124 HydrophobicContact CE3-CG 3.86Å; W44-R124 HydrophobicContact CZ3-CG 4.34Å; T46-R124 WeakPolarHBondContact O-CB 3.47Å; W47-R124 HydrophobicContact CD2-CB 4.09Å; W47-R124 HydrophobicContact CD2-CG 3.91Å; W47-R124 VanDerWaalsContact CE2-CD 3.44Å; W47-R124 HydrophobicContact CE3-CB 4.14Å; W47-R124 HydrophobicContact CE3-CG 3.95Å; W47-R124 HydrophobicContact CG-CB 4.42Å; W47-R124 HydrophobicContact CH2-CG 3.96Å; W47-R124 HydrophobicContact CZ2-CG 3.9Å; W47-R124 VanDerWaalsContact CZ2-NE 3.27Å; W47-R124 HydrophobicContact CZ3-CG 3.97Å; I80-R124 WeakPolarHBondContact CA-O 3.19Å; E81-R124 HydrophobicContact CB-CG 4.06Å; E81-R124 PolarHBondContact N-O 3.06Å; E81-R124 PolarHBondContact O-N 3.45Å; E81-R124 IonicContact OE1-NH2 3.8Å; E81-R124 IonicContact OE2-CZ 3.47Å; E81-R124 IonicContact OE2-NE 3.4Å; E81-R124 PolarHBondContact OE2-NE 2.72Å; E81-R124 IonicContact OE2-NH2 3.43Å; E81-R124 PolarHBondContact OE2-NH2 3.32Å
125	F	91.8	Very high	71.9	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.5	-172	-63.1	-87.4	0	0	0	112.8	W44 T45 F48 L62 I65 V73 P77 A79 I80 V123	W44-F125 CarbonylContact C-O 3.5Å; W44-F125 WeakPolarHBondContact CA-O 3.47Å; T45-F125 HydrophobicContact CG2-CB 4.34Å; T45-F125 WeakPolarHBondContact CG2-O 3.34Å; T45-F125 PolarHBondContact N-O 2.98Å; T45-F125 PolarHBondContact OG1-N 2.85Å; T45-F125 PolarHBondContact OG1-O 3.19Å; F48-F125 HydrophobicContact CD2-CD2 4.37Å; F48-F125 HydrophobicContact CD2-CE2 4.49Å; F48-F125 HydrophobicContact CE2-CD2 4.43Å; L62-F125 HydrophobicContact CB-CZ 4.32Å; L62-F125 HydrophobicContact CD1-CD1 4.34Å; L62-F125 HydrophobicContact CD1-CD2 4.34Å; L62-F125 HydrophobicContact CD1-CE1 3.86Å; L62-F125 HydrophobicContact CD1-CE2 3.89Å; L62-F125 HydrophobicContact CD1-CZ 3.63Å; I65-F125 HydrophobicContact CD1-CE2 3.84Å; I65-F125 HydrophobicContact CD1-CZ 4.22Å; V73-F125 HydrophobicContact CG1-CB 3.92Å; V73-F125 HydrophobicContact CG1-CD2 3.91Å; V73-F125 HydrophobicContact CG1-CG 3.96Å; V73-F125 HydrophobicContact CG2-CD2 4.27Å; P77-F125 HydrophobicContact CB-CB 3.7Å; P77-F125 HydrophobicContact CB-CD1 3.72Å; P77-F125 HydrophobicContact CB-CG 4.05Å; P77-F125 HydrophobicContact CG-CD1 3.87Å; P77-F125 HydrophobicContact CG-CE1 4.47Å; P77-F125 HydrophobicContact CG-CG 4.49Å; A79-F125 CarbonylContact O-C 3.56Å; A79-F125 VanDerWaalsContact O-CA 3.26Å; A79-F125 WeakPolarHBondContact O-CA 3.35Å; I80-F125 HydrophobicContact CB-CD1 3.98Å; I80-F125 HydrophobicContact CB-CE1 3.87Å; I80-F125 HydrophobicContact CD1-CD1 4.4Å; I80-F125 HydrophobicContact CD1-CE1 3.51Å; I80-F125 HydrophobicContact CD1-CZ 3.65Å; I80-F125 HydrophobicContact CG1-CD1 4.05Å; I80-F125 HydrophobicContact CG1-CE1 3.65Å; I80-F125 HydrophobicContact CG1-CZ 4.03Å; V123-F125 HydrophobicContact CG2-CE2 3.89Å; V123-F125 HydrophobicContact CG2-CZ 4.15Å
126	L	86	Confident	70.8	Confident	31 Å²	31	72.7 Å²	72.7	16%	0.162	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.1	-179.9	-174.8	65.5	0	0	0	111.8	F42 W44 R78 A79	F42-L126 HydrophobicContact CB-CD1 3.77Å; F42-L126 HydrophobicContact CB-CD2 4.36Å; F42-L126 HydrophobicContact CB-CG 3.87Å; F42-L126 HydrophobicContact CD1-CG 4.34Å; F42-L126 HydrophobicContact CG-CG 4.47Å; W44-L126 HydrophobicContact CD2-CB 3.99Å; W44-L126 HydrophobicContact CD2-CD1 3.89Å; W44-L126 HydrophobicContact CD2-CG 4.49Å; W44-L126 HydrophobicContact CE3-CB 3.83Å; W44-L126 HydrophobicContact CG-CD1 3.92Å; W44-L126 HydrophobicContact CH2-CB 3.94Å; W44-L126 HydrophobicContact CZ2-CB 4.07Å; W44-L126 HydrophobicContact CZ2-CD1 4.44Å; W44-L126 HydrophobicContact CZ2-CD2 4.27Å; W44-L126 HydrophobicContact CZ2-CG 4.49Å; W44-L126 HydrophobicContact CZ3-CB 3.81Å; R78-L126 PolarHBondContact N-O 3.12Å; A79-L126 HydrophobicContact CB-CB 4.04Å; A79-L126 HydrophobicContact CB-CD2 4.32Å; A79-L126 PolarHBondContact O-N 3.39Å
127	C	83.9	Confident	70	Confident	11 Å²	11	70.6 Å²	70.6	7%	0.074	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.9	-167.9	-74.4	0	0	0	0	114.8	F42 E43 C74	F42-C127 CarbonylContact C-O 3.4Å; F42-C127 WeakPolarHBondContact CA-O 3.02Å; E43-C127 PolarHBondContact N-O 2.99Å; E43-C127 PolarHBondContact O-N 3.1Å; C74-C127 HydrophobicContact CB-CB 3.58Å; C74-C127 WeakPolarHBondContact CB-SG 3.29Å; C74-C127 PolarHBondContact N-SG 3.25Å; C74-C127 WeakPolarHBondContact SG-CA 3.36Å; C74-C127 WeakPolarHBondContact SG-CB 3.48Å; C74-C127 CovalentContact SG-SG 2.03Å; C74-C127 PolarHBondContact SG-SG 2.74Å
128	P	76.3	Confident	68.5	Low	68 Å²	68	70.5 Å²	70.5	44%	0.442	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	149.4	-173	-1.8	15.5	0	0	0	116.5	N41 F42	N41-P128 CarbonylContact O-C 3.24Å; N41-P128 WeakPolarHBondContact O-CA 3.47Å; F42-P128 HydrophobicContact CD1-CB 4.12Å; F42-P128 HydrophobicContact CD1-CG 4.08Å; F42-P128 HydrophobicContact CE1-CB 3.84Å; F42-P128 HydrophobicContact CE1-CG 3.56Å; F42-P128 HydrophobicContact CZ-CB 4.09Å; F42-P128 HydrophobicContact CZ-CG 4.11Å
129	K	66.3	Low	67.9	Low	86 Å²	86	73.2 Å²	73.2	37%	0.374	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-95.4	136.8	171.4	-74.7	179.3	177.3	174.2	0	111.8	D40 N41 E43	D40-K129 WeakPolarHBondContact O-CD 3.48Å; D40-K129 IonicContact OD1-NZ 2.84Å; D40-K129 IonicContact OD2-NZ 2.68Å; D40-K129 PolarHBondContact OD2-NZ 3.17Å; N41-K129 PolarHBondContact O-N 2.87Å; E43-K129 HydrophobicContact CG-CG 4.45Å; E43-K129 WeakPolarHBondContact OE2-CE 3.35Å; E43-K129 IonicContact OE2-NZ 2.83Å
130	E	49.8	Very low	67	Low	180 Å²	180	71.9 Å²	71.9	84%	0.841	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-91.2	143.9	-168.8	-79.2	-166.1	152.9	0	0	117.7
131	R	39.4	Very low	66.1	Low	237 Å²	237	78.1 Å²	78.1	89%	0.894	41%	0.41	S	S	*	.			trans	89.2	141.4	162.4	-65.2	-177.9	172.4	-168.8	-3.2	119.5
132	S	37.9	Very low	65.6	Low	103 Å²	103	81 Å²	81	72%	0.72	42%	0.421	S	S	*	.			cis	-176.5	158.6	-11.8	54.4	0	0	0	0	112.3
133	V	34.9	Very low	65	Low	145 Å²	145	82.1 Å²	82.1	88%	0.879	43%	0.428	S	S	*	.			trans	101.6	140.5	153	-165.5	0	0	0	0	122.7
134	N	39.7	Very low	64.3	Low	108 Å²	108	89.4 Å²	89.4	58%	0.578	47%	0.467	S	S	*	.			trans	-78.8	155.2	-160.3	-96.3	-35.7	0	0	0	121.3	N172	N134-N172 PolarHBondContact OD1-ND2 3.42Å; N134-N172 VanDerWaalsContact OD1-ND2 3.12Å
135	T	41.3	Very low	63.8	Low	123 Å²	123	90 Å²	90	76%	0.755	47%	0.47	S	S	*	.			trans	-158.1	144	137.7	27.5	0	0	0	0	110.9
136	Q	46.3	Very low	63.2	Low	118 Å²	118	92 Å²	92	55%	0.551	48%	0.484	S	S	*	.			trans	-119.7	152.5	-155.5	-50	-179.7	0.9	0	0	117.4	T170 N172	Q136-T170 CarbonylContact C-O 3.21Å; Q136-T170 WeakPolarHBondContact CA-O 3.28Å; Q136-N172 HydrophobicContact CB-CB 3.99Å; Q136-N172 VanDerWaalsContact CD-CG 3.43Å; Q136-N172 HydrophobicContact CG-CB 3.47Å; Q136-N172 VanDerWaalsContact CG-CB 3.47Å; Q136-N172 VanDerWaalsContact CG-CG 3.47Å; Q136-N172 VanDerWaalsContact CG-ND2 3.26Å; Q136-N172 WeakPolarHBondContact CG-ND2 3.5Å; Q136-N172 VanDerWaalsContact NE2-CB 3.32Å; Q136-N172 PolarHBondContact NE2-ND2 2.97Å
137	G	57.2	Low	62.8	Low	16 Å²	16	95.9 Å²	95.9	17%	0.165	51%	0.511	C	S	.	.	B	Isolated β-bridge	trans	-110.8	-178.1	170.6	0	0	0	0	0	115	T170 C171	G137-T170 PolarHBondContact N-O 3.01Å; G137-C171 WeakPolarHBondContact O-CA 3.22Å; G137-C171 WeakPolarHBondContact O-CB 3.22Å
138	T	55.8	Low	62.5	Low	109 Å²	109	97.3 Å²	97.3	67%	0.669	52%	0.521	S	S	*	.			trans	-112.2	130.3	-172.6	35.6	0	0	0	0	116.8	K165 C171	T138-K165 PolarHBondContact O-N 3.42Å; T138-K165 VanDerWaalsContact O-N 3.11Å; T138-C171 VanDerWaalsContact CA-SG 3.51Å; T138-C171 PolarHBondContact N-SG 2.68Å; T138-C171 PolarHBondContact O-SG 3.16Å
139	W	75.8	Confident	62.4	Low	61 Å²	61	98.4 Å²	98.4	23%	0.231	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	150.7	-174	-71.3	106.1	0	0	0	115.1	R162 C164 C171 N172 G173 K175	W139-R162 HydrophobicContact CB-CG 4.36Å; W139-R162 HydrophobicContact CD2-CG 4.08Å; W139-R162 HydrophobicContact CE3-CG 3.78Å; W139-R162 HydrophobicContact CG-CG 4.35Å; W139-R162 HydrophobicContact CZ3-CG 4.49Å; W139-R162 WeakPolarHBondContact CZ3-O 3.47Å; W139-C164 HydrophobicContact CD2-CB 4.44Å; W139-C164 HydrophobicContact CE3-CB 3.79Å; W139-C164 VanDerWaalsContact CE3-N 3.26Å; W139-C164 HydrophobicContact CH2-CB 4.26Å; W139-C164 HydrophobicContact CZ3-CB 3.68Å; W139-C164 VanDerWaalsContact CZ3-N 3.33Å; W139-C171 HydrophobicContact CD2-CB 3.51Å; W139-C171 HydrophobicContact CE3-CB 4.12Å; W139-C171 HydrophobicContact CG-CB 3.74Å; W139-C171 HydrophobicContact CH2-CB 4.31Å; W139-C171 HydrophobicContact CZ2-CB 3.78Å; W139-C171 WeakPolarHBondContact CZ2-O 3.35Å; W139-C171 HydrophobicContact CZ3-CB 4.48Å; W139-N172 VanDerWaalsContact NE1-C 3.33Å; W139-N172 PolarHBondContact NE1-O 3.36Å; W139-G173 VanDerWaalsContact CE2-O 3.27Å; W139-G173 WeakPolarHBondContact CZ2-O 3.49Å; W139-G173 PolarHBondContact NE1-O 3.24Å; W139-G173 VanDerWaalsContact NE1-O 3.1Å; W139-K175 HydrophobicContact CH2-CB 3.55Å; W139-K175 HydrophobicContact CH2-CD 4.44Å; W139-K175 HydrophobicContact CH2-CG 3.79Å; W139-K175 HydrophobicContact CZ2-CB 4.26Å; W139-K175 HydrophobicContact CZ3-CB 3.97Å; W139-K175 HydrophobicContact CZ3-CD 4.48Å; W139-K175 HydrophobicContact CZ3-CG 3.74Å
140	G	68.9	Low	62.5	Low	14 Å²	14	94.9 Å²	94.9	14%	0.144	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-173.6	168.6	0	0	0	0	0	114.3	N163	G140-N163 VanDerWaalsContact CA-O 3.23Å; G140-N163 WeakPolarHBondContact CA-O 3.31Å; G140-N163 PolarHBondContact N-O 2.89Å
141	L	69.4	Low	63.4	Low	157 Å²	157	92.5 Å²	92.5	82%	0.822	51%	0.507	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	147.2	-178.2	-76	152.5	0	0	0	112	R162	L141-R162 WeakPolarHBondContact O-CB 2.91Å
142	W	79.7	Confident	64.5	Low	61 Å²	61	84 Å²	84	23%	0.231	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	145.9	175.2	-71.3	108.2	0	0	0	112	R160 H161 R162 P174 K175 E177	W142-R160 HydrophobicContact CD2-CG 4.23Å; W142-R160 HydrophobicContact CE3-CB 4.49Å; W142-R160 HydrophobicContact CE3-CG 3.77Å; W142-R160 HydrophobicContact CZ3-CG 4.34Å; W142-R160 WeakPolarHBondContact CZ3-O 3.33Å; W142-H161 CarbonylContact C-O 3.56Å; W142-R162 HydrophobicContact CB-CB 4.47Å; W142-R162 HydrophobicContact CD2-CB 3.61Å; W142-R162 HydrophobicContact CD2-CG 3.68Å; W142-R162 HydrophobicContact CE3-CB 3.56Å; W142-R162 HydrophobicContact CE3-CG 3.65Å; W142-R162 HydrophobicContact CG-CB 4.02Å; W142-R162 HydrophobicContact CG-CG 4.45Å; W142-R162 HydrophobicContact CH2-CG 3.66Å; W142-R162 HydrophobicContact CZ2-CG 3.76Å; W142-R162 HydrophobicContact CZ3-CB 4.02Å; W142-R162 HydrophobicContact CZ3-CG 3.62Å; W142-P174 WeakPolarHBondContact CH2-O 2.97Å; W142-K175 WeakPolarHBondContact CZ3-O 3.07Å; W142-E177 HydrophobicContact CE3-CB 4.47Å; W142-E177 HydrophobicContact CH2-CB 3.56Å; W142-E177 HydrophobicContact CZ2-CB 3.84Å; W142-E177 HydrophobicContact CZ3-CB 3.88Å
143	S	78.6	Confident	65.7	Low	32 Å²	32	82 Å²	82	22%	0.224	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-73.9	172.2	167.2	64.3	0	0	0	0	111.9	R160 H161	S143-R160 WeakPolarHBondContact O-CB 3.01Å; S143-H161 VanDerWaalsContact CB-NE2 3.32Å; S143-H161 WeakPolarHBondContact CB-NE2 3.28Å; S143-H161 WeakPolarHBondContact CB-O 3.23Å; S143-H161 PolarHBondContact N-O 2.89Å; S143-H161 PolarHBondContact OG-CD2 2.85Å; S143-H161 PolarHBondContact OG-CE1 2.88Å; S143-H161 PolarHBondContact OG-N 2.77Å; S143-H161 PolarHBondContact OG-ND1 3.36Å; S143-H161 PolarHBondContact OG-NE2 3.13Å; S143-H161 PolarHBondContact OG-O 2.8Å; S143-H161 VanDerWaalsContact OG-O 3.04Å
144	N	80.1	Confident	67.2	Low	153 Å²	153	80.6 Å²	80.6	82%	0.818	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-68.2	152.7	172.8	-68.3	-20.9	0	0	0	110.9
145	W	81.6	Confident	68.3	Low	78 Å²	78	80.3 Å²	80.3	30%	0.295	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-66	140.4	177.7	-70.1	104.1	0	0	0	112	Q158 R160 E177 K179	W145-Q158 HydrophobicContact CB-CB 4.46Å; W145-Q158 HydrophobicContact CE3-CB 3.97Å; W145-Q158 WeakPolarHBondContact CZ3-O 3.39Å; W145-R160 HydrophobicContact CD2-CB 3.93Å; W145-R160 HydrophobicContact CD2-CG 3.84Å; W145-R160 HydrophobicContact CE3-CB 3.79Å; W145-R160 HydrophobicContact CE3-CG 3.75Å; W145-R160 HydrophobicContact CG-CB 4.39Å; W145-R160 HydrophobicContact CH2-CG 3.69Å; W145-R160 VanDerWaalsContact CZ2-CD 3.46Å; W145-R160 HydrophobicContact CZ2-CG 3.8Å; W145-R160 HydrophobicContact CZ3-CB 4.16Å; W145-R160 HydrophobicContact CZ3-CG 3.67Å; W145-E177 HydrophobicContact CH2-CB 4.06Å; W145-E177 HydrophobicContact CH2-CG 3.91Å; W145-E177 WeakPolarHBondContact CZ3-O 3.36Å; W145-K179 HydrophobicContact CD2-CB 4.47Å; W145-K179 HydrophobicContact CE3-CB 4.15Å; W145-K179 HydrophobicContact CH2-CB 3.45Å; W145-K179 VanDerWaalsContact CH2-CB 3.45Å; W145-K179 HydrophobicContact CZ2-CB 3.79Å; W145-K179 HydrophobicContact CZ2-CD 4.48Å; W145-K179 HydrophobicContact CZ3-CB 3.64Å; W145-K179 VanDerWaalsContact CZ3-N 3.31Å
146	S	77.7	Confident	69.7	Low	41 Å²	41	75 Å²	75	29%	0.287	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-67.3	161.1	172.2	73.3	0	0	0	0	111.8	Q158 L159	S146-Q158 WeakPolarHBondContact O-CB 3.04Å; S146-Q158 WeakPolarHBondContact O-CG 3.38Å; S146-Q158 PolarHBondContact O-NE2 2.86Å; S146-Q158 VanDerWaalsContact O-NE2 3.17Å; S146-L159 WeakPolarHBondContact CB-O 3.28Å; S146-L159 PolarHBondContact N-O 2.81Å; S146-L159 PolarHBondContact OG-N 3.32Å; S146-L159 PolarHBondContact OG-O 2.82Å
147	P	77.3	Confident	71	Confident	113 Å²	113	72.6 Å²	72.6	73%	0.734	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-57.3	154.6	166.4	-19.2	31.5	0	0	0	111.5	P149	P147-P149 WeakPolarHBondContact O-CD 3.2Å
148	C	78.5	Confident	72	Confident	41 Å²	41	74.3 Å²	74.3	28%	0.277	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-73.4	120.7	-178.9	-172.5	0	0	0	0	110.3	A150 Q158 C181	C148-A150 VanDerWaalsContact C-N 3.3Å; C148-A150 PolarHBondContact O-N 2.91Å; C148-Q158 HydrophobicContact CB-CG 4.07Å; C148-C181 WeakPolarHBondContact CA-SG 3.28Å; C148-C181 HydrophobicContact CB-CB 3.7Å; C148-C181 WeakPolarHBondContact CB-SG 3.34Å; C148-C181 VanDerWaalsContact SG-C 3.55Å; C148-C181 WeakPolarHBondContact SG-CB 3.44Å; C148-C181 CovalentContact SG-SG 2.02Å; C148-C181 PolarHBondContact SG-SG 2.77Å
149	P	73.7	Confident	73	Confident	90 Å²	90	73.1 Å²	73.1	58%	0.584	42%	0.42	S	S	*	.			trans	-84.4	-2.8	-176.7	33.2	-34	0	0	0	113.5	P147 L151 V157	P147-P149 WeakPolarHBondContact O-CD 3.2Å; P149-L151 PolarHBondContact O-N 3.13Å; P149-V157 WeakPolarHBondContact CD-O 3.27Å; P149-V157 WeakPolarHBondContact CG-O 3.38Å
150	A	68.3	Low	73.2	Confident	13 Å²	13	73.3 Å²	73.3	11%	0.107	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-67.1	134.2	-178.1	0	0	0	0	0	112	C148 Q154 G183	C148-A150 VanDerWaalsContact C-N 3.3Å; C148-A150 PolarHBondContact O-N 2.91Å; A150-Q154 HydrophobicContact CB-CB 4.38Å; A150-Q154 VanDerWaalsContact CB-O 3.3Å; A150-Q154 WeakPolarHBondContact CB-O 2.97Å; A150-G183 WeakPolarHBondContact O-CA 3.41Å
151	L	68.2	Low	73.8	Confident	130 Å²	130	77.7 Å²	77.7	68%	0.681	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-68	169.9	166.6	-66.4	170.7	0	0	0	110.1	P149 G153 Q154	P149-L151 PolarHBondContact O-N 3.13Å; L151-G153 PolarHBondContact O-N 2.9Å; L151-Q154 WeakPolarHBondContact O-CB 3.16Å; L151-Q154 PolarHBondContact O-N 3.08Å; L151-Q154 VanDerWaalsContact O-N 3.13Å
152	C	63.8	Low	74.1	Confident	57 Å²	57	72.7 Å²	72.7	39%	0.385	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	140	-166.9	75.8	0	0	0	0	112.5	Q154 P184 C186	C152-Q154 PolarHBondContact O-N 2.84Å; C152-P184 CarbonylContact C-O 3.54Å; C152-P184 WeakPolarHBondContact CA-O 3.38Å; C152-P184 VanDerWaalsContact CB-O 3.3Å; C152-P184 WeakPolarHBondContact CB-O 3.48Å; C152-C186 VanDerWaalsContact CA-SG 3.56Å; C152-C186 VanDerWaalsContact CB-CA 3.46Å; C152-C186 HydrophobicContact CB-CB 3.74Å; C152-C186 WeakPolarHBondContact CB-SG 3.32Å; C152-C186 PolarHBondContact O-SG 3.27Å; C152-C186 WeakPolarHBondContact SG-CA 3.49Å; C152-C186 WeakPolarHBondContact SG-CB 3.4Å; C152-C186 CovalentContact SG-SG 2.01Å; C152-C186 PolarHBondContact SG-SG 3.01Å
153	G	62.3	Low	73.6	Confident	62 Å²	62	74.4 Å²	74.4	64%	0.639	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.2	0.2	180	0	0	0	0	0	116.1	L151 P184	L151-G153 PolarHBondContact O-N 2.9Å; G153-P184 PolarHBondContact N-O 3.49Å
154	Q	67.7	Low	73.2	Confident	116 Å²	116	75 Å²	75	54%	0.542	43%	0.425	S	S	.	.	S	Bend	trans	-99.7	157.9	178.4	-63.5	-174.8	-6.5	0	0	111.6	A150 L151 C152 G183	A150-Q154 HydrophobicContact CB-CB 4.38Å; A150-Q154 VanDerWaalsContact CB-O 3.3Å; A150-Q154 WeakPolarHBondContact CB-O 2.97Å; L151-Q154 WeakPolarHBondContact O-CB 3.16Å; L151-Q154 PolarHBondContact O-N 3.08Å; L151-Q154 VanDerWaalsContact O-N 3.13Å; C152-Q154 PolarHBondContact O-N 2.84Å; Q154-G183 PolarHBondContact O-N 3.03Å
155	V	62	Low	72.1	Confident	102 Å²	102	75.3 Å²	75.3	62%	0.618	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.7	173.1	-170.5	0	0	0	0	107.9	P180 C181 N182	V155-P180 HydrophobicContact CG1-CB 4.11Å; V155-C181 CarbonylContact C-O 3.58Å; V155-C181 WeakPolarHBondContact CA-O 3.04Å; V155-N182 WeakPolarHBondContact CG2-OD1 3.5Å
156	G	71.2	Confident	70.9	Confident	10 Å²	10	73.4 Å²	73.4	10%	0.103	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-175.8	175	0	0	0	0	0	110.4	P180 C181	G156-P180 CarbonylContact O-C 3.57Å; G156-P180 VanDerWaalsContact O-CA 3.31Å; G156-P180 WeakPolarHBondContact O-CA 3.4Å; G156-C181 CarbonylContact C-O 3.56Å; G156-C181 PolarHBondContact N-O 3.45Å; G156-C181 PolarHBondContact O-N 3.01Å; G156-C181 PolarHBondContact O-SG 3.27Å
157	V	73.4	Confident	69.7	Low	69 Å²	69	81.4 Å²	81.4	42%	0.418	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	116	179.8	-178.7	0	0	0	0	108.7	P149 L159 K179	P149-V157 WeakPolarHBondContact CD-O 3.27Å; P149-V157 WeakPolarHBondContact CG-O 3.38Å; V157-L159 HydrophobicContact CG1-CD2 4.15Å; V157-K179 CarbonylContact C-O 3.52Å; V157-K179 WeakPolarHBondContact CA-O 3.01Å
158	Q	77.9	Confident	68.5	Low	51 Å²	51	81.6 Å²	81.6	24%	0.238	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142.3	168.3	-71.4	179.1	-33.2	0	0	108.5	W145 S146 C148 G178 K179 C181	W145-Q158 HydrophobicContact CB-CB 4.46Å; W145-Q158 HydrophobicContact CE3-CB 3.97Å; W145-Q158 WeakPolarHBondContact CZ3-O 3.39Å; S146-Q158 WeakPolarHBondContact O-CB 3.04Å; S146-Q158 WeakPolarHBondContact O-CG 3.38Å; S146-Q158 PolarHBondContact O-NE2 2.86Å; S146-Q158 VanDerWaalsContact O-NE2 3.17Å; C148-Q158 HydrophobicContact CB-CG 4.07Å; Q158-G178 CarbonylContact O-C 3.54Å; Q158-G178 VanDerWaalsContact O-CA 3.27Å; Q158-G178 WeakPolarHBondContact O-CA 3.27Å; Q158-K179 PolarHBondContact N-O 2.85Å; Q158-K179 PolarHBondContact O-N 3.13Å; Q158-C181 HydrophobicContact CG-CB 3.77Å
159	L	77.9	Confident	67.3	Low	85 Å²	85	82.7 Å²	82.7	45%	0.445	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.2	-176.7	-62.7	167.8	0	0	0	110.1	S146 V157 I176 E177	S146-L159 WeakPolarHBondContact CB-O 3.28Å; S146-L159 PolarHBondContact N-O 2.81Å; S146-L159 PolarHBondContact OG-N 3.32Å; S146-L159 PolarHBondContact OG-O 2.82Å; V157-L159 HydrophobicContact CG1-CD2 4.15Å; L159-I176 HydrophobicContact CB-CG2 4.08Å; L159-I176 HydrophobicContact CD2-CG2 3.89Å; L159-I176 HydrophobicContact CG-CG2 4.42Å; L159-E177 VanDerWaalsContact CA-O 3.32Å; L159-E177 WeakPolarHBondContact CA-O 3.31Å
160	R	78.1	Confident	66.4	Low	65 Å²	65	83.3 Å²	83.3	25%	0.245	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.9	166.8	67.3	176.8	179.1	-175.8	-3.1	110	W142 S143 W145 I176 E177	W142-R160 HydrophobicContact CD2-CG 4.23Å; W142-R160 HydrophobicContact CE3-CB 4.49Å; W142-R160 HydrophobicContact CE3-CG 3.77Å; W142-R160 HydrophobicContact CZ3-CG 4.34Å; W142-R160 WeakPolarHBondContact CZ3-O 3.33Å; S143-R160 WeakPolarHBondContact O-CB 3.01Å; W145-R160 HydrophobicContact CD2-CB 3.93Å; W145-R160 HydrophobicContact CD2-CG 3.84Å; W145-R160 HydrophobicContact CE3-CB 3.79Å; W145-R160 HydrophobicContact CE3-CG 3.75Å; W145-R160 HydrophobicContact CG-CB 4.39Å; W145-R160 HydrophobicContact CH2-CG 3.69Å; W145-R160 VanDerWaalsContact CZ2-CD 3.46Å; W145-R160 HydrophobicContact CZ2-CG 3.8Å; W145-R160 HydrophobicContact CZ3-CB 4.16Å; W145-R160 HydrophobicContact CZ3-CG 3.67Å; R160-I176 CarbonylContact O-C 3.57Å; R160-I176 VanDerWaalsContact O-CA 3.28Å; R160-I176 WeakPolarHBondContact O-CA 3.24Å; R160-E177 HydrophobicContact CG-CB 4.17Å; R160-E177 IonicContact CZ-OE2 2.74Å; R160-E177 PolarHBondContact N-O 2.94Å; R160-E177 IonicContact NE-OE2 3.97Å; R160-E177 PolarHBondContact NE-OE2 3.24Å; R160-E177 IonicContact NH2-OE1 2.66Å; R160-E177 IonicContact NH2-OE2 2.75Å; R160-E177 PolarHBondContact NH2-OE2 2.96Å; R160-E177 PolarHBondContact O-N 2.9Å
161	H	82.4	Confident	66	Low	106 Å²	106	83.1 Å²	83.1	49%	0.491	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.2	-172.6	52.7	-99.4	0	0	0	112.6	W142 S143 K175 I176	W142-H161 CarbonylContact C-O 3.56Å; S143-H161 VanDerWaalsContact CB-NE2 3.32Å; S143-H161 WeakPolarHBondContact CB-NE2 3.28Å; S143-H161 WeakPolarHBondContact CB-O 3.23Å; S143-H161 PolarHBondContact N-O 2.89Å; S143-H161 PolarHBondContact OG-CD2 2.85Å; S143-H161 PolarHBondContact OG-CE1 2.88Å; S143-H161 PolarHBondContact OG-N 2.77Å; S143-H161 PolarHBondContact OG-ND1 3.36Å; S143-H161 PolarHBondContact OG-NE2 3.13Å; S143-H161 PolarHBondContact OG-O 2.8Å; S143-H161 VanDerWaalsContact OG-O 3.04Å; H161-K175 CarbonylContact C-O 3.38Å; H161-K175 VanDerWaalsContact CA-O 3.28Å; H161-K175 WeakPolarHBondContact CA-O 3.31Å; H161-I176 HydrophobicContact CB-CG1 4.25Å
162	R	75	Confident	65.4	Low	51 Å²	51	79.7 Å²	79.7	19%	0.192	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.3	172.6	64.5	-179.9	171.8	-170.7	-5	109.9	W139 L141 W142 P174 K175	W139-R162 HydrophobicContact CB-CG 4.36Å; W139-R162 HydrophobicContact CD2-CG 4.08Å; W139-R162 HydrophobicContact CE3-CG 3.78Å; W139-R162 HydrophobicContact CG-CG 4.35Å; W139-R162 HydrophobicContact CZ3-CG 4.49Å; W139-R162 WeakPolarHBondContact CZ3-O 3.47Å; L141-R162 WeakPolarHBondContact O-CB 2.91Å; W142-R162 HydrophobicContact CB-CB 4.47Å; W142-R162 HydrophobicContact CD2-CB 3.61Å; W142-R162 HydrophobicContact CD2-CG 3.68Å; W142-R162 HydrophobicContact CE3-CB 3.56Å; W142-R162 HydrophobicContact CE3-CG 3.65Å; W142-R162 HydrophobicContact CG-CB 4.02Å; W142-R162 HydrophobicContact CG-CG 4.45Å; W142-R162 HydrophobicContact CH2-CG 3.66Å; W142-R162 HydrophobicContact CZ2-CG 3.76Å; W142-R162 HydrophobicContact CZ3-CB 4.02Å; W142-R162 HydrophobicContact CZ3-CG 3.62Å; R162-P174 PolarHBondContact NE-O 2.95Å; R162-P174 PolarHBondContact NH2-O 2.99Å; R162-K175 PolarHBondContact N-O 3.33Å; R162-K175 WeakPolarHBondContact O-CG 3.44Å
163	N	70.9	Confident	65.3	Low	97 Å²	97	78.9 Å²	78.9	52%	0.519	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.6	-178.9	-75.2	-21.6	0	0	0	112.1	G140 K175	G140-N163 VanDerWaalsContact CA-O 3.23Å; G140-N163 WeakPolarHBondContact CA-O 3.31Å; G140-N163 PolarHBondContact N-O 2.89Å; N163-K175 WeakPolarHBondContact OD1-CE 3.39Å
164	C	68.4	Low	65.2	Low	44 Å²	44	79.7 Å²	79.7	30%	0.297	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.2	-179.1	178.5	0	0	0	0	110.1	W139 C171	W139-C164 HydrophobicContact CD2-CB 4.44Å; W139-C164 HydrophobicContact CE3-CB 3.79Å; W139-C164 VanDerWaalsContact CE3-N 3.26Å; W139-C164 HydrophobicContact CH2-CB 4.26Å; W139-C164 HydrophobicContact CZ3-CB 3.68Å; W139-C164 VanDerWaalsContact CZ3-N 3.33Å; C164-C171 WeakPolarHBondContact CA-SG 3.12Å; C164-C171 HydrophobicContact CB-CB 3.6Å; C164-C171 WeakPolarHBondContact CB-SG 3.29Å; C164-C171 WeakPolarHBondContact SG-CB 3.41Å; C164-C171 PolarHBondContact SG-N 2.84Å; C164-C171 CovalentContact SG-SG 1.99Å; C164-C171 PolarHBondContact SG-SG 3.33Å
165	K	58.1	Low	65.3	Low	160 Å²	160	79.6 Å²	79.6	70%	0.696	44%	0.435	S	S	*	.	S	Bend	trans	-86.4	-13.3	-171.4	-82	-173.8	173.6	-176.5	0	114.2	T138	T138-K165 PolarHBondContact O-N 3.42Å; T138-K165 VanDerWaalsContact O-N 3.11Å
166	S	55.8	Low	65.8	Low	38 Å²	38	79.3 Å²	79.3	27%	0.266	43%	0.429	S	S	.	.			trans	-99.4	117.9	177.8	44.7	0	0	0	0	110.9	S168 V169	S166-S168 VanDerWaalsContact C-N 3.28Å; S166-S168 PolarHBondContact O-N 3.41Å; S166-V169 PolarHBondContact OG-O 3.05Å
167	Q	53	Low	66.2	Low	210 Å²	210	82.2 Å²	82.2	98%	0.981	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.5	-173.8	-84.1	175.5	-23.3	0	0	115.2
168	S	52.6	Low	66.5	Low	116 Å²	116	80.9 Å²	80.9	81%	0.811	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.5	10.9	-175.9	55.1	0	0	0	0	115.3	S166	S166-S168 VanDerWaalsContact C-N 3.28Å; S166-S168 PolarHBondContact O-N 3.41Å
169	V	52.2	Low	66.5	Low	65 Å²	65	84.1 Å²	84.1	39%	0.394	45%	0.454	S	S	.	.	S	Bend	trans	-137.7	136	170.3	-164.2	0	0	0	0	110.5	S166 C171	S166-V169 PolarHBondContact OG-O 3.05Å; V169-C171 PolarHBondContact O-N 2.96Å
170	T	55.7	Low	66.4	Low	103 Å²	103	84.3 Å²	84.3	63%	0.632	46%	0.46	S	S	*	.			trans	-73.1	113.3	-173.9	-13.2	0	0	0	0	111.8	Q136 G137 N172	Q136-T170 CarbonylContact C-O 3.21Å; Q136-T170 WeakPolarHBondContact CA-O 3.28Å; G137-T170 PolarHBondContact N-O 3.01Å; T170-N172 PolarHBondContact O-N 2.83Å
171	C	59.2	Low	66.3	Low	8 Å²	8	82 Å²	82	5%	0.054	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-69.2	132.1	174.7	-58.8	0	0	0	0	112	G137 T138 W139 C164 V169	G137-C171 WeakPolarHBondContact O-CA 3.22Å; G137-C171 WeakPolarHBondContact O-CB 3.22Å; T138-C171 VanDerWaalsContact CA-SG 3.51Å; T138-C171 PolarHBondContact N-SG 2.68Å; T138-C171 PolarHBondContact O-SG 3.16Å; W139-C171 HydrophobicContact CD2-CB 3.51Å; W139-C171 HydrophobicContact CE3-CB 4.12Å; W139-C171 HydrophobicContact CG-CB 3.74Å; W139-C171 HydrophobicContact CH2-CB 4.31Å; W139-C171 HydrophobicContact CZ2-CB 3.78Å; W139-C171 WeakPolarHBondContact CZ2-O 3.35Å; W139-C171 HydrophobicContact CZ3-CB 4.48Å; C164-C171 WeakPolarHBondContact CA-SG 3.12Å; C164-C171 HydrophobicContact CB-CB 3.6Å; C164-C171 WeakPolarHBondContact CB-SG 3.29Å; C164-C171 WeakPolarHBondContact SG-CB 3.41Å; C164-C171 PolarHBondContact SG-N 2.84Å; C164-C171 CovalentContact SG-SG 1.99Å; C164-C171 PolarHBondContact SG-SG 3.33Å; V169-C171 PolarHBondContact O-N 2.96Å
172	N	56.2	Low	66.1	Low	58 Å²	58	82.9 Å²	82.9	31%	0.31	46%	0.462	S	S	.	.			trans	-105.6	147.5	-177.4	-99.1	14.1	0	0	0	112.1	N134 Q136 W139 T170	N134-N172 PolarHBondContact OD1-ND2 3.42Å; N134-N172 VanDerWaalsContact OD1-ND2 3.12Å; Q136-N172 HydrophobicContact CB-CB 3.99Å; Q136-N172 VanDerWaalsContact CD-CG 3.43Å; Q136-N172 HydrophobicContact CG-CB 3.47Å; Q136-N172 VanDerWaalsContact CG-CB 3.47Å; Q136-N172 VanDerWaalsContact CG-CG 3.47Å; Q136-N172 VanDerWaalsContact CG-ND2 3.26Å; Q136-N172 WeakPolarHBondContact CG-ND2 3.5Å; Q136-N172 VanDerWaalsContact NE2-CB 3.32Å; Q136-N172 PolarHBondContact NE2-ND2 2.97Å; W139-N172 VanDerWaalsContact NE1-C 3.33Å; W139-N172 PolarHBondContact NE1-O 3.36Å; T170-N172 PolarHBondContact O-N 2.83Å
173	G	61.3	Low	65.8	Low	40 Å²	40	80.9 Å²	80.9	41%	0.412	46%	0.458	S	S	.	.	S	Bend	trans	103.7	154.3	-158.1	0	0	0	0	0	110	W139 K175	W139-G173 VanDerWaalsContact CE2-O 3.27Å; W139-G173 WeakPolarHBondContact CZ2-O 3.49Å; W139-G173 PolarHBondContact NE1-O 3.24Å; W139-G173 VanDerWaalsContact NE1-O 3.1Å; G173-K175 PolarHBondContact O-N 2.88Å
174	P	60.3	Low	65.7	Low	79 Å²	79	80.8 Å²	80.8	51%	0.513	46%	0.462	S	S	.	.			trans	-67.6	139.7	-171	25.5	-33.2	0	0	0	111.2	W142 R162 I176	W142-P174 WeakPolarHBondContact CH2-O 2.97Å; R162-P174 PolarHBondContact NE-O 2.95Å; R162-P174 PolarHBondContact NH2-O 2.99Å; P174-I176 WeakPolarHBondContact CB-O 3.48Å
175	K	69.4	Low	65.2	Low	114 Å²	114	87.6 Å²	87.6	50%	0.496	49%	0.489	S	S	.	.	S	Bend	trans	-70.5	-25.5	170.2	-169.7	-179.6	178.8	-179.8	0	111.5	W139 W142 H161 R162 N163 G173	W139-K175 HydrophobicContact CH2-CB 3.55Å; W139-K175 HydrophobicContact CH2-CD 4.44Å; W139-K175 HydrophobicContact CH2-CG 3.79Å; W139-K175 HydrophobicContact CZ2-CB 4.26Å; W139-K175 HydrophobicContact CZ3-CB 3.97Å; W139-K175 HydrophobicContact CZ3-CD 4.48Å; W139-K175 HydrophobicContact CZ3-CG 3.74Å; W142-K175 WeakPolarHBondContact CZ3-O 3.07Å; H161-K175 CarbonylContact C-O 3.38Å; H161-K175 VanDerWaalsContact CA-O 3.28Å; H161-K175 WeakPolarHBondContact CA-O 3.31Å; R162-K175 PolarHBondContact N-O 3.33Å; R162-K175 WeakPolarHBondContact O-CG 3.44Å; N163-K175 WeakPolarHBondContact OD1-CE 3.39Å; G173-K175 PolarHBondContact O-N 2.88Å
176	I	72.8	Confident	65.2	Low	97 Å²	97	82.9 Å²	82.9	50%	0.497	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.7	-174.6	-58.2	174.3	0	0	0	107.2	L159 R160 H161 P174	L159-I176 HydrophobicContact CB-CG2 4.08Å; L159-I176 HydrophobicContact CD2-CG2 3.89Å; L159-I176 HydrophobicContact CG-CG2 4.42Å; R160-I176 CarbonylContact O-C 3.57Å; R160-I176 VanDerWaalsContact O-CA 3.28Å; R160-I176 WeakPolarHBondContact O-CA 3.24Å; H161-I176 HydrophobicContact CB-CG1 4.25Å; P174-I176 WeakPolarHBondContact CB-O 3.48Å
177	E	80.1	Confident	65.2	Low	70 Å²	70	87.6 Å²	87.6	33%	0.327	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	139.9	176.5	-167.1	-179.6	-157.8	0	0	108.3	W142 W145 L159 R160	W142-E177 HydrophobicContact CE3-CB 4.47Å; W142-E177 HydrophobicContact CH2-CB 3.56Å; W142-E177 HydrophobicContact CZ2-CB 3.84Å; W142-E177 HydrophobicContact CZ3-CB 3.88Å; W145-E177 HydrophobicContact CH2-CB 4.06Å; W145-E177 HydrophobicContact CH2-CG 3.91Å; W145-E177 WeakPolarHBondContact CZ3-O 3.36Å; L159-E177 VanDerWaalsContact CA-O 3.32Å; L159-E177 WeakPolarHBondContact CA-O 3.31Å; R160-E177 HydrophobicContact CG-CB 4.17Å; R160-E177 IonicContact CZ-OE2 2.74Å; R160-E177 PolarHBondContact N-O 2.94Å; R160-E177 IonicContact NE-OE2 3.97Å; R160-E177 PolarHBondContact NE-OE2 3.24Å; R160-E177 IonicContact NH2-OE1 2.66Å; R160-E177 IonicContact NH2-OE2 2.75Å; R160-E177 PolarHBondContact NH2-OE2 2.96Å; R160-E177 PolarHBondContact O-N 2.9Å
178	G	78.4	Confident	65.2	Low	42 Å²	42	86.7 Å²	86.7	43%	0.433	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.5	176.7	0	0	0	0	0	111.1	Q158	Q158-G178 CarbonylContact O-C 3.54Å; Q158-G178 VanDerWaalsContact O-CA 3.27Å; Q158-G178 WeakPolarHBondContact O-CA 3.27Å
179	K	78.8	Confident	65.3	Low	118 Å²	118	87.6 Å²	87.6	51%	0.513	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.1	171.4	-178.7	-176.4	175.4	-173.4	0	109	W145 V157 Q158 C181	W145-K179 HydrophobicContact CD2-CB 4.47Å; W145-K179 HydrophobicContact CE3-CB 4.15Å; W145-K179 HydrophobicContact CH2-CB 3.45Å; W145-K179 VanDerWaalsContact CH2-CB 3.45Å; W145-K179 HydrophobicContact CZ2-CB 3.79Å; W145-K179 HydrophobicContact CZ2-CD 4.48Å; W145-K179 HydrophobicContact CZ3-CB 3.64Å; W145-K179 VanDerWaalsContact CZ3-N 3.31Å; V157-K179 CarbonylContact C-O 3.52Å; V157-K179 WeakPolarHBondContact CA-O 3.01Å; Q158-K179 PolarHBondContact N-O 2.85Å; Q158-K179 PolarHBondContact O-N 3.13Å; K179-C181 PolarHBondContact O-N 2.79Å
180	P	74.8	Confident	65.5	Low	90 Å²	90	90.4 Å²	90.4	58%	0.584	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	138.8	175.9	26.2	-33.2	0	0	0	110.4	V155 G156	V155-P180 HydrophobicContact CG1-CB 4.11Å; G156-P180 CarbonylContact O-C 3.57Å; G156-P180 VanDerWaalsContact O-CA 3.31Å; G156-P180 WeakPolarHBondContact O-CA 3.4Å
181	C	76.9	Confident	65.8	Low	15 Å²	15	88.4 Å²	88.4	10%	0.101	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.8	178.6	64.6	0	0	0	0	108	C148 V155 G156 Q158 K179	C148-C181 WeakPolarHBondContact CA-SG 3.28Å; C148-C181 HydrophobicContact CB-CB 3.7Å; C148-C181 WeakPolarHBondContact CB-SG 3.34Å; C148-C181 VanDerWaalsContact SG-C 3.55Å; C148-C181 WeakPolarHBondContact SG-CB 3.44Å; C148-C181 CovalentContact SG-SG 2.02Å; C148-C181 PolarHBondContact SG-SG 2.77Å; V155-C181 CarbonylContact C-O 3.58Å; V155-C181 WeakPolarHBondContact CA-O 3.04Å; G156-C181 CarbonylContact C-O 3.56Å; G156-C181 PolarHBondContact N-O 3.45Å; G156-C181 PolarHBondContact O-N 3.01Å; G156-C181 PolarHBondContact O-SG 3.27Å; Q158-C181 HydrophobicContact CG-CB 3.77Å; K179-C181 PolarHBondContact O-N 2.79Å
182	N	78.1	Confident	66.1	Low	125 Å²	125	98 Å²	98	67%	0.668	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.1	175.3	-62.3	-16.6	0	0	0	108.7	V155	V155-N182 WeakPolarHBondContact CG2-OD1 3.5Å
183	G	69.5	Low	66.9	Low	10 Å²	10	98.5 Å²	98.5	10%	0.103	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-63.2	163.2	169.1	0	0	0	0	0	111	A150 Q154	A150-G183 WeakPolarHBondContact O-CA 3.41Å; Q154-G183 PolarHBondContact O-N 3.03Å
184	P	68.1	Low	67.6	Low	95 Å²	95	104.3 Å²	104.3	62%	0.617	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-58.4	152.9	178.6	24.1	-32	0	0	0	111.6	C152 G153 C186	C152-P184 CarbonylContact C-O 3.54Å; C152-P184 WeakPolarHBondContact CA-O 3.38Å; C152-P184 VanDerWaalsContact CB-O 3.3Å; C152-P184 WeakPolarHBondContact CB-O 3.48Å; G153-P184 PolarHBondContact N-O 3.49Å; P184-C186 PolarHBondContact O-N 2.01Å
185	E	58.7	Low	68.3	Low	186 Å²	186	101.5 Å²	101.5	87%	0.869	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-61.3	133.8	177.3	-72.6	-170.4	161.8	0	0	111	V187	E185-V187 PolarHBondContact O-N 2.96Å
186	C	57	Low	68.7	Low	61 Å²	61	104.2 Å²	104.2	41%	0.412	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-65.4	124.7	176	-67.5	0	0	0	0	110.3	C152 P184 K188	C152-C186 VanDerWaalsContact CA-SG 3.56Å; C152-C186 VanDerWaalsContact CB-CA 3.46Å; C152-C186 HydrophobicContact CB-CB 3.74Å; C152-C186 WeakPolarHBondContact CB-SG 3.32Å; C152-C186 PolarHBondContact O-SG 3.27Å; C152-C186 WeakPolarHBondContact SG-CA 3.49Å; C152-C186 WeakPolarHBondContact SG-CB 3.4Å; C152-C186 CovalentContact SG-SG 2.01Å; C152-C186 PolarHBondContact SG-SG 3.01Å; P184-C186 PolarHBondContact O-N 2.01Å; C186-K188 PolarHBondContact O-N 2.84Å; C186-K188 VanDerWaalsContact O-N 3.16Å
187	V	56.9	Low	68.9	Low	138 Å²	138	103 Å²	103	84%	0.836	55%	0.547	S	S	*	.			trans	-66.4	113.8	159.3	-175.8	0	0	0	0	106.4	E185 T189	E185-V187 PolarHBondContact O-N 2.96Å; V187-T189 PolarHBondContact O-N 2.67Å; V187-T189 VanDerWaalsContact O-N 3.08Å
188	K	52.6	Low	68.9	Low	190 Å²	190	101.6 Å²	101.6	83%	0.826	55%	0.551	S	S	*	*			trans	-56.6	113.3	172.9	-74.4	178.3	176.5	177.9	0	108.3	C186 D190	C186-K188 PolarHBondContact O-N 2.84Å; C186-K188 VanDerWaalsContact O-N 3.16Å; K188-D190 PolarHBondContact O-N 2.89Å
189	T	54.6	Low	69.1	Low	136 Å²	136	108.8 Å²	108.8	83%	0.834	57%	0.565	S	S	*	*			trans	-65.1	125.8	158.9	19.2	0	0	0	0	107.3	V187 C191	V187-T189 PolarHBondContact O-N 2.67Å; V187-T189 VanDerWaalsContact O-N 3.08Å; T189-C191 PolarHBondContact O-N 2.82Å
190	D	55.6	Low	69.2	Low	123 Å²	123	105.4 Å²	105.4	66%	0.658	55%	0.554	S	S	*	*			trans	-56.6	115	178	-70.7	-46	0	0	0	109.6	K188 Y192	K188-D190 PolarHBondContact O-N 2.89Å; D190-Y192 HydrophobicContact CB-CE2 4.32Å; D190-Y192 WeakPolarHBondContact O-CD2 3.46Å; D190-Y192 WeakPolarHBondContact O-CE2 3.1Å; D190-Y192 PolarHBondContact O-N 2.86Å
191	C	61.5	Low	69.4	Low	61 Å²	61	102.6 Å²	102.6	41%	0.412	53%	0.534	S	S	.	.			trans	-74.8	108.8	172.7	176.1	0	0	0	0	108	T189 L193 V200 C204	T189-C191 PolarHBondContact O-N 2.82Å; C191-L193 PolarHBondContact O-N 3.46Å; C191-V200 WeakPolarHBondContact SG-CG1 3.28Å; C191-C204 WeakPolarHBondContact CA-SG 3.39Å; C191-C204 HydrophobicContact CB-CB 4.06Å; C191-C204 WeakPolarHBondContact CB-SG 3.43Å; C191-C204 WeakPolarHBondContact SG-CB 3.15Å; C191-C204 CovalentContact SG-SG 2.04Å; C191-C204 PolarHBondContact SG-SG 2.79Å
192	Y	65.8	Low	69.4	Low	211 Å²	211	107 Å²	107	83%	0.827	57%	0.572	S	S	*	*			trans	-80.3	-0.2	-178	-65.9	-81.6	0	0	0	113.9	D190 H194	D190-Y192 HydrophobicContact CB-CE2 4.32Å; D190-Y192 WeakPolarHBondContact O-CD2 3.46Å; D190-Y192 WeakPolarHBondContact O-CE2 3.1Å; D190-Y192 PolarHBondContact O-N 2.86Å; Y192-H194 PolarHBondContact O-N 3.23Å
193	L	73.3	Confident	69.3	Low	68 Å²	68	106.6 Å²	106.6	36%	0.356	57%	0.57	S	S	.	*			trans	-73.9	112.2	176	-168	76.5	0	0	0	109.6	C191 V200	C191-L193 PolarHBondContact O-N 3.46Å; L193-V200 HydrophobicContact CB-CG1 4.26Å; L193-V200 HydrophobicContact CB-CG2 4.15Å; L193-V200 HydrophobicContact CD2-CB 4.5Å; L193-V200 HydrophobicContact CD2-CG1 3.72Å; L193-V200 HydrophobicContact CD2-CG2 4.21Å; L193-V200 HydrophobicContact CG-CG2 4.39Å; L193-V200 WeakPolarHBondContact O-CG2 3.46Å
194	H	76.9	Confident	69.6	Low	161 Å²	161	108.5 Å²	108.5	75%	0.745	58%	0.58	S	S	*	*			trans	-97.5	115.7	176.2	-170.9	63.6	0	0	0	110.8	Y192	Y192-H194 PolarHBondContact O-N 3.23Å
195	C	74.9	Confident	70.1	Confident	21 Å²	21	107.8 Å²	107.8	14%	0.142	57%	0.571	C	S	.	*			trans	-93.2	118	178.2	-65.7	0	0	0	0	111.2	I197 V200 C207	C195-I197 VanDerWaalsContact C-N 3.29Å; C195-V200 WeakPolarHBondContact SG-CG2 3.29Å; C195-C207 WeakPolarHBondContact CA-SG 3.45Å; C195-C207 HydrophobicContact CB-CB 3.77Å; C195-C207 WeakPolarHBondContact CB-SG 3.42Å; C195-C207 WeakPolarHBondContact SG-CA 3.43Å; C195-C207 WeakPolarHBondContact SG-CB 2.99Å; C195-C207 CovalentContact SG-SG 2.02Å; C195-C207 PolarHBondContact SG-SG 2.87Å
196	M	76.4	Confident	71.1	Confident	170 Å²	170	99.4 Å²	99.4	84%	0.837	53%	0.534	S	S	*	.	S	Bend	trans	-68.9	-30.5	174.3	-64.2	-67.9	-77.1	0	0	112.1
197	I	76.9	Confident	72.4	Confident	73 Å²	73	97.3 Å²	97.3	37%	0.374	52%	0.52	S	S	.	.	S	Bend	trans	-134.2	130.8	176.8	-51.8	-179.7	0	0	0	107.3	C195 C253 D255 L276	C195-I197 VanDerWaalsContact C-N 3.29Å; I197-C253 PolarHBondContact O-SG 3.4Å; I197-D255 HydrophobicContact CD1-CB 4.38Å; I197-L276 HydrophobicContact CD1-CD1 4.46Å
198	G	81.8	Confident	73.7	Confident	40 Å²	40	94.7 Å²	94.7	41%	0.412	50%	0.499	S	S	.	.	S	Bend	trans	85.8	-162	179.1	0	0	0	0	0	114.8	M208 C209	G198-M208 CarbonylContact C-O 3.56Å; G198-M208 VanDerWaalsContact CA-O 3.25Å; G198-M208 WeakPolarHBondContact CA-O 3.24Å; G198-C209 VanDerWaalsContact CA-SG 3.51Å
199	R	82.8	Confident	75.3	Confident	192 Å²	192	86.3 Å²	86.3	73%	0.725	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.9	179.4	-64.5	-177.2	-179.7	-138.7	-0.6	110	M208	R199-M208 PolarHBondContact N-O 3.17Å; R199-M208 PolarHBondContact O-N 3.36Å
200	V	80.5	Confident	76.6	Confident	48 Å²	48	87.9 Å²	87.9	29%	0.291	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	138.6	172.4	-175.2	0	0	0	0	109.5	C191 L193 C195 C204	C191-V200 WeakPolarHBondContact SG-CG1 3.28Å; L193-V200 HydrophobicContact CB-CG1 4.26Å; L193-V200 HydrophobicContact CB-CG2 4.15Å; L193-V200 HydrophobicContact CD2-CB 4.5Å; L193-V200 HydrophobicContact CD2-CG1 3.72Å; L193-V200 HydrophobicContact CD2-CG2 4.21Å; L193-V200 HydrophobicContact CG-CG2 4.39Å; L193-V200 WeakPolarHBondContact O-CG2 3.46Å; C195-V200 WeakPolarHBondContact SG-CG2 3.29Å; V200-C204 HydrophobicContact CG1-CB 4.22Å
201	N	79	Confident	78	Confident	30 Å²	30	88.2 Å²	88.2	16%	0.16	46%	0.46	C	S	.	.			trans	-71.3	168.7	174.4	71.2	-19.9	0	0	0	112.5	D203 C204 D205 A206 M208	N201-D203 PolarHBondContact O-N 2.95Å; N201-C204 PolarHBondContact O-N 2.89Å; N201-C204 PolarHBondContact OD1-N 2.79Å; N201-D205 PolarHBondContact ND2-OD1 2.74Å; N201-D205 PolarHBondContact OD1-N 2.91Å; N201-D205 PolarHBondContact OD1-OD1 3.24Å; N201-A206 PolarHBondContact N-O 2.8Å; N201-A206 PolarHBondContact OD1-N 3.05Å; N201-A206 PolarHBondContact OD1-O 2.81Å; N201-M208 HydrophobicContact CB-CG 3.89Å; N201-M208 HydrophobicContact CB-SD 3.53Å; N201-M208 VanDerWaalsContact CB-SD 3.53Å
202	A	75.7	Confident	79.4	Confident	109 Å²	109	85.8 Å²	85.8	90%	0.901	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-28.5	-176.8	0	0	0	0	0	113.7	C204	A202-C204 VanDerWaalsContact C-N 3.33Å
203	D	76.4	Confident	80.6	Confident	116 Å²	116	77.1 Å²	77.1	62%	0.62	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-3.6	179.8	-63	-22	0	0	0	113.3	N201 D205 K236	N201-D203 PolarHBondContact O-N 2.95Å; D203-D205 PolarHBondContact O-N 2.89Å; D203-K236 IonicContact OD2-NZ 3.77Å
204	C	76.4	Confident	81.5	Confident	49 Å²	49	73.9 Å²	73.9	33%	0.331	40%	0.395	S	S	.	.	S	Bend	trans	55.8	29.4	-175.9	-169	0	0	0	0	114.7	C191 V200 N201 A202	C191-C204 WeakPolarHBondContact CA-SG 3.39Å; C191-C204 HydrophobicContact CB-CB 4.06Å; C191-C204 WeakPolarHBondContact CB-SG 3.43Å; C191-C204 WeakPolarHBondContact SG-CB 3.15Å; C191-C204 CovalentContact SG-SG 2.04Å; C191-C204 PolarHBondContact SG-SG 2.79Å; V200-C204 HydrophobicContact CG1-CB 4.22Å; N201-C204 PolarHBondContact O-N 2.89Å; N201-C204 PolarHBondContact OD1-N 2.79Å; A202-C204 VanDerWaalsContact C-N 3.33Å
205	D	77.9	Confident	82.4	Confident	80 Å²	80	69.5 Å²	69.5	43%	0.428	38%	0.377	S	S	.	.	S	Bend	trans	-116.4	-6.7	-178.7	70.6	-4.6	0	0	0	114.2	N201 D203 K236	N201-D205 PolarHBondContact ND2-OD1 2.74Å; N201-D205 PolarHBondContact OD1-N 2.91Å; N201-D205 PolarHBondContact OD1-OD1 3.24Å; D203-D205 PolarHBondContact O-N 2.89Å; D205-K236 IonicContact OD2-NZ 3.86Å; D205-K236 PolarHBondContact OD2-NZ 2.94Å
206	A	79	Confident	83.2	Confident	10 Å²	10	68.9 Å²	68.9	8%	0.083	37%	0.373	C	S	.	.			trans	-154.3	149.6	-179.4	0	0	0	0	0	114.4	N201	N201-A206 PolarHBondContact N-O 2.8Å; N201-A206 PolarHBondContact OD1-N 3.05Å; N201-A206 PolarHBondContact OD1-O 2.81Å
207	C	85.4	Confident	84	Confident	18 Å²	18	62 Å²	62	12%	0.122	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	134.1	165.9	-56.7	0	0	0	0	110.8	C195 R233	C195-C207 WeakPolarHBondContact CA-SG 3.45Å; C195-C207 HydrophobicContact CB-CB 3.77Å; C195-C207 WeakPolarHBondContact CB-SG 3.42Å; C195-C207 WeakPolarHBondContact SG-CA 3.43Å; C195-C207 WeakPolarHBondContact SG-CB 2.99Å; C195-C207 CovalentContact SG-SG 2.02Å; C195-C207 PolarHBondContact SG-SG 2.87Å; C207-R233 PolarHBondContact O-NH1 2.85Å
208	M	84.6	Confident	84.8	Confident	82 Å²	82	58.5 Å²	58.5	40%	0.404	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.1	179.8	-71.5	-172.6	70.9	0	0	112.1	G198 R199 N201 G251	G198-M208 CarbonylContact C-O 3.56Å; G198-M208 VanDerWaalsContact CA-O 3.25Å; G198-M208 WeakPolarHBondContact CA-O 3.24Å; R199-M208 PolarHBondContact N-O 3.17Å; R199-M208 PolarHBondContact O-N 3.36Å; N201-M208 HydrophobicContact CB-CG 3.89Å; N201-M208 HydrophobicContact CB-SD 3.53Å; N201-M208 VanDerWaalsContact CB-SD 3.53Å; M208-G251 CarbonylContact C-O 3.58Å; M208-G251 WeakPolarHBondContact CA-O 3.44Å
209	C	86.8	Confident	85.1	Confident	14 Å²	14	62.2 Å²	62.2	10%	0.095	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	90.9	-177.7	-73	0	0	0	0	109.2	G198 E211 H212 G251 C253	G198-C209 VanDerWaalsContact CA-SG 3.51Å; C209-E211 PolarHBondContact O-N 3.18Å; C209-H212 HydrophobicContact CB-CB 4Å; C209-H212 PolarHBondContact O-N 3.34Å; C209-G251 PolarHBondContact N-O 3.04Å; C209-G251 WeakPolarHBondContact O-CA 3.19Å; C209-C253 HydrophobicContact CB-CB 4.08Å; C209-C253 WeakPolarHBondContact CB-SG 3.35Å; C209-C253 PolarHBondContact N-SG 3.34Å; C209-C253 WeakPolarHBondContact SG-CA 3.35Å; C209-C253 WeakPolarHBondContact SG-CB 3.33Å; C209-C253 CovalentContact SG-SG 2.05Å; C209-C253 PolarHBondContact SG-SG 2.02Å
210	E	81.6	Confident	84.9	Confident	170 Å²	170	53.3 Å²	53.3	79%	0.794	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.5	-29.1	-169	-66.3	-179.8	178.9	0	0	114.7
211	E	84.4	Confident	84.4	Confident	130 Å²	130	52 Å²	52	61%	0.607	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	-3.7	179.6	-60.3	-160.5	170.1	0	0	114.6	C209 R280	C209-E211 PolarHBondContact O-N 3.18Å; E211-R280 IonicContact OE2-CZ 2.75Å; E211-R280 IonicContact OE2-NE 3.71Å; E211-R280 IonicContact OE2-NH1 3.38Å; E211-R280 PolarHBondContact OE2-NH1 3.43Å; E211-R280 IonicContact OE2-NH2 2.67Å; E211-R280 PolarHBondContact OE2-NH2 2.98Å
212	H	90.6	Very high	83.7	Confident	9 Å²	9	52.4 Å²	52.4	4%	0.042	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.2	-179.3	-177	-87.3	0	0	0	112.1	C209 G251 I252 E279 R280 S282	C209-H212 HydrophobicContact CB-CB 4Å; C209-H212 PolarHBondContact O-N 3.34Å; H212-G251 PolarHBondContact O-N 2.82Å; H212-I252 WeakPolarHBondContact CB-O 3.01Å; H212-I252 PolarHBondContact ND1-O 2.96Å; H212-E279 PolarHBondContact CD2-O 2.83Å; H212-R280 WeakPolarHBondContact CA-O 3.26Å; H212-S282 PolarHBondContact CE1-OG 3.42Å; H212-S282 PolarHBondContact NE2-OG 3.09Å
213	V	91.7	Very high	83.4	Confident	29 Å²	29	47.6 Å²	47.6	18%	0.176	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.5	174.8	-177.8	0	0	0	0	109.8	L215 R248 R280 T281 S282	V213-L215 HydrophobicContact CG1-CD2 4.13Å; V213-L215 HydrophobicContact CG1-CG 4.38Å; V213-R248 HydrophobicContact CG1-CG 3.84Å; V213-R280 PolarHBondContact N-O 3.39Å; V213-T281 VanDerWaalsContact O-CA 3.26Å; V213-T281 WeakPolarHBondContact O-CA 3.33Å; V213-S282 PolarHBondContact O-N 2.96Å; V213-S282 VanDerWaalsContact O-N 3.07Å
214	L	92.9	Very high	83.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123	168.7	-176.3	67.6	0	0	0	109.4	F247 R248 V249 I252 L260 V274 L284	L214-F247 HydrophobicContact CD2-CE2 4.2Å; L214-F247 HydrophobicContact CG-CE2 4.36Å; L214-R248 WeakPolarHBondContact O-CA 3.13Å; L214-V249 HydrophobicContact CB-CB 4.42Å; L214-V249 PolarHBondContact N-O 3.02Å; L214-V249 PolarHBondContact O-N 3.12Å; L214-I252 HydrophobicContact CD2-CD1 4.09Å; L214-L260 HydrophobicContact CD2-CD1 3.29Å; L214-V274 HydrophobicContact CD1-CG1 4.31Å; L214-V274 HydrophobicContact CD2-CG2 4.1Å; L214-L284 HydrophobicContact CD1-CB 4.29Å
215	L	93.9	Very high	83.6	Confident	70 Å²	70	45.4 Å²	45.4	37%	0.366	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	145.5	168.9	-62.2	176.1	0	0	0	108.6	V213 R248 T281 S282 V283 L284	V213-L215 HydrophobicContact CG1-CD2 4.13Å; V213-L215 HydrophobicContact CG1-CG 4.38Å; L215-R248 HydrophobicContact CD2-CB 3.89Å; L215-R248 HydrophobicContact CD2-CG 3.75Å; L215-T281 HydrophobicContact CD1-CG2 3.83Å; L215-T281 HydrophobicContact CG-CG2 4.09Å; L215-S282 PolarHBondContact N-O 2.83Å; L215-V283 CarbonylContact O-C 3.5Å; L215-V283 VanDerWaalsContact O-CA 3.25Å; L215-V283 WeakPolarHBondContact O-CA 3.48Å; L215-L284 PolarHBondContact O-N 3.06Å
216	G	92.8	Very high	83.9	Confident	7 Å²	7	41.7 Å²	41.7	7%	0.072	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	169.5	171.8	0	0	0	0	0	115.3	H246 F247 L284	G216-H246 CarbonylContact O-C 3.53Å; G216-H246 VanDerWaalsContact O-CA 3.3Å; G216-H246 WeakPolarHBondContact O-CA 3.43Å; G216-F247 VanDerWaalsContact CA-CE1 3.48Å; G216-F247 PolarHBondContact N-O 3.39Å; G216-F247 PolarHBondContact O-N 2.9Å; G216-L284 CarbonylContact C-O 3.46Å; G216-L284 WeakPolarHBondContact CA-O 3.41Å
217	S	93.1	Very high	84.2	Confident	25 Å²	25	47.4 Å²	47.4	18%	0.175	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134.5	173.7	59.9	0	0	0	0	109.4	G245 H246 L284 S285 V286	S217-G245 CarbonylContact C-O 3.41Å; S217-G245 WeakPolarHBondContact CA-O 3.32Å; S217-H246 WeakPolarHBondContact CB-ND1 3.47Å; S217-L284 PolarHBondContact N-O 3.48Å; S217-S285 WeakPolarHBondContact O-CA 3.35Å; S217-S285 PolarHBondContact OG-OG 3.12Å; S217-V286 PolarHBondContact O-N 3.41Å
218	V	92.9	Very high	84.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.2	171.6	-171.4	0	0	0	0	107.7	A226 A229 I231 T241 G245 F247 V262 V286 L288	V218-A226 HydrophobicContact CB-CB 4.04Å; V218-A226 HydrophobicContact CG1-CB 3.72Å; V218-A226 WeakPolarHBondContact O-CB 3.37Å; V218-A226 PolarHBondContact O-N 3.35Å; V218-A229 HydrophobicContact CB-CB 4.4Å; V218-A229 HydrophobicContact CG1-CB 4.13Å; V218-I231 HydrophobicContact CG2-CD1 4Å; V218-T241 HydrophobicContact CB-CG2 3.92Å; V218-T241 HydrophobicContact CG2-CG2 3.56Å; V218-G245 PolarHBondContact N-O 2.74Å; V218-F247 HydrophobicContact CG2-CD1 3.83Å; V218-F247 HydrophobicContact CG2-CE1 3.81Å; V218-V262 HydrophobicContact CG1-CG1 3.9Å; V218-V262 HydrophobicContact CG2-CG1 3.96Å; V218-V286 CarbonylContact C-O 3.52Å; V218-V286 WeakPolarHBondContact CA-O 3.32Å; V218-V286 HydrophobicContact CG1-CB 4.48Å; V218-V286 HydrophobicContact CG2-CB 4.32Å; V218-L288 HydrophobicContact CG1-CD1 3.85Å; V218-L288 HydrophobicContact CG1-CG 3.94Å
219	R	87.9	Confident	84.8	Confident	117 Å²	117	44.5 Å²	44.5	44%	0.442	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142	167.3	-67.9	-170.6	179.9	-90.1	-1.1	109.5	G223 L224 V286 Q287 L288	R219-G223 WeakPolarHBondContact CD-O 3.39Å; R219-G223 PolarHBondContact NH1-O 3.49Å; R219-L224 CarbonylContact C-O 3.58Å; R219-L224 VanDerWaalsContact CA-O 3.23Å; R219-L224 WeakPolarHBondContact CA-O 3.32Å; R219-L224 WeakPolarHBondContact CB-O 3.18Å; R219-V286 PolarHBondContact N-O 3.44Å; R219-Q287 WeakPolarHBondContact O-CA 3.02Å; R219-L288 PolarHBondContact O-N 3.05Å
220	S	79.6	Confident	85.1	Confident	6 Å²	6	44.6 Å²	44.6	4%	0.042	25%	0.245	C	C	.	.			trans	-78.5	-179.5	174.2	177.8	0	0	0	0	110.2	G222 G223 L224 H267 L288	S220-G222 PolarHBondContact O-N 2.94Å; S220-G223 PolarHBondContact O-N 3.16Å; S220-L224 PolarHBondContact N-O 3.29Å; S220-H267 PolarHBondContact OG-CE1 3.41Å; S220-H267 VanDerWaalsContact OG-CE1 3.25Å; S220-H267 PolarHBondContact OG-NE2 3.1Å; S220-L288 CarbonylContact C-O 3.57Å
221	A	69.9	Low	85.8	Confident	19 Å²	19	36.5 Å²	36.5	16%	0.157	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.4	137.3	174.1	0	0	0	0	0	110.4	G223 L288 R290	A221-G223 VanDerWaalsContact C-N 3.32Å; A221-G223 PolarHBondContact O-N 2.84Å; A221-L288 WeakPolarHBondContact CA-O 3.39Å; A221-L288 PolarHBondContact N-O 3.08Å; A221-R290 HydrophobicContact CB-CB 4.25Å
222	G	65	Low	86.2	Confident	39 Å²	39	31.8 Å²	31.8	40%	0.402	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	75.1	13	-176.2	0	0	0	0	0	115.4	S220 L224	S220-G222 PolarHBondContact O-N 2.94Å; G222-L224 VanDerWaalsContact C-N 3.33Å; G222-L224 PolarHBondContact O-N 3.29Å
223	G	69.3	Low	86.1	Confident	9 Å²	9	33.4 Å²	33.4	9%	0.093	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	83	6.1	173.8	0	0	0	0	0	115.1	R219 S220 A221	R219-G223 WeakPolarHBondContact CD-O 3.39Å; R219-G223 PolarHBondContact NH1-O 3.49Å; S220-G223 PolarHBondContact O-N 3.16Å; A221-G223 VanDerWaalsContact C-N 3.32Å; A221-G223 PolarHBondContact O-N 2.84Å
224	L	73.7	Confident	85.7	Confident	29 Å²	29	37.3 Å²	37.3	15%	0.152	22%	0.22	C	C	.	.			trans	-65.5	157	178.7	-66.1	170.2	0	0	0	112.6	R219 S220 G222 A226 Y591 E717	R219-L224 CarbonylContact C-O 3.58Å; R219-L224 VanDerWaalsContact CA-O 3.23Å; R219-L224 WeakPolarHBondContact CA-O 3.32Å; R219-L224 WeakPolarHBondContact CB-O 3.18Å; S220-L224 PolarHBondContact N-O 3.29Å; G222-L224 VanDerWaalsContact C-N 3.33Å; G222-L224 PolarHBondContact O-N 3.29Å; L224-A226 PolarHBondContact O-N 2.04Å; L224-Y591 HydrophobicContact CD1-CE2 4.21Å; L224-Y591 HydrophobicContact CD2-CD1 4.23Å; L224-Y591 HydrophobicContact CD2-CD2 3.84Å; L224-Y591 HydrophobicContact CD2-CE1 4.02Å; L224-Y591 HydrophobicContact CD2-CE2 3.66Å; L224-Y591 HydrophobicContact CD2-CG 4.14Å; L224-Y591 HydrophobicContact CG-CE2 4.12Å; L224-E717 WeakPolarHBondContact CD1-OE1 3.26Å
225	I	82.3	Confident	85.2	Confident	90 Å²	90	40.3 Å²	40.3	46%	0.462	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-66.6	126.2	174.1	-63.1	171.6	0	0	0	109.2	E227 H243	I225-E227 PolarHBondContact O-N 3.23Å; I225-H243 WeakPolarHBondContact CG2-O 3.33Å
226	A	84.5	Confident	84.8	Confident	2 Å²	2	42 Å²	42	2%	0.017	26%	0.255	C	S	.	.			trans	-98.1	76.9	176.1	0	0	0	0	0	110.1	V218 L224 A229 T241 L264	V218-A226 HydrophobicContact CB-CB 4.04Å; V218-A226 HydrophobicContact CG1-CB 3.72Å; V218-A226 WeakPolarHBondContact O-CB 3.37Å; V218-A226 PolarHBondContact O-N 3.35Å; L224-A226 PolarHBondContact O-N 2.04Å; A226-A229 HydrophobicContact CB-CB 4.31Å; A226-T241 WeakPolarHBondContact O-CB 3.38Å; A226-T241 PolarHBondContact O-OG1 2.81Å; A226-L264 HydrophobicContact CB-CD2 3.88Å
227	E	85.9	Confident	84.8	Confident	130 Å²	130	46.6 Å²	46.6	61%	0.607	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	138.5	173.4	179.5	176.3	-171.2	0	0	111	I225 A229	I225-E227 PolarHBondContact O-N 3.23Å; E227-A229 VanDerWaalsContact C-N 3.28Å; E227-A229 PolarHBondContact O-N 3.46Å
228	G	89.1	Confident	84.7	Confident	38 Å²	38	48.7 Å²	48.7	39%	0.392	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	14.3	176.5	0	0	0	0	0	115.5	A230 T241	G228-A230 PolarHBondContact O-N 3.34Å; G228-T241 PolarHBondContact N-O 2.98Å; G228-T241 VanDerWaalsContact N-O 3.15Å; G228-T241 PolarHBondContact N-OG1 2.82Å
229	A	92.3	Very high	84.7	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.298	C	S	.	.			trans	-65.8	130.6	171.1	0	0	0	0	0	110.1	V218 A226 E227 L240 T241 L264	V218-A229 HydrophobicContact CB-CB 4.4Å; V218-A229 HydrophobicContact CG1-CB 4.13Å; A226-A229 HydrophobicContact CB-CB 4.31Å; E227-A229 VanDerWaalsContact C-N 3.28Å; E227-A229 PolarHBondContact O-N 3.46Å; A229-L240 CarbonylContact O-C 3.49Å; A229-L240 WeakPolarHBondContact O-CA 3.35Å; A229-T241 HydrophobicContact CB-CG2 3.98Å; A229-T241 WeakPolarHBondContact CB-OG1 2.95Å; A229-T241 PolarHBondContact N-OG1 2.89Å; A229-T241 PolarHBondContact O-N 3.32Å; A229-L264 HydrophobicContact CB-CB 4.18Å; A229-L264 HydrophobicContact CB-CD1 4.11Å
230	A	93.9	Very high	85.1	Confident	16 Å²	16	49.5 Å²	49.5	13%	0.132	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.6	-179.6	0	0	0	0	0	111.8	G228 L232 L237 L240 V262 S263	G228-A230 PolarHBondContact O-N 3.34Å; A230-L232 HydrophobicContact CB-CD1 3.95Å; A230-L237 HydrophobicContact CB-CD1 3.68Å; A230-L240 HydrophobicContact CB-CD2 3.73Å; A230-V262 WeakPolarHBondContact O-CA 3.35Å; A230-S263 PolarHBondContact N-O 2.81Å; A230-S263 PolarHBondContact O-N 2.85Å
231	I	95.4	Very high	85.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	116.3	173.6	-48.2	-60.4	0	0	0	107.7	V218 L238 T239 F247 V249 L260 V262	V218-I231 HydrophobicContact CG2-CD1 4Å; I231-L238 WeakPolarHBondContact O-CB 3.08Å; I231-L238 PolarHBondContact O-N 2.8Å; I231-T239 HydrophobicContact CB-CG2 4.05Å; I231-T239 HydrophobicContact CG1-CG2 3.95Å; I231-T239 PolarHBondContact N-O 2.73Å; I231-T239 PolarHBondContact O-N 2.79Å; I231-F247 HydrophobicContact CD1-CD1 3.9Å; I231-F247 HydrophobicContact CD1-CD2 4.45Å; I231-F247 HydrophobicContact CD1-CE1 3.96Å; I231-F247 HydrophobicContact CD1-CG 4.14Å; I231-F247 HydrophobicContact CD1-CZ 4.27Å; I231-F247 HydrophobicContact CG1-CB 4.2Å; I231-F247 HydrophobicContact CG1-CD1 4.16Å; I231-F247 HydrophobicContact CG1-CD2 4.01Å; I231-F247 HydrophobicContact CG1-CE2 4.4Å; I231-F247 HydrophobicContact CG1-CG 3.87Å; I231-F247 HydrophobicContact CG2-CE2 4.44Å; I231-V249 HydrophobicContact CG2-CG2 4.47Å; I231-L260 HydrophobicContact CG2-CB 4.46Å; I231-L260 HydrophobicContact CG2-CD1 4.2Å; I231-V262 HydrophobicContact CD1-CB 4.31Å; I231-V262 HydrophobicContact CD1-CG1 3.89Å; I231-V262 HydrophobicContact CD1-CG2 3.73Å
232	L	92.9	Very high	86.8	Confident	32 Å²	32	51.8 Å²	51.8	17%	0.168	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153.4	-175.7	-52.2	101.3	0	0	0	111.5	A230 K236 L237 L260 T261 S263	A230-L232 HydrophobicContact CB-CD1 3.95Å; L232-K236 CarbonylContact C-O 3.57Å; L232-K236 WeakPolarHBondContact CA-O 3.23Å; L232-L237 HydrophobicContact CG-CD1 4.49Å; L232-L260 CarbonylContact O-C 3.5Å; L232-L260 WeakPolarHBondContact O-CA 3.36Å; L232-T261 PolarHBondContact N-O 3.31Å; L232-T261 PolarHBondContact O-N 2.98Å; L232-S263 WeakPolarHBondContact CD1-OG 3.34Å
233	R	89.8	Confident	87.7	Confident	43 Å²	43	55.5 Å²	55.5	16%	0.162	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	122.8	167.5	179.3	-179.1	-176.3	176.1	6.5	108.4	C207 G235 K236 L238 L260	C207-R233 PolarHBondContact O-NH1 2.85Å; R233-G235 PolarHBondContact O-N 2.83Å; R233-G235 VanDerWaalsContact O-N 3.12Å; R233-K236 PolarHBondContact N-O 2.81Å; R233-K236 PolarHBondContact O-N 3.37Å; R233-L238 HydrophobicContact CB-CD1 3.78Å; R233-L238 HydrophobicContact CB-CD2 4.37Å; R233-L238 HydrophobicContact CB-CG 4.18Å; R233-L260 HydrophobicContact CB-CD2 4Å; R233-L260 HydrophobicContact CG-CD2 4.49Å
234	S	83.1	Confident	88.3	Confident	111 Å²	111	58.8 Å²	58.8	78%	0.776	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	37.5	-177.6	-50.7	0	0	0	0	112.8	K236	S234-K236 VanDerWaalsContact C-N 3.3Å; S234-K236 PolarHBondContact O-N 2.97Å
235	G	82.1	Confident	89	Confident	62 Å²	62	57.4 Å²	57.4	64%	0.639	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-7.7	-177.9	0	0	0	0	0	116.2	R233	R233-G235 PolarHBondContact O-N 2.83Å; R233-G235 VanDerWaalsContact O-N 3.12Å
236	K	86.6	Confident	89.5	Confident	105 Å²	105	57.5 Å²	57.5	46%	0.457	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.4	174.3	-68.1	-180	176.5	175.5	0	110.4	D203 D205 L232 R233 S234 L238	D203-K236 IonicContact OD2-NZ 3.77Å; D205-K236 IonicContact OD2-NZ 3.86Å; D205-K236 PolarHBondContact OD2-NZ 2.94Å; L232-K236 CarbonylContact C-O 3.57Å; L232-K236 WeakPolarHBondContact CA-O 3.23Å; R233-K236 PolarHBondContact N-O 2.81Å; R233-K236 PolarHBondContact O-N 3.37Å; S234-K236 VanDerWaalsContact C-N 3.3Å; S234-K236 PolarHBondContact O-N 2.97Å; K236-L238 PolarHBondContact O-N 2.63Å
237	L	91.3	Very high	90	Very high	104 Å²	104	57.9 Å²	57.9	55%	0.545	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125.6	175.4	-180	68.6	0	0	0	110.3	A230 L232 L240	A230-L237 HydrophobicContact CB-CD1 3.68Å; L232-L237 HydrophobicContact CG-CD1 4.49Å; L237-L240 HydrophobicContact CD1-CD2 3.96Å
238	L	90.9	Very high	90.4	Very high	70 Å²	70	59.1 Å²	59.1	37%	0.366	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-48.2	174.7	-59.3	-176.6	0	0	0	111.6	I231 R233 K236 V249 I252 L260	I231-L238 WeakPolarHBondContact O-CB 3.08Å; I231-L238 PolarHBondContact O-N 2.8Å; R233-L238 HydrophobicContact CB-CD1 3.78Å; R233-L238 HydrophobicContact CB-CD2 4.37Å; R233-L238 HydrophobicContact CB-CG 4.18Å; K236-L238 PolarHBondContact O-N 2.63Å; L238-V249 HydrophobicContact CB-CG1 4.38Å; L238-V249 HydrophobicContact CB-CG2 4.39Å; L238-V249 HydrophobicContact CD1-CG1 3.98Å; L238-I252 HydrophobicContact CD1-CD1 4.03Å; L238-L260 HydrophobicContact CD1-CD2 3.85Å
239	T	93.9	Very high	90.5	Very high	42 Å²	42	57.8 Å²	57.8	26%	0.258	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	169.5	-179.5	-163.2	0	0	0	0	111.6	I231 F247 V249	I231-T239 HydrophobicContact CB-CG2 4.05Å; I231-T239 HydrophobicContact CG1-CG2 3.95Å; I231-T239 PolarHBondContact N-O 2.73Å; I231-T239 PolarHBondContact O-N 2.79Å; T239-F247 HydrophobicContact CG2-CB 3.9Å; T239-F247 HydrophobicContact CG2-CD2 4.35Å; T239-V249 HydrophobicContact CG2-CG2 3.66Å
240	L	95.1	Very high	90.4	Very high	92 Å²	92	61.6 Å²	61.6	48%	0.482	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	151	171	-60.8	178.3	0	0	0	109.3	A229 A230 L237	A229-L240 CarbonylContact O-C 3.49Å; A229-L240 WeakPolarHBondContact O-CA 3.35Å; A230-L240 HydrophobicContact CB-CD2 3.73Å; L237-L240 HydrophobicContact CD1-CD2 3.96Å
241	T	94.3	Very high	90.1	Very high	8 Å²	8	61.2 Å²	61.2	5%	0.049	33%	0.33	C	S	.	.			trans	-70.9	147	171	52.8	0	0	0	0	112	V218 A226 G228 A229 G245 H246 F247	V218-T241 HydrophobicContact CB-CG2 3.92Å; V218-T241 HydrophobicContact CG2-CG2 3.56Å; A226-T241 WeakPolarHBondContact O-CB 3.38Å; A226-T241 PolarHBondContact O-OG1 2.81Å; G228-T241 PolarHBondContact N-O 2.98Å; G228-T241 VanDerWaalsContact N-O 3.15Å; G228-T241 PolarHBondContact N-OG1 2.82Å; A229-T241 HydrophobicContact CB-CG2 3.98Å; A229-T241 WeakPolarHBondContact CB-OG1 2.95Å; A229-T241 PolarHBondContact N-OG1 2.89Å; A229-T241 PolarHBondContact O-N 3.32Å; T241-G245 WeakPolarHBondContact CG2-O 3Å; T241-H246 CarbonylContact C-O 3.49Å; T241-H246 VanDerWaalsContact CA-O 3.26Å; T241-H246 WeakPolarHBondContact CA-O 3.46Å; T241-F247 HydrophobicContact CG2-CB 4.09Å; T241-F247 HydrophobicContact CG2-CD1 4.08Å
242	D	91.1	Very high	89.8	Confident	65 Å²	65	61.4 Å²	61.4	35%	0.348	33%	0.331	S	S	.	.			trans	-77.1	-179	175.1	70.2	14.3	0	0	0	112.9	N244 G245 H246	D242-N244 PolarHBondContact O-N 3.08Å; D242-N244 WeakPolarHBondContact OD1-CA 3.41Å; D242-N244 PolarHBondContact OD1-N 3.05Å; D242-G245 PolarHBondContact O-N 3.23Å; D242-G245 PolarHBondContact OD1-N 3.48Å; D242-G245 VanDerWaalsContact OD1-N 3.07Å; D242-H246 PolarHBondContact N-O 2.61Å; D242-H246 PolarHBondContact OD1-N 3.09Å
243	H	84.1	Confident	89.5	Confident	117 Å²	117	59.9 Å²	59.9	54%	0.542	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-15.9	174.6	67.7	-44.8	0	0	0	116	I225	I225-H243 WeakPolarHBondContact CG2-O 3.33Å
244	N	83.2	Confident	89.3	Confident	79 Å²	79	58.2 Å²	58.2	42%	0.422	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	5.3	176	-66.5	-31	0	0	0	112	D242 H246	D242-N244 PolarHBondContact O-N 3.08Å; D242-N244 WeakPolarHBondContact OD1-CA 3.41Å; D242-N244 PolarHBondContact OD1-N 3.05Å; N244-H246 VanDerWaalsContact C-N 3.31Å
245	G	86.8	Confident	89.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	S	Bend	trans	78	13.5	-178.7	0	0	0	0	0	113.3	S217 V218 T241 D242	S217-G245 CarbonylContact C-O 3.41Å; S217-G245 WeakPolarHBondContact CA-O 3.32Å; V218-G245 PolarHBondContact N-O 2.74Å; T241-G245 WeakPolarHBondContact CG2-O 3Å; D242-G245 PolarHBondContact O-N 3.23Å; D242-G245 PolarHBondContact OD1-N 3.48Å; D242-G245 VanDerWaalsContact OD1-N 3.07Å
246	H	92.9	Very high	89.3	Confident	92 Å²	92	53.9 Å²	53.9	43%	0.426	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	148.4	-179.5	-65	-46.5	0	0	0	112.3	G216 S217 T241 D242 N244	G216-H246 CarbonylContact O-C 3.53Å; G216-H246 VanDerWaalsContact O-CA 3.3Å; G216-H246 WeakPolarHBondContact O-CA 3.43Å; S217-H246 WeakPolarHBondContact CB-ND1 3.47Å; T241-H246 CarbonylContact C-O 3.49Å; T241-H246 VanDerWaalsContact CA-O 3.26Å; T241-H246 WeakPolarHBondContact CA-O 3.46Å; D242-H246 PolarHBondContact N-O 2.61Å; D242-H246 PolarHBondContact OD1-N 3.09Å; N244-H246 VanDerWaalsContact C-N 3.31Å
247	F	94.9	Very high	89.1	Confident	10 Å²	10	55.1 Å²	55.1	4%	0.044	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	156.6	174.8	70.5	-92	0	0	0	112	L214 G216 V218 I231 T239 T241 V249 L284	L214-F247 HydrophobicContact CD2-CE2 4.2Å; L214-F247 HydrophobicContact CG-CE2 4.36Å; G216-F247 VanDerWaalsContact CA-CE1 3.48Å; G216-F247 PolarHBondContact N-O 3.39Å; G216-F247 PolarHBondContact O-N 2.9Å; V218-F247 HydrophobicContact CG2-CD1 3.83Å; V218-F247 HydrophobicContact CG2-CE1 3.81Å; I231-F247 HydrophobicContact CD1-CD1 3.9Å; I231-F247 HydrophobicContact CD1-CD2 4.45Å; I231-F247 HydrophobicContact CD1-CE1 3.96Å; I231-F247 HydrophobicContact CD1-CG 4.14Å; I231-F247 HydrophobicContact CD1-CZ 4.27Å; I231-F247 HydrophobicContact CG1-CB 4.2Å; I231-F247 HydrophobicContact CG1-CD1 4.16Å; I231-F247 HydrophobicContact CG1-CD2 4.01Å; I231-F247 HydrophobicContact CG1-CE2 4.4Å; I231-F247 HydrophobicContact CG1-CG 3.87Å; I231-F247 HydrophobicContact CG2-CE2 4.44Å; T239-F247 HydrophobicContact CG2-CB 3.9Å; T239-F247 HydrophobicContact CG2-CD2 4.35Å; T241-F247 HydrophobicContact CG2-CB 4.09Å; T241-F247 HydrophobicContact CG2-CD1 4.08Å; F247-V249 HydrophobicContact CD2-CG2 4.03Å; F247-V249 HydrophobicContact CE2-CG2 4.38Å; F247-L284 HydrophobicContact CZ-CB 4.34Å; F247-L284 HydrophobicContact CZ-CD2 4.14Å
248	R	93.8	Very high	88.9	Confident	156 Å²	156	50.4 Å²	50.4	59%	0.589	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	124.5	177.5	176	173.7	178.6	-113.7	-1	110	V213 L214 L215	V213-R248 HydrophobicContact CG1-CG 3.84Å; L214-R248 WeakPolarHBondContact O-CA 3.13Å; L215-R248 HydrophobicContact CD2-CB 3.89Å; L215-R248 HydrophobicContact CD2-CG 3.75Å
249	V	92.5	Very high	88.9	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	109.1	176	-172.9	0	0	0	0	110.2	L214 I231 L238 T239 F247 I252	L214-V249 HydrophobicContact CB-CB 4.42Å; L214-V249 PolarHBondContact N-O 3.02Å; L214-V249 PolarHBondContact O-N 3.12Å; I231-V249 HydrophobicContact CG2-CG2 4.47Å; L238-V249 HydrophobicContact CB-CG1 4.38Å; L238-V249 HydrophobicContact CB-CG2 4.39Å; L238-V249 HydrophobicContact CD1-CG1 3.98Å; T239-V249 HydrophobicContact CG2-CG2 3.66Å; F247-V249 HydrophobicContact CD2-CG2 4.03Å; F247-V249 HydrophobicContact CE2-CG2 4.38Å; V249-I252 HydrophobicContact CB-CD1 3.93Å; V249-I252 HydrophobicContact CG1-CD1 3.4Å; V249-I252 HydrophobicContact CG1-CG1 3.8Å
250	P	90.5	Very high	88.8	Confident	80 Å²	80	48.4 Å²	48.4	52%	0.519	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	153.8	173.9	32.9	-33	0	0	0	111.5	I252	P250-I252 PolarHBondContact O-N 2.9Å
251	G	87.3	Confident	88.7	Confident	8 Å²	8	45.7 Å²	45.7	8%	0.082	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.2	7.3	167.7	0	0	0	0	0	115.5	M208 C209 H212	M208-G251 CarbonylContact C-O 3.58Å; M208-G251 WeakPolarHBondContact CA-O 3.44Å; C209-G251 PolarHBondContact N-O 3.04Å; C209-G251 WeakPolarHBondContact O-CA 3.19Å; H212-G251 PolarHBondContact O-N 2.82Å
252	I	88.9	Confident	88.7	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	139.4	174.2	-84.3	179.2	0	0	0	109.7	H212 L214 L238 V249 P250 T258 L260 V274	H212-I252 WeakPolarHBondContact CB-O 3.01Å; H212-I252 PolarHBondContact ND1-O 2.96Å; L214-I252 HydrophobicContact CD2-CD1 4.09Å; L238-I252 HydrophobicContact CD1-CD1 4.03Å; V249-I252 HydrophobicContact CB-CD1 3.93Å; V249-I252 HydrophobicContact CG1-CD1 3.4Å; V249-I252 HydrophobicContact CG1-CG1 3.8Å; P250-I252 PolarHBondContact O-N 2.9Å; I252-T258 HydrophobicContact CG2-CG2 4.43Å; I252-L260 HydrophobicContact CD1-CD1 3.94Å; I252-L260 HydrophobicContact CD1-CD2 3.8Å; I252-L260 HydrophobicContact CD1-CG 4.4Å; I252-V274 HydrophobicContact CG2-CB 4.41Å; I252-V274 HydrophobicContact CG2-CG1 3.93Å; I252-V274 HydrophobicContact CG2-CG2 3.89Å
253	C	87	Confident	88.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.			trans	-85.1	128.5	173.8	-70.1	0	0	0	0	111.3	I197 C209 D255	I197-C253 PolarHBondContact O-SG 3.4Å; C209-C253 HydrophobicContact CB-CB 4.08Å; C209-C253 WeakPolarHBondContact CB-SG 3.35Å; C209-C253 PolarHBondContact N-SG 3.34Å; C209-C253 WeakPolarHBondContact SG-CA 3.35Å; C209-C253 WeakPolarHBondContact SG-CB 3.33Å; C209-C253 CovalentContact SG-SG 2.05Å; C209-C253 PolarHBondContact SG-SG 2.02Å; C253-D255 PolarHBondContact O-N 2.84Å
254	P	86	Confident	88.9	Confident	9 Å²	9	40 Å²	40	6%	0.058	22%	0.22	C	C	.	.			trans	-81.4	62.3	174.5	35.4	-36.7	0	0	0	110.2	V274 P275 L276 T277	P254-V274 HydrophobicContact CB-CG1 4.47Å; P254-P275 WeakPolarHBondContact CB-O 3.49Å; P254-L276 WeakPolarHBondContact O-CA 3.42Å; P254-L276 VanDerWaalsContact O-CD1 3.3Å; P254-L276 WeakPolarHBondContact O-CD1 3.04Å; P254-T277 HydrophobicContact CB-CG2 3.67Å; P254-T277 HydrophobicContact CG-CG2 4.19Å; P254-T277 WeakPolarHBondContact CG-O 3.47Å; P254-T277 PolarHBondContact O-N 3.42Å
255	D	82.6	Confident	88.9	Confident	48 Å²	48	44.3 Å²	44.3	26%	0.257	24%	0.242	S	C	.	.			trans	-90.4	-3.8	-174.1	62.7	-8.7	0	0	0	113.9	I197 C253 N257 T258	I197-D255 HydrophobicContact CD1-CB 4.38Å; C253-D255 PolarHBondContact O-N 2.84Å; D255-N257 PolarHBondContact O-N 3.46Å; D255-N257 PolarHBondContact OD1-N 3.26Å; D255-N257 VanDerWaalsContact OD1-N 3.07Å; D255-T258 VanDerWaalsContact CG-OG1 3.31Å; D255-T258 VanDerWaalsContact OD1-CB 3.28Å; D255-T258 WeakPolarHBondContact OD1-CB 3.24Å; D255-T258 PolarHBondContact OD1-N 2.84Å; D255-T258 PolarHBondContact OD1-OG1 2.03Å; D255-T258 PolarHBondContact OD2-OG1 2.83Å
256	G	81.8	Confident	88.4	Confident	33 Å²	33	46.4 Å²	46.4	34%	0.34	26%	0.264	S	S	.	.	S	Bend	trans	70.8	7.7	-175.3	0	0	0	0	0	114.1	V273 V274	G256-V273 VanDerWaalsContact O-CG1 3.23Å; G256-V273 WeakPolarHBondContact O-CG1 3.47Å; G256-V274 WeakPolarHBondContact CA-O 3.4Å
257	N	82.6	Confident	88.1	Confident	131 Å²	131	43.2 Å²	43.2	70%	0.701	25%	0.249	S	C	*	.			trans	-128.5	-17.8	-178.5	-163.3	24.2	0	0	0	112.4	D255 T259	D255-N257 PolarHBondContact O-N 3.46Å; D255-N257 PolarHBondContact OD1-N 3.26Å; D255-N257 VanDerWaalsContact OD1-N 3.07Å; N257-T259 PolarHBondContact O-N 3.48Å
258	T	86.4	Confident	87.6	Confident	6 Å²	6	43.2 Å²	43.2	4%	0.037	25%	0.251	C	S	.	.			trans	-68.8	114.8	174.3	-62.4	0	0	0	0	109.9	I252 D255 V274	I252-T258 HydrophobicContact CG2-CG2 4.43Å; D255-T258 VanDerWaalsContact CG-OG1 3.31Å; D255-T258 VanDerWaalsContact OD1-CB 3.28Å; D255-T258 WeakPolarHBondContact OD1-CB 3.24Å; D255-T258 PolarHBondContact OD1-N 2.84Å; D255-T258 PolarHBondContact OD1-OG1 2.03Å; D255-T258 PolarHBondContact OD2-OG1 2.83Å; T258-V274 HydrophobicContact CG2-CG2 4.1Å; T258-V274 WeakPolarHBondContact O-CG2 3.45Å; T258-V274 PolarHBondContact O-N 2.95Å
259	T	90.8	Very high	87.4	Confident	69 Å²	69	39.5 Å²	39.5	42%	0.423	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.6	174.9	52.2	0	0	0	0	111	N257 V273	N257-T259 PolarHBondContact O-N 3.48Å; T259-V273 HydrophobicContact CG2-CG2 4.01Å
260	L	92.4	Very high	87.3	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.8	170.7	-61.1	179.5	0	0	0	109.7	L214 I231 L232 R233 L238 I252 D271 V272 V274	L214-L260 HydrophobicContact CD2-CD1 3.29Å; I231-L260 HydrophobicContact CG2-CB 4.46Å; I231-L260 HydrophobicContact CG2-CD1 4.2Å; L232-L260 CarbonylContact O-C 3.5Å; L232-L260 WeakPolarHBondContact O-CA 3.36Å; R233-L260 HydrophobicContact CB-CD2 4Å; R233-L260 HydrophobicContact CG-CD2 4.49Å; L238-L260 HydrophobicContact CD1-CD2 3.85Å; I252-L260 HydrophobicContact CD1-CD1 3.94Å; I252-L260 HydrophobicContact CD1-CD2 3.8Å; I252-L260 HydrophobicContact CD1-CG 4.4Å; L260-D271 CarbonylContact O-C 3.51Å; L260-D271 WeakPolarHBondContact O-CA 3.28Å; L260-V272 PolarHBondContact N-O 2.77Å; L260-V272 PolarHBondContact O-N 3.15Å; L260-V274 HydrophobicContact CD1-CG2 3.87Å; L260-V274 HydrophobicContact CG-CG2 3.96Å
261	T	93.5	Very high	87.3	Confident	35 Å²	35	43.6 Å²	43.6	22%	0.215	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122.8	173.2	-53.2	0	0	0	0	108.5	L232 D271	L232-T261 PolarHBondContact N-O 3.31Å; L232-T261 PolarHBondContact O-N 2.98Å; T261-D271 WeakPolarHBondContact CA-OD1 3.43Å; T261-D271 VanDerWaalsContact CB-OD1 3.24Å; T261-D271 WeakPolarHBondContact CB-OD1 3.45Å; T261-D271 VanDerWaalsContact CG2-OD1 3.31Å; T261-D271 WeakPolarHBondContact CG2-OD1 3.37Å; T261-D271 PolarHBondContact OG1-OD1 3.1Å
262	V	93.6	Very high	87.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.5	173.5	-175.5	0	0	0	0	108.5	V218 A230 I231 T269 L270 V286 L288	V218-V262 HydrophobicContact CG1-CG1 3.9Å; V218-V262 HydrophobicContact CG2-CG1 3.96Å; A230-V262 WeakPolarHBondContact O-CA 3.35Å; I231-V262 HydrophobicContact CD1-CB 4.31Å; I231-V262 HydrophobicContact CD1-CG1 3.89Å; I231-V262 HydrophobicContact CD1-CG2 3.73Å; V262-T269 WeakPolarHBondContact O-CA 3.27Å; V262-L270 PolarHBondContact N-O 2.73Å; V262-L270 PolarHBondContact O-N 2.8Å; V262-V286 HydrophobicContact CB-CG1 4.19Å; V262-V286 HydrophobicContact CG1-CG1 4.25Å; V262-V286 HydrophobicContact CG2-CG1 4.07Å; V262-V286 HydrophobicContact CG2-CG2 4.27Å; V262-L288 HydrophobicContact CB-CD2 4.21Å; V262-L288 HydrophobicContact CG1-CD1 4.13Å; V262-L288 HydrophobicContact CG1-CD2 3.97Å; V262-L288 HydrophobicContact CG1-CG 4.33Å
263	S	90.5	Very high	87.6	Confident	34 Å²	34	47.9 Å²	47.9	24%	0.238	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	135	-179.4	70.1	0	0	0	0	111.7	A230 L232	A230-S263 PolarHBondContact N-O 2.81Å; A230-S263 PolarHBondContact O-N 2.85Å; L232-S263 WeakPolarHBondContact CD1-OG 3.34Å
264	L	88.6	Confident	87.8	Confident	37 Å²	37	47.9 Å²	47.9	19%	0.194	29%	0.287	C	S	.	.			trans	-137	143	172.5	-179.7	67.6	0	0	0	108.2	A226 A229 G266 H267 L288	A226-L264 HydrophobicContact CB-CD2 3.88Å; A229-L264 HydrophobicContact CB-CB 4.18Å; A229-L264 HydrophobicContact CB-CD1 4.11Å; L264-G266 PolarHBondContact O-N 3.33Å; L264-H267 HydrophobicContact CB-CB 4.2Å; L264-H267 WeakPolarHBondContact O-CB 3.15Å; L264-H267 PolarHBondContact O-N 3.29Å; L264-H267 VanDerWaalsContact O-N 3.08Å; L264-L288 HydrophobicContact CB-CD1 3.51Å; L264-L288 HydrophobicContact CD2-CD1 4.27Å
265	L	82.5	Confident	87.8	Confident	168 Å²	168	50 Å²	50	88%	0.88	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	137	178.4	-170.8	69	0	0	0	110.6	H267	L265-H267 PolarHBondContact O-N 3.49Å; L265-H267 PolarHBondContact O-ND1 3.13Å
266	G	77.4	Confident	88.1	Confident	45 Å²	45	53.7 Å²	53.7	46%	0.464	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	4.2	-177.8	0	0	0	0	0	115.3	L264 R290 A291	L264-G266 PolarHBondContact O-N 3.33Å; G266-R290 WeakPolarHBondContact O-CG 3.43Å; G266-A291 PolarHBondContact O-N 3.42Å
267	H	85.4	Confident	88.3	Confident	25 Å²	25	53.9 Å²	53.9	12%	0.116	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-120.4	151.8	-179.4	-66.1	75.7	0	0	0	111.7	S220 L264 L265 T269 L288 K289	S220-H267 PolarHBondContact OG-CE1 3.41Å; S220-H267 VanDerWaalsContact OG-CE1 3.25Å; S220-H267 PolarHBondContact OG-NE2 3.1Å; L264-H267 HydrophobicContact CB-CB 4.2Å; L264-H267 WeakPolarHBondContact O-CB 3.15Å; L264-H267 PolarHBondContact O-N 3.29Å; L264-H267 VanDerWaalsContact O-N 3.08Å; L265-H267 PolarHBondContact O-N 3.49Å; L265-H267 PolarHBondContact O-ND1 3.13Å; H267-T269 PolarHBondContact O-N 2.75Å; H267-L288 HydrophobicContact CB-CB 4.13Å; H267-L288 HydrophobicContact CB-CD1 4.23Å; H267-K289 CarbonylContact C-O 3.51Å; H267-K289 WeakPolarHBondContact CA-O 3.25Å; H267-K289 WeakPolarHBondContact CB-O 3Å
268	A	86.2	Confident	88.3	Confident	10 Å²	10	54.8 Å²	54.8	8%	0.083	33%	0.325	C	S	.	.			trans	-69.6	129.5	173.4	0	0	0	0	0	109.4	L270 K289 T320 P321	A268-L270 PolarHBondContact O-N 3.4Å; A268-K289 PolarHBondContact N-O 3.26Å; A268-T320 HydrophobicContact CB-CG2 3.75Å; A268-P321 HydrophobicContact CB-CG 4.13Å
269	T	88.7	Confident	88.3	Confident	78 Å²	78	60.9 Å²	60.9	48%	0.479	35%	0.353	S	S	.	.			trans	-61.4	133.7	174.1	52.3	0	0	0	0	109.5	V262 H267	V262-T269 WeakPolarHBondContact O-CA 3.27Å; H267-T269 PolarHBondContact O-N 2.75Å
270	L	89.9	Confident	88	Confident	70 Å²	70	65.5 Å²	65.5	37%	0.366	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123	-178.6	-177.7	61	0	0	0	110	V262 A268 V272 V286 L288	V262-L270 PolarHBondContact N-O 2.73Å; V262-L270 PolarHBondContact O-N 2.8Å; A268-L270 PolarHBondContact O-N 3.4Å; L270-V272 HydrophobicContact CD2-CG2 4.15Å; L270-V272 HydrophobicContact CG-CG2 3.9Å; L270-V286 HydrophobicContact CD2-CG1 3.77Å; L270-L288 HydrophobicContact CB-CD2 3.74Å
271	D	90.6	Very high	87.9	Confident	105 Å²	105	68.3 Å²	68.3	56%	0.561	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.9	171.5	-65.9	-33.3	0	0	0	109.7	L260 T261	L260-D271 CarbonylContact O-C 3.51Å; L260-D271 WeakPolarHBondContact O-CA 3.28Å; T261-D271 WeakPolarHBondContact CA-OD1 3.43Å; T261-D271 VanDerWaalsContact CB-OD1 3.24Å; T261-D271 WeakPolarHBondContact CB-OD1 3.45Å; T261-D271 VanDerWaalsContact CG2-OD1 3.31Å; T261-D271 WeakPolarHBondContact CG2-OD1 3.37Å; T261-D271 PolarHBondContact OG1-OD1 3.1Å
272	V	91.7	Very high	87.7	Confident	26 Å²	26	66.9 Å²	66.9	16%	0.158	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130	-177.4	-167.3	0	0	0	0	109.5	L260 L270 L284 V286	L260-V272 PolarHBondContact N-O 2.77Å; L260-V272 PolarHBondContact O-N 3.15Å; L270-V272 HydrophobicContact CD2-CG2 4.15Å; L270-V272 HydrophobicContact CG-CG2 3.9Å; V272-L284 HydrophobicContact CB-CD2 4.05Å; V272-L284 HydrophobicContact CG1-CD1 3.53Å; V272-L284 HydrophobicContact CG1-CD2 3.7Å; V272-L284 HydrophobicContact CG1-CG 3.99Å; V272-V286 HydrophobicContact CG2-CG1 4.06Å; V272-V286 HydrophobicContact CG2-CG2 4.06Å
273	V	92	Very high	87.6	Confident	76 Å²	76	72 Å²	72	46%	0.461	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.6	177.9	-177.9	0	0	0	0	109.3	G256 T259	G256-V273 VanDerWaalsContact O-CG1 3.23Å; G256-V273 WeakPolarHBondContact O-CG1 3.47Å; T259-V273 HydrophobicContact CG2-CG2 4.01Å
274	V	89.7	Confident	87.6	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-67.4	125.5	173.3	-179.8	0	0	0	0	108.5	L214 I252 P254 G256 T258 L260	L214-V274 HydrophobicContact CD1-CG1 4.31Å; L214-V274 HydrophobicContact CD2-CG2 4.1Å; I252-V274 HydrophobicContact CG2-CB 4.41Å; I252-V274 HydrophobicContact CG2-CG1 3.93Å; I252-V274 HydrophobicContact CG2-CG2 3.89Å; P254-V274 HydrophobicContact CB-CG1 4.47Å; G256-V274 WeakPolarHBondContact CA-O 3.4Å; T258-V274 HydrophobicContact CG2-CG2 4.1Å; T258-V274 WeakPolarHBondContact O-CG2 3.45Å; T258-V274 PolarHBondContact O-N 2.95Å; L260-V274 HydrophobicContact CD1-CG2 3.87Å; L260-V274 HydrophobicContact CG-CG2 3.96Å
275	P	87.9	Confident	87.7	Confident	53 Å²	53	73.7 Å²	73.7	34%	0.344	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-64.3	138.4	-175.4	25.2	-33.6	0	0	0	111.6	P254 T277	P254-P275 WeakPolarHBondContact CB-O 3.49Å; P275-T277 PolarHBondContact O-N 2.86Å
276	L	88.1	Confident	88.2	Confident	126 Å²	126	65.9 Å²	65.9	66%	0.66	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-64.9	119.3	172.3	178.1	65.9	0	0	0	109.4	I197 P254	I197-L276 HydrophobicContact CD1-CD1 4.46Å; P254-L276 WeakPolarHBondContact O-CA 3.42Å; P254-L276 VanDerWaalsContact O-CD1 3.3Å; P254-L276 WeakPolarHBondContact O-CD1 3.04Å
277	T	85.6	Confident	88.7	Confident	37 Å²	37	69.7 Å²	69.7	23%	0.227	38%	0.381	C	S	.	.			trans	-150.9	156.7	175.9	-176.1	0	0	0	0	111.3	P254 P275 E279 S282	P254-T277 HydrophobicContact CB-CG2 3.67Å; P254-T277 HydrophobicContact CG-CG2 4.19Å; P254-T277 WeakPolarHBondContact CG-O 3.47Å; P254-T277 PolarHBondContact O-N 3.42Å; P275-T277 PolarHBondContact O-N 2.86Å; T277-E279 HydrophobicContact CG2-CB 4.49Å; T277-E279 WeakPolarHBondContact OG1-CB 3.37Å; T277-E279 PolarHBondContact OG1-N 2.75Å; T277-E279 VanDerWaalsContact OG1-N 3.08Å; T277-S282 WeakPolarHBondContact CG2-OG 3.06Å
278	T	82	Confident	88.8	Confident	149 Å²	149	68.5 Å²	68.5	91%	0.914	38%	0.376	S	S	*	.	S	Bend	trans	-97	-5.6	171.3	55.5	0	0	0	0	112.2
279	E	86.3	Confident	88.7	Confident	135 Å²	135	75.6 Å²	75.6	63%	0.631	40%	0.404	S	S	*	.	S	Bend	trans	-73.3	152	177.7	-64.6	-178.3	-177.8	0	0	111.5	H212 T277 T281	H212-E279 PolarHBondContact CD2-O 2.83Å; T277-E279 HydrophobicContact CG2-CB 4.49Å; T277-E279 WeakPolarHBondContact OG1-CB 3.37Å; T277-E279 PolarHBondContact OG1-N 2.75Å; T277-E279 VanDerWaalsContact OG1-N 3.08Å; E279-T281 PolarHBondContact O-N 3.4Å
280	R	86.4	Confident	88.3	Confident	166 Å²	166	75 Å²	75	63%	0.626	39%	0.393	S	S	*	.	S	Bend	trans	-71	-7.5	177.7	-65.7	-178.3	178	-135.9	-13.9	113.3	E211 H212 V213	E211-R280 IonicContact OE2-CZ 2.75Å; E211-R280 IonicContact OE2-NE 3.71Å; E211-R280 IonicContact OE2-NH1 3.38Å; E211-R280 PolarHBondContact OE2-NH1 3.43Å; E211-R280 IonicContact OE2-NH2 2.67Å; E211-R280 PolarHBondContact OE2-NH2 2.98Å; H212-R280 WeakPolarHBondContact CA-O 3.26Å; V213-R280 PolarHBondContact N-O 3.39Å
281	T	88.7	Confident	88	Confident	59 Å²	59	73.1 Å²	73.1	36%	0.362	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.6	-178.1	-53.8	0	0	0	0	110	V213 L215 E279	V213-T281 VanDerWaalsContact O-CA 3.26Å; V213-T281 WeakPolarHBondContact O-CA 3.33Å; L215-T281 HydrophobicContact CD1-CG2 3.83Å; L215-T281 HydrophobicContact CG-CG2 4.09Å; E279-T281 PolarHBondContact O-N 3.4Å
282	S	90.4	Very high	87.7	Confident	5 Å²	5	72.6 Å²	72.6	4%	0.035	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.9	170.4	-63.8	0	0	0	0	109.4	H212 V213 L215 T277	H212-S282 PolarHBondContact CE1-OG 3.42Å; H212-S282 PolarHBondContact NE2-OG 3.09Å; V213-S282 PolarHBondContact O-N 2.96Å; V213-S282 VanDerWaalsContact O-N 3.07Å; L215-S282 PolarHBondContact N-O 2.83Å; T277-S282 WeakPolarHBondContact CG2-OG 3.06Å
283	V	90.6	Very high	87.5	Confident	109 Å²	109	74.7 Å²	74.7	66%	0.661	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.1	175.9	-176.1	0	0	0	0	109.5	L215	L215-V283 CarbonylContact O-C 3.5Å; L215-V283 VanDerWaalsContact O-CA 3.25Å; L215-V283 WeakPolarHBondContact O-CA 3.48Å
284	L	91.4	Very high	87.4	Confident	15 Å²	15	71.2 Å²	71.2	8%	0.079	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.6	176.5	-162.3	75.9	0	0	0	110.5	L214 L215 G216 S217 F247 V272 V286	L214-L284 HydrophobicContact CD1-CB 4.29Å; L215-L284 PolarHBondContact O-N 3.06Å; G216-L284 CarbonylContact C-O 3.46Å; G216-L284 WeakPolarHBondContact CA-O 3.41Å; S217-L284 PolarHBondContact N-O 3.48Å; F247-L284 HydrophobicContact CZ-CB 4.34Å; F247-L284 HydrophobicContact CZ-CD2 4.14Å; V272-L284 HydrophobicContact CB-CD2 4.05Å; V272-L284 HydrophobicContact CG1-CD1 3.53Å; V272-L284 HydrophobicContact CG1-CD2 3.7Å; V272-L284 HydrophobicContact CG1-CG 3.99Å; L284-V286 HydrophobicContact CD2-CG2 3.52Å; L284-V286 HydrophobicContact CG-CG2 3.82Å
285	S	90.9	Very high	87.3	Confident	91 Å²	91	73.1 Å²	73.1	64%	0.636	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.2	168.6	-165.1	0	0	0	0	109	S217	S217-S285 WeakPolarHBondContact O-CA 3.35Å; S217-S285 PolarHBondContact OG-OG 3.12Å
286	V	91.2	Very high	87.3	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.018	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.7	-173.3	-174.5	0	0	0	0	108.5	S217 V218 R219 V262 L270 V272 L284 L288	S217-V286 PolarHBondContact O-N 3.41Å; V218-V286 CarbonylContact C-O 3.52Å; V218-V286 WeakPolarHBondContact CA-O 3.32Å; V218-V286 HydrophobicContact CG1-CB 4.48Å; V218-V286 HydrophobicContact CG2-CB 4.32Å; R219-V286 PolarHBondContact N-O 3.44Å; V262-V286 HydrophobicContact CB-CG1 4.19Å; V262-V286 HydrophobicContact CG1-CG1 4.25Å; V262-V286 HydrophobicContact CG2-CG1 4.07Å; V262-V286 HydrophobicContact CG2-CG2 4.27Å; L270-V286 HydrophobicContact CD2-CG1 3.77Å; V272-V286 HydrophobicContact CG2-CG1 4.06Å; V272-V286 HydrophobicContact CG2-CG2 4.06Å; L284-V286 HydrophobicContact CD2-CG2 3.52Å; L284-V286 HydrophobicContact CG-CG2 3.82Å; V286-L288 HydrophobicContact CG1-CD2 4.28Å
287	Q	89.4	Confident	87.2	Confident	125 Å²	125	71.4 Å²	71.4	58%	0.584	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	110.9	173.7	-170.8	171.7	2.5	0	0	109.3	R219	R219-Q287 WeakPolarHBondContact O-CA 3.02Å
288	L	87.4	Confident	87.2	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.005	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-79.1	139.4	177.9	-64.5	178.6	0	0	0	110.5	V218 R219 S220 A221 V262 L264 H267 L270 V286	V218-L288 HydrophobicContact CG1-CD1 3.85Å; V218-L288 HydrophobicContact CG1-CG 3.94Å; R219-L288 PolarHBondContact O-N 3.05Å; S220-L288 CarbonylContact C-O 3.57Å; A221-L288 WeakPolarHBondContact CA-O 3.39Å; A221-L288 PolarHBondContact N-O 3.08Å; V262-L288 HydrophobicContact CB-CD2 4.21Å; V262-L288 HydrophobicContact CG1-CD1 4.13Å; V262-L288 HydrophobicContact CG1-CD2 3.97Å; V262-L288 HydrophobicContact CG1-CG 4.33Å; L264-L288 HydrophobicContact CB-CD1 3.51Å; L264-L288 HydrophobicContact CD2-CD1 4.27Å; H267-L288 HydrophobicContact CB-CB 4.13Å; H267-L288 HydrophobicContact CB-CD1 4.23Å; L270-L288 HydrophobicContact CB-CD2 3.74Å; V286-L288 HydrophobicContact CG1-CD2 4.28Å
289	K	84.3	Confident	87.6	Confident	158 Å²	158	65.5 Å²	65.5	69%	0.687	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-91.4	150.3	168.5	-64.9	-173.8	-179.9	-177.5	0	109.4	H267 A268	H267-K289 CarbonylContact C-O 3.51Å; H267-K289 WeakPolarHBondContact CA-O 3.25Å; H267-K289 WeakPolarHBondContact CB-O 3Å; A268-K289 PolarHBondContact N-O 3.26Å
290	R	79.5	Confident	87.9	Confident	65 Å²	65	59.6 Å²	59.6	25%	0.245	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-63.2	145.9	173.7	-164.8	176.3	-176.3	174	3.3	109.5	A221 G266 E292 E693 E720	A221-R290 HydrophobicContact CB-CB 4.25Å; G266-R290 WeakPolarHBondContact O-CG 3.43Å; R290-E292 PolarHBondContact O-N 3.42Å; R290-E693 IonicContact CZ-OE1 2.76Å; R290-E693 IonicContact CZ-OE2 3.17Å; R290-E693 IonicContact NH1-OE1 3.44Å; R290-E693 PolarHBondContact NH1-OE1 3.36Å; R290-E693 IonicContact NH2-OE1 3.71Å; R290-E693 PolarHBondContact NH2-OE1 2.86Å; R290-E693 IonicContact NH2-OE2 2.76Å; R290-E693 PolarHBondContact NH2-OE2 3.07Å; R290-E720 IonicContact NH1-OE1 2.95Å
291	A	84.4	Confident	88	Confident	31 Å²	31	54.5 Å²	54.5	26%	0.256	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-72.3	126.7	171.8	0	0	0	0	0	109.3	G266 T320	G266-A291 PolarHBondContact O-N 3.42Å; A291-T320 CarbonylContact C-O 3.48Å; A291-T320 WeakPolarHBondContact CA-O 3.3Å
292	E	84.4	Confident	88	Confident	95 Å²	95	54.8 Å²	54.8	44%	0.444	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.6	173.9	-69	169.2	173	0	0	109	R290 T320 S364	R290-E292 PolarHBondContact O-N 3.42Å; E292-T320 PolarHBondContact N-O 2.88Å; E292-T320 PolarHBondContact O-N 3.19Å; E292-T320 PolarHBondContact OE2-OG1 3.36Å; E292-S364 VanDerWaalsContact O-CB 3.24Å; E292-S364 WeakPolarHBondContact O-CB 3.09Å; E292-S364 PolarHBondContact O-OG 3.02Å
293	K	86.8	Confident	87.9	Confident	69 Å²	69	54.8 Å²	54.8	30%	0.3	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	148.8	175.7	-70.4	-160.3	177.9	-171.2	0	111	E691	K293-E691 HydrophobicContact CD-CG 4.25Å
294	L	89.8	Confident	87.9	Confident	3 Å²	3	49.9 Å²	49.9	2%	0.016	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.8	177.2	-58.7	-174.8	0	0	0	110.6	V317 A318 P323 G365 V367	L294-V317 HydrophobicContact CB-CG1 3.93Å; L294-V317 HydrophobicContact CD2-CG1 4.4Å; L294-A318 CarbonylContact C-O 3.58Å; L294-A318 WeakPolarHBondContact CA-O 3.49Å; L294-P323 HydrophobicContact CD1-CB 4.05Å; L294-P323 HydrophobicContact CD2-CB 4.28Å; L294-G365 VanDerWaalsContact CD1-O 3.24Å; L294-G365 WeakPolarHBondContact CD1-O 3.49Å; L294-V367 HydrophobicContact CB-CB 4.19Å; L294-V367 HydrophobicContact CB-CG1 3.74Å
295	H	87.7	Confident	87.8	Confident	40 Å²	40	49.9 Å²	49.9	19%	0.185	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149	173.8	63.8	-83.8	0	0	0	111	V317 A318 T687	H295-V317 WeakPolarHBondContact O-CA 3.34Å; H295-V317 WeakPolarHBondContact O-CG1 3.39Å; H295-A318 PolarHBondContact N-O 2.93Å; H295-A318 PolarHBondContact ND1-O 2.78Å; H295-A318 PolarHBondContact O-N 2.82Å; H295-T687 HydrophobicContact CB-CG2 3.9Å
296	V	88.4	Confident	87.8	Confident	37 Å²	37	49 Å²	49	22%	0.224	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.9	-176.7	-172.1	0	0	0	0	109.9	S298 N299 V317 V367	V296-S298 WeakPolarHBondContact CG1-O 3.44Å; V296-N299 WeakPolarHBondContact CG1-OD1 3.08Å; V296-V317 HydrophobicContact CG2-CG2 4.21Å; V296-V367 HydrophobicContact CG2-CG1 4.13Å; V296-V367 HydrophobicContact CG2-CG2 3.76Å
297	L	85.8	Confident	87.8	Confident	107 Å²	107	51.5 Å²	51.5	56%	0.56	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	-36.4	173.4	-67.8	-178.6	0	0	0	112.2	K316 A318	L297-K316 HydrophobicContact CB-CB 4.24Å; L297-K316 PolarHBondContact N-O 3.48Å; L297-A318 HydrophobicContact CD1-CB 3.63Å; L297-A318 HydrophobicContact CD2-CB 4.13Å; L297-A318 HydrophobicContact CG-CB 3.76Å
298	S	86.3	Confident	87.9	Confident	38 Å²	38	47 Å²	47	27%	0.266	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	127.6	-179.4	167.1	0	0	0	0	109.1	V296 C315 K316	V296-S298 WeakPolarHBondContact CG1-O 3.44Å; S298-C315 WeakPolarHBondContact O-CA 3.43Å; S298-K316 PolarHBondContact N-O 2.86Å; S298-K316 PolarHBondContact O-N 2.04Å
299	N	89.6	Confident	88	Confident	24 Å²	24	49.9 Å²	49.9	13%	0.128	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-94.6	158.3	176.9	-68.5	-84.4	0	0	0	110.2	V296 C314 S369 K370 E517	V296-N299 WeakPolarHBondContact CG1-OD1 3.08Å; N299-C314 CarbonylContact C-O 3.57Å; N299-C314 VanDerWaalsContact C-O 3.32Å; N299-S369 WeakPolarHBondContact OD1-CA 3.14Å; N299-S369 VanDerWaalsContact OD1-CB 3.25Å; N299-S369 WeakPolarHBondContact OD1-CB 3.44Å; N299-K370 PolarHBondContact OD1-N 2.94Å; N299-E517 WeakPolarHBondContact CB-OE1 3.42Å; N299-E517 PolarHBondContact ND2-OE1 2.64Å; N299-E517 PolarHBondContact ND2-OE2 2.82Å
300	P	91.9	Very high	88.4	Confident	11 Å²	11	44.3 Å²	44.3	7%	0.071	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-64.2	145.3	171.9	28.3	-34.8	0	0	0	110.7	F313 C314 W328 S369 K370 A372	P300-F313 HydrophobicContact CB-CB 3.91Å; P300-F313 HydrophobicContact CB-CD1 3.84Å; P300-F313 HydrophobicContact CB-CG 4.29Å; P300-C314 WeakPolarHBondContact CA-O 3.39Å; P300-C314 VanDerWaalsContact N-O 3.13Å; P300-W328 HydrophobicContact CB-CH2 4.21Å; P300-W328 HydrophobicContact CB-CZ3 4.31Å; P300-W328 HydrophobicContact CG-CH2 4.49Å; P300-W328 HydrophobicContact CG-CZ3 4.36Å; P300-S369 WeakPolarHBondContact CD-OG 3.33Å; P300-K370 WeakPolarHBondContact CG-O 3.48Å; P300-A372 HydrophobicContact CB-CB 3.67Å; P300-A372 HydrophobicContact CG-CB 3.83Å; P300-A372 WeakPolarHBondContact O-CB 3.27Å
301	E	88.3	Confident	88.9	Confident	58 Å²	58	41.3 Å²	41.3	27%	0.271	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-99	138.2	178.1	-69	-175.8	173.2	0	0	111.6	F313 K430	E301-F313 WeakPolarHBondContact O-CE1 3.37Å; E301-K430 WeakPolarHBondContact OE1-CD 3.26Å; E301-K430 WeakPolarHBondContact OE1-CE 3.45Å; E301-K430 VanDerWaalsContact OE1-CG 3.27Å; E301-K430 WeakPolarHBondContact OE1-CG 3.25Å; E301-K430 IonicContact OE1-NZ 3.89Å; E301-K430 PolarHBondContact OE1-NZ 2.03Å; E301-K430 WeakPolarHBondContact OE2-CA 3.13Å; E301-K430 WeakPolarHBondContact OE2-CB 3.12Å; E301-K430 VanDerWaalsContact OE2-CG 3.31Å; E301-K430 WeakPolarHBondContact OE2-CG 3.44Å
302	S	88.4	Confident	89.3	Confident	65 Å²	65	40 Å²	40	46%	0.455	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-63.8	137.4	174.7	-64.4	0	0	0	0	111.6	T373	S302-T373 CarbonylContact C-O 3.52Å; S302-T373 VanDerWaalsContact CA-O 3.26Å; S302-T373 WeakPolarHBondContact CA-O 3.4Å; S302-T373 WeakPolarHBondContact CB-O 3.41Å; S302-T373 PolarHBondContact OG-N 2.77Å
303	K	89.3	Confident	89.8	Confident	5 Å²	5	35.5 Å²	35.5	2%	0.022	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.4	-173.2	-73.9	178.3	178.3	-175.3	0	112.4	A311 A312 T373 L374 K375 R428 C429 D431	K303-A311 HydrophobicContact CD-CB 4.48Å; K303-A312 PolarHBondContact NZ-O 3.47Å; K303-T373 PolarHBondContact N-O 2.77Å; K303-L374 HydrophobicContact CB-CD1 4.17Å; K303-L374 WeakPolarHBondContact O-CA 3.25Å; K303-K375 PolarHBondContact O-N 2.86Å; K303-R428 PolarHBondContact NZ-O 3.13Å; K303-C429 VanDerWaalsContact CE-O 3.3Å; K303-C429 WeakPolarHBondContact CE-O 3.36Å; K303-C429 PolarHBondContact NZ-O 3.11Å; K303-D431 IonicContact NZ-OD1 3.11Å
304	A	90.2	Very high	90.1	Very high	6 Å²	6	32.4 Å²	32.4	5%	0.05	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	130.1	166.1	0	0	0	0	0	109.5	K375	A304-K375 CarbonylContact C-O 3.56Å; A304-K375 WeakPolarHBondContact CA-O 3.47Å; A304-K375 HydrophobicContact CB-CB 4.4Å
305	R	90.2	Very high	90.2	Very high	15 Å²	15	32.3 Å²	32.3	6%	0.057	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	156.4	-179.5	-68.2	-61.3	-175.2	-94.3	5.9	111.2	Q309 S310 A311 L348 L374 K375 I376 I377 D431	R305-Q309 HydrophobicContact CB-CB 4.37Å; R305-S310 PolarHBondContact NE-O 3.01Å; R305-A311 HydrophobicContact CG-CB 4.32Å; R305-L348 HydrophobicContact CB-CD1 3.6Å; R305-L348 HydrophobicContact CG-CD1 3.79Å; R305-L374 HydrophobicContact CG-CD1 4.41Å; R305-K375 PolarHBondContact N-O 2.93Å; R305-I376 CarbonylContact O-C 3.56Å; R305-I376 WeakPolarHBondContact O-CA 3.33Å; R305-I377 PolarHBondContact O-N 2.9Å; R305-D431 IonicContact CZ-OD1 3.64Å; R305-D431 IonicContact CZ-OD2 2.81Å; R305-D431 VanDerWaalsContact CZ-OD2 3.25Å; R305-D431 IonicContact NH1-OD2 3.53Å; R305-D431 PolarHBondContact NH1-OD2 3.49Å; R305-D431 IonicContact NH2-OD1 2.82Å; R305-D431 PolarHBondContact NH2-OD1 3.37Å; R305-D431 IonicContact NH2-OD2 3.62Å; R305-D431 PolarHBondContact NH2-OD2 3.23Å
306	R	90.3	Very high	90.3	Very high	72 Å²	72	36.3 Å²	36.3	27%	0.272	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	151.5	167.2	-70	-172.8	178.6	-83.1	0.2	110.7	G308 Q309 I377 G378 R379 E381 S383 A420	R306-G308 PolarHBondContact O-N 3.46Å; R306-Q309 HydrophobicContact CB-CG 4.23Å; R306-Q309 VanDerWaalsContact O-CB 3.25Å; R306-Q309 WeakPolarHBondContact O-CB 3.23Å; R306-Q309 WeakPolarHBondContact O-CG 3.4Å; R306-Q309 PolarHBondContact O-N 2.02Å; R306-Q309 VanDerWaalsContact O-N 3.07Å; R306-I377 WeakPolarHBondContact CA-O 3.16Å; R306-G378 PolarHBondContact NH1-O 2.72Å; R306-G378 VanDerWaalsContact NH1-O 3.09Å; R306-R379 PolarHBondContact NH1-O 2.89Å; R306-E381 PolarHBondContact NH1-O 2.91Å; R306-E381 PolarHBondContact NH2-O 2.9Å; R306-S383 PolarHBondContact NH2-OG 2.87Å; R306-A420 HydrophobicContact CG-CB 3.8Å
307	E	92.3	Very high	90.5	Very high	57 Å²	57	34.9 Å²	34.9	27%	0.266	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	134.2	173.1	-172.7	-178.2	-168.2	0	0	111.7	Q309 L348 H349 I376 I377 R379	E307-Q309 VanDerWaalsContact C-N 3.34Å; E307-L348 CarbonylContact C-O 3.56Å; E307-L348 WeakPolarHBondContact CA-O 3.24Å; E307-L348 WeakPolarHBondContact CG-O 3.3Å; E307-H349 IonicContact OE1-ND1 3.18Å; E307-I376 HydrophobicContact CB-CG2 4.4Å; E307-I377 PolarHBondContact N-O 3.45Å; E307-R379 HydrophobicContact CB-CG 4.16Å
308	G	89.7	Confident	90.7	Very high	29 Å²	29	30.6 Å²	30.6	30%	0.299	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-8.1	-175.4	0	0	0	0	0	115.4	R306 D347 L348	R306-G308 PolarHBondContact O-N 3.46Å; G308-D347 WeakPolarHBondContact CA-OD1 3.45Å; G308-L348 PolarHBondContact N-O 2.86Å
309	Q	90.5	Very high	90.7	Very high	62 Å²	62	28.9 Å²	28.9	29%	0.29	16%	0.157	S	C	.	.			trans	-77.3	-179.9	173.3	-65.4	-172.5	-37.2	0	0	111.9	R305 R306 E307 D347 L348	R305-Q309 HydrophobicContact CB-CB 4.37Å; R306-Q309 HydrophobicContact CB-CG 4.23Å; R306-Q309 VanDerWaalsContact O-CB 3.25Å; R306-Q309 WeakPolarHBondContact O-CB 3.23Å; R306-Q309 WeakPolarHBondContact O-CG 3.4Å; R306-Q309 PolarHBondContact O-N 2.02Å; R306-Q309 VanDerWaalsContact O-N 3.07Å; E307-Q309 VanDerWaalsContact C-N 3.34Å; Q309-D347 PolarHBondContact O-N 2.84Å; Q309-L348 WeakPolarHBondContact O-CB 3.22Å; Q309-L348 VanDerWaalsContact O-CG 3.23Å; Q309-L348 WeakPolarHBondContact O-CG 3.32Å; Q309-L348 PolarHBondContact O-N 3.42Å
310	S	91.5	Very high	90.6	Very high	42 Å²	42	29.7 Å²	29.7	29%	0.294	16%	0.162	S	C	.	.			trans	-118.7	153	175.4	-57.4	0	0	0	0	111.5	R305 L345	R305-S310 PolarHBondContact NE-O 3.01Å; S310-L345 CarbonylContact C-O 3.55Å; S310-L345 WeakPolarHBondContact CA-O 3.44Å; S310-L345 VanDerWaalsContact CB-O 3.31Å; S310-L345 WeakPolarHBondContact CB-O 3.45Å
311	A	91.9	Very high	90.4	Very high	2 Å²	2	30.6 Å²	30.6	2%	0.017	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.7	174.1	0	0	0	0	0	110.6	K303 R305 L345 L348 L374	K303-A311 HydrophobicContact CD-CB 4.48Å; R305-A311 HydrophobicContact CG-CB 4.32Å; A311-L345 PolarHBondContact N-O 3.06Å; A311-L345 PolarHBondContact O-N 2.56Å; A311-L348 HydrophobicContact CB-CD1 4.01Å; A311-L374 HydrophobicContact CB-CD1 4.21Å
312	A	92.7	Very high	90.4	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.6	169.6	0	0	0	0	0	111	K303 L343 V344 I427	K303-A312 PolarHBondContact NZ-O 3.47Å; A312-L343 CarbonylContact C-O 3.57Å; A312-L343 VanDerWaalsContact CA-O 3.23Å; A312-L343 WeakPolarHBondContact CA-O 3.47Å; A312-V344 HydrophobicContact CB-CG2 4.23Å; A312-I427 HydrophobicContact CB-CG2 3.47Å; A312-I427 VanDerWaalsContact CB-CG2 3.47Å
313	F	94	Very high	90.6	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135.4	173.8	-64.4	-71.3	0	0	0	108.8	P300 E301 W328 T342 L343 L345 Y356 A372 L374	P300-F313 HydrophobicContact CB-CB 3.91Å; P300-F313 HydrophobicContact CB-CD1 3.84Å; P300-F313 HydrophobicContact CB-CG 4.29Å; E301-F313 WeakPolarHBondContact O-CE1 3.37Å; F313-W328 HydrophobicContact CB-CH2 3.55Å; F313-W328 HydrophobicContact CB-CZ2 4.4Å; F313-W328 HydrophobicContact CB-CZ3 3.71Å; F313-W328 WeakPolarHBondContact O-CZ2 3.43Å; F313-T342 CarbonylContact O-C 3.57Å; F313-T342 WeakPolarHBondContact O-CA 3.36Å; F313-L343 HydrophobicContact CB-CB 4.37Å; F313-L343 HydrophobicContact CD2-CD2 4.25Å; F313-L343 PolarHBondContact N-O 3.13Å; F313-L343 PolarHBondContact O-N 3.05Å; F313-L345 HydrophobicContact CD2-CD1 4.37Å; F313-L345 HydrophobicContact CE2-CD1 3.95Å; F313-Y356 HydrophobicContact CD2-CG 4.24Å; F313-Y356 AromaticContact CE2-CD2 3.89Å; F313-Y356 HydrophobicContact CE2-CD2 3.89Å; F313-Y356 HydrophobicContact CE2-CE2 4.3Å; F313-Y356 HydrophobicContact CE2-CG 4.02Å; F313-Y356 HydrophobicContact CZ-CD2 4.16Å; F313-A372 HydrophobicContact CD1-CB 4.03Å; F313-A372 HydrophobicContact CE1-CB 3.91Å; F313-L374 HydrophobicContact CE2-CB 4.42Å; F313-L374 HydrophobicContact CE2-CD2 4.27Å; F313-L374 HydrophobicContact CZ-CB 3.9Å; F313-L374 HydrophobicContact CZ-CD1 4.1Å; F313-L374 HydrophobicContact CZ-CD2 4.43Å; F313-L374 HydrophobicContact CZ-CG 4.35Å
314	C	92.4	Very high	90.6	Very high	4 Å²	4	37 Å²	37	3%	0.027	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.5	-175.6	-60.3	0	0	0	0	110.4	N299 P300 C429	N299-C314 CarbonylContact C-O 3.57Å; N299-C314 VanDerWaalsContact C-O 3.32Å; P300-C314 WeakPolarHBondContact CA-O 3.39Å; P300-C314 VanDerWaalsContact N-O 3.13Å; C314-C429 HydrophobicContact CB-CB 3.57Å; C314-C429 WeakPolarHBondContact CB-SG 3.2Å; C314-C429 VanDerWaalsContact SG-CA 3.55Å; C314-C429 WeakPolarHBondContact SG-CB 3.48Å; C314-C429 CovalentContact SG-SG 2.01Å; C314-C429 PolarHBondContact SG-SG 2.58Å
315	C	92.4	Very high	90.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.			trans	-135.3	107.8	-178.4	161.9	0	0	0	0	108.1	S298 W328 S341 C358	S298-C315 WeakPolarHBondContact O-CA 3.43Å; C315-W328 HydrophobicContact CB-CH2 4.01Å; C315-W328 HydrophobicContact CB-CZ2 3.84Å; C315-S341 PolarHBondContact N-O 2.98Å; C315-S341 VanDerWaalsContact O-CB 3.32Å; C315-S341 WeakPolarHBondContact O-CB 3.48Å; C315-C358 HydrophobicContact CB-CB 3.45Å; C315-C358 VanDerWaalsContact CB-CB 3.45Å; C315-C358 WeakPolarHBondContact CB-SG 3.38Å; C315-C358 WeakPolarHBondContact SG-CB 3.45Å; C315-C358 CovalentContact SG-SG 2Å; C315-C358 PolarHBondContact SG-SG 2.88Å
316	K	90.8	Very high	90.9	Very high	124 Å²	124	42.6 Å²	42.6	54%	0.539	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.5	176.4	-61.7	-177.6	178.9	177.8	0	108.7	L297 S298	L297-K316 HydrophobicContact CB-CB 4.24Å; L297-K316 PolarHBondContact N-O 3.48Å; S298-K316 PolarHBondContact N-O 2.86Å; S298-K316 PolarHBondContact O-N 2.04Å
317	V	91.5	Very high	91	Very high	8 Å²	8	40.5 Å²	40.5	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.2	-178.5	172	0	0	0	0	107.5	L294 H295 V296 P323 Y326 A360 V367	L294-V317 HydrophobicContact CB-CG1 3.93Å; L294-V317 HydrophobicContact CD2-CG1 4.4Å; H295-V317 WeakPolarHBondContact O-CA 3.34Å; H295-V317 WeakPolarHBondContact O-CG1 3.39Å; V296-V317 HydrophobicContact CG2-CG2 4.21Å; V317-P323 HydrophobicContact CB-CG 4.16Å; V317-P323 HydrophobicContact CG1-CG 4.08Å; V317-Y326 HydrophobicContact CB-CE1 4.37Å; V317-Y326 HydrophobicContact CG2-CE1 4.24Å; V317-A360 HydrophobicContact CB-CB 3.96Å; V317-A360 HydrophobicContact CG1-CB 3.98Å; V317-A360 HydrophobicContact CG2-CB 3.68Å; V317-V367 HydrophobicContact CB-CG1 4.46Å; V317-V367 HydrophobicContact CG1-CG1 3.59Å; V317-V367 HydrophobicContact CG2-CG1 3.97Å
318	A	89.4	Confident	91.2	Very high	16 Å²	16	37.8 Å²	37.8	13%	0.132	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	155.3	173.3	0	0	0	0	0	110.3	L294 H295 L297	L294-A318 CarbonylContact C-O 3.58Å; L294-A318 WeakPolarHBondContact CA-O 3.49Å; H295-A318 PolarHBondContact N-O 2.93Å; H295-A318 PolarHBondContact ND1-O 2.78Å; H295-A318 PolarHBondContact O-N 2.82Å; L297-A318 HydrophobicContact CD1-CB 3.63Å; L297-A318 HydrophobicContact CD2-CB 4.13Å; L297-A318 HydrophobicContact CG-CB 3.76Å
319	G	88.1	Confident	91.4	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	169.7	173.9	0	0	0	0	0	109.5	P321 Q322	G319-P321 CarbonylContact C-O 3.47Å; G319-P321 VanDerWaalsContact C-O 3.24Å; G319-P321 CarbonylContact O-C 3.58Å; G319-Q322 WeakPolarHBondContact O-CA 3.27Å; G319-Q322 PolarHBondContact O-N 3.49Å; G319-Q322 PolarHBondContact O-NE2 2.95Å
320	T	87	Confident	91.6	Very high	41 Å²	41	36.5 Å²	36.5	25%	0.252	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	108.5	-175.9	-54	0	0	0	0	108.2	A268 A291 E292 S364	A268-T320 HydrophobicContact CB-CG2 3.75Å; A291-T320 CarbonylContact C-O 3.48Å; A291-T320 WeakPolarHBondContact CA-O 3.3Å; E292-T320 PolarHBondContact N-O 2.88Å; E292-T320 PolarHBondContact O-N 3.19Å; E292-T320 PolarHBondContact OE2-OG1 3.36Å; T320-S364 PolarHBondContact O-OG 2.88Å; T320-S364 VanDerWaalsContact O-OG 3.09Å
321	P	87.6	Confident	91.7	Very high	31 Å²	31	38 Å²	38	20%	0.201	19%	0.191	C	C	.	.	S	Bend	cis	-64.6	161.6	-5.4	-20	34.1	0	0	0	114.3	A268 G319 S364	A268-P321 HydrophobicContact CB-CG 4.13Å; G319-P321 CarbonylContact C-O 3.47Å; G319-P321 VanDerWaalsContact C-O 3.24Å; G319-P321 CarbonylContact O-C 3.58Å; P321-S364 VanDerWaalsContact CD-OG 3.28Å; P321-S364 WeakPolarHBondContact CD-OG 3.47Å
322	Q	88.8	Confident	91.6	Very high	120 Å²	120	43.4 Å²	43.4	56%	0.561	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-62.6	152.6	176.3	-68.9	-68.8	-27	0	0	111.5	G319	G319-Q322 WeakPolarHBondContact O-CA 3.27Å; G319-Q322 PolarHBondContact O-N 3.49Å; G319-Q322 PolarHBondContact O-NE2 2.95Å
323	P	91.6	Very high	91.7	Very high	17 Å²	17	49.1 Å²	49.1	11%	0.11	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-61.9	140.4	176.8	27.3	-34.6	0	0	0	110.8	L294 V317 Y326 A360	L294-P323 HydrophobicContact CD1-CB 4.05Å; L294-P323 HydrophobicContact CD2-CB 4.28Å; V317-P323 HydrophobicContact CB-CG 4.16Å; V317-P323 HydrophobicContact CG1-CG 4.08Å; P323-Y326 HydrophobicContact CB-CE2 4.37Å; P323-Y326 HydrophobicContact CG-CE2 4.02Å; P323-Y326 WeakPolarHBondContact CG-OH 3.5Å; P323-A360 HydrophobicContact CB-CB 4.02Å; P323-A360 HydrophobicContact CG-CB 4.49Å
324	N	89.7	Confident	91.6	Very high	124 Å²	124	52.6 Å²	52.6	66%	0.663	27%	0.267	S	S	*	.			trans	-106.3	-7.5	-178.7	66.6	-4.1	0	0	0	113.3	S361 G362	N324-S361 PolarHBondContact N-O 2.89Å; N324-S361 PolarHBondContact OD1-O 2.96Å; N324-G362 WeakPolarHBondContact OD1-CA 3.4Å
325	K	92	Very high	91.6	Very high	104 Å²	104	54.8 Å²	54.8	45%	0.452	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	132.4	-179.9	-173.9	178	-176.9	-179.6	0	111	Q327 A360 S361	K325-Q327 HydrophobicContact CG-CG 4.37Å; K325-A360 CarbonylContact O-C 3.56Å; K325-A360 WeakPolarHBondContact O-CA 3.48Å; K325-S361 PolarHBondContact N-O 3.2Å; K325-S361 VanDerWaalsContact N-O 3.14Å; K325-S361 PolarHBondContact O-N 3.32Å
326	Y	93.8	Very high	90.8	Very high	35 Å²	35	62.5 Å²	62.5	14%	0.137	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.1	167.2	-68.7	-98	0	0	0	110.2	V317 P323 S339 R359 A360	V317-Y326 HydrophobicContact CB-CE1 4.37Å; V317-Y326 HydrophobicContact CG2-CE1 4.24Å; P323-Y326 HydrophobicContact CB-CE2 4.37Å; P323-Y326 HydrophobicContact CG-CE2 4.02Å; P323-Y326 WeakPolarHBondContact CG-OH 3.5Å; Y326-S339 WeakPolarHBondContact CB-O 3.41Å; Y326-S339 WeakPolarHBondContact O-CA 3.11Å; Y326-R359 CarbonylContact C-O 3.47Å; Y326-R359 WeakPolarHBondContact CA-O 3.09Å; Y326-A360 HydrophobicContact CD1-CB 3.88Å; Y326-A360 HydrophobicContact CE1-CB 3.69Å
327	Q	94.1	Very high	90	Very high	29 Å²	29	65.3 Å²	65.3	14%	0.136	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.2	176.4	-61.1	-175.8	-75.1	0	0	108.8	K325 F329 L334 C358 R359	K325-Q327 HydrophobicContact CG-CG 4.37Å; Q327-F329 HydrophobicContact CB-CE2 3.91Å; Q327-F329 HydrophobicContact CB-CZ 4.45Å; Q327-L334 HydrophobicContact CB-CD1 3.81Å; Q327-L334 HydrophobicContact CG-CD1 4.35Å; Q327-C358 CarbonylContact O-C 3.52Å; Q327-C358 VanDerWaalsContact O-CA 3.28Å; Q327-C358 WeakPolarHBondContact O-CA 3.44Å; Q327-R359 PolarHBondContact N-O 3.45Å; Q327-R359 PolarHBondContact O-N 2.89Å
328	W	95.5	Very high	89.3	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	143.2	175.8	-76.9	90.6	0	0	0	111.7	P300 F313 C315 M335 Q338 E340 L343 C358	P300-W328 HydrophobicContact CB-CH2 4.21Å; P300-W328 HydrophobicContact CB-CZ3 4.31Å; P300-W328 HydrophobicContact CG-CH2 4.49Å; P300-W328 HydrophobicContact CG-CZ3 4.36Å; F313-W328 HydrophobicContact CB-CH2 3.55Å; F313-W328 HydrophobicContact CB-CZ2 4.4Å; F313-W328 HydrophobicContact CB-CZ3 3.71Å; F313-W328 WeakPolarHBondContact O-CZ2 3.43Å; C315-W328 HydrophobicContact CB-CH2 4.01Å; C315-W328 HydrophobicContact CB-CZ2 3.84Å; W328-M335 HydrophobicContact CB-CB 4.43Å; W328-M335 HydrophobicContact CB-SD 4.28Å; W328-M335 WeakPolarHBondContact O-CB 3.47Å; W328-M335 PolarHBondContact O-N 2.94Å; W328-Q338 HydrophobicContact CB-CB 4.26Å; W328-Q338 HydrophobicContact CG-CB 4.5Å; W328-E340 PolarHBondContact NE1-O 3.23Å; W328-L343 HydrophobicContact CB-CD2 4.28Å; W328-L343 HydrophobicContact CD2-CB 3.61Å; W328-L343 HydrophobicContact CD2-CD2 3.87Å; W328-L343 HydrophobicContact CD2-CG 4.31Å; W328-L343 VanDerWaalsContact CE2-CB 3.5Å; W328-L343 HydrophobicContact CE3-CB 4.07Å; W328-L343 HydrophobicContact CE3-CD2 3.75Å; W328-L343 HydrophobicContact CG-CB 3.99Å; W328-L343 HydrophobicContact CG-CD2 4.1Å; W328-L343 HydrophobicContact CG-CG 4.44Å; W328-L343 HydrophobicContact CH2-CB 4.3Å; W328-L343 HydrophobicContact CZ2-CB 3.86Å; W328-L343 HydrophobicContact CZ3-CB 4.39Å; W328-L343 HydrophobicContact CZ3-CD2 4.39Å; W328-C358 HydrophobicContact CD2-CB 4.19Å; W328-C358 HydrophobicContact CE3-CB 4.29Å; W328-C358 HydrophobicContact CH2-CB 4.24Å; W328-C358 HydrophobicContact CZ2-CB 4.13Å; W328-C358 HydrophobicContact CZ3-CB 4.31Å
329	F	94.7	Very high	88.9	Confident	28 Å²	28	71.3 Å²	71.3	12%	0.123	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.1	178.6	-65	-100.1	0	0	0	109.5	Q327 I333 L334 Y356 Y357 R359	Q327-F329 HydrophobicContact CB-CE2 3.91Å; Q327-F329 HydrophobicContact CB-CZ 4.45Å; F329-I333 CarbonylContact C-O 3.57Å; F329-I333 VanDerWaalsContact CA-O 3.23Å; F329-I333 WeakPolarHBondContact CA-O 3.42Å; F329-L334 HydrophobicContact CD1-CB 4.29Å; F329-L334 HydrophobicContact CE1-CB 4.02Å; F329-L334 HydrophobicContact CE1-CD1 4.12Å; F329-L334 HydrophobicContact CE2-CD1 4.24Å; F329-L334 HydrophobicContact CZ-CD1 3.91Å; F329-Y356 VanDerWaalsContact O-CA 3.29Å; F329-Y356 WeakPolarHBondContact O-CA 3.44Å; F329-Y357 HydrophobicContact CB-CD1 3.97Å; F329-Y357 HydrophobicContact CB-CD2 4.09Å; F329-Y357 HydrophobicContact CB-CE1 3.58Å; F329-Y357 HydrophobicContact CB-CE2 3.68Å; F329-Y357 HydrophobicContact CB-CG 4.22Å; F329-Y357 VanDerWaalsContact CB-CZ 3.43Å; F329-Y357 HydrophobicContact CD1-CE2 4.29Å; F329-Y357 AromaticContact CD2-CD2 3.94Å; F329-Y357 HydrophobicContact CD2-CD2 3.94Å; F329-Y357 AromaticContact CD2-CE2 3.49Å; F329-Y357 HydrophobicContact CD2-CE2 3.49Å; F329-Y357 VanDerWaalsContact CD2-CE2 3.49Å; F329-Y357 HydrophobicContact CE2-CE2 4.21Å; F329-Y357 HydrophobicContact CG-CD2 4.23Å; F329-Y357 HydrophobicContact CG-CE1 4.27Å; F329-Y357 AromaticContact CG-CE2 3.55Å; F329-Y357 HydrophobicContact CG-CE2 3.55Å; F329-Y357 AromaticContact CG-CZ 3.6Å; F329-Y357 PolarHBondContact N-O 3.41Å; F329-Y357 PolarHBondContact O-N 3.32Å; F329-Y357 VanDerWaalsContact O-N 3.16Å; F329-R359 HydrophobicContact CD2-CB 4.48Å; F329-R359 HydrophobicContact CE2-CB 3.71Å
330	H	95	Very high	88.9	Confident	35 Å²	35	77.3 Å²	77.3	16%	0.162	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.6	170.7	175.2	-136	0	0	0	108.4	N332 I333 M335 Q352 A353 E355 Y356	H330-N332 PolarHBondContact O-N 3.38Å; H330-I333 PolarHBondContact N-O 3.2Å; H330-I333 WeakPolarHBondContact O-CB 3.29Å; H330-I333 PolarHBondContact O-N 3.02Å; H330-M335 HydrophobicContact CB-CG 4.11Å; H330-M335 HydrophobicContact CB-SD 3.94Å; H330-Q352 PolarHBondContact NE2-O 2.72Å; H330-A353 PolarHBondContact NE2-O 3.35Å; H330-E355 CarbonylContact C-O 3.56Å; H330-E355 WeakPolarHBondContact CA-O 3.03Å; H330-Y356 HydrophobicContact CB-CD1 4.08Å; H330-Y356 HydrophobicContact CB-CE1 3.72Å; H330-Y356 AromaticContact CD2-CE1 3.68Å; H330-Y356 AromaticContact CD2-CE2 3.46Å; H330-Y356 VanDerWaalsContact CD2-CE2 3.46Å; H330-Y356 WeakPolarHBondContact CD2-CE2 3.23Å; H330-Y356 AromaticContact CD2-CZ 3.25Å; H330-Y356 PolarHBondContact CD2-OH 2.99Å; H330-Y356 AromaticContact CG-CE1 3.77Å; H330-Y356 AromaticContact CG-CZ 3.73Å; H330-Y356 AromaticContact NE2-CE2 3.89Å; H330-Y356 AromaticContact NE2-CZ 3.73Å
331	N	92.3	Very high	89.1	Confident	74 Å²	74	77.2 Å²	77.2	40%	0.396	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	43	-176	-61.4	-32.8	0	0	0	113.3	I333 G354 E355	N331-I333 PolarHBondContact O-N 2.66Å; N331-G354 WeakPolarHBondContact OD1-CA 3.48Å; N331-E355 PolarHBondContact N-O 2.92Å; N331-E355 PolarHBondContact OD1-N 3.44Å
332	N	90.6	Very high	89.3	Confident	116 Å²	116	78.3 Å²	78.3	62%	0.62	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	6.5	-174.6	-58.4	-50.7	0	0	0	116.5	H330 Y357	H330-N332 PolarHBondContact O-N 3.38Å; N332-Y357 WeakPolarHBondContact OD1-CE1 3.1Å; N332-Y357 PolarHBondContact OD1-OH 3.07Å
333	I	93.8	Very high	89.6	Confident	122 Å²	122	72.6 Å²	72.6	63%	0.626	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.5	175.4	-55.7	173.7	0	0	0	109	F329 H330 N331 M335	F329-I333 CarbonylContact C-O 3.57Å; F329-I333 VanDerWaalsContact CA-O 3.23Å; F329-I333 WeakPolarHBondContact CA-O 3.42Å; H330-I333 PolarHBondContact N-O 3.2Å; H330-I333 WeakPolarHBondContact O-CB 3.29Å; H330-I333 PolarHBondContact O-N 3.02Å; N331-I333 PolarHBondContact O-N 2.66Å; I333-M335 PolarHBondContact O-N 3Å
334	L	93.5	Very high	89.7	Confident	75 Å²	75	74.6 Å²	74.6	39%	0.393	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.9	177.8	177.2	66.6	0	0	0	110.9	Q327 F329	Q327-L334 HydrophobicContact CB-CD1 3.81Å; Q327-L334 HydrophobicContact CG-CD1 4.35Å; F329-L334 HydrophobicContact CD1-CB 4.29Å; F329-L334 HydrophobicContact CE1-CB 4.02Å; F329-L334 HydrophobicContact CE1-CD1 4.12Å; F329-L334 HydrophobicContact CE2-CD1 4.24Å; F329-L334 HydrophobicContact CZ-CD1 3.91Å
335	M	92.5	Very high	89.8	Confident	49 Å²	49	69.2 Å²	69.2	24%	0.241	36%	0.355	C	S	.	.			trans	-89.2	106.1	173.4	-60.3	-177.4	74.6	0	0	109.9	W328 H330 I333 Q338 L343 L345 Y356	W328-M335 HydrophobicContact CB-CB 4.43Å; W328-M335 HydrophobicContact CB-SD 4.28Å; W328-M335 WeakPolarHBondContact O-CB 3.47Å; W328-M335 PolarHBondContact O-N 2.94Å; H330-M335 HydrophobicContact CB-CG 4.11Å; H330-M335 HydrophobicContact CB-SD 3.94Å; I333-M335 PolarHBondContact O-N 3Å; M335-Q338 HydrophobicContact CB-CG 4.41Å; M335-L343 HydrophobicContact CE-CD1 4.35Å; M335-L343 HydrophobicContact SD-CD2 4.03Å; M335-L345 HydrophobicContact CE-CD2 4.38Å; M335-Y356 HydrophobicContact CE-CE1 4.38Å; M335-Y356 HydrophobicContact SD-CD1 4.14Å; M335-Y356 HydrophobicContact SD-CE1 3.87Å
336	E	75.3	Confident	89.8	Confident	162 Å²	162	71.1 Å²	71.1	76%	0.757	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	144.8	174.8	-61.6	-171.6	168.4	0	0	110.4
337	M	72.8	Confident	89.7	Confident	184 Å²	184	74 Å²	74	91%	0.906	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	5	-179.5	-45.6	-176.4	177.6	0	0	117.8
338	Q	77.2	Confident	89.6	Confident	70 Å²	70	72.6 Å²	72.6	33%	0.327	37%	0.374	S	S	.	.			trans	-110.4	90.4	176.2	-61.1	-64.6	-26.1	0	0	111.3	W328 M335 L343	W328-Q338 HydrophobicContact CB-CB 4.26Å; W328-Q338 HydrophobicContact CG-CB 4.5Å; M335-Q338 HydrophobicContact CB-CG 4.41Å; Q338-L343 HydrophobicContact CB-CD1 4.21Å; Q338-L343 HydrophobicContact CG-CD1 3.68Å
339	S	81	Confident	89.5	Confident	80 Å²	80	76.9 Å²	76.9	56%	0.559	39%	0.394	S	S	*	.			trans	-108.7	3.2	-175.3	59	0	0	0	0	115.1	Y326	Y326-S339 WeakPolarHBondContact CB-O 3.41Å; Y326-S339 WeakPolarHBondContact O-CA 3.11Å
340	E	88.4	Confident	89.3	Confident	128 Å²	128	79.3 Å²	79.3	60%	0.598	41%	0.412	S	S	*	.	S	Bend	trans	-91.9	158.6	-178.9	-68.3	-65	163.4	0	0	111.7	W328 T342	W328-E340 PolarHBondContact NE1-O 3.23Å; E340-T342 PolarHBondContact O-N 2.79Å; E340-T342 VanDerWaalsContact O-N 3.12Å
341	S	90.6	Very high	89.2	Confident	39 Å²	39	86.2 Å²	86.2	27%	0.273	45%	0.445	S	S	.	.	S	Bend	trans	-64.1	-12.9	173	59.8	0	0	0	0	113.6	C315	C315-S341 PolarHBondContact N-O 2.98Å; C315-S341 VanDerWaalsContact O-CB 3.32Å; C315-S341 WeakPolarHBondContact O-CB 3.48Å
342	T	93.1	Very high	89.3	Confident	54 Å²	54	85.3 Å²	85.3	33%	0.331	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	120.9	-178.2	-61.1	0	0	0	0	110.6	F313 E340 V344	F313-T342 CarbonylContact O-C 3.57Å; F313-T342 WeakPolarHBondContact O-CA 3.36Å; E340-T342 PolarHBondContact O-N 2.79Å; E340-T342 VanDerWaalsContact O-N 3.12Å; T342-V344 HydrophobicContact CG2-CG2 4.08Å
343	L	94.1	Very high	89.4	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.1	173	174.1	66	0	0	0	109.5	A312 F313 W328 M335 Q338 L345 Y356	A312-L343 CarbonylContact C-O 3.57Å; A312-L343 VanDerWaalsContact CA-O 3.23Å; A312-L343 WeakPolarHBondContact CA-O 3.47Å; F313-L343 HydrophobicContact CB-CB 4.37Å; F313-L343 HydrophobicContact CD2-CD2 4.25Å; F313-L343 PolarHBondContact N-O 3.13Å; F313-L343 PolarHBondContact O-N 3.05Å; W328-L343 HydrophobicContact CB-CD2 4.28Å; W328-L343 HydrophobicContact CD2-CB 3.61Å; W328-L343 HydrophobicContact CD2-CD2 3.87Å; W328-L343 HydrophobicContact CD2-CG 4.31Å; W328-L343 VanDerWaalsContact CE2-CB 3.5Å; W328-L343 HydrophobicContact CE3-CB 4.07Å; W328-L343 HydrophobicContact CE3-CD2 3.75Å; W328-L343 HydrophobicContact CG-CB 3.99Å; W328-L343 HydrophobicContact CG-CD2 4.1Å; W328-L343 HydrophobicContact CG-CG 4.44Å; W328-L343 HydrophobicContact CH2-CB 4.3Å; W328-L343 HydrophobicContact CZ2-CB 3.86Å; W328-L343 HydrophobicContact CZ3-CB 4.39Å; W328-L343 HydrophobicContact CZ3-CD2 4.39Å; M335-L343 HydrophobicContact CE-CD1 4.35Å; M335-L343 HydrophobicContact SD-CD2 4.03Å; Q338-L343 HydrophobicContact CB-CD1 4.21Å; Q338-L343 HydrophobicContact CG-CD1 3.68Å; L343-L345 HydrophobicContact CD1-CD2 4.17Å; L343-L345 HydrophobicContact CD2-CD2 4.42Å; L343-L345 HydrophobicContact CG-CD2 4.24Å; L343-L345 HydrophobicContact CG-CG 4.38Å; L343-Y356 HydrophobicContact CD2-CD1 3.65Å; L343-Y356 HydrophobicContact CD2-CE1 4.05Å
344	V	93	Very high	89.4	Confident	58 Å²	58	76.5 Å²	76.5	35%	0.352	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.9	176.8	-177.6	0	0	0	0	109.8	A312 T342 K346 I427	A312-V344 HydrophobicContact CB-CG2 4.23Å; T342-V344 HydrophobicContact CG2-CG2 4.08Å; V344-K346 HydrophobicContact CG1-CG 4.2Å; V344-I427 HydrophobicContact CG1-CD1 4.05Å; V344-I427 HydrophobicContact CG1-CG2 3.94Å; V344-I427 HydrophobicContact CG2-CG2 4.34Å
345	L	92.8	Very high	89.5	Confident	11 Å²	11	75.9 Å²	75.9	6%	0.058	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.7	174.5	-55.9	175.9	0	0	0	108.7	S310 A311 F313 M335 L343 L348 Y356 L374	S310-L345 CarbonylContact C-O 3.55Å; S310-L345 WeakPolarHBondContact CA-O 3.44Å; S310-L345 VanDerWaalsContact CB-O 3.31Å; S310-L345 WeakPolarHBondContact CB-O 3.45Å; A311-L345 PolarHBondContact N-O 3.06Å; A311-L345 PolarHBondContact O-N 2.56Å; F313-L345 HydrophobicContact CD2-CD1 4.37Å; F313-L345 HydrophobicContact CE2-CD1 3.95Å; M335-L345 HydrophobicContact CE-CD2 4.38Å; L343-L345 HydrophobicContact CD1-CD2 4.17Å; L343-L345 HydrophobicContact CD2-CD2 4.42Å; L343-L345 HydrophobicContact CG-CD2 4.24Å; L343-L345 HydrophobicContact CG-CG 4.38Å; L345-L348 HydrophobicContact CB-CD2 3.66Å; L345-L348 HydrophobicContact CD1-CD2 4.14Å; L345-Y356 HydrophobicContact CD1-CE1 3.94Å; L345-Y356 HydrophobicContact CD1-CE2 4.35Å; L345-L374 HydrophobicContact CD1-CD2 3.8Å
346	K	91.8	Very high	89.6	Confident	145 Å²	145	73.7 Å²	73.7	63%	0.63	39%	0.385	S	S	*	.			trans	-117.1	154.9	177.4	-62.6	-179.3	-178.6	175.5	0	109.5	V344	V344-K346 HydrophobicContact CG1-CG 4.2Å
347	D	91.1	Very high	90.5	Very high	94 Å²	94	67.3 Å²	67.3	50%	0.503	36%	0.355	S	S	.	.	S	Bend	trans	50.5	60.5	178.9	-161.9	22.3	0	0	0	111.9	G308 Q309 H349	G308-D347 WeakPolarHBondContact CA-OD1 3.45Å; Q309-D347 PolarHBondContact O-N 2.84Å; D347-H349 PolarHBondContact O-CD2 3.07Å; D347-H349 PolarHBondContact O-N 3.11Å
348	L	93.2	Very high	91.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.312	C	S	.	.			trans	-61.8	127.7	-169.3	-77.2	172.9	0	0	0	112.7	R305 E307 G308 Q309 A311 L345 Q352 L374 I376	R305-L348 HydrophobicContact CB-CD1 3.6Å; R305-L348 HydrophobicContact CG-CD1 3.79Å; E307-L348 CarbonylContact C-O 3.56Å; E307-L348 WeakPolarHBondContact CA-O 3.24Å; E307-L348 WeakPolarHBondContact CG-O 3.3Å; G308-L348 PolarHBondContact N-O 2.86Å; Q309-L348 WeakPolarHBondContact O-CB 3.22Å; Q309-L348 VanDerWaalsContact O-CG 3.23Å; Q309-L348 WeakPolarHBondContact O-CG 3.32Å; Q309-L348 PolarHBondContact O-N 3.42Å; A311-L348 HydrophobicContact CB-CD1 4.01Å; L345-L348 HydrophobicContact CB-CD2 3.66Å; L345-L348 HydrophobicContact CD1-CD2 4.14Å; L348-Q352 VanDerWaalsContact CA-OE1 3.3Å; L348-Q352 HydrophobicContact CD2-CB 4.44Å; L348-L374 HydrophobicContact CD1-CD1 4.47Å; L348-L374 HydrophobicContact CD1-CD2 4.49Å; L348-L374 HydrophobicContact CD2-CD2 3.81Å; L348-I376 HydrophobicContact CB-CD1 4.17Å; L348-I376 HydrophobicContact CD2-CD1 4.27Å
349	H	93.4	Very high	92.3	Very high	90 Å²	90	57.4 Å²	57.4	42%	0.417	30%	0.304	S	S	.	.			trans	-110.3	153	173.9	-76.6	-64.8	0	0	0	112.3	E307 D347 E351 Q352 I376	E307-H349 IonicContact OE1-ND1 3.18Å; D347-H349 PolarHBondContact O-CD2 3.07Å; D347-H349 PolarHBondContact O-N 3.11Å; H349-E351 PolarHBondContact O-N 3.09Å; H349-Q352 WeakPolarHBondContact O-CB 3.21Å; H349-Q352 PolarHBondContact O-N 3.36Å; H349-I376 WeakPolarHBondContact O-CD1 3.36Å
350	P	90.9	Very high	93	Very high	79 Å²	79	53.6 Å²	53.6	51%	0.513	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-52.2	-32.6	-177.4	-28.3	35.5	0	0	0	115.1	Q352 A353	P350-Q352 PolarHBondContact O-N 2.76Å; P350-A353 VanDerWaalsContact O-CB 3.27Å; P350-A353 WeakPolarHBondContact O-CB 3.49Å; P350-A353 PolarHBondContact O-N 2.95Å; P350-A353 VanDerWaalsContact O-N 3.11Å
351	E	92.1	Very high	93.2	Very high	180 Å²	180	48.6 Å²	48.6	84%	0.841	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-65	-21.4	178.5	-59.7	179.5	-175.6	0	0	113.6	H349 A353	H349-E351 PolarHBondContact O-N 3.09Å; E351-A353 VanDerWaalsContact C-N 3.28Å
352	Q	93.2	Very high	93.1	Very high	56 Å²	56	47.6 Å²	47.6	26%	0.262	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-83.9	-2.4	177.2	-63.1	172.6	-48.2	0	0	112.4	H330 L348 H349 P350 Y356 I376	H330-Q352 PolarHBondContact NE2-O 2.72Å; L348-Q352 VanDerWaalsContact CA-OE1 3.3Å; L348-Q352 HydrophobicContact CD2-CB 4.44Å; H349-Q352 WeakPolarHBondContact O-CB 3.21Å; H349-Q352 PolarHBondContact O-N 3.36Å; P350-Q352 PolarHBondContact O-N 2.76Å; Q352-Y356 WeakPolarHBondContact O-CE2 3.03Å; Q352-Y356 PolarHBondContact O-OH 3.24Å; Q352-I376 HydrophobicContact CB-CD1 4.03Å
353	A	94.3	Very high	92.7	Very high	35 Å²	35	49.5 Å²	49.5	29%	0.289	27%	0.266	S	S	.	.			trans	-65.3	151.6	172.3	0	0	0	0	0	110.9	H330 P350 E351 L374 I376	H330-A353 PolarHBondContact NE2-O 3.35Å; P350-A353 VanDerWaalsContact O-CB 3.27Å; P350-A353 WeakPolarHBondContact O-CB 3.49Å; P350-A353 PolarHBondContact O-N 2.95Å; P350-A353 VanDerWaalsContact O-N 3.11Å; E351-A353 VanDerWaalsContact C-N 3.28Å; A353-L374 WeakPolarHBondContact CA-O 3.32Å; A353-I376 HydrophobicContact CB-CB 4.47Å; A353-I376 HydrophobicContact CB-CD1 4.22Å; A353-I376 HydrophobicContact CB-CG1 4.26Å
354	G	93.5	Very high	92.2	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.5	-160.4	179.8	0	0	0	0	0	113.5	N331 T373 L374	N331-G354 WeakPolarHBondContact OD1-CA 3.48Å; G354-T373 CarbonylContact O-C 3.59Å; G354-T373 WeakPolarHBondContact O-CA 3.48Å; G354-L374 PolarHBondContact N-O 3.45Å; G354-L374 VanDerWaalsContact N-O 3.09Å; G354-L374 PolarHBondContact O-N 3.09Å
355	E	94.3	Very high	92	Very high	63 Å²	63	49.4 Å²	49.4	29%	0.294	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	134.9	-173.4	-68.3	176.7	179.9	0	0	111.6	H330 N331 P371 A372 K882	H330-E355 CarbonylContact C-O 3.56Å; H330-E355 WeakPolarHBondContact CA-O 3.03Å; N331-E355 PolarHBondContact N-O 2.92Å; N331-E355 PolarHBondContact OD1-N 3.44Å; E355-P371 HydrophobicContact CB-CB 4.35Å; E355-A372 CarbonylContact C-O 3.47Å; E355-A372 WeakPolarHBondContact CA-O 3.44Å; E355-K882 IonicContact OE1-NZ 3.54Å
356	Y	95.1	Very high	91.9	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	131	179.8	-69.1	-94.5	0	0	0	111.1	F313 F329 H330 M335 L343 L345 Q352 P371 A372 L374	F313-Y356 HydrophobicContact CD2-CG 4.24Å; F313-Y356 AromaticContact CE2-CD2 3.89Å; F313-Y356 HydrophobicContact CE2-CD2 3.89Å; F313-Y356 HydrophobicContact CE2-CE2 4.3Å; F313-Y356 HydrophobicContact CE2-CG 4.02Å; F313-Y356 HydrophobicContact CZ-CD2 4.16Å; F329-Y356 VanDerWaalsContact O-CA 3.29Å; F329-Y356 WeakPolarHBondContact O-CA 3.44Å; H330-Y356 HydrophobicContact CB-CD1 4.08Å; H330-Y356 HydrophobicContact CB-CE1 3.72Å; H330-Y356 AromaticContact CD2-CE1 3.68Å; H330-Y356 AromaticContact CD2-CE2 3.46Å; H330-Y356 VanDerWaalsContact CD2-CE2 3.46Å; H330-Y356 WeakPolarHBondContact CD2-CE2 3.23Å; H330-Y356 AromaticContact CD2-CZ 3.25Å; H330-Y356 PolarHBondContact CD2-OH 2.99Å; H330-Y356 AromaticContact CG-CE1 3.77Å; H330-Y356 AromaticContact CG-CZ 3.73Å; H330-Y356 AromaticContact NE2-CE2 3.89Å; H330-Y356 AromaticContact NE2-CZ 3.73Å; M335-Y356 HydrophobicContact CE-CE1 4.38Å; M335-Y356 HydrophobicContact SD-CD1 4.14Å; M335-Y356 HydrophobicContact SD-CE1 3.87Å; L343-Y356 HydrophobicContact CD2-CD1 3.65Å; L343-Y356 HydrophobicContact CD2-CE1 4.05Å; L345-Y356 HydrophobicContact CD1-CE1 3.94Å; L345-Y356 HydrophobicContact CD1-CE2 4.35Å; Q352-Y356 WeakPolarHBondContact O-CE2 3.03Å; Q352-Y356 PolarHBondContact O-OH 3.24Å; Y356-P371 CarbonylContact O-C 3.23Å; Y356-P371 WeakPolarHBondContact O-CA 3.34Å; Y356-A372 PolarHBondContact N-O 3.04Å; Y356-A372 PolarHBondContact O-N 3.43Å; Y356-L374 HydrophobicContact CD2-CB 4.07Å; Y356-L374 HydrophobicContact CE2-CB 3.77Å; Y356-L374 HydrophobicContact CE2-CD2 3.97Å
357	Y	94.5	Very high	92	Very high	29 Å²	29	42.7 Å²	42.7	11%	0.114	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.8	171	63.6	-88.2	0	0	0	111.2	F329 N332 K368 P371	F329-Y357 HydrophobicContact CB-CD1 3.97Å; F329-Y357 HydrophobicContact CB-CD2 4.09Å; F329-Y357 HydrophobicContact CB-CE1 3.58Å; F329-Y357 HydrophobicContact CB-CE2 3.68Å; F329-Y357 HydrophobicContact CB-CG 4.22Å; F329-Y357 VanDerWaalsContact CB-CZ 3.43Å; F329-Y357 HydrophobicContact CD1-CE2 4.29Å; F329-Y357 AromaticContact CD2-CD2 3.94Å; F329-Y357 HydrophobicContact CD2-CD2 3.94Å; F329-Y357 AromaticContact CD2-CE2 3.49Å; F329-Y357 HydrophobicContact CD2-CE2 3.49Å; F329-Y357 VanDerWaalsContact CD2-CE2 3.49Å; F329-Y357 HydrophobicContact CE2-CE2 4.21Å; F329-Y357 HydrophobicContact CG-CD2 4.23Å; F329-Y357 HydrophobicContact CG-CE1 4.27Å; F329-Y357 AromaticContact CG-CE2 3.55Å; F329-Y357 HydrophobicContact CG-CE2 3.55Å; F329-Y357 AromaticContact CG-CZ 3.6Å; F329-Y357 PolarHBondContact N-O 3.41Å; F329-Y357 PolarHBondContact O-N 3.32Å; F329-Y357 VanDerWaalsContact O-N 3.16Å; N332-Y357 WeakPolarHBondContact OD1-CE1 3.1Å; N332-Y357 PolarHBondContact OD1-OH 3.07Å; Y357-K368 HydrophobicContact CE2-CD 4.27Å; Y357-P371 HydrophobicContact CD1-CB 4.48Å
358	C	94.3	Very high	92.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	155.5	173.1	71.9	0	0	0	0	110.8	C315 Q327 W328 K368 S369	C315-C358 HydrophobicContact CB-CB 3.45Å; C315-C358 VanDerWaalsContact CB-CB 3.45Å; C315-C358 WeakPolarHBondContact CB-SG 3.38Å; C315-C358 WeakPolarHBondContact SG-CB 3.45Å; C315-C358 CovalentContact SG-SG 2Å; C315-C358 PolarHBondContact SG-SG 2.88Å; Q327-C358 CarbonylContact O-C 3.52Å; Q327-C358 VanDerWaalsContact O-CA 3.28Å; Q327-C358 WeakPolarHBondContact O-CA 3.44Å; W328-C358 HydrophobicContact CD2-CB 4.19Å; W328-C358 HydrophobicContact CE3-CB 4.29Å; W328-C358 HydrophobicContact CH2-CB 4.24Å; W328-C358 HydrophobicContact CZ2-CB 4.13Å; W328-C358 HydrophobicContact CZ3-CB 4.31Å; C358-K368 WeakPolarHBondContact O-CA 3.22Å; C358-S369 PolarHBondContact N-OG 3.26Å; C358-S369 PolarHBondContact O-N 2.77Å; C358-S369 WeakPolarHBondContact SG-CB 3.42Å; C358-S369 PolarHBondContact SG-OG 3.31Å; C358-S369 VanDerWaalsContact SG-OG 3.32Å
359	R	94.6	Very high	92	Very high	46 Å²	46	41.4 Å²	41.4	17%	0.174	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122	160.1	-176.9	-176.3	177.6	-140.3	7.9	108.3	Y326 Q327 F329 V367 K368 E630	Y326-R359 CarbonylContact C-O 3.47Å; Y326-R359 WeakPolarHBondContact CA-O 3.09Å; Q327-R359 PolarHBondContact N-O 3.45Å; Q327-R359 PolarHBondContact O-N 2.89Å; F329-R359 HydrophobicContact CD2-CB 4.48Å; F329-R359 HydrophobicContact CE2-CB 3.71Å; R359-V367 WeakPolarHBondContact CA-O 3.16Å; R359-K368 HydrophobicContact CB-CG 4.2Å; R359-K368 HydrophobicContact CG-CG 4.06Å; R359-E630 IonicContact CZ-OE2 3.35Å; R359-E630 PolarHBondContact NE-O 3.08Å; R359-E630 IonicContact NH2-OE2 3.03Å; R359-E630 PolarHBondContact NH2-OE2 2.86Å
360	A	94.5	Very high	91.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.2	170.6	0	0	0	0	0	109.3	V317 P323 K325 Y326 A366 V367	V317-A360 HydrophobicContact CB-CB 3.96Å; V317-A360 HydrophobicContact CG1-CB 3.98Å; V317-A360 HydrophobicContact CG2-CB 3.68Å; P323-A360 HydrophobicContact CB-CB 4.02Å; P323-A360 HydrophobicContact CG-CB 4.49Å; K325-A360 CarbonylContact O-C 3.56Å; K325-A360 WeakPolarHBondContact O-CA 3.48Å; Y326-A360 HydrophobicContact CD1-CB 3.88Å; Y326-A360 HydrophobicContact CE1-CB 3.69Å; A360-A366 CarbonylContact O-C 3.53Å; A360-A366 WeakPolarHBondContact O-CA 3.43Å; A360-V367 HydrophobicContact CB-CG1 4.31Å; A360-V367 PolarHBondContact N-O 2.77Å; A360-V367 PolarHBondContact O-N 2.82Å
361	S	93.3	Very high	91.8	Very high	23 Å²	23	41.7 Å²	41.7	16%	0.161	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	156.1	174.4	61	0	0	0	0	112.1	N324 K325 G365	N324-S361 PolarHBondContact N-O 2.89Å; N324-S361 PolarHBondContact OD1-O 2.96Å; K325-S361 PolarHBondContact N-O 3.2Å; K325-S361 VanDerWaalsContact N-O 3.14Å; K325-S361 PolarHBondContact O-N 3.32Å; S361-G365 WeakPolarHBondContact CA-O 3.43Å
362	G	88.6	Confident	91.7	Very high	17 Å²	17	33.1 Å²	33.1	18%	0.175	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-172.9	-179.6	0	0	0	0	0	112.1	N324 S364 G365	N324-G362 WeakPolarHBondContact OD1-CA 3.4Å; G362-S364 PolarHBondContact O-N 3.38Å; G362-G365 PolarHBondContact N-O 3.32Å; G362-G365 PolarHBondContact O-N 2.85Å; G362-G365 VanDerWaalsContact O-N 3.11Å; G362-G365 VanDerWaalsContact O-O 3.06Å
363	P	83.9	Confident	91.7	Very high	95 Å²	95	33.6 Å²	33.6	62%	0.617	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-30	179.2	-24.8	34.9	0	0	0	113.7	G365	P363-G365 VanDerWaalsContact C-N 3.28Å; P363-G365 PolarHBondContact O-N 3.4Å
364	S	83.6	Confident	91.6	Very high	21 Å²	21	32 Å²	32	15%	0.147	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	10.4	-180	-55.5	0	0	0	0	114.3	E292 T320 P321 G362	E292-S364 VanDerWaalsContact O-CB 3.24Å; E292-S364 WeakPolarHBondContact O-CB 3.09Å; E292-S364 PolarHBondContact O-OG 3.02Å; T320-S364 PolarHBondContact O-OG 2.88Å; T320-S364 VanDerWaalsContact O-OG 3.09Å; P321-S364 VanDerWaalsContact CD-OG 3.28Å; P321-S364 WeakPolarHBondContact CD-OG 3.47Å; G362-S364 PolarHBondContact O-N 3.38Å
365	G	88.6	Confident	91.6	Very high	35 Å²	35	35.8 Å²	35.8	36%	0.361	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	112.6	-157.5	178.9	0	0	0	0	0	113.4	L294 S361 G362 P363	L294-G365 VanDerWaalsContact CD1-O 3.24Å; L294-G365 WeakPolarHBondContact CD1-O 3.49Å; S361-G365 WeakPolarHBondContact CA-O 3.43Å; G362-G365 PolarHBondContact N-O 3.32Å; G362-G365 PolarHBondContact O-N 2.85Å; G362-G365 VanDerWaalsContact O-N 3.11Å; G362-G365 VanDerWaalsContact O-O 3.06Å; P363-G365 VanDerWaalsContact C-N 3.28Å; P363-G365 PolarHBondContact O-N 3.4Å
366	A	92.1	Very high	91.4	Very high	7 Å²	7	34 Å²	34	6%	0.058	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	158.1	176.3	0	0	0	0	0	110.6	A360 I627 G631	A360-A366 CarbonylContact O-C 3.53Å; A360-A366 WeakPolarHBondContact O-CA 3.43Å; A366-I627 WeakPolarHBondContact O-CG2 3.44Å; A366-G631 VanDerWaalsContact C-CA 3.49Å; A366-G631 WeakPolarHBondContact O-CA 3.04Å
367	V	92.9	Very high	91.2	Very high	7 Å²	7	34 Å²	34	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	141.8	173	68	0	0	0	0	110	L294 V296 V317 R359 A360 I627	L294-V367 HydrophobicContact CB-CB 4.19Å; L294-V367 HydrophobicContact CB-CG1 3.74Å; V296-V367 HydrophobicContact CG2-CG1 4.13Å; V296-V367 HydrophobicContact CG2-CG2 3.76Å; V317-V367 HydrophobicContact CB-CG1 4.46Å; V317-V367 HydrophobicContact CG1-CG1 3.59Å; V317-V367 HydrophobicContact CG2-CG1 3.97Å; R359-V367 WeakPolarHBondContact CA-O 3.16Å; A360-V367 HydrophobicContact CB-CG1 4.31Å; A360-V367 PolarHBondContact N-O 2.77Å; A360-V367 PolarHBondContact O-N 2.82Å; V367-I627 HydrophobicContact CG2-CD1 3.9Å
368	K	92.8	Very high	90.9	Very high	59 Å²	59	33.7 Å²	33.7	26%	0.257	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142.8	174.2	-62.5	-179.1	-170.7	168.7	0	110.8	Y357 C358 R359 G631 D632	Y357-K368 HydrophobicContact CE2-CD 4.27Å; C358-K368 WeakPolarHBondContact O-CA 3.22Å; R359-K368 HydrophobicContact CB-CG 4.2Å; R359-K368 HydrophobicContact CG-CG 4.06Å; K368-G631 PolarHBondContact N-O 3.45Å; K368-G631 VanDerWaalsContact N-O 3.12Å; K368-D632 VanDerWaalsContact CD-OD1 3.3Å; K368-D632 WeakPolarHBondContact CD-OD1 3.21Å; K368-D632 WeakPolarHBondContact CE-OD1 3.42Å; K368-D632 IonicContact NZ-OD1 3.05Å; K368-D632 PolarHBondContact NZ-OD1 3.09Å; K368-D632 IonicContact NZ-OD2 3.93Å; K368-D632 PolarHBondContact NZ-OD2 3.02Å
369	S	92.4	Very high	90.4	Very high	9 Å²	9	41.8 Å²	41.8	6%	0.063	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-76	164.3	167.8	70.9	0	0	0	0	111.2	N299 P300 C358	N299-S369 WeakPolarHBondContact OD1-CA 3.14Å; N299-S369 VanDerWaalsContact OD1-CB 3.25Å; N299-S369 WeakPolarHBondContact OD1-CB 3.44Å; P300-S369 WeakPolarHBondContact CD-OG 3.33Å; C358-S369 PolarHBondContact N-OG 3.26Å; C358-S369 PolarHBondContact O-N 2.77Å; C358-S369 WeakPolarHBondContact SG-CB 3.42Å; C358-S369 PolarHBondContact SG-OG 3.31Å; C358-S369 VanDerWaalsContact SG-OG 3.32Å
370	K	87.9	Confident	89.8	Confident	102 Å²	102	48.8 Å²	48.8	44%	0.443	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-63.3	149.6	162	-70.1	-162.1	-168.6	167.2	0	110.9	N299 P300 E517	N299-K370 PolarHBondContact OD1-N 2.94Å; P300-K370 WeakPolarHBondContact CG-O 3.48Å; K370-E517 HydrophobicContact CD-CG 4.4Å; K370-E517 WeakPolarHBondContact CD-OE1 3.45Å; K370-E517 WeakPolarHBondContact CD-OE2 3.18Å; K370-E517 WeakPolarHBondContact CE-OE2 3.31Å; K370-E517 VanDerWaalsContact CG-OE2 3.31Å; K370-E517 WeakPolarHBondContact CG-OE2 3.42Å; K370-E517 IonicContact NZ-OE2 2.77Å
371	P	90.8	Very high	89.4	Confident	72 Å²	72	54.2 Å²	54.2	47%	0.468	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-74.1	139.8	174.6	30.2	-33.3	0	0	0	111.6	E355 Y356 Y357	E355-P371 HydrophobicContact CB-CB 4.35Å; Y356-P371 CarbonylContact O-C 3.23Å; Y356-P371 WeakPolarHBondContact O-CA 3.34Å; Y357-P371 HydrophobicContact CD1-CB 4.48Å
372	A	91.5	Very high	88.9	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.1	169.4	0	0	0	0	0	110.2	P300 F313 E355 Y356	P300-A372 HydrophobicContact CB-CB 3.67Å; P300-A372 HydrophobicContact CG-CB 3.83Å; P300-A372 WeakPolarHBondContact O-CB 3.27Å; F313-A372 HydrophobicContact CD1-CB 4.03Å; F313-A372 HydrophobicContact CE1-CB 3.91Å; E355-A372 CarbonylContact C-O 3.47Å; E355-A372 WeakPolarHBondContact CA-O 3.44Å; Y356-A372 PolarHBondContact N-O 3.04Å; Y356-A372 PolarHBondContact O-N 3.43Å
373	T	91.9	Very high	88.8	Confident	65 Å²	65	59.8 Å²	59.8	40%	0.399	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.5	179.1	-47.3	0	0	0	0	110.9	S302 K303 G354	S302-T373 CarbonylContact C-O 3.52Å; S302-T373 VanDerWaalsContact CA-O 3.26Å; S302-T373 WeakPolarHBondContact CA-O 3.4Å; S302-T373 WeakPolarHBondContact CB-O 3.41Å; S302-T373 PolarHBondContact OG-N 2.77Å; K303-T373 PolarHBondContact N-O 2.77Å; G354-T373 CarbonylContact O-C 3.59Å; G354-T373 WeakPolarHBondContact O-CA 3.48Å
374	L	93.1	Very high	89	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.5	167.8	-172.7	56.6	0	0	0	110	K303 R305 A311 F313 L345 L348 A353 G354 Y356 I376	K303-L374 HydrophobicContact CB-CD1 4.17Å; K303-L374 WeakPolarHBondContact O-CA 3.25Å; R305-L374 HydrophobicContact CG-CD1 4.41Å; A311-L374 HydrophobicContact CB-CD1 4.21Å; F313-L374 HydrophobicContact CE2-CB 4.42Å; F313-L374 HydrophobicContact CE2-CD2 4.27Å; F313-L374 HydrophobicContact CZ-CB 3.9Å; F313-L374 HydrophobicContact CZ-CD1 4.1Å; F313-L374 HydrophobicContact CZ-CD2 4.43Å; F313-L374 HydrophobicContact CZ-CG 4.35Å; L345-L374 HydrophobicContact CD1-CD2 3.8Å; L348-L374 HydrophobicContact CD1-CD1 4.47Å; L348-L374 HydrophobicContact CD1-CD2 4.49Å; L348-L374 HydrophobicContact CD2-CD2 3.81Å; A353-L374 WeakPolarHBondContact CA-O 3.32Å; G354-L374 PolarHBondContact N-O 3.45Å; G354-L374 VanDerWaalsContact N-O 3.09Å; G354-L374 PolarHBondContact O-N 3.09Å; Y356-L374 HydrophobicContact CD2-CB 4.07Å; Y356-L374 HydrophobicContact CE2-CB 3.77Å; Y356-L374 HydrophobicContact CE2-CD2 3.97Å; L374-I376 HydrophobicContact CD2-CD1 4.16Å; L374-I376 HydrophobicContact CD2-CG1 4.35Å; L374-I376 HydrophobicContact CG-CD1 4.38Å; L374-I376 HydrophobicContact CG-CG1 4.07Å
375	K	91.9	Very high	89.3	Confident	96 Å²	96	59.3 Å²	59.3	42%	0.417	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.5	170.5	-172.9	178.2	179.1	-174.7	0	109.6	K303 A304 R305	K303-K375 PolarHBondContact O-N 2.86Å; A304-K375 CarbonylContact C-O 3.56Å; A304-K375 WeakPolarHBondContact CA-O 3.47Å; A304-K375 HydrophobicContact CB-CB 4.4Å; R305-K375 PolarHBondContact N-O 2.93Å
376	I	92	Very high	89.3	Confident	25 Å²	25	60.1 Å²	60.1	13%	0.128	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.9	178.4	-57.8	174.6	0	0	0	108.3	R305 E307 L348 H349 Q352 A353 L374	R305-I376 CarbonylContact O-C 3.56Å; R305-I376 WeakPolarHBondContact O-CA 3.33Å; E307-I376 HydrophobicContact CB-CG2 4.4Å; L348-I376 HydrophobicContact CB-CD1 4.17Å; L348-I376 HydrophobicContact CD2-CD1 4.27Å; H349-I376 WeakPolarHBondContact O-CD1 3.36Å; Q352-I376 HydrophobicContact CB-CD1 4.03Å; A353-I376 HydrophobicContact CB-CB 4.47Å; A353-I376 HydrophobicContact CB-CD1 4.22Å; A353-I376 HydrophobicContact CB-CG1 4.26Å; L374-I376 HydrophobicContact CD2-CD1 4.16Å; L374-I376 HydrophobicContact CD2-CG1 4.35Å; L374-I376 HydrophobicContact CG-CD1 4.38Å; L374-I376 HydrophobicContact CG-CG1 4.07Å
377	I	90.3	Very high	89.3	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.5	-178.6	-62.1	157	0	0	0	108.1	R305 R306 E307 E381 A420	R305-I377 PolarHBondContact O-N 2.9Å; R306-I377 WeakPolarHBondContact CA-O 3.16Å; E307-I377 PolarHBondContact N-O 3.45Å; I377-E381 HydrophobicContact CG2-CB 3.83Å; I377-E381 HydrophobicContact CG2-CG 4.18Å; I377-A420 HydrophobicContact CD1-CB 3.7Å
378	G	87	Confident	89.2	Confident	22 Å²	22	65.4 Å²	65.4	23%	0.227	33%	0.332	C	S	.	.			trans	-58.6	157.8	178	0	0	0	0	0	112.9	R306 E380 E381	R306-G378 PolarHBondContact NH1-O 2.72Å; R306-G378 VanDerWaalsContact NH1-O 3.09Å; G378-E380 VanDerWaalsContact C-N 3.29Å; G378-E380 PolarHBondContact O-N 3.06Å; G378-E381 PolarHBondContact N-OE2 3.19Å; G378-E381 PolarHBondContact O-N 3.01Å
379	R	83.6	Confident	89	Confident	170 Å²	170	66.8 Å²	66.8	64%	0.642	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-41.6	-177.7	-69.1	-174.2	178.2	176.9	2.2	113.4	R306 E307	R306-R379 PolarHBondContact NH1-O 2.89Å; E307-R379 HydrophobicContact CB-CG 4.16Å
380	E	82.8	Confident	88.8	Confident	193 Å²	193	70.1 Å²	70.1	90%	0.902	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	3.1	-179.3	-60.9	-169.6	170.2	0	0	113.5	G378	G378-E380 VanDerWaalsContact C-N 3.29Å; G378-E380 PolarHBondContact O-N 3.06Å
381	E	85.6	Confident	88.6	Confident	113 Å²	113	68.3 Å²	68.3	53%	0.528	36%	0.356	S	S	.	.	S	Bend	trans	-80.9	139.1	-177.7	-170	-177.8	-177.1	0	0	111.3	R306 I377 G378 S383	R306-E381 PolarHBondContact NH1-O 2.91Å; R306-E381 PolarHBondContact NH2-O 2.9Å; I377-E381 HydrophobicContact CG2-CB 3.83Å; I377-E381 HydrophobicContact CG2-CG 4.18Å; G378-E381 PolarHBondContact N-OE2 3.19Å; G378-E381 PolarHBondContact O-N 3.01Å; E381-S383 PolarHBondContact O-N 2.55Å
382	H	84	Confident	88.2	Confident	147 Å²	147	69 Å²	69	68%	0.681	36%	0.355	S	S	*	.			trans	-66.5	130.3	172.3	-66.6	-71.3	0	0	0	110	C384	H382-C384 WeakPolarHBondContact CB-O 3.28Å; H382-C384 PolarHBondContact O-N 2.89Å
383	S	85.3	Confident	87.6	Confident	11 Å²	11	70.8 Å²	70.8	8%	0.077	36%	0.364	C	S	.	.	S	Bend	trans	-68.7	-22.8	-178.1	-53.8	0	0	0	0	113.7	R306 E381 A420	R306-S383 PolarHBondContact NH2-OG 2.87Å; E381-S383 PolarHBondContact O-N 2.55Å; S383-A420 PolarHBondContact OG-O 2.99Å
384	C	88.3	Confident	87	Confident	11 Å²	11	69.7 Å²	69.7	7%	0.074	35%	0.352	C	S	.	.	S	Bend	trans	-128.6	146.8	177.9	-61	0	0	0	0	108.8	H382 P386 C419 C437	H382-C384 WeakPolarHBondContact CB-O 3.28Å; H382-C384 PolarHBondContact O-N 2.89Å; C384-P386 WeakPolarHBondContact O-CD 3.01Å; C384-C419 VanDerWaalsContact SG-CB 3.51Å; C384-C437 VanDerWaalsContact CA-SG 3.51Å; C384-C437 HydrophobicContact CB-CB 3.79Å; C384-C437 WeakPolarHBondContact CB-SG 3.33Å; C384-C437 WeakPolarHBondContact SG-CA 3.48Å; C384-C437 WeakPolarHBondContact SG-CB 3.49Å; C384-C437 CovalentContact SG-SG 2.04Å; C384-C437 PolarHBondContact SG-SG 2.94Å
385	N	89.5	Confident	86.6	Confident	95 Å²	95	69.7 Å²	69.7	51%	0.508	35%	0.352	S	S	.	.			trans	-66.6	119.8	170.5	-176.5	-1.2	0	0	0	108.6	T387 C462	N385-T387 VanDerWaalsContact C-N 3.27Å; N385-T387 PolarHBondContact ND2-OG1 3.21Å; N385-T387 PolarHBondContact O-N 2.87Å; N385-T387 PolarHBondContact OD1-N 3.41Å; N385-T387 VanDerWaalsContact OD1-N 3.12Å; N385-T387 PolarHBondContact OD1-OG1 2.73Å; N385-C462 VanDerWaalsContact O-CB 3.25Å; N385-C462 WeakPolarHBondContact O-CB 3.27Å
386	P	89.2	Confident	86.2	Confident	52 Å²	52	65.1 Å²	65.1	34%	0.338	33%	0.332	S	S	.	.	S	Bend	trans	-70.9	-22.2	-178.1	28.4	-35.4	0	0	0	113.2	C384 P388 C462	C384-P386 WeakPolarHBondContact O-CD 3.01Å; P386-P388 WeakPolarHBondContact O-CD 3.01Å; P386-C462 PolarHBondContact O-N 2.81Å
387	T	92.5	Very high	85.6	Confident	85 Å²	85	68.3 Å²	68.3	52%	0.521	35%	0.347	S	S	.	.	S	Bend	trans	-82.7	124.4	-179.7	61.4	0	0	0	0	111	N385	N385-T387 VanDerWaalsContact C-N 3.27Å; N385-T387 PolarHBondContact ND2-OG1 3.21Å; N385-T387 PolarHBondContact O-N 2.87Å; N385-T387 PolarHBondContact OD1-N 3.41Å; N385-T387 VanDerWaalsContact OD1-N 3.12Å; N385-T387 PolarHBondContact OD1-OG1 2.73Å
388	P	90.7	Very high	85.3	Confident	40 Å²	40	69.6 Å²	69.6	26%	0.26	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-64.1	144.9	176	-20.3	32.9	0	0	0	112.5	P386 K413 V459	P386-P388 WeakPolarHBondContact O-CD 3.01Å; P388-K413 CarbonylContact C-O 3.57Å; P388-K413 WeakPolarHBondContact CA-O 3.47Å; P388-V459 HydrophobicContact CB-CB 4.47Å; P388-V459 HydrophobicContact CB-CG1 4.02Å; P388-V459 HydrophobicContact CG-CB 4.46Å; P388-V459 HydrophobicContact CG-CG1 3.8Å
389	E	89.3	Confident	85.2	Confident	88 Å²	88	68.6 Å²	68.6	41%	0.411	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-78.6	152.3	168.6	-68.9	-178.4	179.8	0	0	110.7	H391 G412 K413 P415	E389-H391 PolarHBondContact O-N 3.41Å; E389-G412 CarbonylContact O-C 3.48Å; E389-G412 VanDerWaalsContact O-CA 3.27Å; E389-G412 WeakPolarHBondContact O-CA 3.48Å; E389-K413 HydrophobicContact CB-CG 4Å; E389-K413 PolarHBondContact N-O 2.67Å; E389-K413 PolarHBondContact O-N 2.57Å; E389-K413 VanDerWaalsContact OE2-CE 3.27Å; E389-K413 WeakPolarHBondContact OE2-CE 3.08Å; E389-K413 IonicContact OE2-NZ 2.61Å; E389-P415 HydrophobicContact CG-CG 4.31Å
390	S	86.7	Confident	85.2	Confident	78 Å²	78	64.5 Å²	64.5	55%	0.545	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62.2	131.7	175.5	-175	0	0	0	0	111.5	D410	S390-D410 WeakPolarHBondContact CA-OD1 3.45Å; S390-D410 WeakPolarHBondContact CA-OD2 3.31Å; S390-D410 WeakPolarHBondContact CB-OD2 3.41Å; S390-D410 VanDerWaalsContact OG-CG 3.25Å; S390-D410 PolarHBondContact OG-OD2 3.36Å
391	H	84.1	Confident	85.4	Confident	65 Å²	65	56.2 Å²	56.2	30%	0.301	29%	0.289	S	S	.	.			trans	-139.7	103.6	174.8	-178	-109.7	0	0	0	110.4	E389 D410 V411 K413	E389-H391 PolarHBondContact O-N 3.41Å; H391-D410 PolarHBondContact N-OD1 2.04Å; H391-D410 WeakPolarHBondContact O-CA 3.39Å; H391-V411 HydrophobicContact CB-CG2 4.47Å; H391-V411 WeakPolarHBondContact O-CG2 3.36Å; H391-V411 PolarHBondContact O-N 3.46Å; H391-K413 HydrophobicContact CB-CB 3.8Å; H391-K413 HydrophobicContact CB-CD 3.98Å; H391-K413 HydrophobicContact CB-CG 3.83Å
392	L	82.8	Confident	85.2	Confident	87 Å²	87	57.6 Å²	57.6	46%	0.455	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.5	-177.4	-63.2	176.2	0	0	0	111.1	Y408 Y409 D410	L392-Y408 HydrophobicContact CB-CD1 4.45Å; L392-Y409 WeakPolarHBondContact CA-O 3.33Å; L392-D410 HydrophobicContact CD2-CB 3.8Å
393	I	79.7	Confident	85	Confident	38 Å²	38	55.6 Å²	55.6	20%	0.195	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	149.8	165.6	62.2	165.1	0	0	0	110.2	L395 Y408 Y409 V411 T456	I393-L395 HydrophobicContact CD1-CD2 4.42Å; I393-Y408 VanDerWaalsContact O-CA 3.3Å; I393-Y408 WeakPolarHBondContact O-CA 3.27Å; I393-Y409 WeakPolarHBondContact CG1-O 3.5Å; I393-Y409 PolarHBondContact N-O 3.02Å; I393-Y409 PolarHBondContact O-N 3.21Å; I393-V411 HydrophobicContact CD1-CG1 3.61Å; I393-V411 HydrophobicContact CG1-CG1 3.8Å; I393-V411 HydrophobicContact CG1-CG2 4.48Å; I393-V411 HydrophobicContact CG2-CG1 4.49Å; I393-V411 HydrophobicContact CG2-CG2 3.72Å; I393-T456 HydrophobicContact CD1-CG2 3.97Å
394	R	79.3	Confident	84.8	Confident	42 Å²	42	58.5 Å²	58.5	16%	0.158	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.6	173.3	-175.9	169.6	171.7	-176	-13.5	109.9	H397 Y408 Y904 Y906	R394-H397 PolarHBondContact NH2-CE1 2.85Å; R394-H397 PolarHBondContact NH2-NE2 2.8Å; R394-Y408 HydrophobicContact CB-CD1 4.14Å; R394-Y408 HydrophobicContact CB-CE1 3.84Å; R394-Y408 HydrophobicContact CG-CE1 4.14Å; R394-Y904 PolarHBondContact NH1-OH 2.77Å; R394-Y904 VanDerWaalsContact NH1-OH 3.08Å; R394-Y904 PolarHBondContact NH2-OH 2.79Å; R394-Y906 VanDerWaalsContact O-CD1 3.29Å; R394-Y906 WeakPolarHBondContact O-CD1 3.21Å; R394-Y906 WeakPolarHBondContact O-CE1 3.32Å
395	L	84.1	Confident	84.6	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-89.7	160.7	175.8	-61.2	179.9	0	0	0	111.7	I393 C399 Q401 F407 L447 L454	I393-L395 HydrophobicContact CD1-CD2 4.42Å; L395-C399 HydrophobicContact CB-CB 4.19Å; L395-Q401 HydrophobicContact CD1-CG 3.41Å; L395-Q401 VanDerWaalsContact CD1-CG 3.41Å; L395-F407 WeakPolarHBondContact CB-O 3.32Å; L395-F407 PolarHBondContact N-O 2.9Å; L395-L447 HydrophobicContact CD1-CD1 4.22Å; L395-L447 HydrophobicContact CD2-CD1 3.53Å; L395-L454 HydrophobicContact CD2-CD2 4.32Å
396	P	83.3	Confident	84.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-51.1	147.3	172.2	-26.9	34.9	0	0	0	112.8	D398 C399 L454 Y906 L969	P396-D398 WeakPolarHBondContact CB-OD1 3.34Å; P396-D398 PolarHBondContact O-N 3.05Å; P396-C399 HydrophobicContact CB-CB 4.06Å; P396-C399 HydrophobicContact CG-CB 4.32Å; P396-C399 WeakPolarHBondContact O-CA 3.37Å; P396-C399 WeakPolarHBondContact O-CB 3.2Å; P396-C399 PolarHBondContact O-N 3.21Å; P396-L454 HydrophobicContact CG-CD2 4.4Å; P396-Y906 WeakPolarHBondContact CA-OH 3.47Å; P396-Y906 HydrophobicContact CB-CE1 4.35Å; P396-Y906 HydrophobicContact CB-CE2 4.27Å; P396-Y906 HydrophobicContact CG-CD1 3.86Å; P396-Y906 HydrophobicContact CG-CD2 3.95Å; P396-Y906 HydrophobicContact CG-CE1 3.91Å; P396-Y906 HydrophobicContact CG-CE2 3.97Å; P396-Y906 HydrophobicContact CG-CG 3.85Å; P396-Y906 VanDerWaalsContact N-CE1 3.25Å; P396-L969 HydrophobicContact CG-CD1 4.46Å
397	H	80.1	Confident	84.1	Confident	93 Å²	93	61.6 Å²	61.6	43%	0.431	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.8	179.9	-77.5	-78.3	0	0	0	114	R394 F407 Y904	R394-H397 PolarHBondContact NH2-CE1 2.85Å; R394-H397 PolarHBondContact NH2-NE2 2.8Å; H397-F407 WeakPolarHBondContact O-CE1 3.47Å; H397-Y904 AromaticContact NE2-CE2 3.51Å; H397-Y904 AromaticContact NE2-CZ 3.94Å
398	D	82.4	Confident	83.7	Confident	31 Å²	31	60.5 Å²	60.5	17%	0.166	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5.1	175.2	55.2	-40.8	0	0	0	113.1	P396 Q450 Y452 R951	P396-D398 WeakPolarHBondContact CB-OD1 3.34Å; P396-D398 PolarHBondContact O-N 3.05Å; D398-Q450 HydrophobicContact CB-CB 4.37Å; D398-Q450 WeakPolarHBondContact O-CB 3.17Å; D398-Q450 WeakPolarHBondContact O-CG 3.09Å; D398-Q450 PolarHBondContact O-N 2.74Å; D398-Y452 VanDerWaalsContact OD2-CE1 3.28Å; D398-Y452 WeakPolarHBondContact OD2-CE1 3.4Å; D398-Y452 PolarHBondContact OD2-OH 3.44Å; D398-R951 IonicContact OD1-CZ 2.77Å; D398-R951 IonicContact OD1-NH1 3.13Å; D398-R951 IonicContact OD1-NH2 3.61Å; D398-R951 PolarHBondContact OD1-NH2 3.35Å; D398-R951 IonicContact OD2-CZ 3.93Å; D398-R951 IonicContact OD2-NH1 2.68Å; D398-R951 PolarHBondContact OD2-NH1 2.89Å; D398-R951 IonicContact OD2-NH2 3.71Å
399	C	84.8	Confident	83.5	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.316	C	S	.	.			trans	-121.6	58.1	-176.9	-158.9	0	0	0	0	112.4	L395 P396 Q401 C449	L395-C399 HydrophobicContact CB-CB 4.19Å; P396-C399 HydrophobicContact CB-CB 4.06Å; P396-C399 HydrophobicContact CG-CB 4.32Å; P396-C399 WeakPolarHBondContact O-CA 3.37Å; P396-C399 WeakPolarHBondContact O-CB 3.2Å; P396-C399 PolarHBondContact O-N 3.21Å; C399-Q401 PolarHBondContact SG-NE2 3.27Å; C399-C449 HydrophobicContact CB-CB 3.54Å; C399-C449 WeakPolarHBondContact CB-SG 3.31Å; C399-C449 VanDerWaalsContact SG-CA 3.54Å; C399-C449 WeakPolarHBondContact SG-CB 3.35Å; C399-C449 CovalentContact SG-SG 2.04Å; C399-C449 PolarHBondContact SG-SG 3.43Å
400	Y	85.6	Confident	83.4	Confident	85 Å²	85	59.8 Å²	59.8	33%	0.333	31%	0.312	S	S	.	.			trans	-73.1	125.8	175.4	-169.9	-103.9	0	0	0	111.5	N402 N405 F407	Y400-N402 PolarHBondContact O-N 3.09Å; Y400-N405 PolarHBondContact OH-O 2.78Å; Y400-N405 VanDerWaalsContact OH-O 3.13Å; Y400-N405 PolarHBondContact OH-OD1 2.82Å; Y400-F407 AromaticContact CD2-CD1 3.97Å; Y400-F407 HydrophobicContact CD2-CD1 3.97Å; Y400-F407 AromaticContact CD2-CD2 3.72Å; Y400-F407 HydrophobicContact CD2-CD2 3.72Å; Y400-F407 AromaticContact CD2-CE1 3.73Å; Y400-F407 HydrophobicContact CD2-CE1 3.73Å; Y400-F407 AromaticContact CD2-CE2 3.49Å; Y400-F407 HydrophobicContact CD2-CE2 3.49Å; Y400-F407 VanDerWaalsContact CD2-CE2 3.49Å; Y400-F407 AromaticContact CD2-CG 3.96Å; Y400-F407 HydrophobicContact CD2-CG 3.96Å; Y400-F407 AromaticContact CD2-CZ 3.49Å; Y400-F407 HydrophobicContact CD2-CZ 3.49Å; Y400-F407 VanDerWaalsContact CD2-CZ 3.49Å; Y400-F407 HydrophobicContact CE2-CD2 4.1Å; Y400-F407 AromaticContact CE2-CE2 3.97Å; Y400-F407 HydrophobicContact CE2-CE2 3.97Å; Y400-F407 HydrophobicContact CE2-CZ 4.39Å; Y400-F407 HydrophobicContact CG-CE1 4.2Å; Y400-F407 HydrophobicContact CG-CZ 4.16Å
401	Q	86.3	Confident	83.5	Confident	18 Å²	18	56 Å²	56	8%	0.084	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-88.3	108.6	178.4	-63	-56.2	-51	0	0	110.2	L395 C399 S403 T404 N405 S406 T448	L395-Q401 HydrophobicContact CD1-CG 3.41Å; L395-Q401 VanDerWaalsContact CD1-CG 3.41Å; C399-Q401 PolarHBondContact SG-NE2 3.27Å; Q401-S403 PolarHBondContact O-N 3.07Å; Q401-T404 WeakPolarHBondContact CB-OG1 3.5Å; Q401-T404 PolarHBondContact O-N 3.33Å; Q401-N405 WeakPolarHBondContact O-CA 3.41Å; Q401-N405 PolarHBondContact O-N 2.82Å; Q401-S406 PolarHBondContact N-O 3.29Å; Q401-S406 PolarHBondContact O-N 3.45Å; Q401-T448 PolarHBondContact NE2-O 3.5Å
402	N	81.6	Confident	83.6	Confident	142 Å²	142	53.5 Å²	53.5	76%	0.759	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-29.2	178.1	-69.4	-26	0	0	0	112.7	Y400	Y400-N402 PolarHBondContact O-N 3.09Å
403	S	80.4	Confident	83.8	Confident	105 Å²	105	53.6 Å²	53.6	73%	0.734	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-39.8	179.8	50.7	0	0	0	0	113	Q401	Q401-S403 PolarHBondContact O-N 3.07Å
404	T	79.6	Confident	84.1	Confident	73 Å²	73	52.7 Å²	52.7	45%	0.448	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-3.1	179.9	62.3	0	0	0	0	113.1	Q401 S406	Q401-T404 WeakPolarHBondContact CB-OG1 3.5Å; Q401-T404 PolarHBondContact O-N 3.33Å; T404-S406 PolarHBondContact O-N 3.3Å; T404-S406 PolarHBondContact OG1-OG 2.78Å
405	N	84.9	Confident	84.2	Confident	120 Å²	120	52.6 Å²	52.6	64%	0.642	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	43.6	-175.4	-161.9	48.7	0	0	0	112.5	Y400 Q401	Y400-N405 PolarHBondContact OH-O 2.78Å; Y400-N405 VanDerWaalsContact OH-O 3.13Å; Y400-N405 PolarHBondContact OH-OD1 2.82Å; Q401-N405 WeakPolarHBondContact O-CA 3.41Å; Q401-N405 PolarHBondContact O-N 2.82Å
406	S	84.4	Confident	83.8	Confident	31 Å²	31	56.4 Å²	56.4	22%	0.217	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-153.2	162.6	-176.7	79.2	0	0	0	0	113.2	Q401 T404 Y408	Q401-S406 PolarHBondContact N-O 3.29Å; Q401-S406 PolarHBondContact O-N 3.45Å; T404-S406 PolarHBondContact O-N 3.3Å; T404-S406 PolarHBondContact OG1-OG 2.78Å; S406-Y408 PolarHBondContact OG-N 3.23Å; S406-Y408 PolarHBondContact OG-O 2.76Å
407	F	82.8	Confident	83.6	Confident	72 Å²	72	57.8 Å²	57.8	32%	0.316	32%	0.315	S	S	.	.	S	Bend	trans	-87.4	15.6	166.4	-71.3	-74.7	0	0	0	112.4	L395 H397 Y400	L395-F407 WeakPolarHBondContact CB-O 3.32Å; L395-F407 PolarHBondContact N-O 2.9Å; H397-F407 WeakPolarHBondContact O-CE1 3.47Å; Y400-F407 AromaticContact CD2-CD1 3.97Å; Y400-F407 HydrophobicContact CD2-CD1 3.97Å; Y400-F407 AromaticContact CD2-CD2 3.72Å; Y400-F407 HydrophobicContact CD2-CD2 3.72Å; Y400-F407 AromaticContact CD2-CE1 3.73Å; Y400-F407 HydrophobicContact CD2-CE1 3.73Å; Y400-F407 AromaticContact CD2-CE2 3.49Å; Y400-F407 HydrophobicContact CD2-CE2 3.49Å; Y400-F407 VanDerWaalsContact CD2-CE2 3.49Å; Y400-F407 AromaticContact CD2-CG 3.96Å; Y400-F407 HydrophobicContact CD2-CG 3.96Å; Y400-F407 AromaticContact CD2-CZ 3.49Å; Y400-F407 HydrophobicContact CD2-CZ 3.49Å; Y400-F407 VanDerWaalsContact CD2-CZ 3.49Å; Y400-F407 HydrophobicContact CE2-CD2 4.1Å; Y400-F407 AromaticContact CE2-CE2 3.97Å; Y400-F407 HydrophobicContact CE2-CE2 3.97Å; Y400-F407 HydrophobicContact CE2-CZ 4.39Å; Y400-F407 HydrophobicContact CG-CE1 4.2Å; Y400-F407 HydrophobicContact CG-CZ 4.16Å
408	Y	84.7	Confident	83.9	Confident	62 Å²	62	56.5 Å²	56.5	24%	0.243	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.3	-178.6	-64.8	-84.9	0	0	0	110	L392 I393 R394 S406	L392-Y408 HydrophobicContact CB-CD1 4.45Å; I393-Y408 VanDerWaalsContact O-CA 3.3Å; I393-Y408 WeakPolarHBondContact O-CA 3.27Å; R394-Y408 HydrophobicContact CB-CD1 4.14Å; R394-Y408 HydrophobicContact CB-CE1 3.84Å; R394-Y408 HydrophobicContact CG-CE1 4.14Å; S406-Y408 PolarHBondContact OG-N 3.23Å; S406-Y408 PolarHBondContact OG-O 2.76Å
409	Y	86.5	Confident	84.1	Confident	50 Å²	50	55.3 Å²	55.3	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135	177.5	-167.9	-97.4	0	0	0	109.9	L392 I393 V411 L447 V458	L392-Y409 WeakPolarHBondContact CA-O 3.33Å; I393-Y409 WeakPolarHBondContact CG1-O 3.5Å; I393-Y409 PolarHBondContact N-O 3.02Å; I393-Y409 PolarHBondContact O-N 3.21Å; Y409-V411 HydrophobicContact CD1-CG1 4.05Å; Y409-V411 PolarHBondContact O-N 2.84Å; Y409-L447 HydrophobicContact CD1-CD1 4.12Å; Y409-L447 HydrophobicContact CD1-CD2 4.2Å; Y409-L447 HydrophobicContact CD2-CD1 4.43Å; Y409-L447 HydrophobicContact CD2-CD2 3.76Å; Y409-L447 HydrophobicContact CE1-CD2 3.97Å; Y409-L447 HydrophobicContact CE2-CD2 3.51Å; Y409-L447 HydrophobicContact CG-CD1 4.03Å; Y409-L447 HydrophobicContact CG-CD2 4.09Å; Y409-V458 HydrophobicContact CE1-CG2 3.92Å
410	D	87.6	Confident	84.2	Confident	62 Å²	62	55.7 Å²	55.7	33%	0.332	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.7	179.2	-165.3	-9.8	0	0	0	109.9	S390 H391 L392 G412	S390-D410 WeakPolarHBondContact CA-OD1 3.45Å; S390-D410 WeakPolarHBondContact CA-OD2 3.31Å; S390-D410 WeakPolarHBondContact CB-OD2 3.41Å; S390-D410 VanDerWaalsContact OG-CG 3.25Å; S390-D410 PolarHBondContact OG-OD2 3.36Å; H391-D410 PolarHBondContact N-OD1 2.04Å; H391-D410 WeakPolarHBondContact O-CA 3.39Å; L392-D410 HydrophobicContact CD2-CB 3.8Å; D410-G412 PolarHBondContact OD1-N 3.43Å
411	V	87.8	Confident	84.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.304	C	S	.	.			trans	-99.2	-3.7	176.2	-65.9	0	0	0	0	112.7	H391 I393 Y409 T456 V458 V459 P910	H391-V411 HydrophobicContact CB-CG2 4.47Å; H391-V411 WeakPolarHBondContact O-CG2 3.36Å; H391-V411 PolarHBondContact O-N 3.46Å; I393-V411 HydrophobicContact CD1-CG1 3.61Å; I393-V411 HydrophobicContact CG1-CG1 3.8Å; I393-V411 HydrophobicContact CG1-CG2 4.48Å; I393-V411 HydrophobicContact CG2-CG1 4.49Å; I393-V411 HydrophobicContact CG2-CG2 3.72Å; Y409-V411 HydrophobicContact CD1-CG1 4.05Å; Y409-V411 PolarHBondContact O-N 2.84Å; V411-T456 HydrophobicContact CG1-CG2 3.59Å; V411-V458 HydrophobicContact CG1-CG2 4.42Å; V411-V458 WeakPolarHBondContact O-CA 2.99Å; V411-V458 WeakPolarHBondContact O-CG1 3.3Å; V411-V459 PolarHBondContact O-N 2.89Å; V411-P910 HydrophobicContact CB-CG 3.97Å; V411-P910 HydrophobicContact CG1-CG 4.13Å; V411-P910 HydrophobicContact CG2-CB 4.14Å; V411-P910 HydrophobicContact CG2-CG 3.91Å
412	G	87.8	Confident	83.8	Confident	11 Å²	11	60 Å²	60	11%	0.113	34%	0.339	C	S	.	.			trans	67.8	155.2	-173.6	0	0	0	0	0	113.4	E389 D410	E389-G412 CarbonylContact O-C 3.48Å; E389-G412 VanDerWaalsContact O-CA 3.27Å; E389-G412 WeakPolarHBondContact O-CA 3.48Å; D410-G412 PolarHBondContact OD1-N 3.43Å
413	K	86.5	Confident	83.4	Confident	89 Å²	89	55 Å²	55	39%	0.387	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-144.9	153.8	170.2	67.8	177.6	179.8	168.9	0	110.9	P388 E389 H391	P388-K413 CarbonylContact C-O 3.57Å; P388-K413 WeakPolarHBondContact CA-O 3.47Å; E389-K413 HydrophobicContact CB-CG 4Å; E389-K413 PolarHBondContact N-O 2.67Å; E389-K413 PolarHBondContact O-N 2.57Å; E389-K413 VanDerWaalsContact OE2-CE 3.27Å; E389-K413 WeakPolarHBondContact OE2-CE 3.08Å; E389-K413 IonicContact OE2-NZ 2.61Å; H391-K413 HydrophobicContact CB-CB 3.8Å; H391-K413 HydrophobicContact CB-CD 3.98Å; H391-K413 HydrophobicContact CB-CG 3.83Å
414	C	85.6	Confident	83.1	Confident	19 Å²	19	53.3 Å²	53.3	13%	0.128	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-99.5	120.3	169.8	-61.2	0	0	0	0	109.1	G438 V439 C462	C414-G438 PolarHBondContact SG-O 3.15Å; C414-V439 HydrophobicContact CB-CG2 4.35Å; C414-C462 WeakPolarHBondContact CA-SG 3.34Å; C414-C462 HydrophobicContact CB-CB 3.78Å; C414-C462 WeakPolarHBondContact CB-SG 3.44Å; C414-C462 WeakPolarHBondContact SG-CA 3.22Å; C414-C462 WeakPolarHBondContact SG-CB 3.11Å; C414-C462 CovalentContact SG-SG 2.02Å; C414-C462 PolarHBondContact SG-SG 3.31Å
415	P	81.4	Confident	82.6	Confident	41 Å²	41	57.9 Å²	57.9	27%	0.266	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-65.4	131.9	179	25.8	-33	0	0	0	110.1	E389 G417 C437	E389-P415 HydrophobicContact CG-CG 4.31Å; P415-G417 PolarHBondContact O-N 3.28Å; P415-C437 WeakPolarHBondContact O-CB 3.42Å
416	P	76.2	Confident	82.2	Confident	81 Å²	81	54.3 Å²	54.3	53%	0.526	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-69.6	132.3	177.8	28.4	-33.4	0	0	0	109.5
417	G	79.5	Confident	82.1	Confident	29 Å²	29	56.7 Å²	56.7	30%	0.299	31%	0.313	S	S	.	.			trans	-163.3	149.7	178	0	0	0	0	0	111.2	P415 C436 C437	P415-G417 PolarHBondContact O-N 3.28Å; G417-C436 CarbonylContact O-C 3.57Å; G417-C436 VanDerWaalsContact O-CA 3.28Å; G417-C436 WeakPolarHBondContact O-CA 3.37Å; G417-C437 PolarHBondContact O-N 2.78Å
418	T	84.6	Confident	82.3	Confident	66 Å²	66	58.1 Å²	58.1	41%	0.405	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-68.3	135.8	176	52.9	0	0	0	0	110.1
419	C	88.1	Confident	82.4	Confident	6 Å²	6	57.7 Å²	57.7	4%	0.041	32%	0.322	C	S	.	.			trans	-130.3	153.3	-178	64.4	0	0	0	0	111.4	C384 G421 Y435 C436 C464	C384-C419 VanDerWaalsContact SG-CB 3.51Å; C419-G421 PolarHBondContact O-N 3.01Å; C419-Y435 PolarHBondContact N-O 2.86Å; C419-Y435 WeakPolarHBondContact O-CB 3.29Å; C419-C436 PolarHBondContact SG-N 3.22Å; C419-C436 VanDerWaalsContact SG-N 3.37Å; C419-C436 PolarHBondContact SG-O 2.85Å; C419-C464 HydrophobicContact CB-CB 3.79Å; C419-C464 WeakPolarHBondContact CB-SG 3.47Å; C419-C464 WeakPolarHBondContact SG-CA 3.23Å; C419-C464 WeakPolarHBondContact SG-CB 3.41Å; C419-C464 CovalentContact SG-SG 2.03Å; C419-C464 PolarHBondContact SG-SG 3.49Å
420	A	86.9	Confident	82.3	Confident	7 Å²	7	59.5 Å²	59.5	6%	0.058	33%	0.33	C	S	.	.			trans	-81.9	85.1	177.1	0	0	0	0	0	109.7	R306 I377 S383	R306-A420 HydrophobicContact CG-CB 3.8Å; I377-A420 HydrophobicContact CD1-CB 3.7Å; S383-A420 PolarHBondContact OG-O 2.99Å
421	G	82.9	Confident	82.1	Confident	18 Å²	18	58 Å²	58	19%	0.186	32%	0.323	C	S	.	.			trans	-75.8	-164.1	172.1	0	0	0	0	0	113.3	C419 L423	C419-G421 PolarHBondContact O-N 3.01Å; G421-L423 PolarHBondContact O-N 3.07Å; G421-L423 VanDerWaalsContact O-N 3.09Å
422	Q	79.8	Confident	81.9	Confident	176 Å²	176	63 Å²	63	82%	0.822	35%	0.35	S	S	*	.	S	Bend	trans	-81.2	89.9	-179.2	-166.5	173.3	2.5	0	0	110.6	Y435	Q422-Y435 PolarHBondContact O-OH 3.34Å; Q422-Y435 VanDerWaalsContact O-OH 3.12Å
423	L	74.1	Confident	81.7	Confident	37 Å²	37	65.1 Å²	65.1	19%	0.194	36%	0.36	C	S	.	.			trans	-86.7	151.7	-178.6	-65.1	162.7	0	0	0	111.9	G421 Y435	G421-L423 PolarHBondContact O-N 3.07Å; G421-L423 VanDerWaalsContact O-N 3.09Å; L423-Y435 HydrophobicContact CD2-CD2 4.34Å; L423-Y435 HydrophobicContact CD2-CE2 4.41Å
424	D	74.1	Confident	81.5	Confident	69 Å²	69	63.4 Å²	63.4	37%	0.369	36%	0.362	S	S	.	.			trans	-74.2	150.5	167.2	60.5	-29.9	0	0	0	110.7	A426 R428	D424-A426 PolarHBondContact O-N 3.03Å; D424-A426 WeakPolarHBondContact OD2-CB 3.23Å; D424-R428 IonicContact OD2-CZ 2.69Å; D424-R428 IonicContact OD2-NE 2.83Å; D424-R428 PolarHBondContact OD2-NE 2.69Å; D424-R428 IonicContact OD2-NH2 3.45Å; D424-R428 PolarHBondContact OD2-NH2 3.42Å
425	N	68.4	Low	81.6	Confident	170 Å²	170	64.4 Å²	64.4	91%	0.909	36%	0.364	S	S	*	.	S	Bend	trans	-69.7	7.7	178.9	-74	-13.8	0	0	0	113.6
426	A	76.6	Confident	81.8	Confident	44 Å²	44	63.7 Å²	63.7	36%	0.364	36%	0.36	S	S	.	.			trans	-82.9	130.3	-176.6	0	0	0	0	0	111.4	D424 R428	D424-A426 PolarHBondContact O-N 3.03Å; D424-A426 WeakPolarHBondContact OD2-CB 3.23Å; A426-R428 HydrophobicContact CB-CG 4.19Å; A426-R428 PolarHBondContact O-N 3.19Å
427	I	83	Confident	82.4	Confident	82 Å²	82	60.7 Å²	60.7	42%	0.421	34%	0.34	S	S	.	.			trans	-82.4	107.2	175.3	-59	175.9	0	0	0	108.3	A312 V344	A312-I427 HydrophobicContact CB-CG2 3.47Å; A312-I427 VanDerWaalsContact CB-CG2 3.47Å; V344-I427 HydrophobicContact CG1-CD1 4.05Å; V344-I427 HydrophobicContact CG1-CG2 3.94Å; V344-I427 HydrophobicContact CG2-CG2 4.34Å
428	R	86.6	Confident	82.7	Confident	102 Å²	102	59.8 Å²	59.8	39%	0.385	33%	0.331	S	S	.	.			trans	-129.5	155.6	-179.1	-55.3	-178.1	-162	-144.5	-0.2	111.4	K303 D424 A426 K430 N432	K303-R428 PolarHBondContact NZ-O 3.13Å; D424-R428 IonicContact OD2-CZ 2.69Å; D424-R428 IonicContact OD2-NE 2.83Å; D424-R428 PolarHBondContact OD2-NE 2.69Å; D424-R428 IonicContact OD2-NH2 3.45Å; D424-R428 PolarHBondContact OD2-NH2 3.42Å; A426-R428 HydrophobicContact CB-CG 4.19Å; A426-R428 PolarHBondContact O-N 3.19Å; R428-K430 WeakPolarHBondContact CB-O 3.46Å; R428-N432 VanDerWaalsContact CZ-ND2 3.28Å; R428-N432 PolarHBondContact NH1-ND2 2.6Å; R428-N432 PolarHBondContact NH1-OD1 2.86Å; R428-N432 PolarHBondContact NH2-ND2 2.9Å
429	C	86.1	Confident	82.8	Confident	53 Å²	53	58.2 Å²	58.2	36%	0.358	32%	0.321	S	S	.	.	S	Bend	trans	-63.7	-47.4	172	-57.1	0	0	0	0	111.5	K303 C314	K303-C429 VanDerWaalsContact CE-O 3.3Å; K303-C429 WeakPolarHBondContact CE-O 3.36Å; K303-C429 PolarHBondContact NZ-O 3.11Å; C314-C429 HydrophobicContact CB-CB 3.57Å; C314-C429 WeakPolarHBondContact CB-SG 3.2Å; C314-C429 VanDerWaalsContact SG-CA 3.55Å; C314-C429 WeakPolarHBondContact SG-CB 3.48Å; C314-C429 CovalentContact SG-SG 2.01Å; C314-C429 PolarHBondContact SG-SG 2.58Å
430	K	84.7	Confident	82.8	Confident	87 Å²	87	60.9 Å²	60.9	38%	0.378	34%	0.344	S	S	.	.	S	Bend	trans	-117	133.3	178.7	178.4	165.6	-153.4	157.5	0	109.8	E301 R428 D515	E301-K430 WeakPolarHBondContact OE1-CD 3.26Å; E301-K430 WeakPolarHBondContact OE1-CE 3.45Å; E301-K430 VanDerWaalsContact OE1-CG 3.27Å; E301-K430 WeakPolarHBondContact OE1-CG 3.25Å; E301-K430 IonicContact OE1-NZ 3.89Å; E301-K430 PolarHBondContact OE1-NZ 2.03Å; E301-K430 WeakPolarHBondContact OE2-CA 3.13Å; E301-K430 WeakPolarHBondContact OE2-CB 3.12Å; E301-K430 VanDerWaalsContact OE2-CG 3.31Å; E301-K430 WeakPolarHBondContact OE2-CG 3.44Å; R428-K430 WeakPolarHBondContact CB-O 3.46Å; K430-D515 IonicContact NZ-OD1 2.71Å; K430-D515 PolarHBondContact NZ-OD1 2.81Å; K430-D515 IonicContact NZ-OD2 3.46Å
431	D	84.3	Confident	82.9	Confident	32 Å²	32	65.4 Å²	65.4	17%	0.171	36%	0.362	C	S	.	.			trans	-77.8	143.1	178.1	-64.1	-16.6	0	0	0	109.3	K303 R305 V433	K303-D431 IonicContact NZ-OD1 3.11Å; R305-D431 IonicContact CZ-OD1 3.64Å; R305-D431 IonicContact CZ-OD2 2.81Å; R305-D431 VanDerWaalsContact CZ-OD2 3.25Å; R305-D431 IonicContact NH1-OD2 3.53Å; R305-D431 PolarHBondContact NH1-OD2 3.49Å; R305-D431 IonicContact NH2-OD1 2.82Å; R305-D431 PolarHBondContact NH2-OD1 3.37Å; R305-D431 IonicContact NH2-OD2 3.62Å; R305-D431 PolarHBondContact NH2-OD2 3.23Å; D431-V433 VanDerWaalsContact C-N 3.27Å; D431-V433 PolarHBondContact O-N 2.98Å
432	N	82.2	Confident	83.3	Confident	105 Å²	105	66.6 Å²	66.6	56%	0.561	36%	0.364	S	S	*	.	S	Bend	trans	-69.9	-27.7	-179.4	-63.6	-29.9	0	0	0	112.8	R428	R428-N432 VanDerWaalsContact CZ-ND2 3.28Å; R428-N432 PolarHBondContact NH1-ND2 2.6Å; R428-N432 PolarHBondContact NH1-OD1 2.86Å; R428-N432 PolarHBondContact NH2-ND2 2.9Å
433	V	83.4	Confident	83.8	Confident	55 Å²	55	61.6 Å²	61.6	33%	0.333	34%	0.34	S	S	.	.	S	Bend	trans	-133.7	119.6	-177.8	-178.3	0	0	0	0	107.5	D431 Y435 K466	D431-V433 VanDerWaalsContact C-N 3.27Å; D431-V433 PolarHBondContact O-N 2.98Å; V433-Y435 HydrophobicContact CB-CE2 4.07Å; V433-Y435 HydrophobicContact CG1-CD2 4.25Å; V433-Y435 HydrophobicContact CG1-CE1 4.48Å; V433-Y435 HydrophobicContact CG1-CE2 3.74Å; V433-K466 HydrophobicContact CG1-CB 4.4Å; V433-K466 HydrophobicContact CG1-CD 4.08Å; V433-K466 HydrophobicContact CG1-CG 3.86Å
434	A	83	Confident	84.6	Confident	53 Å²	53	64.9 Å²	64.9	44%	0.438	35%	0.354	S	S	.	.			trans	-82.5	143.7	171	0	0	0	0	0	110	C467	A434-C467 HydrophobicContact CB-CB 3.9Å; A434-C467 VanDerWaalsContact CB-SG 3.54Å; A434-C467 PolarHBondContact O-N 3.14Å; A434-C467 PolarHBondContact O-SG 3.4Å
435	Y	87.1	Confident	85.4	Confident	39 Å²	39	67.3 Å²	67.3	15%	0.153	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.8	178.5	-74.3	-87.1	0	0	0	111.3	C419 Q422 L423 V433 Q465 K466 C467	C419-Y435 PolarHBondContact N-O 2.86Å; C419-Y435 WeakPolarHBondContact O-CB 3.29Å; Q422-Y435 PolarHBondContact O-OH 3.34Å; Q422-Y435 VanDerWaalsContact O-OH 3.12Å; L423-Y435 HydrophobicContact CD2-CD2 4.34Å; L423-Y435 HydrophobicContact CD2-CE2 4.41Å; V433-Y435 HydrophobicContact CB-CE2 4.07Å; V433-Y435 HydrophobicContact CG1-CD2 4.25Å; V433-Y435 HydrophobicContact CG1-CE1 4.48Å; V433-Y435 HydrophobicContact CG1-CE2 3.74Å; Y435-Q465 CarbonylContact C-O 3.58Å; Y435-Q465 WeakPolarHBondContact CA-O 3.18Å; Y435-Q465 WeakPolarHBondContact CD1-O 3.21Å; Y435-K466 HydrophobicContact CD1-CG 4.48Å; Y435-K466 HydrophobicContact CE1-CG 3.96Å; Y435-C467 VanDerWaalsContact CA-SG 3.58Å; Y435-C467 PolarHBondContact N-SG 3.27Å; Y435-C467 VanDerWaalsContact N-SG 3.36Å
436	C	86.6	Confident	86.4	Confident	27 Å²	27	63.6 Å²	63.6	18%	0.182	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.4	-172.9	-69.4	0	0	0	0	111.1	G417 C419 Q465 C467	G417-C436 CarbonylContact O-C 3.57Å; G417-C436 VanDerWaalsContact O-CA 3.28Å; G417-C436 WeakPolarHBondContact O-CA 3.37Å; C419-C436 PolarHBondContact SG-N 3.22Å; C419-C436 VanDerWaalsContact SG-N 3.37Å; C419-C436 PolarHBondContact SG-O 2.85Å; C436-Q465 PolarHBondContact N-O 2.78Å; C436-Q465 PolarHBondContact O-N 3.1Å; C436-C467 HydrophobicContact CB-CB 4.01Å; C436-C467 WeakPolarHBondContact CB-SG 3.33Å; C436-C467 PolarHBondContact N-SG 2.79Å; C436-C467 WeakPolarHBondContact SG-CB 3.39Å; C436-C467 CovalentContact SG-SG 2.04Å; C436-C467 PolarHBondContact SG-SG 3.12Å
437	C	87.6	Confident	87	Confident	18 Å²	18	61.8 Å²	61.8	12%	0.122	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	130.5	167.2	-61.5	0	0	0	0	110.1	C384 P415 G417 G463	C384-C437 VanDerWaalsContact CA-SG 3.51Å; C384-C437 HydrophobicContact CB-CB 3.79Å; C384-C437 WeakPolarHBondContact CB-SG 3.33Å; C384-C437 WeakPolarHBondContact SG-CA 3.48Å; C384-C437 WeakPolarHBondContact SG-CB 3.49Å; C384-C437 CovalentContact SG-SG 2.04Å; C384-C437 PolarHBondContact SG-SG 2.94Å; P415-C437 WeakPolarHBondContact O-CB 3.42Å; G417-C437 PolarHBondContact O-N 2.78Å; C437-G463 WeakPolarHBondContact CA-O 3.34Å
438	G	87.1	Confident	87.3	Confident	10 Å²	10	62.3 Å²	62.3	10%	0.103	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	-169.7	178.6	0	0	0	0	0	112.1	C414 A440 C462 G463	C414-G438 PolarHBondContact SG-O 3.15Å; G438-A440 PolarHBondContact O-N 3.08Å; G438-C462 CarbonylContact O-C 3.54Å; G438-C462 WeakPolarHBondContact O-CA 3.35Å; G438-G463 PolarHBondContact N-O 2.76Å; G438-G463 PolarHBondContact O-N 2.67Å
439	V	87.1	Confident	87.2	Confident	32 Å²	32	58.1 Å²	58.1	19%	0.194	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120.7	-175.4	177.4	0	0	0	0	110.4	C414 M442 V459 T920	C414-V439 HydrophobicContact CB-CG2 4.35Å; V439-M442 HydrophobicContact CG1-CG 3.47Å; V439-M442 VanDerWaalsContact CG1-CG 3.47Å; V439-M442 HydrophobicContact CG1-SD 4.07Å; V439-V459 HydrophobicContact CG1-CG1 4.11Å; V439-V459 HydrophobicContact CG1-CG2 4.27Å; V439-V459 HydrophobicContact CG2-CG1 4.05Å; V439-V459 HydrophobicContact CG2-CG2 3.85Å; V439-T920 HydrophobicContact CB-CG2 4.13Å; V439-T920 HydrophobicContact CG1-CG2 4.47Å; V439-T920 HydrophobicContact CG2-CG2 4.18Å
440	A	87.4	Confident	87.1	Confident	63 Å²	63	63 Å²	63	52%	0.521	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-34.8	174.9	0	0	0	0	0	112.2	G438 E461	G438-A440 PolarHBondContact O-N 3.08Å; A440-E461 HydrophobicContact CB-CG 4.41Å; A440-E461 PolarHBondContact N-O 2.76Å
441	K	89	Confident	86.8	Confident	101 Å²	101	63 Å²	63	44%	0.439	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	138	-178.1	-164	-173.8	177.5	-157	0	112.9	E443 T460 E461	K441-E443 IonicContact NZ-OE1 3.82Å; K441-T460 PolarHBondContact O-N 2.87Å; K441-T460 PolarHBondContact O-OG1 2.93Å; K441-T460 VanDerWaalsContact O-OG1 3.1Å; K441-E461 HydrophobicContact CB-CB 3.9Å; K441-E461 PolarHBondContact N-O 2.8Å; K441-E461 VanDerWaalsContact N-O 3.16Å; K441-E461 PolarHBondContact O-N 2.85Å
442	M	90.4	Very high	86.7	Confident	44 Å²	44	63.5 Å²	63.5	22%	0.217	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	152.6	174	-62.3	-171.4	-74.6	0	0	112.1	V439 M457 V458 V459 T920	V439-M442 HydrophobicContact CG1-CG 3.47Å; V439-M442 VanDerWaalsContact CG1-CG 3.47Å; V439-M442 HydrophobicContact CG1-SD 4.07Å; M442-M457 HydrophobicContact CB-CE 3.82Å; M442-M457 HydrophobicContact SD-CB 4.35Å; M442-V458 CarbonylContact C-O 3.42Å; M442-V458 VanDerWaalsContact CA-O 3.3Å; M442-V458 WeakPolarHBondContact CA-O 3.35Å; M442-V459 HydrophobicContact CG-CG2 4.44Å; M442-T920 HydrophobicContact CE-CG2 4.03Å; M442-T920 HydrophobicContact SD-CG2 4.25Å
443	E	91.8	Very high	86.9	Confident	70 Å²	70	64.2 Å²	64.2	33%	0.327	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.5	174.4	-69	-177.3	175.9	0	0	111	K441 R445 V458 T460	K441-E443 IonicContact NZ-OE1 3.82Å; E443-R445 IonicContact OE2-NH2 3.55Å; E443-R445 PolarHBondContact OE2-NH2 2.93Å; E443-R445 VanDerWaalsContact OE2-NH2 3.13Å; E443-V458 PolarHBondContact N-O 2.95Å; E443-V458 PolarHBondContact O-N 3.39Å; E443-T460 HydrophobicContact CB-CG2 4.02Å; E443-T460 HydrophobicContact CG-CG2 3.78Å
444	E	90.3	Very high	87.1	Confident	106 Å²	106	61.8 Å²	61.8	50%	0.495	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.6	176.8	-167.4	-171.8	145.5	0	0	111.3	Q446 P455 M457	E444-Q446 PolarHBondContact OE1-NE2 3.4Å; E444-P455 HydrophobicContact CG-CB 4.35Å; E444-P455 WeakPolarHBondContact OE1-CB 3.39Å; E444-M457 HydrophobicContact CB-SD 3.73Å; E444-M457 HydrophobicContact CG-SD 4.14Å
445	R	91	Very high	87.5	Confident	121 Å²	121	60 Å²	60	46%	0.457	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.3	172.7	-62.3	-66.4	176.1	165.3	-9.1	110.1	E443 T456 V458	E443-R445 IonicContact OE2-NH2 3.55Å; E443-R445 PolarHBondContact OE2-NH2 2.93Å; E443-R445 VanDerWaalsContact OE2-NH2 3.13Å; R445-T456 PolarHBondContact N-O 2.87Å; R445-T456 PolarHBondContact O-N 2.99Å; R445-V458 HydrophobicContact CB-CG2 4.04Å; R445-V458 HydrophobicContact CG-CB 4.19Å; R445-V458 HydrophobicContact CG-CG2 3.59Å
446	Q	90.2	Very high	87.6	Confident	92 Å²	92	58.2 Å²	58.2	43%	0.43	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	108.3	179.3	-70.8	-73.5	-9.9	0	0	110.5	E444	E444-Q446 PolarHBondContact OE1-NE2 3.4Å
447	L	89.3	Confident	87.8	Confident	6 Å²	6	58.1 Å²	58.1	3%	0.031	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128.6	179.1	-55.8	-179.5	0	0	0	110.4	L395 Y409 Q453 L454 T456	L395-L447 HydrophobicContact CD1-CD1 4.22Å; L395-L447 HydrophobicContact CD2-CD1 3.53Å; Y409-L447 HydrophobicContact CD1-CD1 4.12Å; Y409-L447 HydrophobicContact CD1-CD2 4.2Å; Y409-L447 HydrophobicContact CD2-CD1 4.43Å; Y409-L447 HydrophobicContact CD2-CD2 3.76Å; Y409-L447 HydrophobicContact CE1-CD2 3.97Å; Y409-L447 HydrophobicContact CE2-CD2 3.51Å; Y409-L447 HydrophobicContact CG-CD1 4.03Å; Y409-L447 HydrophobicContact CG-CD2 4.09Å; L447-Q453 CarbonylContact O-C 3.5Å; L447-Q453 WeakPolarHBondContact O-CA 3.34Å; L447-L454 HydrophobicContact CB-CB 4.33Å; L447-L454 PolarHBondContact N-O 2.92Å; L447-L454 PolarHBondContact O-N 3.4Å; L447-T456 WeakPolarHBondContact CD1-OG1 3.01Å
448	T	87.5	Confident	87.9	Confident	93 Å²	93	58.2 Å²	58.2	57%	0.571	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.8	-179.8	-57.3	0	0	0	0	110.2	Q401	Q401-T448 PolarHBondContact NE2-O 3.5Å
449	C	86.2	Confident	88.1	Confident	13 Å²	13	58.6 Å²	58.6	9%	0.088	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	172.5	177	-50.4	0	0	0	0	110.8	C399 G451 Y452	C399-C449 HydrophobicContact CB-CB 3.54Å; C399-C449 WeakPolarHBondContact CB-SG 3.31Å; C399-C449 VanDerWaalsContact SG-CA 3.54Å; C399-C449 WeakPolarHBondContact SG-CB 3.35Å; C399-C449 CovalentContact SG-SG 2.04Å; C399-C449 PolarHBondContact SG-SG 3.43Å; C449-G451 PolarHBondContact O-N 3.33Å; C449-Y452 CarbonylContact C-O 3.5Å; C449-Y452 WeakPolarHBondContact CA-O 3.23Å; C449-Y452 HydrophobicContact CB-CD1 4.22Å; C449-Y452 HydrophobicContact CB-CD2 4.29Å; C449-Y452 HydrophobicContact CB-CE1 3.85Å; C449-Y452 HydrophobicContact CB-CE2 3.94Å; C449-Y452 HydrophobicContact CB-CG 4.42Å; C449-Y452 PolarHBondContact N-O 2.67Å
450	Q	83.3	Confident	88.3	Confident	157 Å²	157	59.4 Å²	59.4	73%	0.734	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	96.3	176.1	-71	-176.1	3.2	0	0	111.4	D398	D398-Q450 HydrophobicContact CB-CB 4.37Å; D398-Q450 WeakPolarHBondContact O-CB 3.17Å; D398-Q450 WeakPolarHBondContact O-CG 3.09Å; D398-Q450 PolarHBondContact O-N 2.74Å
451	G	77.9	Confident	88.6	Confident	85 Å²	85	60.9 Å²	60.9	88%	0.876	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.8	3.6	173.1	0	0	0	0	0	116	C449	C449-G451 PolarHBondContact O-N 3.33Å
452	Y	83.1	Confident	88.7	Confident	44 Å²	44	56.4 Å²	56.4	17%	0.173	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	167.8	173.5	63.9	-78.5	0	0	0	111.8	D398 C449 L454 R951 L969	D398-Y452 VanDerWaalsContact OD2-CE1 3.28Å; D398-Y452 WeakPolarHBondContact OD2-CE1 3.4Å; D398-Y452 PolarHBondContact OD2-OH 3.44Å; C449-Y452 CarbonylContact C-O 3.5Å; C449-Y452 WeakPolarHBondContact CA-O 3.23Å; C449-Y452 HydrophobicContact CB-CD1 4.22Å; C449-Y452 HydrophobicContact CB-CD2 4.29Å; C449-Y452 HydrophobicContact CB-CE1 3.85Å; C449-Y452 HydrophobicContact CB-CE2 3.94Å; C449-Y452 HydrophobicContact CB-CG 4.42Å; C449-Y452 PolarHBondContact N-O 2.67Å; Y452-L454 HydrophobicContact CE2-CB 4.24Å; Y452-R951 PolarHBondContact OH-NH1 3.03Å; Y452-L969 HydrophobicContact CE2-CD1 3.87Å
453	Q	85.6	Confident	88.7	Confident	119 Å²	119	55.2 Å²	55.2	56%	0.556	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.7	169.4	-67.6	-179.9	-20.5	0	0	109.6	L447 P455	L447-Q453 CarbonylContact O-C 3.5Å; L447-Q453 WeakPolarHBondContact O-CA 3.34Å; Q453-P455 WeakPolarHBondContact O-CD 3.23Å
454	L	87.7	Confident	88.6	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	106.5	177.2	-178.7	66.6	0	0	0	108.5	L395 P396 L447 Y452 L966 L969	L395-L454 HydrophobicContact CD2-CD2 4.32Å; P396-L454 HydrophobicContact CG-CD2 4.4Å; L447-L454 HydrophobicContact CB-CB 4.33Å; L447-L454 PolarHBondContact N-O 2.92Å; L447-L454 PolarHBondContact O-N 3.4Å; Y452-L454 HydrophobicContact CE2-CB 4.24Å; L454-L966 HydrophobicContact CD1-CD2 3.69Å; L454-L969 HydrophobicContact CD1-CD1 4.31Å
455	P	90.6	Very high	88.4	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.104	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.9	170.7	26.7	-32.1	0	0	0	109.7	E444 Q453 T908 L966	E444-P455 HydrophobicContact CG-CB 4.35Å; E444-P455 WeakPolarHBondContact OE1-CB 3.39Å; Q453-P455 WeakPolarHBondContact O-CD 3.23Å; P455-T908 HydrophobicContact CB-CG2 4.23Å; P455-T908 HydrophobicContact CG-CG2 4.26Å; P455-T908 WeakPolarHBondContact O-CA 3.21Å; P455-T908 WeakPolarHBondContact O-CB 3.33Å; P455-T908 WeakPolarHBondContact O-CG2 3.01Å; P455-T908 PolarHBondContact O-OG1 3.45Å; P455-T908 VanDerWaalsContact O-OG1 3.05Å; P455-L966 HydrophobicContact CG-CB 4.08Å; P455-L966 HydrophobicContact CG-CD2 4.24Å
456	T	89.7	Confident	88.1	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.9	179	-55.8	0	0	0	0	109.8	I393 V411 R445 L447 T908	I393-T456 HydrophobicContact CD1-CG2 3.97Å; V411-T456 HydrophobicContact CG1-CG2 3.59Å; R445-T456 PolarHBondContact N-O 2.87Å; R445-T456 PolarHBondContact O-N 2.99Å; L447-T456 WeakPolarHBondContact CD1-OG1 3.01Å; T456-T908 WeakPolarHBondContact CA-O 3.34Å
457	M	90.4	Very high	87.6	Confident	25 Å²	25	50.8 Å²	50.8	12%	0.123	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.7	173.7	-64.1	-62.7	-83.2	0	0	110.6	M442 E444 T908 V909 P910	M442-M457 HydrophobicContact CB-CE 3.82Å; M442-M457 HydrophobicContact SD-CB 4.35Å; E444-M457 HydrophobicContact CB-SD 3.73Å; E444-M457 HydrophobicContact CG-SD 4.14Å; M457-T908 PolarHBondContact N-O 3.42Å; M457-V909 HydrophobicContact CG-CG2 4.1Å; M457-P910 WeakPolarHBondContact O-CD 3.18Å; M457-P910 VanDerWaalsContact O-CG 3.32Å; M457-P910 WeakPolarHBondContact O-CG 3.08Å
458	V	91.3	Very high	86.9	Confident	20 Å²	20	52.8 Å²	52.8	12%	0.121	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	131.8	-179.8	179.2	0	0	0	0	109.5	Y409 V411 M442 E443 R445	Y409-V458 HydrophobicContact CE1-CG2 3.92Å; V411-V458 HydrophobicContact CG1-CG2 4.42Å; V411-V458 WeakPolarHBondContact O-CA 2.99Å; V411-V458 WeakPolarHBondContact O-CG1 3.3Å; M442-V458 CarbonylContact C-O 3.42Å; M442-V458 VanDerWaalsContact CA-O 3.3Å; M442-V458 WeakPolarHBondContact CA-O 3.35Å; E443-V458 PolarHBondContact N-O 2.95Å; E443-V458 PolarHBondContact O-N 3.39Å; R445-V458 HydrophobicContact CB-CG2 4.04Å; R445-V458 HydrophobicContact CG-CB 4.19Å; R445-V458 HydrophobicContact CG-CG2 3.59Å
459	V	90.7	Very high	86	Confident	18 Å²	18	54.9 Å²	54.9	11%	0.109	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	126.8	176.9	-178.8	0	0	0	0	109.3	P388 V411 V439 M442	P388-V459 HydrophobicContact CB-CB 4.47Å; P388-V459 HydrophobicContact CB-CG1 4.02Å; P388-V459 HydrophobicContact CG-CB 4.46Å; P388-V459 HydrophobicContact CG-CG1 3.8Å; V411-V459 PolarHBondContact O-N 2.89Å; V439-V459 HydrophobicContact CG1-CG1 4.11Å; V439-V459 HydrophobicContact CG1-CG2 4.27Å; V439-V459 HydrophobicContact CG2-CG1 4.05Å; V439-V459 HydrophobicContact CG2-CG2 3.85Å; M442-V459 HydrophobicContact CG-CG2 4.44Å
460	T	91.9	Very high	85.1	Confident	48 Å²	48	56.3 Å²	56.3	29%	0.294	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-26.8	-178.2	54.5	0	0	0	0	113.4	K441 E443	K441-T460 PolarHBondContact O-N 2.87Å; K441-T460 PolarHBondContact O-OG1 2.93Å; K441-T460 VanDerWaalsContact O-OG1 3.1Å; E443-T460 HydrophobicContact CB-CG2 4.02Å; E443-T460 HydrophobicContact CG-CG2 3.78Å
461	E	92.3	Very high	84.7	Confident	95 Å²	95	52.8 Å²	52.8	44%	0.444	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	140.1	-178.1	-168.6	176.3	-178.1	0	0	111	A440 K441	A440-E461 HydrophobicContact CB-CG 4.41Å; A440-E461 PolarHBondContact N-O 2.76Å; K441-E461 HydrophobicContact CB-CB 3.9Å; K441-E461 PolarHBondContact N-O 2.8Å; K441-E461 VanDerWaalsContact N-O 3.16Å; K441-E461 PolarHBondContact O-N 2.85Å
462	C	91.4	Very high	84.9	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	146.6	176.1	-60.1	0	0	0	0	111.5	N385 P386 C414 G438	N385-C462 VanDerWaalsContact O-CB 3.25Å; N385-C462 WeakPolarHBondContact O-CB 3.27Å; P386-C462 PolarHBondContact O-N 2.81Å; C414-C462 WeakPolarHBondContact CA-SG 3.34Å; C414-C462 HydrophobicContact CB-CB 3.78Å; C414-C462 WeakPolarHBondContact CB-SG 3.44Å; C414-C462 WeakPolarHBondContact SG-CA 3.22Å; C414-C462 WeakPolarHBondContact SG-CB 3.11Å; C414-C462 CovalentContact SG-SG 2.02Å; C414-C462 PolarHBondContact SG-SG 3.31Å; G438-C462 CarbonylContact O-C 3.54Å; G438-C462 WeakPolarHBondContact O-CA 3.35Å
463	G	90.2	Very high	84.9	Confident	19 Å²	19	47.3 Å²	47.3	20%	0.196	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	171.8	-176.6	0	0	0	0	0	113.7	C437 G438	C437-G463 WeakPolarHBondContact CA-O 3.34Å; G438-G463 PolarHBondContact N-O 2.76Å; G438-G463 PolarHBondContact O-N 2.67Å
464	C	89.4	Confident	85	Confident	50 Å²	50	41.6 Å²	41.6	34%	0.338	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	119.7	177.3	-175.6	0	0	0	0	109.9	C419	C419-C464 HydrophobicContact CB-CB 3.79Å; C419-C464 WeakPolarHBondContact CB-SG 3.47Å; C419-C464 WeakPolarHBondContact SG-CA 3.23Å; C419-C464 WeakPolarHBondContact SG-CB 3.41Å; C419-C464 CovalentContact SG-SG 2.03Å; C419-C464 PolarHBondContact SG-SG 3.49Å
465	Q	87.1	Confident	85	Confident	85 Å²	85	42.9 Å²	42.9	40%	0.397	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	171.3	-179.4	60.4	-177.4	-1.6	0	0	110.9	Y435 C436 C467	Y435-Q465 CarbonylContact C-O 3.58Å; Y435-Q465 WeakPolarHBondContact CA-O 3.18Å; Y435-Q465 WeakPolarHBondContact CD1-O 3.21Å; C436-Q465 PolarHBondContact N-O 2.78Å; C436-Q465 PolarHBondContact O-N 3.1Å; Q465-C467 PolarHBondContact O-N 2.87Å
466	K	85.1	Confident	84.8	Confident	139 Å²	139	42.3 Å²	42.3	60%	0.604	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	133.9	173	-65.8	-176.1	-179.8	177.4	0	108.7	V433 Y435	V433-K466 HydrophobicContact CG1-CB 4.4Å; V433-K466 HydrophobicContact CG1-CD 4.08Å; V433-K466 HydrophobicContact CG1-CG 3.86Å; Y435-K466 HydrophobicContact CD1-CG 4.48Å; Y435-K466 HydrophobicContact CE1-CG 3.96Å
467	C	79.4	Confident	84.8	Confident	23 Å²	23	46.7 Å²	46.7	16%	0.155	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-63.4	141	172.4	-56.8	0	0	0	0	108.9	A434 Y435 C436 Q465 D469 M917	A434-C467 HydrophobicContact CB-CB 3.9Å; A434-C467 VanDerWaalsContact CB-SG 3.54Å; A434-C467 PolarHBondContact O-N 3.14Å; A434-C467 PolarHBondContact O-SG 3.4Å; Y435-C467 VanDerWaalsContact CA-SG 3.58Å; Y435-C467 PolarHBondContact N-SG 3.27Å; Y435-C467 VanDerWaalsContact N-SG 3.36Å; C436-C467 HydrophobicContact CB-CB 4.01Å; C436-C467 WeakPolarHBondContact CB-SG 3.33Å; C436-C467 PolarHBondContact N-SG 2.79Å; C436-C467 WeakPolarHBondContact SG-CB 3.39Å; C436-C467 CovalentContact SG-SG 2.04Å; C436-C467 PolarHBondContact SG-SG 3.12Å; Q465-C467 PolarHBondContact O-N 2.87Å; C467-D469 PolarHBondContact O-N 3.02Å; C467-M917 HydrophobicContact CB-CE 4.14Å
468	V	74	Confident	84.9	Confident	47 Å²	47	45.5 Å²	45.5	29%	0.285	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-70.1	125.7	165.9	-179.4	0	0	0	0	107.5	T470 M917 P930	V468-T470 HydrophobicContact CG1-CG2 4.5Å; V468-T470 PolarHBondContact O-N 2.65Å; V468-M917 HydrophobicContact CB-CE 3.91Å; V468-M917 HydrophobicContact CB-SD 3.88Å; V468-M917 WeakPolarHBondContact O-CE 3.39Å; V468-M917 VanDerWaalsContact O-SD 3.33Å; V468-P930 HydrophobicContact CG1-CB 4.43Å
469	D	68.8	Low	85	Confident	138 Å²	138	45 Å²	45	74%	0.738	23%	0.234	S	C	*	.			trans	-69.4	112.5	174.1	-68.6	-38.1	0	0	0	108.4	C467	C467-D469 PolarHBondContact O-N 3.02Å
470	T	67.9	Low	85.2	Confident	42 Å²	42	44.2 Å²	44.2	26%	0.258	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-103.3	137.1	175.5	55.4	0	0	0	0	110.3	V468 K542 P916 M917	V468-T470 HydrophobicContact CG1-CG2 4.5Å; V468-T470 PolarHBondContact O-N 2.65Å; T470-K542 PolarHBondContact OG1-O 3.22Å; T470-P916 HydrophobicContact CG2-CB 4.39Å; T470-M917 HydrophobicContact CG2-CG 4.37Å; T470-M917 HydrophobicContact CG2-SD 3.37Å; T470-M917 WeakPolarHBondContact CG2-SD 3.42Å
471	Q	74.4	Confident	85.1	Confident	84 Å²	84	43.4 Å²	43.4	39%	0.393	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-94.6	133	171.3	-74.7	172.9	0.5	0	0	108.5	G544 M931	Q471-G544 PolarHBondContact O-N 3.27Å; Q471-G544 VanDerWaalsContact O-N 3.13Å; Q471-M931 HydrophobicContact CB-CE 3.55Å; Q471-M931 HydrophobicContact CG-CE 3.68Å; Q471-M931 VanDerWaalsContact N-CE 3.25Å
472	A	82.5	Confident	84.9	Confident	11 Å²	11	43.7 Å²	43.7	9%	0.091	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.5	167.1	0	0	0	0	0	108.6	V512 F539 N540 G544	A472-V512 HydrophobicContact CB-CB 3.96Å; A472-V512 HydrophobicContact CB-CG2 4.18Å; A472-V512 WeakPolarHBondContact O-CB 3.44Å; A472-V512 WeakPolarHBondContact O-CG2 3.26Å; A472-V512 PolarHBondContact O-N 3.17Å; A472-F539 HydrophobicContact CB-CD2 3.96Å; A472-N540 WeakPolarHBondContact CB-O 3.48Å; A472-G544 WeakPolarHBondContact CA-O 3.13Å
473	V	82.8	Confident	84.8	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.4	178.6	-176.5	0	0	0	0	108.8	S509 Q511 G544 A545 V546 Q1064	V473-S509 WeakPolarHBondContact CG1-OG 3.39Å; V473-Q511 HydrophobicContact CG2-CG 4.46Å; V473-G544 PolarHBondContact N-O 2.88Å; V473-A545 HydrophobicContact CB-CB 4.11Å; V473-A545 CarbonylContact O-C 3.57Å; V473-A545 VanDerWaalsContact O-CA 3.23Å; V473-A545 WeakPolarHBondContact O-CA 3.19Å; V473-V546 PolarHBondContact O-N 2.96Å; V473-Q1064 HydrophobicContact CG2-CB 4.37Å; V473-Q1064 VanDerWaalsContact CG2-OE1 3.24Å
474	V	88.3	Confident	84.8	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119	171	169.6	0	0	0	0	108.3	F508 S509 V510 V512 L519 L537 F539	V474-F508 HydrophobicContact CG1-CE2 4.25Å; V474-S509 CarbonylContact O-C 3.58Å; V474-V510 PolarHBondContact N-O 2.95Å; V474-V510 PolarHBondContact O-N 2.84Å; V474-V512 HydrophobicContact CG2-CG2 3.96Å; V474-L519 HydrophobicContact CB-CD2 3.76Å; V474-L519 HydrophobicContact CG1-CD2 4.08Å; V474-L519 HydrophobicContact CG2-CD2 3.47Å; V474-L519 VanDerWaalsContact CG2-CD2 3.47Å; V474-L537 HydrophobicContact CG1-CD1 3.7Å; V474-F539 HydrophobicContact CG2-CB 3.64Å
475	Y	85.9	Confident	85	Confident	32 Å²	32	49.2 Å²	49.2	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	165	-179.7	73.8	-71.8	0	0	0	109.7	F508 A545 V546 Y547 H548 T1068	Y475-F508 CarbonylContact C-O 3.45Å; Y475-F508 WeakPolarHBondContact CA-O 3.49Å; Y475-F508 WeakPolarHBondContact CB-O 3.38Å; Y475-A545 HydrophobicContact CD1-CB 3.86Å; Y475-A545 HydrophobicContact CE1-CB 3.61Å; Y475-V546 PolarHBondContact N-O 2.83Å; Y475-Y547 AromaticContact CD2-CD2 3.83Å; Y475-Y547 HydrophobicContact CD2-CD2 3.83Å; Y475-Y547 AromaticContact CE2-CD2 3.52Å; Y475-Y547 HydrophobicContact CE2-CD2 3.52Å; Y475-Y547 HydrophobicContact CE2-CE2 4.43Å; Y475-Y547 HydrophobicContact CE2-CG 4.32Å; Y475-Y547 CarbonylContact O-C 3.59Å; Y475-Y547 VanDerWaalsContact O-CA 3.27Å; Y475-Y547 WeakPolarHBondContact O-CA 3.05Å; Y475-H548 PolarHBondContact O-N 3.07Å; Y475-T1068 HydrophobicContact CD1-CG2 4.49Å; Y475-T1068 HydrophobicContact CD2-CG2 4.28Å; Y475-T1068 HydrophobicContact CE1-CG2 3.83Å; Y475-T1068 WeakPolarHBondContact CE1-OG1 3.38Å; Y475-T1068 HydrophobicContact CE2-CG2 3.54Å; Y475-T1068 WeakPolarHBondContact OH-CG2 3.14Å; Y475-T1068 PolarHBondContact OH-OG1 2.9Å
476	G	87.1	Confident	85.2	Confident	3 Å²	3	46.8 Å²	46.8	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-167.1	-170.7	0	0	0	0	0	114.5	T507 F508 H548	G476-T507 CarbonylContact O-C 3.56Å; G476-T507 WeakPolarHBondContact O-CA 3.38Å; G476-F508 VanDerWaalsContact C-CE1 3.49Å; G476-F508 PolarHBondContact N-O 2.91Å; G476-F508 PolarHBondContact O-N 3.04Å; G476-H548 WeakPolarHBondContact CA-O 3.47Å
477	R	89	Confident	85.7	Confident	93 Å²	93	40.2 Å²	40.2	35%	0.351	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.5	169.3	71.1	-173.3	-179.9	-169.3	-2.8	111.3	I479 G506 T507 Y547 H548 E549 I550	R477-I479 HydrophobicContact CG-CG2 4.08Å; R477-G506 CarbonylContact C-O 3.49Å; R477-G506 VanDerWaalsContact CA-O 3.29Å; R477-G506 WeakPolarHBondContact CA-O 3.32Å; R477-T507 HydrophobicContact CB-CG2 4.43Å; R477-Y547 WeakPolarHBondContact CD-OH 3.24Å; R477-Y547 WeakPolarHBondContact CG-OH 3.41Å; R477-Y547 PolarHBondContact NE-OH 3.22Å; R477-H548 PolarHBondContact N-O 2.91Å; R477-E549 HydrophobicContact CG-CG 4.29Å; R477-E549 IonicContact CZ-OE1 2.72Å; R477-E549 IonicContact NE-OE1 2.76Å; R477-E549 PolarHBondContact NE-OE1 3.16Å; R477-E549 IonicContact NH2-OE1 3.93Å; R477-E549 PolarHBondContact NH2-OE1 3.4Å; R477-I550 PolarHBondContact O-N 3.34Å
478	A	94.2	Very high	86.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.9	170.5	0	0	0	0	0	110.2	M487 T502 G506 F523 I550	A478-M487 HydrophobicContact CB-CB 4.07Å; A478-M487 HydrophobicContact CB-CE 3.67Å; A478-M487 PolarHBondContact O-N 2.84Å; A478-T502 HydrophobicContact CB-CG2 4.26Å; A478-G506 PolarHBondContact N-O 2.94Å; A478-F523 HydrophobicContact CB-CD1 4.25Å; A478-F523 HydrophobicContact CB-CE1 4.46Å; A478-I550 WeakPolarHBondContact CA-O 3.39Å; A478-I550 HydrophobicContact CB-CB 4.2Å
479	I	93.7	Very high	87.3	Confident	11 Å²	11	46.2 Å²	46.2	6%	0.056	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	153.1	-177.3	61.9	174.1	0	0	0	111.2	R477 E485 E549 I550 K551 V552	R477-I479 HydrophobicContact CG-CG2 4.08Å; I479-E485 CarbonylContact C-O 3.55Å; I479-E485 WeakPolarHBondContact CA-O 3.33Å; I479-E549 HydrophobicContact CD1-CG 4.03Å; I479-E549 VanDerWaalsContact CD1-OE1 3.27Å; I479-E549 WeakPolarHBondContact CD1-OE1 3.06Å; I479-E549 HydrophobicContact CG1-CG 4.21Å; I479-I550 PolarHBondContact N-O 2.84Å; I479-K551 HydrophobicContact CD1-CD 4.35Å; I479-K551 HydrophobicContact CG1-CD 4.05Å; I479-K551 WeakPolarHBondContact O-CA 3.37Å; I479-V552 WeakPolarHBondContact O-CG2 3.45Å; I479-V552 PolarHBondContact O-N 2.97Å
480	A	93.4	Very high	88.5	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	137.8	175.9	0	0	0	0	0	111.2	D482 N483 G484 E485 F530 V552	A480-D482 VanDerWaalsContact C-N 3.3Å; A480-D482 WeakPolarHBondContact CB-OD1 3.44Å; A480-D482 PolarHBondContact O-N 2.85Å; A480-N483 WeakPolarHBondContact CB-OD1 3.27Å; A480-G484 VanDerWaalsContact O-CA 3.3Å; A480-G484 WeakPolarHBondContact O-CA 3.02Å; A480-G484 PolarHBondContact O-N 2.91Å; A480-G484 VanDerWaalsContact O-N 3.08Å; A480-E485 HydrophobicContact CB-CB 4.08Å; A480-E485 PolarHBondContact N-O 3.25Å; A480-F530 HydrophobicContact CB-CD1 4.47Å; A480-F530 HydrophobicContact CB-CE1 3.48Å; A480-F530 VanDerWaalsContact CB-CE1 3.48Å; A480-F530 HydrophobicContact CB-CZ 3.92Å; A480-V552 WeakPolarHBondContact CA-O 3.33Å
481	A	89.9	Confident	89.9	Confident	31 Å²	31	39.3 Å²	39.3	26%	0.256	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-30.7	-178.7	0	0	0	0	0	113.4	K551 V552 L553 A619	A481-K551 HydrophobicContact CB-CB 4.22Å; A481-V552 PolarHBondContact N-O 3.3Å; A481-L553 HydrophobicContact CB-CD2 4Å; A481-A619 HydrophobicContact CB-CB 3.93Å
482	D	88	Confident	90.9	Very high	101 Å²	101	35.3 Å²	35.3	54%	0.54	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-53.6	-174.2	56.9	-12	0	0	0	113.1	A480 R554	A480-D482 VanDerWaalsContact C-N 3.3Å; A480-D482 WeakPolarHBondContact CB-OD1 3.44Å; A480-D482 PolarHBondContact O-N 2.85Å; D482-R554 IonicContact OD1-CZ 3.25Å; D482-R554 IonicContact OD1-NH2 2.82Å; D482-R554 PolarHBondContact OD1-NH2 3.47Å; D482-R554 IonicContact OD2-CZ 2.89Å; D482-R554 IonicContact OD2-NE 3.33Å; D482-R554 PolarHBondContact OD2-NE 2.96Å; D482-R554 IonicContact OD2-NH2 2.78Å; D482-R554 PolarHBondContact OD2-NH2 2.84Å
483	N	89.9	Confident	91.5	Very high	102 Å²	102	37.5 Å²	37.5	55%	0.545	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	1.3	-169.9	68.1	6.7	0	0	0	114	A480 E485 R554	A480-N483 WeakPolarHBondContact CB-OD1 3.27Å; N483-E485 PolarHBondContact O-N 3.43Å; N483-E485 WeakPolarHBondContact OD1-CB 3.07Å; N483-E485 PolarHBondContact OD1-N 2.85Å; N483-R554 PolarHBondContact ND2-NH2 3.28Å; N483-R554 PolarHBondContact OD1-NH2 2.77Å
484	G	89.1	Confident	92	Very high	35 Å²	35	38.7 Å²	38.7	36%	0.361	20%	0.195	S	C	.	.			trans	71	13.4	-179.3	0	0	0	0	0	114.8	A480 P486	A480-G484 VanDerWaalsContact O-CA 3.3Å; A480-G484 WeakPolarHBondContact O-CA 3.02Å; A480-G484 PolarHBondContact O-N 2.91Å; A480-G484 VanDerWaalsContact O-N 3.08Å; G484-P486 WeakPolarHBondContact O-CD 3.07Å
485	E	93.6	Very high	91.8	Very high	54 Å²	54	43.9 Å²	43.9	25%	0.252	22%	0.223	S	C	.	.			trans	-58.2	127.9	175.5	-179.1	-174.3	-179.3	0	0	110.7	I479 A480 N483 M487 K529 R554	I479-E485 CarbonylContact C-O 3.55Å; I479-E485 WeakPolarHBondContact CA-O 3.33Å; A480-E485 HydrophobicContact CB-CB 4.08Å; A480-E485 PolarHBondContact N-O 3.25Å; N483-E485 PolarHBondContact O-N 3.43Å; N483-E485 WeakPolarHBondContact OD1-CB 3.07Å; N483-E485 PolarHBondContact OD1-N 2.85Å; E485-M487 PolarHBondContact O-N 3.02Å; E485-K529 IonicContact OE1-NZ 2.68Å; E485-K529 PolarHBondContact OE1-NZ 2.97Å; E485-K529 WeakPolarHBondContact OE2-CE 3.36Å; E485-K529 IonicContact OE2-NZ 3.36Å; E485-K529 PolarHBondContact OE2-NZ 3.04Å; E485-R554 IonicContact OE2-CZ 3.9Å; E485-R554 IonicContact OE2-NH1 2.78Å; E485-R554 PolarHBondContact OE2-NH1 2.77Å; E485-R554 IonicContact OE2-NH2 3.59Å; E485-R554 PolarHBondContact OE2-NH2 2.77Å
486	P	92.8	Very high	91.7	Very high	33 Å²	33	44.9 Å²	44.9	21%	0.214	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-64.7	135.6	177.8	-22.2	32.7	0	0	0	113.8	G484 R488 K505	G484-P486 WeakPolarHBondContact O-CD 3.07Å; P486-R488 HydrophobicContact CB-CG 4.39Å; P486-R488 WeakPolarHBondContact O-CG 3.49Å; P486-R488 PolarHBondContact O-N 2.9Å; P486-K505 VanDerWaalsContact CB-C 3.45Å
487	M	94.9	Very high	91.9	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	27%	0.268	C	S	.	.			trans	-75.7	92.6	168.6	-174.4	-176.3	71.6	0	0	108.8	A478 E485 T502 G506 F523 D525 F530 V552	A478-M487 HydrophobicContact CB-CB 4.07Å; A478-M487 HydrophobicContact CB-CE 3.67Å; A478-M487 PolarHBondContact O-N 2.84Å; E485-M487 PolarHBondContact O-N 3.02Å; M487-T502 HydrophobicContact CE-CG2 3.68Å; M487-T502 WeakPolarHBondContact O-CB 3.32Å; M487-T502 PolarHBondContact O-OG1 2.97Å; M487-G506 WeakPolarHBondContact O-CA 3.47Å; M487-F523 HydrophobicContact CE-CB 3.82Å; M487-F523 HydrophobicContact CE-CD1 3.75Å; M487-F523 HydrophobicContact CE-CG 4.24Å; M487-F523 HydrophobicContact SD-CB 4.41Å; M487-D525 HydrophobicContact CG-CB 4.39Å; M487-D525 HydrophobicContact SD-CB 4.25Å; M487-F530 HydrophobicContact CB-CD2 4.32Å; M487-F530 HydrophobicContact CB-CE2 4.28Å; M487-F530 HydrophobicContact CG-CD2 3.97Å; M487-F530 HydrophobicContact CG-CE2 4.32Å; M487-V552 HydrophobicContact CB-CG2 4.48Å; M487-V552 HydrophobicContact SD-CG1 4.44Å
488	R	93.8	Very high	92.1	Very high	100 Å²	100	52.3 Å²	52.3	38%	0.377	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	130.9	-173.9	-51.2	-168.5	176.6	161.9	-1.9	110.9	P486 G490 Y504	P486-R488 HydrophobicContact CB-CG 4.39Å; P486-R488 WeakPolarHBondContact O-CG 3.49Å; P486-R488 PolarHBondContact O-N 2.9Å; R488-G490 PolarHBondContact O-N 2.01Å; R488-G490 VanDerWaalsContact O-N 3.14Å; R488-Y504 WeakPolarHBondContact CD-O 3.37Å; R488-Y504 WeakPolarHBondContact CG-O 3.31Å; R488-Y504 VanDerWaalsContact CZ-CZ 3.46Å; R488-Y504 PolarHBondContact NE-O 3.31Å; R488-Y504 VanDerWaalsContact NH1-CE2 3.33Å; R488-Y504 PolarHBondContact NH1-OH 2.89Å; R488-Y504 PolarHBondContact NH2-OH 3.34Å
489	F	93.4	Very high	92.1	Very high	96 Å²	96	55.6 Å²	55.6	42%	0.421	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	27.9	169.6	-48.6	-65.1	0	0	0	115.2	R501 T502 Y504	F489-R501 VanDerWaalsContact CB-NH2 3.34Å; F489-R501 PolarHBondContact O-NE 2.96Å; F489-R501 PolarHBondContact O-NH2 2.85Å; F489-R501 VanDerWaalsContact O-NH2 3.1Å; F489-T502 WeakPolarHBondContact CA-O 3.41Å; F489-T502 PolarHBondContact N-O 2.87Å; F489-T502 PolarHBondContact N-OG1 2.55Å; F489-T502 VanDerWaalsContact N-OG1 3.12Å; F489-Y504 HydrophobicContact CE2-CD2 4.27Å; F489-Y504 HydrophobicContact CZ-CD2 4.21Å
490	G	94.6	Very high	92	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.305	C	S	.	.			trans	-75.8	151.5	173.7	0	0	0	0	0	111.7	R488 R501 T502 V524	R488-G490 PolarHBondContact O-N 2.01Å; R488-G490 VanDerWaalsContact O-N 3.14Å; G490-R501 CarbonylContact O-C 2.69Å; G490-R501 VanDerWaalsContact O-CA 3.25Å; G490-R501 WeakPolarHBondContact O-CA 3.33Å; G490-R501 WeakPolarHBondContact O-CG 2.96Å; G490-T502 PolarHBondContact N-OG1 2.77Å; G490-T502 PolarHBondContact O-N 2.83Å; G490-V524 CarbonylContact C-O 3.55Å; G490-V524 VanDerWaalsContact CA-O 3.31Å; G490-V524 WeakPolarHBondContact CA-O 3.4Å
491	H	96.2	Very high	92	Very high	34 Å²	34	62.6 Å²	62.6	16%	0.157	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.3	178.3	-70.3	-44.5	0	0	0	111.8	F493 V524 N526	H491-F493 HydrophobicContact CB-CD2 4.29Å; H491-F493 HydrophobicContact CB-CE2 3.57Å; H491-F493 HydrophobicContact CB-CZ 4.19Å; H491-V524 PolarHBondContact N-O 3.5Å; H491-V524 PolarHBondContact O-N 2.92Å; H491-N526 PolarHBondContact CD2-ND2 2.89Å; H491-N526 PolarHBondContact CD2-OD1 3.37Å; H491-N526 PolarHBondContact NE2-ND2 3.29Å; H491-N526 PolarHBondContact NE2-OD1 3.02Å
492	I	96.4	Very high	92.2	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.4	177.1	-54.3	174.7	0	0	0	108.2	I499 S500 T502 F508 V510 L521 T522 F523	I492-I499 HydrophobicContact CG2-CD1 4.38Å; I492-I499 HydrophobicContact CG2-CG1 4.24Å; I492-I499 WeakPolarHBondContact O-CG1 3.39Å; I492-I499 PolarHBondContact O-N 2.86Å; I492-S500 PolarHBondContact N-O 2.74Å; I492-S500 PolarHBondContact O-N 3.27Å; I492-T502 HydrophobicContact CD1-CG2 4.11Å; I492-T502 HydrophobicContact CG1-CG2 4.4Å; I492-F508 HydrophobicContact CD1-CB 3.45Å; I492-F508 VanDerWaalsContact CD1-CB 3.45Å; I492-F508 HydrophobicContact CD1-CD2 4.09Å; I492-F508 HydrophobicContact CD1-CG 3.82Å; I492-V510 HydrophobicContact CG2-CG2 4.45Å; I492-L521 HydrophobicContact CG2-CB 4.3Å; I492-L521 HydrophobicContact CG2-CD1 4.37Å; I492-L521 HydrophobicContact CG2-CD2 4.22Å; I492-T522 WeakPolarHBondContact CA-O 3.33Å; I492-F523 HydrophobicContact CD1-CD1 4.22Å; I492-F523 HydrophobicContact CD1-CE1 3.73Å; I492-F523 HydrophobicContact CG1-CD1 3.86Å; I492-F523 HydrophobicContact CG1-CE1 3.84Å; I492-F523 HydrophobicContact CG2-CE1 4.47Å
493	F	95	Very high	92.2	Very high	57 Å²	57	57.6 Å²	57.6	25%	0.25	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	145.1	179.5	-64	-99.8	0	0	0	111.1	H491 V497 R498 L521 T522 V524	H491-F493 HydrophobicContact CB-CD2 4.29Å; H491-F493 HydrophobicContact CB-CE2 3.57Å; H491-F493 HydrophobicContact CB-CZ 4.19Å; F493-V497 CarbonylContact C-O 3.56Å; F493-V497 VanDerWaalsContact CA-O 3.26Å; F493-V497 WeakPolarHBondContact CA-O 3.49Å; F493-R498 HydrophobicContact CD1-CB 3.94Å; F493-R498 HydrophobicContact CE1-CB 3.72Å; F493-R498 HydrophobicContact CE1-CG 4.4Å; F493-R498 HydrophobicContact CZ-CB 4.26Å; F493-R498 HydrophobicContact CZ-CG 4.49Å; F493-L521 WeakPolarHBondContact O-CA 3.35Å; F493-T522 PolarHBondContact N-O 3.38Å; F493-T522 PolarHBondContact O-N 3.45Å; F493-V524 HydrophobicContact CD2-CB 4.37Å; F493-V524 HydrophobicContact CD2-CG2 3.8Å; F493-V524 HydrophobicContact CE2-CB 3.97Å; F493-V524 HydrophobicContact CE2-CG2 3.74Å
494	M	92.5	Very high	92	Very high	28 Å²	28	59.4 Å²	59.4	14%	0.138	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	125	171.5	-177.8	175	67.3	0	0	107.5	G496 V497 I499 P513 L519 L521	M494-G496 VanDerWaalsContact C-N 3.28Å; M494-G496 PolarHBondContact O-N 2.97Å; M494-V497 PolarHBondContact N-O 3.34Å; M494-V497 PolarHBondContact O-N 3.25Å; M494-I499 HydrophobicContact CB-CD1 3.71Å; M494-I499 HydrophobicContact CB-CG1 4.1Å; M494-I499 HydrophobicContact CB-CG2 4.07Å; M494-I499 HydrophobicContact CE-CD1 4.33Å; M494-I499 HydrophobicContact CE-CG2 4.18Å; M494-I499 HydrophobicContact SD-CD1 4.35Å; M494-P513 HydrophobicContact CE-CG 3.63Å; M494-P513 HydrophobicContact SD-CG 4.33Å; M494-L519 HydrophobicContact SD-CD1 3.92Å; M494-L521 HydrophobicContact CB-CD2 3.97Å; M494-L521 HydrophobicContact CG-CD2 4.3Å; M494-L521 HydrophobicContact SD-CD2 4.43Å
495	N	83.9	Confident	91.8	Very high	109 Å²	109	62.6 Å²	62.6	58%	0.583	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	44.4	-174	-58	-14.9	0	0	0	113	V497	N495-V497 PolarHBondContact O-N 3.44Å
496	G	83.8	Confident	91.5	Very high	52 Å²	52	60 Å²	60	54%	0.536	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	-8.9	-178	0	0	0	0	0	115.6	M494	M494-G496 VanDerWaalsContact C-N 3.28Å; M494-G496 PolarHBondContact O-N 2.97Å
497	V	91.4	Very high	91.2	Very high	94 Å²	94	62 Å²	62	57%	0.57	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.7	-179.9	-178	0	0	0	0	110.3	F493 M494 N495 I499	F493-V497 CarbonylContact C-O 3.56Å; F493-V497 VanDerWaalsContact CA-O 3.26Å; F493-V497 WeakPolarHBondContact CA-O 3.49Å; M494-V497 PolarHBondContact N-O 3.34Å; M494-V497 PolarHBondContact O-N 3.25Å; N495-V497 PolarHBondContact O-N 3.44Å; V497-I499 PolarHBondContact O-N 3.29Å
498	R	93.4	Very high	91	Very high	158 Å²	158	62.4 Å²	62.4	60%	0.596	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	118.8	175.2	-174	-178	69.6	-175.6	0	110.3	F493	F493-R498 HydrophobicContact CD1-CB 3.94Å; F493-R498 HydrophobicContact CE1-CB 3.72Å; F493-R498 HydrophobicContact CE1-CG 4.4Å; F493-R498 HydrophobicContact CZ-CB 4.26Å; F493-R498 HydrophobicContact CZ-CG 4.49Å
499	I	93.8	Very high	90.7	Very high	69 Å²	69	60.3 Å²	60.3	35%	0.354	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-28.1	-176.2	56.7	157.6	0	0	0	114.3	I492 M494 V497 V510 L521	I492-I499 HydrophobicContact CG2-CD1 4.38Å; I492-I499 HydrophobicContact CG2-CG1 4.24Å; I492-I499 WeakPolarHBondContact O-CG1 3.39Å; I492-I499 PolarHBondContact O-N 2.86Å; M494-I499 HydrophobicContact CB-CD1 3.71Å; M494-I499 HydrophobicContact CB-CG1 4.1Å; M494-I499 HydrophobicContact CB-CG2 4.07Å; M494-I499 HydrophobicContact CE-CD1 4.33Å; M494-I499 HydrophobicContact CE-CG2 4.18Å; M494-I499 HydrophobicContact SD-CD1 4.35Å; V497-I499 PolarHBondContact O-N 3.29Å; I499-V510 HydrophobicContact CD1-CB 4.38Å; I499-V510 HydrophobicContact CD1-CG1 3.51Å; I499-V510 HydrophobicContact CD1-CG2 3.89Å; I499-L521 HydrophobicContact CD1-CD2 3.86Å
500	S	93	Very high	90.5	Very high	34 Å²	34	56 Å²	56	24%	0.238	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	177.7	-173.8	-168	0	0	0	0	111.9	I492 S509	I492-S500 PolarHBondContact N-O 2.74Å; I492-S500 PolarHBondContact O-N 3.27Å; S500-S509 PolarHBondContact OG-O 3.19Å
501	R	93.3	Very high	90.2	Very high	126 Å²	126	61.3 Å²	61.3	48%	0.475	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.8	178.6	-164.3	-175.4	-167.9	-178	0.9	110.1	F489 G490 N526	F489-R501 VanDerWaalsContact CB-NH2 3.34Å; F489-R501 PolarHBondContact O-NE 2.96Å; F489-R501 PolarHBondContact O-NH2 2.85Å; F489-R501 VanDerWaalsContact O-NH2 3.1Å; G490-R501 CarbonylContact O-C 2.69Å; G490-R501 VanDerWaalsContact O-CA 3.25Å; G490-R501 WeakPolarHBondContact O-CA 3.33Å; G490-R501 WeakPolarHBondContact O-CG 2.96Å; R501-N526 PolarHBondContact NH2-ND2 3.37Å
502	T	93.3	Very high	89.9	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	31%	0.311	C	S	.	.			trans	-74.7	148.5	174.3	63.8	0	0	0	0	112.3	A478 M487 F489 G490 I492 T507 F508	A478-T502 HydrophobicContact CB-CG2 4.26Å; M487-T502 HydrophobicContact CE-CG2 3.68Å; M487-T502 WeakPolarHBondContact O-CB 3.32Å; M487-T502 PolarHBondContact O-OG1 2.97Å; F489-T502 WeakPolarHBondContact CA-O 3.41Å; F489-T502 PolarHBondContact N-O 2.87Å; F489-T502 PolarHBondContact N-OG1 2.55Å; F489-T502 VanDerWaalsContact N-OG1 3.12Å; G490-T502 PolarHBondContact N-OG1 2.77Å; G490-T502 PolarHBondContact O-N 2.83Å; I492-T502 HydrophobicContact CD1-CG2 4.11Å; I492-T502 HydrophobicContact CG1-CG2 4.4Å; T502-T507 CarbonylContact C-O 3.49Å; T502-T507 VanDerWaalsContact CA-O 3.26Å; T502-T507 WeakPolarHBondContact CA-O 3.27Å; T502-F508 HydrophobicContact CG2-CB 4.35Å
503	G	88.3	Confident	89.4	Confident	24 Å²	24	62.7 Å²	62.7	25%	0.247	33%	0.326	C	S	.	.			trans	-79.3	-172.5	174.5	0	0	0	0	0	113.9	K505 G506 T507	G503-K505 VanDerWaalsContact C-N 3.32Å; G503-K505 PolarHBondContact O-N 3.04Å; G503-G506 PolarHBondContact O-N 3.02Å; G503-T507 PolarHBondContact N-O 3.04Å
504	Y	86.3	Confident	88.4	Confident	139 Å²	139	65.5 Å²	65.5	55%	0.545	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.6	179.5	-179.2	-97.7	0	0	0	113.7	R488 F489 G506	R488-Y504 WeakPolarHBondContact CD-O 3.37Å; R488-Y504 WeakPolarHBondContact CG-O 3.31Å; R488-Y504 VanDerWaalsContact CZ-CZ 3.46Å; R488-Y504 PolarHBondContact NE-O 3.31Å; R488-Y504 VanDerWaalsContact NH1-CE2 3.33Å; R488-Y504 PolarHBondContact NH1-OH 2.89Å; R488-Y504 PolarHBondContact NH2-OH 3.34Å; F489-Y504 HydrophobicContact CE2-CD2 4.27Å; F489-Y504 HydrophobicContact CZ-CD2 4.21Å; Y504-G506 VanDerWaalsContact C-N 3.27Å
505	K	83.1	Confident	87.6	Confident	103 Å²	103	68.8 Å²	68.8	45%	0.448	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	13.7	172.8	-64.4	-174.3	-178.5	179.8	0	112.6	P486 G503 T507 D1083	P486-K505 VanDerWaalsContact CB-C 3.45Å; G503-K505 VanDerWaalsContact C-N 3.32Å; G503-K505 PolarHBondContact O-N 3.04Å; K505-T507 HydrophobicContact CB-CG2 4.26Å; K505-T507 PolarHBondContact O-N 3.17Å; K505-D1083 PolarHBondContact NZ-O 2.82Å
506	G	87.3	Confident	87.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	73.3	8.3	-176.5	0	0	0	0	0	113.9	R477 A478 M487 G503 Y504	R477-G506 CarbonylContact C-O 3.49Å; R477-G506 VanDerWaalsContact CA-O 3.29Å; R477-G506 WeakPolarHBondContact CA-O 3.32Å; A478-G506 PolarHBondContact N-O 2.94Å; M487-G506 WeakPolarHBondContact O-CA 3.47Å; G503-G506 PolarHBondContact O-N 3.02Å; Y504-G506 VanDerWaalsContact C-N 3.27Å
507	T	87.1	Confident	87.2	Confident	73 Å²	73	65.8 Å²	65.8	45%	0.448	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	146.5	-177.5	48.8	0	0	0	0	112.2	G476 R477 T502 G503 K505	G476-T507 CarbonylContact O-C 3.56Å; G476-T507 WeakPolarHBondContact O-CA 3.38Å; R477-T507 HydrophobicContact CB-CG2 4.43Å; T502-T507 CarbonylContact C-O 3.49Å; T502-T507 VanDerWaalsContact CA-O 3.26Å; T502-T507 WeakPolarHBondContact CA-O 3.27Å; G503-T507 PolarHBondContact N-O 3.04Å; K505-T507 HydrophobicContact CB-CG2 4.26Å; K505-T507 PolarHBondContact O-N 3.17Å
508	F	90.3	Very high	87.1	Confident	12 Å²	12	64.1 Å²	64.1	5%	0.053	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	158.7	175.1	68.2	-87.2	0	0	0	111.3	V474 Y475 G476 I492 T502 V510 F523 I550	V474-F508 HydrophobicContact CG1-CE2 4.25Å; Y475-F508 CarbonylContact C-O 3.45Å; Y475-F508 WeakPolarHBondContact CA-O 3.49Å; Y475-F508 WeakPolarHBondContact CB-O 3.38Å; G476-F508 VanDerWaalsContact C-CE1 3.49Å; G476-F508 PolarHBondContact N-O 2.91Å; G476-F508 PolarHBondContact O-N 3.04Å; I492-F508 HydrophobicContact CD1-CB 3.45Å; I492-F508 VanDerWaalsContact CD1-CB 3.45Å; I492-F508 HydrophobicContact CD1-CD2 4.09Å; I492-F508 HydrophobicContact CD1-CG 3.82Å; T502-F508 HydrophobicContact CG2-CB 4.35Å; F508-V510 HydrophobicContact CD2-CG2 4.27Å; F508-F523 AromaticContact CD1-CE1 3.94Å; F508-F523 HydrophobicContact CD1-CE1 3.94Å; F508-F523 HydrophobicContact CD1-CZ 4.42Å; F508-F523 HydrophobicContact CD2-CE1 4.49Å; F508-F523 AromaticContact CE1-CE1 3.92Å; F508-F523 HydrophobicContact CE1-CE1 3.92Å; F508-F523 AromaticContact CE1-CZ 3.99Å; F508-F523 HydrophobicContact CE1-CZ 3.99Å; F508-F523 HydrophobicContact CE2-CE1 4.46Å; F508-F523 HydrophobicContact CE2-CZ 4.11Å; F508-F523 HydrophobicContact CG-CE1 4.25Å; F508-F523 HydrophobicContact CZ-CE1 4.19Å; F508-F523 AromaticContact CZ-CZ 3.83Å; F508-F523 HydrophobicContact CZ-CZ 3.83Å; F508-I550 HydrophobicContact CE1-CG1 3.59Å; F508-I550 HydrophobicContact CZ-CD1 4.25Å; F508-I550 HydrophobicContact CZ-CG1 3.66Å
509	S	87.3	Confident	87	Confident	55 Å²	55	56.6 Å²	56.6	39%	0.385	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	136	170	-177.3	0	0	0	0	108.7	V473 V474 S500	V473-S509 WeakPolarHBondContact CG1-OG 3.39Å; V474-S509 CarbonylContact O-C 3.58Å; S500-S509 PolarHBondContact OG-O 3.19Å
510	V	90.5	Very high	87	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.036	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	124.4	-176.8	171.8	0	0	0	0	108.5	V474 I492 I499 F508 L521	V474-V510 PolarHBondContact N-O 2.95Å; V474-V510 PolarHBondContact O-N 2.84Å; I492-V510 HydrophobicContact CG2-CG2 4.45Å; I499-V510 HydrophobicContact CD1-CB 4.38Å; I499-V510 HydrophobicContact CD1-CG1 3.51Å; I499-V510 HydrophobicContact CD1-CG2 3.89Å; F508-V510 HydrophobicContact CD2-CG2 4.27Å; V510-L521 HydrophobicContact CG1-CD2 4.43Å; V510-L521 HydrophobicContact CG2-CD1 4.24Å
511	Q	87.9	Confident	87.2	Confident	111 Å²	111	52 Å²	52	52%	0.519	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	131.1	169.6	-69.5	-179.7	-17	0	0	109.6	V473 P513	V473-Q511 HydrophobicContact CG2-CG 4.46Å; Q511-P513 WeakPolarHBondContact O-CD 3.45Å
512	V	89.4	Confident	87.3	Confident	14 Å²	14	47 Å²	47	9%	0.085	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	123.9	-179.1	-176.7	0	0	0	0	109.2	A472 V474 T516 L519 F539	A472-V512 HydrophobicContact CB-CB 3.96Å; A472-V512 HydrophobicContact CB-CG2 4.18Å; A472-V512 WeakPolarHBondContact O-CB 3.44Å; A472-V512 WeakPolarHBondContact O-CG2 3.26Å; A472-V512 PolarHBondContact O-N 3.17Å; V474-V512 HydrophobicContact CG2-CG2 3.96Å; V512-T516 HydrophobicContact CG1-CG2 3.91Å; V512-L519 HydrophobicContact CG1-CD1 4.45Å; V512-L519 HydrophobicContact CG2-CD1 4.28Å; V512-L519 HydrophobicContact CG2-CD2 3.79Å; V512-F539 HydrophobicContact CG1-CD2 4.09Å; V512-F539 HydrophobicContact CG1-CE1 4.49Å; V512-F539 HydrophobicContact CG1-CE2 3.93Å; V512-F539 HydrophobicContact CG1-CG 4.45Å; V512-F539 HydrophobicContact CG1-CZ 4.18Å; V512-F539 HydrophobicContact CG2-CD2 4.46Å; V512-F539 HydrophobicContact CG2-CG 4.36Å
513	P	86.9	Confident	87.4	Confident	50 Å²	50	46.9 Å²	46.9	33%	0.325	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-60	147.6	175.5	-22.9	30.5	0	0	0	112.9	M494 Q511 D515 T516	M494-P513 HydrophobicContact CE-CG 3.63Å; M494-P513 HydrophobicContact SD-CG 4.33Å; Q511-P513 WeakPolarHBondContact O-CD 3.45Å; P513-D515 PolarHBondContact O-N 2.89Å; P513-T516 WeakPolarHBondContact CB-OG1 3.26Å; P513-T516 WeakPolarHBondContact CD-OG1 3.38Å; P513-T516 WeakPolarHBondContact CG-OG1 2.92Å; P513-T516 WeakPolarHBondContact O-CB 3.45Å; P513-T516 PolarHBondContact O-N 3.01Å; P513-T516 PolarHBondContact O-OG1 3.11Å
514	P	74.4	Confident	87.8	Confident	116 Å²	116	47 Å²	47	75%	0.753	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	1.8	-170.8	27.7	-35.6	0	0	0	116
515	D	75.3	Confident	88.1	Confident	96 Å²	96	40.6 Å²	40.6	51%	0.513	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	4.7	175.4	-56.6	-51.6	0	0	0	112	K430 P513 E517	K430-D515 IonicContact NZ-OD1 2.71Å; K430-D515 PolarHBondContact NZ-OD1 2.81Å; K430-D515 IonicContact NZ-OD2 3.46Å; P513-D515 PolarHBondContact O-N 2.89Å; D515-E517 PolarHBondContact O-N 2.93Å
516	T	82	Confident	88.4	Confident	33 Å²	33	39.2 Å²	39.2	20%	0.202	22%	0.219	C	C	.	.			trans	-76.3	119.5	178.6	-62.4	0	0	0	0	108.9	V512 P513 L519 F539	V512-T516 HydrophobicContact CG1-CG2 3.91Å; P513-T516 WeakPolarHBondContact CB-OG1 3.26Å; P513-T516 WeakPolarHBondContact CD-OG1 3.38Å; P513-T516 WeakPolarHBondContact CG-OG1 2.92Å; P513-T516 WeakPolarHBondContact O-CB 3.45Å; P513-T516 PolarHBondContact O-N 3.01Å; P513-T516 PolarHBondContact O-OG1 3.11Å; T516-L519 HydrophobicContact CG2-CB 4.23Å; T516-L519 HydrophobicContact CG2-CD1 4.21Å; T516-F539 WeakPolarHBondContact O-CZ 3.47Å
517	E	77.9	Confident	88.4	Confident	66 Å²	66	46.3 Å²	46.3	31%	0.308	25%	0.254	S	S	.	.	S	Bend	trans	-97.7	-32.7	174.1	-74	-168.2	165.5	0	0	113.5	N299 K370 D515	N299-E517 WeakPolarHBondContact CB-OE1 3.42Å; N299-E517 PolarHBondContact ND2-OE1 2.64Å; N299-E517 PolarHBondContact ND2-OE2 2.82Å; K370-E517 HydrophobicContact CD-CG 4.4Å; K370-E517 WeakPolarHBondContact CD-OE1 3.45Å; K370-E517 WeakPolarHBondContact CD-OE2 3.18Å; K370-E517 WeakPolarHBondContact CE-OE2 3.31Å; K370-E517 VanDerWaalsContact CG-OE2 3.31Å; K370-E517 WeakPolarHBondContact CG-OE2 3.42Å; K370-E517 IonicContact NZ-OE2 2.77Å; D515-E517 PolarHBondContact O-N 2.93Å
518	R	87.5	Confident	88.3	Confident	59 Å²	59	46.6 Å²	46.6	22%	0.223	25%	0.25	C	S	.	.	S	Bend	trans	-127.9	103.4	-175.9	-170.5	179.1	169.7	84.9	-2.9	106.3	V520 V536 D623 T687 G688	R518-V520 HydrophobicContact CG-CG2 4.07Å; R518-V520 PolarHBondContact O-N 2.88Å; R518-V520 VanDerWaalsContact O-N 3.12Å; R518-V536 HydrophobicContact CG-CG1 3.66Å; R518-D623 IonicContact CZ-OD1 3.68Å; R518-D623 IonicContact CZ-OD2 2.67Å; R518-D623 IonicContact NH1-OD1 3.95Å; R518-D623 IonicContact NH1-OD2 3.22Å; R518-D623 PolarHBondContact NH1-OD2 2.84Å; R518-D623 IonicContact NH2-OD1 3.02Å; R518-D623 PolarHBondContact NH2-OD1 3.47Å; R518-D623 IonicContact NH2-OD2 2.58Å; R518-D623 PolarHBondContact NH2-OD2 3.43Å; R518-T687 PolarHBondContact NE-O 2.94Å; R518-G688 PolarHBondContact NH2-O 3.03Å
519	L	92.8	Very high	88.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	96.9	-177.4	-178.4	66.3	0	0	0	109.2	V474 M494 V512 T516 L521 V536 L537 F539	V474-L519 HydrophobicContact CB-CD2 3.76Å; V474-L519 HydrophobicContact CG1-CD2 4.08Å; V474-L519 HydrophobicContact CG2-CD2 3.47Å; V474-L519 VanDerWaalsContact CG2-CD2 3.47Å; M494-L519 HydrophobicContact SD-CD1 3.92Å; V512-L519 HydrophobicContact CG1-CD1 4.45Å; V512-L519 HydrophobicContact CG2-CD1 4.28Å; V512-L519 HydrophobicContact CG2-CD2 3.79Å; T516-L519 HydrophobicContact CG2-CB 4.23Å; T516-L519 HydrophobicContact CG2-CD1 4.21Å; L519-L521 HydrophobicContact CD1-CD2 4.06Å; L519-L521 HydrophobicContact CD1-CG 4.31Å; L519-L521 HydrophobicContact CD2-CD1 4.39Å; L519-L521 HydrophobicContact CG-CD1 4.42Å; L519-L521 HydrophobicContact CG-CD2 4.43Å; L519-L521 HydrophobicContact CG-CG 4.13Å; L519-V536 WeakPolarHBondContact O-CA 3Å; L519-L537 HydrophobicContact CD2-CB 4.25Å; L519-L537 PolarHBondContact O-N 3.2Å; L519-F539 HydrophobicContact CB-CD1 3.77Å; L519-F539 HydrophobicContact CB-CE1 3.92Å; L519-F539 HydrophobicContact CD2-CD1 4.44Å
520	V	94.3	Very high	88.6	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.5	178.3	-170.6	0	0	0	0	108.9	R518 T534 K535 V536 P685 T687	R518-V520 HydrophobicContact CG-CG2 4.07Å; R518-V520 PolarHBondContact O-N 2.88Å; R518-V520 VanDerWaalsContact O-N 3.12Å; V520-T534 HydrophobicContact CG1-CG2 3.53Å; V520-K535 WeakPolarHBondContact CA-O 3.41Å; V520-V536 HydrophobicContact CG2-CG2 4.37Å; V520-P685 WeakPolarHBondContact CG1-O 3.28Å; V520-T687 WeakPolarHBondContact CG2-O 3.14Å
521	L	96.2	Very high	88.7	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.8	177.9	-61.1	-176.9	0	0	0	110.5	I492 F493 M494 I499 V510 L519 F523 T534 K535 L537	I492-L521 HydrophobicContact CG2-CB 4.3Å; I492-L521 HydrophobicContact CG2-CD1 4.37Å; I492-L521 HydrophobicContact CG2-CD2 4.22Å; F493-L521 WeakPolarHBondContact O-CA 3.35Å; M494-L521 HydrophobicContact CB-CD2 3.97Å; M494-L521 HydrophobicContact CG-CD2 4.3Å; M494-L521 HydrophobicContact SD-CD2 4.43Å; I499-L521 HydrophobicContact CD1-CD2 3.86Å; V510-L521 HydrophobicContact CG1-CD2 4.43Å; V510-L521 HydrophobicContact CG2-CD1 4.24Å; L519-L521 HydrophobicContact CD1-CD2 4.06Å; L519-L521 HydrophobicContact CD1-CG 4.31Å; L519-L521 HydrophobicContact CD2-CD1 4.39Å; L519-L521 HydrophobicContact CG-CD1 4.42Å; L519-L521 HydrophobicContact CG-CD2 4.43Å; L519-L521 HydrophobicContact CG-CG 4.13Å; L521-F523 HydrophobicContact CB-CE2 3.86Å; L521-F523 HydrophobicContact CB-CZ 4.35Å; L521-F523 HydrophobicContact CD1-CZ 4.38Å; L521-T534 CarbonylContact O-C 3.22Å; L521-T534 WeakPolarHBondContact O-CA 3.39Å; L521-K535 PolarHBondContact N-O 2.82Å; L521-K535 PolarHBondContact O-N 3.12Å; L521-L537 HydrophobicContact CD1-CD1 3.86Å
522	T	95.9	Very high	89	Confident	21 Å²	21	45.2 Å²	45.2	13%	0.129	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.7	173.1	-53.7	0	0	0	0	110.2	I492 F493 V524 T534	I492-T522 WeakPolarHBondContact CA-O 3.33Å; F493-T522 PolarHBondContact N-O 3.38Å; F493-T522 PolarHBondContact O-N 3.45Å; T522-V524 HydrophobicContact CG2-CG2 4.01Å; T522-T534 WeakPolarHBondContact CG2-OG1 3.47Å; T522-T534 PolarHBondContact OG1-OG1 3.07Å
523	F	95.8	Very high	89.1	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.3	177.2	-64.9	-96.2	0	0	0	109.3	A478 M487 I492 F508 L521 N532 T533 I550	A478-F523 HydrophobicContact CB-CD1 4.25Å; A478-F523 HydrophobicContact CB-CE1 4.46Å; M487-F523 HydrophobicContact CE-CB 3.82Å; M487-F523 HydrophobicContact CE-CD1 3.75Å; M487-F523 HydrophobicContact CE-CG 4.24Å; M487-F523 HydrophobicContact SD-CB 4.41Å; I492-F523 HydrophobicContact CD1-CD1 4.22Å; I492-F523 HydrophobicContact CD1-CE1 3.73Å; I492-F523 HydrophobicContact CG1-CD1 3.86Å; I492-F523 HydrophobicContact CG1-CE1 3.84Å; I492-F523 HydrophobicContact CG2-CE1 4.47Å; F508-F523 AromaticContact CD1-CE1 3.94Å; F508-F523 HydrophobicContact CD1-CE1 3.94Å; F508-F523 HydrophobicContact CD1-CZ 4.42Å; F508-F523 HydrophobicContact CD2-CE1 4.49Å; F508-F523 AromaticContact CE1-CE1 3.92Å; F508-F523 HydrophobicContact CE1-CE1 3.92Å; F508-F523 AromaticContact CE1-CZ 3.99Å; F508-F523 HydrophobicContact CE1-CZ 3.99Å; F508-F523 HydrophobicContact CE2-CE1 4.46Å; F508-F523 HydrophobicContact CE2-CZ 4.11Å; F508-F523 HydrophobicContact CG-CE1 4.25Å; F508-F523 HydrophobicContact CZ-CE1 4.19Å; F508-F523 AromaticContact CZ-CZ 3.83Å; F508-F523 HydrophobicContact CZ-CZ 3.83Å; L521-F523 HydrophobicContact CB-CE2 3.86Å; L521-F523 HydrophobicContact CB-CZ 4.35Å; L521-F523 HydrophobicContact CD1-CZ 4.38Å; F523-N532 WeakPolarHBondContact O-CA 3.45Å; F523-T533 PolarHBondContact N-O 3.03Å; F523-T533 PolarHBondContact O-N 3.47Å; F523-I550 HydrophobicContact CD2-CG2 4.02Å; F523-I550 HydrophobicContact CE1-CG1 4.38Å; F523-I550 HydrophobicContact CE2-CD1 4.38Å; F523-I550 HydrophobicContact CE2-CG1 4.1Å; F523-I550 HydrophobicContact CE2-CG2 3.99Å; F523-I550 HydrophobicContact CG-CG2 4.42Å; F523-I550 HydrophobicContact CZ-CD1 4.39Å; F523-I550 HydrophobicContact CZ-CG1 3.8Å; F523-I550 HydrophobicContact CZ-CG2 4.34Å
524	V	94.8	Very high	89.5	Confident	27 Å²	27	42.4 Å²	42.4	16%	0.164	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.6	-177	-179.7	0	0	0	0	109.2	G490 H491 F493 T522	G490-V524 CarbonylContact C-O 3.55Å; G490-V524 VanDerWaalsContact CA-O 3.31Å; G490-V524 WeakPolarHBondContact CA-O 3.4Å; H491-V524 PolarHBondContact N-O 3.5Å; H491-V524 PolarHBondContact O-N 2.92Å; F493-V524 HydrophobicContact CD2-CB 4.37Å; F493-V524 HydrophobicContact CD2-CG2 3.8Å; F493-V524 HydrophobicContact CE2-CB 3.97Å; F493-V524 HydrophobicContact CE2-CG2 3.74Å; T522-V524 HydrophobicContact CG2-CG2 4.01Å
525	D	93.6	Very high	90.5	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	19%	0.188	C	C	.	.			trans	-86.2	124.1	178.3	177.3	29.3	0	0	0	111.7	M487 M527 Q528 K529 F530	M487-D525 HydrophobicContact CG-CB 4.39Å; M487-D525 HydrophobicContact SD-CB 4.25Å; D525-M527 PolarHBondContact O-N 2.75Å; D525-M527 PolarHBondContact OD1-N 3.47Å; D525-Q528 PolarHBondContact O-N 2.66Å; D525-Q528 PolarHBondContact O-NE2 2.64Å; D525-Q528 VanDerWaalsContact O-NE2 3.07Å; D525-Q528 PolarHBondContact OD2-N 2.81Å; D525-K529 WeakPolarHBondContact OD2-CA 3.44Å; D525-K529 VanDerWaalsContact OD2-CB 3.29Å; D525-K529 WeakPolarHBondContact OD2-CB 3.35Å; D525-K529 PolarHBondContact OD2-N 3.11Å; D525-F530 HydrophobicContact CB-CB 4.11Å; D525-F530 HydrophobicContact CB-CD2 4.16Å; D525-F530 PolarHBondContact OD2-N 2.86Å
526	N	88.6	Confident	91.3	Very high	73 Å²	73	34.4 Å²	34.4	39%	0.39	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.9	178.3	-70.5	12.7	0	0	0	112.2	H491 R501 Q528	H491-N526 PolarHBondContact CD2-ND2 2.89Å; H491-N526 PolarHBondContact CD2-OD1 3.37Å; H491-N526 PolarHBondContact NE2-ND2 3.29Å; H491-N526 PolarHBondContact NE2-OD1 3.02Å; R501-N526 PolarHBondContact NH2-ND2 3.37Å; N526-Q528 VanDerWaalsContact C-N 3.27Å
527	M	87	Confident	91.9	Very high	149 Å²	149	33.3 Å²	33.3	73%	0.734	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.8	178.1	-62.7	-175.9	73.9	0	0	112.9	D525 K529	D525-M527 PolarHBondContact O-N 2.75Å; D525-M527 PolarHBondContact OD1-N 3.47Å; M527-K529 PolarHBondContact O-N 3.26Å; M527-K529 VanDerWaalsContact O-N 3.12Å
528	Q	85.9	Confident	92.5	Very high	79 Å²	79	31.7 Å²	31.7	37%	0.369	16%	0.16	S	C	.	.	S	Bend	trans	54.9	26.7	-179	-62	-67.2	-53.1	0	0	113.8	D525 N526 K555	D525-Q528 PolarHBondContact O-N 2.66Å; D525-Q528 PolarHBondContact O-NE2 2.64Å; D525-Q528 VanDerWaalsContact O-NE2 3.07Å; D525-Q528 PolarHBondContact OD2-N 2.81Å; N526-Q528 VanDerWaalsContact C-N 3.27Å; Q528-K555 WeakPolarHBondContact O-CD 3.33Å
529	K	91.2	Very high	92.6	Very high	79 Å²	79	30.1 Å²	30.1	34%	0.343	15%	0.154	S	C	.	.			trans	-86.4	-29.8	178.6	-177.3	169.3	170.6	175.6	0	111.8	E485 D525 M527 K555	E485-K529 IonicContact OE1-NZ 2.68Å; E485-K529 PolarHBondContact OE1-NZ 2.97Å; E485-K529 WeakPolarHBondContact OE2-CE 3.36Å; E485-K529 IonicContact OE2-NZ 3.36Å; E485-K529 PolarHBondContact OE2-NZ 3.04Å; D525-K529 WeakPolarHBondContact OD2-CA 3.44Å; D525-K529 VanDerWaalsContact OD2-CB 3.29Å; D525-K529 WeakPolarHBondContact OD2-CB 3.35Å; D525-K529 PolarHBondContact OD2-N 3.11Å; M527-K529 PolarHBondContact O-N 3.26Å; M527-K529 VanDerWaalsContact O-N 3.12Å; K529-K555 PolarHBondContact O-N 2.92Å
530	F	93.4	Very high	91.9	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.018	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-109.7	151.2	179.1	-57.2	-71.1	0	0	0	112.2	A480 M487 D525 V552 L553 R554 K555	A480-F530 HydrophobicContact CB-CD1 4.47Å; A480-F530 HydrophobicContact CB-CE1 3.48Å; A480-F530 VanDerWaalsContact CB-CE1 3.48Å; A480-F530 HydrophobicContact CB-CZ 3.92Å; M487-F530 HydrophobicContact CB-CD2 4.32Å; M487-F530 HydrophobicContact CB-CE2 4.28Å; M487-F530 HydrophobicContact CG-CD2 3.97Å; M487-F530 HydrophobicContact CG-CE2 4.32Å; D525-F530 HydrophobicContact CB-CB 4.11Å; D525-F530 HydrophobicContact CB-CD2 4.16Å; D525-F530 PolarHBondContact OD2-N 2.86Å; F530-V552 HydrophobicContact CB-CB 4.39Å; F530-V552 HydrophobicContact CB-CG2 4.12Å; F530-V552 HydrophobicContact CD1-CG2 3.71Å; F530-V552 HydrophobicContact CD2-CG2 4.36Å; F530-V552 HydrophobicContact CE1-CG2 4.21Å; F530-V552 HydrophobicContact CG-CG2 3.79Å; F530-L553 CarbonylContact C-O 3.57Å; F530-L553 WeakPolarHBondContact CA-O 3.38Å; F530-R554 VanDerWaalsContact CE1-NH1 3.33Å; F530-K555 VanDerWaalsContact O-CE 3.23Å; F530-K555 WeakPolarHBondContact O-CE 3.5Å
531	V	92.3	Very high	91	Very high	7 Å²	7	37 Å²	37	4%	0.042	20%	0.196	C	C	.	.			trans	-66.1	142.7	170.4	176.7	0	0	0	0	108.5	T533 L553 K555 T607 S643 L723	V531-T533 PolarHBondContact O-N 2.85Å; V531-T533 PolarHBondContact O-OG1 3.09Å; V531-L553 HydrophobicContact CG2-CB 4.4Å; V531-L553 PolarHBondContact N-O 2.62Å; V531-K555 HydrophobicContact CG2-CG 3.92Å; V531-T607 HydrophobicContact CG2-CG2 3.88Å; V531-S643 WeakPolarHBondContact CG1-OG 3.21Å; V531-L723 HydrophobicContact CG1-CD2 4.23Å
532	N	92.9	Very high	89.7	Confident	66 Å²	66	42.5 Å²	42.5	35%	0.353	22%	0.219	S	C	.	.			trans	-64	117.3	172.8	-67.6	-5.5	0	0	0	108.7	F523	F523-N532 WeakPolarHBondContact O-CA 3.45Å
533	T	93.1	Very high	88.5	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121.1	-173.8	-60.3	0	0	0	0	109.9	F523 V531 K535	F523-T533 PolarHBondContact N-O 3.03Å; F523-T533 PolarHBondContact O-N 3.47Å; V531-T533 PolarHBondContact O-N 2.85Å; V531-T533 PolarHBondContact O-OG1 3.09Å; T533-K535 HydrophobicContact CG2-CD 4.26Å; T533-K535 HydrophobicContact CG2-CG 4.09Å
534	T	95.1	Very high	87.5	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.6	171.9	-60.2	0	0	0	0	109.7	V520 L521 T522 S621 S622 L683	V520-T534 HydrophobicContact CG1-CG2 3.53Å; L521-T534 CarbonylContact O-C 3.22Å; L521-T534 WeakPolarHBondContact O-CA 3.39Å; T522-T534 WeakPolarHBondContact CG2-OG1 3.47Å; T522-T534 PolarHBondContact OG1-OG1 3.07Å; T534-S621 CarbonylContact O-C 3.59Å; T534-S621 WeakPolarHBondContact O-CA 2.87Å; T534-S622 PolarHBondContact O-N 3.4Å; T534-L683 HydrophobicContact CG2-CD2 4.43Å
535	K	94.1	Very high	86.7	Confident	18 Å²	18	41.4 Å²	41.4	8%	0.078	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.6	179.9	-70.5	-64	-165.9	168.5	0	111	V520 L521 T533 L537 I550 A618 A620	V520-K535 WeakPolarHBondContact CA-O 3.41Å; L521-K535 PolarHBondContact N-O 2.82Å; L521-K535 PolarHBondContact O-N 3.12Å; T533-K535 HydrophobicContact CG2-CD 4.26Å; T533-K535 HydrophobicContact CG2-CG 4.09Å; K535-L537 HydrophobicContact CB-CD2 3.8Å; K535-L537 HydrophobicContact CB-CG 4.2Å; K535-I550 HydrophobicContact CG-CD1 4.35Å; K535-I550 HydrophobicContact CG-CG2 4.06Å; K535-A618 PolarHBondContact NZ-O 2.85Å; K535-A620 WeakPolarHBondContact CE-O 3.5Å; K535-A620 PolarHBondContact NZ-O 3.25Å
536	V	94	Very high	86.2	Confident	26 Å²	26	41.3 Å²	41.3	16%	0.158	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.5	169.4	179.7	0	0	0	0	106.2	R518 L519 V520 D623	R518-V536 HydrophobicContact CG-CG1 3.66Å; L519-V536 WeakPolarHBondContact O-CA 3Å; V520-V536 HydrophobicContact CG2-CG2 4.37Å; V536-D623 HydrophobicContact CB-CB 4.31Å
537	L	93	Very high	85.9	Confident	11 Å²	11	39.5 Å²	39.5	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.9	-172.6	-58.7	-178	0	0	0	110.4	V474 L519 L521 K535 H548 I550	V474-L537 HydrophobicContact CG1-CD1 3.7Å; L519-L537 HydrophobicContact CD2-CB 4.25Å; L519-L537 PolarHBondContact O-N 3.2Å; L521-L537 HydrophobicContact CD1-CD1 3.86Å; K535-L537 HydrophobicContact CB-CD2 3.8Å; K535-L537 HydrophobicContact CB-CG 4.2Å; L537-H548 HydrophobicContact CD1-CB 4.37Å; L537-H548 HydrophobicContact CD2-CB 4.35Å; L537-I550 HydrophobicContact CD1-CD1 3.96Å; L537-I550 HydrophobicContact CD2-CD1 3.56Å; L537-I550 HydrophobicContact CG-CD1 4.39Å
538	P	91	Very high	86	Confident	32 Å²	32	33.1 Å²	33.1	21%	0.208	17%	0.172	C	C	.	.			trans	-71.8	142.4	171.8	32.7	-36.5	0	0	0	109.6	H548 V782	P538-H548 VanDerWaalsContact CD-CE1 3.48Å; P538-H548 WeakPolarHBondContact CD-CE1 3.39Å; P538-H548 PolarHBondContact O-CE1 3.15Å; P538-H548 PolarHBondContact O-NE2 2.78Å; P538-V782 HydrophobicContact CB-CG2 4Å; P538-V782 HydrophobicContact CG-CG2 4.22Å
539	F	88.9	Confident	86.1	Confident	26 Å²	26	32.2 Å²	32.2	11%	0.114	17%	0.168	C	C	.	.			trans	-140.1	165	-179.8	62.2	-83.9	0	0	0	109.4	A472 V474 V512 T516 L519 T541	A472-F539 HydrophobicContact CB-CD2 3.96Å; V474-F539 HydrophobicContact CG2-CB 3.64Å; V512-F539 HydrophobicContact CG1-CD2 4.09Å; V512-F539 HydrophobicContact CG1-CE1 4.49Å; V512-F539 HydrophobicContact CG1-CE2 3.93Å; V512-F539 HydrophobicContact CG1-CG 4.45Å; V512-F539 HydrophobicContact CG1-CZ 4.18Å; V512-F539 HydrophobicContact CG2-CD2 4.46Å; V512-F539 HydrophobicContact CG2-CG 4.36Å; T516-F539 WeakPolarHBondContact O-CZ 3.47Å; L519-F539 HydrophobicContact CB-CD1 3.77Å; L519-F539 HydrophobicContact CB-CE1 3.92Å; L519-F539 HydrophobicContact CD2-CD1 4.44Å; F539-T541 HydrophobicContact CE2-CG2 3.85Å; F539-T541 HydrophobicContact CZ-CG2 4.25Å; F539-T541 PolarHBondContact O-N 2.8Å
540	N	79.3	Confident	86.2	Confident	35 Å²	35	28.6 Å²	28.6	19%	0.187	15%	0.152	C	C	.	.			trans	-82.9	113.2	176.8	-171.3	-4.9	0	0	0	110.1	A472 K542 G543 V546	A472-N540 WeakPolarHBondContact CB-O 3.48Å; N540-K542 PolarHBondContact O-N 2.8Å; N540-K542 WeakPolarHBondContact OD1-CB 3.43Å; N540-K542 PolarHBondContact OD1-N 3.01Å; N540-G543 WeakPolarHBondContact CB-O 3.45Å; N540-G543 PolarHBondContact ND2-O 2.96Å; N540-G543 PolarHBondContact O-N 2.78Å; N540-G543 VanDerWaalsContact O-N 3.07Å; N540-V546 HydrophobicContact CB-CG2 4.27Å
541	T	74.4	Confident	86.1	Confident	116 Å²	116	30.6 Å²	30.6	71%	0.712	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.8	178.8	53.2	0	0	0	0	113.2	F539	F539-T541 HydrophobicContact CE2-CG2 3.85Å; F539-T541 HydrophobicContact CZ-CG2 4.25Å; F539-T541 PolarHBondContact O-N 2.8Å
542	K	70.4	Confident	86.2	Confident	114 Å²	114	30.3 Å²	30.3	50%	0.496	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	3.6	173.6	-59.2	-177.7	-179.4	179.8	0	113	T470 N540	T470-K542 PolarHBondContact OG1-O 3.22Å; N540-K542 PolarHBondContact O-N 2.8Å; N540-K542 WeakPolarHBondContact OD1-CB 3.43Å; N540-K542 PolarHBondContact OD1-N 3.01Å
543	G	70.7	Confident	86.2	Confident	2 Å²	2	28.5 Å²	28.5	2%	0.021	15%	0.149	C	C	.	.			trans	89.8	-179.5	-177.4	0	0	0	0	0	114.1	N540	N540-G543 WeakPolarHBondContact CB-O 3.45Å; N540-G543 PolarHBondContact ND2-O 2.96Å; N540-G543 PolarHBondContact O-N 2.78Å; N540-G543 VanDerWaalsContact O-N 3.07Å
544	G	74.4	Confident	86.2	Confident	8 Å²	8	31.6 Å²	31.6	8%	0.082	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.7	-178.1	-170.1	0	0	0	0	0	112	Q471 A472 V473	Q471-G544 PolarHBondContact O-N 3.27Å; Q471-G544 VanDerWaalsContact O-N 3.13Å; A472-G544 WeakPolarHBondContact CA-O 3.13Å; V473-G544 PolarHBondContact N-O 2.88Å
545	A	77.7	Confident	86	Confident	16 Å²	16	33.4 Å²	33.4	13%	0.132	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.2	-173.8	0	0	0	0	0	112.9	V473 Y475 D1065 T1068	V473-A545 HydrophobicContact CB-CB 4.11Å; V473-A545 CarbonylContact O-C 3.57Å; V473-A545 VanDerWaalsContact O-CA 3.23Å; V473-A545 WeakPolarHBondContact O-CA 3.19Å; Y475-A545 HydrophobicContact CD1-CB 3.86Å; Y475-A545 HydrophobicContact CE1-CB 3.61Å; A545-D1065 HydrophobicContact CB-CB 3.34Å; A545-D1065 PolarHBondContact N-OD1 2.85Å; A545-D1065 VanDerWaalsContact N-OD1 3.11Å; A545-T1068 WeakPolarHBondContact CB-OG1 3.46Å
546	V	82.4	Confident	85.8	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.7	176.5	-175	0	0	0	0	109.6	V473 Y475 N540 H548 V756 V782	V473-V546 PolarHBondContact O-N 2.96Å; Y475-V546 PolarHBondContact N-O 2.83Å; N540-V546 HydrophobicContact CB-CG2 4.27Å; V546-H548 WeakPolarHBondContact CG1-NE2 3.39Å; V546-V756 HydrophobicContact CG1-CG2 3.45Å; V546-V756 VanDerWaalsContact CG1-CG2 3.45Å; V546-V782 HydrophobicContact CG1-CG2 3.92Å; V546-V782 HydrophobicContact CG2-CG1 4.41Å; V546-V782 HydrophobicContact CG2-CG2 4.31Å
547	Y	83.6	Confident	85.6	Confident	35 Å²	35	39.6 Å²	39.6	14%	0.137	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	133.5	176.9	-177.9	-90	0	0	0	111.7	Y475 R477 E549	Y475-Y547 AromaticContact CD2-CD2 3.83Å; Y475-Y547 HydrophobicContact CD2-CD2 3.83Å; Y475-Y547 AromaticContact CE2-CD2 3.52Å; Y475-Y547 HydrophobicContact CE2-CD2 3.52Å; Y475-Y547 HydrophobicContact CE2-CE2 4.43Å; Y475-Y547 HydrophobicContact CE2-CG 4.32Å; Y475-Y547 CarbonylContact O-C 3.59Å; Y475-Y547 VanDerWaalsContact O-CA 3.27Å; Y475-Y547 WeakPolarHBondContact O-CA 3.05Å; R477-Y547 WeakPolarHBondContact CD-OH 3.24Å; R477-Y547 WeakPolarHBondContact CG-OH 3.41Å; R477-Y547 PolarHBondContact NE-OH 3.22Å; Y547-E549 HydrophobicContact CE1-CB 4.25Å
548	H	88.6	Confident	85.6	Confident	15 Å²	15	42.9 Å²	42.9	7%	0.069	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134	173.9	-74.9	-77.4	0	0	0	112.5	Y475 G476 R477 L537 P538 V546 I550	Y475-H548 PolarHBondContact O-N 3.07Å; G476-H548 WeakPolarHBondContact CA-O 3.47Å; R477-H548 PolarHBondContact N-O 2.91Å; L537-H548 HydrophobicContact CD1-CB 4.37Å; L537-H548 HydrophobicContact CD2-CB 4.35Å; P538-H548 VanDerWaalsContact CD-CE1 3.48Å; P538-H548 WeakPolarHBondContact CD-CE1 3.39Å; P538-H548 PolarHBondContact O-CE1 3.15Å; P538-H548 PolarHBondContact O-NE2 2.78Å; V546-H548 WeakPolarHBondContact CG1-NE2 3.39Å; H548-I550 HydrophobicContact CB-CD1 3.97Å
549	E	87.6	Confident	85.8	Confident	60 Å²	60	45.3 Å²	45.3	28%	0.28	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	113	166.9	-174.5	169.3	-107.8	0	0	110	R477 I479 Y547 K551	R477-E549 HydrophobicContact CG-CG 4.29Å; R477-E549 IonicContact CZ-OE1 2.72Å; R477-E549 IonicContact NE-OE1 2.76Å; R477-E549 PolarHBondContact NE-OE1 3.16Å; R477-E549 IonicContact NH2-OE1 3.93Å; R477-E549 PolarHBondContact NH2-OE1 3.4Å; I479-E549 HydrophobicContact CD1-CG 4.03Å; I479-E549 VanDerWaalsContact CD1-OE1 3.27Å; I479-E549 WeakPolarHBondContact CD1-OE1 3.06Å; I479-E549 HydrophobicContact CG1-CG 4.21Å; Y547-E549 HydrophobicContact CE1-CB 4.25Å; E549-K551 IonicContact OE1-NZ 2.72Å; E549-K551 WeakPolarHBondContact OE2-CE 3.38Å; E549-K551 IonicContact OE2-NZ 2.79Å; E549-K551 PolarHBondContact OE2-NZ 3.12Å
550	I	93.3	Very high	86	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.015	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111.7	-177	-50.3	-58.4	0	0	0	109	R477 A478 I479 F508 F523 K535 L537 H548 V552	R477-I550 PolarHBondContact O-N 3.34Å; A478-I550 WeakPolarHBondContact CA-O 3.39Å; A478-I550 HydrophobicContact CB-CB 4.2Å; I479-I550 PolarHBondContact N-O 2.84Å; F508-I550 HydrophobicContact CE1-CG1 3.59Å; F508-I550 HydrophobicContact CZ-CD1 4.25Å; F508-I550 HydrophobicContact CZ-CG1 3.66Å; F523-I550 HydrophobicContact CD2-CG2 4.02Å; F523-I550 HydrophobicContact CE1-CG1 4.38Å; F523-I550 HydrophobicContact CE2-CD1 4.38Å; F523-I550 HydrophobicContact CE2-CG1 4.1Å; F523-I550 HydrophobicContact CE2-CG2 3.99Å; F523-I550 HydrophobicContact CG-CG2 4.42Å; F523-I550 HydrophobicContact CZ-CD1 4.39Å; F523-I550 HydrophobicContact CZ-CG1 3.8Å; F523-I550 HydrophobicContact CZ-CG2 4.34Å; K535-I550 HydrophobicContact CG-CD1 4.35Å; K535-I550 HydrophobicContact CG-CG2 4.06Å; L537-I550 HydrophobicContact CD1-CD1 3.96Å; L537-I550 HydrophobicContact CD2-CD1 3.56Å; L537-I550 HydrophobicContact CG-CD1 4.39Å; H548-I550 HydrophobicContact CB-CD1 3.97Å; I550-V552 HydrophobicContact CG2-CG1 4.24Å
551	K	92.4	Very high	86.7	Confident	47 Å²	47	46.4 Å²	46.4	20%	0.204	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.8	171.8	-56.4	-62.9	-177.1	176.6	0	109.8	I479 A481 E549 A618 A619	I479-K551 HydrophobicContact CD1-CD 4.35Å; I479-K551 HydrophobicContact CG1-CD 4.05Å; I479-K551 WeakPolarHBondContact O-CA 3.37Å; A481-K551 HydrophobicContact CB-CB 4.22Å; E549-K551 IonicContact OE1-NZ 2.72Å; E549-K551 WeakPolarHBondContact OE2-CE 3.38Å; E549-K551 IonicContact OE2-NZ 2.79Å; E549-K551 PolarHBondContact OE2-NZ 3.12Å; K551-A618 HydrophobicContact CG-CB 3.87Å; K551-A619 HydrophobicContact CB-CB 3.86Å
552	V	93.9	Very high	87.6	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143	174.8	-61.9	0	0	0	0	111	I479 A480 A481 M487 F530 I550	I479-V552 WeakPolarHBondContact O-CG2 3.45Å; I479-V552 PolarHBondContact O-N 2.97Å; A480-V552 WeakPolarHBondContact CA-O 3.33Å; A481-V552 PolarHBondContact N-O 3.3Å; M487-V552 HydrophobicContact CB-CG2 4.48Å; M487-V552 HydrophobicContact SD-CG1 4.44Å; F530-V552 HydrophobicContact CB-CB 4.39Å; F530-V552 HydrophobicContact CB-CG2 4.12Å; F530-V552 HydrophobicContact CD1-CG2 3.71Å; F530-V552 HydrophobicContact CD2-CG2 4.36Å; F530-V552 HydrophobicContact CE1-CG2 4.21Å; F530-V552 HydrophobicContact CG-CG2 3.79Å; I550-V552 HydrophobicContact CG2-CG1 4.24Å
553	L	92.5	Very high	88.7	Confident	27 Å²	27	37 Å²	37	14%	0.141	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-88	144.7	178.3	-68.8	176	0	0	0	111	A481 F530 V531 T607 L609 A619	A481-L553 HydrophobicContact CB-CD2 4Å; F530-L553 CarbonylContact C-O 3.57Å; F530-L553 WeakPolarHBondContact CA-O 3.38Å; V531-L553 HydrophobicContact CG2-CB 4.4Å; V531-L553 PolarHBondContact N-O 2.62Å; L553-T607 HydrophobicContact CB-CG2 4.33Å; L553-T607 HydrophobicContact CD1-CG2 4.45Å; L553-L609 HydrophobicContact CD1-CB 3.92Å; L553-L609 HydrophobicContact CD1-CD1 3.99Å; L553-L609 HydrophobicContact CD1-CG 3.99Å; L553-A619 HydrophobicContact CD2-CB 3.76Å; L553-A619 HydrophobicContact CG-CB 3.85Å
554	R	92	Very high	89.7	Confident	67 Å²	67	39.9 Å²	39.9	25%	0.253	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-76.8	139.8	174.8	-165.7	174.4	-53.4	-67.7	2.9	110.1	D482 N483 E485 F530 T607	D482-R554 IonicContact OD1-CZ 3.25Å; D482-R554 IonicContact OD1-NH2 2.82Å; D482-R554 PolarHBondContact OD1-NH2 3.47Å; D482-R554 IonicContact OD2-CZ 2.89Å; D482-R554 IonicContact OD2-NE 3.33Å; D482-R554 PolarHBondContact OD2-NE 2.96Å; D482-R554 IonicContact OD2-NH2 2.78Å; D482-R554 PolarHBondContact OD2-NH2 2.84Å; N483-R554 PolarHBondContact ND2-NH2 3.28Å; N483-R554 PolarHBondContact OD1-NH2 2.77Å; E485-R554 IonicContact OE2-CZ 3.9Å; E485-R554 IonicContact OE2-NH1 2.78Å; E485-R554 PolarHBondContact OE2-NH1 2.77Å; E485-R554 IonicContact OE2-NH2 3.59Å; E485-R554 PolarHBondContact OE2-NH2 2.77Å; F530-R554 VanDerWaalsContact CE1-NH1 3.33Å; R554-T607 PolarHBondContact O-OG1 2.92Å
555	K	91.7	Very high	90.6	Very high	41 Å²	41	45.5 Å²	45.5	18%	0.178	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-65.6	137	172.4	-68.6	-162.4	180	-177.2	0	109.8	Q528 K529 F530 V531 T607 D645	Q528-K555 WeakPolarHBondContact O-CD 3.33Å; K529-K555 PolarHBondContact O-N 2.92Å; F530-K555 VanDerWaalsContact O-CE 3.23Å; F530-K555 WeakPolarHBondContact O-CE 3.5Å; V531-K555 HydrophobicContact CG2-CG 3.92Å; K555-T607 WeakPolarHBondContact CA-OG1 3.49Å; K555-D645 IonicContact NZ-OD2 3.74Å; K555-D645 PolarHBondContact NZ-OD2 2.59Å
556	K	90.6	Very high	91.3	Very high	97 Å²	97	48.3 Å²	48.3	42%	0.422	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-70.5	146.5	173.4	-164.4	170.9	-172.2	168.6	0	109.5	S605 V606 T607	K556-S605 PolarHBondContact O-OG 2.87Å; K556-V606 WeakPolarHBondContact CB-O 3.23Å; K556-V606 WeakPolarHBondContact CD-O 3.12Å; K556-T607 PolarHBondContact N-OG1 3.16Å
557	A	90.3	Very high	91.8	Very high	77 Å²	77	49.1 Å²	49.1	64%	0.636	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-57	134.1	174.4	0	0	0	0	0	109.9
558	P	92.6	Very high	92.3	Very high	79 Å²	79	51 Å²	51	51%	0.513	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-67.2	145.1	-179	27.5	-33.5	0	0	0	110.9	N603 A604	P558-N603 HydrophobicContact CB-CB 4.1Å; P558-A604 WeakPolarHBondContact CA-O 3.37Å
559	V	93.7	Very high	92.4	Very high	83 Å²	83	51.3 Å²	51.3	50%	0.503	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.5	172	-178.9	0	0	0	0	108.2	A604	V559-A604 PolarHBondContact N-O 2.96Å; V559-A604 PolarHBondContact O-N 2.95Å
560	T	94.3	Very high	92.6	Very high	71 Å²	71	52.6 Å²	52.6	44%	0.436	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	126.6	178.1	-47.8	0	0	0	0	110.2	N601 V602 N603	T560-N601 HydrophobicContact CG2-CB 3.92Å; T560-V602 CarbonylContact C-O 3.55Å; T560-V602 WeakPolarHBondContact CA-O 3.22Å; T560-N603 PolarHBondContact OG1-OD1 3.47Å
561	I	94.1	Very high	92.4	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.1	179	62.5	173.1	0	0	0	110.4	N567 L569 I585 F590 V602 A604	I561-N567 HydrophobicContact CB-CB 4.23Å; I561-N567 WeakPolarHBondContact CB-OD1 3.33Å; I561-N567 HydrophobicContact CD1-CB 4.29Å; I561-N567 HydrophobicContact CG2-CB 4.31Å; I561-L569 HydrophobicContact CG2-CD2 4.38Å; I561-I585 HydrophobicContact CD1-CD1 4.15Å; I561-F590 HydrophobicContact CD1-CE2 4.28Å; I561-F590 HydrophobicContact CD1-CZ 3.74Å; I561-V602 HydrophobicContact CG1-CB 3.9Å; I561-V602 HydrophobicContact CG1-CG1 4.35Å; I561-V602 WeakPolarHBondContact CG1-O 3.5Å; I561-V602 PolarHBondContact N-O 2.73Å; I561-V602 PolarHBondContact O-N 3.33Å; I561-A604 HydrophobicContact CD1-CB 3.65Å; I561-A604 HydrophobicContact CG1-CB 3.99Å
562	S	93.4	Very high	91.9	Very high	32 Å²	32	51.9 Å²	51.9	22%	0.224	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.2	-178.6	173.8	0	0	0	0	111.2	S564 E565 N567	S562-S564 PolarHBondContact O-N 3.14Å; S562-S564 VanDerWaalsContact O-N 3.16Å; S562-S564 PolarHBondContact OG-N 2.84Å; S562-E565 PolarHBondContact O-N 2.95Å; S562-N567 PolarHBondContact O-ND2 2.83Å
563	S	92.4	Very high	90.9	Very high	1 Å²	1	56 Å²	56	1%	0.007	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.9	177.4	67.1	0	0	0	0	113.9	H588 T599 G600	S563-H588 PolarHBondContact O-N 2.8Å; S563-T599 WeakPolarHBondContact OG-CA 3.23Å; S563-G600 WeakPolarHBondContact CB-O 3.3Å; S563-G600 PolarHBondContact N-O 2.85Å; S563-G600 PolarHBondContact OG-N 2.93Å; S563-G600 PolarHBondContact OG-O 3.4Å; S563-G600 VanDerWaalsContact OG-O 3.11Å
564	S	91.9	Very high	90.2	Very high	62 Å²	62	56.6 Å²	56.6	43%	0.434	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.7	-174.4	-56.4	0	0	0	0	113.3	S562 P587	S562-S564 PolarHBondContact O-N 3.14Å; S562-S564 VanDerWaalsContact O-N 3.16Å; S562-S564 PolarHBondContact OG-N 2.84Å; S564-P587 VanDerWaalsContact O-CB 3.28Å; S564-P587 WeakPolarHBondContact O-CB 3.45Å
565	E	93.1	Very high	89.4	Confident	126 Å²	126	62.5 Å²	62.5	59%	0.589	36%	0.356	S	S	*	.	S	Bend	trans	-120	163.7	-177.3	-64.8	-176.4	-177.3	0	0	111.2	S562 N567	S562-E565 PolarHBondContact O-N 2.95Å; E565-N567 PolarHBondContact O-ND2 2.86Å
566	T	93.4	Very high	88.5	Confident	75 Å²	75	65 Å²	65	46%	0.46	39%	0.393	S	S	.	.			trans	-79.9	121	170	-56.9	0	0	0	0	109.2	Q584 I585	T566-Q584 HydrophobicContact CG2-CG 3.68Å; T566-Q584 VanDerWaalsContact CG2-NE2 3.34Å; T566-I585 WeakPolarHBondContact CA-O 3.18Å
567	N	93.2	Very high	87.8	Confident	19 Å²	19	63.5 Å²	63.5	10%	0.102	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.3	-178.4	-60.5	-82.8	0	0	0	110.7	I561 S562 E565 Q584 I585	I561-N567 HydrophobicContact CB-CB 4.23Å; I561-N567 WeakPolarHBondContact CB-OD1 3.33Å; I561-N567 HydrophobicContact CD1-CB 4.29Å; I561-N567 HydrophobicContact CG2-CB 4.31Å; S562-N567 PolarHBondContact O-ND2 2.83Å; E565-N567 PolarHBondContact O-ND2 2.86Å; N567-Q584 CarbonylContact O-C 3.46Å; N567-Q584 VanDerWaalsContact O-CA 3.32Å; N567-Q584 WeakPolarHBondContact O-CA 3.46Å; N567-I585 PolarHBondContact N-O 3.08Å; N567-I585 PolarHBondContact O-N 3.44Å
568	T	92.6	Very high	87.2	Confident	74 Å²	74	64.4 Å²	64.4	45%	0.454	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126	176.4	-53.9	0	0	0	0	110.3	Q582 I583	T568-Q582 HydrophobicContact CG2-CB 4.34Å; T568-I583 CarbonylContact C-O 3.59Å; T568-I583 VanDerWaalsContact CA-O 3.29Å; T568-I583 WeakPolarHBondContact CA-O 3.1Å
569	L	92.2	Very high	86.7	Confident	23 Å²	23	62.9 Å²	62.9	12%	0.12	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.7	177.2	-57.9	174.7	0	0	0	109.4	I561 Q582 I583 A604 V606	I561-L569 HydrophobicContact CG2-CD2 4.38Å; L569-Q582 WeakPolarHBondContact O-CA 3.29Å; L569-I583 HydrophobicContact CB-CB 4.37Å; L569-I583 PolarHBondContact N-O 2.95Å; L569-I583 PolarHBondContact O-N 3.17Å; L569-A604 HydrophobicContact CD1-CB 4.35Å; L569-V606 HydrophobicContact CD1-CG2 3.66Å
570	N	91.2	Very high	86.3	Confident	87 Å²	87	59.3 Å²	59.3	47%	0.465	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.4	-179.7	-67	-31	0	0	0	110.8	V579 Q582	N570-V579 HydrophobicContact CB-CG1 3.78Å; N570-V579 HydrophobicContact CB-CG2 4.12Å; N570-Q582 WeakPolarHBondContact OD1-CG 3.43Å
571	L	89.5	Confident	86.1	Confident	4 Å²	4	56 Å²	56	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.3	-179.5	-51	-179.3	0	0	0	111.5	V579 M580 V581 I583 V606 F608 F642	L571-V579 WeakPolarHBondContact O-CG1 3.37Å; L571-M580 PolarHBondContact O-N 2.9Å; L571-V581 HydrophobicContact CB-CB 4.11Å; L571-V581 HydrophobicContact CD1-CB 4.26Å; L571-V581 HydrophobicContact CD1-CG1 4.22Å; L571-V581 PolarHBondContact N-O 3.03Å; L571-V581 PolarHBondContact O-N 2.81Å; L571-I583 HydrophobicContact CD1-CD1 3.73Å; L571-I583 HydrophobicContact CD1-CG1 4.08Å; L571-V606 HydrophobicContact CD1-CG1 4.07Å; L571-V606 HydrophobicContact CD2-CB 4.11Å; L571-V606 HydrophobicContact CD2-CG1 3.57Å; L571-V606 HydrophobicContact CG-CG1 4.47Å; L571-F608 HydrophobicContact CB-CB 4.1Å; L571-F608 HydrophobicContact CB-CD1 4.11Å; L571-F608 HydrophobicContact CB-CD2 4.37Å; L571-F608 HydrophobicContact CB-CG 3.95Å; L571-F608 HydrophobicContact CD1-CB 4.37Å; L571-F608 HydrophobicContact CD1-CD2 4.21Å; L571-F608 HydrophobicContact CD1-CG 4.4Å; L571-F608 HydrophobicContact CD2-CB 4.34Å; L571-F642 HydrophobicContact CD1-CB 4.12Å; L571-F642 HydrophobicContact CD1-CD1 4.41Å; L571-F642 HydrophobicContact CD1-CG 4.14Å
572	G	81.4	Confident	86	Confident	30 Å²	30	57.9 Å²	57.9	31%	0.309	33%	0.334	S	S	.	.			trans	160.1	110.9	-177.5	0	0	0	0	0	107.8
573	E	73.7	Confident	86	Confident	87 Å²	87	56.5 Å²	56.5	41%	0.407	32%	0.324	S	S	.	.			trans	-98.8	-15.6	-168.8	-60.2	-158.1	161.1	0	0	112.9	E575 F608 D610	E573-E575 PolarHBondContact O-N 2.94Å; E573-F608 HydrophobicContact CG-CB 4.31Å; E573-F608 HydrophobicContact CG-CD1 4.36Å; E573-F608 WeakPolarHBondContact CG-O 3.11Å; E573-F608 PolarHBondContact OE1-N 2.83Å; E573-F608 VanDerWaalsContact OE2-O 3.1Å; E573-D610 HydrophobicContact CB-CB 4.19Å; E573-D610 PolarHBondContact N-OD2 3.32Å
574	V	77.6	Confident	86.1	Confident	40 Å²	40	59.1 Å²	59.1	24%	0.242	34%	0.336	C	S	.	.	S	Bend	trans	-78.3	117.8	179.7	-174	0	0	0	0	111.4	G576 Q577 R612	V574-G576 PolarHBondContact O-N 2.9Å; V574-Q577 HydrophobicContact CB-CB 4.38Å; V574-Q577 HydrophobicContact CB-CG 4.25Å; V574-Q577 HydrophobicContact CG1-CB 4.49Å; V574-Q577 HydrophobicContact CG1-CG 3.85Å; V574-Q577 PolarHBondContact O-N 3.06Å; V574-R612 HydrophobicContact CG2-CB 3.99Å
575	E	74.8	Confident	86.2	Confident	192 Å²	192	56.2 Å²	56.2	90%	0.897	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	134.6	177.4	-68.2	-173.8	175.4	0	0	112.1	E573 Q577	E573-E575 PolarHBondContact O-N 2.94Å; E575-Q577 VanDerWaalsContact C-N 3.31Å; E575-Q577 PolarHBondContact O-N 3.17Å
576	G	72.9	Confident	86.1	Confident	92 Å²	92	51.1 Å²	51.1	95%	0.948	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	2.3	179	0	0	0	0	0	115.3	V574	V574-G576 PolarHBondContact O-N 2.9Å
577	Q	74.8	Confident	86	Confident	66 Å²	66	50.1 Å²	50.1	31%	0.308	29%	0.289	S	S	.	.	S	Bend	trans	-107.2	159.4	175	-61.4	-165	-13.5	0	0	112.9	V574 E575	V574-Q577 HydrophobicContact CB-CB 4.38Å; V574-Q577 HydrophobicContact CB-CG 4.25Å; V574-Q577 HydrophobicContact CG1-CB 4.49Å; V574-Q577 HydrophobicContact CG1-CG 3.85Å; V574-Q577 PolarHBondContact O-N 3.06Å; E575-Q577 VanDerWaalsContact C-N 3.31Å; E575-Q577 PolarHBondContact O-N 3.17Å
578	E	77.8	Confident	85.8	Confident	97 Å²	97	54.5 Å²	54.5	45%	0.453	31%	0.308	S	S	.	.			trans	-69.2	151.2	177.2	-58.3	-171.5	153	0	0	111.7	M580 R612 R709	E578-M580 PolarHBondContact O-N 2.72Å; E578-R612 PolarHBondContact O-NH1 2.9Å; E578-R612 PolarHBondContact O-NH2 2.92Å; E578-R709 IonicContact OE1-CZ 3.99Å; E578-R709 IonicContact OE1-NH2 3.34Å; E578-R709 PolarHBondContact OE1-NH2 2.04Å; E578-R709 IonicContact OE2-CZ 2.73Å; E578-R709 IonicContact OE2-NE 3.22Å; E578-R709 IonicContact OE2-NH1 2.63Å; E578-R709 IonicContact OE2-NH2 3.54Å; E578-R709 PolarHBondContact OE2-NH2 2.97Å
579	V	83.9	Confident	85.6	Confident	46 Å²	46	51.7 Å²	51.7	28%	0.279	29%	0.291	S	S	.	.			trans	-59.1	130.2	173.2	177.7	0	0	0	0	109.4	N570 L571 V581 Q582	N570-V579 HydrophobicContact CB-CG1 3.78Å; N570-V579 HydrophobicContact CB-CG2 4.12Å; L571-V579 WeakPolarHBondContact O-CG1 3.37Å; V579-V581 WeakPolarHBondContact CG1-O 3.27Å; V579-Q582 HydrophobicContact CG1-CG 4.16Å
580	M	84.8	Confident	85.5	Confident	9 Å²	9	50.6 Å²	50.6	4%	0.044	29%	0.286	C	S	.	.			trans	-92	-41.4	-175.8	-173.6	173.6	-166.2	0	0	112.1	L571 E578 F608 Y639 L664 D665 Q668	L571-M580 PolarHBondContact O-N 2.9Å; E578-M580 PolarHBondContact O-N 2.72Å; M580-F608 HydrophobicContact CB-CE1 4.48Å; M580-F608 HydrophobicContact SD-CE1 4.22Å; M580-F608 HydrophobicContact SD-CZ 3.9Å; M580-Y639 HydrophobicContact CE-CD1 4.43Å; M580-Y639 WeakPolarHBondContact CE-O 3.3Å; M580-L664 HydrophobicContact CE-CD1 4.47Å; M580-L664 HydrophobicContact CG-CD1 4.13Å; M580-D665 PolarHBondContact O-N 2.87Å; M580-Q668 HydrophobicContact CE-CB 4Å; M580-Q668 HydrophobicContact CG-CB 4.19Å; M580-Q668 HydrophobicContact CG-CG 4.04Å
581	V	90.1	Very high	85.3	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.2	-175.3	-176.7	0	0	0	0	110.2	L571 V579 F608 V662 F663 L664 L726	L571-V581 HydrophobicContact CB-CB 4.11Å; L571-V581 HydrophobicContact CD1-CB 4.26Å; L571-V581 HydrophobicContact CD1-CG1 4.22Å; L571-V581 PolarHBondContact N-O 3.03Å; L571-V581 PolarHBondContact O-N 2.81Å; V579-V581 WeakPolarHBondContact CG1-O 3.27Å; V581-F608 HydrophobicContact CG2-CE2 4.31Å; V581-F608 HydrophobicContact CG2-CZ 4.24Å; V581-V662 HydrophobicContact CG1-CG1 3.57Å; V581-F663 CarbonylContact C-O 3.54Å; V581-F663 VanDerWaalsContact CA-O 3.29Å; V581-F663 WeakPolarHBondContact CA-O 3.5Å; V581-L664 HydrophobicContact CG2-CD1 3.87Å; V581-L726 HydrophobicContact CB-CD1 4.39Å; V581-L726 HydrophobicContact CG1-CD1 4Å; V581-L726 HydrophobicContact CG2-CD1 3.45Å; V581-L726 VanDerWaalsContact CG2-CD1 3.45Å
582	Q	91.7	Very high	85.2	Confident	54 Å²	54	49.4 Å²	49.4	25%	0.252	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	132.2	170.4	-51.7	-178.6	-13	0	0	109.8	T568 L569 N570 V579 V662 F663	T568-Q582 HydrophobicContact CG2-CB 4.34Å; L569-Q582 WeakPolarHBondContact O-CA 3.29Å; N570-Q582 WeakPolarHBondContact OD1-CG 3.43Å; V579-Q582 HydrophobicContact CG1-CG 4.16Å; Q582-V662 WeakPolarHBondContact O-CA 3.16Å; Q582-F663 HydrophobicContact CB-CB 4.16Å; Q582-F663 PolarHBondContact N-O 2.68Å; Q582-F663 PolarHBondContact O-N 3.4Å
583	I	93.3	Very high	85	Confident	2 Å²	2	55.6 Å²	55.6	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123	173.7	-59.2	-179.1	0	0	0	107.8	T568 L569 L571 I585 V606 F642 V660 K661 V662	T568-I583 CarbonylContact C-O 3.59Å; T568-I583 VanDerWaalsContact CA-O 3.29Å; T568-I583 WeakPolarHBondContact CA-O 3.1Å; L569-I583 HydrophobicContact CB-CB 4.37Å; L569-I583 PolarHBondContact N-O 2.95Å; L569-I583 PolarHBondContact O-N 3.17Å; L571-I583 HydrophobicContact CD1-CD1 3.73Å; L571-I583 HydrophobicContact CD1-CG1 4.08Å; I583-I585 HydrophobicContact CG2-CG1 4.22Å; I583-V606 HydrophobicContact CD1-CG1 4.15Å; I583-F642 HydrophobicContact CD1-CD2 3.85Å; I583-F642 HydrophobicContact CD1-CE2 3.79Å; I583-F642 HydrophobicContact CD1-CZ 4.45Å; I583-V660 HydrophobicContact CG2-CG1 3.43Å; I583-V660 VanDerWaalsContact CG2-CG1 3.43Å; I583-K661 CarbonylContact C-O 3.53Å; I583-K661 WeakPolarHBondContact CA-O 3.45Å; I583-V662 HydrophobicContact CG1-CG2 4.09Å; I583-V662 HydrophobicContact CG2-CG2 4.5Å
584	Q	94.1	Very high	85.1	Confident	57 Å²	57	55.7 Å²	55.7	27%	0.266	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.1	175.5	-173.8	-178.9	35	0	0	110	T566 N567 K661 F663	T566-Q584 HydrophobicContact CG2-CG 3.68Å; T566-Q584 VanDerWaalsContact CG2-NE2 3.34Å; N567-Q584 CarbonylContact O-C 3.46Å; N567-Q584 VanDerWaalsContact O-CA 3.32Å; N567-Q584 WeakPolarHBondContact O-CA 3.46Å; Q584-K661 HydrophobicContact CB-CB 4.23Å; Q584-K661 PolarHBondContact N-O 3.36Å; Q584-K661 PolarHBondContact O-N 2.83Å; Q584-F663 HydrophobicContact CB-CD2 4.43Å; Q584-F663 HydrophobicContact CB-CE2 3.73Å
585	I	93.9	Very high	84.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	112.5	179.1	-51.9	172.8	0	0	0	107.4	I561 T566 N567 I583 F590 F646 V660	I561-I585 HydrophobicContact CD1-CD1 4.15Å; T566-I585 WeakPolarHBondContact CA-O 3.18Å; N567-I585 PolarHBondContact N-O 3.08Å; N567-I585 PolarHBondContact O-N 3.44Å; I583-I585 HydrophobicContact CG2-CG1 4.22Å; I585-F590 HydrophobicContact CD1-CE1 4.47Å; I585-F590 HydrophobicContact CD1-CZ 3.84Å; I585-F590 HydrophobicContact CG2-CE2 3.83Å; I585-F590 HydrophobicContact CG2-CZ 3.8Å; I585-F646 HydrophobicContact CD1-CE1 4.25Å; I585-F646 HydrophobicContact CD1-CE2 4.06Å; I585-F646 HydrophobicContact CD1-CZ 3.52Å; I585-V660 HydrophobicContact CG1-CG1 4.3Å; I585-V660 HydrophobicContact CG1-CG2 4.38Å
586	P	92.3	Very high	85.2	Confident	20 Å²	20	51 Å²	51	13%	0.13	28%	0.28	C	S	.	.			trans	-61.4	162.2	173.1	-20	33.5	0	0	0	112.9	S589 E659	P586-S589 WeakPolarHBondContact O-CB 3.15Å; P586-S589 PolarHBondContact O-OG 3.04Å; P586-E659 WeakPolarHBondContact CD-O 3.46Å; P586-E659 HydrophobicContact CG-CB 4.37Å; P586-E659 HydrophobicContact CG-CG 4.26Å
587	P	91.1	Very high	85.8	Confident	54 Å²	54	51 Å²	51	35%	0.351	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	149.8	177.1	31.2	-36.2	0	0	0	111.2	S564 S589	S564-P587 VanDerWaalsContact O-CB 3.28Å; S564-P587 WeakPolarHBondContact O-CB 3.45Å; P587-S589 PolarHBondContact O-N 3.32Å
588	H	87.5	Confident	86.5	Confident	111 Å²	111	49 Å²	49	51%	0.514	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	21.1	-179.7	-50.7	-64.6	0	0	0	115	S563	S563-H588 PolarHBondContact O-N 2.8Å
589	S	89	Confident	87.1	Confident	14 Å²	14	49.1 Å²	49.1	10%	0.098	26%	0.26	C	S	.	.			trans	-80.4	-16.9	177.2	-70.3	0	0	0	0	114.4	P586 P587 A657 G658 E659	P586-S589 WeakPolarHBondContact O-CB 3.15Å; P586-S589 PolarHBondContact O-OG 3.04Å; P587-S589 PolarHBondContact O-N 3.32Å; S589-A657 CarbonylContact O-C 3.52Å; S589-A657 WeakPolarHBondContact O-CA 3.21Å; S589-G658 PolarHBondContact O-N 3.16Å; S589-E659 PolarHBondContact OG-O 3.27Å
590	F	90.4	Very high	87.4	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	140	-175.7	-65.9	-79.7	0	0	0	112.3	I561 I585 F598 V602 F646 L655 N656 A657	I561-F590 HydrophobicContact CD1-CE2 4.28Å; I561-F590 HydrophobicContact CD1-CZ 3.74Å; I585-F590 HydrophobicContact CD1-CE1 4.47Å; I585-F590 HydrophobicContact CD1-CZ 3.84Å; I585-F590 HydrophobicContact CG2-CE2 3.83Å; I585-F590 HydrophobicContact CG2-CZ 3.8Å; F590-F598 HydrophobicContact CB-CB 4.14Å; F590-F598 HydrophobicContact CB-CD1 4.38Å; F590-F598 PolarHBondContact O-N 3.24Å; F590-V602 HydrophobicContact CD1-CG1 4.45Å; F590-V602 HydrophobicContact CD1-CG2 4.35Å; F590-V602 HydrophobicContact CD2-CG2 4.09Å; F590-V602 HydrophobicContact CE1-CG1 4.06Å; F590-V602 HydrophobicContact CE1-CG2 4.48Å; F590-V602 HydrophobicContact CE2-CG2 4.22Å; F590-V602 HydrophobicContact CG-CG2 4.15Å; F590-V602 HydrophobicContact CZ-CG1 4.28Å; F590-V602 HydrophobicContact CZ-CG2 4.41Å; F590-F646 HydrophobicContact CD1-CD2 4.27Å; F590-F646 HydrophobicContact CE1-CB 4.34Å; F590-F646 AromaticContact CE1-CD2 3.58Å; F590-F646 HydrophobicContact CE1-CD2 3.58Å; F590-F646 AromaticContact CE1-CE2 3.83Å; F590-F646 HydrophobicContact CE1-CE2 3.83Å; F590-F646 AromaticContact CE1-CG 3.95Å; F590-F646 HydrophobicContact CE1-CG 3.95Å; F590-F646 HydrophobicContact CE1-CZ 4.44Å; F590-L655 HydrophobicContact CD1-CB 4.45Å; F590-N656 WeakPolarHBondContact CA-O 3.48Å; F590-A657 HydrophobicContact CD1-CB 4.19Å; F590-A657 HydrophobicContact CE1-CB 4.23Å
591	Y	87.8	Confident	87.9	Confident	10 Å²	10	51.5 Å²	51.5	4%	0.039	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	157.6	176.9	62.1	-87.3	0	0	0	112.2	L224 E596 N656 E717 R719	L224-Y591 HydrophobicContact CD1-CE2 4.21Å; L224-Y591 HydrophobicContact CD2-CD1 4.23Å; L224-Y591 HydrophobicContact CD2-CD2 3.84Å; L224-Y591 HydrophobicContact CD2-CE1 4.02Å; L224-Y591 HydrophobicContact CD2-CE2 3.66Å; L224-Y591 HydrophobicContact CD2-CG 4.14Å; L224-Y591 HydrophobicContact CG-CE2 4.12Å; Y591-E596 CarbonylContact C-O 3.59Å; Y591-E596 WeakPolarHBondContact CA-O 3.3Å; Y591-E596 WeakPolarHBondContact CB-O 3.44Å; Y591-N656 HydrophobicContact CD1-CB 4.14Å; Y591-N656 HydrophobicContact CD2-CB 3.7Å; Y591-N656 HydrophobicContact CE1-CB 3.76Å; Y591-N656 HydrophobicContact CE2-CB 3.25Å; Y591-N656 WeakPolarHBondContact CE2-ND2 3.46Å; Y591-N656 HydrophobicContact CG-CB 4.11Å; Y591-N656 PolarHBondContact N-O 3.48Å; Y591-N656 PolarHBondContact O-N 3.28Å; Y591-E717 PolarHBondContact OH-OE1 2.72Å; Y591-R719 WeakPolarHBondContact OH-CG 3.24Å
592	K	86.2	Confident	88.1	Confident	55 Å²	55	51.5 Å²	51.5	24%	0.239	28%	0.278	C	S	.	.			trans	-82.9	168.4	178.2	-63	-174.3	-177.3	-139.7	0	111.4	N594 G595 E596 E653 L655	K592-N594 VanDerWaalsContact CB-OD1 3.24Å; K592-N594 WeakPolarHBondContact CB-OD1 3.48Å; K592-N594 PolarHBondContact O-N 3.27Å; K592-N594 VanDerWaalsContact O-N 3.16Å; K592-G595 PolarHBondContact O-N 3.03Å; K592-E596 PolarHBondContact N-O 2.96Å; K592-E653 WeakPolarHBondContact CE-OE1 3.41Å; K592-E653 WeakPolarHBondContact CE-OE2 3.24Å; K592-E653 IonicContact NZ-OE1 3.5Å; K592-E653 PolarHBondContact NZ-OE1 2.95Å; K592-E653 IonicContact NZ-OE2 2.74Å; K592-E653 PolarHBondContact NZ-OE2 3.12Å; K592-L655 HydrophobicContact CG-CD2 4.22Å
593	E	78.6	Confident	88.2	Confident	160 Å²	160	50.7 Å²	50.7	75%	0.748	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.2	179.7	-167.7	175.3	-173.9	0	0	113.7	G595	E593-G595 PolarHBondContact O-N 2.76Å
594	N	74.7	Confident	88.2	Confident	90 Å²	90	50.8 Å²	50.8	48%	0.481	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.6	174.5	66.3	-1.3	0	0	0	113.9	K592 E596	K592-N594 VanDerWaalsContact CB-OD1 3.24Å; K592-N594 WeakPolarHBondContact CB-OD1 3.48Å; K592-N594 PolarHBondContact O-N 3.27Å; K592-N594 VanDerWaalsContact O-N 3.16Å; N594-E596 PolarHBondContact ND2-OE2 3.39Å; N594-E596 WeakPolarHBondContact OD1-CB 3.29Å; N594-E596 WeakPolarHBondContact OD1-CG 3.4Å; N594-E596 PolarHBondContact OD1-N 3.22Å
595	G	73.4	Confident	88.1	Confident	18 Å²	18	48.6 Å²	48.6	19%	0.186	27%	0.267	C	S	.	.	S	Bend	trans	87.9	1.4	-179	0	0	0	0	0	115.2	K592 E593	K592-G595 PolarHBondContact O-N 3.03Å; E593-G595 PolarHBondContact O-N 2.76Å
596	E	81.6	Confident	88.1	Confident	115 Å²	115	49.1 Å²	49.1	54%	0.537	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-74	133.5	177.1	-68.2	174.2	166	0	0	111.5	Y591 K592 N594 F598	Y591-E596 CarbonylContact C-O 3.59Å; Y591-E596 WeakPolarHBondContact CA-O 3.3Å; Y591-E596 WeakPolarHBondContact CB-O 3.44Å; K592-E596 PolarHBondContact N-O 2.96Å; N594-E596 PolarHBondContact ND2-OE2 3.39Å; N594-E596 WeakPolarHBondContact OD1-CB 3.29Å; N594-E596 WeakPolarHBondContact OD1-CG 3.4Å; N594-E596 PolarHBondContact OD1-N 3.22Å; E596-F598 PolarHBondContact O-N 3.46Å
597	V	84.9	Confident	88.1	Confident	92 Å²	92	48.5 Å²	48.5	56%	0.558	27%	0.266	S	S	*	.	B	Isolated β-bridge	trans	-64.1	130.1	176.9	-179.3	0	0	0	0	109.8
598	F	89.2	Confident	88.2	Confident	23 Å²	23	46 Å²	46	10%	0.101	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-91.6	131.6	178.1	178.3	-94.1	0	0	0	110.7	F590 E596 V602 E653 L655	F590-F598 HydrophobicContact CB-CB 4.14Å; F590-F598 HydrophobicContact CB-CD1 4.38Å; F590-F598 PolarHBondContact O-N 3.24Å; E596-F598 PolarHBondContact O-N 3.46Å; F598-V602 HydrophobicContact CD1-CG2 3.91Å; F598-V602 HydrophobicContact CE1-CG2 3.63Å; F598-E653 WeakPolarHBondContact CE2-OE1 3.35Å; F598-L655 HydrophobicContact CB-CD2 3.94Å; F598-L655 HydrophobicContact CD1-CD1 3.56Å; F598-L655 HydrophobicContact CD1-CD2 4.36Å; F598-L655 HydrophobicContact CD2-CD1 4.23Å; F598-L655 HydrophobicContact CD2-CD2 3.76Å; F598-L655 HydrophobicContact CE1-CD1 3.72Å; F598-L655 HydrophobicContact CE2-CD1 4.36Å; F598-L655 HydrophobicContact CE2-CD2 4.37Å; F598-L655 HydrophobicContact CG-CD1 3.84Å; F598-L655 HydrophobicContact CG-CD2 3.74Å; F598-L655 HydrophobicContact CG-CG 4.47Å; F598-L655 HydrophobicContact CZ-CD1 4.12Å
599	T	90.3	Very high	88.4	Confident	100 Å²	100	41 Å²	41	61%	0.613	23%	0.227	S	C	*	.			trans	-123.5	116.7	174.1	55.2	0	0	0	0	110.1	S563	S563-T599 WeakPolarHBondContact OG-CA 3.23Å
600	G	91.3	Very high	88.4	Confident	29 Å²	29	40.5 Å²	40.5	30%	0.299	22%	0.223	S	C	.	.	S	Bend	trans	156.8	-169.6	-179.8	0	0	0	0	0	112.5	S563	S563-G600 WeakPolarHBondContact CB-O 3.3Å; S563-G600 PolarHBondContact N-O 2.85Å; S563-G600 PolarHBondContact OG-N 2.93Å; S563-G600 PolarHBondContact OG-O 3.4Å; S563-G600 VanDerWaalsContact OG-O 3.11Å
601	N	94.1	Very high	88.3	Confident	76 Å²	76	40.5 Å²	40.5	41%	0.406	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	136.5	174.1	-69.5	-14.7	0	0	0	110.7	T560 E649	T560-N601 HydrophobicContact CG2-CB 3.92Å; N601-E649 HydrophobicContact CB-CB 3.91Å; N601-E649 WeakPolarHBondContact CB-OE2 3.33Å; N601-E649 PolarHBondContact ND2-OE2 3.41Å; N601-E649 PolarHBondContact O-N 3.01Å
602	V	94.4	Very high	88.2	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.6	179.4	179.8	0	0	0	0	108.9	T560 I561 F590 F598 A604 F646 R647 L655	T560-V602 CarbonylContact C-O 3.55Å; T560-V602 WeakPolarHBondContact CA-O 3.22Å; I561-V602 HydrophobicContact CG1-CB 3.9Å; I561-V602 HydrophobicContact CG1-CG1 4.35Å; I561-V602 WeakPolarHBondContact CG1-O 3.5Å; I561-V602 PolarHBondContact N-O 2.73Å; I561-V602 PolarHBondContact O-N 3.33Å; F590-V602 HydrophobicContact CD1-CG1 4.45Å; F590-V602 HydrophobicContact CD1-CG2 4.35Å; F590-V602 HydrophobicContact CD2-CG2 4.09Å; F590-V602 HydrophobicContact CE1-CG1 4.06Å; F590-V602 HydrophobicContact CE1-CG2 4.48Å; F590-V602 HydrophobicContact CE2-CG2 4.22Å; F590-V602 HydrophobicContact CG-CG2 4.15Å; F590-V602 HydrophobicContact CZ-CG1 4.28Å; F590-V602 HydrophobicContact CZ-CG2 4.41Å; F598-V602 HydrophobicContact CD1-CG2 3.91Å; F598-V602 HydrophobicContact CE1-CG2 3.63Å; V602-A604 PolarHBondContact O-N 2.89Å; V602-F646 HydrophobicContact CG1-CB 4.1Å; V602-R647 CarbonylContact C-O 3.57Å; V602-R647 WeakPolarHBondContact CA-O 3.37Å; V602-L655 HydrophobicContact CB-CD1 4.42Å; V602-L655 HydrophobicContact CG1-CD1 4.06Å; V602-L655 HydrophobicContact CG2-CD1 3.7Å
603	N	94.6	Very high	88.1	Confident	38 Å²	38	41.3 Å²	41.3	20%	0.203	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	107.4	166.9	-77.2	-20.4	0	0	0	108.9	P558 T560 R647	P558-N603 HydrophobicContact CB-CB 4.1Å; T560-N603 PolarHBondContact OG1-OD1 3.47Å; N603-R647 PolarHBondContact N-O 2.88Å; N603-R647 PolarHBondContact O-N 2.76Å
604	A	92.9	Very high	88.3	Confident	3 Å²	3	35.8 Å²	35.8	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	115	-178.2	0	0	0	0	0	111.8	P558 V559 I561 L569 V602 F646	P558-A604 WeakPolarHBondContact CA-O 3.37Å; V559-A604 PolarHBondContact N-O 2.96Å; V559-A604 PolarHBondContact O-N 2.95Å; I561-A604 HydrophobicContact CD1-CB 3.65Å; I561-A604 HydrophobicContact CG1-CB 3.99Å; L569-A604 HydrophobicContact CD1-CB 4.35Å; V602-A604 PolarHBondContact O-N 2.89Å; A604-F646 HydrophobicContact CB-CD1 3.71Å; A604-F646 HydrophobicContact CB-CE1 3.71Å
605	S	92.8	Very high	88.6	Confident	12 Å²	12	36.6 Å²	36.6	8%	0.084	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.9	171	178.1	0	0	0	0	109.2	K556 D645	K556-S605 PolarHBondContact O-OG 2.87Å; S605-D645 PolarHBondContact N-O 2.86Å; S605-D645 PolarHBondContact O-N 3Å
606	V	93.6	Very high	89	Confident	10 Å²	10	36.6 Å²	36.6	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.2	174.2	-173.9	0	0	0	0	108.8	K556 L569 L571 I583 F642 S643 V644 F646	K556-V606 WeakPolarHBondContact CB-O 3.23Å; K556-V606 WeakPolarHBondContact CD-O 3.12Å; L569-V606 HydrophobicContact CD1-CG2 3.66Å; L571-V606 HydrophobicContact CD1-CG1 4.07Å; L571-V606 HydrophobicContact CD2-CB 4.11Å; L571-V606 HydrophobicContact CD2-CG1 3.57Å; L571-V606 HydrophobicContact CG-CG1 4.47Å; I583-V606 HydrophobicContact CD1-CG1 4.15Å; V606-F642 HydrophobicContact CG1-CB 4.23Å; V606-F642 HydrophobicContact CG1-CD2 4.4Å; V606-S643 WeakPolarHBondContact CA-O 3.34Å; V606-V644 HydrophobicContact CG1-CG2 4.32Å; V606-V644 HydrophobicContact CG2-CG1 4.3Å; V606-V644 HydrophobicContact CG2-CG2 4.37Å; V606-F646 HydrophobicContact CG2-CE1 4.32Å
607	T	92.8	Very high	89.3	Confident	8 Å²	8	31.1 Å²	31.1	5%	0.049	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129.1	175.8	-65.8	0	0	0	0	108.8	V531 L553 R554 K555 K556 F642 S643	V531-T607 HydrophobicContact CG2-CG2 3.88Å; L553-T607 HydrophobicContact CB-CG2 4.33Å; L553-T607 HydrophobicContact CD1-CG2 4.45Å; R554-T607 PolarHBondContact O-OG1 2.92Å; K555-T607 WeakPolarHBondContact CA-OG1 3.49Å; K556-T607 PolarHBondContact N-OG1 3.16Å; T607-F642 CarbonylContact O-C 3.47Å; T607-F642 WeakPolarHBondContact O-CA 3.32Å; T607-F642 WeakPolarHBondContact O-CB 3.25Å; T607-S643 PolarHBondContact N-O 3.33Å; T607-S643 PolarHBondContact O-N 2.76Å
608	F	92.4	Very high	89.4	Confident	1 Å²	1	28.3 Å²	28.3	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.3	-177	178.1	-120.4	0	0	0	110.5	L571 E573 M580 V581 D610 M641 F642	L571-F608 HydrophobicContact CB-CB 4.1Å; L571-F608 HydrophobicContact CB-CD1 4.11Å; L571-F608 HydrophobicContact CB-CD2 4.37Å; L571-F608 HydrophobicContact CB-CG 3.95Å; L571-F608 HydrophobicContact CD1-CB 4.37Å; L571-F608 HydrophobicContact CD1-CD2 4.21Å; L571-F608 HydrophobicContact CD1-CG 4.4Å; L571-F608 HydrophobicContact CD2-CB 4.34Å; E573-F608 HydrophobicContact CG-CB 4.31Å; E573-F608 HydrophobicContact CG-CD1 4.36Å; E573-F608 WeakPolarHBondContact CG-O 3.11Å; E573-F608 PolarHBondContact OE1-N 2.83Å; E573-F608 VanDerWaalsContact OE2-O 3.1Å; M580-F608 HydrophobicContact CB-CE1 4.48Å; M580-F608 HydrophobicContact SD-CE1 4.22Å; M580-F608 HydrophobicContact SD-CZ 3.9Å; V581-F608 HydrophobicContact CG2-CE2 4.31Å; V581-F608 HydrophobicContact CG2-CZ 4.24Å; F608-D610 HydrophobicContact CD1-CB 3.83Å; F608-D610 HydrophobicContact CE1-CB 3.7Å; F608-D610 PolarHBondContact O-N 2.85Å; F608-M641 CarbonylContact C-O 3.59Å; F608-M641 WeakPolarHBondContact CA-O 3.29Å; F608-M641 WeakPolarHBondContact CD2-O 3.37Å; F608-F642 HydrophobicContact CD2-CB 4.03Å
609	L	91.6	Very high	89.4	Confident	6 Å²	6	27.3 Å²	27.3	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	102	166.8	-161.7	169.2	0	0	0	108.4	L553 P611 T616 A620 M641 W775	L553-L609 HydrophobicContact CD1-CB 3.92Å; L553-L609 HydrophobicContact CD1-CD1 3.99Å; L553-L609 HydrophobicContact CD1-CG 3.99Å; L609-P611 WeakPolarHBondContact O-CD 3.37Å; L609-T616 VanDerWaalsContact CD2-OG1 3.31Å; L609-T616 WeakPolarHBondContact CD2-OG1 3.45Å; L609-A620 HydrophobicContact CD1-CB 3.95Å; L609-M641 HydrophobicContact CB-CB 4.07Å; L609-M641 HydrophobicContact CB-CG 4.42Å; L609-M641 HydrophobicContact CD1-SD 3.88Å; L609-M641 PolarHBondContact N-O 2.85Å; L609-M641 PolarHBondContact O-N 2.83Å; L609-W775 HydrophobicContact CD1-CZ2 4.45Å; L609-W775 HydrophobicContact CD2-CZ2 3.57Å
610	D	88.9	Confident	89.4	Confident	3 Å²	3	22.7 Å²	22.7	2%	0.016	14%	0.14	C	C	.	.			trans	-83	111.8	179.8	-164.9	-32.1	0	0	0	111.3	E573 F608 R612 D613 T616	E573-D610 HydrophobicContact CB-CB 4.19Å; E573-D610 PolarHBondContact N-OD2 3.32Å; F608-D610 HydrophobicContact CD1-CB 3.83Å; F608-D610 HydrophobicContact CE1-CB 3.7Å; F608-D610 PolarHBondContact O-N 2.85Å; D610-R612 PolarHBondContact O-N 3.28Å; D610-R612 VanDerWaalsContact OD1-CB 3.26Å; D610-R612 WeakPolarHBondContact OD1-CB 3.45Å; D610-R612 WeakPolarHBondContact OD1-CG 3.37Å; D610-R612 IonicContact OD1-CZ 3.52Å; D610-R612 PolarHBondContact OD1-N 2Å; D610-R612 VanDerWaalsContact OD1-N 3.15Å; D610-R612 IonicContact OD1-NE 3.03Å; D610-R612 PolarHBondContact OD1-NE 3.23Å; D610-R612 IonicContact OD1-NH2 2.69Å; D610-R612 IonicContact OD2-CZ 2.64Å; D610-R612 IonicContact OD2-NE 2.72Å; D610-R612 PolarHBondContact OD2-NE 3.26Å; D610-R612 IonicContact OD2-NH2 3.55Å; D610-R612 PolarHBondContact OD2-NH2 2.99Å; D610-D613 PolarHBondContact O-N 3.07Å; D610-D613 VanDerWaalsContact O-N 3.11Å; D610-T616 PolarHBondContact O-OG1 3.33Å
611	P	88.5	Confident	89.4	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.006	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-10.9	-175.6	-17.2	30.5	0	0	0	114.5	L609 D613 Y639 G640 A774 W775	L609-P611 WeakPolarHBondContact O-CD 3.37Å; P611-D613 PolarHBondContact O-N 3.29Å; P611-Y639 VanDerWaalsContact CG-C 3.46Å; P611-G640 VanDerWaalsContact CG-CA 3.5Å; P611-A774 HydrophobicContact CB-CB 4.49Å; P611-A774 CarbonylContact O-C 3.58Å; P611-A774 VanDerWaalsContact O-CA 3.24Å; P611-A774 WeakPolarHBondContact O-CA 3.46Å; P611-W775 HydrophobicContact CB-CG 4.47Å; P611-W775 VanDerWaalsContact CB-O 3.27Å; P611-W775 WeakPolarHBondContact CB-O 3.48Å; P611-W775 PolarHBondContact O-N 3.48Å
612	R	84.6	Confident	89.3	Confident	20 Å²	20	18.6 Å²	18.6	8%	0.075	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.3	175	-60.5	176	-61.8	178	3.3	112	V574 E578 D610 P772 A774	V574-R612 HydrophobicContact CG2-CB 3.99Å; E578-R612 PolarHBondContact O-NH1 2.9Å; E578-R612 PolarHBondContact O-NH2 2.92Å; D610-R612 PolarHBondContact O-N 3.28Å; D610-R612 VanDerWaalsContact OD1-CB 3.26Å; D610-R612 WeakPolarHBondContact OD1-CB 3.45Å; D610-R612 WeakPolarHBondContact OD1-CG 3.37Å; D610-R612 IonicContact OD1-CZ 3.52Å; D610-R612 PolarHBondContact OD1-N 2Å; D610-R612 VanDerWaalsContact OD1-N 3.15Å; D610-R612 IonicContact OD1-NE 3.03Å; D610-R612 PolarHBondContact OD1-NE 3.23Å; D610-R612 IonicContact OD1-NH2 2.69Å; D610-R612 IonicContact OD2-CZ 2.64Å; D610-R612 IonicContact OD2-NE 2.72Å; D610-R612 PolarHBondContact OD2-NE 3.26Å; D610-R612 IonicContact OD2-NH2 3.55Å; D610-R612 PolarHBondContact OD2-NH2 2.99Å; R612-P772 HydrophobicContact CB-CB 4.41Å; R612-P772 HydrophobicContact CB-CG 4.18Å; R612-P772 WeakPolarHBondContact O-CB 3.26Å; R612-A774 HydrophobicContact CG-CB 4.43Å
613	D	84.9	Confident	89.1	Confident	62 Å²	62	19.7 Å²	19.7	33%	0.332	12%	0.119	S	C	.	.			trans	-98.3	102.7	167.9	-175.4	-3.6	0	0	0	111	D610 P611 T615 T616	D610-D613 PolarHBondContact O-N 3.07Å; D610-D613 VanDerWaalsContact O-N 3.11Å; P611-D613 PolarHBondContact O-N 3.29Å; D613-T615 VanDerWaalsContact CG-OG1 3.22Å; D613-T615 PolarHBondContact O-N 3.28Å; D613-T615 WeakPolarHBondContact OD1-CB 3.06Å; D613-T615 WeakPolarHBondContact OD1-CG2 3.39Å; D613-T615 PolarHBondContact OD1-N 3.41Å; D613-T615 PolarHBondContact OD1-OG1 2.88Å; D613-T615 PolarHBondContact OD2-OG1 3.38Å; D613-T616 HydrophobicContact CB-CG2 4.09Å; D613-T616 PolarHBondContact O-N 2.77Å; D613-T616 PolarHBondContact O-OG1 3.17Å
614	V	81.9	Confident	89	Confident	45 Å²	45	18 Å²	18	27%	0.273	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-60.9	-27.1	-179.7	-171.1	0	0	0	0	112.5	T616 A617 M762 R773	V614-T616 PolarHBondContact O-N 3.47Å; V614-A617 VanDerWaalsContact O-CB 3.26Å; V614-A617 WeakPolarHBondContact O-CB 3.29Å; V614-A617 PolarHBondContact O-N 3.05Å; V614-M762 HydrophobicContact CB-CE 4.18Å; V614-M762 HydrophobicContact CG1-CE 3.75Å; V614-M762 HydrophobicContact CG1-SD 3.88Å; V614-M762 HydrophobicContact CG2-CE 3.27Å; V614-M762 HydrophobicContact CG2-SD 4.25Å; V614-R773 WeakPolarHBondContact CG2-O 3.36Å
615	T	80.9	Confident	89	Confident	107 Å²	107	18.7 Å²	18.7	66%	0.656	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-68.3	-24.5	-177.8	70.9	0	0	0	0	112.1	D613 A617	D613-T615 VanDerWaalsContact CG-OG1 3.22Å; D613-T615 PolarHBondContact O-N 3.28Å; D613-T615 WeakPolarHBondContact OD1-CB 3.06Å; D613-T615 WeakPolarHBondContact OD1-CG2 3.39Å; D613-T615 PolarHBondContact OD1-N 3.41Å; D613-T615 PolarHBondContact OD1-OG1 2.88Å; D613-T615 PolarHBondContact OD2-OG1 3.38Å; T615-A617 VanDerWaalsContact C-N 3.33Å
616	T	83.3	Confident	89	Confident	18 Å²	18	18.9 Å²	18.9	11%	0.11	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-81.2	-9.4	178.1	69.2	0	0	0	0	113.5	L609 D610 D613 V614 A618 A619	L609-T616 VanDerWaalsContact CD2-OG1 3.31Å; L609-T616 WeakPolarHBondContact CD2-OG1 3.45Å; D610-T616 PolarHBondContact O-OG1 3.33Å; D613-T616 HydrophobicContact CB-CG2 4.09Å; D613-T616 PolarHBondContact O-N 2.77Å; D613-T616 PolarHBondContact O-OG1 3.17Å; V614-T616 PolarHBondContact O-N 3.47Å; T616-A618 VanDerWaalsContact C-N 3.28Å; T616-A618 PolarHBondContact O-N 3.07Å; T616-A619 WeakPolarHBondContact O-CA 3.5Å; T616-A619 VanDerWaalsContact O-CB 3.29Å; T616-A619 WeakPolarHBondContact O-CB 3.32Å; T616-A619 PolarHBondContact O-N 3.3Å
617	A	86.9	Confident	88.9	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-55.7	-41.8	-178.5	0	0	0	0	0	112.7	V614 T615 A619 A620 I760 W775	V614-A617 VanDerWaalsContact O-CB 3.26Å; V614-A617 WeakPolarHBondContact O-CB 3.29Å; V614-A617 PolarHBondContact O-N 3.05Å; T615-A617 VanDerWaalsContact C-N 3.33Å; A617-A619 PolarHBondContact O-N 3.08Å; A617-A619 VanDerWaalsContact O-N 3.17Å; A617-A620 WeakPolarHBondContact O-CB 3.4Å; A617-A620 PolarHBondContact O-N 2.83Å; A617-A620 VanDerWaalsContact O-N 3.11Å; A617-I760 HydrophobicContact CB-CD1 4.02Å; A617-I760 HydrophobicContact CB-CG2 4.21Å; A617-W775 VanDerWaalsContact CA-CE2 3.48Å; A617-W775 HydrophobicContact CB-CD2 3.55Å; A617-W775 HydrophobicContact CB-CE3 4.03Å; A617-W775 HydrophobicContact CB-CG 3.76Å; A617-W775 HydrophobicContact CB-CZ2 4.22Å
618	A	86.8	Confident	88.7	Confident	33 Å²	33	19.7 Å²	19.7	27%	0.273	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-67.3	-13.7	176.9	0	0	0	0	0	113.4	K535 K551 T616	K535-A618 PolarHBondContact NZ-O 2.85Å; K551-A618 HydrophobicContact CG-CB 3.87Å; T616-A618 VanDerWaalsContact C-N 3.28Å; T616-A618 PolarHBondContact O-N 3.07Å
619	A	89.9	Confident	88.4	Confident	2 Å²	2	23 Å²	23	2%	0.017	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-92.5	-4.7	175.9	0	0	0	0	0	113.4	A481 K551 L553 T616 A617	A481-A619 HydrophobicContact CB-CB 3.93Å; K551-A619 HydrophobicContact CB-CB 3.86Å; L553-A619 HydrophobicContact CD2-CB 3.76Å; L553-A619 HydrophobicContact CG-CB 3.85Å; T616-A619 WeakPolarHBondContact O-CA 3.5Å; T616-A619 VanDerWaalsContact O-CB 3.29Å; T616-A619 WeakPolarHBondContact O-CB 3.32Å; T616-A619 PolarHBondContact O-N 3.3Å; A617-A619 PolarHBondContact O-N 3.08Å; A617-A619 VanDerWaalsContact O-N 3.17Å
620	A	91.4	Very high	88.1	Confident	3 Å²	3	28.1 Å²	28.1	3%	0.025	18%	0.176	C	C	.	.			trans	-56	139.8	176.9	0	0	0	0	0	112.3	K535 L609 A617 M641 W775	K535-A620 WeakPolarHBondContact CE-O 3.5Å; K535-A620 PolarHBondContact NZ-O 3.25Å; L609-A620 HydrophobicContact CD1-CB 3.95Å; A617-A620 WeakPolarHBondContact O-CB 3.4Å; A617-A620 PolarHBondContact O-N 2.83Å; A617-A620 VanDerWaalsContact O-N 3.11Å; A620-M641 HydrophobicContact CB-SD 3.75Å; A620-W775 HydrophobicContact CB-CH2 3.44Å; A620-W775 VanDerWaalsContact CB-CH2 3.44Å; A620-W775 HydrophobicContact CB-CZ2 3.92Å; A620-W775 HydrophobicContact CB-CZ3 4.4Å
621	S	91.1	Very high	88	Confident	9 Å²	9	28.1 Å²	28.1	6%	0.063	18%	0.177	C	C	.	.	S	Bend	trans	-81.2	141.3	177	-66.3	0	0	0	0	110.8	T534 M641	T534-S621 CarbonylContact O-C 3.59Å; T534-S621 WeakPolarHBondContact O-CA 2.87Å; S621-M641 WeakPolarHBondContact O-CE 3.32Å
622	S	91.8	Very high	88	Confident	9 Å²	9	31.2 Å²	31.2	6%	0.063	19%	0.194	C	C	.	.	S	Bend	trans	59.8	-173.2	-176.4	168.1	0	0	0	0	113.2	T534 G688	T534-S622 PolarHBondContact O-N 3.4Å; S622-G688 WeakPolarHBondContact CB-O 3.35Å; S622-G688 PolarHBondContact OG-O 2.63Å
623	D	89.9	Confident	88.1	Confident	24 Å²	24	34.9 Å²	34.9	13%	0.128	21%	0.213	C	C	.	.			trans	-104.8	18.3	176	68.6	-11.1	0	0	0	112.2	R518 V536 N625 R777	R518-D623 IonicContact CZ-OD1 3.68Å; R518-D623 IonicContact CZ-OD2 2.67Å; R518-D623 IonicContact NH1-OD1 3.95Å; R518-D623 IonicContact NH1-OD2 3.22Å; R518-D623 PolarHBondContact NH1-OD2 2.84Å; R518-D623 IonicContact NH2-OD1 3.02Å; R518-D623 PolarHBondContact NH2-OD1 3.47Å; R518-D623 IonicContact NH2-OD2 2.58Å; R518-D623 PolarHBondContact NH2-OD2 3.43Å; V536-D623 HydrophobicContact CB-CB 4.31Å; D623-N625 PolarHBondContact O-N 3.22Å; D623-N625 WeakPolarHBondContact OD1-CB 3.48Å; D623-N625 PolarHBondContact OD1-N 2.75Å; D623-N625 PolarHBondContact OD1-ND2 3.43Å; D623-N625 PolarHBondContact OD2-ND2 2.71Å; D623-R777 PolarHBondContact O-NH1 2.87Å; D623-R777 PolarHBondContact O-NH2 3.35Å
624	L	93	Very high	88.4	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	21%	0.206	C	C	.	.	S	Bend	trans	56.9	41.8	177.4	-60.1	171.1	0	0	0	113.3	L636 T638 M641 N725 W775 R777	L624-L636 HydrophobicContact CB-CB 4.26Å; L624-L636 WeakPolarHBondContact O-CB 3.42Å; L624-L636 PolarHBondContact O-N 2.63Å; L624-T638 HydrophobicContact CD1-CG2 3.92Å; L624-M641 HydrophobicContact CD2-CE 4.3Å; L624-N725 VanDerWaalsContact CD2-ND2 3.34Å; L624-N725 WeakPolarHBondContact CD2-ND2 2.93Å; L624-W775 HydrophobicContact CD1-CH2 4.28Å; L624-W775 HydrophobicContact CD1-CZ3 3.91Å; L624-R777 HydrophobicContact CD1-CG 4.5Å; L624-R777 PolarHBondContact O-NH1 3.08Å
625	N	92.6	Very high	88.9	Confident	18 Å²	18	31.9 Å²	31.9	10%	0.096	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	149.7	175.8	-75	-42.9	0	0	0	113	D623 M633 L634 P635 L689 W690 R777	D623-N625 PolarHBondContact O-N 3.22Å; D623-N625 WeakPolarHBondContact OD1-CB 3.48Å; D623-N625 PolarHBondContact OD1-N 2.75Å; D623-N625 PolarHBondContact OD1-ND2 3.43Å; D623-N625 PolarHBondContact OD2-ND2 2.71Å; N625-M633 HydrophobicContact CB-CG 3.94Å; N625-M633 HydrophobicContact CB-SD 4.06Å; N625-L634 WeakPolarHBondContact CA-O 3.42Å; N625-L634 PolarHBondContact OD1-O 3.33Å; N625-P635 VanDerWaalsContact OD1-CA 3.31Å; N625-P635 WeakPolarHBondContact OD1-CA 3.45Å; N625-L689 HydrophobicContact CB-CD2 4.06Å; N625-L689 WeakPolarHBondContact O-CD2 3.43Å; N625-W690 PolarHBondContact O-N 3.29Å; N625-R777 PolarHBondContact ND2-NH2 2.75Å; N625-R777 PolarHBondContact OD1-NH2 3.03Å; N625-R777 VanDerWaalsContact OD1-NH2 3.13Å
626	F	93.3	Very high	89.5	Confident	17 Å²	17	26.8 Å²	26.8	8%	0.075	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	166.1	174.5	78.8	-77.3	0	0	0	111.4	M633 L634 L636 W681 W690 P729	F626-M633 WeakPolarHBondContact O-CA 3.39Å; F626-L634 HydrophobicContact CD1-CB 3.92Å; F626-L634 WeakPolarHBondContact CD1-O 3.47Å; F626-L634 HydrophobicContact CE1-CB 3.37Å; F626-L634 HydrophobicContact CE1-CD1 4.34Å; F626-L634 HydrophobicContact CE1-CG 4.49Å; F626-L634 HydrophobicContact CE2-CB 4.34Å; F626-L634 HydrophobicContact CE2-CD1 4.14Å; F626-L634 HydrophobicContact CZ-CB 3.61Å; F626-L634 HydrophobicContact CZ-CD1 3.69Å; F626-L634 HydrophobicContact CZ-CG 4.28Å; F626-L634 PolarHBondContact N-O 3.38Å; F626-L634 PolarHBondContact O-N 3.05Å; F626-L636 HydrophobicContact CD1-CD1 4.47Å; F626-L636 HydrophobicContact CD1-CD2 3.43Å; F626-L636 VanDerWaalsContact CD1-CD2 3.43Å; F626-L636 HydrophobicContact CD1-CG 3.69Å; F626-L636 HydrophobicContact CE1-CD2 3.65Å; F626-L636 HydrophobicContact CE1-CG 4.32Å; F626-L636 HydrophobicContact CG-CD2 4.24Å; F626-L636 HydrophobicContact CG-CG 4.48Å; F626-W681 HydrophobicContact CB-CE3 4.45Å; F626-W681 HydrophobicContact CB-CZ3 3.86Å; F626-W681 HydrophobicContact CD1-CH2 4.26Å; F626-W681 HydrophobicContact CD1-CZ3 4.43Å; F626-W681 AromaticContact CD2-CH2 3.79Å; F626-W681 HydrophobicContact CD2-CH2 3.79Å; F626-W681 AromaticContact CD2-CZ3 3.74Å; F626-W681 HydrophobicContact CD2-CZ3 3.74Å; F626-W681 HydrophobicContact CE1-CH2 4.42Å; F626-W681 AromaticContact CE2-CH2 3.98Å; F626-W681 HydrophobicContact CE2-CH2 3.98Å; F626-W681 HydrophobicContact CE2-CZ3 4.39Å; F626-W681 AromaticContact CG-CH2 3.94Å; F626-W681 HydrophobicContact CG-CH2 3.94Å; F626-W681 AromaticContact CG-CZ3 3.76Å; F626-W681 HydrophobicContact CG-CZ3 3.76Å; F626-W681 HydrophobicContact CZ-CH2 4.29Å; F626-W690 HydrophobicContact CB-CB 4.46Å; F626-W690 WeakPolarHBondContact CB-O 3.3Å; F626-P729 HydrophobicContact CE1-CB 3.86Å; F626-P729 HydrophobicContact CE1-CG 4.13Å; F626-P729 HydrophobicContact CZ-CB 3.77Å; F626-P729 HydrophobicContact CZ-CG 3.9Å
627	I	91.3	Very high	89.8	Confident	23 Å²	23	25.9 Å²	25.9	12%	0.118	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122	173.5	-63.9	167.4	0	0	0	109.4	A366 V367 L689	A366-I627 WeakPolarHBondContact O-CG2 3.44Å; V367-I627 HydrophobicContact CG2-CD1 3.9Å; I627-L689 HydrophobicContact CD1-CD1 3.61Å; I627-L689 HydrophobicContact CG1-CD1 3.89Å
628	G	88	Confident	90	Very high	12 Å²	12	26 Å²	26	12%	0.124	16%	0.159	C	C	.	.			trans	-76.6	176.3	176.5	0	0	0	0	0	113.7	E630 G631 D632	G628-E630 VanDerWaalsContact C-N 3.3Å; G628-E630 PolarHBondContact O-N 2.88Å; G628-G631 PolarHBondContact O-N 3.29Å; G628-D632 PolarHBondContact N-O 2.8Å
629	G	85.5	Confident	90.1	Very high	69 Å²	69	24.6 Å²	24.6	71%	0.711	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-32.9	-176.3	0	0	0	0	0	114.8	G631	G629-G631 VanDerWaalsContact C-N 3.29Å; G629-G631 PolarHBondContact O-N 3.29Å
630	E	86.3	Confident	90.1	Very high	114 Å²	114	24.5 Å²	24.5	53%	0.533	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-8	177.7	-67.2	-55.1	140.1	0	0	114	R359 G628	R359-E630 IonicContact CZ-OE2 3.35Å; R359-E630 PolarHBondContact NE-O 3.08Å; R359-E630 IonicContact NH2-OE2 3.03Å; R359-E630 PolarHBondContact NH2-OE2 2.86Å; G628-E630 VanDerWaalsContact C-N 3.3Å; G628-E630 PolarHBondContact O-N 2.88Å
631	G	87	Confident	90.2	Very high	4 Å²	4	24.8 Å²	24.8	4%	0.041	15%	0.147	C	C	.	.	S	Bend	trans	92.5	8	-176.3	0	0	0	0	0	115.3	A366 K368 G628 G629	A366-G631 VanDerWaalsContact C-CA 3.49Å; A366-G631 WeakPolarHBondContact O-CA 3.04Å; K368-G631 PolarHBondContact N-O 3.45Å; K368-G631 VanDerWaalsContact N-O 3.12Å; G628-G631 PolarHBondContact O-N 3.29Å; G629-G631 VanDerWaalsContact C-N 3.29Å; G629-G631 PolarHBondContact O-N 3.29Å
632	D	87.2	Confident	90.3	Very high	66 Å²	66	24.5 Å²	24.5	35%	0.353	15%	0.145	S	C	.	.			trans	-78.6	144.3	173.4	-64.6	-60.4	0	0	0	111.7	K368 G628	K368-D632 VanDerWaalsContact CD-OD1 3.3Å; K368-D632 WeakPolarHBondContact CD-OD1 3.21Å; K368-D632 WeakPolarHBondContact CE-OD1 3.42Å; K368-D632 IonicContact NZ-OD1 3.05Å; K368-D632 PolarHBondContact NZ-OD1 3.09Å; K368-D632 IonicContact NZ-OD2 3.93Å; K368-D632 PolarHBondContact NZ-OD2 3.02Å; G628-D632 PolarHBondContact N-O 2.8Å
633	M	88.3	Confident	90.4	Very high	96 Å²	96	25 Å²	25	47%	0.473	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.5	172.1	-169.5	177.8	-64.3	0	0	109.9	N625 F626 L689	N625-M633 HydrophobicContact CB-CG 3.94Å; N625-M633 HydrophobicContact CB-SD 4.06Å; F626-M633 WeakPolarHBondContact O-CA 3.39Å; M633-L689 HydrophobicContact CE-CD2 4.21Å
634	L	89.9	Confident	90.6	Very high	36 Å²	36	24 Å²	24	19%	0.188	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.3	-174.9	-62.3	177	0	0	0	110.4	N625 F626	N625-L634 WeakPolarHBondContact CA-O 3.42Å; N625-L634 PolarHBondContact OD1-O 3.33Å; F626-L634 HydrophobicContact CD1-CB 3.92Å; F626-L634 WeakPolarHBondContact CD1-O 3.47Å; F626-L634 HydrophobicContact CE1-CB 3.37Å; F626-L634 HydrophobicContact CE1-CD1 4.34Å; F626-L634 HydrophobicContact CE1-CG 4.49Å; F626-L634 HydrophobicContact CE2-CB 4.34Å; F626-L634 HydrophobicContact CE2-CD1 4.14Å; F626-L634 HydrophobicContact CZ-CB 3.61Å; F626-L634 HydrophobicContact CZ-CD1 3.69Å; F626-L634 HydrophobicContact CZ-CG 4.28Å; F626-L634 PolarHBondContact N-O 3.38Å; F626-L634 PolarHBondContact O-N 3.05Å
635	P	92.6	Very high	90.5	Very high	8 Å²	8	25.4 Å²	25.4	5%	0.052	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	148.9	178.7	35.8	-38.3	0	0	0	112.1	N625 E730 R733 F793	N625-P635 VanDerWaalsContact OD1-CA 3.31Å; N625-P635 WeakPolarHBondContact OD1-CA 3.45Å; P635-E730 VanDerWaalsContact CG-O 3.29Å; P635-E730 WeakPolarHBondContact CG-O 3.19Å; P635-E730 PolarHBondContact O-N 2.88Å; P635-R733 HydrophobicContact CG-CG 4.16Å; P635-F793 HydrophobicContact CB-CE1 4.06Å; P635-F793 HydrophobicContact CB-CZ 4.2Å; P635-F793 HydrophobicContact CG-CE1 3.84Å; P635-F793 HydrophobicContact CG-CZ 4.4Å
636	L	92.9	Very high	90.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	149.4	165.4	-63.5	175.8	0	0	0	110.2	L624 F626 W681 W690 D727 P729 R777	L624-L636 HydrophobicContact CB-CB 4.26Å; L624-L636 WeakPolarHBondContact O-CB 3.42Å; L624-L636 PolarHBondContact O-N 2.63Å; F626-L636 HydrophobicContact CD1-CD1 4.47Å; F626-L636 HydrophobicContact CD1-CD2 3.43Å; F626-L636 VanDerWaalsContact CD1-CD2 3.43Å; F626-L636 HydrophobicContact CD1-CG 3.69Å; F626-L636 HydrophobicContact CE1-CD2 3.65Å; F626-L636 HydrophobicContact CE1-CG 4.32Å; F626-L636 HydrophobicContact CG-CD2 4.24Å; F626-L636 HydrophobicContact CG-CG 4.48Å; L636-W681 HydrophobicContact CD1-CD2 3.87Å; L636-W681 HydrophobicContact CD1-CE3 4.1Å; L636-W681 HydrophobicContact CD1-CG 4.14Å; L636-W681 HydrophobicContact CD2-CD2 4.21Å; L636-W681 HydrophobicContact CD2-CE3 4.48Å; L636-W681 HydrophobicContact CD2-CH2 3.8Å; L636-W681 HydrophobicContact CD2-CZ2 3.45Å; L636-W681 VanDerWaalsContact CD2-CZ2 3.45Å; L636-W681 HydrophobicContact CD2-CZ3 4.3Å; L636-W690 HydrophobicContact CD1-CB 3.48Å; L636-W690 VanDerWaalsContact CD1-CB 3.48Å; L636-W690 HydrophobicContact CD1-CG 3.73Å; L636-D727 HydrophobicContact CB-CB 4.04Å; L636-D727 WeakPolarHBondContact CB-OD2 3.22Å; L636-D727 HydrophobicContact CD1-CB 4.16Å; L636-D727 HydrophobicContact CD2-CB 4.28Å; L636-D727 HydrophobicContact CG-CB 4.39Å; L636-P729 HydrophobicContact CD2-CG 4.27Å; L636-R777 PolarHBondContact O-NH1 3.14Å; L636-R777 VanDerWaalsContact O-NH1 3.16Å
637	R	91.2	Very high	90.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.3	162.8	178.9	-170.2	172.1	73.8	14.1	108.7	Y639 H674 D727 V728 E730 E763 G776 F793	R637-Y639 HydrophobicContact CG-CE2 4.48Å; R637-Y639 PolarHBondContact NE-OH 3.22Å; R637-H674 WeakPolarHBondContact CD-CE1 3.39Å; R637-D727 VanDerWaalsContact O-CA 3.25Å; R637-D727 WeakPolarHBondContact O-CA 3.42Å; R637-D727 VanDerWaalsContact O-CB 3.3Å; R637-D727 WeakPolarHBondContact O-CB 3.36Å; R637-V728 PolarHBondContact N-O 3.39Å; R637-V728 PolarHBondContact O-N 3.17Å; R637-E730 HydrophobicContact CB-CB 4.22Å; R637-E763 IonicContact CZ-OE1 2.75Å; R637-E763 VanDerWaalsContact NH2-CD 3.28Å; R637-E763 IonicContact NH2-OE1 3.12Å; R637-E763 PolarHBondContact NH2-OE1 2.66Å; R637-G776 CarbonylContact C-O 3.55Å; R637-G776 WeakPolarHBondContact CA-O 3.22Å; R637-F793 HydrophobicContact CB-CE2 3.81Å; R637-F793 HydrophobicContact CB-CZ 4.16Å; R637-F793 HydrophobicContact CG-CE2 4.18Å
638	T	91.1	Very high	90.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	141	-178.3	-168.5	0	0	0	0	115.6	L624 G640 N725 D727 W775 G776	L624-T638 HydrophobicContact CD1-CG2 3.92Å; T638-G640 PolarHBondContact OG1-N 2.8Å; T638-N725 PolarHBondContact OG1-OD1 2.9Å; T638-D727 VanDerWaalsContact CA-CG 3.43Å; T638-D727 WeakPolarHBondContact CA-OD1 3.46Å; T638-D727 WeakPolarHBondContact CB-OD1 3.22Å; T638-D727 WeakPolarHBondContact CB-OD2 3.45Å; T638-D727 PolarHBondContact OG1-OD1 2.95Å; T638-W775 HydrophobicContact CG2-CE3 4.25Å; T638-W775 HydrophobicContact CG2-CH2 3.61Å; T638-W775 HydrophobicContact CG2-CZ2 4.15Å; T638-W775 HydrophobicContact CG2-CZ3 3.69Å; T638-G776 PolarHBondContact N-O 2.92Å
639	Y	88.6	Confident	90.6	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.02	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	7.4	166	-72.4	-87.1	0	0	0	112.5	M580 P611 R637 V669 H674 M678 L726 V728	M580-Y639 HydrophobicContact CE-CD1 4.43Å; M580-Y639 WeakPolarHBondContact CE-O 3.3Å; P611-Y639 VanDerWaalsContact CG-C 3.46Å; R637-Y639 HydrophobicContact CG-CE2 4.48Å; R637-Y639 PolarHBondContact NE-OH 3.22Å; Y639-V669 HydrophobicContact CD1-CG2 4.32Å; Y639-V669 HydrophobicContact CE1-CB 4.45Å; Y639-V669 HydrophobicContact CE1-CG1 4.23Å; Y639-V669 HydrophobicContact CE1-CG2 4.38Å; Y639-H674 HydrophobicContact CE2-CB 4.34Å; Y639-H674 AromaticContact CE2-ND1 3.69Å; Y639-H674 AromaticContact CZ-ND1 3.63Å; Y639-H674 PolarHBondContact OH-ND1 2.86Å; Y639-M678 HydrophobicContact CD2-CE 3.47Å; Y639-M678 VanDerWaalsContact CD2-CE 3.47Å; Y639-M678 HydrophobicContact CD2-SD 4.23Å; Y639-M678 HydrophobicContact CE2-CE 3.9Å; Y639-M678 HydrophobicContact CG-CE 3.93Å; Y639-L726 VanDerWaalsContact CB-O 3.31Å; Y639-L726 WeakPolarHBondContact CB-O 3.49Å; Y639-L726 PolarHBondContact N-O 3.42Å; Y639-V728 HydrophobicContact CD2-CG2 4.48Å; Y639-V728 HydrophobicContact CE2-CG2 4.18Å
640	G	90.1	Very high	90.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138	142.3	171.7	0	0	0	0	0	112.4	P611 T638 N725 L726	P611-G640 VanDerWaalsContact CG-CA 3.5Å; T638-G640 PolarHBondContact OG1-N 2.8Å; G640-N725 PolarHBondContact O-OD1 3.28Å; G640-L726 PolarHBondContact O-N 3.39Å; G640-L726 VanDerWaalsContact O-N 3.08Å
641	M	93.3	Very high	90.7	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.044	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.4	-176.2	-38.6	173.6	69.9	0	0	108.3	F608 L609 A620 S621 L624 W690 F724 N725	F608-M641 CarbonylContact C-O 3.59Å; F608-M641 WeakPolarHBondContact CA-O 3.29Å; F608-M641 WeakPolarHBondContact CD2-O 3.37Å; L609-M641 HydrophobicContact CB-CB 4.07Å; L609-M641 HydrophobicContact CB-CG 4.42Å; L609-M641 HydrophobicContact CD1-SD 3.88Å; L609-M641 PolarHBondContact N-O 2.85Å; L609-M641 PolarHBondContact O-N 2.83Å; A620-M641 HydrophobicContact CB-SD 3.75Å; S621-M641 WeakPolarHBondContact O-CE 3.32Å; L624-M641 HydrophobicContact CD2-CE 4.3Å; M641-W690 HydrophobicContact CE-CH2 3.53Å; M641-W690 HydrophobicContact CE-CZ2 3.19Å; M641-F724 CarbonylContact C-O 3.52Å; M641-F724 WeakPolarHBondContact CA-O 3.3Å; M641-N725 VanDerWaalsContact CG-OD1 3.27Å; M641-N725 WeakPolarHBondContact CG-OD1 3.25Å
642	F	93.4	Very high	90.6	Very high	2 Å²	2	39 Å²	39	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	145.6	172.4	54.7	-79	0	0	0	112.3	L571 I583 V606 T607 F608 V644 M716 F724 L726	L571-F642 HydrophobicContact CD1-CB 4.12Å; L571-F642 HydrophobicContact CD1-CD1 4.41Å; L571-F642 HydrophobicContact CD1-CG 4.14Å; I583-F642 HydrophobicContact CD1-CD2 3.85Å; I583-F642 HydrophobicContact CD1-CE2 3.79Å; I583-F642 HydrophobicContact CD1-CZ 4.45Å; V606-F642 HydrophobicContact CG1-CB 4.23Å; V606-F642 HydrophobicContact CG1-CD2 4.4Å; T607-F642 CarbonylContact O-C 3.47Å; T607-F642 WeakPolarHBondContact O-CA 3.32Å; T607-F642 WeakPolarHBondContact O-CB 3.25Å; F608-F642 HydrophobicContact CD2-CB 4.03Å; F642-V644 HydrophobicContact CD2-CG2 3.69Å; F642-V644 HydrophobicContact CE2-CG2 3.99Å; F642-M716 HydrophobicContact CE2-CE 4.36Å; F642-M716 HydrophobicContact CE2-SD 4.19Å; F642-M716 HydrophobicContact CZ-CE 3.7Å; F642-M716 HydrophobicContact CZ-SD 4.13Å; F642-F724 HydrophobicContact CD1-CB 4.43Å; F642-F724 HydrophobicContact CD2-CB 4.22Å; F642-F724 HydrophobicContact CD2-CD2 4.43Å; F642-F724 HydrophobicContact CE1-CB 3.85Å; F642-F724 HydrophobicContact CE2-CB 3.61Å; F642-F724 AromaticContact CE2-CD2 3.85Å; F642-F724 HydrophobicContact CE2-CD2 3.85Å; F642-F724 HydrophobicContact CE2-CG 4.02Å; F642-F724 HydrophobicContact CZ-CB 3.37Å; F642-F724 HydrophobicContact CZ-CD2 4.39Å; F642-F724 HydrophobicContact CZ-CG 4.09Å; F642-F724 PolarHBondContact N-O 2.97Å; F642-F724 PolarHBondContact O-N 2.97Å; F642-L726 HydrophobicContact CE1-CD1 4.4Å; F642-L726 HydrophobicContact CE1-CG 4.22Å
643	S	93.8	Very high	90.7	Very high	20 Å²	20	37.9 Å²	37.9	14%	0.14	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.1	170.9	-172.2	0	0	0	0	109.7	V531 V606 T607 R722	V531-S643 WeakPolarHBondContact CG1-OG 3.21Å; V606-S643 WeakPolarHBondContact CA-O 3.34Å; T607-S643 PolarHBondContact N-O 3.33Å; T607-S643 PolarHBondContact O-N 2.76Å; S643-R722 CarbonylContact C-O 3.59Å; S643-R722 VanDerWaalsContact CA-O 3.26Å; S643-R722 WeakPolarHBondContact CA-O 3.34Å
644	V	92.5	Very high	90.7	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130	179.2	-175.3	0	0	0	0	110.8	V606 F642 F646 I718 R722 F724	V606-V644 HydrophobicContact CG1-CG2 4.32Å; V606-V644 HydrophobicContact CG2-CG1 4.3Å; V606-V644 HydrophobicContact CG2-CG2 4.37Å; F642-V644 HydrophobicContact CD2-CG2 3.69Å; F642-V644 HydrophobicContact CE2-CG2 3.99Å; V644-F646 HydrophobicContact CG1-CD1 3.64Å; V644-F646 HydrophobicContact CG1-CD2 3.82Å; V644-F646 HydrophobicContact CG1-CE1 3.23Å; V644-F646 HydrophobicContact CG1-CE2 3.46Å; V644-F646 VanDerWaalsContact CG1-CE2 3.46Å; V644-F646 HydrophobicContact CG1-CG 3.92Å; V644-F646 HydrophobicContact CG1-CZ 3.15Å; V644-I718 HydrophobicContact CB-CD1 4.22Å; V644-I718 HydrophobicContact CG1-CD1 3.91Å; V644-I718 HydrophobicContact CG2-CD1 4.1Å; V644-R722 PolarHBondContact N-O 2.85Å; V644-R722 WeakPolarHBondContact O-CB 3.04Å; V644-R722 WeakPolarHBondContact O-CD 3.01Å; V644-F724 HydrophobicContact CG2-CD2 4.45Å
645	D	91.8	Very high	90.8	Very high	31 Å²	31	35 Å²	35	17%	0.166	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	112	174.1	-169.3	-3.4	0	0	0	108.3	K555 S605 R647	K555-D645 IonicContact NZ-OD2 3.74Å; K555-D645 PolarHBondContact NZ-OD2 2.59Å; S605-D645 PolarHBondContact N-O 2.86Å; S605-D645 PolarHBondContact O-N 3Å; D645-R647 IonicContact OD1-CZ 3.24Å; D645-R647 IonicContact OD1-NE 3.42Å; D645-R647 PolarHBondContact OD1-NE 3.36Å; D645-R647 IonicContact OD1-NH2 3.63Å; D645-R647 IonicContact OD2-NE 3.31Å; D645-R647 IonicContact OD2-NH2 3.91Å
646	F	92.7	Very high	90.7	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.8	-178.4	-63.7	-31	0	0	0	109.5	I585 F590 V602 A604 V606 V644 L655 A657 I718	I585-F646 HydrophobicContact CD1-CE1 4.25Å; I585-F646 HydrophobicContact CD1-CE2 4.06Å; I585-F646 HydrophobicContact CD1-CZ 3.52Å; F590-F646 HydrophobicContact CD1-CD2 4.27Å; F590-F646 HydrophobicContact CE1-CB 4.34Å; F590-F646 AromaticContact CE1-CD2 3.58Å; F590-F646 HydrophobicContact CE1-CD2 3.58Å; F590-F646 AromaticContact CE1-CE2 3.83Å; F590-F646 HydrophobicContact CE1-CE2 3.83Å; F590-F646 AromaticContact CE1-CG 3.95Å; F590-F646 HydrophobicContact CE1-CG 3.95Å; F590-F646 HydrophobicContact CE1-CZ 4.44Å; V602-F646 HydrophobicContact CG1-CB 4.1Å; A604-F646 HydrophobicContact CB-CD1 3.71Å; A604-F646 HydrophobicContact CB-CE1 3.71Å; V606-F646 HydrophobicContact CG2-CE1 4.32Å; V644-F646 HydrophobicContact CG1-CD1 3.64Å; V644-F646 HydrophobicContact CG1-CD2 3.82Å; V644-F646 HydrophobicContact CG1-CE1 3.23Å; V644-F646 HydrophobicContact CG1-CE2 3.46Å; V644-F646 VanDerWaalsContact CG1-CE2 3.46Å; V644-F646 HydrophobicContact CG1-CG 3.92Å; V644-F646 HydrophobicContact CG1-CZ 3.15Å; F646-L655 HydrophobicContact CB-CB 4.23Å; F646-L655 PolarHBondContact O-N 3.41Å; F646-A657 HydrophobicContact CD2-CB 4.21Å; F646-A657 HydrophobicContact CE2-CB 3.95Å; F646-I718 HydrophobicContact CE2-CD1 3.72Å; F646-I718 HydrophobicContact CZ-CD1 4.2Å
647	R	91.9	Very high	90.4	Very high	61 Å²	61	35.7 Å²	35.7	23%	0.23	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.7	-176.7	-62.3	-179.1	175	-112.3	2.1	111.7	V602 N603 D645 N652 E653	V602-R647 CarbonylContact C-O 3.57Å; V602-R647 WeakPolarHBondContact CA-O 3.37Å; N603-R647 PolarHBondContact N-O 2.88Å; N603-R647 PolarHBondContact O-N 2.76Å; D645-R647 IonicContact OD1-CZ 3.24Å; D645-R647 IonicContact OD1-NE 3.42Å; D645-R647 PolarHBondContact OD1-NE 3.36Å; D645-R647 IonicContact OD1-NH2 3.63Å; D645-R647 IonicContact OD2-NE 3.31Å; D645-R647 IonicContact OD2-NH2 3.91Å; R647-N652 WeakPolarHBondContact CD-OD1 3.06Å; R647-N652 PolarHBondContact NH1-ND2 2.89Å; R647-N652 PolarHBondContact NH1-O 2.68Å; R647-E653 CarbonylContact C-O 3.58Å; R647-E653 WeakPolarHBondContact CA-O 3.45Å
648	G	92.1	Very high	89.9	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	137.2	171.4	0	0	0	0	0	110.8	E650 N652 E653	G648-E650 PolarHBondContact O-N 2.81Å; G648-N652 WeakPolarHBondContact O-CA 3.37Å; G648-N652 PolarHBondContact O-N 2.68Å; G648-E653 PolarHBondContact N-O 3.01Å
649	E	91.4	Very high	89.5	Confident	88 Å²	88	41 Å²	41	41%	0.411	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-41.9	-176.6	-176.2	176.8	-140.9	0	0	112.8	N601	N601-E649 HydrophobicContact CB-CB 3.91Å; N601-E649 WeakPolarHBondContact CB-OE2 3.33Å; N601-E649 PolarHBondContact ND2-OE2 3.41Å; N601-E649 PolarHBondContact O-N 3.01Å
650	E	87.3	Confident	89.6	Confident	181 Å²	181	40.8 Å²	40.8	85%	0.846	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-48.3	-173.6	-64	-175.7	165.1	0	0	113.1	G648	G648-E650 PolarHBondContact O-N 2.81Å
651	N	84.7	Confident	89.6	Confident	120 Å²	120	43.7 Å²	43.7	64%	0.642	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-2.6	-170.4	-63.7	-27.3	0	0	0	113.4	E653	N651-E653 HydrophobicContact CB-CB 4.49Å; N651-E653 PolarHBondContact O-N 2.83Å
652	N	85.9	Confident	89.6	Confident	90 Å²	90	43.3 Å²	43.3	48%	0.481	22%	0.222	S	C	.	.			trans	53.3	24.5	-174.3	-158.4	41.9	0	0	0	113.7	R647 G648	R647-N652 WeakPolarHBondContact CD-OD1 3.06Å; R647-N652 PolarHBondContact NH1-ND2 2.89Å; R647-N652 PolarHBondContact NH1-O 2.68Å; G648-N652 WeakPolarHBondContact O-CA 3.37Å; G648-N652 PolarHBondContact O-N 2.68Å
653	E	88.8	Confident	89.5	Confident	43 Å²	43	44.9 Å²	44.9	20%	0.201	23%	0.229	C	C	.	.			trans	-70.2	136.9	-179.9	68.4	-177.9	157.3	0	0	110	K592 F598 R647 G648 N651 L655	K592-E653 WeakPolarHBondContact CE-OE1 3.41Å; K592-E653 WeakPolarHBondContact CE-OE2 3.24Å; K592-E653 IonicContact NZ-OE1 3.5Å; K592-E653 PolarHBondContact NZ-OE1 2.95Å; K592-E653 IonicContact NZ-OE2 2.74Å; K592-E653 PolarHBondContact NZ-OE2 3.12Å; F598-E653 WeakPolarHBondContact CE2-OE1 3.35Å; R647-E653 CarbonylContact C-O 3.58Å; R647-E653 WeakPolarHBondContact CA-O 3.45Å; G648-E653 PolarHBondContact N-O 3.01Å; N651-E653 HydrophobicContact CB-CB 4.49Å; N651-E653 PolarHBondContact O-N 2.83Å; E653-L655 HydrophobicContact CG-CD2 4.1Å
654	P	89.7	Confident	89.3	Confident	73 Å²	73	43.9 Å²	43.9	47%	0.474	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-68.9	135.5	178.1	28.9	-33.7	0	0	0	110.9
655	L	90.9	Very high	89	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.			trans	-117.3	141.8	-178.2	-61	176.2	0	0	0	111.1	F590 K592 F598 V602 F646 E653 R722	F590-L655 HydrophobicContact CD1-CB 4.45Å; K592-L655 HydrophobicContact CG-CD2 4.22Å; F598-L655 HydrophobicContact CB-CD2 3.94Å; F598-L655 HydrophobicContact CD1-CD1 3.56Å; F598-L655 HydrophobicContact CD1-CD2 4.36Å; F598-L655 HydrophobicContact CD2-CD1 4.23Å; F598-L655 HydrophobicContact CD2-CD2 3.76Å; F598-L655 HydrophobicContact CE1-CD1 3.72Å; F598-L655 HydrophobicContact CE2-CD1 4.36Å; F598-L655 HydrophobicContact CE2-CD2 4.37Å; F598-L655 HydrophobicContact CG-CD1 3.84Å; F598-L655 HydrophobicContact CG-CD2 3.74Å; F598-L655 HydrophobicContact CG-CG 4.47Å; F598-L655 HydrophobicContact CZ-CD1 4.12Å; V602-L655 HydrophobicContact CB-CD1 4.42Å; V602-L655 HydrophobicContact CG1-CD1 4.06Å; V602-L655 HydrophobicContact CG2-CD1 3.7Å; F646-L655 HydrophobicContact CB-CB 4.23Å; F646-L655 PolarHBondContact O-N 3.41Å; E653-L655 HydrophobicContact CG-CD2 4.1Å; L655-R722 VanDerWaalsContact O-CZ 3.28Å; L655-R722 PolarHBondContact O-NH1 3.4Å; L655-R722 PolarHBondContact O-NH2 2.82Å
656	N	89.8	Confident	88.6	Confident	21 Å²	21	43.1 Å²	43.1	11%	0.112	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	163.8	169.7	-65.5	-31	0	0	0	109.9	F590 Y591 I718 R719 R722	F590-N656 WeakPolarHBondContact CA-O 3.48Å; Y591-N656 HydrophobicContact CD1-CB 4.14Å; Y591-N656 HydrophobicContact CD2-CB 3.7Å; Y591-N656 HydrophobicContact CE1-CB 3.76Å; Y591-N656 HydrophobicContact CE2-CB 3.25Å; Y591-N656 WeakPolarHBondContact CE2-ND2 3.46Å; Y591-N656 HydrophobicContact CG-CB 4.11Å; Y591-N656 PolarHBondContact N-O 3.48Å; Y591-N656 PolarHBondContact O-N 3.28Å; N656-I718 CarbonylContact C-O 3.45Å; N656-I718 WeakPolarHBondContact CA-O 3.29Å; N656-I718 VanDerWaalsContact CB-O 3.26Å; N656-I718 WeakPolarHBondContact CB-O 3.39Å; N656-R719 WeakPolarHBondContact OD1-CA 3.28Å; N656-R719 PolarHBondContact OD1-O 2.84Å; N656-R722 PolarHBondContact OD1-NH2 3.03Å
657	A	86.9	Confident	88	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	128.8	177.1	0	0	0	0	0	111.1	S589 F590 F646 V660 E717 I718	S589-A657 CarbonylContact O-C 3.52Å; S589-A657 WeakPolarHBondContact O-CA 3.21Å; F590-A657 HydrophobicContact CD1-CB 4.19Å; F590-A657 HydrophobicContact CE1-CB 4.23Å; F646-A657 HydrophobicContact CD2-CB 4.21Å; F646-A657 HydrophobicContact CE2-CB 3.95Å; A657-V660 HydrophobicContact CB-CG2 3.75Å; A657-E717 VanDerWaalsContact O-CG 3.32Å; A657-E717 WeakPolarHBondContact O-CG 3.23Å; A657-I718 HydrophobicContact CB-CB 4.18Å; A657-I718 PolarHBondContact N-O 3.25Å; A657-I718 PolarHBondContact O-N 2.88Å
658	G	80.6	Confident	87.4	Confident	21 Å²	21	44.4 Å²	44.4	22%	0.216	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-87.9	-174.6	0	0	0	0	0	112.5	S589 M716 E717	S589-G658 PolarHBondContact O-N 3.16Å; G658-M716 VanDerWaalsContact O-O 3.06Å; G658-E717 VanDerWaalsContact O-CA 3.28Å; G658-E717 WeakPolarHBondContact O-CA 3.49Å; G658-E717 WeakPolarHBondContact O-CB 3.29Å; G658-E717 WeakPolarHBondContact O-CG 3.06Å
659	E	83.3	Confident	86.8	Confident	92 Å²	92	44.8 Å²	44.8	43%	0.43	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.2	175.4	-169	-176.3	171.8	0	0	109.7	P586 S589 K661	P586-E659 WeakPolarHBondContact CD-O 3.46Å; P586-E659 HydrophobicContact CG-CB 4.37Å; P586-E659 HydrophobicContact CG-CG 4.26Å; S589-E659 PolarHBondContact OG-O 3.27Å; E659-K661 WeakPolarHBondContact OE1-CE 3.38Å; E659-K661 IonicContact OE1-NZ 2.82Å; E659-K661 PolarHBondContact OE1-NZ 3.17Å
660	V	89.9	Confident	86	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.7	171.2	178.4	0	0	0	0	109	I583 I585 A657 V662 N715 M716 I718	I583-V660 HydrophobicContact CG2-CG1 3.43Å; I583-V660 VanDerWaalsContact CG2-CG1 3.43Å; I585-V660 HydrophobicContact CG1-CG1 4.3Å; I585-V660 HydrophobicContact CG1-CG2 4.38Å; A657-V660 HydrophobicContact CB-CG2 3.75Å; V660-V662 HydrophobicContact CG1-CG2 4.47Å; V660-N715 CarbonylContact O-C 3.41Å; V660-N715 WeakPolarHBondContact O-CA 3.46Å; V660-M716 HydrophobicContact CB-CG 3.65Å; V660-M716 HydrophobicContact CB-SD 4.47Å; V660-M716 HydrophobicContact CG1-CG 3.91Å; V660-M716 HydrophobicContact CG1-SD 4.13Å; V660-M716 PolarHBondContact N-O 2.76Å; V660-M716 PolarHBondContact O-N 3.47Å; V660-I718 HydrophobicContact CG1-CD1 4.5Å; V660-I718 HydrophobicContact CG2-CD1 4.09Å; V660-I718 HydrophobicContact CG2-CG1 4.28Å
661	K	91.4	Very high	85.5	Confident	61 Å²	61	40.2 Å²	40.2	27%	0.265	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.6	180	-67.9	-179.2	173.7	144.5	0	110.3	I583 Q584 E659 F663 G714 N715	I583-K661 CarbonylContact C-O 3.53Å; I583-K661 WeakPolarHBondContact CA-O 3.45Å; Q584-K661 HydrophobicContact CB-CB 4.23Å; Q584-K661 PolarHBondContact N-O 3.36Å; Q584-K661 PolarHBondContact O-N 2.83Å; E659-K661 WeakPolarHBondContact OE1-CE 3.38Å; E659-K661 IonicContact OE1-NZ 2.82Å; E659-K661 PolarHBondContact OE1-NZ 3.17Å; K661-F663 HydrophobicContact CB-CE2 3.71Å; K661-F663 HydrophobicContact CB-CZ 4.22Å; K661-G714 WeakPolarHBondContact CA-O 3.19Å; K661-N715 WeakPolarHBondContact CG-OD1 3.35Å
662	V	92.4	Very high	85.1	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.5	178.4	177.4	0	0	0	0	110.3	V581 Q582 I583 V660 I713 G714 M716 L726	V581-V662 HydrophobicContact CG1-CG1 3.57Å; Q582-V662 WeakPolarHBondContact O-CA 3.16Å; I583-V662 HydrophobicContact CG1-CG2 4.09Å; I583-V662 HydrophobicContact CG2-CG2 4.5Å; V660-V662 HydrophobicContact CG1-CG2 4.47Å; V662-I713 WeakPolarHBondContact O-CA 3.15Å; V662-G714 PolarHBondContact N-O 2.97Å; V662-G714 PolarHBondContact O-N 2.85Å; V662-M716 HydrophobicContact CB-CE 3.96Å; V662-M716 HydrophobicContact CG2-CE 3.18Å; V662-M716 HydrophobicContact CG2-CG 4.42Å; V662-M716 HydrophobicContact CG2-SD 3.75Å; V662-L726 HydrophobicContact CG1-CD2 4.19Å
663	F	91.3	Very high	84.9	Confident	35 Å²	35	39.5 Å²	39.5	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	112.1	-178.5	-59.1	-100.8	0	0	0	108.5	V581 Q582 Q584 K661 F711 L712 I713	V581-F663 CarbonylContact C-O 3.54Å; V581-F663 VanDerWaalsContact CA-O 3.29Å; V581-F663 WeakPolarHBondContact CA-O 3.5Å; Q582-F663 HydrophobicContact CB-CB 4.16Å; Q582-F663 PolarHBondContact N-O 2.68Å; Q582-F663 PolarHBondContact O-N 3.4Å; Q584-F663 HydrophobicContact CB-CD2 4.43Å; Q584-F663 HydrophobicContact CB-CE2 3.73Å; K661-F663 HydrophobicContact CB-CE2 3.71Å; K661-F663 HydrophobicContact CB-CZ 4.22Å; F663-F711 HydrophobicContact CB-CB 4.28Å; F663-F711 HydrophobicContact CB-CD1 3.9Å; F663-F711 HydrophobicContact CB-CG 4.23Å; F663-F711 HydrophobicContact CD1-CB 4.17Å; F663-F711 HydrophobicContact CD1-CG 4.42Å; F663-L712 CarbonylContact C-O 3.56Å; F663-L712 WeakPolarHBondContact CA-O 3.47Å; F663-I713 HydrophobicContact CD1-CD1 3.9Å; F663-I713 HydrophobicContact CD1-CG1 3.69Å; F663-I713 HydrophobicContact CE1-CD1 3.51Å; F663-I713 HydrophobicContact CE1-CG1 3.79Å; F663-I713 HydrophobicContact CE1-CG2 4.24Å; F663-I713 HydrophobicContact CZ-CD1 4.48Å; F663-I713 HydrophobicContact CZ-CG2 4.49Å
664	L	89.8	Confident	84.8	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.5	172.3	170.6	66.4	0	0	0	109.1	M580 V581 S666 V669 M678 L696 F711 L712 L726	M580-L664 HydrophobicContact CE-CD1 4.47Å; M580-L664 HydrophobicContact CG-CD1 4.13Å; V581-L664 HydrophobicContact CG2-CD1 3.87Å; L664-S666 PolarHBondContact O-N 2.84Å; L664-V669 HydrophobicContact CD2-CG2 4.04Å; L664-M678 HydrophobicContact CD2-CE 3.7Å; L664-M678 HydrophobicContact CD2-CG 4.14Å; L664-M678 HydrophobicContact CD2-SD 4.06Å; L664-L696 HydrophobicContact CB-CD2 4.39Å; L664-F711 CarbonylContact O-C 3.46Å; L664-F711 WeakPolarHBondContact O-CA 3.36Å; L664-L712 HydrophobicContact CB-CB 4.22Å; L664-L712 HydrophobicContact CD2-CD1 4.04Å; L664-L712 PolarHBondContact N-O 2.83Å; L664-L712 PolarHBondContact O-N 2.8Å; L664-L726 HydrophobicContact CD1-CD1 4.35Å
665	D	86.6	Confident	84.5	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.011	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	117.3	176.1	-172.9	-14.3	0	0	0	110.6	M580 A667 Q668 F711	M580-D665 PolarHBondContact O-N 2.87Å; D665-A667 PolarHBondContact O-N 2.79Å; D665-A667 WeakPolarHBondContact OD1-CB 3.38Å; D665-A667 PolarHBondContact OD1-N 2.85Å; D665-Q668 HydrophobicContact CB-CG 3.94Å; D665-Q668 WeakPolarHBondContact O-CB 3.23Å; D665-Q668 PolarHBondContact O-N 3.03Å; D665-Q668 VanDerWaalsContact O-N 3.12Å; D665-F711 HydrophobicContact CB-CD1 4.35Å; D665-F711 HydrophobicContact CB-CE1 4.1Å
666	S	83.4	Confident	84.2	Confident	15 Å²	15	41 Å²	41	11%	0.105	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-64.5	-22.8	-178.5	67.7	0	0	0	0	113.3	L664 Q668 V669 T710	L664-S666 PolarHBondContact O-N 2.84Å; S666-Q668 PolarHBondContact O-N 2.92Å; S666-V669 PolarHBondContact O-N 3.47Å; S666-V669 VanDerWaalsContact O-N 3.07Å; S666-T710 WeakPolarHBondContact CB-O 3.13Å; S666-T710 PolarHBondContact N-O 2.85Å; S666-T710 PolarHBondContact OG-O 2.9Å; S666-T710 PolarHBondContact OG-OG1 2.86Å
667	A	80.1	Confident	84.2	Confident	53 Å²	53	43.9 Å²	43.9	44%	0.438	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-66.3	-19.3	176.4	0	0	0	0	0	113.1	D665 K670	D665-A667 PolarHBondContact O-N 2.79Å; D665-A667 WeakPolarHBondContact OD1-CB 3.38Å; D665-A667 PolarHBondContact OD1-N 2.85Å; A667-K670 PolarHBondContact O-NZ 2.91Å
668	Q	79.1	Confident	84.4	Confident	35 Å²	35	44 Å²	44	16%	0.164	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-83.2	-16.6	176.6	-52.3	-61.6	-35.5	0	0	112	M580 D665 S666 K670	M580-Q668 HydrophobicContact CE-CB 4Å; M580-Q668 HydrophobicContact CG-CB 4.19Å; M580-Q668 HydrophobicContact CG-CG 4.04Å; D665-Q668 HydrophobicContact CB-CG 3.94Å; D665-Q668 WeakPolarHBondContact O-CB 3.23Å; D665-Q668 PolarHBondContact O-N 3.03Å; D665-Q668 VanDerWaalsContact O-N 3.12Å; S666-Q668 PolarHBondContact O-N 2.92Å; Q668-K670 PolarHBondContact O-N 2.96Å
669	V	79.8	Confident	85	Confident	9 Å²	9	45.8 Å²	45.8	6%	0.055	25%	0.247	C	C	.	.			trans	-92.4	93.2	176.3	-175.5	0	0	0	0	109	Y639 L664 S666 M671 H674 L675 M678 L712	Y639-V669 HydrophobicContact CD1-CG2 4.32Å; Y639-V669 HydrophobicContact CE1-CB 4.45Å; Y639-V669 HydrophobicContact CE1-CG1 4.23Å; Y639-V669 HydrophobicContact CE1-CG2 4.38Å; L664-V669 HydrophobicContact CD2-CG2 4.04Å; S666-V669 PolarHBondContact O-N 3.47Å; S666-V669 VanDerWaalsContact O-N 3.07Å; V669-M671 VanDerWaalsContact C-N 3.35Å; V669-M671 PolarHBondContact O-N 2.86Å; V669-H674 HydrophobicContact CG1-CB 3.66Å; V669-L675 HydrophobicContact CB-CD2 3.7Å; V669-L675 HydrophobicContact CB-CG 4.41Å; V669-L675 HydrophobicContact CG1-CD2 3.89Å; V669-L675 HydrophobicContact CG1-CG 4.14Å; V669-L675 HydrophobicContact CG2-CD2 4.2Å; V669-M678 HydrophobicContact CG1-CE 4.39Å; V669-M678 HydrophobicContact CG2-CE 3.84Å; V669-L712 HydrophobicContact CG2-CD1 4.46Å
670	K	73.4	Confident	85.4	Confident	148 Å²	148	41.5 Å²	41.5	64%	0.643	23%	0.227	S	C	*	.			trans	-71.5	-26.2	-174.8	-60.6	-54.4	-176.2	-163	0	114.5	A667 Q668	A667-K670 PolarHBondContact O-NZ 2.91Å; Q668-K670 PolarHBondContact O-N 2.96Å
671	M	77.4	Confident	85.6	Confident	26 Å²	26	41.6 Å²	41.6	13%	0.128	23%	0.227	C	C	.	.			trans	-89.2	113.4	177.8	-72.9	-175.2	-90.4	0	0	109.8	V669 E673 H674	V669-M671 VanDerWaalsContact C-N 3.35Å; V669-M671 PolarHBondContact O-N 2.86Å; M671-E673 VanDerWaalsContact C-N 3.27Å; M671-E673 HydrophobicContact CB-CG 4.5Å; M671-E673 PolarHBondContact O-N 3.05Å; M671-H674 HydrophobicContact CB-CB 4.25Å; M671-H674 WeakPolarHBondContact CE-CE1 3.28Å; M671-H674 WeakPolarHBondContact O-CB 3.45Å; M671-H674 PolarHBondContact O-N 3.47Å; M671-H674 PolarHBondContact SD-CE1 2.87Å
672	S	77.3	Confident	85.7	Confident	101 Å²	101	38.7 Å²	38.7	71%	0.706	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-34.2	-174.6	50.9	0	0	0	0	113.3	H674 L675	S672-H674 PolarHBondContact O-N 2.84Å; S672-L675 WeakPolarHBondContact O-CB 3.32Å; S672-L675 PolarHBondContact O-N 3.4Å
673	E	80.6	Confident	85.7	Confident	93 Å²	93	38.9 Å²	38.9	44%	0.435	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.2	176.2	66.5	-164	149.3	0	0	113.5	M671 S676 N677 R732	M671-E673 VanDerWaalsContact C-N 3.27Å; M671-E673 HydrophobicContact CB-CG 4.5Å; M671-E673 PolarHBondContact O-N 3.05Å; E673-S676 PolarHBondContact O-OG 2.78Å; E673-N677 PolarHBondContact O-ND2 3.02Å; E673-R732 IonicContact OE1-CZ 3.93Å; E673-R732 IonicContact OE1-NH1 3.99Å; E673-R732 PolarHBondContact OE1-NH1 2.88Å; E673-R732 IonicContact OE1-NH2 3.46Å; E673-R732 PolarHBondContact OE1-NH2 3.09Å
674	H	86.3	Confident	85.6	Confident	3 Å²	3	38 Å²	38	1%	0.014	21%	0.212	C	C	.	.	H	α-helix	trans	-79.6	-21	179	-70.6	179.3	0	0	0	113	R637 Y639 V669 M671 S672 S676 N677 M678 V728 E730	R637-H674 WeakPolarHBondContact CD-CE1 3.39Å; Y639-H674 HydrophobicContact CE2-CB 4.34Å; Y639-H674 AromaticContact CE2-ND1 3.69Å; Y639-H674 AromaticContact CZ-ND1 3.63Å; Y639-H674 PolarHBondContact OH-ND1 2.86Å; V669-H674 HydrophobicContact CG1-CB 3.66Å; M671-H674 HydrophobicContact CB-CB 4.25Å; M671-H674 WeakPolarHBondContact CE-CE1 3.28Å; M671-H674 WeakPolarHBondContact O-CB 3.45Å; M671-H674 PolarHBondContact O-N 3.47Å; M671-H674 PolarHBondContact SD-CE1 2.87Å; S672-H674 PolarHBondContact O-N 2.84Å; H674-S676 VanDerWaalsContact C-N 3.3Å; H674-S676 PolarHBondContact O-N 3.21Å; H674-N677 PolarHBondContact O-N 2.87Å; H674-M678 PolarHBondContact O-N 2.98Å; H674-M678 VanDerWaalsContact O-N 3.14Å; H674-V728 HydrophobicContact CB-CG1 4.48Å; H674-V728 HydrophobicContact CB-CG2 3.9Å; H674-E730 IonicContact CE1-OE2 3.03Å; H674-E730 IonicContact NE2-OE2 3.39Å; H674-E730 PolarHBondContact NE2-OE2 3.31Å
675	L	84.9	Confident	85.6	Confident	51 Å²	51	40.7 Å²	40.7	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-63.4	-34	179.8	-69.1	171.3	0	0	0	112.8	V669 S672 L712	V669-L675 HydrophobicContact CB-CD2 3.7Å; V669-L675 HydrophobicContact CB-CG 4.41Å; V669-L675 HydrophobicContact CG1-CD2 3.89Å; V669-L675 HydrophobicContact CG1-CG 4.14Å; V669-L675 HydrophobicContact CG2-CD2 4.2Å; S672-L675 WeakPolarHBondContact O-CB 3.32Å; S672-L675 PolarHBondContact O-N 3.4Å; L675-L712 HydrophobicContact CD2-CD1 4Å
676	S	84.9	Confident	85.7	Confident	94 Å²	94	45.4 Å²	45.4	66%	0.657	25%	0.252	S	S	*	.	H	α-helix	trans	-86.2	-21.6	179.4	58.1	0	0	0	0	113.7	E673 H674	E673-S676 PolarHBondContact O-OG 2.78Å; H674-S676 VanDerWaalsContact C-N 3.3Å; H674-S676 PolarHBondContact O-N 3.21Å
677	N	88.8	Confident	85.9	Confident	81 Å²	81	45.6 Å²	45.6	43%	0.433	25%	0.252	S	S	.	.	H	α-helix	trans	-104.7	2	-172.2	-61.8	-10	0	0	0	112.7	E673 H674 K679 V728	E673-N677 PolarHBondContact O-ND2 3.02Å; H674-N677 PolarHBondContact O-N 2.87Å; N677-K679 PolarHBondContact O-N 2.79Å; N677-V728 HydrophobicContact CB-CG1 3.71Å
678	M	90.6	Very high	86.5	Confident	3 Å²	3	43 Å²	43	2%	0.015	23%	0.231	C	C	.	.			trans	-64.8	128	-179.6	-171.3	69.3	66.1	0	0	111.4	Y639 L664 V669 H674 L696 L712 V728	Y639-M678 HydrophobicContact CD2-CE 3.47Å; Y639-M678 VanDerWaalsContact CD2-CE 3.47Å; Y639-M678 HydrophobicContact CD2-SD 4.23Å; Y639-M678 HydrophobicContact CE2-CE 3.9Å; Y639-M678 HydrophobicContact CG-CE 3.93Å; L664-M678 HydrophobicContact CD2-CE 3.7Å; L664-M678 HydrophobicContact CD2-CG 4.14Å; L664-M678 HydrophobicContact CD2-SD 4.06Å; V669-M678 HydrophobicContact CG1-CE 4.39Å; V669-M678 HydrophobicContact CG2-CE 3.84Å; H674-M678 PolarHBondContact O-N 2.98Å; H674-M678 VanDerWaalsContact O-N 3.14Å; M678-L696 HydrophobicContact CB-CB 4.31Å; M678-L696 HydrophobicContact CG-CB 4.11Å; M678-L696 HydrophobicContact CG-CD1 3.61Å; M678-L696 HydrophobicContact CG-CG 4.37Å; M678-L696 PolarHBondContact O-N 3.19Å; M678-L696 VanDerWaalsContact O-N 3.15Å; M678-L712 HydrophobicContact CB-CD1 4.09Å; M678-L712 HydrophobicContact CG-CD1 4.16Å; M678-V728 HydrophobicContact CB-CG2 4.28Å; M678-V728 HydrophobicContact CE-CG2 3.76Å; M678-V728 HydrophobicContact SD-CG2 3.79Å
679	K	92.9	Very high	87.1	Confident	58 Å²	58	42 Å²	42	25%	0.252	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	159.2	179.7	-68.2	-177.5	176.9	-144.4	0	110.6	N677 W681 E692 D727	N677-K679 PolarHBondContact O-N 2.79Å; K679-W681 HydrophobicContact CB-CZ2 3.84Å; K679-W681 HydrophobicContact CD-CH2 4.31Å; K679-W681 HydrophobicContact CD-CZ2 3.79Å; K679-W681 HydrophobicContact CG-CZ2 4.42Å; K679-W681 VanDerWaalsContact O-CD1 3.25Å; K679-W681 PolarHBondContact O-NE1 3.21Å; K679-E692 HydrophobicContact CD-CG 4.3Å; K679-E692 IonicContact NZ-OE1 3.8Å; K679-E692 PolarHBondContact NZ-OE1 3.44Å; K679-E692 IonicContact NZ-OE2 3.96Å; K679-E692 PolarHBondContact NZ-OE2 3.2Å; K679-D727 PolarHBondContact N-O 3.25Å; K679-D727 PolarHBondContact O-N 2.77Å
680	L	92.9	Very high	87.8	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	135.3	172	-178.2	76.4	0	0	0	109.4	E693 G694 L696 M716 L726	L680-E693 HydrophobicContact CD2-CB 3.88Å; L680-E693 HydrophobicContact CG-CB 4.19Å; L680-E693 PolarHBondContact O-N 2.81Å; L680-G694 PolarHBondContact N-O 3.46Å; L680-G694 PolarHBondContact O-N 2.84Å; L680-L696 HydrophobicContact CB-CD1 4.25Å; L680-M716 HydrophobicContact CD1-CE 3.29Å; L680-M716 HydrophobicContact CD2-CB 3.35Å; L680-M716 HydrophobicContact CD2-CE 3.27Å; L680-M716 HydrophobicContact CD2-CG 4.39Å; L680-M716 HydrophobicContact CD2-SD 4.49Å; L680-M716 HydrophobicContact CG-CE 3.85Å; L680-L726 HydrophobicContact CD1-CD2 3.71Å
681	W	93.7	Very high	88.6	Confident	1 Å²	1	35.5 Å²	35.5	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150	-175.8	-51.6	80.8	0	0	0	111.2	F626 L636 K679 W690 E691 E692 F724 N725 D727 P729	F626-W681 HydrophobicContact CB-CE3 4.45Å; F626-W681 HydrophobicContact CB-CZ3 3.86Å; F626-W681 HydrophobicContact CD1-CH2 4.26Å; F626-W681 HydrophobicContact CD1-CZ3 4.43Å; F626-W681 AromaticContact CD2-CH2 3.79Å; F626-W681 HydrophobicContact CD2-CH2 3.79Å; F626-W681 AromaticContact CD2-CZ3 3.74Å; F626-W681 HydrophobicContact CD2-CZ3 3.74Å; F626-W681 HydrophobicContact CE1-CH2 4.42Å; F626-W681 AromaticContact CE2-CH2 3.98Å; F626-W681 HydrophobicContact CE2-CH2 3.98Å; F626-W681 HydrophobicContact CE2-CZ3 4.39Å; F626-W681 AromaticContact CG-CH2 3.94Å; F626-W681 HydrophobicContact CG-CH2 3.94Å; F626-W681 AromaticContact CG-CZ3 3.76Å; F626-W681 HydrophobicContact CG-CZ3 3.76Å; F626-W681 HydrophobicContact CZ-CH2 4.29Å; L636-W681 HydrophobicContact CD1-CD2 3.87Å; L636-W681 HydrophobicContact CD1-CE3 4.1Å; L636-W681 HydrophobicContact CD1-CG 4.14Å; L636-W681 HydrophobicContact CD2-CD2 4.21Å; L636-W681 HydrophobicContact CD2-CE3 4.48Å; L636-W681 HydrophobicContact CD2-CH2 3.8Å; L636-W681 HydrophobicContact CD2-CZ2 3.45Å; L636-W681 VanDerWaalsContact CD2-CZ2 3.45Å; L636-W681 HydrophobicContact CD2-CZ3 4.3Å; K679-W681 HydrophobicContact CB-CZ2 3.84Å; K679-W681 HydrophobicContact CD-CH2 4.31Å; K679-W681 HydrophobicContact CD-CZ2 3.79Å; K679-W681 HydrophobicContact CG-CZ2 4.42Å; K679-W681 VanDerWaalsContact O-CD1 3.25Å; K679-W681 PolarHBondContact O-NE1 3.21Å; W681-W690 HydrophobicContact CB-CB 4.27Å; W681-W690 HydrophobicContact CB-CD2 4.45Å; W681-W690 HydrophobicContact CB-CE3 3.75Å; W681-W690 HydrophobicContact CE3-CB 4.17Å; W681-E691 CarbonylContact C-O 3.56Å; W681-E691 VanDerWaalsContact CA-O 3.25Å; W681-E691 WeakPolarHBondContact CA-O 3.37Å; W681-E692 HydrophobicContact CE3-CB 4.14Å; W681-E692 HydrophobicContact CH2-CB 4.46Å; W681-E692 HydrophobicContact CZ3-CB 3.97Å; W681-F724 CarbonylContact O-C 3.45Å; W681-F724 WeakPolarHBondContact O-CA 3.28Å; W681-N725 HydrophobicContact CB-CB 4.32Å; W681-N725 PolarHBondContact N-O 3.26Å; W681-N725 PolarHBondContact O-N 2.91Å; W681-D727 HydrophobicContact CG-CB 4.47Å; W681-D727 PolarHBondContact NE1-O 3.14Å; W681-P729 HydrophobicContact CH2-CG 4.2Å; W681-P729 HydrophobicContact CZ2-CG 3.86Å
682	S	92.8	Very high	89.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.7	167	68.1	0	0	0	0	110.8	W690 E691 E693 R721 L723	S682-W690 VanDerWaalsContact C-CE3 3.49Å; S682-E691 PolarHBondContact N-O 3.44Å; S682-E691 PolarHBondContact O-N 2.98Å; S682-E693 VanDerWaalsContact CB-OE1 3.26Å; S682-E693 WeakPolarHBondContact CB-OE1 3.31Å; S682-E693 WeakPolarHBondContact OG-CG 3.45Å; S682-E693 PolarHBondContact OG-OE1 3.34Å; S682-R721 WeakPolarHBondContact OG-CD 3.43Å; S682-R721 PolarHBondContact OG-NH1 3.33Å; S682-L723 WeakPolarHBondContact CA-O 3.04Å
683	L	92.6	Very high	89.6	Confident	5 Å²	5	35.4 Å²	35.4	3%	0.026	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.7	179	-177.3	60.1	0	0	0	110.7	T534 P685 W690 L723	T534-L683 HydrophobicContact CG2-CD2 4.43Å; L683-P685 WeakPolarHBondContact O-CD 3.41Å; L683-W690 HydrophobicContact CB-CD2 4.32Å; L683-W690 HydrophobicContact CB-CE3 3.99Å; L683-W690 HydrophobicContact CB-CH2 3.7Å; L683-W690 HydrophobicContact CB-CZ2 4.01Å; L683-W690 HydrophobicContact CB-CZ3 3.67Å; L683-W690 HydrophobicContact CD1-CD2 4.18Å; L683-W690 HydrophobicContact CD1-CG 4.48Å; L683-W690 HydrophobicContact CD1-CZ2 4.13Å; L683-W690 HydrophobicContact CD2-CH2 4.47Å; L683-W690 HydrophobicContact CD2-CZ2 4.23Å; L683-W690 HydrophobicContact CG-CZ2 4.35Å; L683-L723 HydrophobicContact CB-CB 4.15Å; L683-L723 HydrophobicContact CD2-CD1 3.98Å; L683-L723 PolarHBondContact N-O 2.8Å; L683-L723 VanDerWaalsContact N-O 3.14Å
684	N	90.4	Very high	89.8	Confident	16 Å²	16	31.8 Å²	31.8	9%	0.086	17%	0.174	C	C	.	.			trans	-84.1	113.1	164.6	-175.6	-28.7	0	0	0	109.2	E686 T687 G688 L689 E691	N684-E686 VanDerWaalsContact C-N 3.27Å; N684-E686 PolarHBondContact O-N 2.87Å; N684-E686 PolarHBondContact OD1-N 2.86Å; N684-T687 WeakPolarHBondContact CB-OG1 3.44Å; N684-T687 PolarHBondContact OD1-N 2.9Å; N684-G688 WeakPolarHBondContact O-CA 3.2Å; N684-G688 PolarHBondContact O-N 2.8Å; N684-L689 WeakPolarHBondContact CB-O 3.34Å; N684-L689 PolarHBondContact N-O 3.12Å; N684-E691 WeakPolarHBondContact CB-OE1 3.32Å; N684-E691 PolarHBondContact ND2-OE1 2.96Å
685	P	89.8	Confident	89.7	Confident	58 Å²	58	34.6 Å²	34.6	38%	0.377	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.9	-175.9	30.3	-35.5	0	0	0	113.8	V520 L683	V520-P685 WeakPolarHBondContact CG1-O 3.28Å; L683-P685 WeakPolarHBondContact O-CD 3.41Å
686	E	87.5	Confident	89.8	Confident	101 Å²	101	32.6 Å²	32.6	47%	0.472	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-47.6	179.8	-61.8	-179.8	174.2	0	0	111.2	N684	N684-E686 VanDerWaalsContact C-N 3.27Å; N684-E686 PolarHBondContact O-N 2.87Å; N684-E686 PolarHBondContact OD1-N 2.86Å
687	T	88.6	Confident	89.8	Confident	18 Å²	18	34.8 Å²	34.8	11%	0.11	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-17.5	178.9	64.6	0	0	0	0	112.7	H295 R518 V520 N684 L689	H295-T687 HydrophobicContact CB-CG2 3.9Å; R518-T687 PolarHBondContact NE-O 2.94Å; V520-T687 WeakPolarHBondContact CG2-O 3.14Å; N684-T687 WeakPolarHBondContact CB-OG1 3.44Å; N684-T687 PolarHBondContact OD1-N 2.9Å; T687-L689 PolarHBondContact O-N 2.87Å; T687-L689 PolarHBondContact OG1-N 2.82Å
688	G	91.4	Very high	89.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.			trans	63.6	20.7	-172.4	0	0	0	0	0	112.5	R518 S622 N684	R518-G688 PolarHBondContact NH2-O 3.03Å; S622-G688 WeakPolarHBondContact CB-O 3.35Å; S622-G688 PolarHBondContact OG-O 2.63Å; N684-G688 WeakPolarHBondContact O-CA 3.2Å; N684-G688 PolarHBondContact O-N 2.8Å
689	L	92.6	Very high	88.5	Confident	13 Å²	13	37.4 Å²	37.4	7%	0.068	20%	0.197	C	C	.	.			trans	-104.4	149.8	179.8	-66.6	167.1	0	0	0	110.9	N625 I627 M633 N684 T687	N625-L689 HydrophobicContact CB-CD2 4.06Å; N625-L689 WeakPolarHBondContact O-CD2 3.43Å; I627-L689 HydrophobicContact CD1-CD1 3.61Å; I627-L689 HydrophobicContact CG1-CD1 3.89Å; M633-L689 HydrophobicContact CE-CD2 4.21Å; N684-L689 WeakPolarHBondContact CB-O 3.34Å; N684-L689 PolarHBondContact N-O 3.12Å; T687-L689 PolarHBondContact O-N 2.87Å; T687-L689 PolarHBondContact OG1-N 2.82Å
690	W	93.6	Very high	86.8	Confident	3 Å²	3	43.1 Å²	43.1	1%	0.011	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	134.6	173.5	-68.4	91	0	0	0	110.5	N625 F626 L636 M641 W681 S682 L683 N725	N625-W690 PolarHBondContact O-N 3.29Å; F626-W690 HydrophobicContact CB-CB 4.46Å; F626-W690 WeakPolarHBondContact CB-O 3.3Å; L636-W690 HydrophobicContact CD1-CB 3.48Å; L636-W690 VanDerWaalsContact CD1-CB 3.48Å; L636-W690 HydrophobicContact CD1-CG 3.73Å; M641-W690 HydrophobicContact CE-CH2 3.53Å; M641-W690 HydrophobicContact CE-CZ2 3.19Å; W681-W690 HydrophobicContact CB-CB 4.27Å; W681-W690 HydrophobicContact CB-CD2 4.45Å; W681-W690 HydrophobicContact CB-CE3 3.75Å; W681-W690 HydrophobicContact CE3-CB 4.17Å; S682-W690 VanDerWaalsContact C-CE3 3.49Å; L683-W690 HydrophobicContact CB-CD2 4.32Å; L683-W690 HydrophobicContact CB-CE3 3.99Å; L683-W690 HydrophobicContact CB-CH2 3.7Å; L683-W690 HydrophobicContact CB-CZ2 4.01Å; L683-W690 HydrophobicContact CB-CZ3 3.67Å; L683-W690 HydrophobicContact CD1-CD2 4.18Å; L683-W690 HydrophobicContact CD1-CG 4.48Å; L683-W690 HydrophobicContact CD1-CZ2 4.13Å; L683-W690 HydrophobicContact CD2-CH2 4.47Å; L683-W690 HydrophobicContact CD2-CZ2 4.23Å; L683-W690 HydrophobicContact CG-CZ2 4.35Å; W690-N725 HydrophobicContact CD2-CB 4.34Å; W690-N725 HydrophobicContact CE3-CB 3.7Å; W690-N725 HydrophobicContact CH2-CB 3.61Å; W690-N725 HydrophobicContact CZ2-CB 4.27Å; W690-N725 HydrophobicContact CZ3-CB 3.29Å
691	E	90.7	Very high	84.9	Confident	18 Å²	18	52.6 Å²	52.6	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138	178.6	-63.3	178.9	-162.7	0	0	109.7	K293 W681 S682 N684 E693 R721	K293-E691 HydrophobicContact CD-CG 4.25Å; W681-E691 CarbonylContact C-O 3.56Å; W681-E691 VanDerWaalsContact CA-O 3.25Å; W681-E691 WeakPolarHBondContact CA-O 3.37Å; S682-E691 PolarHBondContact N-O 3.44Å; S682-E691 PolarHBondContact O-N 2.98Å; N684-E691 WeakPolarHBondContact CB-OE1 3.32Å; N684-E691 PolarHBondContact ND2-OE1 2.96Å; E691-E693 PolarHBondContact O-N 3.03Å; E691-R721 VanDerWaalsContact CD-NH1 3.3Å; E691-R721 IonicContact OE1-NH1 2.87Å; E691-R721 IonicContact OE1-NH2 3.69Å; E691-R721 PolarHBondContact OE1-NH2 3.4Å; E691-R721 IonicContact OE2-CZ 2.87Å; E691-R721 IonicContact OE2-NH1 3.76Å; E691-R721 PolarHBondContact OE2-NH1 3.07Å; E691-R721 IonicContact OE2-NH2 2.7Å; E691-R721 PolarHBondContact OE2-NH2 3.34Å
692	E	89.4	Confident	82.5	Confident	78 Å²	78	63.8 Å²	63.8	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	126	-178.2	179.7	174.6	176.4	0	0	110.7	K679 W681	K679-E692 HydrophobicContact CD-CG 4.3Å; K679-E692 IonicContact NZ-OE1 3.8Å; K679-E692 PolarHBondContact NZ-OE1 3.44Å; K679-E692 IonicContact NZ-OE2 3.96Å; K679-E692 PolarHBondContact NZ-OE2 3.2Å; W681-E692 HydrophobicContact CE3-CB 4.14Å; W681-E692 HydrophobicContact CH2-CB 4.46Å; W681-E692 HydrophobicContact CZ3-CB 3.97Å
693	E	85.9	Confident	80.1	Confident	46 Å²	46	74.3 Å²	74.3	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-32.3	174.2	-71.5	-66.8	164.9	0	0	112	R290 L680 S682 E691 F724	R290-E693 IonicContact CZ-OE1 2.76Å; R290-E693 IonicContact CZ-OE2 3.17Å; R290-E693 IonicContact NH1-OE1 3.44Å; R290-E693 PolarHBondContact NH1-OE1 3.36Å; R290-E693 IonicContact NH2-OE1 3.71Å; R290-E693 PolarHBondContact NH2-OE1 2.86Å; R290-E693 IonicContact NH2-OE2 2.76Å; R290-E693 PolarHBondContact NH2-OE2 3.07Å; L680-E693 HydrophobicContact CD2-CB 3.88Å; L680-E693 HydrophobicContact CG-CB 4.19Å; L680-E693 PolarHBondContact O-N 2.81Å; S682-E693 VanDerWaalsContact CB-OE1 3.26Å; S682-E693 WeakPolarHBondContact CB-OE1 3.31Å; S682-E693 WeakPolarHBondContact OG-CG 3.45Å; S682-E693 PolarHBondContact OG-OE1 3.34Å; E691-E693 PolarHBondContact O-N 3.03Å; E693-F724 HydrophobicContact CG-CE1 4.43Å
694	G	84.7	Confident	77.8	Confident	18 Å²	18	77.5 Å²	77.5	19%	0.186	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	169.8	179.5	0	0	0	0	0	114.2	L680	L680-G694 PolarHBondContact N-O 3.46Å; L680-G694 PolarHBondContact O-N 2.84Å
695	S	85	Confident	75.7	Confident	62 Å²	62	87.5 Å²	87.5	43%	0.434	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	144.1	174.9	62.3	0	0	0	0	111.6
696	L	86.7	Confident	73.7	Confident	9 Å²	9	95.9 Å²	95.9	5%	0.047	44%	0.441	C	S	.	.			trans	-94.4	128.7	167.7	-75.5	115.8	0	0	0	110.7	L664 M678 L680 L712 I713 L726	L664-L696 HydrophobicContact CB-CD2 4.39Å; M678-L696 HydrophobicContact CB-CB 4.31Å; M678-L696 HydrophobicContact CG-CB 4.11Å; M678-L696 HydrophobicContact CG-CD1 3.61Å; M678-L696 HydrophobicContact CG-CG 4.37Å; M678-L696 PolarHBondContact O-N 3.19Å; M678-L696 VanDerWaalsContact O-N 3.15Å; L680-L696 HydrophobicContact CB-CD1 4.25Å; L696-L712 HydrophobicContact CB-CB 4.13Å; L696-L712 HydrophobicContact CD2-CB 4.04Å; L696-I713 WeakPolarHBondContact CA-O 3.24Å; L696-L726 HydrophobicContact CD1-CD2 3.87Å; L696-L726 HydrophobicContact CD2-CD2 4.4Å
697	Q	85	Confident	71.7	Confident	139 Å²	139	98.7 Å²	98.7	65%	0.65	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.4	179.4	-62.5	-168	6.1	0	0	111.4	D699 L712 I713	Q697-D699 PolarHBondContact O-N 2.99Å; Q697-L712 CarbonylContact O-C 3.57Å; Q697-L712 WeakPolarHBondContact O-CA 3.42Å; Q697-I713 PolarHBondContact N-O 3.18Å; Q697-I713 PolarHBondContact O-N 3.48Å
698	L	80.5	Confident	70	Confident	80 Å²	80	105.9 Å²	105.9	42%	0.419	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.4	177.8	-168.8	81.1	0	0	0	110.9	K700 L712	L698-K700 HydrophobicContact CD2-CG 4.15Å; L698-L712 HydrophobicContact CB-CD2 3.98Å; L698-L712 HydrophobicContact CD1-CD2 3.78Å; L698-L712 HydrophobicContact CD1-CG 4.36Å
699	D	72.3	Confident	68.8	Low	59 Å²	59	109.8 Å²	109.8	32%	0.316	50%	0.501	S	S	.	.			trans	-87.8	113.5	174.5	-169.2	18.4	0	0	0	111	Q697 R701 F711 I713	Q697-D699 PolarHBondContact O-N 2.99Å; D699-R701 VanDerWaalsContact C-N 3.33Å; D699-R701 PolarHBondContact O-N 2.83Å; D699-R701 WeakPolarHBondContact OD1-CG 3.4Å; D699-R701 IonicContact OD1-NE 3.61Å; D699-R701 WeakPolarHBondContact OD2-CD 3.24Å; D699-F711 PolarHBondContact N-O 2.84Å; D699-I713 HydrophobicContact CB-CD1 3.4Å; D699-I713 VanDerWaalsContact CB-CD1 3.4Å; D699-I713 HydrophobicContact CB-CG1 3.93Å; D699-I713 WeakPolarHBondContact OD2-CD1 3.34Å
700	K	57	Low	68.2	Low	179 Å²	179	112.5 Å²	112.5	78%	0.778	52%	0.518	S	S	*	.			trans	-93.7	47	179.8	-64.9	-176.2	-178.7	177.3	0	111.7	L698	L698-K700 HydrophobicContact CD2-CG 4.15Å
701	R	53.8	Low	67.8	Low	201 Å²	201	114.5 Å²	114.5	76%	0.758	53%	0.527	S	S	*	.			trans	-88.9	106.7	175.2	-78.3	180	-177.8	-156	0.3	111.2	D699 R703	D699-R701 VanDerWaalsContact C-N 3.33Å; D699-R701 PolarHBondContact O-N 2.83Å; D699-R701 WeakPolarHBondContact OD1-CG 3.4Å; D699-R701 IonicContact OD1-NE 3.61Å; D699-R701 WeakPolarHBondContact OD2-CD 3.24Å; R701-R703 PolarHBondContact O-N 3.09Å
702	R	42.7	Very low	67.5	Low	237 Å²	237	113.7 Å²	113.7	89%	0.894	52%	0.523	S	S	*	.			trans	-66.4	98	164.2	-83.8	-177.2	170.7	173.9	-1.2	109.4
703	R	41.9	Very low	67.5	Low	220 Å²	220	111.8 Å²	111.8	83%	0.83	52%	0.515	S	S	*	.			trans	-89.2	139.4	162.3	-93.3	-178.7	170.3	175.1	-2.3	109.6	R701	R701-R703 PolarHBondContact O-N 3.09Å
704	G	43.9	Very low	67.6	Low	73 Å²	73	109.8 Å²	109.8	75%	0.753	51%	0.507	S	S	*	.			trans	-65.5	140.6	-168.3	0	0	0	0	0	115.6	R706	G704-R706 VanDerWaalsContact C-N 3.29Å; G704-R706 PolarHBondContact O-N 3.3Å
705	K	47	Very low	67.7	Low	225 Å²	225	113.4 Å²	113.4	98%	0.978	52%	0.522	S	S	*	.	S	Bend	trans	44.2	11.1	152.3	-96.5	-174.7	179.6	-178.5	0	122.1
706	R	46.7	Very low	67.8	Low	235 Å²	235	111 Å²	111	89%	0.887	50%	0.504	S	S	*	.	S	Bend	trans	-142.9	107.4	161.2	-112.2	176.2	176.2	174.4	-2.4	109.6	G704	G704-R706 VanDerWaalsContact C-N 3.29Å; G704-R706 PolarHBondContact O-N 3.3Å
707	E	46	Very low	67.7	Low	159 Å²	159	113.2 Å²	113.2	74%	0.743	51%	0.514	S	S	*	.			trans	60	102	176.8	-72.1	176	170.4	0	0	117.6	R709	E707-R709 VanDerWaalsContact C-N 3.25Å; E707-R709 PolarHBondContact O-N 2.84Å
708	E	53.7	Low	67.7	Low	169 Å²	169	106.6 Å²	106.6	79%	0.79	48%	0.483	S	S	*	.			trans	-77.7	60.1	172.5	-66.3	-175.5	151.2	0	0	112
709	R	66.3	Low	67.5	Low	82 Å²	82	104 Å²	104	31%	0.309	47%	0.468	S	S	.	.			trans	-79.4	129.5	169.1	-67.1	-166.3	-175.3	174.2	6.3	110.2	E578 E707 F711	E578-R709 IonicContact OE1-CZ 3.99Å; E578-R709 IonicContact OE1-NH2 3.34Å; E578-R709 PolarHBondContact OE1-NH2 2.04Å; E578-R709 IonicContact OE2-CZ 2.73Å; E578-R709 IonicContact OE2-NE 3.22Å; E578-R709 IonicContact OE2-NH1 2.63Å; E578-R709 IonicContact OE2-NH2 3.54Å; E578-R709 PolarHBondContact OE2-NH2 2.97Å; E707-R709 VanDerWaalsContact C-N 3.25Å; E707-R709 PolarHBondContact O-N 2.84Å; R709-F711 HydrophobicContact CB-CE2 3.85Å; R709-F711 HydrophobicContact CB-CZ 3.96Å
710	T	79.8	Confident	67.5	Low	70 Å²	70	107 Å²	107	43%	0.429	48%	0.48	S	S	.	.			trans	-104.8	131.5	178.5	39.9	0	0	0	0	109.4	S666	S666-T710 WeakPolarHBondContact CB-O 3.13Å; S666-T710 PolarHBondContact N-O 2.85Å; S666-T710 PolarHBondContact OG-O 2.9Å; S666-T710 PolarHBondContact OG-OG1 2.86Å
711	F	84.6	Confident	68.6	Low	46 Å²	46	99.9 Å²	99.9	20%	0.202	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.6	-174.6	-64.8	-83.1	0	0	0	111.6	F663 L664 D665 D699 R709	F663-F711 HydrophobicContact CB-CB 4.28Å; F663-F711 HydrophobicContact CB-CD1 3.9Å; F663-F711 HydrophobicContact CB-CG 4.23Å; F663-F711 HydrophobicContact CD1-CB 4.17Å; F663-F711 HydrophobicContact CD1-CG 4.42Å; L664-F711 CarbonylContact O-C 3.46Å; L664-F711 WeakPolarHBondContact O-CA 3.36Å; D665-F711 HydrophobicContact CB-CD1 4.35Å; D665-F711 HydrophobicContact CB-CE1 4.1Å; D699-F711 PolarHBondContact N-O 2.84Å; R709-F711 HydrophobicContact CB-CE2 3.85Å; R709-F711 HydrophobicContact CB-CZ 3.96Å
712	L	85.3	Confident	70.1	Confident	0 Å²	0	92.8 Å²	92.8	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	124.6	160.4	-69.8	173.6	0	0	0	107.8	F663 L664 V669 L675 M678 L696 Q697 L698	F663-L712 CarbonylContact C-O 3.56Å; F663-L712 WeakPolarHBondContact CA-O 3.47Å; L664-L712 HydrophobicContact CB-CB 4.22Å; L664-L712 HydrophobicContact CD2-CD1 4.04Å; L664-L712 PolarHBondContact N-O 2.83Å; L664-L712 PolarHBondContact O-N 2.8Å; V669-L712 HydrophobicContact CG2-CD1 4.46Å; L675-L712 HydrophobicContact CD2-CD1 4Å; M678-L712 HydrophobicContact CB-CD1 4.09Å; M678-L712 HydrophobicContact CG-CD1 4.16Å; L696-L712 HydrophobicContact CB-CB 4.13Å; L696-L712 HydrophobicContact CD2-CB 4.04Å; Q697-L712 CarbonylContact O-C 3.57Å; Q697-L712 WeakPolarHBondContact O-CA 3.42Å; L698-L712 HydrophobicContact CB-CD2 3.98Å; L698-L712 HydrophobicContact CD1-CD2 3.78Å; L698-L712 HydrophobicContact CD1-CG 4.36Å
713	I	89.6	Confident	72.5	Confident	38 Å²	38	82.7 Å²	82.7	20%	0.195	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127	-176.5	-51.7	-177.1	0	0	0	109.6	V662 F663 L696 Q697 D699	V662-I713 WeakPolarHBondContact O-CA 3.15Å; F663-I713 HydrophobicContact CD1-CD1 3.9Å; F663-I713 HydrophobicContact CD1-CG1 3.69Å; F663-I713 HydrophobicContact CE1-CD1 3.51Å; F663-I713 HydrophobicContact CE1-CG1 3.79Å; F663-I713 HydrophobicContact CE1-CG2 4.24Å; F663-I713 HydrophobicContact CZ-CD1 4.48Å; F663-I713 HydrophobicContact CZ-CG2 4.49Å; L696-I713 WeakPolarHBondContact CA-O 3.24Å; Q697-I713 PolarHBondContact N-O 3.18Å; Q697-I713 PolarHBondContact O-N 3.48Å; D699-I713 HydrophobicContact CB-CD1 3.4Å; D699-I713 VanDerWaalsContact CB-CD1 3.4Å; D699-I713 HydrophobicContact CB-CG1 3.93Å; D699-I713 WeakPolarHBondContact OD2-CD1 3.34Å
714	G	88	Confident	75	Confident	4 Å²	4	72.3 Å²	72.3	4%	0.041	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150	170.3	0	0	0	0	0	111.3	K661 V662	K661-G714 WeakPolarHBondContact CA-O 3.19Å; V662-G714 PolarHBondContact N-O 2.97Å; V662-G714 PolarHBondContact O-N 2.85Å
715	N	86.9	Confident	77.4	Confident	95 Å²	95	68.9 Å²	68.9	51%	0.508	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.2	169.7	-60.7	-33.3	0	0	0	108.9	V660 K661	V660-N715 CarbonylContact O-C 3.41Å; V660-N715 WeakPolarHBondContact O-CA 3.46Å; K661-N715 WeakPolarHBondContact CG-OD1 3.35Å
716	M	86.9	Confident	79.5	Confident	11 Å²	11	58.1 Å²	58.1	5%	0.054	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	166.3	177.2	74.6	-179.9	45.9	0	0	111.6	F642 G658 V660 V662 L680 I718 F724	F642-M716 HydrophobicContact CE2-CE 4.36Å; F642-M716 HydrophobicContact CE2-SD 4.19Å; F642-M716 HydrophobicContact CZ-CE 3.7Å; F642-M716 HydrophobicContact CZ-SD 4.13Å; G658-M716 VanDerWaalsContact O-O 3.06Å; V660-M716 HydrophobicContact CB-CG 3.65Å; V660-M716 HydrophobicContact CB-SD 4.47Å; V660-M716 HydrophobicContact CG1-CG 3.91Å; V660-M716 HydrophobicContact CG1-SD 4.13Å; V660-M716 PolarHBondContact N-O 2.76Å; V660-M716 PolarHBondContact O-N 3.47Å; V662-M716 HydrophobicContact CB-CE 3.96Å; V662-M716 HydrophobicContact CG2-CE 3.18Å; V662-M716 HydrophobicContact CG2-CG 4.42Å; V662-M716 HydrophobicContact CG2-SD 3.75Å; L680-M716 HydrophobicContact CD1-CE 3.29Å; L680-M716 HydrophobicContact CD2-CB 3.35Å; L680-M716 HydrophobicContact CD2-CE 3.27Å; L680-M716 HydrophobicContact CD2-CG 4.39Å; L680-M716 HydrophobicContact CD2-SD 4.49Å; L680-M716 HydrophobicContact CG-CE 3.85Å; M716-I718 HydrophobicContact SD-CD1 4.48Å; M716-I718 HydrophobicContact SD-CG1 4.45Å; M716-F724 HydrophobicContact SD-CG 4.49Å
717	E	83.7	Confident	81.8	Confident	56 Å²	56	47 Å²	47	26%	0.262	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.2	173.3	-171.9	173.9	175.2	0	0	110.2	L224 Y591 A657 G658 R719	L224-E717 WeakPolarHBondContact CD1-OE1 3.26Å; Y591-E717 PolarHBondContact OH-OE1 2.72Å; A657-E717 VanDerWaalsContact O-CG 3.32Å; A657-E717 WeakPolarHBondContact O-CG 3.23Å; G658-E717 VanDerWaalsContact O-CA 3.28Å; G658-E717 WeakPolarHBondContact O-CA 3.49Å; G658-E717 WeakPolarHBondContact O-CB 3.29Å; G658-E717 WeakPolarHBondContact O-CG 3.06Å; E717-R719 HydrophobicContact CG-CG 4.02Å; E717-R719 IonicContact OE1-CZ 2.81Å; E717-R719 IonicContact OE1-NE 3.43Å; E717-R719 PolarHBondContact OE1-NE 2.9Å; E717-R719 IonicContact OE1-NH2 3.65Å; E717-R719 PolarHBondContact OE1-NH2 3.44Å; E717-R719 IonicContact OE2-CZ 3.76Å; E717-R719 IonicContact OE2-NE 3.9Å; E717-R719 PolarHBondContact OE2-NE 3.13Å; E717-R719 IonicContact OE2-NH2 2.64Å; E717-R719 PolarHBondContact OE2-NH2 2.92Å
718	I	84.8	Confident	83.9	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	115.5	-175	-56	-177.1	0	0	0	109	V644 F646 N656 A657 V660 M716 F724	V644-I718 HydrophobicContact CB-CD1 4.22Å; V644-I718 HydrophobicContact CG1-CD1 3.91Å; V644-I718 HydrophobicContact CG2-CD1 4.1Å; F646-I718 HydrophobicContact CE2-CD1 3.72Å; F646-I718 HydrophobicContact CZ-CD1 4.2Å; N656-I718 CarbonylContact C-O 3.45Å; N656-I718 WeakPolarHBondContact CA-O 3.29Å; N656-I718 VanDerWaalsContact CB-O 3.26Å; N656-I718 WeakPolarHBondContact CB-O 3.39Å; A657-I718 HydrophobicContact CB-CB 4.18Å; A657-I718 PolarHBondContact N-O 3.25Å; A657-I718 PolarHBondContact O-N 2.88Å; V660-I718 HydrophobicContact CG1-CD1 4.5Å; V660-I718 HydrophobicContact CG2-CD1 4.09Å; V660-I718 HydrophobicContact CG2-CG1 4.28Å; M716-I718 HydrophobicContact SD-CD1 4.48Å; M716-I718 HydrophobicContact SD-CG1 4.45Å; I718-F724 HydrophobicContact CB-CZ 4.48Å; I718-F724 HydrophobicContact CD1-CE2 4.38Å; I718-F724 HydrophobicContact CG1-CE2 3.94Å; I718-F724 HydrophobicContact CG1-CZ 3.99Å; I718-F724 HydrophobicContact CG2-CE2 4.32Å
719	R	76.6	Confident	85.7	Confident	25 Å²	25	33.1 Å²	33.1	9%	0.094	16%	0.16	C	C	.	.	S	Bend	trans	-132.3	-119.5	-173	-57.5	-175.6	173.3	167.7	2.5	111.9	Y591 N656 E717 R722	Y591-R719 WeakPolarHBondContact OH-CG 3.24Å; N656-R719 WeakPolarHBondContact OD1-CA 3.28Å; N656-R719 PolarHBondContact OD1-O 2.84Å; E717-R719 HydrophobicContact CG-CG 4.02Å; E717-R719 IonicContact OE1-CZ 2.81Å; E717-R719 IonicContact OE1-NE 3.43Å; E717-R719 PolarHBondContact OE1-NE 2.9Å; E717-R719 IonicContact OE1-NH2 3.65Å; E717-R719 PolarHBondContact OE1-NH2 3.44Å; E717-R719 IonicContact OE2-CZ 3.76Å; E717-R719 IonicContact OE2-NE 3.9Å; E717-R719 PolarHBondContact OE2-NE 3.13Å; E717-R719 IonicContact OE2-NH2 2.64Å; E717-R719 PolarHBondContact OE2-NH2 2.92Å; R719-R722 VanDerWaalsContact O-CZ 3.23Å; R719-R722 PolarHBondContact O-NE 3.44Å; R719-R722 PolarHBondContact O-NH2 2.87Å; R719-R722 VanDerWaalsContact O-NH2 3.16Å
720	E	72.8	Confident	86.8	Confident	121 Å²	121	29.8 Å²	29.8	57%	0.565	15%	0.148	S	C	*	.	S	Bend	trans	-70.7	-38.9	172	66.5	-69.9	159	0	0	112.5	R290	R290-E720 IonicContact NH1-OE1 2.95Å
721	R	79.8	Confident	86.9	Confident	31 Å²	31	31.6 Å²	31.6	12%	0.117	16%	0.155	C	C	.	.			trans	-81.3	123.7	176	-62.6	-175.5	-175.3	172.3	0.8	109.6	S682 E691 F724	S682-R721 WeakPolarHBondContact OG-CD 3.43Å; S682-R721 PolarHBondContact OG-NH1 3.33Å; E691-R721 VanDerWaalsContact CD-NH1 3.3Å; E691-R721 IonicContact OE1-NH1 2.87Å; E691-R721 IonicContact OE1-NH2 3.69Å; E691-R721 PolarHBondContact OE1-NH2 3.4Å; E691-R721 IonicContact OE2-CZ 2.87Å; E691-R721 IonicContact OE2-NH1 3.76Å; E691-R721 PolarHBondContact OE2-NH1 3.07Å; E691-R721 IonicContact OE2-NH2 2.7Å; E691-R721 PolarHBondContact OE2-NH2 3.34Å; R721-F724 WeakPolarHBondContact O-CZ 3.19Å
722	R	86.3	Confident	87	Confident	51 Å²	51	32.3 Å²	32.3	19%	0.192	16%	0.156	C	C	.	.			trans	-117	-2.6	-175.3	-62.6	-62.3	179.6	146.3	-3.2	113.8	S643 V644 L655 N656 R719	S643-R722 CarbonylContact C-O 3.59Å; S643-R722 VanDerWaalsContact CA-O 3.26Å; S643-R722 WeakPolarHBondContact CA-O 3.34Å; V644-R722 PolarHBondContact N-O 2.85Å; V644-R722 WeakPolarHBondContact O-CB 3.04Å; V644-R722 WeakPolarHBondContact O-CD 3.01Å; L655-R722 VanDerWaalsContact O-CZ 3.28Å; L655-R722 PolarHBondContact O-NH1 3.4Å; L655-R722 PolarHBondContact O-NH2 2.82Å; N656-R722 PolarHBondContact OD1-NH2 3.03Å; R719-R722 VanDerWaalsContact O-CZ 3.23Å; R719-R722 PolarHBondContact O-NE 3.44Å; R719-R722 PolarHBondContact O-NH2 2.87Å; R719-R722 VanDerWaalsContact O-NH2 3.16Å
723	L	92.3	Very high	87.2	Confident	26 Å²	26	34.1 Å²	34.1	14%	0.136	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.3	178.4	-73.2	167.3	0	0	0	109.2	V531 S682 L683	V531-L723 HydrophobicContact CG1-CD2 4.23Å; S682-L723 WeakPolarHBondContact CA-O 3.04Å; L683-L723 HydrophobicContact CB-CB 4.15Å; L683-L723 HydrophobicContact CD2-CD1 3.98Å; L683-L723 PolarHBondContact N-O 2.8Å; L683-L723 VanDerWaalsContact N-O 3.14Å
724	F	94	Very high	87.3	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.009	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	156	-178.2	-62.4	-82.7	0	0	0	110.8	M641 F642 V644 W681 E693 M716 I718 R721	M641-F724 CarbonylContact C-O 3.52Å; M641-F724 WeakPolarHBondContact CA-O 3.3Å; F642-F724 HydrophobicContact CD1-CB 4.43Å; F642-F724 HydrophobicContact CD2-CB 4.22Å; F642-F724 HydrophobicContact CD2-CD2 4.43Å; F642-F724 HydrophobicContact CE1-CB 3.85Å; F642-F724 HydrophobicContact CE2-CB 3.61Å; F642-F724 AromaticContact CE2-CD2 3.85Å; F642-F724 HydrophobicContact CE2-CD2 3.85Å; F642-F724 HydrophobicContact CE2-CG 4.02Å; F642-F724 HydrophobicContact CZ-CB 3.37Å; F642-F724 HydrophobicContact CZ-CD2 4.39Å; F642-F724 HydrophobicContact CZ-CG 4.09Å; F642-F724 PolarHBondContact N-O 2.97Å; F642-F724 PolarHBondContact O-N 2.97Å; V644-F724 HydrophobicContact CG2-CD2 4.45Å; W681-F724 CarbonylContact O-C 3.45Å; W681-F724 WeakPolarHBondContact O-CA 3.28Å; E693-F724 HydrophobicContact CG-CE1 4.43Å; M716-F724 HydrophobicContact SD-CG 4.49Å; I718-F724 HydrophobicContact CB-CZ 4.48Å; I718-F724 HydrophobicContact CD1-CE2 4.38Å; I718-F724 HydrophobicContact CG1-CE2 3.94Å; I718-F724 HydrophobicContact CG1-CZ 3.99Å; I718-F724 HydrophobicContact CG2-CE2 4.32Å; R721-F724 WeakPolarHBondContact O-CZ 3.19Å
725	N	93.9	Very high	87.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	144.5	-175.5	-160.1	14.2	0	0	0	111.8	L624 T638 G640 M641 W681 W690 D727	L624-N725 VanDerWaalsContact CD2-ND2 3.34Å; L624-N725 WeakPolarHBondContact CD2-ND2 2.93Å; T638-N725 PolarHBondContact OG1-OD1 2.9Å; G640-N725 PolarHBondContact O-OD1 3.28Å; M641-N725 VanDerWaalsContact CG-OD1 3.27Å; M641-N725 WeakPolarHBondContact CG-OD1 3.25Å; W681-N725 HydrophobicContact CB-CB 4.32Å; W681-N725 PolarHBondContact N-O 3.26Å; W681-N725 PolarHBondContact O-N 2.91Å; W690-N725 HydrophobicContact CD2-CB 4.34Å; W690-N725 HydrophobicContact CE3-CB 3.7Å; W690-N725 HydrophobicContact CH2-CB 3.61Å; W690-N725 HydrophobicContact CZ2-CB 4.27Å; W690-N725 HydrophobicContact CZ3-CB 3.29Å; N725-D727 PolarHBondContact ND2-OD1 3.3Å; N725-D727 PolarHBondContact ND2-OD2 3.47Å; N725-D727 PolarHBondContact OD1-OD1 3.19Å
726	L	92.9	Very high	88	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	89.8	-177.3	-63.6	171.2	0	0	0	108.6	V581 Y639 G640 F642 V662 L664 L680 L696	V581-L726 HydrophobicContact CB-CD1 4.39Å; V581-L726 HydrophobicContact CG1-CD1 4Å; V581-L726 HydrophobicContact CG2-CD1 3.45Å; V581-L726 VanDerWaalsContact CG2-CD1 3.45Å; Y639-L726 VanDerWaalsContact CB-O 3.31Å; Y639-L726 WeakPolarHBondContact CB-O 3.49Å; Y639-L726 PolarHBondContact N-O 3.42Å; G640-L726 PolarHBondContact O-N 3.39Å; G640-L726 VanDerWaalsContact O-N 3.08Å; F642-L726 HydrophobicContact CE1-CD1 4.4Å; F642-L726 HydrophobicContact CE1-CG 4.22Å; V662-L726 HydrophobicContact CG1-CD2 4.19Å; L664-L726 HydrophobicContact CD1-CD1 4.35Å; L680-L726 HydrophobicContact CD1-CD2 3.71Å; L696-L726 HydrophobicContact CD1-CD2 3.87Å; L696-L726 HydrophobicContact CD2-CD2 4.4Å
727	D	93.3	Very high	88.4	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.7	-162.6	-76.2	24	0	0	0	113	L636 R637 T638 K679 W681 N725	L636-D727 HydrophobicContact CB-CB 4.04Å; L636-D727 WeakPolarHBondContact CB-OD2 3.22Å; L636-D727 HydrophobicContact CD1-CB 4.16Å; L636-D727 HydrophobicContact CD2-CB 4.28Å; L636-D727 HydrophobicContact CG-CB 4.39Å; R637-D727 VanDerWaalsContact O-CA 3.25Å; R637-D727 WeakPolarHBondContact O-CA 3.42Å; R637-D727 VanDerWaalsContact O-CB 3.3Å; R637-D727 WeakPolarHBondContact O-CB 3.36Å; T638-D727 VanDerWaalsContact CA-CG 3.43Å; T638-D727 WeakPolarHBondContact CA-OD1 3.46Å; T638-D727 WeakPolarHBondContact CB-OD1 3.22Å; T638-D727 WeakPolarHBondContact CB-OD2 3.45Å; T638-D727 PolarHBondContact OG1-OD1 2.95Å; K679-D727 PolarHBondContact N-O 3.25Å; K679-D727 PolarHBondContact O-N 2.77Å; W681-D727 HydrophobicContact CG-CB 4.47Å; W681-D727 PolarHBondContact NE1-O 3.14Å; N725-D727 PolarHBondContact ND2-OD1 3.3Å; N725-D727 PolarHBondContact ND2-OD2 3.47Å; N725-D727 PolarHBondContact OD1-OD1 3.19Å
728	V	91.6	Very high	89	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.9	176.4	-179.9	0	0	0	0	109.3	R637 Y639 H674 N677 M678 E730	R637-V728 PolarHBondContact N-O 3.39Å; R637-V728 PolarHBondContact O-N 3.17Å; Y639-V728 HydrophobicContact CD2-CG2 4.48Å; Y639-V728 HydrophobicContact CE2-CG2 4.18Å; H674-V728 HydrophobicContact CB-CG1 4.48Å; H674-V728 HydrophobicContact CB-CG2 3.9Å; N677-V728 HydrophobicContact CB-CG1 3.71Å; M678-V728 HydrophobicContact CB-CG2 4.28Å; M678-V728 HydrophobicContact CE-CG2 3.76Å; M678-V728 HydrophobicContact SD-CG2 3.79Å; V728-E730 PolarHBondContact O-N 3Å
729	P	91.4	Very high	89.4	Confident	37 Å²	37	25.8 Å²	25.8	24%	0.24	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	125.2	165.9	-23.7	35.6	0	0	0	111	F626 L636 W681	F626-P729 HydrophobicContact CE1-CB 3.86Å; F626-P729 HydrophobicContact CE1-CG 4.13Å; F626-P729 HydrophobicContact CZ-CB 3.77Å; F626-P729 HydrophobicContact CZ-CG 3.9Å; L636-P729 HydrophobicContact CD2-CG 4.27Å; W681-P729 HydrophobicContact CH2-CG 4.2Å; W681-P729 HydrophobicContact CZ2-CG 3.86Å
730	E	87.9	Confident	90.2	Very high	11 Å²	11	24.6 Å²	24.6	5%	0.051	11%	0.114	C	C	.	.			trans	-119.2	126	-178.8	175.8	59.7	-97.7	0	0	110.4	P635 R637 H674 V728 R732 F793 Y802	P635-E730 VanDerWaalsContact CG-O 3.29Å; P635-E730 WeakPolarHBondContact CG-O 3.19Å; P635-E730 PolarHBondContact O-N 2.88Å; R637-E730 HydrophobicContact CB-CB 4.22Å; H674-E730 IonicContact CE1-OE2 3.03Å; H674-E730 IonicContact NE2-OE2 3.39Å; H674-E730 PolarHBondContact NE2-OE2 3.31Å; V728-E730 PolarHBondContact O-N 3Å; E730-R732 WeakPolarHBondContact OE1-CB 3.4Å; E730-R732 WeakPolarHBondContact OE1-CG 3.49Å; E730-R732 IonicContact OE1-CZ 3.9Å; E730-R732 PolarHBondContact OE1-N 2.88Å; E730-R732 IonicContact OE1-NE 3.82Å; E730-R732 PolarHBondContact OE1-NE 3.34Å; E730-R732 VanDerWaalsContact OE1-NE 3.1Å; E730-R732 IonicContact OE1-NH2 2.67Å; E730-R732 IonicContact OE2-CZ 3.95Å; E730-R732 IonicContact OE2-NE 3.84Å; E730-R732 PolarHBondContact OE2-NE 3.36Å; E730-R732 IonicContact OE2-NH2 2.96Å; E730-R732 PolarHBondContact OE2-NH2 3.15Å; E730-F793 HydrophobicContact CB-CD1 4.23Å; E730-F793 HydrophobicContact CB-CE1 3.61Å; E730-F793 HydrophobicContact CB-CE2 4.31Å; E730-F793 HydrophobicContact CB-CZ 3.64Å; E730-F793 HydrophobicContact CG-CD1 3.49Å; E730-F793 VanDerWaalsContact CG-CD1 3.49Å; E730-F793 HydrophobicContact CG-CD2 4.28Å; E730-F793 HydrophobicContact CG-CE1 3.41Å; E730-F793 VanDerWaalsContact CG-CE1 3.41Å; E730-F793 HydrophobicContact CG-CE2 4.19Å; E730-F793 HydrophobicContact CG-CG 3.94Å; E730-F793 HydrophobicContact CG-CZ 3.77Å; E730-Y802 PolarHBondContact OE2-OH 3.32Å
731	N	82.6	Confident	90.8	Very high	109 Å²	109	18.9 Å²	18.9	58%	0.583	9%	0.087	S	C	*	.			trans	-101.5	-18.6	-174.8	-76.9	-32	0	0	0	113.3	R733	N731-R733 PolarHBondContact O-N 2.95Å; N731-R733 PolarHBondContact O-NE 3.45Å; N731-R733 PolarHBondContact OD1-NH2 3.48Å
732	R	85.9	Confident	90.7	Very high	61 Å²	61	23.1 Å²	23.1	23%	0.23	10%	0.103	C	C	.	.			trans	-73.7	96.5	-178.9	-66.2	178.1	-72.3	-157	-12.9	111	E673 E730 F793 C794 D795 Y802	E673-R732 IonicContact OE1-CZ 3.93Å; E673-R732 IonicContact OE1-NH1 3.99Å; E673-R732 PolarHBondContact OE1-NH1 2.88Å; E673-R732 IonicContact OE1-NH2 3.46Å; E673-R732 PolarHBondContact OE1-NH2 3.09Å; E730-R732 WeakPolarHBondContact OE1-CB 3.4Å; E730-R732 WeakPolarHBondContact OE1-CG 3.49Å; E730-R732 IonicContact OE1-CZ 3.9Å; E730-R732 PolarHBondContact OE1-N 2.88Å; E730-R732 IonicContact OE1-NE 3.82Å; E730-R732 PolarHBondContact OE1-NE 3.34Å; E730-R732 VanDerWaalsContact OE1-NE 3.1Å; E730-R732 IonicContact OE1-NH2 2.67Å; E730-R732 IonicContact OE2-CZ 3.95Å; E730-R732 IonicContact OE2-NE 3.84Å; E730-R732 PolarHBondContact OE2-NE 3.36Å; E730-R732 IonicContact OE2-NH2 2.96Å; E730-R732 PolarHBondContact OE2-NH2 3.15Å; R732-F793 VanDerWaalsContact O-CA 3.31Å; R732-F793 WeakPolarHBondContact O-CA 3.45Å; R732-F793 WeakPolarHBondContact O-CD1 3.09Å; R732-C794 VanDerWaalsContact CB-O 3.27Å; R732-C794 WeakPolarHBondContact CB-O 3.38Å; R732-C794 PolarHBondContact O-N 3.32Å; R732-D795 IonicContact NH1-OD2 3.35Å; R732-D795 PolarHBondContact NH1-OD2 2.97Å; R732-Y802 PolarHBondContact NE-OH 2.66Å; R732-Y802 PolarHBondContact NH2-OH 2.96Å
733	R	89.2	Confident	90.1	Very high	38 Å²	38	22.1 Å²	22.1	14%	0.143	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.9	-169.6	-67.7	173.3	-100.1	-171.7	-1.9	112.3	P635 N731 A792 F793 C794 F878	P635-R733 HydrophobicContact CG-CG 4.16Å; N731-R733 PolarHBondContact O-N 2.95Å; N731-R733 PolarHBondContact O-NE 3.45Å; N731-R733 PolarHBondContact OD1-NH2 3.48Å; R733-A792 WeakPolarHBondContact CA-O 3.09Å; R733-F793 HydrophobicContact CG-CD1 4.44Å; R733-C794 PolarHBondContact O-SG 2.88Å; R733-C794 VanDerWaalsContact O-SG 3.34Å; R733-F878 HydrophobicContact CB-CB 3.78Å; R733-F878 HydrophobicContact CB-CD2 3.56Å; R733-F878 HydrophobicContact CB-CE2 4.3Å; R733-F878 HydrophobicContact CB-CG 3.71Å; R733-F878 HydrophobicContact CG-CD2 4.3Å; R733-F878 VanDerWaalsContact NH1-CZ 3.28Å; R733-F878 WeakPolarHBondContact O-CB 3.48Å
734	C	92.4	Very high	89.5	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	171.5	171.6	-69.9	0	0	0	0	109.9	A792 C794 V875 Y876	C734-A792 PolarHBondContact N-O 2.88Å; C734-A792 PolarHBondContact O-N 3.27Å; C734-C794 HydrophobicContact CB-CB 3.6Å; C734-C794 WeakPolarHBondContact CB-SG 3.44Å; C734-C794 PolarHBondContact N-SG 3.14Å; C734-C794 VanDerWaalsContact N-SG 3.36Å; C734-C794 WeakPolarHBondContact SG-CB 3.31Å; C734-C794 CovalentContact SG-SG 2.02Å; C734-C794 PolarHBondContact SG-SG 2.85Å; C734-V875 HydrophobicContact CB-CG1 3.59Å; C734-Y876 CarbonylContact C-O 3.54Å; C734-Y876 VanDerWaalsContact CA-O 3.27Å; C734-Y876 WeakPolarHBondContact CA-O 3.48Å; C734-Y876 VanDerWaalsContact CB-O 3.27Å; C734-Y876 WeakPolarHBondContact CB-O 3.31Å
735	Y	93.8	Very high	88.7	Confident	22 Å²	22	34.3 Å²	34.3	9%	0.086	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139	167	-61.7	-73.3	0	0	0	111.1	L790 P791 V875 Y876 F878 L881	Y735-L790 CarbonylContact C-O 3.49Å; Y735-L790 VanDerWaalsContact CA-O 3.25Å; Y735-L790 WeakPolarHBondContact CA-O 3.28Å; Y735-P791 HydrophobicContact CD1-CB 4.29Å; Y735-P791 HydrophobicContact CE1-CB 4.07Å; Y735-V875 CarbonylContact O-C 3.57Å; Y735-V875 VanDerWaalsContact O-CA 3.23Å; Y735-V875 WeakPolarHBondContact O-CA 3.34Å; Y735-Y876 PolarHBondContact N-O 2.87Å; Y735-Y876 PolarHBondContact O-N 3.11Å; Y735-F878 HydrophobicContact CE1-CD2 4.41Å; Y735-F878 HydrophobicContact CE1-CE2 4.49Å; Y735-F878 AromaticContact CE2-CD2 3.78Å; Y735-F878 HydrophobicContact CE2-CD2 3.78Å; Y735-F878 HydrophobicContact CE2-CE2 4.34Å; Y735-F878 HydrophobicContact CE2-CG 4.4Å; Y735-F878 VanDerWaalsContact CE2-O 3.27Å; Y735-F878 WeakPolarHBondContact CE2-O 3.37Å; Y735-F878 AromaticContact CZ-CD2 3.59Å; Y735-F878 AromaticContact CZ-CE2 3.74Å; Y735-F878 WeakPolarHBondContact OH-CD2 3.49Å; Y735-F878 WeakPolarHBondContact OH-CE2 3.23Å; Y735-L881 HydrophobicContact CD1-CD1 4.19Å; Y735-L881 HydrophobicContact CD2-CB 4.38Å; Y735-L881 HydrophobicContact CD2-CD1 4.24Å; Y735-L881 HydrophobicContact CE1-CD1 3.84Å; Y735-L881 HydrophobicContact CE2-CB 3.65Å; Y735-L881 HydrophobicContact CE2-CD1 3.86Å; Y735-L881 HydrophobicContact CE2-CG 4.27Å; Y735-L881 HydrophobicContact CG-CD1 4.38Å
736	V	95.1	Very high	88.2	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.6	173.2	-177.9	0	0	0	0	109	V738 L759 L790 A792 I858 V860 V875 F894	V736-V738 HydrophobicContact CG1-CG2 4.36Å; V736-L759 HydrophobicContact CB-CD1 4.14Å; V736-L759 HydrophobicContact CG2-CD1 3.96Å; V736-L790 PolarHBondContact N-O 3.29Å; V736-L790 PolarHBondContact O-N 2.05Å; V736-A792 HydrophobicContact CG2-CB 4.02Å; V736-I858 HydrophobicContact CG1-CD1 4.13Å; V736-V860 HydrophobicContact CG2-CG1 4.24Å; V736-V875 HydrophobicContact CG2-CG2 4.5Å; V736-F894 HydrophobicContact CG1-CD2 3.77Å; V736-F894 HydrophobicContact CG1-CE2 3.86Å
737	K	95.9	Very high	87.7	Confident	3 Å²	3	39.2 Å²	39.2	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	124.3	-179	-171	74	-177.6	-177.5	0	111.4	N786 A788 C789 P874 Y876 C884 H893 F894	K737-N786 WeakPolarHBondContact CE-O 3.18Å; K737-N786 PolarHBondContact NZ-O 2.65Å; K737-A788 WeakPolarHBondContact CA-O 3.4Å; K737-C789 VanDerWaalsContact CD-SG 3.56Å; K737-P874 PolarHBondContact N-O 3.11Å; K737-Y876 HydrophobicContact CB-CD2 4.35Å; K737-Y876 HydrophobicContact CB-CE2 3.82Å; K737-Y876 HydrophobicContact CG-CE2 4.4Å; K737-C884 WeakPolarHBondContact CD-O 3.24Å; K737-C884 WeakPolarHBondContact CE-O 3.11Å; K737-C884 PolarHBondContact NZ-O 3.14Å; K737-H893 HydrophobicContact CB-CB 4.27Å; K737-H893 HydrophobicContact CG-CB 3.75Å; K737-F894 PolarHBondContact O-N 2.67Å
738	V	96.1	Very high	87	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.1	179	-176.7	0	0	0	0	110.2	V736 V757 G787 A788 L790 V806 F894 F896	V736-V738 HydrophobicContact CG1-CG2 4.36Å; V738-V757 HydrophobicContact CB-CG1 4.27Å; V738-V757 HydrophobicContact CG1-CG1 4.06Å; V738-V757 HydrophobicContact CG1-CG2 4.28Å; V738-V757 HydrophobicContact CG2-CG1 4.3Å; V738-G787 CarbonylContact O-C 3.55Å; V738-G787 WeakPolarHBondContact O-CA 3.43Å; V738-A788 PolarHBondContact N-O 3.26Å; V738-A788 PolarHBondContact O-N 2.02Å; V738-L790 HydrophobicContact CB-CD1 3.86Å; V738-L790 HydrophobicContact CG2-CD1 3.41Å; V738-L790 VanDerWaalsContact CG2-CD1 3.41Å; V738-V806 HydrophobicContact CG2-CG1 4.28Å; V738-F894 WeakPolarHBondContact CA-O 3.45Å; V738-F894 HydrophobicContact CG2-CB 4.3Å; V738-F896 HydrophobicContact CG1-CD2 3.62Å; V738-F896 HydrophobicContact CG1-CE2 3.79Å
739	R	94.7	Very high	86.1	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.5	170.5	-64.3	-175.6	-175.7	-116.2	-1.3	110.1	F741 N786 A887 P888 H893 F894 R895 F896	R739-F741 HydrophobicContact CB-CE2 3.61Å; R739-F741 HydrophobicContact CB-CZ 3.85Å; R739-N786 PolarHBondContact NE-O 2.83Å; R739-N786 PolarHBondContact NH2-O 2.79Å; R739-A887 PolarHBondContact NH2-O 3.44Å; R739-P888 PolarHBondContact NH2-O 2.89Å; R739-H893 HydrophobicContact CG-CB 4.38Å; R739-F894 PolarHBondContact N-O 3.08Å; R739-R895 WeakPolarHBondContact O-CA 3.4Å; R739-F896 PolarHBondContact O-N 3.48Å
740	A	91.6	Very high	85.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.9	176.5	0	0	0	0	0	110.1	Q751 V752 V755 L815 F896	A740-Q751 CarbonylContact O-C 3.56Å; A740-Q751 WeakPolarHBondContact O-CA 3.44Å; A740-Q751 WeakPolarHBondContact O-CG 3.2Å; A740-V752 PolarHBondContact O-N 3.11Å; A740-V755 HydrophobicContact CB-CB 4.15Å; A740-V755 HydrophobicContact CB-CG1 4.2Å; A740-V755 HydrophobicContact CB-CG2 3.68Å; A740-L815 HydrophobicContact CB-CD1 3.88Å; A740-F896 CarbonylContact C-O 3.57Å; A740-F896 WeakPolarHBondContact CA-O 3.49Å; A740-F896 HydrophobicContact CB-CB 4.49Å
741	F	86.6	Confident	85.2	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.6	-173.5	-62.3	-90	0	0	0	112	R739 S743 F746 M747 E750 Q751 F889 H893 R895 F896 S897 R898	R739-F741 HydrophobicContact CB-CE2 3.61Å; R739-F741 HydrophobicContact CB-CZ 3.85Å; F741-S743 VanDerWaalsContact C-N 3.3Å; F741-F746 HydrophobicContact CB-CD1 4.01Å; F741-F746 HydrophobicContact CD1-CB 4.37Å; F741-F746 HydrophobicContact CD2-CB 4.39Å; F741-F746 AromaticContact CD2-CD1 3.5Å; F741-F746 HydrophobicContact CD2-CD1 3.5Å; F741-F746 VanDerWaalsContact CD2-CD1 3.5Å; F741-F746 HydrophobicContact CD2-CE1 4.28Å; F741-F746 HydrophobicContact CD2-CG 4.4Å; F741-F746 HydrophobicContact CE1-CB 4.37Å; F741-F746 HydrophobicContact CE2-CB 4.39Å; F741-F746 HydrophobicContact CE2-CD1 4.08Å; F741-F746 HydrophobicContact CG-CB 4.37Å; F741-F746 AromaticContact CG-CD1 3.78Å; F741-F746 HydrophobicContact CG-CD1 3.78Å; F741-F746 HydrophobicContact CZ-CB 4.37Å; F741-M747 WeakPolarHBondContact CD1-O 3.45Å; F741-E750 CarbonylContact C-O 3.54Å; F741-E750 WeakPolarHBondContact CA-O 3.38Å; F741-Q751 HydrophobicContact CD1-CB 4.24Å; F741-Q751 HydrophobicContact CE1-CB 4.1Å; F741-Q751 HydrophobicContact CE1-CG 4.33Å; F741-F889 AromaticContact CE1-CE2 3.75Å; F741-F889 HydrophobicContact CE1-CE2 3.75Å; F741-F889 HydrophobicContact CE1-CZ 4.38Å; F741-F889 AromaticContact CZ-CE2 3.75Å; F741-F889 HydrophobicContact CZ-CE2 3.75Å; F741-F889 HydrophobicContact CZ-CZ 4.39Å; F741-H893 AromaticContact CZ-NE2 3.95Å; F741-R895 HydrophobicContact CD2-CB 4.26Å; F741-R895 HydrophobicContact CD2-CG 4.44Å; F741-R895 HydrophobicContact CE2-CB 4.08Å; F741-R895 HydrophobicContact CE2-CG 3.79Å; F741-F896 PolarHBondContact N-O 3.4Å; F741-S897 WeakPolarHBondContact O-CA 3.45Å; F741-R898 PolarHBondContact O-N 2.9Å
742	R	76.5	Confident	85.1	Confident	120 Å²	120	41.3 Å²	41.3	45%	0.453	20%	0.196	S	C	.	.	S	Bend	trans	-71.9	-24.5	175.4	-61.4	-175.1	-176.2	-177.2	0.9	112.9	E750 V752 D914	R742-E750 HydrophobicContact CB-CB 4.43Å; R742-E750 PolarHBondContact N-O 2.85Å; R742-V752 HydrophobicContact CB-CG2 4.34Å; R742-V752 HydrophobicContact CG-CG2 3.31Å; R742-D914 IonicContact CZ-OD2 2.72Å; R742-D914 IonicContact NH2-OD2 2.79Å; R742-D914 PolarHBondContact NH2-OD2 2.86Å
743	S	74.7	Confident	85	Confident	30 Å²	30	40 Å²	40	21%	0.21	19%	0.192	C	C	.	.	S	Bend	trans	-140.5	164	-178.3	93.2	0	0	0	0	112.7	F741 R745 F746 E750	F741-S743 VanDerWaalsContact C-N 3.3Å; S743-R745 PolarHBondContact O-N 2.76Å; S743-R745 VanDerWaalsContact O-N 3.14Å; S743-R745 WeakPolarHBondContact OG-CB 3.45Å; S743-R745 PolarHBondContact OG-N 3.16Å; S743-F746 PolarHBondContact O-N 3.25Å; S743-E750 WeakPolarHBondContact CB-OE2 3.44Å; S743-E750 PolarHBondContact OG-OE2 2.89Å
744	E	79.6	Confident	84.5	Confident	134 Å²	134	38.9 Å²	38.9	63%	0.626	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	1.2	173.3	-60.5	-174.4	167.5	0	0	113.9	F746	E744-F746 WeakPolarHBondContact O-CD2 3.39Å; E744-F746 WeakPolarHBondContact O-CE2 3.41Å
745	R	77	Confident	84.3	Confident	151 Å²	151	38.9 Å²	38.9	57%	0.57	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-18.7	175.5	-59.9	-179.2	-179.4	177.8	2.4	112.8	S743 M747	S743-R745 PolarHBondContact O-N 2.76Å; S743-R745 VanDerWaalsContact O-N 3.14Å; S743-R745 WeakPolarHBondContact OG-CB 3.45Å; S743-R745 PolarHBondContact OG-N 3.16Å; R745-M747 VanDerWaalsContact C-N 3.3Å; R745-M747 HydrophobicContact CB-CG 4.28Å; R745-M747 PolarHBondContact O-N 2.82Å
746	F	84.3	Confident	84.2	Confident	15 Å²	15	38.3 Å²	38.3	7%	0.066	19%	0.191	C	C	.	.			trans	53.2	42.5	176.6	-48.8	-60.2	0	0	0	113.7	F741 S743 E744 V818 L828 F889 R895	F741-F746 HydrophobicContact CB-CD1 4.01Å; F741-F746 HydrophobicContact CD1-CB 4.37Å; F741-F746 HydrophobicContact CD2-CB 4.39Å; F741-F746 AromaticContact CD2-CD1 3.5Å; F741-F746 HydrophobicContact CD2-CD1 3.5Å; F741-F746 VanDerWaalsContact CD2-CD1 3.5Å; F741-F746 HydrophobicContact CD2-CE1 4.28Å; F741-F746 HydrophobicContact CD2-CG 4.4Å; F741-F746 HydrophobicContact CE1-CB 4.37Å; F741-F746 HydrophobicContact CE2-CB 4.39Å; F741-F746 HydrophobicContact CE2-CD1 4.08Å; F741-F746 HydrophobicContact CG-CB 4.37Å; F741-F746 AromaticContact CG-CD1 3.78Å; F741-F746 HydrophobicContact CG-CD1 3.78Å; F741-F746 HydrophobicContact CZ-CB 4.37Å; S743-F746 PolarHBondContact O-N 3.25Å; E744-F746 WeakPolarHBondContact O-CD2 3.39Å; E744-F746 WeakPolarHBondContact O-CE2 3.41Å; F746-V818 HydrophobicContact CE1-CG2 4.36Å; F746-V818 HydrophobicContact CE2-CG2 4.28Å; F746-V818 HydrophobicContact CZ-CG2 3.72Å; F746-L828 HydrophobicContact CD2-CD2 4.23Å; F746-L828 HydrophobicContact CE2-CB 4.41Å; F746-L828 HydrophobicContact CE2-CD2 3.97Å; F746-F889 WeakPolarHBondContact O-CZ 3.41Å; F746-R895 HydrophobicContact CD1-CB 4.04Å; F746-R895 HydrophobicContact CD1-CG 4.44Å; F746-R895 HydrophobicContact CE1-CB 3.9Å; F746-R895 HydrophobicContact CZ-CB 4.46Å
747	M	81.5	Confident	84.1	Confident	87 Å²	87	38.3 Å²	38.3	43%	0.429	19%	0.191	S	C	.	.			trans	-77.6	146.4	177.3	-69.6	-67.3	176.4	0	0	111.1	F741 R745 S749 E750	F741-M747 WeakPolarHBondContact CD1-O 3.45Å; R745-M747 VanDerWaalsContact C-N 3.3Å; R745-M747 HydrophobicContact CB-CG 4.28Å; R745-M747 PolarHBondContact O-N 2.82Å; M747-S749 VanDerWaalsContact C-N 3.25Å; M747-S749 PolarHBondContact O-N 2.9Å; M747-E750 HydrophobicContact CB-CB 4.35Å; M747-E750 HydrophobicContact CB-CG 4.11Å; M747-E750 PolarHBondContact O-N 2.94Å
748	P	79.6	Confident	84	Confident	74 Å²	74	39 Å²	39	48%	0.481	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-56.1	-37.4	177.9	-24.2	31.3	0	0	0	113.9	E750 Q751 F889	P748-E750 PolarHBondContact O-N 2.81Å; P748-Q751 PolarHBondContact O-N 2.73Å; P748-F889 HydrophobicContact CB-CD2 4.06Å; P748-F889 HydrophobicContact CB-CE2 4.24Å; P748-F889 HydrophobicContact CB-CG 4.22Å; P748-F889 HydrophobicContact CG-CD1 3.71Å; P748-F889 HydrophobicContact CG-CD2 4.02Å; P748-F889 HydrophobicContact CG-CE1 3.69Å; P748-F889 HydrophobicContact CG-CE2 3.99Å; P748-F889 HydrophobicContact CG-CG 3.89Å; P748-F889 HydrophobicContact CG-CZ 3.84Å
749	S	71.4	Confident	83.8	Confident	75 Å²	75	39 Å²	39	52%	0.524	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-72.3	-11.4	177.8	52.5	0	0	0	0	114.1	M747	M747-S749 VanDerWaalsContact C-N 3.25Å; M747-S749 PolarHBondContact O-N 2.9Å
750	E	75.8	Confident	83.7	Confident	21 Å²	21	39.1 Å²	39.1	10%	0.098	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-105	9.6	179.9	-65	-178.2	171.4	0	0	112.4	F741 R742 S743 M747 P748	F741-E750 CarbonylContact C-O 3.54Å; F741-E750 WeakPolarHBondContact CA-O 3.38Å; R742-E750 HydrophobicContact CB-CB 4.43Å; R742-E750 PolarHBondContact N-O 2.85Å; S743-E750 WeakPolarHBondContact CB-OE2 3.44Å; S743-E750 PolarHBondContact OG-OE2 2.89Å; M747-E750 HydrophobicContact CB-CB 4.35Å; M747-E750 HydrophobicContact CB-CG 4.11Å; M747-E750 PolarHBondContact O-N 2.94Å; P748-E750 PolarHBondContact O-N 2.81Å
751	Q	84.3	Confident	83.6	Confident	23 Å²	23	39.1 Å²	39.1	11%	0.107	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-69.7	143	176.5	-166.8	179.6	-47.4	0	0	110.9	A740 F741 P748 P785	A740-Q751 CarbonylContact O-C 3.56Å; A740-Q751 WeakPolarHBondContact O-CA 3.44Å; A740-Q751 WeakPolarHBondContact O-CG 3.2Å; F741-Q751 HydrophobicContact CD1-CB 4.24Å; F741-Q751 HydrophobicContact CE1-CB 4.1Å; F741-Q751 HydrophobicContact CE1-CG 4.33Å; P748-Q751 PolarHBondContact O-N 2.73Å; Q751-P785 PolarHBondContact NE2-O 2.81Å
752	V	80.6	Confident	83.5	Confident	9 Å²	9	39.6 Å²	39.6	6%	0.055	20%	0.199	C	C	.	.			trans	-114	128.2	-174.2	-172.7	0	0	0	0	110.7	A740 R742 V755 T783 L810	A740-V752 PolarHBondContact O-N 3.11Å; R742-V752 HydrophobicContact CB-CG2 4.34Å; R742-V752 HydrophobicContact CG-CG2 3.31Å; V752-V755 HydrophobicContact CB-CG2 4.16Å; V752-V755 HydrophobicContact CG1-CG2 3.83Å; V752-T783 PolarHBondContact O-OG1 3.24Å; V752-L810 HydrophobicContact CG1-CD2 3.85Å
753	E	83.7	Confident	83.2	Confident	34 Å²	34	35 Å²	35	16%	0.159	18%	0.183	C	C	.	.	S	Bend	trans	-91.4	167.8	171.9	-52.7	-167.8	-159	0	0	110.7	V755 T783 P785 D914 R1067	E753-V755 VanDerWaalsContact C-N 3.26Å; E753-V755 PolarHBondContact O-N 3.19Å; E753-T783 CarbonylContact C-O 3.52Å; E753-T783 WeakPolarHBondContact CA-O 3.45Å; E753-T783 WeakPolarHBondContact CA-OG1 3.38Å; E753-P785 VanDerWaalsContact OE1-CA 3.23Å; E753-P785 WeakPolarHBondContact OE1-CA 3.36Å; E753-P785 WeakPolarHBondContact OE1-CB 3.48Å; E753-P785 WeakPolarHBondContact OE2-CD 3.35Å; E753-D914 HydrophobicContact CB-CB 4.06Å; E753-D914 HydrophobicContact CG-CB 4.05Å; E753-D914 PolarHBondContact N-OD1 2.83Å; E753-R1067 VanDerWaalsContact O-CZ 3.28Å; E753-R1067 PolarHBondContact O-NH1 3.3Å; E753-R1067 PolarHBondContact O-NH2 2.94Å
754	G	80.6	Confident	82.4	Confident	14 Å²	14	35.7 Å²	35.7	14%	0.144	19%	0.187	C	C	.	.	S	Bend	trans	76.8	4.3	176.2	0	0	0	0	0	115.4	T783	G754-T783 PolarHBondContact N-O 3.15Å; G754-T783 PolarHBondContact N-OG1 3.1Å
755	V	87.1	Confident	81.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.			trans	-79	124.9	176.8	-176.8	0	0	0	0	109.1	A740 V752 E753 V757 V782 T783 A808 N809 L810 L815	A740-V755 HydrophobicContact CB-CB 4.15Å; A740-V755 HydrophobicContact CB-CG1 4.2Å; A740-V755 HydrophobicContact CB-CG2 3.68Å; V752-V755 HydrophobicContact CB-CG2 4.16Å; V752-V755 HydrophobicContact CG1-CG2 3.83Å; E753-V755 VanDerWaalsContact C-N 3.26Å; E753-V755 PolarHBondContact O-N 3.19Å; V755-V757 HydrophobicContact CG1-CG2 4.23Å; V755-V757 PolarHBondContact O-N 3.45Å; V755-V782 CarbonylContact O-C 3.58Å; V755-V782 WeakPolarHBondContact O-CA 3.32Å; V755-T783 HydrophobicContact CB-CG2 3.92Å; V755-T783 WeakPolarHBondContact CB-OG1 3.45Å; V755-T783 PolarHBondContact N-OG1 3.11Å; V755-T783 PolarHBondContact O-N 2.92Å; V755-A808 HydrophobicContact CG1-CB 3.93Å; V755-N809 CarbonylContact C-O 3.55Å; V755-N809 WeakPolarHBondContact CG1-O 3.28Å; V755-L810 HydrophobicContact CG1-CB 4.48Å; V755-L810 HydrophobicContact CG2-CB 4.18Å; V755-L810 HydrophobicContact CG2-CD1 4.03Å; V755-L810 HydrophobicContact CG2-CD2 4.25Å; V755-L810 HydrophobicContact CG2-CG 4.38Å; V755-L815 HydrophobicContact CG1-CD1 3.61Å; V755-L815 HydrophobicContact CG2-CD1 4.18Å
756	V	91.1	Very high	79.3	Confident	11 Å²	11	31.4 Å²	31.4	7%	0.067	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	104.8	172.5	-176.9	0	0	0	0	108.4	V546 V782 A808 N809	V546-V756 HydrophobicContact CG1-CG2 3.45Å; V546-V756 VanDerWaalsContact CG1-CG2 3.45Å; V756-V782 HydrophobicContact CG2-CG2 4.27Å; V756-A808 CarbonylContact O-C 3.45Å; V756-N809 PolarHBondContact N-O 2.51Å; V756-N809 PolarHBondContact O-N 2.69Å
757	V	94.3	Very high	77.5	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.6	172.5	-170.2	0	0	0	0	108	V738 V755 S780 V781 T783 A788 L790 V806 M807 A808	V738-V757 HydrophobicContact CB-CG1 4.27Å; V738-V757 HydrophobicContact CG1-CG1 4.06Å; V738-V757 HydrophobicContact CG1-CG2 4.28Å; V738-V757 HydrophobicContact CG2-CG1 4.3Å; V755-V757 HydrophobicContact CG1-CG2 4.23Å; V755-V757 PolarHBondContact O-N 3.45Å; V757-S780 CarbonylContact O-C 3.57Å; V757-S780 WeakPolarHBondContact O-CA 3.16Å; V757-V781 PolarHBondContact N-O 3.33Å; V757-V781 PolarHBondContact O-N 2.83Å; V757-T783 HydrophobicContact CG2-CG2 3.74Å; V757-A788 HydrophobicContact CG2-CB 4.36Å; V757-L790 HydrophobicContact CB-CD1 4.11Å; V757-L790 HydrophobicContact CB-CD2 3.89Å; V757-L790 HydrophobicContact CB-CG 4.48Å; V757-L790 HydrophobicContact CG1-CD1 3.61Å; V757-L790 HydrophobicContact CG1-CD2 3.65Å; V757-L790 HydrophobicContact CG1-CG 4.25Å; V757-L790 VanDerWaalsContact O-CD2 3.3Å; V757-L790 WeakPolarHBondContact O-CD2 3.44Å; V757-V806 HydrophobicContact CG1-CG1 3.79Å; V757-M807 CarbonylContact C-O 3.5Å; V757-M807 WeakPolarHBondContact CA-O 3.25Å; V757-M807 VanDerWaalsContact CG1-O 3.32Å; V757-M807 WeakPolarHBondContact CG1-O 3.37Å; V757-A808 HydrophobicContact CG2-CB 4.17Å
758	S	92.8	Very high	75.4	Confident	16 Å²	16	40.8 Å²	40.8	11%	0.112	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.3	179.2	-57.8	0	0	0	0	110.4	D779 S780 V806 M807	S758-D779 CarbonylContact C-O 3.51Å; S758-D779 VanDerWaalsContact CA-O 3.29Å; S758-D779 WeakPolarHBondContact CA-O 3.41Å; S758-S780 WeakPolarHBondContact CB-OG 3.39Å; S758-S780 PolarHBondContact OG-OG 2.96Å; S758-V806 WeakPolarHBondContact O-CA 3.49Å; S758-M807 PolarHBondContact N-O 2.82Å; S758-M807 PolarHBondContact O-N 3.11Å
759	L	93.3	Very high	73.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129	177.2	-174.2	151.2	0	0	0	109.6	V736 N761 F778 D779 L790 A792 A804 V806	V736-L759 HydrophobicContact CB-CD1 4.14Å; V736-L759 HydrophobicContact CG2-CD1 3.96Å; L759-N761 WeakPolarHBondContact CD2-OD1 3.37Å; L759-F778 WeakPolarHBondContact O-CA 3.46Å; L759-D779 PolarHBondContact N-O 2.67Å; L759-D779 PolarHBondContact O-N 2.87Å; L759-L790 HydrophobicContact CB-CB 4.23Å; L759-L790 HydrophobicContact CB-CD2 3.83Å; L759-L790 HydrophobicContact CD1-CB 4.04Å; L759-A792 HydrophobicContact CD1-CB 3.87Å; L759-A792 HydrophobicContact CD2-CB 3.84Å; L759-A804 HydrophobicContact CD1-CB 3.97Å; L759-A804 HydrophobicContact CD2-CB 3.96Å; L759-A804 HydrophobicContact CG-CB 3.9Å; L759-V806 HydrophobicContact CD1-CG2 4.02Å; L759-V806 HydrophobicContact CG-CG2 4.16Å
760	I	91.5	Very high	71.8	Confident	7 Å²	7	44.6 Å²	44.6	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.5	174	-44	-170.1	0	0	0	108.3	A617 M762 W775 R777 F778 A804 Y805 M807	A617-I760 HydrophobicContact CB-CD1 4.02Å; A617-I760 HydrophobicContact CB-CG2 4.21Å; I760-M762 HydrophobicContact CB-SD 4.49Å; I760-M762 HydrophobicContact CG2-SD 3.74Å; I760-W775 HydrophobicContact CG2-CB 3.65Å; I760-W775 HydrophobicContact CG2-CG 4.34Å; I760-R777 WeakPolarHBondContact CA-O 3.33Å; I760-F778 HydrophobicContact CD1-CD2 4.23Å; I760-F778 HydrophobicContact CG1-CD2 3.85Å; I760-F778 HydrophobicContact CG1-CE2 4.31Å; I760-A804 CarbonylContact O-C 3.59Å; I760-A804 VanDerWaalsContact O-CA 3.31Å; I760-A804 WeakPolarHBondContact O-CA 3.26Å; I760-Y805 HydrophobicContact CD1-CD1 4.34Å; I760-Y805 PolarHBondContact N-O 3.2Å; I760-Y805 PolarHBondContact O-N 3.41Å; I760-M807 HydrophobicContact CD1-CE 3.87Å; I760-M807 HydrophobicContact CG1-CE 4.24Å
761	N	89.8	Confident	70.1	Confident	0 Å²	0	49 Å²	49	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	129.7	171.7	-80.7	112.1	0	0	0	110.2	L759 W775 G776 R777 A792 F793	L759-N761 WeakPolarHBondContact CD2-OD1 3.37Å; N761-W775 CarbonylContact O-C 3.53Å; N761-W775 WeakPolarHBondContact O-CA 3.33Å; N761-G776 PolarHBondContact O-N 3.14Å; N761-R777 HydrophobicContact CB-CB 4.21Å; N761-R777 PolarHBondContact N-O 3.2Å; N761-A792 WeakPolarHBondContact OD1-CA 3.28Å; N761-F793 HydrophobicContact CB-CD2 4.13Å; N761-F793 PolarHBondContact ND2-N 2.71Å; N761-F793 VanDerWaalsContact ND2-N 3.19Å; N761-F793 PolarHBondContact ND2-O 2.84Å; N761-F793 PolarHBondContact OD1-N 3.03Å; N761-F793 VanDerWaalsContact OD1-N 3.1Å
762	M	83.8	Confident	68.6	Low	10 Å²	10	50.2 Å²	50.2	5%	0.049	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.8	-171.7	-58.5	-67.7	-74.5	0	0	111	V614 I760 R773 W775 S803	V614-M762 HydrophobicContact CB-CE 4.18Å; V614-M762 HydrophobicContact CG1-CE 3.75Å; V614-M762 HydrophobicContact CG1-SD 3.88Å; V614-M762 HydrophobicContact CG2-CE 3.27Å; V614-M762 HydrophobicContact CG2-SD 4.25Å; I760-M762 HydrophobicContact CB-SD 4.49Å; I760-M762 HydrophobicContact CG2-SD 3.74Å; M762-R773 HydrophobicContact CE-CB 3.36Å; M762-R773 HydrophobicContact CE-CG 4.32Å; M762-W775 HydrophobicContact SD-CB 3.65Å; M762-S803 WeakPolarHBondContact CB-OG 3.26Å; M762-S803 PolarHBondContact N-O 3.32Å; M762-S803 PolarHBondContact O-N 2.92Å
763	E	70.7	Confident	67.8	Low	23 Å²	23	55 Å²	55	11%	0.107	33%	0.331	C	S	.	.			trans	-64.3	141.6	173.7	-78.4	-167.1	169.6	0	0	112.7	R637 A774	R637-E763 IonicContact CZ-OE1 2.75Å; R637-E763 VanDerWaalsContact NH2-CD 3.28Å; R637-E763 IonicContact NH2-OE1 3.12Å; R637-E763 PolarHBondContact NH2-OE1 2.66Å; E763-A774 HydrophobicContact CG-CB 4.24Å; E763-A774 PolarHBondContact N-O 2.84Å
764	P	58.7	Low	67.4	Low	46 Å²	46	54 Å²	54	30%	0.299	33%	0.328	S	S	.	.			trans	-73	147.9	179	33.7	-37.8	0	0	0	111.8	A766 D800 A801	P764-A766 PolarHBondContact O-N 2.99Å; P764-D800 WeakPolarHBondContact CB-O 3.42Å; P764-A801 WeakPolarHBondContact CB-O 3.38Å; P764-A801 WeakPolarHBondContact CD-O 3.25Å; P764-A801 WeakPolarHBondContact CG-O 3.14Å
765	T	52.1	Low	67.7	Low	100 Å²	100	53.3 Å²	53.3	61%	0.613	32%	0.321	S	S	*	.			trans	-82.9	106.4	173.2	45.2	0	0	0	0	110.6
766	A	39.5	Very low	67.5	Low	95 Å²	95	53.3 Å²	53.3	79%	0.785	32%	0.321	S	S	*	.			trans	-98.8	110.9	167.7	0	0	0	0	0	111.3	P764 Y768	P764-A766 PolarHBondContact O-N 2.99Å; A766-Y768 PolarHBondContact O-N 3.49Å
767	G	45.7	Very low	67.4	Low	74 Å²	74	53.1 Å²	53.1	76%	0.763	32%	0.32	S	S	*	.	S	Bend	trans	70.2	-9.7	147.9	0	0	0	0	0	121.4
768	Y	36.7	Very low	67.1	Low	225 Å²	225	54.8 Å²	54.8	88%	0.882	33%	0.327	S	S	*	.			trans	-142.9	145.4	177.8	-82.4	-85.9	0	0	0	114.2	A766 S770	A766-Y768 PolarHBondContact O-N 3.49Å; Y768-S770 PolarHBondContact O-N 2.71Å
769	S	39	Very low	66.9	Low	117 Å²	117	54.6 Å²	54.6	82%	0.818	32%	0.324	S	S	*	.	S	Bend	trans	-80.3	88.6	177.3	54.6	0	0	0	0	111.7
770	S	37.2	Very low	66.8	Low	111 Å²	111	56 Å²	56	78%	0.776	33%	0.334	S	S	*	.			trans	-174.6	112.2	151.4	17.8	0	0	0	0	109.3	Y768	Y768-S770 PolarHBondContact O-N 2.71Å
771	N	40.7	Very low	66.8	Low	114 Å²	114	57.4 Å²	57.4	61%	0.61	34%	0.343	S	S	*	.			trans	-63.3	163.8	177.8	-133	15	0	0	0	111.3	R773	N771-R773 WeakPolarHBondContact OD1-CG 3.08Å; N771-R773 PolarHBondContact OD1-N 3.19Å
772	P	51.3	Low	66.9	Low	49 Å²	49	58.5 Å²	58.5	32%	0.318	35%	0.35	S	S	.	.			cis	-113.6	148.7	37.9	-0.7	25.4	0	0	0	115	R612 A774	R612-P772 HydrophobicContact CB-CB 4.41Å; R612-P772 HydrophobicContact CB-CG 4.18Å; R612-P772 WeakPolarHBondContact O-CB 3.26Å; P772-A774 PolarHBondContact O-N 2.68Å
773	R	64.9	Low	67.2	Low	109 Å²	109	58.2 Å²	58.2	41%	0.411	35%	0.349	S	S	.	.			trans	-64.9	104.2	161.3	-66	171.8	-177.2	171.4	-0.5	107.6	V614 M762 N771	V614-R773 WeakPolarHBondContact CG2-O 3.36Å; M762-R773 HydrophobicContact CE-CB 3.36Å; M762-R773 HydrophobicContact CE-CG 4.32Å; N771-R773 WeakPolarHBondContact OD1-CG 3.08Å; N771-R773 PolarHBondContact OD1-N 3.19Å
774	A	75.7	Confident	67.9	Low	12 Å²	12	58.1 Å²	58.1	10%	0.099	35%	0.354	C	S	.	.			trans	-71.9	138.3	169	0	0	0	0	0	109.6	P611 R612 E763 P772	P611-A774 HydrophobicContact CB-CB 4.49Å; P611-A774 CarbonylContact O-C 3.58Å; P611-A774 VanDerWaalsContact O-CA 3.24Å; P611-A774 WeakPolarHBondContact O-CA 3.46Å; R612-A774 HydrophobicContact CG-CB 4.43Å; E763-A774 HydrophobicContact CG-CB 4.24Å; E763-A774 PolarHBondContact N-O 2.84Å; P772-A774 PolarHBondContact O-N 2.68Å
775	W	85.6	Confident	68.9	Low	0 Å²	0	59.1 Å²	59.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	144.8	171.1	73.7	-88.4	0	0	0	109.6	L609 P611 A617 A620 L624 T638 I760 N761 M762 F778	L609-W775 HydrophobicContact CD1-CZ2 4.45Å; L609-W775 HydrophobicContact CD2-CZ2 3.57Å; P611-W775 HydrophobicContact CB-CG 4.47Å; P611-W775 VanDerWaalsContact CB-O 3.27Å; P611-W775 WeakPolarHBondContact CB-O 3.48Å; P611-W775 PolarHBondContact O-N 3.48Å; A617-W775 VanDerWaalsContact CA-CE2 3.48Å; A617-W775 HydrophobicContact CB-CD2 3.55Å; A617-W775 HydrophobicContact CB-CE3 4.03Å; A617-W775 HydrophobicContact CB-CG 3.76Å; A617-W775 HydrophobicContact CB-CZ2 4.22Å; A620-W775 HydrophobicContact CB-CH2 3.44Å; A620-W775 VanDerWaalsContact CB-CH2 3.44Å; A620-W775 HydrophobicContact CB-CZ2 3.92Å; A620-W775 HydrophobicContact CB-CZ3 4.4Å; L624-W775 HydrophobicContact CD1-CH2 4.28Å; L624-W775 HydrophobicContact CD1-CZ3 3.91Å; T638-W775 HydrophobicContact CG2-CE3 4.25Å; T638-W775 HydrophobicContact CG2-CH2 3.61Å; T638-W775 HydrophobicContact CG2-CZ2 4.15Å; T638-W775 HydrophobicContact CG2-CZ3 3.69Å; I760-W775 HydrophobicContact CG2-CB 3.65Å; I760-W775 HydrophobicContact CG2-CG 4.34Å; N761-W775 CarbonylContact O-C 3.53Å; N761-W775 WeakPolarHBondContact O-CA 3.33Å; M762-W775 HydrophobicContact SD-CB 3.65Å; W775-F778 HydrophobicContact CE3-CB 4.46Å; W775-F778 HydrophobicContact CZ3-CB 4.11Å
776	G	83.3	Confident	70.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-20.3	-176.8	0	0	0	0	0	114.2	R637 T638 N761	R637-G776 CarbonylContact C-O 3.55Å; R637-G776 WeakPolarHBondContact CA-O 3.22Å; T638-G776 PolarHBondContact N-O 2.92Å; N761-G776 PolarHBondContact O-N 3.14Å
777	R	88.9	Confident	73.1	Confident	8 Å²	8	53.1 Å²	53.1	3%	0.03	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	149	177.6	-176.2	170.4	179.3	79.9	17.8	110.9	D623 L624 N625 L636 I760 N761 D779 F793	D623-R777 PolarHBondContact O-NH1 2.87Å; D623-R777 PolarHBondContact O-NH2 3.35Å; L624-R777 HydrophobicContact CD1-CG 4.5Å; L624-R777 PolarHBondContact O-NH1 3.08Å; N625-R777 PolarHBondContact ND2-NH2 2.75Å; N625-R777 PolarHBondContact OD1-NH2 3.03Å; N625-R777 VanDerWaalsContact OD1-NH2 3.13Å; L636-R777 PolarHBondContact O-NH1 3.14Å; L636-R777 VanDerWaalsContact O-NH1 3.16Å; I760-R777 WeakPolarHBondContact CA-O 3.33Å; N761-R777 HydrophobicContact CB-CB 4.21Å; N761-R777 PolarHBondContact N-O 3.2Å; R777-D779 WeakPolarHBondContact CD-OD2 3.38Å; R777-D779 WeakPolarHBondContact CG-OD2 3.49Å; R777-D779 IonicContact CZ-OD1 3.55Å; R777-D779 IonicContact CZ-OD2 3.9Å; R777-D779 IonicContact NE-OD1 3.19Å; R777-D779 IonicContact NE-OD2 2.86Å; R777-D779 PolarHBondContact NE-OD2 2.84Å; R777-D779 IonicContact NH2-OD1 2.67Å; R777-D779 PolarHBondContact NH2-OD1 2.83Å; R777-D779 IonicContact NH2-OD2 3.01Å; R777-D779 PolarHBondContact NH2-OD2 3.4Å; R777-F793 HydrophobicContact CB-CD2 4.17Å; R777-F793 HydrophobicContact CB-CE2 3.59Å; R777-F793 HydrophobicContact CB-CZ 4.22Å; R777-F793 HydrophobicContact CG-CE2 4.25Å; R777-F793 HydrophobicContact CG-CZ 4.42Å
778	F	87.7	Confident	75.4	Confident	35 Å²	35	49.7 Å²	49.7	15%	0.154	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126.8	174.4	174.1	-84.8	0	0	0	108.3	L759 I760 W775 S780	L759-F778 WeakPolarHBondContact O-CA 3.46Å; I760-F778 HydrophobicContact CD1-CD2 4.23Å; I760-F778 HydrophobicContact CG1-CD2 3.85Å; I760-F778 HydrophobicContact CG1-CE2 4.31Å; W775-F778 HydrophobicContact CE3-CB 4.46Å; W775-F778 HydrophobicContact CZ3-CB 4.11Å; F778-S780 VanDerWaalsContact CE1-OG 3.22Å; F778-S780 WeakPolarHBondContact CE1-OG 3.47Å; F778-S780 VanDerWaalsContact CZ-OG 3.22Å; F778-S780 WeakPolarHBondContact CZ-OG 3.18Å
779	D	88.7	Confident	78.1	Confident	11 Å²	11	39.6 Å²	39.6	6%	0.059	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	156.1	173.5	-75.6	-71.2	0	0	0	110.6	S758 L759 R777 P791	S758-D779 CarbonylContact C-O 3.51Å; S758-D779 VanDerWaalsContact CA-O 3.29Å; S758-D779 WeakPolarHBondContact CA-O 3.41Å; L759-D779 PolarHBondContact N-O 2.67Å; L759-D779 PolarHBondContact O-N 2.87Å; R777-D779 WeakPolarHBondContact CD-OD2 3.38Å; R777-D779 WeakPolarHBondContact CG-OD2 3.49Å; R777-D779 IonicContact CZ-OD1 3.55Å; R777-D779 IonicContact CZ-OD2 3.9Å; R777-D779 IonicContact NE-OD1 3.19Å; R777-D779 IonicContact NE-OD2 2.86Å; R777-D779 PolarHBondContact NE-OD2 2.84Å; R777-D779 IonicContact NH2-OD1 2.67Å; R777-D779 PolarHBondContact NH2-OD1 2.83Å; R777-D779 IonicContact NH2-OD2 3.01Å; R777-D779 PolarHBondContact NH2-OD2 3.4Å; D779-P791 HydrophobicContact CB-CG 3.77Å
780	S	91.4	Very high	80.8	Confident	29 Å²	29	34 Å²	34	20%	0.203	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138.9	174.7	-64.7	0	0	0	0	111.4	V757 S758 F778	V757-S780 CarbonylContact O-C 3.57Å; V757-S780 WeakPolarHBondContact O-CA 3.16Å; S758-S780 WeakPolarHBondContact CB-OG 3.39Å; S758-S780 PolarHBondContact OG-OG 2.96Å; F778-S780 VanDerWaalsContact CE1-OG 3.22Å; F778-S780 WeakPolarHBondContact CE1-OG 3.47Å; F778-S780 VanDerWaalsContact CZ-OG 3.22Å; F778-S780 WeakPolarHBondContact CZ-OG 3.18Å
781	V	92.1	Very high	83.4	Confident	38 Å²	38	30.4 Å²	30.4	23%	0.23	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.5	-178.3	-179.1	0	0	0	0	109	V757 A788 L790	V757-V781 PolarHBondContact N-O 3.33Å; V757-V781 PolarHBondContact O-N 2.83Å; V781-A788 HydrophobicContact CB-CB 4.29Å; V781-A788 HydrophobicContact CG1-CB 3.96Å; V781-L790 HydrophobicContact CB-CG 4.4Å; V781-L790 HydrophobicContact CG2-CG 4.36Å
782	V	91.3	Very high	85.8	Confident	23 Å²	23	25.1 Å²	25.1	14%	0.139	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	133.2	175.3	178.9	0	0	0	0	109.2	P538 V546 V755 V756	P538-V782 HydrophobicContact CB-CG2 4Å; P538-V782 HydrophobicContact CG-CG2 4.22Å; V546-V782 HydrophobicContact CG1-CG2 3.92Å; V546-V782 HydrophobicContact CG2-CG1 4.41Å; V546-V782 HydrophobicContact CG2-CG2 4.31Å; V755-V782 CarbonylContact O-C 3.58Å; V755-V782 WeakPolarHBondContact O-CA 3.32Å; V756-V782 HydrophobicContact CG2-CG2 4.27Å
783	T	90.3	Very high	87.7	Confident	4 Å²	4	22.8 Å²	22.8	3%	0.025	13%	0.132	C	C	.	.			trans	-66.9	133.6	177.2	57	0	0	0	0	111.6	V752 E753 G754 V755 V757 A788	V752-T783 PolarHBondContact O-OG1 3.24Å; E753-T783 CarbonylContact C-O 3.52Å; E753-T783 WeakPolarHBondContact CA-O 3.45Å; E753-T783 WeakPolarHBondContact CA-OG1 3.38Å; G754-T783 PolarHBondContact N-O 3.15Å; G754-T783 PolarHBondContact N-OG1 3.1Å; V755-T783 HydrophobicContact CB-CG2 3.92Å; V755-T783 WeakPolarHBondContact CB-OG1 3.45Å; V755-T783 PolarHBondContact N-OG1 3.11Å; V755-T783 PolarHBondContact O-N 2.92Å; V757-T783 HydrophobicContact CG2-CG2 3.74Å; T783-A788 HydrophobicContact CG2-CB 3.84Å
784	G	85.2	Confident	88.8	Confident	21 Å²	21	17.7 Å²	17.7	22%	0.216	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-104.4	-163.6	167.3	0	0	0	0	0	112.5	N786 G787	G784-N786 PolarHBondContact O-N 3.15Å; G784-N786 VanDerWaalsContact O-N 3.15Å; G784-G787 PolarHBondContact N-O 2.83Å; G784-G787 PolarHBondContact O-N 3.3Å
785	P	80.2	Confident	89.1	Confident	66 Å²	66	18.2 Å²	18.2	43%	0.429	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.2	-176.1	22.9	-33.9	0	0	0	113.2	Q751 E753	Q751-P785 PolarHBondContact NE2-O 2.81Å; E753-P785 VanDerWaalsContact OE1-CA 3.23Å; E753-P785 WeakPolarHBondContact OE1-CA 3.36Å; E753-P785 WeakPolarHBondContact OE1-CB 3.48Å; E753-P785 WeakPolarHBondContact OE2-CD 3.35Å
786	N	88.3	Confident	88.8	Confident	59 Å²	59	23 Å²	23	32%	0.316	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	8.1	176.2	-70.8	-31.8	0	0	0	113.3	K737 R739 G784 E885	K737-N786 WeakPolarHBondContact CE-O 3.18Å; K737-N786 PolarHBondContact NZ-O 2.65Å; R739-N786 PolarHBondContact NE-O 2.83Å; R739-N786 PolarHBondContact NH2-O 2.79Å; G784-N786 PolarHBondContact O-N 3.15Å; G784-N786 VanDerWaalsContact O-N 3.15Å; N786-E885 WeakPolarHBondContact CB-O 3.33Å; N786-E885 PolarHBondContact ND2-O 3.4Å
787	G	90.8	Very high	88.4	Confident	11 Å²	11	31.4 Å²	31.4	11%	0.113	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	92.6	-158.5	-174.2	0	0	0	0	0	112.6	V738 G784	V738-G787 CarbonylContact O-C 3.55Å; V738-G787 WeakPolarHBondContact O-CA 3.43Å; G784-G787 PolarHBondContact N-O 2.83Å; G784-G787 PolarHBondContact O-N 3.3Å
788	A	94	Very high	87.8	Confident	2 Å²	2	37.5 Å²	37.5	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.8	179.5	0	0	0	0	0	111.4	K737 V738 V757 V781 T783 L790	K737-A788 WeakPolarHBondContact CA-O 3.4Å; V738-A788 PolarHBondContact N-O 3.26Å; V738-A788 PolarHBondContact O-N 2.02Å; V757-A788 HydrophobicContact CG2-CB 4.36Å; V781-A788 HydrophobicContact CB-CB 4.29Å; V781-A788 HydrophobicContact CG1-CB 3.96Å; T783-A788 HydrophobicContact CG2-CB 3.84Å; A788-L790 HydrophobicContact CB-CD1 4.27Å
789	C	94.6	Very high	87	Confident	13 Å²	13	37.6 Å²	37.6	9%	0.088	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	101.3	172.1	-72.6	0	0	0	0	108.7	K737 L881 C884 E885	K737-C789 VanDerWaalsContact CD-SG 3.56Å; C789-L881 HydrophobicContact CB-CD1 4.42Å; C789-C884 HydrophobicContact CB-CB 4.04Å; C789-C884 WeakPolarHBondContact CB-SG 3.49Å; C789-C884 WeakPolarHBondContact SG-CB 3.31Å; C789-C884 PolarHBondContact SG-O 3.02Å; C789-C884 CovalentContact SG-SG 2.04Å; C789-C884 PolarHBondContact SG-SG 3.28Å; C789-E885 HydrophobicContact CB-CG 4.44Å; C789-E885 PolarHBondContact SG-N 2.65Å; C789-E885 VanDerWaalsContact SG-N 3.41Å
790	L	94.3	Very high	86.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	124	-174.2	-65.9	108.5	0	0	0	110.6	Y735 V736 V738 V757 L759 V781 A788	Y735-L790 CarbonylContact C-O 3.49Å; Y735-L790 VanDerWaalsContact CA-O 3.25Å; Y735-L790 WeakPolarHBondContact CA-O 3.28Å; V736-L790 PolarHBondContact N-O 3.29Å; V736-L790 PolarHBondContact O-N 2.05Å; V738-L790 HydrophobicContact CB-CD1 3.86Å; V738-L790 HydrophobicContact CG2-CD1 3.41Å; V738-L790 VanDerWaalsContact CG2-CD1 3.41Å; V757-L790 HydrophobicContact CB-CD1 4.11Å; V757-L790 HydrophobicContact CB-CD2 3.89Å; V757-L790 HydrophobicContact CB-CG 4.48Å; V757-L790 HydrophobicContact CG1-CD1 3.61Å; V757-L790 HydrophobicContact CG1-CD2 3.65Å; V757-L790 HydrophobicContact CG1-CG 4.25Å; V757-L790 VanDerWaalsContact O-CD2 3.3Å; V757-L790 WeakPolarHBondContact O-CD2 3.44Å; L759-L790 HydrophobicContact CB-CB 4.23Å; L759-L790 HydrophobicContact CB-CD2 3.83Å; L759-L790 HydrophobicContact CD1-CB 4.04Å; V781-L790 HydrophobicContact CB-CG 4.4Å; V781-L790 HydrophobicContact CG2-CG 4.36Å; A788-L790 HydrophobicContact CB-CD1 4.27Å
791	P	92.3	Very high	85.4	Confident	34 Å²	34	40.2 Å²	40.2	22%	0.221	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	139.3	171.4	27.9	-33.3	0	0	0	109.5	Y735 D779	Y735-P791 HydrophobicContact CD1-CB 4.29Å; Y735-P791 HydrophobicContact CE1-CB 4.07Å; D779-P791 HydrophobicContact CB-CG 3.77Å
792	A	91.9	Very high	84.9	Confident	3 Å²	3	38.5 Å²	38.5	3%	0.025	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	150.5	178.3	0	0	0	0	0	110.5	R733 C734 V736 L759 N761 V860	R733-A792 WeakPolarHBondContact CA-O 3.09Å; C734-A792 PolarHBondContact N-O 2.88Å; C734-A792 PolarHBondContact O-N 3.27Å; V736-A792 HydrophobicContact CG2-CB 4.02Å; L759-A792 HydrophobicContact CD1-CB 3.87Å; L759-A792 HydrophobicContact CD2-CB 3.84Å; N761-A792 WeakPolarHBondContact OD1-CA 3.28Å; A792-V860 HydrophobicContact CB-CG1 4.18Å
793	F	89.9	Confident	84.7	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.3	162.9	-58.4	-40.9	0	0	0	111.2	P635 R637 E730 R732 R733 N761 R777 Y802 V860	P635-F793 HydrophobicContact CB-CE1 4.06Å; P635-F793 HydrophobicContact CB-CZ 4.2Å; P635-F793 HydrophobicContact CG-CE1 3.84Å; P635-F793 HydrophobicContact CG-CZ 4.4Å; R637-F793 HydrophobicContact CB-CE2 3.81Å; R637-F793 HydrophobicContact CB-CZ 4.16Å; R637-F793 HydrophobicContact CG-CE2 4.18Å; E730-F793 HydrophobicContact CB-CD1 4.23Å; E730-F793 HydrophobicContact CB-CE1 3.61Å; E730-F793 HydrophobicContact CB-CE2 4.31Å; E730-F793 HydrophobicContact CB-CZ 3.64Å; E730-F793 HydrophobicContact CG-CD1 3.49Å; E730-F793 VanDerWaalsContact CG-CD1 3.49Å; E730-F793 HydrophobicContact CG-CD2 4.28Å; E730-F793 HydrophobicContact CG-CE1 3.41Å; E730-F793 VanDerWaalsContact CG-CE1 3.41Å; E730-F793 HydrophobicContact CG-CE2 4.19Å; E730-F793 HydrophobicContact CG-CG 3.94Å; E730-F793 HydrophobicContact CG-CZ 3.77Å; R732-F793 VanDerWaalsContact O-CA 3.31Å; R732-F793 WeakPolarHBondContact O-CA 3.45Å; R732-F793 WeakPolarHBondContact O-CD1 3.09Å; R733-F793 HydrophobicContact CG-CD1 4.44Å; N761-F793 HydrophobicContact CB-CD2 4.13Å; N761-F793 PolarHBondContact ND2-N 2.71Å; N761-F793 VanDerWaalsContact ND2-N 3.19Å; N761-F793 PolarHBondContact ND2-O 2.84Å; N761-F793 PolarHBondContact OD1-N 3.03Å; N761-F793 VanDerWaalsContact OD1-N 3.1Å; R777-F793 HydrophobicContact CB-CD2 4.17Å; R777-F793 HydrophobicContact CB-CE2 3.59Å; R777-F793 HydrophobicContact CB-CZ 4.22Å; R777-F793 HydrophobicContact CG-CE2 4.25Å; R777-F793 HydrophobicContact CG-CZ 4.42Å; F793-Y802 HydrophobicContact CB-CD1 3.63Å; F793-Y802 HydrophobicContact CB-CD2 4.25Å; F793-Y802 HydrophobicContact CB-CE1 3.68Å; F793-Y802 HydrophobicContact CB-CE2 4.29Å; F793-Y802 HydrophobicContact CB-CG 3.91Å; F793-Y802 HydrophobicContact CD2-CE1 4.37Å; F793-Y802 HydrophobicContact CG-CE1 4.35Å; F793-Y802 WeakPolarHBondContact O-CB 3.34Å; F793-V860 WeakPolarHBondContact O-CB 3.39Å; F793-V860 WeakPolarHBondContact O-CG1 3.35Å
794	C	88	Confident	84.7	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.014	21%	0.209	C	C	.	.			trans	-150.1	160.1	-175.3	65.9	0	0	0	0	110.8	R732 R733 C734 V860 K862	R732-C794 VanDerWaalsContact CB-O 3.27Å; R732-C794 WeakPolarHBondContact CB-O 3.38Å; R732-C794 PolarHBondContact O-N 3.32Å; R733-C794 PolarHBondContact O-SG 2.88Å; R733-C794 VanDerWaalsContact O-SG 3.34Å; C734-C794 HydrophobicContact CB-CB 3.6Å; C734-C794 WeakPolarHBondContact CB-SG 3.44Å; C734-C794 PolarHBondContact N-SG 3.14Å; C734-C794 VanDerWaalsContact N-SG 3.36Å; C734-C794 WeakPolarHBondContact SG-CB 3.31Å; C734-C794 CovalentContact SG-SG 2.02Å; C734-C794 PolarHBondContact SG-SG 2.85Å; C794-V860 WeakPolarHBondContact CA-O 2.96Å; C794-V860 HydrophobicContact CB-CB 4.18Å; C794-V860 HydrophobicContact CB-CG1 3.58Å; C794-V860 VanDerWaalsContact CB-O 3.3Å; C794-V860 WeakPolarHBondContact CB-O 3.41Å; C794-K862 HydrophobicContact CB-CB 4.45Å
795	D	83.1	Confident	85	Confident	23 Å²	23	40.5 Å²	40.5	12%	0.123	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-133.4	148.3	176.8	-165.5	-79.8	0	0	0	110.9	R732 Q797 K798 A801 Y802 V860 K862	R732-D795 IonicContact NH1-OD2 3.35Å; R732-D795 PolarHBondContact NH1-OD2 2.97Å; D795-Q797 PolarHBondContact OD1-N 2.87Å; D795-K798 WeakPolarHBondContact CB-O 2.98Å; D795-K798 PolarHBondContact OD1-N 2.72Å; D795-A801 HydrophobicContact CB-CB 3.75Å; D795-Y802 HydrophobicContact CB-CD2 4.15Å; D795-Y802 HydrophobicContact CB-CE2 4.24Å; D795-V860 PolarHBondContact N-O 2.84Å; D795-K862 WeakPolarHBondContact O-CB 3.32Å; D795-K862 PolarHBondContact O-N 2.72Å
796	E	79.3	Confident	85.7	Confident	100 Å²	100	37.3 Å²	37.3	47%	0.467	19%	0.191	S	C	.	.	S	Bend	trans	-87.5	-38.9	-178.5	-161.9	169.1	154.9	0	0	112.4	K862	E796-K862 HydrophobicContact CB-CB 4.36Å; E796-K862 HydrophobicContact CB-CD 4.07Å; E796-K862 HydrophobicContact CG-CD 4.36Å; E796-K862 IonicContact OE2-NZ 3.17Å; E796-K862 PolarHBondContact OE2-NZ 3.28Å
797	Q	74.5	Confident	85.9	Confident	176 Å²	176	37 Å²	37	82%	0.822	19%	0.189	S	C	*	.	S	Bend	trans	-87.5	-37.3	-174.1	-63	-176.4	2.7	0	0	111.7	D795 P799	D795-Q797 PolarHBondContact OD1-N 2.87Å; Q797-P799 WeakPolarHBondContact O-CD 3.42Å
798	K	75.9	Confident	85.9	Confident	137 Å²	137	36.6 Å²	36.6	60%	0.596	18%	0.184	S	C	*	.			trans	-120.7	90.6	-177.5	-68.7	-179.4	-173.8	173.2	0	110	D795 D800 A801	D795-K798 WeakPolarHBondContact CB-O 2.98Å; D795-K798 PolarHBondContact OD1-N 2.72Å; K798-D800 PolarHBondContact O-N 2.79Å; K798-A801 HydrophobicContact CB-CB 3.77Å; K798-A801 WeakPolarHBondContact O-CB 3.04Å; K798-A801 PolarHBondContact O-N 2.84Å
799	P	70.1	Confident	85.5	Confident	37 Å²	37	38.1 Å²	38.1	24%	0.24	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-30.4	-179.5	-31.3	37.7	0	0	0	114.9	Q797 K838 N859 A861	Q797-P799 WeakPolarHBondContact O-CD 3.42Å; P799-K838 HydrophobicContact CB-CG 4.15Å; P799-K838 HydrophobicContact CG-CG 4.27Å; P799-N859 WeakPolarHBondContact O-CB 3.07Å; P799-A861 HydrophobicContact CB-CB 3.69Å; P799-A861 HydrophobicContact CG-CB 4.37Å
800	D	73.1	Confident	84.9	Confident	80 Å²	80	38.2 Å²	38.2	43%	0.428	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.3	-179.4	63.9	-32	0	0	0	113.8	P764 K798 Y802	P764-D800 WeakPolarHBondContact CB-O 3.42Å; K798-D800 PolarHBondContact O-N 2.79Å; D800-Y802 PolarHBondContact O-N 2.73Å
801	A	74.6	Confident	83.8	Confident	15 Å²	15	39.1 Å²	39.1	12%	0.124	20%	0.201	C	C	.	.	S	Bend	trans	-64.3	-22.3	177.7	0	0	0	0	0	113.4	P764 D795 K798	P764-A801 WeakPolarHBondContact CB-O 3.38Å; P764-A801 WeakPolarHBondContact CD-O 3.25Å; P764-A801 WeakPolarHBondContact CG-O 3.14Å; D795-A801 HydrophobicContact CB-CB 3.75Å; K798-A801 HydrophobicContact CB-CB 3.77Å; K798-A801 WeakPolarHBondContact O-CB 3.04Å; K798-A801 PolarHBondContact O-N 2.84Å
802	Y	81.6	Confident	82.6	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.204	C	C	.	.			trans	-134.2	137.8	169.3	-62.7	-79.5	0	0	0	110	E730 R732 F793 D795 D800 V860	E730-Y802 PolarHBondContact OE2-OH 3.32Å; R732-Y802 PolarHBondContact NE-OH 2.66Å; R732-Y802 PolarHBondContact NH2-OH 2.96Å; F793-Y802 HydrophobicContact CB-CD1 3.63Å; F793-Y802 HydrophobicContact CB-CD2 4.25Å; F793-Y802 HydrophobicContact CB-CE1 3.68Å; F793-Y802 HydrophobicContact CB-CE2 4.29Å; F793-Y802 HydrophobicContact CB-CG 3.91Å; F793-Y802 HydrophobicContact CD2-CE1 4.37Å; F793-Y802 HydrophobicContact CG-CE1 4.35Å; F793-Y802 WeakPolarHBondContact O-CB 3.34Å; D795-Y802 HydrophobicContact CB-CD2 4.15Å; D795-Y802 HydrophobicContact CB-CE2 4.24Å; D800-Y802 PolarHBondContact O-N 2.73Å; Y802-V860 PolarHBondContact O-N 3.29Å
803	S	87.6	Confident	81.6	Confident	20 Å²	20	40.1 Å²	40.1	14%	0.14	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.4	164.4	56.5	0	0	0	0	110	M762 I858	M762-S803 WeakPolarHBondContact CB-OG 3.26Å; M762-S803 PolarHBondContact N-O 3.32Å; M762-S803 PolarHBondContact O-N 2.92Å; S803-I858 CarbonylContact C-O 3.46Å; S803-I858 WeakPolarHBondContact CA-O 3.38Å; S803-I858 WeakPolarHBondContact CB-O 3.34Å
804	A	89.9	Confident	81.2	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.1	177.1	0	0	0	0	0	109.8	L759 I760 V806 S857 I858 V860	L759-A804 HydrophobicContact CD1-CB 3.97Å; L759-A804 HydrophobicContact CD2-CB 3.96Å; L759-A804 HydrophobicContact CG-CB 3.9Å; I760-A804 CarbonylContact O-C 3.59Å; I760-A804 VanDerWaalsContact O-CA 3.31Å; I760-A804 WeakPolarHBondContact O-CA 3.26Å; A804-V806 HydrophobicContact CB-CG2 4.41Å; A804-S857 CarbonylContact O-C 3.32Å; A804-S857 VanDerWaalsContact O-CA 3.22Å; A804-S857 WeakPolarHBondContact O-CA 3.45Å; A804-I858 HydrophobicContact CB-CG1 4.04Å; A804-I858 PolarHBondContact N-O 2.83Å; A804-I858 PolarHBondContact O-N 2.81Å; A804-V860 HydrophobicContact CB-CG2 3.43Å; A804-V860 VanDerWaalsContact CB-CG2 3.43Å
805	Y	91.2	Very high	81.2	Confident	69 Å²	69	44 Å²	44	27%	0.271	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.6	169.3	-172.6	-98.7	0	0	0	108.4	I760 M807 T844 A855	I760-Y805 HydrophobicContact CD1-CD1 4.34Å; I760-Y805 PolarHBondContact N-O 3.2Å; I760-Y805 PolarHBondContact O-N 3.41Å; Y805-M807 HydrophobicContact CD1-CG 3.98Å; Y805-M807 HydrophobicContact CD1-SD 4.16Å; Y805-M807 HydrophobicContact CE1-CG 3.66Å; Y805-M807 HydrophobicContact CE1-SD 3.67Å; Y805-T844 HydrophobicContact CE2-CG2 3.65Å; Y805-T844 WeakPolarHBondContact OH-CG2 3.4Å; Y805-A855 HydrophobicContact CD1-CB 4.48Å; Y805-A855 HydrophobicContact CE1-CB 3.69Å; Y805-A855 HydrophobicContact CE2-CB 3.94Å; Y805-A855 WeakPolarHBondContact OH-CB 3.43Å
806	V	94.1	Very high	81.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.4	-170.3	-171.6	0	0	0	0	110	V738 V757 S758 L759 A804 A855 F856 F896	V738-V806 HydrophobicContact CG2-CG1 4.28Å; V757-V806 HydrophobicContact CG1-CG1 3.79Å; S758-V806 WeakPolarHBondContact O-CA 3.49Å; L759-V806 HydrophobicContact CD1-CG2 4.02Å; L759-V806 HydrophobicContact CG-CG2 4.16Å; A804-V806 HydrophobicContact CB-CG2 4.41Å; V806-A855 VanDerWaalsContact O-CA 3.25Å; V806-A855 WeakPolarHBondContact O-CA 3.4Å; V806-A855 VanDerWaalsContact O-CB 3.28Å; V806-A855 WeakPolarHBondContact O-CB 3.42Å; V806-F856 HydrophobicContact CB-CD1 4.43Å; V806-F856 HydrophobicContact CB-CD2 4.31Å; V806-F856 HydrophobicContact CB-CE1 3.97Å; V806-F856 HydrophobicContact CB-CE2 3.81Å; V806-F856 HydrophobicContact CB-CZ 3.62Å; V806-F856 HydrophobicContact CG1-CE1 4.11Å; V806-F856 HydrophobicContact CG1-CZ 3.87Å; V806-F856 HydrophobicContact CG2-CD2 4.44Å; V806-F856 HydrophobicContact CG2-CE2 3.75Å; V806-F856 HydrophobicContact CG2-CZ 3.9Å; V806-F856 PolarHBondContact N-O 2.87Å; V806-F856 PolarHBondContact O-N 3.42Å; V806-F856 VanDerWaalsContact O-N 3.11Å; V806-F896 HydrophobicContact CG1-CE2 4.06Å; V806-F896 HydrophobicContact CG1-CZ 4.23Å
807	M	92.4	Very high	82.2	Confident	52 Å²	52	40.5 Å²	40.5	26%	0.256	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.1	179.4	-57.6	176.8	-67.7	0	0	109.2	V757 S758 I760 Y805 A855	V757-M807 CarbonylContact C-O 3.5Å; V757-M807 WeakPolarHBondContact CA-O 3.25Å; V757-M807 VanDerWaalsContact CG1-O 3.32Å; V757-M807 WeakPolarHBondContact CG1-O 3.37Å; S758-M807 PolarHBondContact N-O 2.82Å; S758-M807 PolarHBondContact O-N 3.11Å; I760-M807 HydrophobicContact CD1-CE 3.87Å; I760-M807 HydrophobicContact CG1-CE 4.24Å; Y805-M807 HydrophobicContact CD1-CG 3.98Å; Y805-M807 HydrophobicContact CD1-SD 4.16Å; Y805-M807 HydrophobicContact CE1-CG 3.66Å; Y805-M807 HydrophobicContact CE1-SD 3.67Å; M807-A855 HydrophobicContact CG-CB 3.73Å
808	A	91.8	Very high	83	Confident	2 Å²	2	32.6 Å²	32.6	2%	0.017	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	134.3	173.9	0	0	0	0	0	110.2	V755 V756 V757 E814 L815 F896	V755-A808 HydrophobicContact CG1-CB 3.93Å; V756-A808 CarbonylContact O-C 3.45Å; V757-A808 HydrophobicContact CG2-CB 4.17Å; A808-E814 CarbonylContact O-C 3.41Å; A808-E814 WeakPolarHBondContact O-CA 3.37Å; A808-L815 HydrophobicContact CB-CB 4.2Å; A808-L815 HydrophobicContact CB-CD1 4.05Å; A808-L815 HydrophobicContact CB-CG 4.42Å; A808-L815 PolarHBondContact O-N 3.48Å; A808-F896 HydrophobicContact CB-CB 4.2Å; A808-F896 HydrophobicContact CB-CD1 3.77Å; A808-F896 HydrophobicContact CB-CD2 3.62Å; A808-F896 HydrophobicContact CB-CE1 3.96Å; A808-F896 HydrophobicContact CB-CE2 3.81Å; A808-F896 HydrophobicContact CB-CG 3.6Å; A808-F896 HydrophobicContact CB-CZ 3.98Å
809	N	85	Confident	83.6	Confident	34 Å²	34	28.1 Å²	28.1	18%	0.182	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133	-178.7	-167.3	-38.8	0	0	0	112.1	V755 V756 G812 E813	V755-N809 CarbonylContact C-O 3.55Å; V755-N809 WeakPolarHBondContact CG1-O 3.28Å; V756-N809 PolarHBondContact N-O 2.51Å; V756-N809 PolarHBondContact O-N 2.69Å; N809-G812 WeakPolarHBondContact OD1-CA 3.27Å; N809-G812 PolarHBondContact OD1-N 2.99Å; N809-E813 CarbonylContact C-O 3.55Å; N809-E813 WeakPolarHBondContact CA-O 3.42Å; N809-E813 PolarHBondContact OD1-N 3.04Å; N809-E813 VanDerWaalsContact OD1-N 3.11Å; N809-E813 PolarHBondContact OD1-O 3.33Å
810	L	81.8	Confident	84.4	Confident	15 Å²	15	26.7 Å²	26.7	8%	0.079	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.3	173.1	-178.6	66.1	0	0	0	109.2	V752 V755 G812 E813	V752-L810 HydrophobicContact CG1-CD2 3.85Å; V755-L810 HydrophobicContact CG1-CB 4.48Å; V755-L810 HydrophobicContact CG2-CB 4.18Å; V755-L810 HydrophobicContact CG2-CD1 4.03Å; V755-L810 HydrophobicContact CG2-CD2 4.25Å; V755-L810 HydrophobicContact CG2-CG 4.38Å; L810-G812 PolarHBondContact O-N 2.88Å; L810-G812 VanDerWaalsContact O-N 3.17Å; L810-E813 PolarHBondContact N-O 2.98Å; L810-E813 WeakPolarHBondContact O-CA 3.5Å; L810-E813 WeakPolarHBondContact O-CB 3.26Å; L810-E813 PolarHBondContact O-N 3.25Å
811	G	71.3	Confident	84.7	Confident	19 Å²	19	24.9 Å²	24.9	20%	0.196	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	25.5	176.1	0	0	0	0	0	114.6	E813 E1071 R1087	G811-E813 VanDerWaalsContact C-N 3.31Å; G811-E1071 WeakPolarHBondContact CA-OE2 3.32Å; G811-R1087 PolarHBondContact O-NH2 3.41Å
812	G	67.6	Low	84.7	Confident	29 Å²	29	31 Å²	31	30%	0.299	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	1.2	-173	0	0	0	0	0	114.6	N809 L810	N809-G812 WeakPolarHBondContact OD1-CA 3.27Å; N809-G812 PolarHBondContact OD1-N 2.99Å; L810-G812 PolarHBondContact O-N 2.88Å; L810-G812 VanDerWaalsContact O-N 3.17Å
813	E	72.1	Confident	84.6	Confident	30 Å²	30	39.3 Å²	39.3	14%	0.14	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.7	171.4	-165.2	162.3	-171.5	0	0	111.8	N809 L810 G811 R898 R1087	N809-E813 CarbonylContact C-O 3.55Å; N809-E813 WeakPolarHBondContact CA-O 3.42Å; N809-E813 PolarHBondContact OD1-N 3.04Å; N809-E813 VanDerWaalsContact OD1-N 3.11Å; N809-E813 PolarHBondContact OD1-O 3.33Å; L810-E813 PolarHBondContact N-O 2.98Å; L810-E813 WeakPolarHBondContact O-CA 3.5Å; L810-E813 WeakPolarHBondContact O-CB 3.26Å; L810-E813 PolarHBondContact O-N 3.25Å; G811-E813 VanDerWaalsContact C-N 3.31Å; E813-R898 IonicContact OE2-CZ 3.19Å; E813-R898 IonicContact OE2-NE 3.42Å; E813-R898 PolarHBondContact OE2-NE 3.26Å; E813-R898 IonicContact OE2-NH2 3.09Å; E813-R898 PolarHBondContact OE2-NH2 3.31Å; E813-R1087 IonicContact OE1-NH1 2.56Å; E813-R1087 PolarHBondContact OE1-NH1 3.36Å; E813-R1087 IonicContact OE2-CZ 3.32Å; E813-R1087 IonicContact OE2-NH1 2.83Å; E813-R1087 PolarHBondContact OE2-NH1 2.84Å; E813-R1087 IonicContact OE2-NH2 2.73Å
814	E	81.6	Confident	84.5	Confident	80 Å²	80	41.2 Å²	41.2	37%	0.374	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.3	162.5	-62	173	180	0	0	110	A808 K852 T854	A808-E814 CarbonylContact O-C 3.41Å; A808-E814 WeakPolarHBondContact O-CA 3.37Å; E814-K852 IonicContact OE1-NZ 2.75Å; E814-K852 PolarHBondContact OE1-NZ 2.91Å; E814-K852 VanDerWaalsContact OE1-NZ 3.17Å; E814-K852 WeakPolarHBondContact OE2-CD 3.43Å; E814-K852 IonicContact OE2-NZ 3.85Å; E814-K852 PolarHBondContact OE2-NZ 2.87Å; E814-T854 HydrophobicContact CB-CG2 3.5Å; E814-T854 VanDerWaalsContact CB-CG2 3.5Å; E814-T854 WeakPolarHBondContact OE2-CB 3.42Å; E814-T854 WeakPolarHBondContact OE2-CG2 3.39Å; E814-T854 PolarHBondContact OE2-OG1 2.84Å
815	L	86.9	Confident	84.4	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-78.4	155.3	177.6	-61.6	178.3	0	0	0	111.8	A740 V755 A808 T854 F896 R898	A740-L815 HydrophobicContact CB-CD1 3.88Å; V755-L815 HydrophobicContact CG1-CD1 3.61Å; V755-L815 HydrophobicContact CG2-CD1 4.18Å; A808-L815 HydrophobicContact CB-CB 4.2Å; A808-L815 HydrophobicContact CB-CD1 4.05Å; A808-L815 HydrophobicContact CB-CG 4.42Å; A808-L815 PolarHBondContact O-N 3.48Å; L815-T854 CarbonylContact O-C 3.52Å; L815-T854 VanDerWaalsContact O-CA 3.24Å; L815-T854 WeakPolarHBondContact O-CA 3.25Å; L815-F896 HydrophobicContact CB-CB 3.94Å; L815-F896 HydrophobicContact CB-CD1 4.06Å; L815-F896 HydrophobicContact CB-CG 4.36Å; L815-F896 HydrophobicContact CD1-CB 4.08Å; L815-R898 HydrophobicContact CD2-CB 3.85Å; L815-R898 HydrophobicContact CD2-CG 3.95Å
816	E	90.3	Very high	84.3	Confident	49 Å²	49	42.5 Å²	42.5	23%	0.229	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	134.9	177.4	-72.6	-160.3	-175.6	0	0	112.3	K853 F896 S897 V899	E816-K853 HydrophobicContact CG-CB 4.36Å; E816-F896 CarbonylContact O-C 3.53Å; E816-F896 WeakPolarHBondContact O-CA 3.48Å; E816-S897 PolarHBondContact N-O 2.87Å; E816-S897 PolarHBondContact O-N 2.81Å; E816-V899 HydrophobicContact CB-CG2 4.11Å; E816-V899 HydrophobicContact CG-CG2 3.58Å; E816-V899 WeakPolarHBondContact OE1-CG2 3.44Å
817	A	92.3	Very high	84	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	153.2	172.9	0	0	0	0	0	111.3	R843 K853 F856 F896	A817-R843 HydrophobicContact CB-CG 4.12Å; A817-R843 WeakPolarHBondContact O-CD 3.27Å; A817-R843 PolarHBondContact O-NH1 2.88Å; A817-K853 PolarHBondContact N-O 2.81Å; A817-F856 HydrophobicContact CB-CB 4.21Å; A817-F856 HydrophobicContact CB-CD1 3.88Å; A817-F896 HydrophobicContact CB-CD1 4.13Å; A817-F896 HydrophobicContact CB-CE1 3.79Å; A817-F896 HydrophobicContact CB-CZ 4.49Å
818	V	91.8	Very high	83.8	Confident	10 Å²	10	47.6 Å²	47.6	6%	0.061	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-60.7	139	178.7	-179.8	0	0	0	0	111.7	F746 L828 V829 Y841 R843 R895	F746-V818 HydrophobicContact CE1-CG2 4.36Å; F746-V818 HydrophobicContact CE2-CG2 4.28Å; F746-V818 HydrophobicContact CZ-CG2 3.72Å; V818-L828 HydrophobicContact CG1-CB 3.75Å; V818-V829 HydrophobicContact CB-CG2 4.37Å; V818-V829 HydrophobicContact CG1-CG2 3.84Å; V818-Y841 PolarHBondContact N-OH 2.95Å; V818-Y841 WeakPolarHBondContact O-CE1 3.45Å; V818-Y841 PolarHBondContact O-OH 2.85Å; V818-R843 WeakPolarHBondContact O-CD 3.27Å; V818-R895 HydrophobicContact CG2-CB 3.95Å
819	S	88.3	Confident	83.7	Confident	43 Å²	43	47.6 Å²	47.6	30%	0.301	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-64.2	137.7	-177.6	62.3	0	0	0	0	113.2
820	S	87.9	Confident	83.9	Confident	6 Å²	6	46.4 Å²	46.4	4%	0.042	28%	0.275	C	S	.	.			trans	-102.1	-12.7	175.9	61.2	0	0	0	0	113.4	R843 H846	S820-R843 PolarHBondContact OG-N 2.8Å; S820-R843 VanDerWaalsContact OG-N 3.09Å; S820-H846 PolarHBondContact OG-ND1 2.69Å
821	A	79.6	Confident	84.4	Confident	42 Å²	42	45.9 Å²	45.9	35%	0.347	27%	0.272	S	S	.	.	S	Bend	trans	-138	152.3	-177.8	0	0	0	0	0	110.8
822	P	75	Confident	85.1	Confident	145 Å²	145	47.4 Å²	47.4	94%	0.942	28%	0.279	S	S	*	.	S	Bend	cis	-80	-15.3	0.4	32	-35.3	0	0	0	114.3
823	K	79	Confident	85.9	Confident	175 Å²	175	49.6 Å²	49.6	76%	0.761	28%	0.281	S	S	*	.	S	Bend	trans	-129.2	119.5	177.1	-173.6	-179.9	180	-177.5	0	110	N825	K823-N825 PolarHBondContact O-N 3Å
824	L	85.5	Confident	86.4	Confident	59 Å²	59	52 Å²	52	31%	0.309	30%	0.299	S	S	.	.			trans	-69.2	121.4	175	-171.2	68.2	0	0	0	110.1	V829 L836 Y841	L824-V829 HydrophobicContact CD1-CG2 4.14Å; L824-L836 HydrophobicContact CD1-CD2 4.39Å; L824-L836 HydrophobicContact CD2-CD2 3.72Å; L824-L836 HydrophobicContact CD2-CG 4.04Å; L824-L836 HydrophobicContact CG-CD2 3.95Å; L824-Y841 HydrophobicContact CD1-CD1 3.91Å
825	N	88.1	Confident	86.5	Confident	67 Å²	67	48.2 Å²	48.2	36%	0.358	28%	0.281	S	S	.	.			trans	-111.3	106.6	179.7	-172.7	-17.4	0	0	0	111	K823 S827 L828 V829	K823-N825 PolarHBondContact O-N 3Å; N825-S827 VanDerWaalsContact C-N 3.28Å; N825-S827 PolarHBondContact O-N 3.43Å; N825-S827 PolarHBondContact OD1-N 2.9Å; N825-L828 HydrophobicContact CB-CB 4.2Å; N825-L828 HydrophobicContact CB-CD1 3.94Å; N825-L828 HydrophobicContact CB-CG 4.11Å; N825-L828 PolarHBondContact O-N 3.31Å; N825-L828 VanDerWaalsContact O-N 3.15Å; N825-V829 WeakPolarHBondContact O-CG2 3.5Å; N825-V829 PolarHBondContact O-N 3.1Å; N825-V829 VanDerWaalsContact O-N 3.09Å
826	P	87.8	Confident	86.5	Confident	31 Å²	31	48.1 Å²	48.1	20%	0.201	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-37.7	-176	-27.2	39	0	0	0	113.3	L828 V829 G830 V831 Q833 L836	P826-L828 VanDerWaalsContact C-N 3.32Å; P826-L828 PolarHBondContact O-N 3.08Å; P826-V829 PolarHBondContact O-N 3.3Å; P826-G830 PolarHBondContact O-N 3.19Å; P826-V831 WeakPolarHBondContact CB-O 3.23Å; P826-V831 PolarHBondContact O-N 2.87Å; P826-Q833 HydrophobicContact CG-CB 4.15Å; P826-Q833 HydrophobicContact CG-CG 4.49Å; P826-L836 HydrophobicContact CB-CD2 4.21Å; P826-L836 HydrophobicContact CG-CD2 4.21Å
827	S	87.6	Confident	86.2	Confident	92 Å²	92	54.8 Å²	54.8	64%	0.643	30%	0.304	S	S	*	.	H	α-helix	trans	-67.7	-31.4	-179.2	-53.8	0	0	0	0	112.8	N825 R895	N825-S827 VanDerWaalsContact C-N 3.28Å; N825-S827 PolarHBondContact O-N 3.43Å; N825-S827 PolarHBondContact OD1-N 2.9Å; S827-R895 PolarHBondContact O-NH1 2.91Å
828	L	88.8	Confident	85.8	Confident	67 Å²	67	57.6 Å²	57.6	35%	0.351	32%	0.316	S	S	.	.	H	α-helix	trans	-77.9	-43.6	175.1	-66.4	177	0	0	0	110.9	F746 V818 N825 P826 G830 R895	F746-L828 HydrophobicContact CD2-CD2 4.23Å; F746-L828 HydrophobicContact CE2-CB 4.41Å; F746-L828 HydrophobicContact CE2-CD2 3.97Å; V818-L828 HydrophobicContact CG1-CB 3.75Å; N825-L828 HydrophobicContact CB-CB 4.2Å; N825-L828 HydrophobicContact CB-CD1 3.94Å; N825-L828 HydrophobicContact CB-CG 4.11Å; N825-L828 PolarHBondContact O-N 3.31Å; N825-L828 VanDerWaalsContact O-N 3.15Å; P826-L828 VanDerWaalsContact C-N 3.32Å; P826-L828 PolarHBondContact O-N 3.08Å; L828-G830 PolarHBondContact O-N 2.84Å; L828-R895 PolarHBondContact O-NH1 2.93Å
829	V	90.7	Very high	85.6	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-30.4	177.8	178.5	0	0	0	0	111.3	V818 L824 N825 P826 V831 L836 Y841 H893 F894	V818-V829 HydrophobicContact CB-CG2 4.37Å; V818-V829 HydrophobicContact CG1-CG2 3.84Å; L824-V829 HydrophobicContact CD1-CG2 4.14Å; N825-V829 WeakPolarHBondContact O-CG2 3.5Å; N825-V829 PolarHBondContact O-N 3.1Å; N825-V829 VanDerWaalsContact O-N 3.09Å; P826-V829 PolarHBondContact O-N 3.3Å; V829-V831 HydrophobicContact CG1-CB 4.37Å; V829-V831 HydrophobicContact CG1-CG2 4.1Å; V829-L836 HydrophobicContact CB-CD2 4.49Å; V829-L836 HydrophobicContact CG1-CD1 3.92Å; V829-Y841 HydrophobicContact CG1-CD2 4.18Å; V829-Y841 HydrophobicContact CG1-CE2 4.23Å; V829-Y841 HydrophobicContact CG1-CG 4.35Å; V829-Y841 HydrophobicContact CG2-CD1 4.34Å; V829-Y841 HydrophobicContact CG2-CE1 4.18Å; V829-H893 VanDerWaalsContact O-O 3.05Å; V829-F894 HydrophobicContact CG1-CD1 3.98Å; V829-F894 HydrophobicContact CG1-CE1 4.13Å
830	G	89.2	Confident	85.7	Confident	10 Å²	10	58.1 Å²	58.1	10%	0.103	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	19.8	179.7	0	0	0	0	0	113.6	P826 L828 A892 H893	P826-G830 PolarHBondContact O-N 3.19Å; L828-G830 PolarHBondContact O-N 2.84Å; G830-A892 CarbonylContact O-C 3.57Å; G830-A892 VanDerWaalsContact O-CA 3.3Å; G830-A892 WeakPolarHBondContact O-CA 3.34Å; G830-H893 CarbonylContact C-O 3.56Å; G830-H893 VanDerWaalsContact CA-O 3.28Å; G830-H893 WeakPolarHBondContact CA-O 3.06Å; G830-H893 PolarHBondContact O-N 3.28Å; G830-H893 VanDerWaalsContact O-O 3.12Å
831	V	90.6	Very high	85.8	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.018	32%	0.315	C	S	.	.	S	Bend	trans	-131.3	132.7	-175.3	-178.5	0	0	0	0	110.6	P826 V829 L836 L839 P874 F894	P826-V831 WeakPolarHBondContact CB-O 3.23Å; P826-V831 PolarHBondContact O-N 2.87Å; V829-V831 HydrophobicContact CG1-CB 4.37Å; V829-V831 HydrophobicContact CG1-CG2 4.1Å; V831-L836 HydrophobicContact CB-CB 4.37Å; V831-L836 HydrophobicContact CB-CD1 4.16Å; V831-L836 HydrophobicContact CG1-CB 3.96Å; V831-L836 HydrophobicContact CG1-CD1 4.29Å; V831-L839 HydrophobicContact CG1-CD1 4.14Å; V831-P874 HydrophobicContact CB-CG 4.45Å; V831-P874 HydrophobicContact CG1-CG 3.93Å; V831-P874 HydrophobicContact CG2-CB 4.08Å; V831-P874 HydrophobicContact CG2-CG 3.66Å; V831-F894 HydrophobicContact CG2-CD1 4Å; V831-F894 HydrophobicContact CG2-CE1 3.73Å; V831-F894 HydrophobicContact CG2-CZ 4.1Å
832	P	87.7	Confident	86.3	Confident	52 Å²	52	60.3 Å²	60.3	34%	0.338	31%	0.313	S	S	.	.			trans	-58.3	145.4	176.8	-24.9	33.5	0	0	0	113.6	Y835 L836 A892	P832-Y835 PolarHBondContact O-N 3.36Å; P832-L836 VanDerWaalsContact O-CB 3.31Å; P832-L836 WeakPolarHBondContact O-CB 3.3Å; P832-L836 PolarHBondContact O-N 2.87Å; P832-A892 HydrophobicContact CG-CB 4.34Å
833	Q	83.4	Confident	87.1	Confident	75 Å²	75	54.6 Å²	54.6	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-59.3	-40.4	-172.9	-174.9	69.4	-18.7	0	0	115.2	P826 Y835 R837	P826-Q833 HydrophobicContact CG-CB 4.15Å; P826-Q833 HydrophobicContact CG-CG 4.49Å; Q833-Y835 VanDerWaalsContact C-N 3.32Å; Q833-Y835 PolarHBondContact O-N 2.78Å; Q833-R837 PolarHBondContact O-N 3.25Å
834	P	81.4	Confident	87.5	Confident	79 Å²	79	47.7 Å²	47.7	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-40	179.4	-28.6	42.8	0	0	0	111.9	E869	P834-E869 WeakPolarHBondContact CB-OE2 3.37Å; P834-E869 WeakPolarHBondContact CG-OE2 3.28Å
835	Y	84.9	Confident	87.6	Confident	1 Å²	1	46 Å²	46	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-78.4	-38.7	178.9	-162.7	-170.5	0	0	0	112.5	P832 Q833 R837 K838 L839 A861 E870 P874 V875	P832-Y835 PolarHBondContact O-N 3.36Å; Q833-Y835 VanDerWaalsContact C-N 3.32Å; Q833-Y835 PolarHBondContact O-N 2.78Å; Y835-R837 PolarHBondContact O-N 3.38Å; Y835-R837 VanDerWaalsContact O-N 3.15Å; Y835-K838 HydrophobicContact CD2-CB 4.17Å; Y835-K838 HydrophobicContact CD2-CD 4.04Å; Y835-K838 HydrophobicContact CE2-CD 4Å; Y835-K838 VanDerWaalsContact O-CB 3.31Å; Y835-K838 WeakPolarHBondContact O-CB 3.48Å; Y835-K838 PolarHBondContact O-N 3.45Å; Y835-L839 HydrophobicContact CD1-CD1 4.49Å; Y835-L839 HydrophobicContact CD2-CD1 4.22Å; Y835-L839 HydrophobicContact CD2-CD2 4.26Å; Y835-L839 HydrophobicContact CD2-CG 4.01Å; Y835-L839 HydrophobicContact CE2-CD1 4.25Å; Y835-L839 HydrophobicContact CE2-CD2 3.72Å; Y835-L839 HydrophobicContact CE2-CG 3.97Å; Y835-L839 HydrophobicContact CG-CD1 4.33Å; Y835-L839 WeakPolarHBondContact O-CG 3.13Å; Y835-L839 PolarHBondContact O-N 2.82Å; Y835-L839 VanDerWaalsContact O-N 3.15Å; Y835-A861 HydrophobicContact CE2-CB 4.46Å; Y835-A861 PolarHBondContact OH-O 2.88Å; Y835-E870 HydrophobicContact CD1-CB 4.31Å; Y835-E870 HydrophobicContact CD1-CG 4.11Å; Y835-E870 HydrophobicContact CD2-CG 4.01Å; Y835-E870 HydrophobicContact CE1-CB 4.18Å; Y835-E870 HydrophobicContact CE1-CG 4.3Å; Y835-E870 HydrophobicContact CE2-CG 4.23Å; Y835-E870 HydrophobicContact CG-CG 3.98Å; Y835-P874 HydrophobicContact CE1-CG 4.38Å; Y835-V875 VanDerWaalsContact OH-CB 3.29Å; Y835-V875 WeakPolarHBondContact OH-CB 3.17Å
836	L	87.3	Confident	87.5	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-33.5	-180	-175.5	58.4	0	0	0	113	L824 P826 V829 V831 P832 L839 N840 Y841	L824-L836 HydrophobicContact CD1-CD2 4.39Å; L824-L836 HydrophobicContact CD2-CD2 3.72Å; L824-L836 HydrophobicContact CD2-CG 4.04Å; L824-L836 HydrophobicContact CG-CD2 3.95Å; P826-L836 HydrophobicContact CB-CD2 4.21Å; P826-L836 HydrophobicContact CG-CD2 4.21Å; V829-L836 HydrophobicContact CB-CD2 4.49Å; V829-L836 HydrophobicContact CG1-CD1 3.92Å; V831-L836 HydrophobicContact CB-CB 4.37Å; V831-L836 HydrophobicContact CB-CD1 4.16Å; V831-L836 HydrophobicContact CG1-CB 3.96Å; V831-L836 HydrophobicContact CG1-CD1 4.29Å; P832-L836 VanDerWaalsContact O-CB 3.31Å; P832-L836 WeakPolarHBondContact O-CB 3.3Å; P832-L836 PolarHBondContact O-N 2.87Å; L836-L839 PolarHBondContact O-N 3.5Å; L836-N840 PolarHBondContact O-N 2.74Å; L836-Y841 HydrophobicContact CD1-CG 4.31Å
837	R	84.1	Confident	87.2	Confident	189 Å²	189	52.7 Å²	52.7	71%	0.713	26%	0.263	S	S	*	.	H	α-helix	trans	-65.7	-40.6	174.2	-74.7	-179.6	175.6	176.6	-1.8	112.7	Q833 Y835 L839 N840	Q833-R837 PolarHBondContact O-N 3.25Å; Y835-R837 PolarHBondContact O-N 3.38Å; Y835-R837 VanDerWaalsContact O-N 3.15Å; R837-L839 VanDerWaalsContact C-N 3.28Å; R837-L839 PolarHBondContact O-N 2.84Å; R837-N840 PolarHBondContact O-N 2.96Å
838	K	84.1	Confident	86.9	Confident	60 Å²	60	51 Å²	51	26%	0.261	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-35.7	177	-165.9	-176.3	-173.5	-171.7	0	111.3	P799 Y835 A861 E870	P799-K838 HydrophobicContact CB-CG 4.15Å; P799-K838 HydrophobicContact CG-CG 4.27Å; Y835-K838 HydrophobicContact CD2-CB 4.17Å; Y835-K838 HydrophobicContact CD2-CD 4.04Å; Y835-K838 HydrophobicContact CE2-CD 4Å; Y835-K838 VanDerWaalsContact O-CB 3.31Å; Y835-K838 WeakPolarHBondContact O-CB 3.48Å; Y835-K838 PolarHBondContact O-N 3.45Å; K838-A861 HydrophobicContact CD-CB 3.85Å; K838-A861 HydrophobicContact CG-CB 3.92Å; K838-E870 WeakPolarHBondContact CD-OE1 3.5Å; K838-E870 VanDerWaalsContact NZ-CD 3.31Å; K838-E870 IonicContact NZ-OE1 3.16Å; K838-E870 PolarHBondContact NZ-OE1 2.87Å; K838-E870 IonicContact NZ-OE2 3.5Å; K838-E870 PolarHBondContact NZ-OE2 3.09Å
839	L	87.7	Confident	86.5	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-79.6	-12.9	-179.3	-57.9	175.5	0	0	0	113.8	V831 Y835 L836 R837 Y841 I858 N859 A861 P874 V875 F894	V831-L839 HydrophobicContact CG1-CD1 4.14Å; Y835-L839 HydrophobicContact CD1-CD1 4.49Å; Y835-L839 HydrophobicContact CD2-CD1 4.22Å; Y835-L839 HydrophobicContact CD2-CD2 4.26Å; Y835-L839 HydrophobicContact CD2-CG 4.01Å; Y835-L839 HydrophobicContact CE2-CD1 4.25Å; Y835-L839 HydrophobicContact CE2-CD2 3.72Å; Y835-L839 HydrophobicContact CE2-CG 3.97Å; Y835-L839 HydrophobicContact CG-CD1 4.33Å; Y835-L839 WeakPolarHBondContact O-CG 3.13Å; Y835-L839 PolarHBondContact O-N 2.82Å; Y835-L839 VanDerWaalsContact O-N 3.15Å; L836-L839 PolarHBondContact O-N 3.5Å; R837-L839 VanDerWaalsContact C-N 3.28Å; R837-L839 PolarHBondContact O-N 2.84Å; L839-Y841 VanDerWaalsContact C-N 3.31Å; L839-Y841 PolarHBondContact O-N 3.25Å; L839-I858 CarbonylContact O-C 3.57Å; L839-I858 VanDerWaalsContact O-CA 3.31Å; L839-I858 WeakPolarHBondContact O-CA 3.2Å; L839-N859 WeakPolarHBondContact CD2-O 3.29Å; L839-N859 PolarHBondContact O-N 2.75Å; L839-A861 HydrophobicContact CD2-CB 4.17Å; L839-P874 HydrophobicContact CD1-CG 3.76Å; L839-V875 HydrophobicContact CD2-CG2 4.2Å; L839-F894 HydrophobicContact CD1-CZ 3.82Å
840	N	88.4	Confident	85.8	Confident	64 Å²	64	62.5 Å²	62.5	34%	0.342	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	50.3	178.3	-176.1	36.9	0	0	0	113.2	L836 R837 R842	L836-N840 PolarHBondContact O-N 2.74Å; R837-N840 PolarHBondContact O-N 2.96Å; N840-R842 PolarHBondContact O-N 3.16Å; N840-R842 PolarHBondContact OD1-NE 2.55Å; N840-R842 VanDerWaalsContact OD1-NE 3.12Å; N840-R842 PolarHBondContact OD1-NH2 3.42Å
841	Y	91.7	Very high	85.4	Confident	11 Å²	11	65.3 Å²	65.3	4%	0.043	32%	0.316	C	S	.	.			trans	-59	123.7	-177.5	177	-89.8	0	0	0	112.2	V818 L824 V829 L836 L839 F856 S857 I858 F894	V818-Y841 PolarHBondContact N-OH 2.95Å; V818-Y841 WeakPolarHBondContact O-CE1 3.45Å; V818-Y841 PolarHBondContact O-OH 2.85Å; L824-Y841 HydrophobicContact CD1-CD1 3.91Å; V829-Y841 HydrophobicContact CG1-CD2 4.18Å; V829-Y841 HydrophobicContact CG1-CE2 4.23Å; V829-Y841 HydrophobicContact CG1-CG 4.35Å; V829-Y841 HydrophobicContact CG2-CD1 4.34Å; V829-Y841 HydrophobicContact CG2-CE1 4.18Å; L836-Y841 HydrophobicContact CD1-CG 4.31Å; L839-Y841 VanDerWaalsContact C-N 3.31Å; L839-Y841 PolarHBondContact O-N 3.25Å; Y841-F856 HydrophobicContact CD2-CB 4.28Å; Y841-F856 AromaticContact CD2-CD2 3.8Å; Y841-F856 HydrophobicContact CD2-CD2 3.8Å; Y841-F856 HydrophobicContact CD2-CE2 4.36Å; Y841-F856 HydrophobicContact CD2-CG 4.14Å; Y841-F856 HydrophobicContact CE2-CB 3.52Å; Y841-F856 AromaticContact CE2-CD1 3.9Å; Y841-F856 HydrophobicContact CE2-CD1 3.9Å; Y841-F856 AromaticContact CE2-CD2 3.46Å; Y841-F856 HydrophobicContact CE2-CD2 3.46Å; Y841-F856 VanDerWaalsContact CE2-CD2 3.46Å; Y841-F856 HydrophobicContact CE2-CE1 4.45Å; Y841-F856 HydrophobicContact CE2-CE2 4.09Å; Y841-F856 AromaticContact CE2-CG 3.35Å; Y841-F856 HydrophobicContact CE2-CG 3.35Å; Y841-F856 AromaticContact CZ-CG 4Å; Y841-S857 WeakPolarHBondContact CA-O 3.4Å; Y841-I858 HydrophobicContact CD2-CG2 3.86Å; Y841-F894 HydrophobicContact CD2-CD1 4Å; Y841-F894 AromaticContact CD2-CE1 3.72Å; Y841-F894 HydrophobicContact CD2-CE1 3.72Å; Y841-F894 HydrophobicContact CE2-CD1 4.03Å; Y841-F894 HydrophobicContact CE2-CE1 4.23Å
842	R	90.3	Very high	84.8	Confident	83 Å²	83	71.4 Å²	71.4	31%	0.313	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.3	175.9	-63.8	177.8	-171.5	-159.2	1.4	110.6	N840 H846 E847 F856 S857	N840-R842 PolarHBondContact O-N 3.16Å; N840-R842 PolarHBondContact OD1-NE 2.55Å; N840-R842 VanDerWaalsContact OD1-NE 3.12Å; N840-R842 PolarHBondContact OD1-NH2 3.42Å; R842-H846 HydrophobicContact CB-CB 4.36Å; R842-E847 IonicContact NH1-OE1 2.66Å; R842-F856 CarbonylContact O-C 3.6Å; R842-F856 WeakPolarHBondContact O-CA 3.25Å; R842-S857 PolarHBondContact N-O 2.79Å; R842-S857 PolarHBondContact O-N 2.97Å; R842-S857 PolarHBondContact O-OG 2.92Å
843	R	91.8	Very high	84.8	Confident	26 Å²	26	73 Å²	73	10%	0.098	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	152.8	168	-166.8	167.5	68.8	174.9	5.9	109.4	A817 V818 S820 D845 H846 A855	A817-R843 HydrophobicContact CB-CG 4.12Å; A817-R843 WeakPolarHBondContact O-CD 3.27Å; A817-R843 PolarHBondContact O-NH1 2.88Å; V818-R843 WeakPolarHBondContact O-CD 3.27Å; S820-R843 PolarHBondContact OG-N 2.8Å; S820-R843 VanDerWaalsContact OG-N 3.09Å; R843-D845 WeakPolarHBondContact CB-OD1 3.29Å; R843-D845 WeakPolarHBondContact CG-OD1 3.31Å; R843-D845 IonicContact CZ-OD1 3.96Å; R843-D845 IonicContact CZ-OD2 2.79Å; R843-D845 IonicContact NE-OD1 2.95Å; R843-D845 PolarHBondContact NE-OD1 2.91Å; R843-D845 IonicContact NE-OD2 3.5Å; R843-D845 PolarHBondContact NE-OD2 2.61Å; R843-D845 IonicContact NH2-OD1 3.93Å; R843-D845 PolarHBondContact NH2-OD1 2.83Å; R843-D845 IonicContact NH2-OD2 2.98Å; R843-D845 PolarHBondContact NH2-OD2 3.32Å; R843-D845 PolarHBondContact O-N 2.75Å; R843-D845 VanDerWaalsContact O-N 3.14Å; R843-H846 WeakPolarHBondContact O-CB 3.36Å; R843-H846 PolarHBondContact O-N 3.24Å; R843-A855 WeakPolarHBondContact CG-O 3.26Å
844	T	86.8	Confident	84.9	Confident	29 Å²	29	70.4 Å²	70.4	18%	0.178	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-31.8	177.9	36.8	0	0	0	0	115.5	Y805 H846 K852 A855	Y805-T844 HydrophobicContact CE2-CG2 3.65Å; Y805-T844 WeakPolarHBondContact OH-CG2 3.4Å; T844-H846 VanDerWaalsContact C-N 3.32Å; T844-K852 WeakPolarHBondContact CB-O 3.02Å; T844-K852 PolarHBondContact OG1-O 2.73Å; T844-A855 HydrophobicContact CG2-CB 3.71Å; T844-A855 WeakPolarHBondContact CG2-O 3.45Å; T844-A855 PolarHBondContact N-O 2.88Å; T844-A855 VanDerWaalsContact N-O 3.1Å; T844-A855 PolarHBondContact OG1-O 2.82Å
845	D	86.3	Confident	85.4	Confident	25 Å²	25	66.7 Å²	66.7	13%	0.134	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	9.5	179.5	73.7	-28.8	0	0	0	113.9	R843 E847 D848 K853	R843-D845 WeakPolarHBondContact CB-OD1 3.29Å; R843-D845 WeakPolarHBondContact CG-OD1 3.31Å; R843-D845 IonicContact CZ-OD1 3.96Å; R843-D845 IonicContact CZ-OD2 2.79Å; R843-D845 IonicContact NE-OD1 2.95Å; R843-D845 PolarHBondContact NE-OD1 2.91Å; R843-D845 IonicContact NE-OD2 3.5Å; R843-D845 PolarHBondContact NE-OD2 2.61Å; R843-D845 IonicContact NH2-OD1 3.93Å; R843-D845 PolarHBondContact NH2-OD1 2.83Å; R843-D845 IonicContact NH2-OD2 2.98Å; R843-D845 PolarHBondContact NH2-OD2 3.32Å; R843-D845 PolarHBondContact O-N 2.75Å; R843-D845 VanDerWaalsContact O-N 3.14Å; D845-E847 VanDerWaalsContact C-N 3.29Å; D845-E847 PolarHBondContact O-N 2.88Å; D845-D848 WeakPolarHBondContact CA-O 3.34Å; D845-K853 HydrophobicContact CB-CG 4.29Å
846	H	86.8	Confident	85.8	Confident	77 Å²	77	66.6 Å²	66.6	36%	0.356	31%	0.308	S	S	.	.	S	Bend	trans	-61	-36.6	-176.3	-171.3	89.5	0	0	0	112.9	S820 R842 R843 T844	S820-H846 PolarHBondContact OG-ND1 2.69Å; R842-H846 HydrophobicContact CB-CB 4.36Å; R843-H846 WeakPolarHBondContact O-CB 3.36Å; R843-H846 PolarHBondContact O-N 3.24Å; T844-H846 VanDerWaalsContact C-N 3.32Å
847	E	81.4	Confident	85.9	Confident	160 Å²	160	67.9 Å²	67.9	75%	0.748	32%	0.317	S	S	*	.	S	Bend	trans	-101.1	-38.2	-179	-65.1	-179.5	-174.2	0	0	112.6	R842 D845	R842-E847 IonicContact NH1-OE1 2.66Å; D845-E847 VanDerWaalsContact C-N 3.29Å; D845-E847 PolarHBondContact O-N 2.88Å
848	D	81.8	Confident	86.3	Confident	56 Å²	56	59 Å²	59	30%	0.299	28%	0.284	S	S	.	.			trans	-129	114.9	176.2	-174.2	-13.7	0	0	0	110.2	D845 R850 V851	D845-D848 WeakPolarHBondContact CA-O 3.34Å; D848-R850 PolarHBondContact O-N 2.87Å; D848-R850 VanDerWaalsContact O-N 3.08Å; D848-R850 VanDerWaalsContact OD1-CB 3.28Å; D848-R850 WeakPolarHBondContact OD1-CB 3.44Å; D848-R850 WeakPolarHBondContact OD1-CG 3.4Å; D848-R850 IonicContact OD1-CZ 3.79Å; D848-R850 PolarHBondContact OD1-N 3.05Å; D848-R850 IonicContact OD1-NE 3.34Å; D848-R850 PolarHBondContact OD1-NE 2.89Å; D848-R850 VanDerWaalsContact OD1-NE 3.11Å; D848-R850 IonicContact OD1-NH2 3.79Å; D848-R850 IonicContact OD2-CZ 3.1Å; D848-R850 IonicContact OD2-NE 3.41Å; D848-R850 PolarHBondContact OD2-NE 3.04Å; D848-R850 IonicContact OD2-NH2 3.41Å; D848-R850 PolarHBondContact OD2-NH2 2.87Å; D848-V851 HydrophobicContact CB-CG2 3.98Å; D848-V851 PolarHBondContact O-N 2.66Å; D848-V851 VanDerWaalsContact O-N 3.14Å
849	S	80.3	Confident	86.5	Confident	100 Å²	100	57.7 Å²	57.7	70%	0.699	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-10	-178.6	60	0	0	0	0	114.4
850	R	75.3	Confident	86.5	Confident	211 Å²	211	57.7 Å²	57.7	80%	0.796	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-14.1	177.1	-59.9	175.5	-66	173.1	4.7	113.2	D848	D848-R850 PolarHBondContact O-N 2.87Å; D848-R850 VanDerWaalsContact O-N 3.08Å; D848-R850 VanDerWaalsContact OD1-CB 3.28Å; D848-R850 WeakPolarHBondContact OD1-CB 3.44Å; D848-R850 WeakPolarHBondContact OD1-CG 3.4Å; D848-R850 IonicContact OD1-CZ 3.79Å; D848-R850 PolarHBondContact OD1-N 3.05Å; D848-R850 IonicContact OD1-NE 3.34Å; D848-R850 PolarHBondContact OD1-NE 2.89Å; D848-R850 VanDerWaalsContact OD1-NE 3.11Å; D848-R850 IonicContact OD1-NH2 3.79Å; D848-R850 IonicContact OD2-CZ 3.1Å; D848-R850 IonicContact OD2-NE 3.41Å; D848-R850 PolarHBondContact OD2-NE 3.04Å; D848-R850 IonicContact OD2-NH2 3.41Å; D848-R850 PolarHBondContact OD2-NH2 2.87Å
851	V	81.1	Confident	86.3	Confident	68 Å²	68	54.7 Å²	54.7	41%	0.412	26%	0.264	S	S	.	.	S	Bend	trans	-73.3	146.1	177	-177.8	0	0	0	0	109.4	D848	D848-V851 HydrophobicContact CB-CG2 3.98Å; D848-V851 PolarHBondContact O-N 2.66Å; D848-V851 VanDerWaalsContact O-N 3.14Å
852	K	78.3	Confident	85.9	Confident	132 Å²	132	57.3 Å²	57.3	57%	0.574	28%	0.276	S	S	*	.			trans	-53.2	143.8	176.8	-65.6	-174.6	174.4	-173.8	0	110.9	E814 T844 T854	E814-K852 IonicContact OE1-NZ 2.75Å; E814-K852 PolarHBondContact OE1-NZ 2.91Å; E814-K852 VanDerWaalsContact OE1-NZ 3.17Å; E814-K852 WeakPolarHBondContact OE2-CD 3.43Å; E814-K852 IonicContact OE2-NZ 3.85Å; E814-K852 PolarHBondContact OE2-NZ 2.87Å; T844-K852 WeakPolarHBondContact CB-O 3.02Å; T844-K852 PolarHBondContact OG1-O 2.73Å; K852-T854 VanDerWaalsContact C-N 3.27Å; K852-T854 HydrophobicContact CB-CG2 4.45Å; K852-T854 PolarHBondContact O-N 2.83Å
853	K	87.2	Confident	85.6	Confident	84 Å²	84	54.2 Å²	54.2	37%	0.365	27%	0.266	S	S	.	.	S	Bend	trans	-90.9	19.3	-177.8	-58.3	172.1	-174.2	167	0	113.8	E816 A817 D845	E816-K853 HydrophobicContact CG-CB 4.36Å; A817-K853 PolarHBondContact N-O 2.81Å; D845-K853 HydrophobicContact CB-CG 4.29Å
854	T	86.5	Confident	85	Confident	22 Å²	22	55 Å²	55	14%	0.135	28%	0.275	C	S	.	.	S	Bend	trans	-94.6	3.4	-159.9	48.9	0	0	0	0	114.8	E814 L815 K852	E814-T854 HydrophobicContact CB-CG2 3.5Å; E814-T854 VanDerWaalsContact CB-CG2 3.5Å; E814-T854 WeakPolarHBondContact OE2-CB 3.42Å; E814-T854 WeakPolarHBondContact OE2-CG2 3.39Å; E814-T854 PolarHBondContact OE2-OG1 2.84Å; L815-T854 CarbonylContact O-C 3.52Å; L815-T854 VanDerWaalsContact O-CA 3.24Å; L815-T854 WeakPolarHBondContact O-CA 3.25Å; K852-T854 VanDerWaalsContact C-N 3.27Å; K852-T854 HydrophobicContact CB-CG2 4.45Å; K852-T854 PolarHBondContact O-N 2.83Å
855	A	90.7	Very high	84.2	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	164.1	-177.9	0	0	0	0	0	111.3	Y805 V806 M807 R843 T844	Y805-A855 HydrophobicContact CD1-CB 4.48Å; Y805-A855 HydrophobicContact CE1-CB 3.69Å; Y805-A855 HydrophobicContact CE2-CB 3.94Å; Y805-A855 WeakPolarHBondContact OH-CB 3.43Å; V806-A855 VanDerWaalsContact O-CA 3.25Å; V806-A855 WeakPolarHBondContact O-CA 3.4Å; V806-A855 VanDerWaalsContact O-CB 3.28Å; V806-A855 WeakPolarHBondContact O-CB 3.42Å; M807-A855 HydrophobicContact CG-CB 3.73Å; R843-A855 WeakPolarHBondContact CG-O 3.26Å; T844-A855 HydrophobicContact CG2-CB 3.71Å; T844-A855 WeakPolarHBondContact CG2-O 3.45Å; T844-A855 PolarHBondContact N-O 2.88Å; T844-A855 VanDerWaalsContact N-O 3.1Å; T844-A855 PolarHBondContact OG1-O 2.82Å
856	F	93.2	Very high	83.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	161.5	171.6	67.3	-99.6	0	0	0	111	V806 A817 Y841 R842 I858 F894 F896	V806-F856 HydrophobicContact CB-CD1 4.43Å; V806-F856 HydrophobicContact CB-CD2 4.31Å; V806-F856 HydrophobicContact CB-CE1 3.97Å; V806-F856 HydrophobicContact CB-CE2 3.81Å; V806-F856 HydrophobicContact CB-CZ 3.62Å; V806-F856 HydrophobicContact CG1-CE1 4.11Å; V806-F856 HydrophobicContact CG1-CZ 3.87Å; V806-F856 HydrophobicContact CG2-CD2 4.44Å; V806-F856 HydrophobicContact CG2-CE2 3.75Å; V806-F856 HydrophobicContact CG2-CZ 3.9Å; V806-F856 PolarHBondContact N-O 2.87Å; V806-F856 PolarHBondContact O-N 3.42Å; V806-F856 VanDerWaalsContact O-N 3.11Å; A817-F856 HydrophobicContact CB-CB 4.21Å; A817-F856 HydrophobicContact CB-CD1 3.88Å; Y841-F856 HydrophobicContact CD2-CB 4.28Å; Y841-F856 AromaticContact CD2-CD2 3.8Å; Y841-F856 HydrophobicContact CD2-CD2 3.8Å; Y841-F856 HydrophobicContact CD2-CE2 4.36Å; Y841-F856 HydrophobicContact CD2-CG 4.14Å; Y841-F856 HydrophobicContact CE2-CB 3.52Å; Y841-F856 AromaticContact CE2-CD1 3.9Å; Y841-F856 HydrophobicContact CE2-CD1 3.9Å; Y841-F856 AromaticContact CE2-CD2 3.46Å; Y841-F856 HydrophobicContact CE2-CD2 3.46Å; Y841-F856 VanDerWaalsContact CE2-CD2 3.46Å; Y841-F856 HydrophobicContact CE2-CE1 4.45Å; Y841-F856 HydrophobicContact CE2-CE2 4.09Å; Y841-F856 AromaticContact CE2-CG 3.35Å; Y841-F856 HydrophobicContact CE2-CG 3.35Å; Y841-F856 AromaticContact CZ-CG 4Å; R842-F856 CarbonylContact O-C 3.6Å; R842-F856 WeakPolarHBondContact O-CA 3.25Å; F856-I858 HydrophobicContact CD2-CG2 3.89Å; F856-I858 HydrophobicContact CE2-CD1 4.39Å; F856-I858 HydrophobicContact CE2-CG1 4.44Å; F856-I858 HydrophobicContact CE2-CG2 3.91Å; F856-F894 HydrophobicContact CE1-CB 4Å; F856-F894 HydrophobicContact CE1-CG 4.41Å; F856-F894 HydrophobicContact CE2-CB 4.41Å; F856-F894 HydrophobicContact CE2-CD1 4.02Å; F856-F894 HydrophobicContact CE2-CD2 4.26Å; F856-F894 HydrophobicContact CE2-CE1 4.35Å; F856-F894 AromaticContact CE2-CG 3.97Å; F856-F894 HydrophobicContact CE2-CG 3.97Å; F856-F894 HydrophobicContact CZ-CB 3.55Å; F856-F894 AromaticContact CZ-CD1 3.98Å; F856-F894 HydrophobicContact CZ-CD1 3.98Å; F856-F894 HydrophobicContact CZ-CD2 4.06Å; F856-F894 AromaticContact CZ-CG 3.59Å; F856-F894 HydrophobicContact CZ-CG 3.59Å; F856-F896 HydrophobicContact CD1-CE1 4.3Å; F856-F896 HydrophobicContact CD1-CE2 4.08Å; F856-F896 AromaticContact CD1-CZ 3.65Å; F856-F896 HydrophobicContact CD1-CZ 3.65Å; F856-F896 HydrophobicContact CE1-CD2 4.36Å; F856-F896 HydrophobicContact CE1-CE1 4.45Å; F856-F896 AromaticContact CE1-CE2 3.44Å; F856-F896 HydrophobicContact CE1-CE2 3.44Å; F856-F896 VanDerWaalsContact CE1-CE2 3.44Å; F856-F896 AromaticContact CE1-CZ 3.49Å; F856-F896 HydrophobicContact CE1-CZ 3.49Å; F856-F896 VanDerWaalsContact CE1-CZ 3.49Å; F856-F896 HydrophobicContact CZ-CE2 4.4Å
857	S	91.3	Very high	83.2	Confident	28 Å²	28	63 Å²	63	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	143.6	175.2	60.2	0	0	0	0	111.1	A804 Y841 R842	A804-S857 CarbonylContact O-C 3.32Å; A804-S857 VanDerWaalsContact O-CA 3.22Å; A804-S857 WeakPolarHBondContact O-CA 3.45Å; Y841-S857 WeakPolarHBondContact CA-O 3.4Å; R842-S857 PolarHBondContact N-O 2.79Å; R842-S857 PolarHBondContact O-N 2.97Å; R842-S857 PolarHBondContact O-OG 2.92Å
858	I	91.4	Very high	82.8	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.01	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.6	177	56.7	172.2	0	0	0	110.6	V736 S803 A804 L839 Y841 F856 F894	V736-I858 HydrophobicContact CG1-CD1 4.13Å; S803-I858 CarbonylContact C-O 3.46Å; S803-I858 WeakPolarHBondContact CA-O 3.38Å; S803-I858 WeakPolarHBondContact CB-O 3.34Å; A804-I858 HydrophobicContact CB-CG1 4.04Å; A804-I858 PolarHBondContact N-O 2.83Å; A804-I858 PolarHBondContact O-N 2.81Å; L839-I858 CarbonylContact O-C 3.57Å; L839-I858 VanDerWaalsContact O-CA 3.31Å; L839-I858 WeakPolarHBondContact O-CA 3.2Å; Y841-I858 HydrophobicContact CD2-CG2 3.86Å; F856-I858 HydrophobicContact CD2-CG2 3.89Å; F856-I858 HydrophobicContact CE2-CD1 4.39Å; F856-I858 HydrophobicContact CE2-CG1 4.44Å; F856-I858 HydrophobicContact CE2-CG2 3.91Å; I858-F894 HydrophobicContact CD1-CE2 3.66Å; I858-F894 HydrophobicContact CD1-CZ 3.88Å; I858-F894 HydrophobicContact CG2-CE1 3.99Å; I858-F894 HydrophobicContact CG2-CZ 3.77Å
859	N	89.3	Confident	82.4	Confident	33 Å²	33	62.4 Å²	62.4	18%	0.176	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	133.3	158.9	-69.3	-7	0	0	0	108.5	P799 L839 A861	P799-N859 WeakPolarHBondContact O-CB 3.07Å; L839-N859 WeakPolarHBondContact CD2-O 3.29Å; L839-N859 PolarHBondContact O-N 2.75Å; N859-A861 PolarHBondContact O-N 2.81Å
860	V	87.1	Confident	82.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.312	C	S	.	.			trans	-96.6	79.9	-176.7	-163.8	0	0	0	0	109.6	V736 A792 F793 C794 D795 Y802 A804 V875	V736-V860 HydrophobicContact CG2-CG1 4.24Å; A792-V860 HydrophobicContact CB-CG1 4.18Å; F793-V860 WeakPolarHBondContact O-CB 3.39Å; F793-V860 WeakPolarHBondContact O-CG1 3.35Å; C794-V860 WeakPolarHBondContact CA-O 2.96Å; C794-V860 HydrophobicContact CB-CB 4.18Å; C794-V860 HydrophobicContact CB-CG1 3.58Å; C794-V860 VanDerWaalsContact CB-O 3.3Å; C794-V860 WeakPolarHBondContact CB-O 3.41Å; D795-V860 PolarHBondContact N-O 2.84Å; Y802-V860 PolarHBondContact O-N 3.29Å; A804-V860 HydrophobicContact CB-CG2 3.43Å; A804-V860 VanDerWaalsContact CB-CG2 3.43Å; V860-V875 HydrophobicContact CG1-CG1 4.35Å
861	A	83.5	Confident	82.3	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.008	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-84.4	120	179.2	0	0	0	0	0	110.8	P799 Y835 K838 L839 N859	P799-A861 HydrophobicContact CB-CB 3.69Å; P799-A861 HydrophobicContact CG-CB 4.37Å; Y835-A861 HydrophobicContact CE2-CB 4.46Å; Y835-A861 PolarHBondContact OH-O 2.88Å; K838-A861 HydrophobicContact CD-CB 3.85Å; K838-A861 HydrophobicContact CG-CB 3.92Å; L839-A861 HydrophobicContact CD2-CB 4.17Å; N859-A861 PolarHBondContact O-N 2.81Å
862	K	84.1	Confident	82.5	Confident	66 Å²	66	52.3 Å²	52.3	29%	0.287	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-61.4	136.5	175.5	-172.4	-179.8	175	-154.7	0	109.7	C794 D795 E796	C794-K862 HydrophobicContact CB-CB 4.45Å; D795-K862 WeakPolarHBondContact O-CB 3.32Å; D795-K862 PolarHBondContact O-N 2.72Å; E796-K862 HydrophobicContact CB-CB 4.36Å; E796-K862 HydrophobicContact CB-CD 4.07Å; E796-K862 HydrophobicContact CG-CD 4.36Å; E796-K862 IonicContact OE2-NZ 3.17Å; E796-K862 PolarHBondContact OE2-NZ 3.28Å
863	P	83.1	Confident	82.9	Confident	19 Å²	19	46 Å²	46	12%	0.123	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-66.3	135.8	-179.8	27.4	-36	0	0	0	111	E870 V875	P863-E870 HydrophobicContact CB-CB 3.97Å; P863-E870 VanDerWaalsContact CB-O 3.31Å; P863-E870 WeakPolarHBondContact CB-O 3.21Å; P863-V875 WeakPolarHBondContact CG-O 3.43Å
864	S	78.6	Confident	83.1	Confident	41 Å²	41	42 Å²	42	29%	0.287	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-79.6	133.6	175	-178.6	0	0	0	0	110.9	N866 A867 E870	S864-N866 PolarHBondContact O-N 2.95Å; S864-N866 VanDerWaalsContact O-N 3.09Å; S864-A867 PolarHBondContact O-N 3.39Å; S864-A867 VanDerWaalsContact O-N 3.15Å; S864-E870 PolarHBondContact N-OE2 2.83Å
865	P	71.6	Confident	83.4	Confident	112 Å²	112	41 Å²	41	73%	0.727	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-26.8	177.6	-23.1	31.9	0	0	0	113.9
866	N	73.1	Confident	83.4	Confident	157 Å²	157	41.3 Å²	41.3	84%	0.84	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-5.9	-175	-64.7	-26.3	0	0	0	113.5	S864	S864-N866 PolarHBondContact O-N 2.95Å; S864-N866 VanDerWaalsContact O-N 3.09Å
867	A	77.9	Confident	83.3	Confident	31 Å²	31	42.2 Å²	42.2	26%	0.256	26%	0.255	S	S	.	.			trans	-104.5	96.7	-179.3	0	0	0	0	0	110.3	S864 E869 E870 S871	S864-A867 PolarHBondContact O-N 3.39Å; S864-A867 VanDerWaalsContact O-N 3.15Å; A867-E869 PolarHBondContact O-N 3Å; A867-E869 VanDerWaalsContact O-N 3.08Å; A867-E870 HydrophobicContact CB-CB 4.11Å; A867-E870 HydrophobicContact CB-CG 3.87Å; A867-E870 PolarHBondContact O-N 3.19Å; A867-S871 PolarHBondContact O-N 3Å
868	A	73.9	Confident	83.1	Confident	85 Å²	85	44.7 Å²	44.7	70%	0.702	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-53.5	-33.6	-178.4	0	0	0	0	0	113.3	E870 S871	A868-E870 VanDerWaalsContact C-N 3.32Å; A868-E870 PolarHBondContact O-N 3.14Å; A868-S871 PolarHBondContact O-N 3.21Å; A868-S871 PolarHBondContact O-OG 3.2Å
869	E	72.1	Confident	82.9	Confident	118 Å²	118	53.4 Å²	53.4	55%	0.551	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-71.9	-21.4	178.4	-59.5	-177.9	173.2	0	0	114.2	P834 A867	P834-E869 WeakPolarHBondContact CB-OE2 3.37Å; P834-E869 WeakPolarHBondContact CG-OE2 3.28Å; A867-E869 PolarHBondContact O-N 3Å; A867-E869 VanDerWaalsContact O-N 3.08Å
870	E	79.3	Confident	82.9	Confident	23 Å²	23	55.9 Å²	55.9	11%	0.107	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-92.1	-11.5	176.3	-59.3	-172.1	171.4	0	0	111.9	Y835 K838 P863 S864 A867 A868 N872	Y835-E870 HydrophobicContact CD1-CB 4.31Å; Y835-E870 HydrophobicContact CD1-CG 4.11Å; Y835-E870 HydrophobicContact CD2-CG 4.01Å; Y835-E870 HydrophobicContact CE1-CB 4.18Å; Y835-E870 HydrophobicContact CE1-CG 4.3Å; Y835-E870 HydrophobicContact CE2-CG 4.23Å; Y835-E870 HydrophobicContact CG-CG 3.98Å; K838-E870 WeakPolarHBondContact CD-OE1 3.5Å; K838-E870 VanDerWaalsContact NZ-CD 3.31Å; K838-E870 IonicContact NZ-OE1 3.16Å; K838-E870 PolarHBondContact NZ-OE1 2.87Å; K838-E870 IonicContact NZ-OE2 3.5Å; K838-E870 PolarHBondContact NZ-OE2 3.09Å; P863-E870 HydrophobicContact CB-CB 3.97Å; P863-E870 VanDerWaalsContact CB-O 3.31Å; P863-E870 WeakPolarHBondContact CB-O 3.21Å; S864-E870 PolarHBondContact N-OE2 2.83Å; A867-E870 HydrophobicContact CB-CB 4.11Å; A867-E870 HydrophobicContact CB-CG 3.87Å; A867-E870 PolarHBondContact O-N 3.19Å; A868-E870 VanDerWaalsContact C-N 3.32Å; A868-E870 PolarHBondContact O-N 3.14Å; E870-N872 VanDerWaalsContact C-N 3.33Å; E870-N872 PolarHBondContact O-N 3.06Å
871	S	75.3	Confident	83	Confident	72 Å²	72	58.7 Å²	58.7	50%	0.503	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.3	-174.2	71.2	0	0	0	0	114.5	A867 A868	A867-S871 PolarHBondContact O-N 3Å; A868-S871 PolarHBondContact O-N 3.21Å; A868-S871 PolarHBondContact O-OG 3.2Å
872	N	84.3	Confident	83.2	Confident	72 Å²	72	64 Å²	64	39%	0.385	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	47.7	-174.8	-163.9	21.8	0	0	0	112.5	E870 A891 A892	E870-N872 VanDerWaalsContact C-N 3.33Å; E870-N872 PolarHBondContact O-N 3.06Å; N872-A891 VanDerWaalsContact OD1-CB 3.23Å; N872-A891 WeakPolarHBondContact OD1-CB 3.27Å; N872-A892 PolarHBondContact O-N 3.45Å
873	G	86.6	Confident	83.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.357	C	S	.	.	S	Bend	trans	82.3	-178.8	178.7	0	0	0	0	0	114.3	V875 Y876	G873-V875 VanDerWaalsContact C-N 3.35Å; G873-Y876 VanDerWaalsContact CA-CE2 3.44Å
874	P	91.4	Very high	84	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.351	C	S	.	.	S	Bend	cis	-81.5	-5.4	2.9	36	-41.3	0	0	0	114.3	K737 V831 Y835 L839 A892 F894	K737-P874 PolarHBondContact N-O 3.11Å; V831-P874 HydrophobicContact CB-CG 4.45Å; V831-P874 HydrophobicContact CG1-CG 3.93Å; V831-P874 HydrophobicContact CG2-CB 4.08Å; V831-P874 HydrophobicContact CG2-CG 3.66Å; Y835-P874 HydrophobicContact CE1-CG 4.38Å; L839-P874 HydrophobicContact CD1-CG 3.76Å; P874-A892 VanDerWaalsContact CA-O 3.28Å; P874-A892 WeakPolarHBondContact CA-O 3.2Å; P874-A892 HydrophobicContact CB-CB 4.5Å; P874-F894 HydrophobicContact CB-CD2 4.03Å; P874-F894 HydrophobicContact CB-CE2 3.8Å; P874-F894 HydrophobicContact CB-CZ 4.43Å; P874-F894 HydrophobicContact CG-CD2 4.43Å; P874-F894 HydrophobicContact CG-CE2 3.74Å; P874-F894 HydrophobicContact CG-CZ 3.96Å
875	V	92.9	Very high	84.6	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.9	172.8	-170.7	0	0	0	0	108.9	C734 Y735 V736 Y835 L839 V860 P863 G873	C734-V875 HydrophobicContact CB-CG1 3.59Å; Y735-V875 CarbonylContact O-C 3.57Å; Y735-V875 VanDerWaalsContact O-CA 3.23Å; Y735-V875 WeakPolarHBondContact O-CA 3.34Å; V736-V875 HydrophobicContact CG2-CG2 4.5Å; Y835-V875 VanDerWaalsContact OH-CB 3.29Å; Y835-V875 WeakPolarHBondContact OH-CB 3.17Å; L839-V875 HydrophobicContact CD2-CG2 4.2Å; V860-V875 HydrophobicContact CG1-CG1 4.35Å; P863-V875 WeakPolarHBondContact CG-O 3.43Å; G873-V875 VanDerWaalsContact C-N 3.35Å
876	Y	92.4	Very high	85.5	Confident	6 Å²	6	67.7 Å²	67.7	2%	0.024	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.1	-179.8	-65.7	-100.6	0	0	0	109.7	C734 Y735 K737 G873 C884 A887	C734-Y876 CarbonylContact C-O 3.54Å; C734-Y876 VanDerWaalsContact CA-O 3.27Å; C734-Y876 WeakPolarHBondContact CA-O 3.48Å; C734-Y876 VanDerWaalsContact CB-O 3.27Å; C734-Y876 WeakPolarHBondContact CB-O 3.31Å; Y735-Y876 PolarHBondContact N-O 2.87Å; Y735-Y876 PolarHBondContact O-N 3.11Å; K737-Y876 HydrophobicContact CB-CD2 4.35Å; K737-Y876 HydrophobicContact CB-CE2 3.82Å; K737-Y876 HydrophobicContact CG-CE2 4.4Å; G873-Y876 VanDerWaalsContact CA-CE2 3.44Å; Y876-C884 HydrophobicContact CD1-CB 4.14Å; Y876-C884 HydrophobicContact CD2-CB 3.85Å; Y876-C884 HydrophobicContact CE2-CB 4.33Å; Y876-C884 HydrophobicContact CG-CB 3.76Å; Y876-A887 WeakPolarHBondContact OH-CB 3.33Å
877	A	89.9	Confident	86.3	Confident	20 Å²	20	60.4 Å²	60.4	17%	0.165	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	151.3	171.1	0	0	0	0	0	110.8	E879 K880	A877-E879 VanDerWaalsContact C-N 3.26Å; A877-E879 PolarHBondContact O-N 2.88Å; A877-K880 HydrophobicContact CB-CD 4.32Å; A877-K880 WeakPolarHBondContact O-CB 3.22Å; A877-K880 PolarHBondContact O-N 3.11Å
878	F	87.9	Confident	86.9	Confident	79 Å²	79	62.2 Å²	62.2	35%	0.346	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-61.1	-30	-177.4	-177.6	-105.3	0	0	0	114.4	R733 Y735 K880	R733-F878 HydrophobicContact CB-CB 3.78Å; R733-F878 HydrophobicContact CB-CD2 3.56Å; R733-F878 HydrophobicContact CB-CE2 4.3Å; R733-F878 HydrophobicContact CB-CG 3.71Å; R733-F878 HydrophobicContact CG-CD2 4.3Å; R733-F878 VanDerWaalsContact NH1-CZ 3.28Å; R733-F878 WeakPolarHBondContact O-CB 3.48Å; Y735-F878 HydrophobicContact CE1-CD2 4.41Å; Y735-F878 HydrophobicContact CE1-CE2 4.49Å; Y735-F878 AromaticContact CE2-CD2 3.78Å; Y735-F878 HydrophobicContact CE2-CD2 3.78Å; Y735-F878 HydrophobicContact CE2-CE2 4.34Å; Y735-F878 HydrophobicContact CE2-CG 4.4Å; Y735-F878 VanDerWaalsContact CE2-O 3.27Å; Y735-F878 WeakPolarHBondContact CE2-O 3.37Å; Y735-F878 AromaticContact CZ-CD2 3.59Å; Y735-F878 AromaticContact CZ-CE2 3.74Å; Y735-F878 WeakPolarHBondContact OH-CD2 3.49Å; Y735-F878 WeakPolarHBondContact OH-CE2 3.23Å; F878-K880 PolarHBondContact O-N 3.05Å
879	E	86.4	Confident	87.5	Confident	186 Å²	186	61.2 Å²	61.2	87%	0.869	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-70.9	-17.5	176.4	-66.9	153.3	-155.4	0	0	112.5	A877	A877-E879 VanDerWaalsContact C-N 3.26Å; A877-E879 PolarHBondContact O-N 2.88Å
880	K	88.8	Confident	88.3	Confident	84 Å²	84	60.6 Å²	60.6	37%	0.365	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-101.7	37.2	-173.4	-67.5	178.8	161	-113.9	0	112.6	A877 F878 K882 E883 C884	A877-K880 HydrophobicContact CB-CD 4.32Å; A877-K880 WeakPolarHBondContact O-CB 3.22Å; A877-K880 PolarHBondContact O-N 3.11Å; F878-K880 PolarHBondContact O-N 3.05Å; K880-K882 VanDerWaalsContact C-N 3.34Å; K880-K882 PolarHBondContact O-N 3.26Å; K880-E883 HydrophobicContact CB-CB 4.21Å; K880-E883 HydrophobicContact CB-CG 4.36Å; K880-E883 WeakPolarHBondContact CD-OE2 3.27Å; K880-E883 WeakPolarHBondContact CE-OE1 3.34Å; K880-E883 IonicContact NZ-OE1 2.68Å; K880-E883 PolarHBondContact NZ-OE1 2.87Å; K880-E883 IonicContact NZ-OE2 2.83Å; K880-E883 PolarHBondContact NZ-OE2 2.74Å; K880-E883 PolarHBondContact O-N 3.42Å; K880-C884 PolarHBondContact O-N 3.05Å; K880-C884 VanDerWaalsContact O-N 3.07Å
881	L	89.1	Confident	88.9	Confident	59 Å²	59	59.6 Å²	59.6	31%	0.309	31%	0.307	S	S	.	.	H	α-helix	trans	-56.6	-48.4	178.1	176.1	57.7	0	0	0	111.4	Y735 C789 E883 C884 E885	Y735-L881 HydrophobicContact CD1-CD1 4.19Å; Y735-L881 HydrophobicContact CD2-CB 4.38Å; Y735-L881 HydrophobicContact CD2-CD1 4.24Å; Y735-L881 HydrophobicContact CE1-CD1 3.84Å; Y735-L881 HydrophobicContact CE2-CB 3.65Å; Y735-L881 HydrophobicContact CE2-CD1 3.86Å; Y735-L881 HydrophobicContact CE2-CG 4.27Å; Y735-L881 HydrophobicContact CG-CD1 4.38Å; C789-L881 HydrophobicContact CB-CD1 4.42Å; L881-E883 VanDerWaalsContact C-N 3.35Å; L881-E883 PolarHBondContact O-N 3.3Å; L881-C884 WeakPolarHBondContact O-CA 3.36Å; L881-C884 WeakPolarHBondContact O-CB 3.21Å; L881-C884 PolarHBondContact O-N 2.04Å; L881-E885 HydrophobicContact CD1-CG 3.88Å; L881-E885 HydrophobicContact CG-CG 4.31Å; L881-E885 PolarHBondContact O-N 2.68Å
882	K	88.1	Confident	89.7	Confident	112 Å²	112	56.7 Å²	56.7	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-42.8	-179.4	-169.7	171.4	-174.7	167.5	0	112.4	E355 K880 C884 E885 E886	E355-K882 IonicContact OE1-NZ 3.54Å; K880-K882 VanDerWaalsContact C-N 3.34Å; K880-K882 PolarHBondContact O-N 3.26Å; K882-C884 VanDerWaalsContact C-N 3.28Å; K882-C884 PolarHBondContact O-N 2.98Å; K882-E885 PolarHBondContact O-N 2.95Å; K882-E886 WeakPolarHBondContact CE-OE1 3.22Å; K882-E886 HydrophobicContact CG-CG 4.39Å; K882-E886 WeakPolarHBondContact O-CB 3.47Å; K882-E886 PolarHBondContact O-N 2.92Å
883	E	91.3	Very high	90.1	Very high	93 Å²	93	53.3 Å²	53.3	44%	0.435	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-37.3	174.5	-64.6	-179.7	-149.6	0	0	111.8	K880 L881 A887	K880-E883 HydrophobicContact CB-CB 4.21Å; K880-E883 HydrophobicContact CB-CG 4.36Å; K880-E883 WeakPolarHBondContact CD-OE2 3.27Å; K880-E883 WeakPolarHBondContact CE-OE1 3.34Å; K880-E883 IonicContact NZ-OE1 2.68Å; K880-E883 PolarHBondContact NZ-OE1 2.87Å; K880-E883 IonicContact NZ-OE2 2.83Å; K880-E883 PolarHBondContact NZ-OE2 2.74Å; K880-E883 PolarHBondContact O-N 3.42Å; L881-E883 VanDerWaalsContact C-N 3.35Å; L881-E883 PolarHBondContact O-N 3.3Å; E883-A887 WeakPolarHBondContact O-CA 3.34Å; E883-A887 WeakPolarHBondContact O-CB 3.48Å; E883-A887 PolarHBondContact O-N 3.35Å
884	C	93.4	Very high	90.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.9	-49.4	174.8	-175.8	0	0	0	0	111.2	K737 C789 Y876 K880 L881 K882 E886 A887	K737-C884 WeakPolarHBondContact CD-O 3.24Å; K737-C884 WeakPolarHBondContact CE-O 3.11Å; K737-C884 PolarHBondContact NZ-O 3.14Å; C789-C884 HydrophobicContact CB-CB 4.04Å; C789-C884 WeakPolarHBondContact CB-SG 3.49Å; C789-C884 WeakPolarHBondContact SG-CB 3.31Å; C789-C884 PolarHBondContact SG-O 3.02Å; C789-C884 CovalentContact SG-SG 2.04Å; C789-C884 PolarHBondContact SG-SG 3.28Å; Y876-C884 HydrophobicContact CD1-CB 4.14Å; Y876-C884 HydrophobicContact CD2-CB 3.85Å; Y876-C884 HydrophobicContact CE2-CB 4.33Å; Y876-C884 HydrophobicContact CG-CB 3.76Å; K880-C884 PolarHBondContact O-N 3.05Å; K880-C884 VanDerWaalsContact O-N 3.07Å; L881-C884 WeakPolarHBondContact O-CA 3.36Å; L881-C884 WeakPolarHBondContact O-CB 3.21Å; L881-C884 PolarHBondContact O-N 2.04Å; K882-C884 VanDerWaalsContact C-N 3.28Å; K882-C884 PolarHBondContact O-N 2.98Å; C884-E886 PolarHBondContact O-N 3.12Å; C884-A887 VanDerWaalsContact O-CB 3.29Å; C884-A887 WeakPolarHBondContact O-CB 3.42Å; C884-A887 PolarHBondContact O-N 3.06Å
885	E	90.5	Very high	90.7	Very high	105 Å²	105	55 Å²	55	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-40	-176.6	-71.7	-177.9	152.5	0	0	112	N786 C789 L881 K882	N786-E885 WeakPolarHBondContact CB-O 3.33Å; N786-E885 PolarHBondContact ND2-O 3.4Å; C789-E885 HydrophobicContact CB-CG 4.44Å; C789-E885 PolarHBondContact SG-N 2.65Å; C789-E885 VanDerWaalsContact SG-N 3.41Å; L881-E885 HydrophobicContact CD1-CG 3.88Å; L881-E885 HydrophobicContact CG-CG 4.31Å; L881-E885 PolarHBondContact O-N 2.68Å; K882-E885 PolarHBondContact O-N 2.95Å
886	E	90.1	Very high	90.7	Very high	119 Å²	119	54.9 Å²	54.9	56%	0.556	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	2	-179.2	-62.6	176.8	176.7	0	0	113.5	K882 C884	K882-E886 WeakPolarHBondContact CE-OE1 3.22Å; K882-E886 HydrophobicContact CG-CG 4.39Å; K882-E886 WeakPolarHBondContact O-CB 3.47Å; K882-E886 PolarHBondContact O-N 2.92Å; C884-E886 PolarHBondContact O-N 3.12Å
887	A	90.8	Very high	90.5	Very high	3 Å²	3	54.8 Å²	54.8	3%	0.025	28%	0.275	C	S	.	.			trans	-51.9	129.5	-176.4	0	0	0	0	0	111.9	R739 Y876 E883 C884 A891	R739-A887 PolarHBondContact NH2-O 3.44Å; Y876-A887 WeakPolarHBondContact OH-CB 3.33Å; E883-A887 WeakPolarHBondContact O-CA 3.34Å; E883-A887 WeakPolarHBondContact O-CB 3.48Å; E883-A887 PolarHBondContact O-N 3.35Å; C884-A887 VanDerWaalsContact O-CB 3.29Å; C884-A887 WeakPolarHBondContact O-CB 3.42Å; C884-A887 PolarHBondContact O-N 3.06Å; A887-A891 HydrophobicContact CB-CB 4.1Å
888	P	90.5	Very high	89.7	Confident	70 Å²	70	56 Å²	56	46%	0.455	28%	0.275	S	S	.	.			trans	-66.5	163.2	179.2	28.8	-35.5	0	0	0	111.1	R739 S890 A891	R739-P888 PolarHBondContact NH2-O 2.89Å; P888-S890 PolarHBondContact O-N 3.43Å; P888-S890 VanDerWaalsContact O-N 3.17Å; P888-A891 HydrophobicContact CG-CB 4.29Å; P888-A891 VanDerWaalsContact O-CB 3.29Å; P888-A891 WeakPolarHBondContact O-CB 3.18Å; P888-A891 PolarHBondContact O-N 2.83Å
889	F	87.4	Confident	88.1	Confident	64 Å²	64	56.2 Å²	56.2	28%	0.281	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.4	178.8	-178.9	-92.2	0	0	0	113.6	F741 F746 P748 A891 H893	F741-F889 AromaticContact CE1-CE2 3.75Å; F741-F889 HydrophobicContact CE1-CE2 3.75Å; F741-F889 HydrophobicContact CE1-CZ 4.38Å; F741-F889 AromaticContact CZ-CE2 3.75Å; F741-F889 HydrophobicContact CZ-CE2 3.75Å; F741-F889 HydrophobicContact CZ-CZ 4.39Å; F746-F889 WeakPolarHBondContact O-CZ 3.41Å; P748-F889 HydrophobicContact CB-CD2 4.06Å; P748-F889 HydrophobicContact CB-CE2 4.24Å; P748-F889 HydrophobicContact CB-CG 4.22Å; P748-F889 HydrophobicContact CG-CD1 3.71Å; P748-F889 HydrophobicContact CG-CD2 4.02Å; P748-F889 HydrophobicContact CG-CE1 3.69Å; P748-F889 HydrophobicContact CG-CE2 3.99Å; P748-F889 HydrophobicContact CG-CG 3.89Å; P748-F889 HydrophobicContact CG-CZ 3.84Å; F889-A891 VanDerWaalsContact C-N 3.28Å; F889-A891 PolarHBondContact O-N 2.93Å; F889-H893 PolarHBondContact O-CE1 3.34Å
890	S	88.4	Confident	86.7	Confident	104 Å²	104	50.9 Å²	50.9	73%	0.727	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16.5	178.3	54.1	0	0	0	0	114.1	P888	P888-S890 PolarHBondContact O-N 3.43Å; P888-S890 VanDerWaalsContact O-N 3.17Å
891	A	91.2	Very high	85	Confident	3 Å²	3	49.1 Å²	49.1	3%	0.025	26%	0.264	C	S	.	.	S	Bend	trans	-66.8	151.1	174.5	0	0	0	0	0	110.9	N872 A887 P888 F889 H893	N872-A891 VanDerWaalsContact OD1-CB 3.23Å; N872-A891 WeakPolarHBondContact OD1-CB 3.27Å; A887-A891 HydrophobicContact CB-CB 4.1Å; P888-A891 HydrophobicContact CG-CB 4.29Å; P888-A891 VanDerWaalsContact O-CB 3.29Å; P888-A891 WeakPolarHBondContact O-CB 3.18Å; P888-A891 PolarHBondContact O-N 2.83Å; F889-A891 VanDerWaalsContact C-N 3.28Å; F889-A891 PolarHBondContact O-N 2.93Å; A891-H893 PolarHBondContact O-ND1 3.34Å
892	A	91.9	Very high	83.2	Confident	10 Å²	10	49.6 Å²	49.6	8%	0.083	27%	0.267	C	S	.	.			trans	-68.6	136.4	-178	0	0	0	0	0	111	G830 P832 N872 P874	G830-A892 CarbonylContact O-C 3.57Å; G830-A892 VanDerWaalsContact O-CA 3.3Å; G830-A892 WeakPolarHBondContact O-CA 3.34Å; P832-A892 HydrophobicContact CG-CB 4.34Å; N872-A892 PolarHBondContact O-N 3.45Å; P874-A892 VanDerWaalsContact CA-O 3.28Å; P874-A892 WeakPolarHBondContact CA-O 3.2Å; P874-A892 HydrophobicContact CB-CB 4.5Å
893	H	93.6	Very high	82.3	Confident	2 Å²	2	47 Å²	47	1%	0.009	25%	0.254	C	S	.	.			trans	-158.3	149.8	-176.8	58.1	-90.4	0	0	0	110.8	K737 R739 F741 V829 G830 F889 A891 R895	K737-H893 HydrophobicContact CB-CB 4.27Å; K737-H893 HydrophobicContact CG-CB 3.75Å; R739-H893 HydrophobicContact CG-CB 4.38Å; F741-H893 AromaticContact CZ-NE2 3.95Å; V829-H893 VanDerWaalsContact O-O 3.05Å; G830-H893 CarbonylContact C-O 3.56Å; G830-H893 VanDerWaalsContact CA-O 3.28Å; G830-H893 WeakPolarHBondContact CA-O 3.06Å; G830-H893 PolarHBondContact O-N 3.28Å; G830-H893 VanDerWaalsContact O-O 3.12Å; F889-H893 PolarHBondContact O-CE1 3.34Å; A891-H893 PolarHBondContact O-ND1 3.34Å; H893-R895 PolarHBondContact NE2-NE 3.45Å
894	F	95.8	Very high	81.5	Confident	1 Å²	1	43.9 Å²	43.9	0%	0.004	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	153.5	171.2	-64.8	-74.1	0	0	0	111.4	V736 K737 V738 R739 V829 V831 L839 Y841 F856 I858 P874	V736-F894 HydrophobicContact CG1-CD2 3.77Å; V736-F894 HydrophobicContact CG1-CE2 3.86Å; K737-F894 PolarHBondContact O-N 2.67Å; V738-F894 WeakPolarHBondContact CA-O 3.45Å; V738-F894 HydrophobicContact CG2-CB 4.3Å; R739-F894 PolarHBondContact N-O 3.08Å; V829-F894 HydrophobicContact CG1-CD1 3.98Å; V829-F894 HydrophobicContact CG1-CE1 4.13Å; V831-F894 HydrophobicContact CG2-CD1 4Å; V831-F894 HydrophobicContact CG2-CE1 3.73Å; V831-F894 HydrophobicContact CG2-CZ 4.1Å; L839-F894 HydrophobicContact CD1-CZ 3.82Å; Y841-F894 HydrophobicContact CD2-CD1 4Å; Y841-F894 AromaticContact CD2-CE1 3.72Å; Y841-F894 HydrophobicContact CD2-CE1 3.72Å; Y841-F894 HydrophobicContact CE2-CD1 4.03Å; Y841-F894 HydrophobicContact CE2-CE1 4.23Å; F856-F894 HydrophobicContact CE1-CB 4Å; F856-F894 HydrophobicContact CE1-CG 4.41Å; F856-F894 HydrophobicContact CE2-CB 4.41Å; F856-F894 HydrophobicContact CE2-CD1 4.02Å; F856-F894 HydrophobicContact CE2-CD2 4.26Å; F856-F894 HydrophobicContact CE2-CE1 4.35Å; F856-F894 AromaticContact CE2-CG 3.97Å; F856-F894 HydrophobicContact CE2-CG 3.97Å; F856-F894 HydrophobicContact CZ-CB 3.55Å; F856-F894 AromaticContact CZ-CD1 3.98Å; F856-F894 HydrophobicContact CZ-CD1 3.98Å; F856-F894 HydrophobicContact CZ-CD2 4.06Å; F856-F894 AromaticContact CZ-CG 3.59Å; F856-F894 HydrophobicContact CZ-CG 3.59Å; I858-F894 HydrophobicContact CD1-CE2 3.66Å; I858-F894 HydrophobicContact CD1-CZ 3.88Å; I858-F894 HydrophobicContact CG2-CE1 3.99Å; I858-F894 HydrophobicContact CG2-CZ 3.77Å; P874-F894 HydrophobicContact CB-CD2 4.03Å; P874-F894 HydrophobicContact CB-CE2 3.8Å; P874-F894 HydrophobicContact CB-CZ 4.43Å; P874-F894 HydrophobicContact CG-CD2 4.43Å; P874-F894 HydrophobicContact CG-CE2 3.74Å; P874-F894 HydrophobicContact CG-CZ 3.96Å
895	R	94.5	Very high	81	Confident	33 Å²	33	46.4 Å²	46.4	13%	0.125	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.4	-173.1	-55	-168.5	179.5	142.7	-2.7	112.8	R739 F741 F746 V818 S827 L828 H893	R739-R895 WeakPolarHBondContact O-CA 3.4Å; F741-R895 HydrophobicContact CD2-CB 4.26Å; F741-R895 HydrophobicContact CD2-CG 4.44Å; F741-R895 HydrophobicContact CE2-CB 4.08Å; F741-R895 HydrophobicContact CE2-CG 3.79Å; F746-R895 HydrophobicContact CD1-CB 4.04Å; F746-R895 HydrophobicContact CD1-CG 4.44Å; F746-R895 HydrophobicContact CE1-CB 3.9Å; F746-R895 HydrophobicContact CZ-CB 4.46Å; V818-R895 HydrophobicContact CG2-CB 3.95Å; S827-R895 PolarHBondContact O-NH1 2.91Å; L828-R895 PolarHBondContact O-NH1 2.93Å; H893-R895 PolarHBondContact NE2-NE 3.45Å
896	F	93.7	Very high	80.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	149.4	163.6	-74.6	-89.3	0	0	0	109.9	V738 R739 A740 F741 V806 A808 L815 E816 A817 F856	V738-F896 HydrophobicContact CG1-CD2 3.62Å; V738-F896 HydrophobicContact CG1-CE2 3.79Å; R739-F896 PolarHBondContact O-N 3.48Å; A740-F896 CarbonylContact C-O 3.57Å; A740-F896 WeakPolarHBondContact CA-O 3.49Å; A740-F896 HydrophobicContact CB-CB 4.49Å; F741-F896 PolarHBondContact N-O 3.4Å; V806-F896 HydrophobicContact CG1-CE2 4.06Å; V806-F896 HydrophobicContact CG1-CZ 4.23Å; A808-F896 HydrophobicContact CB-CB 4.2Å; A808-F896 HydrophobicContact CB-CD1 3.77Å; A808-F896 HydrophobicContact CB-CD2 3.62Å; A808-F896 HydrophobicContact CB-CE1 3.96Å; A808-F896 HydrophobicContact CB-CE2 3.81Å; A808-F896 HydrophobicContact CB-CG 3.6Å; A808-F896 HydrophobicContact CB-CZ 3.98Å; L815-F896 HydrophobicContact CB-CB 3.94Å; L815-F896 HydrophobicContact CB-CD1 4.06Å; L815-F896 HydrophobicContact CB-CG 4.36Å; L815-F896 HydrophobicContact CD1-CB 4.08Å; E816-F896 CarbonylContact O-C 3.53Å; E816-F896 WeakPolarHBondContact O-CA 3.48Å; A817-F896 HydrophobicContact CB-CD1 4.13Å; A817-F896 HydrophobicContact CB-CE1 3.79Å; A817-F896 HydrophobicContact CB-CZ 4.49Å; F856-F896 HydrophobicContact CD1-CE1 4.3Å; F856-F896 HydrophobicContact CD1-CE2 4.08Å; F856-F896 AromaticContact CD1-CZ 3.65Å; F856-F896 HydrophobicContact CD1-CZ 3.65Å; F856-F896 HydrophobicContact CE1-CD2 4.36Å; F856-F896 HydrophobicContact CE1-CE1 4.45Å; F856-F896 AromaticContact CE1-CE2 3.44Å; F856-F896 HydrophobicContact CE1-CE2 3.44Å; F856-F896 VanDerWaalsContact CE1-CE2 3.44Å; F856-F896 AromaticContact CE1-CZ 3.49Å; F856-F896 HydrophobicContact CE1-CZ 3.49Å; F856-F896 VanDerWaalsContact CE1-CZ 3.49Å; F856-F896 HydrophobicContact CZ-CE2 4.4Å
897	S	87.6	Confident	80.6	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.028	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.5	172.7	48.3	0	0	0	0	111.7	F741 E816	F741-S897 WeakPolarHBondContact O-CA 3.45Å; E816-S897 PolarHBondContact N-O 2.87Å; E816-S897 PolarHBondContact O-N 2.81Å
898	R	72.8	Confident	80.6	Confident	44 Å²	44	37 Å²	37	17%	0.166	21%	0.208	C	C	.	.			trans	-81.9	141.1	172.5	-162.7	176.2	-166.3	-170.4	4.9	110.9	F741 E813 L815 E900 E1071	F741-R898 PolarHBondContact O-N 2.9Å; E813-R898 IonicContact OE2-CZ 3.19Å; E813-R898 IonicContact OE2-NE 3.42Å; E813-R898 PolarHBondContact OE2-NE 3.26Å; E813-R898 IonicContact OE2-NH2 3.09Å; E813-R898 PolarHBondContact OE2-NH2 3.31Å; L815-R898 HydrophobicContact CD2-CB 3.85Å; L815-R898 HydrophobicContact CD2-CG 3.95Å; R898-E900 HydrophobicContact CG-CB 4.47Å; R898-E900 HydrophobicContact CG-CG 4.14Å; R898-E900 IonicContact CZ-OE1 3.81Å; R898-E900 IonicContact CZ-OE2 2.73Å; R898-E900 VanDerWaalsContact NE-CD 3.25Å; R898-E900 IonicContact NE-OE1 2.96Å; R898-E900 IonicContact NE-OE2 3.75Å; R898-E900 PolarHBondContact NE-OE2 3.34Å; R898-E900 VanDerWaalsContact NH1-CD 3.3Å; R898-E900 IonicContact NH1-OE1 3.59Å; R898-E900 PolarHBondContact NH1-OE1 3.02Å; R898-E900 IonicContact NH1-OE2 3.32Å; R898-E900 PolarHBondContact NH1-OE2 2.94Å; R898-E900 IonicContact NH2-OE1 2.74Å; R898-E900 PolarHBondContact NH2-OE1 2.02Å; R898-E900 IonicContact NH2-OE2 3.05Å; R898-E900 PolarHBondContact NH2-OE2 2.82Å; R898-E1071 IonicContact NH2-OE1 2.84Å
899	V	54.4	Low	80.4	Confident	85 Å²	85	33.9 Å²	33.9	52%	0.515	19%	0.187	S	C	.	.			trans	-103.8	68.4	173.5	-171.2	0	0	0	0	108.9	E816	E816-V899 HydrophobicContact CB-CG2 4.11Å; E816-V899 HydrophobicContact CG-CG2 3.58Å; E816-V899 WeakPolarHBondContact OE1-CG2 3.44Å
900	E	56	Low	80.2	Confident	73 Å²	73	32.2 Å²	32.2	34%	0.341	18%	0.183	S	C	.	.			trans	-108.1	148.7	166.4	-79.7	-172.5	158.3	0	0	109.8	R898	R898-E900 HydrophobicContact CG-CB 4.47Å; R898-E900 HydrophobicContact CG-CG 4.14Å; R898-E900 IonicContact CZ-OE1 3.81Å; R898-E900 IonicContact CZ-OE2 2.73Å; R898-E900 VanDerWaalsContact NE-CD 3.25Å; R898-E900 IonicContact NE-OE1 2.96Å; R898-E900 IonicContact NE-OE2 3.75Å; R898-E900 PolarHBondContact NE-OE2 3.34Å; R898-E900 VanDerWaalsContact NH1-CD 3.3Å; R898-E900 IonicContact NH1-OE1 3.59Å; R898-E900 PolarHBondContact NH1-OE1 3.02Å; R898-E900 IonicContact NH1-OE2 3.32Å; R898-E900 PolarHBondContact NH1-OE2 2.94Å; R898-E900 IonicContact NH2-OE1 2.74Å; R898-E900 PolarHBondContact NH2-OE1 2.02Å; R898-E900 IonicContact NH2-OE2 3.05Å; R898-E900 PolarHBondContact NH2-OE2 2.82Å
901	G	53.9	Low	79.9	Confident	47 Å²	47	28.7 Å²	28.7	49%	0.485	16%	0.155	S	C	.	.			trans	-55.8	150.6	173.6	0	0	0	0	0	111.1	R903	G901-R903 PolarHBondContact O-N 2.57Å
902	D	51.9	Low	79.2	Confident	69 Å²	69	31 Å²	31	37%	0.369	17%	0.166	S	C	.	.			trans	-48.2	100.4	176.9	-78.5	-57.4	0	0	0	111.2	Y904 R973	D902-Y904 HydrophobicContact CB-CE2 3.75Å; D902-Y904 PolarHBondContact OD1-OH 3.37Å; D902-R973 HydrophobicContact CB-CB 4.47Å; D902-R973 PolarHBondContact O-N 3.04Å; D902-R973 IonicContact OD2-NH1 3.19Å
903	R	68.1	Low	78.5	Confident	57 Å²	57	31.5 Å²	31.5	22%	0.215	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.4	174.4	179.7	-179.1	174.8	167.2	3.6	109.4	G901 D905 Y937 D971 E989	G901-R903 PolarHBondContact O-N 2.57Å; R903-D905 IonicContact NE-OD1 3.97Å; R903-D905 PolarHBondContact NE-OD1 3.34Å; R903-D905 IonicContact NE-OD2 3.33Å; R903-Y937 VanDerWaalsContact CZ-OH 3.26Å; R903-Y937 PolarHBondContact NH1-OH 3.12Å; R903-Y937 PolarHBondContact NH2-OH 3.25Å; R903-D971 WeakPolarHBondContact CA-O 3.13Å; R903-E989 IonicContact CZ-OE2 3.19Å; R903-E989 IonicContact NH2-OE1 3.33Å; R903-E989 IonicContact NH2-OE2 2.76Å; R903-E989 PolarHBondContact NH2-OE2 2.93Å
904	Y	74.6	Confident	77.2	Confident	29 Å²	29	31.9 Å²	31.9	11%	0.114	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.4	-179.5	-57.7	-69	0	0	0	111.6	R394 H397 D902 Y906 D971	R394-Y904 PolarHBondContact NH1-OH 2.77Å; R394-Y904 VanDerWaalsContact NH1-OH 3.08Å; R394-Y904 PolarHBondContact NH2-OH 2.79Å; H397-Y904 AromaticContact NE2-CE2 3.51Å; H397-Y904 AromaticContact NE2-CZ 3.94Å; D902-Y904 HydrophobicContact CB-CE2 3.75Å; D902-Y904 PolarHBondContact OD1-OH 3.37Å; Y904-Y906 WeakPolarHBondContact CB-OH 3.46Å; Y904-D971 PolarHBondContact N-O 3.34Å; Y904-D971 PolarHBondContact O-N 3.14Å
905	D	84.3	Confident	76	Confident	52 Å²	52	33.5 Å²	33.5	28%	0.278	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	116.6	-177.6	-62	-9.4	0	0	0	108.6	R903 R970 K1070	R903-D905 IonicContact NE-OD1 3.97Å; R903-D905 PolarHBondContact NE-OD1 3.34Å; R903-D905 IonicContact NE-OD2 3.33Å; D905-R970 WeakPolarHBondContact OD1-CD 2.98Å; D905-R970 IonicContact OD1-NE 3.45Å; D905-K1070 IonicContact OD2-NZ 3.9Å; D905-K1070 PolarHBondContact OD2-NZ 3.1Å
906	Y	86	Confident	74.7	Confident	11 Å²	11	32.6 Å²	32.6	4%	0.043	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	93.6	-177.9	-46.1	-75.8	0	0	0	109.2	R394 P396 Y904 G968 L969 D971	R394-Y906 VanDerWaalsContact O-CD1 3.29Å; R394-Y906 WeakPolarHBondContact O-CD1 3.21Å; R394-Y906 WeakPolarHBondContact O-CE1 3.32Å; P396-Y906 WeakPolarHBondContact CA-OH 3.47Å; P396-Y906 HydrophobicContact CB-CE1 4.35Å; P396-Y906 HydrophobicContact CB-CE2 4.27Å; P396-Y906 HydrophobicContact CG-CD1 3.86Å; P396-Y906 HydrophobicContact CG-CD2 3.95Å; P396-Y906 HydrophobicContact CG-CE1 3.91Å; P396-Y906 HydrophobicContact CG-CE2 3.97Å; P396-Y906 HydrophobicContact CG-CG 3.85Å; P396-Y906 VanDerWaalsContact N-CE1 3.25Å; Y904-Y906 WeakPolarHBondContact CB-OH 3.46Å; Y906-G968 CarbonylContact O-C 3.56Å; Y906-G968 WeakPolarHBondContact O-CA 3.32Å; Y906-L969 HydrophobicContact CD2-CB 3.97Å; Y906-L969 PolarHBondContact N-O 2.93Å; Y906-L969 PolarHBondContact O-N 3.15Å; Y906-D971 HydrophobicContact CE2-CB 4.06Å
907	N	86.3	Confident	73.4	Confident	19 Å²	19	34.9 Å²	34.9	10%	0.102	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	144.2	179.9	-61.3	-24.4	0	0	0	111.1	V909 R970	N907-V909 WeakPolarHBondContact CB-O 3.49Å; N907-R970 VanDerWaalsContact OD1-CZ 3.25Å; N907-R970 PolarHBondContact OD1-NH1 3.02Å; N907-R970 PolarHBondContact OD1-NH2 2.84Å
908	T	88.8	Confident	72.7	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	20%	0.198	C	C	.	.	S	Bend	trans	-69.8	-42.4	170.3	-72.9	0	0	0	0	111.2	P455 T456 M457 L924 L966 Y967	P455-T908 HydrophobicContact CB-CG2 4.23Å; P455-T908 HydrophobicContact CG-CG2 4.26Å; P455-T908 WeakPolarHBondContact O-CA 3.21Å; P455-T908 WeakPolarHBondContact O-CB 3.33Å; P455-T908 WeakPolarHBondContact O-CG2 3.01Å; P455-T908 PolarHBondContact O-OG1 3.45Å; P455-T908 VanDerWaalsContact O-OG1 3.05Å; T456-T908 WeakPolarHBondContact CA-O 3.34Å; M457-T908 PolarHBondContact N-O 3.42Å; T908-L924 HydrophobicContact CG2-CB 4.27Å; T908-L924 HydrophobicContact CG2-CD1 3.95Å; T908-L966 WeakPolarHBondContact CB-O 3.33Å; T908-L966 PolarHBondContact OG1-O 3.02Å; T908-Y967 PolarHBondContact N-O 3.29Å
909	V	87.4	Confident	73	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.018	20%	0.195	C	C	.	.	S	Bend	trans	-96.5	113.9	168.3	-176.1	0	0	0	0	108.1	M457 N907 F911 T920 D922 L924	M457-V909 HydrophobicContact CG-CG2 4.1Å; N907-V909 WeakPolarHBondContact CB-O 3.49Å; V909-F911 PolarHBondContact O-N 2.96Å; V909-T920 VanDerWaalsContact CG1-OG1 3.26Å; V909-T920 WeakPolarHBondContact CG1-OG1 3.31Å; V909-D922 HydrophobicContact CG1-CB 4.39Å; V909-D922 HydrophobicContact CG2-CB 3.89Å; V909-L924 HydrophobicContact CG2-CB 3.98Å
910	P	83.6	Confident	74.2	Confident	29 Å²	29	32.3 Å²	32.3	19%	0.188	18%	0.176	C	C	.	.			trans	-57.4	132.8	177.3	-23.6	33.6	0	0	0	110.7	V411 M457	V411-P910 HydrophobicContact CB-CG 3.97Å; V411-P910 HydrophobicContact CG1-CG 4.13Å; V411-P910 HydrophobicContact CG2-CB 4.14Å; V411-P910 HydrophobicContact CG2-CG 3.91Å; M457-P910 WeakPolarHBondContact O-CD 3.18Å; M457-P910 VanDerWaalsContact O-CG 3.32Å; M457-P910 WeakPolarHBondContact O-CG 3.08Å
911	F	82.1	Confident	75.4	Confident	31 Å²	31	35.9 Å²	35.9	14%	0.136	19%	0.192	C	C	.	.			trans	-140.8	130.2	175	175.4	-109.2	0	0	0	108.4	V909 E913 S918 W919 W927 Y933 P1066	V909-F911 PolarHBondContact O-N 2.96Å; F911-E913 HydrophobicContact CD1-CG 3.81Å; F911-E913 HydrophobicContact CE1-CB 4.41Å; F911-E913 HydrophobicContact CE1-CG 3.81Å; F911-S918 WeakPolarHBondContact CD2-OG 3.48Å; F911-W919 HydrophobicContact CD2-CB 4.29Å; F911-W919 HydrophobicContact CE2-CB 3.88Å; F911-W927 AromaticContact CD1-CD1 3.22Å; F911-W927 HydrophobicContact CD1-CG 4.44Å; F911-W927 AromaticContact CD1-NE1 3.47Å; F911-W927 AromaticContact CE1-CD1 3.34Å; F911-W927 HydrophobicContact CE1-CG 4.31Å; F911-W927 AromaticContact CE1-NE1 3.55Å; F911-W927 AromaticContact CG-CD1 3.95Å; F911-Y933 HydrophobicContact CE1-CE1 4.28Å; F911-Y933 AromaticContact CZ-CE1 3.88Å; F911-Y933 HydrophobicContact CZ-CE1 3.88Å; F911-P1066 HydrophobicContact CE1-CB 4.32Å; F911-P1066 HydrophobicContact CE1-CG 4.11Å; F911-P1066 HydrophobicContact CZ-CG 4.37Å
912	N	76.2	Confident	77	Confident	50 Å²	50	35.2 Å²	35.2	27%	0.267	18%	0.178	S	C	.	.			trans	-92.8	110.5	174.7	-173.5	8.2	0	0	0	109.4	D914 D915 S918	N912-D914 PolarHBondContact O-N 3.15Å; N912-D914 VanDerWaalsContact OD1-CB 3.32Å; N912-D914 WeakPolarHBondContact OD1-CB 3.41Å; N912-D914 PolarHBondContact OD1-N 3.47Å; N912-D914 PolarHBondContact OD1-OD2 3.38Å; N912-D915 HydrophobicContact CB-CB 4.28Å; N912-D915 CarbonylContact O-C 3.53Å; N912-D915 VanDerWaalsContact O-C 3.22Å; N912-D915 PolarHBondContact O-N 3.15Å; N912-S918 WeakPolarHBondContact CA-OG 3.3Å; N912-S918 WeakPolarHBondContact CB-OG 3.33Å; N912-S918 PolarHBondContact N-OG 2.85Å; N912-S918 PolarHBondContact O-OG 3.32Å
913	E	76.6	Confident	78.8	Confident	21 Å²	21	34.6 Å²	34.6	10%	0.098	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.5	176.8	-61.1	-178.2	172.5	0	0	112.9	F911 P1066 R1067 K1070	F911-E913 HydrophobicContact CD1-CG 3.81Å; F911-E913 HydrophobicContact CE1-CB 4.41Å; F911-E913 HydrophobicContact CE1-CG 3.81Å; E913-P1066 HydrophobicContact CB-CG 4.3Å; E913-R1067 HydrophobicContact CB-CG 4.37Å; E913-R1067 PolarHBondContact O-NE 3.42Å; E913-K1070 VanDerWaalsContact OE1-CE 3.27Å; E913-K1070 WeakPolarHBondContact OE1-CE 3.26Å; E913-K1070 IonicContact OE1-NZ 3.51Å; E913-K1070 PolarHBondContact OE1-NZ 2.88Å; E913-K1070 IonicContact OE2-NZ 3.95Å; E913-K1070 PolarHBondContact OE2-NZ 2.96Å
914	D	66.6	Low	79.9	Confident	11 Å²	11	32.7 Å²	32.7	6%	0.059	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-20.8	170.4	-61.8	-97.7	0	0	0	112.8	R742 E753 N912 R1067	R742-D914 IonicContact CZ-OD2 2.72Å; R742-D914 IonicContact NH2-OD2 2.79Å; R742-D914 PolarHBondContact NH2-OD2 2.86Å; E753-D914 HydrophobicContact CB-CB 4.06Å; E753-D914 HydrophobicContact CG-CB 4.05Å; E753-D914 PolarHBondContact N-OD1 2.83Å; N912-D914 PolarHBondContact O-N 3.15Å; N912-D914 VanDerWaalsContact OD1-CB 3.32Å; N912-D914 WeakPolarHBondContact OD1-CB 3.41Å; N912-D914 PolarHBondContact OD1-N 3.47Å; N912-D914 PolarHBondContact OD1-OD2 3.38Å; D914-R1067 IonicContact OD1-CZ 3.5Å; D914-R1067 IonicContact OD1-NE 3.72Å; D914-R1067 IonicContact OD1-NH1 2.87Å; D914-R1067 PolarHBondContact OD1-NH1 3.07Å; D914-R1067 IonicContact OD1-NH2 2.74Å; D914-R1067 PolarHBondContact OD1-NH2 3.47Å
915	D	69.7	Low	80.6	Confident	34 Å²	34	31.6 Å²	31.6	18%	0.182	16%	0.161	C	C	.	.			trans	-133.2	92.4	-178.3	-177.9	12	0	0	0	110.7	N912 M917 S918	N912-D915 HydrophobicContact CB-CB 4.28Å; N912-D915 CarbonylContact O-C 3.53Å; N912-D915 VanDerWaalsContact O-C 3.22Å; N912-D915 PolarHBondContact O-N 3.15Å; D915-M917 PolarHBondContact O-N 2.86Å; D915-M917 WeakPolarHBondContact OD1-CB 3.46Å; D915-M917 WeakPolarHBondContact OD1-CG 3.34Å; D915-M917 PolarHBondContact OD1-N 3.04Å; D915-M917 VanDerWaalsContact OD1-N 3.07Å; D915-S918 VanDerWaalsContact O-CB 3.23Å; D915-S918 WeakPolarHBondContact O-CB 3.31Å; D915-S918 PolarHBondContact O-N 2.8Å; D915-S918 PolarHBondContact O-OG 2.98Å
916	P	68	Low	81	Confident	14 Å²	14	29.5 Å²	29.5	9%	0.091	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-54.8	-22.1	175.8	-26.5	35.5	0	0	0	113.9	T470 S918 W919	T470-P916 HydrophobicContact CG2-CB 4.39Å; P916-S918 PolarHBondContact O-N 3.34Å; P916-W919 WeakPolarHBondContact O-CB 3.49Å; P916-W919 PolarHBondContact O-N 3.01Å
917	M	65.6	Low	81.1	Confident	49 Å²	49	29 Å²	29	24%	0.241	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-71.5	-14.8	176	-54.4	-65.7	-67	0	0	113	C467 V468 T470 D915 W919	C467-M917 HydrophobicContact CB-CE 4.14Å; V468-M917 HydrophobicContact CB-CE 3.91Å; V468-M917 HydrophobicContact CB-SD 3.88Å; V468-M917 WeakPolarHBondContact O-CE 3.39Å; V468-M917 VanDerWaalsContact O-SD 3.33Å; T470-M917 HydrophobicContact CG2-CG 4.37Å; T470-M917 HydrophobicContact CG2-SD 3.37Å; T470-M917 WeakPolarHBondContact CG2-SD 3.42Å; D915-M917 PolarHBondContact O-N 2.86Å; D915-M917 WeakPolarHBondContact OD1-CB 3.46Å; D915-M917 WeakPolarHBondContact OD1-CG 3.34Å; D915-M917 PolarHBondContact OD1-N 3.04Å; D915-M917 VanDerWaalsContact OD1-N 3.07Å; M917-W919 PolarHBondContact O-N 3Å
918	S	72.9	Confident	81.1	Confident	34 Å²	34	29 Å²	29	24%	0.238	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-73.4	-3.2	173.5	72.3	0	0	0	0	113.3	F911 N912 D915 P916 T920	F911-S918 WeakPolarHBondContact CD2-OG 3.48Å; N912-S918 WeakPolarHBondContact CA-OG 3.3Å; N912-S918 WeakPolarHBondContact CB-OG 3.33Å; N912-S918 PolarHBondContact N-OG 2.85Å; N912-S918 PolarHBondContact O-OG 3.32Å; D915-S918 VanDerWaalsContact O-CB 3.23Å; D915-S918 WeakPolarHBondContact O-CB 3.31Å; D915-S918 PolarHBondContact O-N 2.8Å; D915-S918 PolarHBondContact O-OG 2.98Å; P916-S918 PolarHBondContact O-N 3.34Å; S918-T920 PolarHBondContact O-N 2.89Å
919	W	81	Confident	80.7	Confident	26 Å²	26	32.6 Å²	32.6	10%	0.098	16%	0.164	C	C	.	.			trans	-60.9	136.9	177.2	-173.9	83.5	0	0	0	111.2	F911 P916 M917 E921 W927 P930	F911-W919 HydrophobicContact CD2-CB 4.29Å; F911-W919 HydrophobicContact CE2-CB 3.88Å; P916-W919 WeakPolarHBondContact O-CB 3.49Å; P916-W919 PolarHBondContact O-N 3.01Å; M917-W919 PolarHBondContact O-N 3Å; W919-E921 HydrophobicContact CE3-CG 4.37Å; W919-E921 HydrophobicContact CH2-CB 4.23Å; W919-E921 HydrophobicContact CH2-CG 3.48Å; W919-E921 VanDerWaalsContact CH2-CG 3.48Å; W919-E921 HydrophobicContact CZ3-CB 4.31Å; W919-E921 HydrophobicContact CZ3-CG 3.31Å; W919-W927 PolarHBondContact NE1-O 3.05Å; W919-P930 HydrophobicContact CD2-CB 4.25Å; W919-P930 HydrophobicContact CE3-CB 4.29Å; W919-P930 HydrophobicContact CE3-CG 4.33Å; W919-P930 HydrophobicContact CH2-CG 4.36Å; W919-P930 HydrophobicContact CZ3-CG 4.21Å
920	T	79.1	Confident	80	Confident	19 Å²	19	34.6 Å²	34.6	12%	0.117	18%	0.177	C	C	.	.			trans	-126.1	142	178.8	49.2	0	0	0	0	110.5	V439 M442 V909 S918 D922 S925	V439-T920 HydrophobicContact CB-CG2 4.13Å; V439-T920 HydrophobicContact CG1-CG2 4.47Å; V439-T920 HydrophobicContact CG2-CG2 4.18Å; M442-T920 HydrophobicContact CE-CG2 4.03Å; M442-T920 HydrophobicContact SD-CG2 4.25Å; V909-T920 VanDerWaalsContact CG1-OG1 3.26Å; V909-T920 WeakPolarHBondContact CG1-OG1 3.31Å; S918-T920 PolarHBondContact O-N 2.89Å; T920-D922 PolarHBondContact O-N 2.77Å; T920-D922 VanDerWaalsContact O-N 3.08Å; T920-S925 PolarHBondContact O-OG 2.88Å; T920-S925 VanDerWaalsContact O-OG 3.13Å
921	E	81.4	Confident	79.4	Confident	148 Å²	148	35.6 Å²	35.6	69%	0.692	18%	0.18	S	C	*	.			trans	-70.7	98.5	176.5	-68.6	-178.2	-179.9	0	0	109.8	W919	W919-E921 HydrophobicContact CE3-CG 4.37Å; W919-E921 HydrophobicContact CH2-CB 4.23Å; W919-E921 HydrophobicContact CH2-CG 3.48Å; W919-E921 VanDerWaalsContact CH2-CG 3.48Å; W919-E921 HydrophobicContact CZ3-CB 4.31Å; W919-E921 HydrophobicContact CZ3-CG 3.31Å
922	D	87.3	Confident	79.4	Confident	33 Å²	33	38.4 Å²	38.4	18%	0.176	19%	0.193	C	C	.	.			trans	-149.8	145.6	177	-164.3	-67	0	0	0	111.2	V909 T920 L924 S925 Y997	V909-D922 HydrophobicContact CG1-CB 4.39Å; V909-D922 HydrophobicContact CG2-CB 3.89Å; T920-D922 PolarHBondContact O-N 2.77Å; T920-D922 VanDerWaalsContact O-N 3.08Å; D922-L924 PolarHBondContact O-N 3.35Å; D922-L924 PolarHBondContact OD1-N 3.47Å; D922-S925 WeakPolarHBondContact O-CB 3.13Å; D922-S925 PolarHBondContact O-N 3.27Å; D922-S925 PolarHBondContact O-OG 3.22Å; D922-Y997 WeakPolarHBondContact O-CD1 3.21Å
923	Y	88.8	Confident	79.8	Confident	56 Å²	56	36.2 Å²	36.2	22%	0.22	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-26.3	178.9	-83.4	-68.5	0	0	0	113.1	H959 K961 T962 Y967 L996 Y997 D998	Y923-H959 AromaticContact CE1-CE1 3.85Å; Y923-K961 HydrophobicContact CD1-CB 3.99Å; Y923-K961 HydrophobicContact CD1-CG 4.47Å; Y923-K961 HydrophobicContact CD2-CB 4.25Å; Y923-K961 HydrophobicContact CD2-CG 4.47Å; Y923-K961 HydrophobicContact CE1-CB 4.15Å; Y923-K961 HydrophobicContact CE1-CG 4.14Å; Y923-K961 HydrophobicContact CE2-CB 4.39Å; Y923-K961 HydrophobicContact CE2-CD 4.48Å; Y923-K961 HydrophobicContact CE2-CG 4.13Å; Y923-K961 HydrophobicContact CG-CB 4.05Å; Y923-T962 HydrophobicContact CD1-CG2 4.43Å; Y923-T962 WeakPolarHBondContact O-CG2 2.96Å; Y923-Y967 VanDerWaalsContact O-CE1 3.29Å; Y923-Y967 WeakPolarHBondContact O-CE1 3.46Å; Y923-L996 HydrophobicContact CD1-CD1 3.88Å; Y923-L996 HydrophobicContact CE1-CD1 4.41Å; Y923-Y997 HydrophobicContact CD1-CD1 4.3Å; Y923-Y997 AromaticContact CD1-CE1 3.65Å; Y923-Y997 HydrophobicContact CD1-CE1 3.65Å; Y923-Y997 AromaticContact CD2-CE1 3.79Å; Y923-Y997 HydrophobicContact CD2-CE1 3.79Å; Y923-Y997 AromaticContact CE1-CE1 3.78Å; Y923-Y997 HydrophobicContact CE1-CE1 3.78Å; Y923-Y997 AromaticContact CE2-CE1 3.93Å; Y923-Y997 HydrophobicContact CE2-CE1 3.93Å; Y923-Y997 AromaticContact CE2-CZ 3.87Å; Y923-Y997 WeakPolarHBondContact CE2-OH 3.31Å; Y923-Y997 AromaticContact CG-CE1 3.66Å; Y923-Y997 HydrophobicContact CG-CE1 3.66Å; Y923-Y997 AromaticContact CZ-CE1 3.91Å; Y923-Y997 AromaticContact CZ-CZ 3.92Å; Y923-D998 WeakPolarHBondContact CE1-OD2 3.48Å; Y923-D998 PolarHBondContact OH-OD2 3.42Å
924	L	90.6	Very high	80.4	Confident	17 Å²	17	37.9 Å²	37.9	9%	0.089	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	10	179.9	-59.1	-178.7	0	0	0	113	T908 V909 D922 W926 T962 Q965 Y967	T908-L924 HydrophobicContact CG2-CB 4.27Å; T908-L924 HydrophobicContact CG2-CD1 3.95Å; V909-L924 HydrophobicContact CG2-CB 3.98Å; D922-L924 PolarHBondContact O-N 3.35Å; D922-L924 PolarHBondContact OD1-N 3.47Å; L924-W926 PolarHBondContact O-N 2.82Å; L924-T962 HydrophobicContact CD2-CG2 4.22Å; L924-Q965 HydrophobicContact CD1-CB 4.34Å; L924-Q965 HydrophobicContact CD2-CB 3.65Å; L924-Y967 HydrophobicContact CD2-CD1 4.42Å; L924-Y967 HydrophobicContact CD2-CE1 4.35Å; L924-Y967 WeakPolarHBondContact O-CD1 3.36Å
925	S	90.6	Very high	81.6	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.042	18%	0.184	C	C	.	.			trans	-62.1	130.1	173.9	-73.7	0	0	0	0	111.4	T920 D922 W927	T920-S925 PolarHBondContact O-OG 2.88Å; T920-S925 VanDerWaalsContact O-OG 3.13Å; D922-S925 WeakPolarHBondContact O-CB 3.13Å; D922-S925 PolarHBondContact O-N 3.27Å; D922-S925 PolarHBondContact O-OG 3.22Å; S925-W927 PolarHBondContact O-N 2.93Å
926	W	91.6	Very high	82.8	Confident	7 Å²	7	35.8 Å²	35.8	3%	0.027	18%	0.176	C	C	.	.	S	Bend	trans	-61.8	-34.5	176.5	-171.2	-89.4	0	0	0	111.7	L924 N954 R970 E989 F990 K991	L924-W926 PolarHBondContact O-N 2.82Å; W926-N954 HydrophobicContact CH2-CB 4.19Å; W926-N954 WeakPolarHBondContact CH2-ND2 3.47Å; W926-N954 HydrophobicContact CZ3-CB 3.88Å; W926-R970 HydrophobicContact CH2-CG 3.83Å; W926-R970 HydrophobicContact CZ2-CG 4.16Å; W926-E989 HydrophobicContact CZ2-CG 4.19Å; W926-E989 PolarHBondContact NE1-OE1 3.18Å; W926-F990 VanDerWaalsContact CZ2-C 3.47Å; W926-K991 HydrophobicContact CD2-CB 4.18Å; W926-K991 HydrophobicContact CD2-CD 4.07Å; W926-K991 HydrophobicContact CE3-CB 4.02Å; W926-K991 HydrophobicContact CE3-CD 4.4Å; W926-K991 HydrophobicContact CG-CD 4.2Å; W926-K991 HydrophobicContact CH2-CB 3.79Å; W926-K991 HydrophobicContact CZ2-CB 3.93Å; W926-K991 VanDerWaalsContact CZ2-N 3.34Å; W926-K991 HydrophobicContact CZ3-CB 3.83Å; W926-K991 WeakPolarHBondContact O-CD 3.3Å; W926-K991 WeakPolarHBondContact O-CE 3.37Å; W926-K991 PolarHBondContact O-NZ 3.33Å
927	W	89.7	Confident	84	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.008	17%	0.171	C	C	.	.	S	Bend	trans	-107.2	104	174.1	-54.4	111.3	0	0	0	108.3	F911 W919 S925 K929 Y933 R934 A935 P1066 K1070	F911-W927 AromaticContact CD1-CD1 3.22Å; F911-W927 HydrophobicContact CD1-CG 4.44Å; F911-W927 AromaticContact CD1-NE1 3.47Å; F911-W927 AromaticContact CE1-CD1 3.34Å; F911-W927 HydrophobicContact CE1-CG 4.31Å; F911-W927 AromaticContact CE1-NE1 3.55Å; F911-W927 AromaticContact CG-CD1 3.95Å; W919-W927 PolarHBondContact NE1-O 3.05Å; S925-W927 PolarHBondContact O-N 2.93Å; W927-K929 VanDerWaalsContact C-N 3.31Å; W927-K929 PolarHBondContact O-N 2.96Å; W927-Y933 HydrophobicContact CB-CD1 3.66Å; W927-Y933 HydrophobicContact CB-CE1 3.73Å; W927-Y933 AromaticContact CD2-CD1 3.55Å; W927-Y933 HydrophobicContact CD2-CD1 3.55Å; W927-Y933 HydrophobicContact CD2-CE1 4.32Å; W927-Y933 HydrophobicContact CD2-CG 4.46Å; W927-Y933 AromaticContact CE3-CD1 3.68Å; W927-Y933 HydrophobicContact CE3-CD1 3.68Å; W927-Y933 HydrophobicContact CE3-CG 4.26Å; W927-Y933 AromaticContact CG-CD1 3.54Å; W927-Y933 HydrophobicContact CG-CD1 3.54Å; W927-Y933 AromaticContact CG-CE1 3.85Å; W927-Y933 HydrophobicContact CG-CE1 3.85Å; W927-Y933 HydrophobicContact CZ3-CD1 4.43Å; W927-R934 VanDerWaalsContact CZ3-C 3.48Å; W927-R934 WeakPolarHBondContact CZ3-O 3.25Å; W927-A935 HydrophobicContact CH2-CB 4.15Å; W927-P1066 HydrophobicContact CZ2-CB 4.05Å; W927-K1070 HydrophobicContact CH2-CG 4.35Å; W927-K1070 HydrophobicContact CZ2-CD 4.5Å; W927-K1070 HydrophobicContact CZ2-CG 4.48Å
928	P	84.6	Confident	85.4	Confident	19 Å²	19	32.8 Å²	32.8	12%	0.123	16%	0.16	C	C	.	.			trans	-75.3	-21.4	-170.5	27.8	-33.6	0	0	0	113.1	M995 L996 Y997	P928-M995 WeakPolarHBondContact CB-O 3.45Å; P928-M995 WeakPolarHBondContact CG-O 3.35Å; P928-L996 HydrophobicContact CB-CD2 4.3Å; P928-Y997 WeakPolarHBondContact O-CA 3.28Å; P928-Y997 WeakPolarHBondContact O-CB 3.48Å; P928-Y997 PolarHBondContact O-N 3.02Å
929	K	81.6	Confident	86.4	Confident	76 Å²	76	31.2 Å²	31.2	33%	0.33	15%	0.148	S	C	.	.	S	Bend	trans	-130.1	130.7	-175.1	-173.4	173.4	168.9	-170.6	0	109.8	W927 E932	W927-K929 VanDerWaalsContact C-N 3.31Å; W927-K929 PolarHBondContact O-N 2.96Å; K929-E932 HydrophobicContact CB-CB 4.32Å; K929-E932 HydrophobicContact CD-CB 3.95Å; K929-E932 VanDerWaalsContact CD-OE2 3.31Å; K929-E932 WeakPolarHBondContact CD-OE2 3.4Å; K929-E932 WeakPolarHBondContact CE-OE2 3.41Å; K929-E932 HydrophobicContact CG-CB 4.19Å; K929-E932 IonicContact NZ-OE2 2.79Å; K929-E932 PolarHBondContact NZ-OE2 2.75Å
930	P	71.9	Confident	87.1	Confident	44 Å²	44	30 Å²	30	29%	0.286	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	138	172.1	27.8	-32.7	0	0	0	108.9	V468 W919 E932	V468-P930 HydrophobicContact CG1-CB 4.43Å; W919-P930 HydrophobicContact CD2-CB 4.25Å; W919-P930 HydrophobicContact CE3-CB 4.29Å; W919-P930 HydrophobicContact CE3-CG 4.33Å; W919-P930 HydrophobicContact CH2-CG 4.36Å; W919-P930 HydrophobicContact CZ3-CG 4.21Å; P930-E932 PolarHBondContact O-N 3.08Å
931	M	70.9	Confident	87.9	Confident	51 Å²	51	30.9 Å²	30.9	25%	0.251	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	11.8	177.6	-43.6	-176.6	71	0	0	116.8	Q471 Q1064	Q471-M931 HydrophobicContact CB-CE 3.55Å; Q471-M931 HydrophobicContact CG-CE 3.68Å; Q471-M931 VanDerWaalsContact N-CE 3.25Å; M931-Q1064 WeakPolarHBondContact O-CA 3.34Å
932	E	81.9	Confident	88.5	Confident	90 Å²	90	23.8 Å²	23.8	42%	0.421	11%	0.113	S	C	.	.			trans	-134	79.3	169.2	-168.4	-179	158.2	0	0	109.2	K929 P930 T1062	K929-E932 HydrophobicContact CB-CB 4.32Å; K929-E932 HydrophobicContact CD-CB 3.95Å; K929-E932 VanDerWaalsContact CD-OE2 3.31Å; K929-E932 WeakPolarHBondContact CD-OE2 3.4Å; K929-E932 WeakPolarHBondContact CE-OE2 3.41Å; K929-E932 HydrophobicContact CG-CB 4.19Å; K929-E932 IonicContact NZ-OE2 2.79Å; K929-E932 PolarHBondContact NZ-OE2 2.75Å; P930-E932 PolarHBondContact O-N 3.08Å; E932-T1062 HydrophobicContact CG-CG2 3.58Å
933	Y	85.9	Confident	88.7	Confident	3 Å²	3	24.4 Å²	24.4	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	107.2	-175.2	-59.2	-76.5	0	0	0	110.1	F911 W927 T1062 E1063 Q1064 P1066 A1069	F911-Y933 HydrophobicContact CE1-CE1 4.28Å; F911-Y933 AromaticContact CZ-CE1 3.88Å; F911-Y933 HydrophobicContact CZ-CE1 3.88Å; W927-Y933 HydrophobicContact CB-CD1 3.66Å; W927-Y933 HydrophobicContact CB-CE1 3.73Å; W927-Y933 AromaticContact CD2-CD1 3.55Å; W927-Y933 HydrophobicContact CD2-CD1 3.55Å; W927-Y933 HydrophobicContact CD2-CE1 4.32Å; W927-Y933 HydrophobicContact CD2-CG 4.46Å; W927-Y933 AromaticContact CE3-CD1 3.68Å; W927-Y933 HydrophobicContact CE3-CD1 3.68Å; W927-Y933 HydrophobicContact CE3-CG 4.26Å; W927-Y933 AromaticContact CG-CD1 3.54Å; W927-Y933 HydrophobicContact CG-CD1 3.54Å; W927-Y933 AromaticContact CG-CE1 3.85Å; W927-Y933 HydrophobicContact CG-CE1 3.85Å; W927-Y933 HydrophobicContact CZ3-CD1 4.43Å; Y933-T1062 WeakPolarHBondContact O-CA 3.48Å; Y933-E1063 PolarHBondContact N-O 3.36Å; Y933-E1063 PolarHBondContact O-N 2.76Å; Y933-Q1064 VanDerWaalsContact CD2-O 3.28Å; Y933-Q1064 WeakPolarHBondContact CD2-O 3.31Å; Y933-Q1064 VanDerWaalsContact CE2-O 3.24Å; Y933-Q1064 WeakPolarHBondContact CE2-O 3.38Å; Y933-P1066 HydrophobicContact CD1-CB 3.77Å; Y933-P1066 HydrophobicContact CD1-CG 4.38Å; Y933-P1066 HydrophobicContact CD2-CB 4.18Å; Y933-P1066 HydrophobicContact CD2-CG 4.34Å; Y933-P1066 HydrophobicContact CE1-CB 4.21Å; Y933-P1066 HydrophobicContact CE1-CG 4.38Å; Y933-P1066 HydrophobicContact CE2-CG 4.34Å; Y933-P1066 HydrophobicContact CG-CB 3.73Å; Y933-P1066 HydrophobicContact CG-CG 4.34Å; Y933-A1069 WeakPolarHBondContact O-CB 3.17Å
934	R	89.8	Confident	88.7	Confident	56 Å²	56	22.1 Å²	22.1	21%	0.211	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	108.8	176.3	-169.6	178.7	176.2	179	4.8	111.3	W927 C992 S993 L1049 D1050 E1061 T1062	W927-R934 VanDerWaalsContact CZ3-C 3.48Å; W927-R934 WeakPolarHBondContact CZ3-O 3.25Å; R934-C992 VanDerWaalsContact C-SG 3.54Å; R934-C992 HydrophobicContact CB-CB 4.4Å; R934-C992 HydrophobicContact CG-CB 4.07Å; R934-C992 PolarHBondContact O-SG 3.24Å; R934-S993 PolarHBondContact NH1-O 3.32Å; R934-L1049 PolarHBondContact NH1-O 2.92Å; R934-L1049 PolarHBondContact NH2-O 3.26Å; R934-D1050 PolarHBondContact NH2-O 2.81Å; R934-E1061 CarbonylContact C-O 3.48Å; R934-E1061 VanDerWaalsContact CA-O 3.28Å; R934-E1061 WeakPolarHBondContact CA-O 3.06Å; R934-T1062 HydrophobicContact CB-CG2 4.25Å; R934-T1062 WeakPolarHBondContact CG-OG1 3.31Å
935	A	91.4	Very high	88.3	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138.4	177	0	0	0	0	0	110.8	W927 Y937 T1060 E1061 A1069 K1070 A1073	W927-A935 HydrophobicContact CH2-CB 4.15Å; A935-Y937 HydrophobicContact CB-CE2 4.36Å; A935-T1060 VanDerWaalsContact O-CA 3.27Å; A935-T1060 WeakPolarHBondContact O-CA 3.4Å; A935-E1061 PolarHBondContact N-O 3.4Å; A935-E1061 PolarHBondContact O-N 2.84Å; A935-A1069 HydrophobicContact CB-CB 3.98Å; A935-K1070 HydrophobicContact CB-CB 4.47Å; A935-K1070 HydrophobicContact CB-CG 4.01Å; A935-A1073 HydrophobicContact CB-CB 4.22Å
936	C	93.6	Very high	87.9	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.3	178.9	-66.5	0	0	0	0	111.4	E989 F990 C992 Y1059 T1060	C936-E989 WeakPolarHBondContact O-CA 3.19Å; C936-F990 HydrophobicContact CB-CD1 4.19Å; C936-F990 HydrophobicContact CB-CD2 3.96Å; C936-F990 HydrophobicContact CB-CE1 3.8Å; C936-F990 HydrophobicContact CB-CE2 3.53Å; C936-F990 HydrophobicContact CB-CG 4.28Å; C936-F990 HydrophobicContact CB-CZ 3.47Å; C936-F990 VanDerWaalsContact CB-CZ 3.47Å; C936-F990 PolarHBondContact O-N 2.93Å; C936-C992 HydrophobicContact CB-CB 4.23Å; C936-C992 WeakPolarHBondContact CB-SG 3.03Å; C936-C992 PolarHBondContact N-SG 2.84Å; C936-C992 VanDerWaalsContact SG-CA 3.55Å; C936-C992 WeakPolarHBondContact SG-CB 2.89Å; C936-C992 CovalentContact SG-SG 2.01Å; C936-C992 PolarHBondContact SG-SG 3.32Å; C936-Y1059 CarbonylContact C-O 3.36Å; C936-Y1059 WeakPolarHBondContact CA-O 3.39Å; C936-T1060 HydrophobicContact CB-CG2 4.3Å; C936-T1060 WeakPolarHBondContact SG-CG2 3.08Å
937	Y	93.8	Very high	87.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.8	174.8	-69	-95.6	0	0	0	111.4	R903 A935 C987 L988 E989 I1058 Y1059 K1070 A1073 L1074	R903-Y937 VanDerWaalsContact CZ-OH 3.26Å; R903-Y937 PolarHBondContact NH1-OH 3.12Å; R903-Y937 PolarHBondContact NH2-OH 3.25Å; A935-Y937 HydrophobicContact CB-CE2 4.36Å; Y937-C987 HydrophobicContact CD1-CB 4.27Å; Y937-L988 CarbonylContact C-O 3.6Å; Y937-L988 VanDerWaalsContact CA-O 3.31Å; Y937-L988 WeakPolarHBondContact CA-O 3.39Å; Y937-E989 HydrophobicContact CD1-CB 3.99Å; Y937-E989 HydrophobicContact CE1-CB 3.65Å; Y937-E989 HydrophobicContact CE1-CG 4.23Å; Y937-I1058 CarbonylContact O-C 3.56Å; Y937-I1058 VanDerWaalsContact O-CA 3.29Å; Y937-I1058 WeakPolarHBondContact O-CA 3.34Å; Y937-Y1059 PolarHBondContact N-O 3.33Å; Y937-Y1059 PolarHBondContact O-N 2.84Å; Y937-K1070 WeakPolarHBondContact CE2-O 2.95Å; Y937-K1070 PolarHBondContact OH-O 3.41Å; Y937-A1073 HydrophobicContact CD2-CB 3.63Å; Y937-A1073 HydrophobicContact CE2-CB 3.82Å; Y937-L1074 HydrophobicContact CD1-CD1 3.92Å; Y937-L1074 HydrophobicContact CE1-CB 4.41Å; Y937-L1074 HydrophobicContact CE1-CD1 3.64Å; Y937-L1074 HydrophobicContact CE2-CB 4.17Å
938	I	94.6	Very high	87.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.4	169.4	-173.4	168	0	0	0	109.2	V940 L988 F990 V1009 M1045 I1058 A1096 L1097	I938-V940 HydrophobicContact CG2-CG2 4.3Å; I938-L988 HydrophobicContact CG2-CB 4.01Å; I938-L988 HydrophobicContact CG2-CD2 4.41Å; I938-L988 PolarHBondContact N-O 2.82Å; I938-L988 PolarHBondContact O-N 2.91Å; I938-F990 HydrophobicContact CB-CD1 4.09Å; I938-F990 HydrophobicContact CB-CE1 3.89Å; I938-F990 HydrophobicContact CG2-CD1 3.99Å; I938-F990 HydrophobicContact CG2-CE1 4.31Å; I938-V1009 HydrophobicContact CG2-CG2 4.33Å; I938-M1045 HydrophobicContact CD1-CE 3.91Å; I938-M1045 HydrophobicContact CD1-SD 4.36Å; I938-I1058 HydrophobicContact CB-CG1 4.36Å; I938-I1058 HydrophobicContact CD1-CG1 4.36Å; I938-I1058 HydrophobicContact CG1-CG1 4.16Å; I938-A1096 HydrophobicContact CD1-CB 3.8Å; I938-A1096 HydrophobicContact CG1-CB 3.46Å; I938-A1096 VanDerWaalsContact CG1-CB 3.46Å; I938-L1097 HydrophobicContact CD1-CD1 3.66Å; I938-L1097 HydrophobicContact CD1-CG 4.01Å
939	K	95.1	Very high	87.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.5	177.9	-163.7	174.4	-163.2	165.4	0	111	V986 G1057 Y1059 C1077 F1078 K1090 E1093 G1094 V1095 A1096 L1097	K939-V986 WeakPolarHBondContact CA-O 3.43Å; K939-G1057 PolarHBondContact N-O 2.95Å; K939-Y1059 HydrophobicContact CB-CE2 4.03Å; K939-C1077 WeakPolarHBondContact CD-O 3.28Å; K939-C1077 VanDerWaalsContact CE-O 3.24Å; K939-C1077 WeakPolarHBondContact CE-O 3.02Å; K939-C1077 PolarHBondContact NZ-O 3.03Å; K939-F1078 PolarHBondContact NZ-O 3.17Å; K939-F1078 VanDerWaalsContact NZ-O 3.15Å; K939-K1090 WeakPolarHBondContact CE-O 3.47Å; K939-K1090 PolarHBondContact NZ-O 3.04Å; K939-E1093 VanDerWaalsContact CD-O 3.27Å; K939-E1093 WeakPolarHBondContact CD-O 3.33Å; K939-E1093 WeakPolarHBondContact CE-O 3.29Å; K939-E1093 PolarHBondContact NZ-O 2.89Å; K939-G1094 WeakPolarHBondContact CB-O 3.44Å; K939-G1094 WeakPolarHBondContact CD-O 3.09Å; K939-V1095 HydrophobicContact CD-CG2 4.35Å; K939-A1096 WeakPolarHBondContact O-CB 3.04Å; K939-A1096 PolarHBondContact O-N 2.86Å; K939-L1097 PolarHBondContact O-N 2.74Å
940	V	95.4	Very high	88.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.3	-177.8	-174	0	0	0	0	109.6	I938 I942 A985 V986 V1009 L1097 F1099	I938-V940 HydrophobicContact CG2-CG2 4.3Å; V940-I942 HydrophobicContact CG1-CG1 4.5Å; V940-A985 CarbonylContact O-C 3.52Å; V940-A985 VanDerWaalsContact O-CA 3.28Å; V940-A985 WeakPolarHBondContact O-CA 3.47Å; V940-V986 HydrophobicContact CB-CG1 3.74Å; V940-V986 HydrophobicContact CG2-CG1 4.43Å; V940-V986 PolarHBondContact N-O 3.24Å; V940-V986 PolarHBondContact O-N 2.78Å; V940-V1009 HydrophobicContact CG2-CG1 4.09Å; V940-L1097 CarbonylContact C-O 3.57Å; V940-L1097 WeakPolarHBondContact CA-O 2.98Å; V940-L1097 HydrophobicContact CG1-CB 4.19Å; V940-L1097 HydrophobicContact CG2-CB 4.32Å; V940-L1097 HydrophobicContact CG2-CD1 4.25Å; V940-F1099 HydrophobicContact CG1-CD2 3.66Å; V940-F1099 HydrophobicContact CG1-CE2 4Å
941	K	95.1	Very high	89.1	Confident	38 Å²	38	30.3 Å²	30.3	17%	0.165	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.8	172.7	-179.4	174.6	175.8	172.5	0	110	N943 V983 N1092 V1095 L1097 S1098 F1099	K941-N943 WeakPolarHBondContact CE-OD1 3.26Å; K941-V983 HydrophobicContact CD-CG1 4.45Å; K941-V983 HydrophobicContact CG-CG1 4.26Å; K941-N1092 PolarHBondContact NZ-OD1 2.67Å; K941-V1095 HydrophobicContact CB-CG1 3.72Å; K941-V1095 HydrophobicContact CB-CG2 4.4Å; K941-L1097 PolarHBondContact N-O 2.77Å; K941-S1098 CarbonylContact O-C 3.59Å; K941-S1098 VanDerWaalsContact O-CA 3.31Å; K941-S1098 WeakPolarHBondContact O-CA 3.4Å; K941-F1099 PolarHBondContact O-N 3.5Å
942	I	94.1	Very high	90.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	116.4	-179.3	-52.7	177.4	0	0	0	108.7	V940 S944 I948 V950 S984 V986 F1099	V940-I942 HydrophobicContact CG1-CG1 4.5Å; I942-S944 PolarHBondContact O-N 3.16Å; I942-I948 HydrophobicContact CD1-CB 4.34Å; I942-I948 HydrophobicContact CG2-CD1 4.1Å; I942-V950 HydrophobicContact CD1-CG2 3.36Å; I942-V950 HydrophobicContact CG1-CG2 4.42Å; I942-S984 PolarHBondContact N-O 2.84Å; I942-S984 PolarHBondContact O-N 2.8Å; I942-S984 PolarHBondContact O-OG 2.82Å; I942-V986 HydrophobicContact CD1-CG1 4.43Å; I942-F1099 WeakPolarHBondContact CA-O 3.34Å
943	N	93.1	Very high	90.9	Very high	46 Å²	46	28.1 Å²	28.1	25%	0.246	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	99.1	172.2	-57.9	-33.1	0	0	0	108.2	K941 N982 F1099 S1100 C1101	K941-N943 WeakPolarHBondContact CE-OD1 3.26Å; N943-N982 CarbonylContact C-O 3.45Å; N943-N982 WeakPolarHBondContact CA-O 3.36Å; N943-F1099 PolarHBondContact N-O 2.83Å; N943-S1100 PolarHBondContact ND2-OG 2.75Å; N943-C1101 PolarHBondContact O-N 2.72Å
944	S	88.1	Confident	91.3	Very high	8 Å²	8	28 Å²	28	6%	0.056	13%	0.132	C	C	.	.			trans	-158.2	147.1	-179.4	-173.4	0	0	0	0	110.8	I942 H946 N982	I942-S944 PolarHBondContact O-N 3.16Å; S944-H946 WeakPolarHBondContact CB-O 3.28Å; S944-H946 PolarHBondContact O-N 2.84Å; S944-H946 PolarHBondContact OG-N 2.8Å; S944-H946 PolarHBondContact OG-O 2.85Å; S944-N982 PolarHBondContact N-O 2.94Å; S944-N982 CarbonylContact O-C 3.52Å; S944-N982 VanDerWaalsContact O-C 3.23Å; S944-N982 WeakPolarHBondContact O-CA 3.33Å; S944-N982 VanDerWaalsContact O-O 3.14Å
945	P	81.1	Confident	91.6	Very high	47 Å²	47	26.8 Å²	26.8	31%	0.305	13%	0.129	S	C	.	.	S	Bend	trans	-71	-14.7	171.2	29.7	-36	0	0	0	113.5	D1103	P945-D1103 WeakPolarHBondContact CG-OD1 3.17Å
946	H	82.8	Confident	91.6	Very high	123 Å²	123	26.8 Å²	26.8	57%	0.569	13%	0.129	S	C	*	.	S	Bend	trans	-119.1	152.4	-178.2	-62.6	-53	0	0	0	111.4	S944 D1103	S944-H946 WeakPolarHBondContact CB-O 3.28Å; S944-H946 PolarHBondContact O-N 2.84Å; S944-H946 PolarHBondContact OG-N 2.8Å; S944-H946 PolarHBondContact OG-O 2.85Å; H946-D1103 IonicContact CD2-OD1 3.51Å; H946-D1103 IonicContact NE2-OD1 3.65Å
947	E	84.5	Confident	91.4	Very high	80 Å²	80	27.9 Å²	27.9	37%	0.374	14%	0.141	S	C	.	.			trans	-73.2	136.3	171	-67	171.3	176	0	0	109.7	R973 S974 R976	E947-R973 HydrophobicContact CB-CG 4.29Å; E947-R973 IonicContact OE2-CZ 2.61Å; E947-R973 IonicContact OE2-NE 2.83Å; E947-R973 PolarHBondContact OE2-NE 2.82Å; E947-R973 IonicContact OE2-NH2 3.44Å; E947-R973 PolarHBondContact OE2-NH2 2.76Å; E947-S974 WeakPolarHBondContact CA-OG 3.49Å; E947-S974 WeakPolarHBondContact CG-O 3.44Å; E947-R976 HydrophobicContact CG-CB 4.43Å
948	I	88.1	Confident	91.2	Very high	20 Å²	20	29.4 Å²	29.4	10%	0.103	15%	0.15	C	C	.	.			trans	-124.8	136.7	-174.7	-64.6	175.3	0	0	0	108.1	I942 S974 P1011 C1101	I942-I948 HydrophobicContact CD1-CB 4.34Å; I942-I948 HydrophobicContact CG2-CD1 4.1Å; I948-S974 PolarHBondContact N-OG 2.79Å; I948-S974 WeakPolarHBondContact O-CB 3.36Å; I948-S974 PolarHBondContact O-N 3.31Å; I948-S974 PolarHBondContact O-OG 2.87Å; I948-P1011 HydrophobicContact CG2-CB 4.41Å; I948-C1101 HydrophobicContact CD1-CB 3.43Å; I948-C1101 VanDerWaalsContact CD1-CB 3.43Å; I948-C1101 WeakPolarHBondContact CD1-SG 3.41Å
949	N	88.5	Confident	91	Very high	54 Å²	54	29.9 Å²	29.9	29%	0.289	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	132	169.9	-74.1	-8.4	0	0	0	109.4	R973 Q1012	N949-R973 VanDerWaalsContact OD1-CA 3.24Å; N949-R973 WeakPolarHBondContact OD1-CA 3.35Å; N949-R973 VanDerWaalsContact OD1-CB 3.22Å; N949-R973 WeakPolarHBondContact OD1-CB 3.36Å; N949-R973 WeakPolarHBondContact OD1-CG 3.42Å; N949-Q1012 HydrophobicContact CB-CB 4.24Å; N949-Q1012 HydrophobicContact CB-CG 4.2Å; N949-Q1012 VanDerWaalsContact O-CB 3.23Å; N949-Q1012 WeakPolarHBondContact O-CB 2.99Å; N949-Q1012 WeakPolarHBondContact O-CG 3.13Å; N949-Q1012 PolarHBondContact O-N 2.01Å
950	V	91.7	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.6	172	-172.2	0	0	0	0	108.4	I942 T972 V986 L988 V1009	I942-V950 HydrophobicContact CD1-CG2 3.36Å; I942-V950 HydrophobicContact CG1-CG2 4.42Å; V950-T972 PolarHBondContact N-O 2.78Å; V950-T972 PolarHBondContact O-N 3.42Å; V950-V986 HydrophobicContact CB-CG1 3.99Å; V950-V986 HydrophobicContact CG2-CG1 3.7Å; V950-L988 HydrophobicContact CG1-CD2 3.76Å; V950-L988 WeakPolarHBondContact O-CD1 3.44Å; V950-V1009 HydrophobicContact CG1-CG1 3.82Å
951	R	92.7	Very high	90.5	Very high	19 Å²	19	40.5 Å²	40.5	7%	0.072	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.4	179.8	-179.7	167.8	-71.1	175.8	-2.5	110.4	D398 Y452 R970 D971 I1010 Q1012	D398-R951 IonicContact OD1-CZ 2.77Å; D398-R951 IonicContact OD1-NH1 3.13Å; D398-R951 IonicContact OD1-NH2 3.61Å; D398-R951 PolarHBondContact OD1-NH2 3.35Å; D398-R951 IonicContact OD2-CZ 3.93Å; D398-R951 IonicContact OD2-NH1 2.68Å; D398-R951 PolarHBondContact OD2-NH1 2.89Å; D398-R951 IonicContact OD2-NH2 3.71Å; Y452-R951 PolarHBondContact OH-NH1 3.03Å; R951-R970 CarbonylContact C-O 3.52Å; R951-R970 VanDerWaalsContact CA-O 3.23Å; R951-R970 WeakPolarHBondContact CA-O 3.32Å; R951-D971 WeakPolarHBondContact CB-OD1 3.49Å; R951-D971 WeakPolarHBondContact CG-OD1 3.27Å; R951-D971 IonicContact CZ-OD1 2.85Å; R951-D971 IonicContact CZ-OD2 3.39Å; R951-D971 IonicContact NE-OD1 2.79Å; R951-D971 PolarHBondContact NE-OD1 3.02Å; R951-D971 IonicContact NE-OD2 3.53Å; R951-D971 PolarHBondContact NE-OD2 3.15Å; R951-D971 IonicContact NH2-OD1 3.55Å; R951-D971 IonicContact NH2-OD2 2.66Å; R951-D971 PolarHBondContact NH2-OD2 3.34Å; R951-I1010 PolarHBondContact N-O 2.7Å; R951-I1010 PolarHBondContact O-N 2.76Å; R951-Q1012 HydrophobicContact CB-CG 4.4Å
952	S	95.1	Very high	90.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.6	160.4	85	0	0	0	0	109.9	N954 L969 R970 E989 K1008	S952-N954 PolarHBondContact OG-ND2 3.46Å; S952-L969 VanDerWaalsContact O-CA 3.27Å; S952-L969 WeakPolarHBondContact O-CA 3.29Å; S952-R970 PolarHBondContact N-O 3.39Å; S952-R970 PolarHBondContact O-N 3.16Å; S952-R970 VanDerWaalsContact OG-CB 3.32Å; S952-R970 WeakPolarHBondContact OG-CB 3.44Å; S952-E989 WeakPolarHBondContact CB-O 3.3Å; S952-E989 PolarHBondContact OG-O 3.05Å; S952-K1008 CarbonylContact C-O 3.49Å; S952-K1008 VanDerWaalsContact CA-O 3.28Å; S952-K1008 WeakPolarHBondContact CA-O 3.26Å
953	R	94.2	Very high	90.3	Very high	95 Å²	95	42.5 Å²	42.5	36%	0.358	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122	172	176.5	175.8	-175.8	175.7	3.7	108.9	L966 L969 K1008	R953-L966 HydrophobicContact CG-CD1 3.84Å; R953-L969 HydrophobicContact CB-CD2 3.7Å; R953-L969 HydrophobicContact CG-CD2 3.66Å; R953-K1008 HydrophobicContact CB-CB 4.24Å; R953-K1008 PolarHBondContact N-O 2.93Å; R953-K1008 PolarHBondContact O-N 3Å
954	N	95.5	Very high	90.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.1	-167.1	-57.1	-92.2	0	0	0	110.2	W926 S952 L966 Y967 G968 F990 K991 T1005	W926-N954 HydrophobicContact CH2-CB 4.19Å; W926-N954 WeakPolarHBondContact CH2-ND2 3.47Å; W926-N954 HydrophobicContact CZ3-CB 3.88Å; S952-N954 PolarHBondContact OG-ND2 3.46Å; N954-L966 WeakPolarHBondContact O-CD1 3.49Å; N954-Y967 PolarHBondContact O-N 3.41Å; N954-G968 PolarHBondContact N-O 2.75Å; N954-G968 VanDerWaalsContact N-O 3.14Å; N954-G968 PolarHBondContact ND2-O 3.44Å; N954-F990 WeakPolarHBondContact OD1-CA 3.21Å; N954-F990 VanDerWaalsContact OD1-CB 3.28Å; N954-F990 WeakPolarHBondContact OD1-CB 3.33Å; N954-K991 HydrophobicContact CB-CB 3.97Å; N954-K991 PolarHBondContact OD1-N 3.16Å; N954-T1005 HydrophobicContact CB-CG2 4.19Å
955	M	94.8	Very high	90.3	Very high	30 Å²	30	46.6 Å²	46.6	15%	0.148	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	155.9	-176.7	-69	162.7	44.8	0	0	111.4	Q965 L966 T1005 L1006	M955-Q965 CarbonylContact C-O 3.44Å; M955-Q965 WeakPolarHBondContact CA-O 3.46Å; M955-Q965 VanDerWaalsContact CB-O 3.29Å; M955-Q965 WeakPolarHBondContact CB-O 3.21Å; M955-L966 HydrophobicContact CG-CD1 4.01Å; M955-T1005 WeakPolarHBondContact O-CG2 3.11Å; M955-L1006 HydrophobicContact CB-CB 4.37Å; M955-L1006 HydrophobicContact CE-CD2 4.19Å; M955-L1006 PolarHBondContact N-O 3.27Å; M955-L1006 PolarHBondContact O-N 2.84Å
956	G	92.7	Very high	90.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-64.9	137.7	170.5	0	0	0	0	0	111.2	T962 V963 G964 Q965 D1003	G956-T962 WeakPolarHBondContact CA-O 3.32Å; G956-T962 PolarHBondContact N-O 2.95Å; G956-V963 WeakPolarHBondContact O-CA 3.46Å; G956-G964 PolarHBondContact O-N 2.95Å; G956-Q965 PolarHBondContact N-O 3.33Å; G956-D1003 WeakPolarHBondContact CA-OD2 3Å
957	G	88.6	Confident	91.3	Very high	25 Å²	25	39.2 Å²	39.2	26%	0.258	22%	0.216	S	C	.	.			trans	-117.9	-37.8	-170.6	0	0	0	0	0	114.4	D1003 R1004	G957-D1003 PolarHBondContact N-OD1 3.26Å; G957-R1004 WeakPolarHBondContact CA-O 3.44Å; G957-R1004 PolarHBondContact N-O 3.49Å
958	T	89.6	Confident	91.7	Very high	31 Å²	31	35.4 Å²	35.4	19%	0.19	20%	0.198	C	C	.	.	S	Bend	trans	-127.1	-20.9	-175.1	56.9	0	0	0	0	114.6	V1002 D1003 R1004 P1033	T958-V1002 PolarHBondContact OG1-O 3.46Å; T958-D1003 PolarHBondContact N-OD1 3.48Å; T958-D1003 PolarHBondContact OG1-OD1 3.01Å; T958-R1004 HydrophobicContact CG2-CB 3.9Å; T958-R1004 HydrophobicContact CG2-CG 4.32Å; T958-R1004 PolarHBondContact OG1-N 3.45Å; T958-P1033 HydrophobicContact CG2-CG 4.43Å
959	H	90.8	Very high	91.9	Very high	11 Å²	11	34.6 Å²	34.6	5%	0.051	19%	0.194	C	C	.	.			trans	-81.4	129.4	-178.3	-170	-86.7	0	0	0	112.4	Y923 K961 T962 V963 L996 D1003	Y923-H959 AromaticContact CE1-CE1 3.85Å; H959-K961 PolarHBondContact ND1-N 3.09Å; H959-K961 PolarHBondContact O-N 3.15Å; H959-T962 WeakPolarHBondContact CB-OG1 3.18Å; H959-T962 PolarHBondContact O-N 3.17Å; H959-T962 PolarHBondContact O-OG1 3.05Å; H959-V963 WeakPolarHBondContact O-CG2 3.44Å; H959-V963 PolarHBondContact O-N 3.18Å; H959-L996 HydrophobicContact CB-CD1 4.06Å; H959-D1003 HydrophobicContact CB-CB 3.69Å; H959-D1003 WeakPolarHBondContact CB-OD1 3.44Å; H959-D1003 PolarHBondContact N-OD1 3.08Å
960	P	90.3	Very high	92	Very high	99 Å²	99	32 Å²	32	64%	0.643	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.9	-173.2	-26.5	34.1	0	0	0	115.4
961	K	89.8	Confident	91.9	Very high	124 Å²	124	32.3 Å²	32.3	54%	0.539	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-21.6	-180	-63.2	-71.1	-172.1	170.6	0	114.1	Y923 H959 Q965	Y923-K961 HydrophobicContact CD1-CB 3.99Å; Y923-K961 HydrophobicContact CD1-CG 4.47Å; Y923-K961 HydrophobicContact CD2-CB 4.25Å; Y923-K961 HydrophobicContact CD2-CG 4.47Å; Y923-K961 HydrophobicContact CE1-CB 4.15Å; Y923-K961 HydrophobicContact CE1-CG 4.14Å; Y923-K961 HydrophobicContact CE2-CB 4.39Å; Y923-K961 HydrophobicContact CE2-CD 4.48Å; Y923-K961 HydrophobicContact CE2-CG 4.13Å; Y923-K961 HydrophobicContact CG-CB 4.05Å; H959-K961 PolarHBondContact ND1-N 3.09Å; H959-K961 PolarHBondContact O-N 3.15Å; K961-Q965 PolarHBondContact O-NE2 2.87Å; K961-Q965 VanDerWaalsContact O-NE2 3.14Å; K961-Q965 PolarHBondContact O-OE1 2.89Å
962	T	92	Very high	91.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-13.5	-171.8	63.3	0	0	0	0	113.3	Y923 L924 G956 H959 G964 Q965 Y967 L996 D1003	Y923-T962 HydrophobicContact CD1-CG2 4.43Å; Y923-T962 WeakPolarHBondContact O-CG2 2.96Å; L924-T962 HydrophobicContact CD2-CG2 4.22Å; G956-T962 WeakPolarHBondContact CA-O 3.32Å; G956-T962 PolarHBondContact N-O 2.95Å; H959-T962 WeakPolarHBondContact CB-OG1 3.18Å; H959-T962 PolarHBondContact O-N 3.17Å; H959-T962 PolarHBondContact O-OG1 3.05Å; T962-G964 PolarHBondContact O-N 3.41Å; T962-G964 VanDerWaalsContact O-N 3.12Å; T962-Q965 WeakPolarHBondContact O-CB 3.35Å; T962-Q965 PolarHBondContact O-N 3.1Å; T962-Y967 WeakPolarHBondContact CB-OH 2.98Å; T962-Y967 HydrophobicContact CG2-CE1 4.47Å; T962-Y967 WeakPolarHBondContact CG2-OH 3.47Å; T962-Y967 PolarHBondContact OG1-OH 2.86Å; T962-L996 HydrophobicContact CG2-CD1 3.74Å; T962-D1003 PolarHBondContact OG1-OD2 2.8Å; T962-D1003 VanDerWaalsContact OG1-OD2 3.04Å
963	V	92.9	Very high	91.3	Very high	79 Å²	79	37.1 Å²	37.1	48%	0.479	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-49.3	120.5	-179.7	166.4	0	0	0	0	111.2	G956 H959 Q965	G956-V963 WeakPolarHBondContact O-CA 3.46Å; H959-V963 WeakPolarHBondContact O-CG2 3.44Å; H959-V963 PolarHBondContact O-N 3.18Å; V963-Q965 PolarHBondContact O-N 3.15Å
964	G	88.4	Confident	91	Very high	51 Å²	51	32.7 Å²	32.7	53%	0.526	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-8.2	179	0	0	0	0	0	115.4	G956 T962	G956-G964 PolarHBondContact O-N 2.95Å; T962-G964 PolarHBondContact O-N 3.41Å; T962-G964 VanDerWaalsContact O-N 3.12Å
965	Q	92.5	Very high	90.5	Very high	90 Å²	90	35.7 Å²	35.7	42%	0.421	20%	0.201	S	C	.	.			trans	-85.9	151.3	176.3	-58.4	-177.6	8.7	0	0	110.8	L924 M955 G956 K961 T962 V963	L924-Q965 HydrophobicContact CD1-CB 4.34Å; L924-Q965 HydrophobicContact CD2-CB 3.65Å; M955-Q965 CarbonylContact C-O 3.44Å; M955-Q965 WeakPolarHBondContact CA-O 3.46Å; M955-Q965 VanDerWaalsContact CB-O 3.29Å; M955-Q965 WeakPolarHBondContact CB-O 3.21Å; G956-Q965 PolarHBondContact N-O 3.33Å; K961-Q965 PolarHBondContact O-NE2 2.87Å; K961-Q965 VanDerWaalsContact O-NE2 3.14Å; K961-Q965 PolarHBondContact O-OE1 2.89Å; T962-Q965 WeakPolarHBondContact O-CB 3.35Å; T962-Q965 PolarHBondContact O-N 3.1Å; V963-Q965 PolarHBondContact O-N 3.15Å
966	L	92.5	Very high	89.9	Confident	15 Å²	15	39.8 Å²	39.8	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.6	-175.4	-171.3	75.5	0	0	0	110.5	L454 P455 T908 R953 N954 M955 L969	L454-L966 HydrophobicContact CD1-CD2 3.69Å; P455-L966 HydrophobicContact CG-CB 4.08Å; P455-L966 HydrophobicContact CG-CD2 4.24Å; T908-L966 WeakPolarHBondContact CB-O 3.33Å; T908-L966 PolarHBondContact OG1-O 3.02Å; R953-L966 HydrophobicContact CG-CD1 3.84Å; N954-L966 WeakPolarHBondContact O-CD1 3.49Å; M955-L966 HydrophobicContact CG-CD1 4.01Å; L966-L969 HydrophobicContact CD1-CD2 4.1Å
967	Y	92.9	Very high	89.4	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-40.8	167.9	-73.7	-68.3	0	0	0	111.8	T908 Y923 L924 N954 T962 K991 D1003 T1005	T908-Y967 PolarHBondContact N-O 3.29Å; Y923-Y967 VanDerWaalsContact O-CE1 3.29Å; Y923-Y967 WeakPolarHBondContact O-CE1 3.46Å; L924-Y967 HydrophobicContact CD2-CD1 4.42Å; L924-Y967 HydrophobicContact CD2-CE1 4.35Å; L924-Y967 WeakPolarHBondContact O-CD1 3.36Å; N954-Y967 PolarHBondContact O-N 3.41Å; T962-Y967 WeakPolarHBondContact CB-OH 2.98Å; T962-Y967 HydrophobicContact CG2-CE1 4.47Å; T962-Y967 WeakPolarHBondContact CG2-OH 3.47Å; T962-Y967 PolarHBondContact OG1-OH 2.86Å; Y967-K991 HydrophobicContact CD2-CG 4.08Å; Y967-K991 HydrophobicContact CE2-CG 4.47Å; Y967-K991 HydrophobicContact CG-CG 4.21Å; Y967-D1003 PolarHBondContact OH-OD2 3.23Å; Y967-T1005 HydrophobicContact CD2-CG2 4.17Å; Y967-T1005 HydrophobicContact CE2-CG2 4.37Å
968	G	92.2	Very high	88.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.8	176.6	-179.1	0	0	0	0	0	114	Y906 N954	Y906-G968 CarbonylContact O-C 3.56Å; Y906-G968 WeakPolarHBondContact O-CA 3.32Å; N954-G968 PolarHBondContact N-O 2.75Å; N954-G968 VanDerWaalsContact N-O 3.14Å; N954-G968 PolarHBondContact ND2-O 3.44Å
969	L	91.9	Very high	88.3	Confident	3 Å²	3	56 Å²	56	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	150.7	177.7	-51.9	176.5	0	0	0	110.6	P396 Y452 L454 Y906 S952 R953 L966	P396-L969 HydrophobicContact CG-CD1 4.46Å; Y452-L969 HydrophobicContact CE2-CD1 3.87Å; L454-L969 HydrophobicContact CD1-CD1 4.31Å; Y906-L969 HydrophobicContact CD2-CB 3.97Å; Y906-L969 PolarHBondContact N-O 2.93Å; Y906-L969 PolarHBondContact O-N 3.15Å; S952-L969 VanDerWaalsContact O-CA 3.27Å; S952-L969 WeakPolarHBondContact O-CA 3.29Å; R953-L969 HydrophobicContact CB-CD2 3.7Å; R953-L969 HydrophobicContact CG-CD2 3.66Å; L966-L969 HydrophobicContact CD1-CD2 4.1Å
970	R	91.3	Very high	87.9	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	123.9	169.5	-60.2	-70.9	-178	-96.4	7.5	109.8	D905 N907 W926 R951 S952 L988 E989	D905-R970 WeakPolarHBondContact OD1-CD 2.98Å; D905-R970 IonicContact OD1-NE 3.45Å; N907-R970 VanDerWaalsContact OD1-CZ 3.25Å; N907-R970 PolarHBondContact OD1-NH1 3.02Å; N907-R970 PolarHBondContact OD1-NH2 2.84Å; W926-R970 HydrophobicContact CH2-CG 3.83Å; W926-R970 HydrophobicContact CZ2-CG 4.16Å; R951-R970 CarbonylContact C-O 3.52Å; R951-R970 VanDerWaalsContact CA-O 3.23Å; R951-R970 WeakPolarHBondContact CA-O 3.32Å; S952-R970 PolarHBondContact N-O 3.39Å; S952-R970 PolarHBondContact O-N 3.16Å; S952-R970 VanDerWaalsContact OG-CB 3.32Å; S952-R970 WeakPolarHBondContact OG-CB 3.44Å; R970-L988 HydrophobicContact CB-CD1 4.49Å; R970-E989 VanDerWaalsContact CD-OE2 3.26Å; R970-E989 WeakPolarHBondContact CD-OE2 3.48Å; R970-E989 HydrophobicContact CG-CB 4.02Å; R970-E989 WeakPolarHBondContact CG-O 3.46Å; R970-E989 IonicContact CZ-OE2 2.72Å; R970-E989 IonicContact NE-OE2 3.25Å; R970-E989 PolarHBondContact NE-OE2 3.47Å; R970-E989 IonicContact NH2-OE2 3.59Å
971	D	89.1	Confident	87.3	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.027	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.1	171.5	-73.4	-12.5	0	0	0	109.3	R903 Y904 Y906 R951	R903-D971 WeakPolarHBondContact CA-O 3.13Å; Y904-D971 PolarHBondContact N-O 3.34Å; Y904-D971 PolarHBondContact O-N 3.14Å; Y906-D971 HydrophobicContact CE2-CB 4.06Å; R951-D971 WeakPolarHBondContact CB-OD1 3.49Å; R951-D971 WeakPolarHBondContact CG-OD1 3.27Å; R951-D971 IonicContact CZ-OD1 2.85Å; R951-D971 IonicContact CZ-OD2 3.39Å; R951-D971 IonicContact NE-OD1 2.79Å; R951-D971 PolarHBondContact NE-OD1 3.02Å; R951-D971 IonicContact NE-OD2 3.53Å; R951-D971 PolarHBondContact NE-OD2 3.15Å; R951-D971 IonicContact NH2-OD1 3.55Å; R951-D971 IonicContact NH2-OD2 2.66Å; R951-D971 PolarHBondContact NH2-OD2 3.34Å
972	T	87.8	Confident	87.2	Confident	18 Å²	18	56 Å²	56	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.1	175.4	-52.5	0	0	0	0	109.8	V950 V986	V950-T972 PolarHBondContact N-O 2.78Å; V950-T972 PolarHBondContact O-N 3.42Å; T972-V986 HydrophobicContact CG2-CG2 3.52Å
973	R	86.6	Confident	87.1	Confident	103 Å²	103	56.6 Å²	56.6	39%	0.389	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	135.9	174.9	-171	170.6	173.5	173	-1.5	111	D902 E947 N949	D902-R973 HydrophobicContact CB-CB 4.47Å; D902-R973 PolarHBondContact O-N 3.04Å; D902-R973 IonicContact OD2-NH1 3.19Å; E947-R973 HydrophobicContact CB-CG 4.29Å; E947-R973 IonicContact OE2-CZ 2.61Å; E947-R973 IonicContact OE2-NE 2.83Å; E947-R973 PolarHBondContact OE2-NE 2.82Å; E947-R973 IonicContact OE2-NH2 3.44Å; E947-R973 PolarHBondContact OE2-NH2 2.76Å; N949-R973 VanDerWaalsContact OD1-CA 3.24Å; N949-R973 WeakPolarHBondContact OD1-CA 3.35Å; N949-R973 VanDerWaalsContact OD1-CB 3.22Å; N949-R973 WeakPolarHBondContact OD1-CB 3.36Å; N949-R973 WeakPolarHBondContact OD1-CG 3.42Å
974	S	88	Confident	87	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-68.4	145.4	175.3	71.9	0	0	0	0	112.1	E947 I948 S984	E947-S974 WeakPolarHBondContact CA-OG 3.49Å; E947-S974 WeakPolarHBondContact CG-O 3.44Å; I948-S974 PolarHBondContact N-OG 2.79Å; I948-S974 WeakPolarHBondContact O-CB 3.36Å; I948-S974 PolarHBondContact O-N 3.31Å; I948-S974 PolarHBondContact O-OG 2.87Å; S974-S984 WeakPolarHBondContact CB-OG 2.99Å; S974-S984 WeakPolarHBondContact OG-CB 3.3Å; S974-S984 PolarHBondContact OG-OG 2.88Å
975	I	85.4	Confident	87.2	Confident	62 Å²	62	50.5 Å²	50.5	32%	0.318	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.5	179.1	-58.8	173.7	0	0	0	107.8	S984 A985 F1078 M1089	I975-S984 CarbonylContact O-C 3.52Å; I975-S984 WeakPolarHBondContact O-CA 3.35Å; I975-S984 WeakPolarHBondContact O-CB 3.03Å; I975-A985 PolarHBondContact N-O 3.42Å; I975-A985 PolarHBondContact O-N 3.38Å; I975-F1078 HydrophobicContact CD1-CE1 3.69Å; I975-F1078 HydrophobicContact CD1-CZ 3.48Å; I975-F1078 VanDerWaalsContact CD1-CZ 3.48Å; I975-M1089 HydrophobicContact CB-CB 4.33Å; I975-M1089 HydrophobicContact CD1-CB 4.47Å; I975-M1089 HydrophobicContact CD1-CE 4.1Å; I975-M1089 HydrophobicContact CG2-CB 4.17Å
976	R	83.4	Confident	87.2	Confident	116 Å²	116	46.2 Å²	46.2	44%	0.438	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	142.5	179	-160.9	179.6	-172.5	179.3	3.8	111.5	E947 A981	E947-R976 HydrophobicContact CG-CB 4.43Å; R976-A981 PolarHBondContact NE-O 2.88Å; R976-A981 PolarHBondContact NH2-O 3.02Å
977	D	81.9	Confident	87.2	Confident	26 Å²	26	45.7 Å²	45.7	14%	0.139	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-69.4	135.5	169.9	-164	-78.7	0	0	0	110.4	E979 Q980 V983 T1091	D977-E979 VanDerWaalsContact C-N 3.33Å; D977-E979 WeakPolarHBondContact OD1-CA 3.36Å; D977-E979 WeakPolarHBondContact OD1-CB 3.39Å; D977-E979 PolarHBondContact OD1-N 2.83Å; D977-Q980 HydrophobicContact CB-CB 3.98Å; D977-Q980 PolarHBondContact OD1-N 2.68Å; D977-V983 HydrophobicContact CB-CB 4.33Å; D977-V983 WeakPolarHBondContact CB-O 3.37Å; D977-V983 PolarHBondContact N-O 2.85Å; D977-T1091 HydrophobicContact CB-CG2 3.75Å; D977-T1091 WeakPolarHBondContact OD2-CB 3.04Å; D977-T1091 WeakPolarHBondContact OD2-CG2 3.14Å; D977-T1091 PolarHBondContact OD2-OG1 3.19Å
978	M	74.9	Confident	87.2	Confident	187 Å²	187	45.7 Å²	45.7	92%	0.921	22%	0.224	S	C	*	.	S	Bend	trans	-74.9	-25	-178.7	-67	-68.4	-87.3	0	0	112.5
979	E	80	Confident	87.3	Confident	184 Å²	184	45.7 Å²	45.7	86%	0.86	22%	0.224	S	C	*	.	S	Bend	trans	-97.9	-30.9	179.9	-57.1	-166.4	158.8	0	0	111.9	D977	D977-E979 VanDerWaalsContact C-N 3.33Å; D977-E979 WeakPolarHBondContact OD1-CA 3.36Å; D977-E979 WeakPolarHBondContact OD1-CB 3.39Å; D977-E979 PolarHBondContact OD1-N 2.83Å
980	Q	82.3	Confident	87.5	Confident	79 Å²	79	45.7 Å²	45.7	37%	0.369	22%	0.224	S	C	.	.			trans	-112.9	102.9	-176.2	-60.8	-178.9	29.5	0	0	112.6	D977 N982 V983 N1092	D977-Q980 HydrophobicContact CB-CB 3.98Å; D977-Q980 PolarHBondContact OD1-N 2.68Å; Q980-N982 PolarHBondContact O-N 3.27Å; Q980-V983 HydrophobicContact CB-CB 4.03Å; Q980-V983 HydrophobicContact CB-CG2 4.15Å; Q980-V983 PolarHBondContact O-N 2.75Å; Q980-N1092 PolarHBondContact NE2-ND2 3.11Å
981	A	77.8	Confident	87.6	Confident	55 Å²	55	46.1 Å²	46.1	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.9	-175	0	0	0	0	0	115.7	R976	R976-A981 PolarHBondContact NE-O 2.88Å; R976-A981 PolarHBondContact NH2-O 3.02Å
982	N	87.6	Confident	87.8	Confident	101 Å²	101	46.1 Å²	46.1	54%	0.54	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	14.8	-175.6	-64.6	-12.8	0	0	0	113.4	N943 S944 Q980	N943-N982 CarbonylContact C-O 3.45Å; N943-N982 WeakPolarHBondContact CA-O 3.36Å; S944-N982 PolarHBondContact N-O 2.94Å; S944-N982 CarbonylContact O-C 3.52Å; S944-N982 VanDerWaalsContact O-C 3.23Å; S944-N982 WeakPolarHBondContact O-CA 3.33Å; S944-N982 VanDerWaalsContact O-O 3.14Å; Q980-N982 PolarHBondContact O-N 3.27Å
983	V	90.3	Very high	88	Confident	13 Å²	13	45.4 Å²	45.4	8%	0.079	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.6	180	177.5	0	0	0	0	108.8	K941 D977 Q980	K941-V983 HydrophobicContact CD-CG1 4.45Å; K941-V983 HydrophobicContact CG-CG1 4.26Å; D977-V983 HydrophobicContact CB-CB 4.33Å; D977-V983 WeakPolarHBondContact CB-O 3.37Å; D977-V983 PolarHBondContact N-O 2.85Å; Q980-V983 HydrophobicContact CB-CB 4.03Å; Q980-V983 HydrophobicContact CB-CG2 4.15Å; Q980-V983 PolarHBondContact O-N 2.75Å
984	S	90.9	Very high	88.1	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.3	166.7	61.3	0	0	0	0	109.3	I942 S974 I975	I942-S984 PolarHBondContact N-O 2.84Å; I942-S984 PolarHBondContact O-N 2.8Å; I942-S984 PolarHBondContact O-OG 2.82Å; S974-S984 WeakPolarHBondContact CB-OG 2.99Å; S974-S984 WeakPolarHBondContact OG-CB 3.3Å; S974-S984 PolarHBondContact OG-OG 2.88Å; I975-S984 CarbonylContact O-C 3.52Å; I975-S984 WeakPolarHBondContact O-CA 3.35Å; I975-S984 WeakPolarHBondContact O-CB 3.03Å
985	A	92	Very high	88.1	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	157	172.7	0	0	0	0	0	110.8	V940 I975 M1089 T1091	V940-A985 CarbonylContact O-C 3.52Å; V940-A985 VanDerWaalsContact O-CA 3.28Å; V940-A985 WeakPolarHBondContact O-CA 3.47Å; I975-A985 PolarHBondContact N-O 3.42Å; I975-A985 PolarHBondContact O-N 3.38Å; A985-M1089 HydrophobicContact CB-CG 3.8Å; A985-M1089 HydrophobicContact CB-SD 3.88Å; A985-T1091 HydrophobicContact CB-CG2 3.89Å
986	V	92.1	Very high	88.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	138.5	178.2	65	0	0	0	0	109.9	K939 V940 I942 V950 T972	K939-V986 WeakPolarHBondContact CA-O 3.43Å; V940-V986 HydrophobicContact CB-CG1 3.74Å; V940-V986 HydrophobicContact CG2-CG1 4.43Å; V940-V986 PolarHBondContact N-O 3.24Å; V940-V986 PolarHBondContact O-N 2.78Å; I942-V986 HydrophobicContact CD1-CG1 4.43Å; V950-V986 HydrophobicContact CB-CG1 3.99Å; V950-V986 HydrophobicContact CG2-CG1 3.7Å; T972-V986 HydrophobicContact CG2-CG2 3.52Å
987	C	92.6	Very high	88.2	Confident	4 Å²	4	40.4 Å²	40.4	3%	0.027	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	100	167	-77.6	0	0	0	0	107.6	Y937 L1074 C1077 F1078 M1089	Y937-C987 HydrophobicContact CD1-CB 4.27Å; C987-L1074 HydrophobicContact CB-CD1 3.62Å; C987-C1077 VanDerWaalsContact CA-SG 3.58Å; C987-C1077 HydrophobicContact CB-CB 3.84Å; C987-C1077 WeakPolarHBondContact CB-SG 3.48Å; C987-C1077 WeakPolarHBondContact SG-CB 3.42Å; C987-C1077 CovalentContact SG-SG 2.03Å; C987-C1077 PolarHBondContact SG-SG 2.97Å; C987-F1078 HydrophobicContact CB-CD2 4.07Å; C987-F1078 HydrophobicContact CB-CE2 3.97Å; C987-M1089 HydrophobicContact CB-CE 4.27Å
988	L	93.8	Very high	88.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.3	-171.9	-177.7	68.5	0	0	0	110.3	Y937 I938 V950 R970 V1009	Y937-L988 CarbonylContact C-O 3.6Å; Y937-L988 VanDerWaalsContact CA-O 3.31Å; Y937-L988 WeakPolarHBondContact CA-O 3.39Å; I938-L988 HydrophobicContact CG2-CB 4.01Å; I938-L988 HydrophobicContact CG2-CD2 4.41Å; I938-L988 PolarHBondContact N-O 2.82Å; I938-L988 PolarHBondContact O-N 2.91Å; V950-L988 HydrophobicContact CG1-CD2 3.76Å; V950-L988 WeakPolarHBondContact O-CD1 3.44Å; R970-L988 HydrophobicContact CB-CD1 4.49Å; L988-V1009 HydrophobicContact CD2-CB 4.38Å; L988-V1009 HydrophobicContact CD2-CG1 3.8Å; L988-V1009 HydrophobicContact CD2-CG2 4.11Å
989	E	94.4	Very high	88.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	142	175.6	-168.2	-167.9	-171.6	0	0	111.1	R903 W926 C936 Y937 S952 R970 K1070	R903-E989 IonicContact CZ-OE2 3.19Å; R903-E989 IonicContact NH2-OE1 3.33Å; R903-E989 IonicContact NH2-OE2 2.76Å; R903-E989 PolarHBondContact NH2-OE2 2.93Å; W926-E989 HydrophobicContact CZ2-CG 4.19Å; W926-E989 PolarHBondContact NE1-OE1 3.18Å; C936-E989 WeakPolarHBondContact O-CA 3.19Å; Y937-E989 HydrophobicContact CD1-CB 3.99Å; Y937-E989 HydrophobicContact CE1-CB 3.65Å; Y937-E989 HydrophobicContact CE1-CG 4.23Å; S952-E989 WeakPolarHBondContact CB-O 3.3Å; S952-E989 PolarHBondContact OG-O 3.05Å; R970-E989 VanDerWaalsContact CD-OE2 3.26Å; R970-E989 WeakPolarHBondContact CD-OE2 3.48Å; R970-E989 HydrophobicContact CG-CB 4.02Å; R970-E989 WeakPolarHBondContact CG-O 3.46Å; R970-E989 IonicContact CZ-OE2 2.72Å; R970-E989 IonicContact NE-OE2 3.25Å; R970-E989 PolarHBondContact NE-OE2 3.47Å; R970-E989 IonicContact NH2-OE2 3.59Å; E989-K1070 VanDerWaalsContact CD-CE 3.47Å; E989-K1070 WeakPolarHBondContact OE1-CE 3.47Å; E989-K1070 IonicContact OE1-NZ 3.98Å; E989-K1070 WeakPolarHBondContact OE2-CE 3.45Å; E989-K1070 IonicContact OE2-NZ 2.86Å
990	F	94.8	Very high	88.9	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	160.3	170	68	-92.3	0	0	0	111.1	W926 C936 I938 N954 C992 V1007 M1045 A1047 I1058	W926-F990 VanDerWaalsContact CZ2-C 3.47Å; C936-F990 HydrophobicContact CB-CD1 4.19Å; C936-F990 HydrophobicContact CB-CD2 3.96Å; C936-F990 HydrophobicContact CB-CE1 3.8Å; C936-F990 HydrophobicContact CB-CE2 3.53Å; C936-F990 HydrophobicContact CB-CG 4.28Å; C936-F990 HydrophobicContact CB-CZ 3.47Å; C936-F990 VanDerWaalsContact CB-CZ 3.47Å; C936-F990 PolarHBondContact O-N 2.93Å; I938-F990 HydrophobicContact CB-CD1 4.09Å; I938-F990 HydrophobicContact CB-CE1 3.89Å; I938-F990 HydrophobicContact CG2-CD1 3.99Å; I938-F990 HydrophobicContact CG2-CE1 4.31Å; N954-F990 WeakPolarHBondContact OD1-CA 3.21Å; N954-F990 VanDerWaalsContact OD1-CB 3.28Å; N954-F990 WeakPolarHBondContact OD1-CB 3.33Å; F990-C992 PolarHBondContact O-N 3.47Å; F990-V1007 HydrophobicContact CB-CG1 3.65Å; F990-V1007 HydrophobicContact CB-CG2 4.05Å; F990-V1007 HydrophobicContact CD2-CG1 4.49Å; F990-V1007 HydrophobicContact CD2-CG2 3.7Å; F990-V1007 HydrophobicContact CG-CG1 4.14Å; F990-V1007 HydrophobicContact CG-CG2 4.16Å; F990-M1045 HydrophobicContact CD1-CE 4.48Å; F990-M1045 HydrophobicContact CE1-CE 4.16Å; F990-M1045 HydrophobicContact CE2-CE 4.28Å; F990-M1045 HydrophobicContact CZ-CE 4.04Å; F990-A1047 HydrophobicContact CD2-CB 4.07Å; F990-A1047 HydrophobicContact CE2-CB 3.61Å; F990-I1058 HydrophobicContact CE1-CG2 4.16Å; F990-I1058 HydrophobicContact CZ-CD1 4.4Å; F990-I1058 HydrophobicContact CZ-CG2 3.78Å
991	K	94.3	Very high	89.2	Confident	10 Å²	10	37.9 Å²	37.9	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	118.9	-179.6	168.9	74	179.1	91.1	0	109.9	W926 N954 Y967 T1005	W926-K991 HydrophobicContact CD2-CB 4.18Å; W926-K991 HydrophobicContact CD2-CD 4.07Å; W926-K991 HydrophobicContact CE3-CB 4.02Å; W926-K991 HydrophobicContact CE3-CD 4.4Å; W926-K991 HydrophobicContact CG-CD 4.2Å; W926-K991 HydrophobicContact CH2-CB 3.79Å; W926-K991 HydrophobicContact CZ2-CB 3.93Å; W926-K991 VanDerWaalsContact CZ2-N 3.34Å; W926-K991 HydrophobicContact CZ3-CB 3.83Å; W926-K991 WeakPolarHBondContact O-CD 3.3Å; W926-K991 WeakPolarHBondContact O-CE 3.37Å; W926-K991 PolarHBondContact O-NZ 3.33Å; N954-K991 HydrophobicContact CB-CB 3.97Å; N954-K991 PolarHBondContact OD1-N 3.16Å; Y967-K991 HydrophobicContact CD2-CG 4.08Å; Y967-K991 HydrophobicContact CE2-CG 4.47Å; Y967-K991 HydrophobicContact CG-CG 4.21Å; K991-T1005 HydrophobicContact CB-CG2 3.8Å; K991-T1005 HydrophobicContact CG-CG2 3.88Å; K991-T1005 VanDerWaalsContact O-CB 3.24Å; K991-T1005 WeakPolarHBondContact O-CB 3.02Å; K991-T1005 WeakPolarHBondContact O-CG2 3.43Å; K991-T1005 PolarHBondContact O-OG1 3.22Å; K991-T1005 VanDerWaalsContact O-OG1 3.05Å
992	C	93.4	Very high	89.7	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.034	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-62.5	144.7	176.3	-56.5	0	0	0	0	112.4	R934 C936 F990 T1005	R934-C992 VanDerWaalsContact C-SG 3.54Å; R934-C992 HydrophobicContact CB-CB 4.4Å; R934-C992 HydrophobicContact CG-CB 4.07Å; R934-C992 PolarHBondContact O-SG 3.24Å; C936-C992 HydrophobicContact CB-CB 4.23Å; C936-C992 WeakPolarHBondContact CB-SG 3.03Å; C936-C992 PolarHBondContact N-SG 2.84Å; C936-C992 VanDerWaalsContact SG-CA 3.55Å; C936-C992 WeakPolarHBondContact SG-CB 2.89Å; C936-C992 CovalentContact SG-SG 2.01Å; C936-C992 PolarHBondContact SG-SG 3.32Å; F990-C992 PolarHBondContact O-N 3.47Å; C992-T1005 PolarHBondContact O-OG1 2.84Å
993	S	91.6	Very high	89.9	Confident	2 Å²	2	33 Å²	33	1%	0.014	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-70.7	147	165.7	-62.7	0	0	0	0	110.7	R934 D1003 R1004 T1005 A1047	R934-S993 PolarHBondContact NH1-O 3.32Å; S993-D1003 WeakPolarHBondContact CA-O 3.41Å; S993-D1003 WeakPolarHBondContact CB-O 3.21Å; S993-R1004 WeakPolarHBondContact OG-CA 3.46Å; S993-T1005 PolarHBondContact OG-N 3.36Å; S993-T1005 VanDerWaalsContact OG-N 3.13Å; S993-A1047 WeakPolarHBondContact OG-CB 3.4Å; S993-A1047 PolarHBondContact OG-O 3.3Å
994	G	89.4	Confident	90	Very high	18 Å²	18	33.7 Å²	33.7	19%	0.186	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	-172.8	-178.4	0	0	0	0	0	113.1	V1002 D1003	G994-V1002 WeakPolarHBondContact O-CA 3.36Å; G994-D1003 PolarHBondContact N-O 3.02Å; G994-D1003 PolarHBondContact O-N 2.85Å
995	M	87.3	Confident	90.1	Very high	79 Å²	79	33.7 Å²	33.7	39%	0.389	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	143.2	172.2	-59.7	-63.2	-72.5	0	0	110	P928 Q999 V1002	P928-M995 WeakPolarHBondContact CB-O 3.45Å; P928-M995 WeakPolarHBondContact CG-O 3.35Å; M995-Q999 HydrophobicContact CE-CB 4.21Å; M995-Q999 WeakPolarHBondContact CE-O 3.22Å; M995-V1002 HydrophobicContact CG-CG2 4.43Å; M995-V1002 HydrophobicContact SD-CB 4.27Å; M995-V1002 HydrophobicContact SD-CG2 3.38Å; M995-V1002 WeakPolarHBondContact SD-CG2 3.12Å
996	L	88.1	Confident	90.2	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	17%	0.173	C	C	.	.			trans	-83.4	179	168.6	-58.2	-176.2	0	0	0	110.3	Y923 P928 H959 T962 D998 Q999 D1003	Y923-L996 HydrophobicContact CD1-CD1 3.88Å; Y923-L996 HydrophobicContact CE1-CD1 4.41Å; P928-L996 HydrophobicContact CB-CD2 4.3Å; H959-L996 HydrophobicContact CB-CD1 4.06Å; T962-L996 HydrophobicContact CG2-CD1 3.74Å; L996-D998 PolarHBondContact O-N 3.27Å; L996-Q999 PolarHBondContact O-N 3.3Å; L996-D1003 HydrophobicContact CD1-CB 4.16Å; L996-D1003 HydrophobicContact CD2-CB 4.03Å; L996-D1003 HydrophobicContact CG-CB 4.07Å
997	Y	82.6	Confident	90.4	Very high	76 Å²	76	35.5 Å²	35.5	30%	0.298	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.1	-173.8	76.1	-90.5	0	0	0	113.5	D922 Y923 P928 Q999	D922-Y997 WeakPolarHBondContact O-CD1 3.21Å; Y923-Y997 HydrophobicContact CD1-CD1 4.3Å; Y923-Y997 AromaticContact CD1-CE1 3.65Å; Y923-Y997 HydrophobicContact CD1-CE1 3.65Å; Y923-Y997 AromaticContact CD2-CE1 3.79Å; Y923-Y997 HydrophobicContact CD2-CE1 3.79Å; Y923-Y997 AromaticContact CE1-CE1 3.78Å; Y923-Y997 HydrophobicContact CE1-CE1 3.78Å; Y923-Y997 AromaticContact CE2-CE1 3.93Å; Y923-Y997 HydrophobicContact CE2-CE1 3.93Å; Y923-Y997 AromaticContact CE2-CZ 3.87Å; Y923-Y997 WeakPolarHBondContact CE2-OH 3.31Å; Y923-Y997 AromaticContact CG-CE1 3.66Å; Y923-Y997 HydrophobicContact CG-CE1 3.66Å; Y923-Y997 AromaticContact CZ-CE1 3.91Å; Y923-Y997 AromaticContact CZ-CZ 3.92Å; P928-Y997 WeakPolarHBondContact O-CA 3.28Å; P928-Y997 WeakPolarHBondContact O-CB 3.48Å; P928-Y997 PolarHBondContact O-N 3.02Å; Y997-Q999 PolarHBondContact O-N 2.89Å
998	D	84.1	Confident	90.5	Very high	36 Å²	36	37.9 Å²	37.9	19%	0.193	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-14.1	177.3	61.9	3.8	0	0	0	113.6	Y923 L996 D1000	Y923-D998 WeakPolarHBondContact CE1-OD2 3.48Å; Y923-D998 PolarHBondContact OH-OD2 3.42Å; L996-D998 PolarHBondContact O-N 3.27Å; D998-D1000 PolarHBondContact O-N 2.81Å; D998-D1000 VanDerWaalsContact O-N 3.12Å; D998-D1000 PolarHBondContact OD1-N 3.36Å
999	Q	83.7	Confident	90.6	Very high	114 Å²	114	37.9 Å²	37.9	53%	0.533	18%	0.183	S	C	.	.			trans	54.1	23.7	-176.2	-56.7	-169.9	-1.3	0	0	114.6	M995 L996 Y997	M995-Q999 HydrophobicContact CE-CB 4.21Å; M995-Q999 WeakPolarHBondContact CE-O 3.22Å; L996-Q999 PolarHBondContact O-N 3.3Å; Y997-Q999 PolarHBondContact O-N 2.89Å
1000	D	84.7	Confident	90.5	Very high	131 Å²	131	39.7 Å²	39.7	70%	0.701	19%	0.192	S	C	*	.	S	Bend	trans	-82.6	-43.1	-178.5	-80.5	-18	0	0	0	112	D998	D998-D1000 PolarHBondContact O-N 2.81Å; D998-D1000 VanDerWaalsContact O-N 3.12Å; D998-D1000 PolarHBondContact OD1-N 3.36Å
1001	R	88.1	Confident	90.4	Very high	142 Å²	142	40 Å²	40	54%	0.536	19%	0.194	S	C	.	.	S	Bend	trans	-152.1	149.9	-175.8	-173	176.6	-173.8	-168.1	1.4	112.6
1002	V	88.6	Confident	90.1	Very high	53 Å²	53	43.7 Å²	43.7	32%	0.321	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.6	172.9	-179.2	0	0	0	0	110.7	T958 G994 M995 L1049	T958-V1002 PolarHBondContact OG1-O 3.46Å; G994-V1002 WeakPolarHBondContact O-CA 3.36Å; M995-V1002 HydrophobicContact CG-CG2 4.43Å; M995-V1002 HydrophobicContact SD-CB 4.27Å; M995-V1002 HydrophobicContact SD-CG2 3.38Å; M995-V1002 WeakPolarHBondContact SD-CG2 3.12Å; V1002-L1049 HydrophobicContact CG1-CD1 4.1Å; V1002-L1049 HydrophobicContact CG1-CD2 3.65Å
1003	D	90.9	Very high	89.6	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.011	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.3	164.2	-166.9	29.5	0	0	0	110.5	G956 G957 T958 H959 T962 Y967 S993 G994 L996	G956-D1003 WeakPolarHBondContact CA-OD2 3Å; G957-D1003 PolarHBondContact N-OD1 3.26Å; T958-D1003 PolarHBondContact N-OD1 3.48Å; T958-D1003 PolarHBondContact OG1-OD1 3.01Å; H959-D1003 HydrophobicContact CB-CB 3.69Å; H959-D1003 WeakPolarHBondContact CB-OD1 3.44Å; H959-D1003 PolarHBondContact N-OD1 3.08Å; T962-D1003 PolarHBondContact OG1-OD2 2.8Å; T962-D1003 VanDerWaalsContact OG1-OD2 3.04Å; Y967-D1003 PolarHBondContact OH-OD2 3.23Å; S993-D1003 WeakPolarHBondContact CA-O 3.41Å; S993-D1003 WeakPolarHBondContact CB-O 3.21Å; G994-D1003 PolarHBondContact N-O 3.02Å; G994-D1003 PolarHBondContact O-N 2.85Å; L996-D1003 HydrophobicContact CD1-CB 4.16Å; L996-D1003 HydrophobicContact CD2-CB 4.03Å; L996-D1003 HydrophobicContact CG-CB 4.07Å
1004	R	92.1	Very high	89.3	Confident	26 Å²	26	49.3 Å²	49.3	10%	0.098	26%	0.257	C	S	.	.			trans	-92	109.5	168.2	-65.1	-177.8	69.5	-175	-2.4	108.2	G957 T958 S993 L1006 H1031 L1032 L1046 L1049	G957-R1004 WeakPolarHBondContact CA-O 3.44Å; G957-R1004 PolarHBondContact N-O 3.49Å; T958-R1004 HydrophobicContact CG2-CB 3.9Å; T958-R1004 HydrophobicContact CG2-CG 4.32Å; T958-R1004 PolarHBondContact OG1-N 3.45Å; S993-R1004 WeakPolarHBondContact OG-CA 3.46Å; R1004-L1006 PolarHBondContact O-N 2.95Å; R1004-H1031 PolarHBondContact NH1-O 2.95Å; R1004-H1031 PolarHBondContact NH2-O 3.12Å; R1004-H1031 VanDerWaalsContact NH2-O 3.08Å; R1004-L1032 PolarHBondContact NH1-O 3.19Å; R1004-L1046 HydrophobicContact CB-CB 4.4Å; R1004-L1046 HydrophobicContact CB-CD1 4.43Å; R1004-L1046 HydrophobicContact CB-CD2 4.41Å; R1004-L1049 HydrophobicContact CG-CD1 4.45Å
1005	T	93.4	Very high	89.4	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.248	C	C	.	.			trans	-64.8	131.1	-178.4	-48.9	0	0	0	0	110.9	N954 M955 Y967 K991 C992 S993 V1007 L1046 A1047	N954-T1005 HydrophobicContact CB-CG2 4.19Å; M955-T1005 WeakPolarHBondContact O-CG2 3.11Å; Y967-T1005 HydrophobicContact CD2-CG2 4.17Å; Y967-T1005 HydrophobicContact CE2-CG2 4.37Å; K991-T1005 HydrophobicContact CB-CG2 3.8Å; K991-T1005 HydrophobicContact CG-CG2 3.88Å; K991-T1005 VanDerWaalsContact O-CB 3.24Å; K991-T1005 WeakPolarHBondContact O-CB 3.02Å; K991-T1005 WeakPolarHBondContact O-CG2 3.43Å; K991-T1005 PolarHBondContact O-OG1 3.22Å; K991-T1005 VanDerWaalsContact O-OG1 3.05Å; C992-T1005 PolarHBondContact O-OG1 2.84Å; S993-T1005 PolarHBondContact OG-N 3.36Å; S993-T1005 VanDerWaalsContact OG-N 3.13Å; T1005-V1007 HydrophobicContact CG2-CG2 3.98Å; T1005-L1046 CarbonylContact O-C 3.48Å; T1005-L1046 WeakPolarHBondContact O-CA 3.41Å; T1005-A1047 PolarHBondContact O-N 3.07Å
1006	L	94.8	Very high	89.7	Confident	39 Å²	39	51.4 Å²	51.4	20%	0.204	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	114.9	167	-175.4	70	0	0	0	110	M955 R1004 A1035 T1044 L1046	M955-L1006 HydrophobicContact CB-CB 4.37Å; M955-L1006 HydrophobicContact CE-CD2 4.19Å; M955-L1006 PolarHBondContact N-O 3.27Å; M955-L1006 PolarHBondContact O-N 2.84Å; R1004-L1006 PolarHBondContact O-N 2.95Å; L1006-A1035 HydrophobicContact CD1-CB 3.87Å; L1006-T1044 HydrophobicContact CD1-CG2 3.57Å; L1006-T1044 HydrophobicContact CG-CG2 4.21Å; L1006-L1046 HydrophobicContact CB-CD2 4.04Å; L1006-L1046 HydrophobicContact CD1-CD2 3.9Å
1007	V	95.3	Very high	89.9	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.9	-176.2	-176.6	0	0	0	0	109.6	F990 T1005 V1009 T1044 M1045 A1047	F990-V1007 HydrophobicContact CB-CG1 3.65Å; F990-V1007 HydrophobicContact CB-CG2 4.05Å; F990-V1007 HydrophobicContact CD2-CG1 4.49Å; F990-V1007 HydrophobicContact CD2-CG2 3.7Å; F990-V1007 HydrophobicContact CG-CG1 4.14Å; F990-V1007 HydrophobicContact CG-CG2 4.16Å; T1005-V1007 HydrophobicContact CG2-CG2 3.98Å; V1007-V1009 HydrophobicContact CG1-CG2 4.48Å; V1007-T1044 CarbonylContact O-C 3.56Å; V1007-T1044 VanDerWaalsContact O-CA 3.29Å; V1007-T1044 WeakPolarHBondContact O-CA 3.35Å; V1007-M1045 HydrophobicContact CB-CE 4.35Å; V1007-M1045 HydrophobicContact CB-CG 4.22Å; V1007-M1045 HydrophobicContact CG1-CE 4.38Å; V1007-M1045 PolarHBondContact N-O 2.93Å; V1007-M1045 PolarHBondContact O-N 2.91Å; V1007-A1047 HydrophobicContact CG2-CB 4.06Å
1008	K	94.7	Very high	90.2	Very high	54 Å²	54	55.6 Å²	55.6	24%	0.235	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128	169.2	-63.8	-170.6	165.6	-145.6	0	110.9	S952 R953 I1010 E1042 F1043 T1044	S952-K1008 CarbonylContact C-O 3.49Å; S952-K1008 VanDerWaalsContact CA-O 3.28Å; S952-K1008 WeakPolarHBondContact CA-O 3.26Å; R953-K1008 HydrophobicContact CB-CB 4.24Å; R953-K1008 PolarHBondContact N-O 2.93Å; R953-K1008 PolarHBondContact O-N 3Å; K1008-I1010 HydrophobicContact CB-CD1 4.31Å; K1008-I1010 HydrophobicContact CB-CG1 4.31Å; K1008-E1042 IonicContact NZ-OE1 3.03Å; K1008-E1042 PolarHBondContact NZ-OE1 2.84Å; K1008-E1042 IonicContact NZ-OE2 2.76Å; K1008-F1043 CarbonylContact C-O 3.55Å; K1008-F1043 WeakPolarHBondContact CA-O 3.31Å; K1008-T1044 HydrophobicContact CG-CG2 3.93Å
1009	V	95.6	Very high	90.6	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.6	176	179.1	0	0	0	0	108.9	I938 V940 V950 L988 V1007 E1042 F1043 L1097 F1099	I938-V1009 HydrophobicContact CG2-CG2 4.33Å; V940-V1009 HydrophobicContact CG2-CG1 4.09Å; V950-V1009 HydrophobicContact CG1-CG1 3.82Å; L988-V1009 HydrophobicContact CD2-CB 4.38Å; L988-V1009 HydrophobicContact CD2-CG1 3.8Å; L988-V1009 HydrophobicContact CD2-CG2 4.11Å; V1007-V1009 HydrophobicContact CG1-CG2 4.48Å; V1009-E1042 WeakPolarHBondContact O-CA 3.29Å; V1009-F1043 HydrophobicContact CB-CB 4.4Å; V1009-F1043 PolarHBondContact N-O 3.17Å; V1009-F1043 PolarHBondContact O-N 3.48Å; V1009-L1097 HydrophobicContact CB-CD1 4.26Å; V1009-L1097 HydrophobicContact CG1-CD1 4.21Å; V1009-L1097 HydrophobicContact CG2-CD1 4.16Å; V1009-F1099 HydrophobicContact CG1-CE2 4.36Å
1010	I	93.5	Very high	91	Very high	39 Å²	39	54.7 Å²	54.7	20%	0.2	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	103	-169.4	-49.9	170.6	0	0	0	110	R951 K1008 Q1012 E1042	R951-I1010 PolarHBondContact N-O 2.7Å; R951-I1010 PolarHBondContact O-N 2.76Å; K1008-I1010 HydrophobicContact CB-CD1 4.31Å; K1008-I1010 HydrophobicContact CB-CG1 4.31Å; I1010-Q1012 PolarHBondContact O-N 3.39Å; I1010-Q1012 PolarHBondContact O-NE2 3.04Å; I1010-E1042 HydrophobicContact CG1-CB 3.96Å
1011	P	92.6	Very high	91.4	Very high	7 Å²	7	49.7 Å²	49.7	5%	0.045	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	130.2	169.3	-17.5	31.1	0	0	0	110.9	I948 G1013 C1015 N1041 F1099	I948-P1011 HydrophobicContact CG2-CB 4.41Å; P1011-G1013 PolarHBondContact O-N 2.94Å; P1011-C1015 HydrophobicContact CB-CB 3.78Å; P1011-C1015 VanDerWaalsContact CB-SG 3.51Å; P1011-C1015 HydrophobicContact CG-CB 4Å; P1011-N1041 WeakPolarHBondContact CD-O 3.17Å; P1011-F1099 HydrophobicContact CG-CB 4.31Å; P1011-F1099 HydrophobicContact CG-CD1 3.62Å; P1011-F1099 HydrophobicContact CG-CD2 3.97Å; P1011-F1099 HydrophobicContact CG-CE1 3.79Å; P1011-F1099 HydrophobicContact CG-CE2 4.13Å; P1011-F1099 HydrophobicContact CG-CG 3.7Å; P1011-F1099 HydrophobicContact CG-CZ 4.05Å
1012	Q	87.3	Confident	91.6	Very high	89 Å²	89	47.3 Å²	47.3	42%	0.416	25%	0.252	S	S	.	.	S	Bend	trans	-79.7	40.6	-178.9	-59.4	-59.6	-59.3	0	0	112.6	N949 R951 I1010	N949-Q1012 HydrophobicContact CB-CB 4.24Å; N949-Q1012 HydrophobicContact CB-CG 4.2Å; N949-Q1012 VanDerWaalsContact O-CB 3.23Å; N949-Q1012 WeakPolarHBondContact O-CB 2.99Å; N949-Q1012 WeakPolarHBondContact O-CG 3.13Å; N949-Q1012 PolarHBondContact O-N 2.01Å; R951-Q1012 HydrophobicContact CB-CG 4.4Å; I1010-Q1012 PolarHBondContact O-N 3.39Å; I1010-Q1012 PolarHBondContact O-NE2 3.04Å
1013	G	82.8	Confident	91.7	Very high	37 Å²	37	50 Å²	50	38%	0.381	26%	0.262	S	S	.	.	S	Bend	trans	-146.7	176	-179.7	0	0	0	0	0	111.5	P1011 C1015	P1011-G1013 PolarHBondContact O-N 2.94Å; G1013-C1015 PolarHBondContact O-N 3.43Å
1014	S	86.9	Confident	91.7	Very high	88 Å²	88	49.9 Å²	49.9	62%	0.615	26%	0.262	S	S	*	.	S	Bend	trans	-78	76.3	175	-176.7	0	0	0	0	110.1	G1102	S1014-G1102 PolarHBondContact O-N 3Å
1015	C	90.6	Very high	91.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.3	-172.4	-58.5	0	0	0	0	111.7	P1011 G1013 N1041 F1099 S1100 C1101	P1011-C1015 HydrophobicContact CB-CB 3.78Å; P1011-C1015 VanDerWaalsContact CB-SG 3.51Å; P1011-C1015 HydrophobicContact CG-CB 4Å; G1013-C1015 PolarHBondContact O-N 3.43Å; C1015-N1041 WeakPolarHBondContact O-CA 3.28Å; C1015-N1041 PolarHBondContact O-OD1 3.49Å; C1015-F1099 HydrophobicContact CB-CB 4.39Å; C1015-F1099 HydrophobicContact CB-CD1 4.26Å; C1015-S1100 WeakPolarHBondContact CA-O 3.03Å; C1015-C1101 HydrophobicContact CB-CB 4.03Å; C1015-C1101 WeakPolarHBondContact CB-SG 3.16Å; C1015-C1101 WeakPolarHBondContact SG-CB 3.35Å; C1015-C1101 CovalentContact SG-SG 2.02Å; C1015-C1101 PolarHBondContact SG-SG 3.11Å
1016	K	92.6	Very high	91.4	Very high	139 Å²	139	57 Å²	57	60%	0.604	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.5	169.8	-67.8	-176.2	178.1	-177.9	0	110	D1018 T1040 F1099 S1100	K1016-D1018 PolarHBondContact O-N 3.12Å; K1016-T1040 CarbonylContact C-O 3.51Å; K1016-F1099 WeakPolarHBondContact O-CA 3.45Å; K1016-S1100 PolarHBondContact N-O 2.99Å; K1016-S1100 PolarHBondContact O-N 3.31Å
1017	R	93.6	Very high	91.1	Very high	64 Å²	64	56.8 Å²	56.8	24%	0.242	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.6	175	-171.6	173	71.3	-138.9	4.6	109.2	V1020 D1039 T1040 E1042 F1099	R1017-V1020 HydrophobicContact CG-CG2 4.33Å; R1017-D1039 PolarHBondContact NH1-O 2.9Å; R1017-T1040 WeakPolarHBondContact CB-O 3.43Å; R1017-T1040 PolarHBondContact N-O 3.03Å; R1017-E1042 PolarHBondContact NH1-O 3.06Å; R1017-F1099 HydrophobicContact CB-CD1 4.05Å; R1017-F1099 HydrophobicContact CB-CE1 3.73Å; R1017-F1099 HydrophobicContact CB-CZ 4.25Å; R1017-F1099 HydrophobicContact CG-CE1 4.31Å; R1017-F1099 HydrophobicContact CG-CZ 4.36Å
1018	D	89.3	Confident	90.7	Very high	106 Å²	106	57.7 Å²	57.7	57%	0.567	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	-47.1	-177	-171.7	35.5	0	0	0	110.8	K1016 S1098	K1016-D1018 PolarHBondContact O-N 3.12Å; D1018-S1098 PolarHBondContact N-O 3.18Å
1019	H	91.9	Very high	90.4	Very high	104 Å²	104	58.6 Å²	58.6	48%	0.481	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	146.5	-174.4	-176.2	-77.6	0	0	0	112.3	S1098	H1019-S1098 PolarHBondContact N-O 3.1Å; H1019-S1098 PolarHBondContact O-N 3.19Å
1020	V	92.8	Very high	90	Very high	27 Å²	27	64.5 Å²	64.5	16%	0.164	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.2	168.4	-178.7	0	0	0	0	108.1	R1017 T1022 L1024 F1043 L1097	R1017-V1020 HydrophobicContact CG-CG2 4.33Å; V1020-T1022 PolarHBondContact O-N 3.36Å; V1020-L1024 HydrophobicContact CG1-CD2 4.38Å; V1020-F1043 HydrophobicContact CG1-CE2 4.07Å; V1020-F1043 HydrophobicContact CG1-CZ 4.22Å; V1020-F1043 HydrophobicContact CG2-CD2 4.16Å; V1020-F1043 HydrophobicContact CG2-CE2 3.91Å; V1020-L1097 HydrophobicContact CB-CD2 4.3Å; V1020-L1097 HydrophobicContact CG1-CD2 3.99Å; V1020-L1097 HydrophobicContact CG2-CD2 3.89Å
1021	N	93.2	Very high	89.5	Confident	26 Å²	26	66.4 Å²	66.4	14%	0.139	35%	0.35	C	S	.	.			trans	-53.7	129.8	177.9	-172.6	-46.6	0	0	0	110.9	M1023 L1024 Q1025 V1095 A1096	N1021-M1023 VanDerWaalsContact C-N 3.32Å; N1021-M1023 PolarHBondContact O-N 2.88Å; N1021-M1023 WeakPolarHBondContact OD1-CB 3.35Å; N1021-M1023 PolarHBondContact OD1-N 2.68Å; N1021-L1024 HydrophobicContact CB-CB 4.14Å; N1021-L1024 WeakPolarHBondContact O-CB 3.43Å; N1021-L1024 PolarHBondContact O-N 3.35Å; N1021-L1024 VanDerWaalsContact O-N 3.13Å; N1021-Q1025 PolarHBondContact O-N 3.01Å; N1021-V1095 PolarHBondContact ND2-O 2.85Å; N1021-V1095 VanDerWaalsContact ND2-O 3.13Å; N1021-A1096 WeakPolarHBondContact CB-O 3.23Å; N1021-A1096 PolarHBondContact N-O 2.66Å
1022	T	91.7	Very high	88.9	Confident	92 Å²	92	72.1 Å²	72.1	56%	0.564	38%	0.38	S	S	*	.	H	α-helix	trans	-61.5	-39.8	-175.6	50.8	0	0	0	0	112.1	V1020 L1024 Q1025 D1026	V1020-T1022 PolarHBondContact O-N 3.36Å; T1022-L1024 VanDerWaalsContact C-N 3.32Å; T1022-L1024 PolarHBondContact O-N 2.8Å; T1022-Q1025 WeakPolarHBondContact O-CB 3.33Å; T1022-Q1025 PolarHBondContact O-N 2.82Å; T1022-D1026 VanDerWaalsContact O-CG 3.3Å; T1022-D1026 PolarHBondContact O-N 3.13Å
1023	M	90.7	Very high	88.7	Confident	108 Å²	108	71.5 Å²	71.5	53%	0.532	38%	0.383	S	S	.	.	H	α-helix	trans	-65.1	-35.8	176.8	-66.4	-175.9	-177.2	0	0	112.1	N1021 Y1027 N1055	N1021-M1023 VanDerWaalsContact C-N 3.32Å; N1021-M1023 PolarHBondContact O-N 2.88Å; N1021-M1023 WeakPolarHBondContact OD1-CB 3.35Å; N1021-M1023 PolarHBondContact OD1-N 2.68Å; M1023-Y1027 WeakPolarHBondContact O-CB 3.05Å; M1023-Y1027 PolarHBondContact O-N 3.5Å; M1023-N1055 HydrophobicContact SD-CB 4.14Å
1024	L	90.3	Very high	88.5	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-66.8	-44.5	174.4	-179.9	57.7	0	0	0	110.4	V1020 N1021 T1022 Y1027 L1028 F1043 Y1056 I1058 A1096	V1020-L1024 HydrophobicContact CG1-CD2 4.38Å; N1021-L1024 HydrophobicContact CB-CB 4.14Å; N1021-L1024 WeakPolarHBondContact O-CB 3.43Å; N1021-L1024 PolarHBondContact O-N 3.35Å; N1021-L1024 VanDerWaalsContact O-N 3.13Å; T1022-L1024 VanDerWaalsContact C-N 3.32Å; T1022-L1024 PolarHBondContact O-N 2.8Å; L1024-Y1027 PolarHBondContact O-N 3.13Å; L1024-L1028 HydrophobicContact CD1-CD1 4.12Å; L1024-L1028 HydrophobicContact CD1-CG 4.14Å; L1024-L1028 HydrophobicContact CG-CD1 4.04Å; L1024-L1028 HydrophobicContact CG-CG 4.46Å; L1024-L1028 VanDerWaalsContact O-CG 3.26Å; L1024-L1028 WeakPolarHBondContact O-CG 3.3Å; L1024-L1028 PolarHBondContact O-N 2.95Å; L1024-F1043 HydrophobicContact CD2-CE1 4.46Å; L1024-F1043 HydrophobicContact CD2-CZ 4.39Å; L1024-Y1056 HydrophobicContact CB-CD2 4.45Å; L1024-Y1056 HydrophobicContact CD1-CD2 3.83Å; L1024-Y1056 HydrophobicContact CD1-CE2 4.25Å; L1024-I1058 HydrophobicContact CD1-CD1 3.81Å; L1024-A1096 HydrophobicContact CD2-CB 4.15Å
1025	Q	89.9	Confident	88.3	Confident	82 Å²	82	71.4 Å²	71.4	38%	0.383	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-47.1	179	-170.3	68.2	17.7	0	0	111.3	N1021 T1022 L1028 V1029	N1021-Q1025 PolarHBondContact O-N 3.01Å; T1022-Q1025 WeakPolarHBondContact O-CB 3.33Å; T1022-Q1025 PolarHBondContact O-N 2.82Å; Q1025-L1028 PolarHBondContact O-N 3.24Å; Q1025-V1029 WeakPolarHBondContact O-CG2 3.35Å; Q1025-V1029 PolarHBondContact O-N 2.04Å
1026	D	89.1	Confident	87.7	Confident	96 Å²	96	76.2 Å²	76.2	51%	0.513	40%	0.399	S	S	.	.	H	α-helix	trans	-62.8	-42.6	178	-70.1	-19.6	0	0	0	111.6	T1022 L1028 V1029 N1030	T1022-D1026 VanDerWaalsContact O-CG 3.3Å; T1022-D1026 PolarHBondContact O-N 3.13Å; D1026-L1028 PolarHBondContact O-N 3.48Å; D1026-V1029 PolarHBondContact O-N 2.69Å; D1026-N1030 WeakPolarHBondContact O-CB 3.44Å; D1026-N1030 PolarHBondContact O-N 2.96Å; D1026-N1030 VanDerWaalsContact O-N 3.13Å; D1026-N1030 PolarHBondContact O-ND2 2.91Å
1027	Y	88.6	Confident	87.1	Confident	34 Å²	34	71.7 Å²	71.7	13%	0.133	38%	0.382	C	S	.	.	H	α-helix	trans	-58.8	-48.9	174.7	180	-84.3	0	0	0	111	M1023 L1024 V1029 N1030 H1031 P1048 L1049 D1050	M1023-Y1027 WeakPolarHBondContact O-CB 3.05Å; M1023-Y1027 PolarHBondContact O-N 3.5Å; L1024-Y1027 PolarHBondContact O-N 3.13Å; Y1027-V1029 PolarHBondContact O-N 3.36Å; Y1027-N1030 PolarHBondContact O-N 3.22Å; Y1027-H1031 AromaticContact CD2-CE1 3.62Å; Y1027-H1031 AromaticContact CD2-ND1 3.79Å; Y1027-H1031 HydrophobicContact CE1-CB 4.46Å; Y1027-H1031 AromaticContact CE2-CE1 3.46Å; Y1027-H1031 VanDerWaalsContact CE2-CE1 3.46Å; Y1027-H1031 WeakPolarHBondContact CE2-CE1 3.33Å; Y1027-H1031 AromaticContact CE2-ND1 3.78Å; Y1027-H1031 AromaticContact CE2-NE2 3.89Å; Y1027-H1031 AromaticContact CG-ND1 3.93Å; Y1027-H1031 AromaticContact CZ-CE1 3.92Å; Y1027-H1031 AromaticContact CZ-ND1 3.87Å; Y1027-H1031 PolarHBondContact O-N 2.88Å; Y1027-H1031 PolarHBondContact O-ND1 2.82Å; Y1027-P1048 HydrophobicContact CD1-CB 4.39Å; Y1027-P1048 HydrophobicContact CD1-CG 4.23Å; Y1027-P1048 HydrophobicContact CE1-CB 3.59Å; Y1027-P1048 HydrophobicContact CE1-CG 3.84Å; Y1027-L1049 PolarHBondContact OH-N 3.49Å; Y1027-D1050 HydrophobicContact CE2-CB 4.13Å
1028	L	88.1	Confident	86.4	Confident	18 Å²	18	75.8 Å²	75.8	9%	0.094	41%	0.408	C	S	.	.	H	α-helix	trans	-63.9	-41.3	-177.5	-69	173.8	0	0	0	112.1	L1024 Q1025 D1026 N1030 H1031 L1034 F1043 M1045	L1024-L1028 HydrophobicContact CD1-CD1 4.12Å; L1024-L1028 HydrophobicContact CD1-CG 4.14Å; L1024-L1028 HydrophobicContact CG-CD1 4.04Å; L1024-L1028 HydrophobicContact CG-CG 4.46Å; L1024-L1028 VanDerWaalsContact O-CG 3.26Å; L1024-L1028 WeakPolarHBondContact O-CG 3.3Å; L1024-L1028 PolarHBondContact O-N 2.95Å; Q1025-L1028 PolarHBondContact O-N 3.24Å; D1026-L1028 PolarHBondContact O-N 3.48Å; L1028-N1030 VanDerWaalsContact C-N 3.34Å; L1028-N1030 PolarHBondContact O-N 3.35Å; L1028-H1031 PolarHBondContact O-N 2.84Å; L1028-L1034 WeakPolarHBondContact O-CD2 3.43Å; L1028-F1043 HydrophobicContact CD1-CZ 3.94Å; L1028-M1045 HydrophobicContact CD1-CB 4Å; L1028-M1045 HydrophobicContact CD2-CB 4.08Å
1029	V	87.1	Confident	86.1	Confident	74 Å²	74	73.9 Å²	73.9	45%	0.448	40%	0.398	S	S	.	.	H	α-helix	trans	-63.8	-39.5	178.7	172.3	0	0	0	0	111.9	Q1025 D1026 Y1027 H1031	Q1025-V1029 WeakPolarHBondContact O-CG2 3.35Å; Q1025-V1029 PolarHBondContact O-N 2.04Å; D1026-V1029 PolarHBondContact O-N 2.69Å; Y1027-V1029 PolarHBondContact O-N 3.36Å; V1029-H1031 VanDerWaalsContact C-N 3.31Å; V1029-H1031 PolarHBondContact O-N 3.37Å
1030	N	86.8	Confident	85.8	Confident	124 Å²	124	72.3 Å²	72.3	66%	0.663	40%	0.396	S	S	*	.	H	α-helix	trans	-76.8	-14.8	-178.5	-70.2	-37.3	0	0	0	113.8	D1026 Y1027 L1028	D1026-N1030 WeakPolarHBondContact O-CB 3.44Å; D1026-N1030 PolarHBondContact O-N 2.96Å; D1026-N1030 VanDerWaalsContact O-N 3.13Å; D1026-N1030 PolarHBondContact O-ND2 2.91Å; Y1027-N1030 PolarHBondContact O-N 3.22Å; L1028-N1030 VanDerWaalsContact C-N 3.34Å; L1028-N1030 PolarHBondContact O-N 3.35Å
1031	H	83.6	Confident	85.7	Confident	79 Å²	79	74.8 Å²	74.8	37%	0.366	41%	0.408	S	S	.	.	S	Bend	trans	-116.9	78.8	-175.3	-64.8	84.2	0	0	0	112.4	R1004 Y1027 L1028 V1029	R1004-H1031 PolarHBondContact NH1-O 2.95Å; R1004-H1031 PolarHBondContact NH2-O 3.12Å; R1004-H1031 VanDerWaalsContact NH2-O 3.08Å; Y1027-H1031 AromaticContact CD2-CE1 3.62Å; Y1027-H1031 AromaticContact CD2-ND1 3.79Å; Y1027-H1031 HydrophobicContact CE1-CB 4.46Å; Y1027-H1031 AromaticContact CE2-CE1 3.46Å; Y1027-H1031 VanDerWaalsContact CE2-CE1 3.46Å; Y1027-H1031 WeakPolarHBondContact CE2-CE1 3.33Å; Y1027-H1031 AromaticContact CE2-ND1 3.78Å; Y1027-H1031 AromaticContact CE2-NE2 3.89Å; Y1027-H1031 AromaticContact CG-ND1 3.93Å; Y1027-H1031 AromaticContact CZ-CE1 3.92Å; Y1027-H1031 AromaticContact CZ-ND1 3.87Å; Y1027-H1031 PolarHBondContact O-N 2.88Å; Y1027-H1031 PolarHBondContact O-ND1 2.82Å; L1028-H1031 PolarHBondContact O-N 2.84Å; V1029-H1031 VanDerWaalsContact C-N 3.31Å; V1029-H1031 PolarHBondContact O-N 3.37Å
1032	L	80.8	Confident	85.6	Confident	126 Å²	126	75.2 Å²	75.2	66%	0.66	41%	0.409	S	S	*	.	S	Bend	trans	-61.5	151.3	177.3	-62.2	-179.1	0	0	0	113.4	R1004 L1034	R1004-L1032 PolarHBondContact NH1-O 3.19Å; L1032-L1034 HydrophobicContact CD2-CD1 4.16Å; L1032-L1034 HydrophobicContact CD2-CD2 4.03Å; L1032-L1034 HydrophobicContact CD2-CG 3.65Å
1033	P	83.2	Confident	85.7	Confident	76 Å²	76	70.9 Å²	70.9	49%	0.494	38%	0.383	S	S	.	.	S	Bend	cis	-76	157.6	0.1	28.4	-30.5	0	0	0	113.6	T958 L1046	T958-P1033 HydrophobicContact CG2-CG 4.43Å; P1033-L1046 HydrophobicContact CG-CD1 3.81Å; P1033-L1046 VanDerWaalsContact O-CD1 3.26Å; P1033-L1046 WeakPolarHBondContact O-CD1 3.16Å
1034	L	79.1	Confident	85.9	Confident	99 Å²	99	66.1 Å²	66.1	52%	0.518	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-88.8	141.8	177	-58.3	175.7	0	0	0	110.9	L1028 L1032	L1028-L1034 WeakPolarHBondContact O-CD2 3.43Å; L1032-L1034 HydrophobicContact CD2-CD1 4.16Å; L1032-L1034 HydrophobicContact CD2-CD2 4.03Å; L1032-L1034 HydrophobicContact CD2-CG 3.65Å
1035	A	81.6	Confident	86	Confident	24 Å²	24	66.1 Å²	66.1	20%	0.198	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-82.6	141.6	166.6	0	0	0	0	0	110.5	L1006 N1037 T1044	L1006-A1035 HydrophobicContact CD1-CB 3.87Å; A1035-N1037 PolarHBondContact O-N 3.4Å; A1035-T1044 HydrophobicContact CB-CG2 3.83Å
1036	V	77.5	Confident	86.2	Confident	103 Å²	103	62.8 Å²	62.8	62%	0.624	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-73	125.9	179.4	-178.8	0	0	0	0	110	N1038	V1036-N1038 HydrophobicContact CG1-CB 4.22Å; V1036-N1038 VanDerWaalsContact CG1-CG 3.48Å; V1036-N1038 WeakPolarHBondContact CG1-ND2 3.23Å
1037	N	80.4	Confident	86.3	Confident	44 Å²	44	58.2 Å²	58.2	24%	0.235	32%	0.32	C	S	.	.			trans	-119.9	44.4	-174.3	-97.1	-39.1	0	0	0	113	A1035 T1044	A1035-N1037 PolarHBondContact O-N 3.4Å; N1037-T1044 VanDerWaalsContact CG-O 3.22Å; N1037-T1044 PolarHBondContact ND2-O 3.43Å; N1037-T1044 WeakPolarHBondContact OD1-CA 3.5Å; N1037-T1044 PolarHBondContact OD1-N 2.02Å; N1037-T1044 PolarHBondContact OD1-O 2.72Å
1038	N	78.6	Confident	86.3	Confident	149 Å²	149	56.9 Å²	56.9	80%	0.797	32%	0.316	S	S	*	.			trans	-79.5	-20.7	-172.6	-67.1	-4.9	0	0	0	114.1	V1036	V1036-N1038 HydrophobicContact CG1-CB 4.22Å; V1036-N1038 VanDerWaalsContact CG1-CG 3.48Å; V1036-N1038 WeakPolarHBondContact CG1-ND2 3.23Å
1039	D	83.4	Confident	86.2	Confident	67 Å²	67	59.4 Å²	59.4	36%	0.358	33%	0.329	S	S	.	.			trans	-90.5	133.9	179.3	-164.8	-17.8	0	0	0	110.5	R1017 N1041 E1042	R1017-D1039 PolarHBondContact NH1-O 2.9Å; D1039-N1041 WeakPolarHBondContact OD1-CB 3.44Å; D1039-N1041 PolarHBondContact OD1-N 3.43Å; D1039-N1041 PolarHBondContact OD1-ND2 3.39Å; D1039-E1042 HydrophobicContact CB-CG 3.77Å
1040	T	86.2	Confident	85.9	Confident	70 Å²	70	58.4 Å²	58.4	43%	0.429	32%	0.321	S	S	.	.	S	Bend	trans	-84	-16.6	174.7	55.2	0	0	0	0	112.9	K1016 R1017	K1016-T1040 CarbonylContact C-O 3.51Å; R1017-T1040 WeakPolarHBondContact CB-O 3.43Å; R1017-T1040 PolarHBondContact N-O 3.03Å
1041	N	89.3	Confident	85.1	Confident	79 Å²	79	56.7 Å²	56.7	42%	0.422	32%	0.319	S	S	.	.	S	Bend	trans	-85.4	-16.8	-178.4	-54.3	-32.8	0	0	0	112.2	P1011 C1015 D1039	P1011-N1041 WeakPolarHBondContact CD-O 3.17Å; C1015-N1041 WeakPolarHBondContact O-CA 3.28Å; C1015-N1041 PolarHBondContact O-OD1 3.49Å; D1039-N1041 WeakPolarHBondContact OD1-CB 3.44Å; D1039-N1041 PolarHBondContact OD1-N 3.43Å; D1039-N1041 PolarHBondContact OD1-ND2 3.39Å
1042	E	92.1	Very high	84.5	Confident	35 Å²	35	57.6 Å²	57.6	16%	0.164	33%	0.326	C	S	.	.			trans	-130.1	169	175.3	61.2	174.4	-150.2	0	0	111.8	K1008 V1009 I1010 R1017 D1039	K1008-E1042 IonicContact NZ-OE1 3.03Å; K1008-E1042 PolarHBondContact NZ-OE1 2.84Å; K1008-E1042 IonicContact NZ-OE2 2.76Å; V1009-E1042 WeakPolarHBondContact O-CA 3.29Å; I1010-E1042 HydrophobicContact CG1-CB 3.96Å; R1017-E1042 PolarHBondContact NH1-O 3.06Å; D1039-E1042 HydrophobicContact CB-CG 3.77Å
1043	F	94.5	Very high	84.5	Confident	1 Å²	1	51.7 Å²	51.7	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.6	169.8	178.3	-99.2	0	0	0	109.8	K1008 V1009 V1020 L1024 L1028 M1045 L1097 F1099	K1008-F1043 CarbonylContact C-O 3.55Å; K1008-F1043 WeakPolarHBondContact CA-O 3.31Å; V1009-F1043 HydrophobicContact CB-CB 4.4Å; V1009-F1043 PolarHBondContact N-O 3.17Å; V1009-F1043 PolarHBondContact O-N 3.48Å; V1020-F1043 HydrophobicContact CG1-CE2 4.07Å; V1020-F1043 HydrophobicContact CG1-CZ 4.22Å; V1020-F1043 HydrophobicContact CG2-CD2 4.16Å; V1020-F1043 HydrophobicContact CG2-CE2 3.91Å; L1024-F1043 HydrophobicContact CD2-CE1 4.46Å; L1024-F1043 HydrophobicContact CD2-CZ 4.39Å; L1028-F1043 HydrophobicContact CD1-CZ 3.94Å; F1043-M1045 HydrophobicContact CE1-CB 3.84Å; F1043-M1045 HydrophobicContact CE1-CG 4Å; F1043-M1045 HydrophobicContact CE1-SD 3.9Å; F1043-M1045 HydrophobicContact CZ-CB 4.32Å; F1043-L1097 HydrophobicContact CB-CD1 4.04Å; F1043-L1097 HydrophobicContact CB-CD2 4.47Å; F1043-L1097 HydrophobicContact CD1-CD1 3.5Å; F1043-L1097 HydrophobicContact CD1-CD2 3.74Å; F1043-L1097 HydrophobicContact CD1-CG 4.26Å; F1043-L1097 HydrophobicContact CD2-CD2 3.91Å; F1043-L1097 HydrophobicContact CE1-CD1 4.13Å; F1043-L1097 HydrophobicContact CE1-CD2 3.82Å; F1043-L1097 HydrophobicContact CE2-CD2 4Å; F1043-L1097 HydrophobicContact CG-CD1 3.89Å; F1043-L1097 HydrophobicContact CG-CD2 3.77Å; F1043-L1097 HydrophobicContact CZ-CD2 3.94Å; F1043-F1099 HydrophobicContact CB-CZ 4.26Å
1044	T	93.8	Very high	84.4	Confident	8 Å²	8	50 Å²	50	5%	0.049	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.4	-178.9	-52.7	0	0	0	0	110.4	L1006 V1007 K1008 A1035 N1037	L1006-T1044 HydrophobicContact CD1-CG2 3.57Å; L1006-T1044 HydrophobicContact CG-CG2 4.21Å; V1007-T1044 CarbonylContact O-C 3.56Å; V1007-T1044 VanDerWaalsContact O-CA 3.29Å; V1007-T1044 WeakPolarHBondContact O-CA 3.35Å; K1008-T1044 HydrophobicContact CG-CG2 3.93Å; A1035-T1044 HydrophobicContact CB-CG2 3.83Å; N1037-T1044 VanDerWaalsContact CG-O 3.22Å; N1037-T1044 PolarHBondContact ND2-O 3.43Å; N1037-T1044 WeakPolarHBondContact OD1-CA 3.5Å; N1037-T1044 PolarHBondContact OD1-N 2.02Å; N1037-T1044 PolarHBondContact OD1-O 2.72Å
1045	M	93.5	Very high	84.7	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.1	174.4	65.1	175.3	-175	0	0	111.8	I938 F990 V1007 L1028 F1043 I1058	I938-M1045 HydrophobicContact CD1-CE 3.91Å; I938-M1045 HydrophobicContact CD1-SD 4.36Å; F990-M1045 HydrophobicContact CD1-CE 4.48Å; F990-M1045 HydrophobicContact CE1-CE 4.16Å; F990-M1045 HydrophobicContact CE2-CE 4.28Å; F990-M1045 HydrophobicContact CZ-CE 4.04Å; V1007-M1045 HydrophobicContact CB-CE 4.35Å; V1007-M1045 HydrophobicContact CB-CG 4.22Å; V1007-M1045 HydrophobicContact CG1-CE 4.38Å; V1007-M1045 PolarHBondContact N-O 2.93Å; V1007-M1045 PolarHBondContact O-N 2.91Å; L1028-M1045 HydrophobicContact CD1-CB 4Å; L1028-M1045 HydrophobicContact CD2-CB 4.08Å; F1043-M1045 HydrophobicContact CE1-CB 3.84Å; F1043-M1045 HydrophobicContact CE1-CG 4Å; F1043-M1045 HydrophobicContact CE1-SD 3.9Å; F1043-M1045 HydrophobicContact CZ-CB 4.32Å; M1045-I1058 HydrophobicContact CE-CD1 3.95Å; M1045-I1058 HydrophobicContact SD-CD1 4.14Å
1046	L	92.4	Very high	85.1	Confident	11 Å²	11	49.2 Å²	49.2	6%	0.058	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.2	158.2	-70	-179.1	0	0	0	108.4	R1004 T1005 L1006 P1033	R1004-L1046 HydrophobicContact CB-CB 4.4Å; R1004-L1046 HydrophobicContact CB-CD1 4.43Å; R1004-L1046 HydrophobicContact CB-CD2 4.41Å; T1005-L1046 CarbonylContact O-C 3.48Å; T1005-L1046 WeakPolarHBondContact O-CA 3.41Å; L1006-L1046 HydrophobicContact CB-CD2 4.04Å; L1006-L1046 HydrophobicContact CD1-CD2 3.9Å; P1033-L1046 HydrophobicContact CG-CD1 3.81Å; P1033-L1046 VanDerWaalsContact O-CD1 3.26Å; P1033-L1046 WeakPolarHBondContact O-CD1 3.16Å
1047	A	91.5	Very high	85.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-55.3	134.7	-176.7	0	0	0	0	0	111.6	F990 S993 T1005 V1007	F990-A1047 HydrophobicContact CD2-CB 4.07Å; F990-A1047 HydrophobicContact CE2-CB 3.61Å; S993-A1047 WeakPolarHBondContact OG-CB 3.4Å; S993-A1047 PolarHBondContact OG-O 3.3Å; T1005-A1047 PolarHBondContact O-N 3.07Å; V1007-A1047 HydrophobicContact CG2-CB 4.06Å
1048	P	89.3	Confident	86.3	Confident	7 Å²	7	42.3 Å²	42.3	5%	0.045	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-58.9	155.3	175.5	-26.2	36	0	0	0	113.5	Y1027 Y1056 I1058	Y1027-P1048 HydrophobicContact CD1-CB 4.39Å; Y1027-P1048 HydrophobicContact CD1-CG 4.23Å; Y1027-P1048 HydrophobicContact CE1-CB 3.59Å; Y1027-P1048 HydrophobicContact CE1-CG 3.84Å; P1048-Y1056 HydrophobicContact CG-CE2 4.04Å; P1048-I1058 HydrophobicContact CG-CD1 3.74Å
1049	L	85.3	Confident	87	Confident	71 Å²	71	35.3 Å²	35.3	37%	0.372	20%	0.195	S	C	.	.			trans	-99.8	-26.3	174	-74.8	166.6	0	0	0	112.2	R934 V1002 R1004 Y1027	R934-L1049 PolarHBondContact NH1-O 2.92Å; R934-L1049 PolarHBondContact NH2-O 3.26Å; V1002-L1049 HydrophobicContact CG1-CD1 4.1Å; V1002-L1049 HydrophobicContact CG1-CD2 3.65Å; R1004-L1049 HydrophobicContact CG-CD1 4.45Å; Y1027-L1049 PolarHBondContact OH-N 3.49Å
1050	D	80.1	Confident	87.4	Confident	52 Å²	52	32.9 Å²	32.9	28%	0.278	18%	0.182	S	C	.	.			trans	-62.8	153.4	179	156.4	-77.1	0	0	0	113.2	R934 Y1027 L1052 G1053 Y1056	R934-D1050 PolarHBondContact NH2-O 2.81Å; Y1027-D1050 HydrophobicContact CE2-CB 4.13Å; D1050-L1052 VanDerWaalsContact CG-N 3.3Å; D1050-L1052 VanDerWaalsContact OD1-C 3.27Å; D1050-L1052 VanDerWaalsContact OD1-CA 3.27Å; D1050-L1052 WeakPolarHBondContact OD1-CA 3.09Å; D1050-L1052 PolarHBondContact OD1-N 3.02Å; D1050-L1052 WeakPolarHBondContact OD2-CB 3.44Å; D1050-L1052 PolarHBondContact OD2-N 3.16Å; D1050-G1053 PolarHBondContact OD1-N 2.57Å; D1050-Y1056 PolarHBondContact OD1-OH 2.97Å
1051	S	70.6	Confident	87.5	Confident	88 Å²	88	31.5 Å²	31.5	62%	0.615	17%	0.171	S	C	*	.	S	Bend	trans	-99.5	-6.1	179.4	56.3	0	0	0	0	114.1	G1053	S1051-G1053 PolarHBondContact O-N 2.62Å
1052	L	71.8	Confident	87.3	Confident	99 Å²	99	30.5 Å²	30.5	52%	0.518	17%	0.168	S	C	.	.			trans	-90.1	28.6	177.9	-61.4	172.9	0	0	0	112.6	D1050 H1054	D1050-L1052 VanDerWaalsContact CG-N 3.3Å; D1050-L1052 VanDerWaalsContact OD1-C 3.27Å; D1050-L1052 VanDerWaalsContact OD1-CA 3.27Å; D1050-L1052 WeakPolarHBondContact OD1-CA 3.09Å; D1050-L1052 PolarHBondContact OD1-N 3.02Å; D1050-L1052 WeakPolarHBondContact OD2-CB 3.44Å; D1050-L1052 PolarHBondContact OD2-N 3.16Å; L1052-H1054 PolarHBondContact O-N 2.92Å; L1052-H1054 VanDerWaalsContact O-N 3.1Å
1053	G	79.3	Confident	86.9	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.01	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-63.5	-20	-174.1	0	0	0	0	0	116.7	D1050 S1051 N1055 Y1056 G1057 I1058	D1050-G1053 PolarHBondContact OD1-N 2.57Å; S1051-G1053 PolarHBondContact O-N 2.62Å; G1053-N1055 PolarHBondContact O-N 2.77Å; G1053-Y1056 WeakPolarHBondContact CA-OH 3.39Å; G1053-Y1056 CarbonylContact O-C 3.54Å; G1053-Y1056 WeakPolarHBondContact O-CD2 3.37Å; G1053-Y1056 PolarHBondContact O-N 2.87Å; G1053-G1057 PolarHBondContact O-N 2.88Å; G1053-G1057 VanDerWaalsContact O-N 3.16Å; G1053-I1058 CarbonylContact C-O 3.57Å; G1053-I1058 WeakPolarHBondContact CA-O 3.39Å; G1053-I1058 PolarHBondContact O-N 2.75Å
1054	H	82.8	Confident	85.9	Confident	40 Å²	40	33.6 Å²	33.6	19%	0.185	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-59.3	-33.1	-173.1	58.9	-83.3	0	0	0	112.1	L1052 Y1056 G1057 I1058 Y1059	L1052-H1054 PolarHBondContact O-N 2.92Å; L1052-H1054 VanDerWaalsContact O-N 3.1Å; H1054-Y1056 PolarHBondContact O-N 3.36Å; H1054-G1057 PolarHBondContact O-N 3.32Å; H1054-I1058 WeakPolarHBondContact CA-O 3.41Å; H1054-I1058 PolarHBondContact N-O 2.84Å; H1054-Y1059 HydrophobicContact CB-CD1 3.98Å; H1054-Y1059 HydrophobicContact CB-CE1 3.8Å
1055	N	84.4	Confident	85	Confident	92 Å²	92	33.7 Å²	33.7	49%	0.492	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-62.8	-27.5	178.1	-69.7	-32.7	0	0	0	113.2	M1023 G1053	M1023-N1055 HydrophobicContact SD-CB 4.14Å; G1053-N1055 PolarHBondContact O-N 2.77Å
1056	Y	89.3	Confident	84.3	Confident	15 Å²	15	33.7 Å²	33.7	6%	0.059	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-115	18.2	-179.7	52.8	-102.6	0	0	0	113.1	L1024 P1048 D1050 G1053 H1054 I1058 A1096	L1024-Y1056 HydrophobicContact CB-CD2 4.45Å; L1024-Y1056 HydrophobicContact CD1-CD2 3.83Å; L1024-Y1056 HydrophobicContact CD1-CE2 4.25Å; P1048-Y1056 HydrophobicContact CG-CE2 4.04Å; D1050-Y1056 PolarHBondContact OD1-OH 2.97Å; G1053-Y1056 WeakPolarHBondContact CA-OH 3.39Å; G1053-Y1056 CarbonylContact O-C 3.54Å; G1053-Y1056 WeakPolarHBondContact O-CD2 3.37Å; G1053-Y1056 PolarHBondContact O-N 2.87Å; H1054-Y1056 PolarHBondContact O-N 3.36Å; Y1056-I1058 HydrophobicContact CD2-CB 4.09Å; Y1056-I1058 HydrophobicContact CD2-CD1 4.11Å; Y1056-I1058 HydrophobicContact CD2-CG1 4.17Å; Y1056-I1058 HydrophobicContact CE2-CB 3.89Å; Y1056-I1058 HydrophobicContact CE2-CD1 3.93Å; Y1056-I1058 HydrophobicContact CE2-CG1 4.22Å; Y1056-A1096 WeakPolarHBondContact O-CB 3.39Å
1057	G	90.9	Very high	83.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	20.7	171.8	0	0	0	0	0	115.8	K939 G1053 H1054 Y1059 G1094	K939-G1057 PolarHBondContact N-O 2.95Å; G1053-G1057 PolarHBondContact O-N 2.88Å; G1053-G1057 VanDerWaalsContact O-N 3.16Å; H1054-G1057 PolarHBondContact O-N 3.32Å; G1057-Y1059 WeakPolarHBondContact O-CE2 3.36Å; G1057-G1094 WeakPolarHBondContact CA-O 3.1Å
1058	I	93.9	Very high	82.8	Confident	2 Å²	2	35 Å²	35	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.6	172.4	-69.7	176.8	0	0	0	109.8	Y937 I938 F990 L1024 M1045 P1048 G1053 H1054 Y1056 T1060	Y937-I1058 CarbonylContact O-C 3.56Å; Y937-I1058 VanDerWaalsContact O-CA 3.29Å; Y937-I1058 WeakPolarHBondContact O-CA 3.34Å; I938-I1058 HydrophobicContact CB-CG1 4.36Å; I938-I1058 HydrophobicContact CD1-CG1 4.36Å; I938-I1058 HydrophobicContact CG1-CG1 4.16Å; F990-I1058 HydrophobicContact CE1-CG2 4.16Å; F990-I1058 HydrophobicContact CZ-CD1 4.4Å; F990-I1058 HydrophobicContact CZ-CG2 3.78Å; L1024-I1058 HydrophobicContact CD1-CD1 3.81Å; M1045-I1058 HydrophobicContact CE-CD1 3.95Å; M1045-I1058 HydrophobicContact SD-CD1 4.14Å; P1048-I1058 HydrophobicContact CG-CD1 3.74Å; G1053-I1058 CarbonylContact C-O 3.57Å; G1053-I1058 WeakPolarHBondContact CA-O 3.39Å; G1053-I1058 PolarHBondContact O-N 2.75Å; H1054-I1058 WeakPolarHBondContact CA-O 3.41Å; H1054-I1058 PolarHBondContact N-O 2.84Å; Y1056-I1058 HydrophobicContact CD2-CB 4.09Å; Y1056-I1058 HydrophobicContact CD2-CD1 4.11Å; Y1056-I1058 HydrophobicContact CD2-CG1 4.17Å; Y1056-I1058 HydrophobicContact CE2-CB 3.89Å; Y1056-I1058 HydrophobicContact CE2-CD1 3.93Å; Y1056-I1058 HydrophobicContact CE2-CG1 4.22Å; I1058-T1060 HydrophobicContact CG2-CG2 4.03Å
1059	Y	92.6	Very high	82.4	Confident	3 Å²	3	34.6 Å²	34.6	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.2	-174	-55.7	-89.9	0	0	0	108.8	C936 Y937 K939 H1054 G1057 R1076 C1077 G1080 G1094	C936-Y1059 CarbonylContact C-O 3.36Å; C936-Y1059 WeakPolarHBondContact CA-O 3.39Å; Y937-Y1059 PolarHBondContact N-O 3.33Å; Y937-Y1059 PolarHBondContact O-N 2.84Å; K939-Y1059 HydrophobicContact CB-CE2 4.03Å; H1054-Y1059 HydrophobicContact CB-CD1 3.98Å; H1054-Y1059 HydrophobicContact CB-CE1 3.8Å; G1057-Y1059 WeakPolarHBondContact O-CE2 3.36Å; Y1059-R1076 HydrophobicContact CD1-CB 3.79Å; Y1059-R1076 WeakPolarHBondContact CE1-O 3.42Å; Y1059-R1076 HydrophobicContact CG-CB 4.35Å; Y1059-C1077 VanDerWaalsContact CD2-CA 3.44Å; Y1059-C1077 HydrophobicContact CD2-CB 3.39Å; Y1059-C1077 HydrophobicContact CE2-CB 3.96Å; Y1059-C1077 HydrophobicContact CG-CB 3.72Å; Y1059-G1080 VanDerWaalsContact OH-CA 3.28Å; Y1059-G1080 WeakPolarHBondContact OH-CA 3.08Å; Y1059-G1094 WeakPolarHBondContact OH-CA 3.41Å; Y1059-G1094 PolarHBondContact OH-O 3.02Å
1060	T	91.3	Very high	82.4	Confident	16 Å²	16	31.8 Å²	31.8	10%	0.098	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.9	-178.2	66.6	0	0	0	0	110.6	A935 C936 I1058 R1076	A935-T1060 VanDerWaalsContact O-CA 3.27Å; A935-T1060 WeakPolarHBondContact O-CA 3.4Å; C936-T1060 HydrophobicContact CB-CG2 4.3Å; C936-T1060 WeakPolarHBondContact SG-CG2 3.08Å; I1058-T1060 HydrophobicContact CG2-CG2 4.03Å; T1060-R1076 PolarHBondContact O-NH1 2.76Å
1061	E	88.4	Confident	82.2	Confident	40 Å²	40	30.8 Å²	30.8	19%	0.187	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.1	166.6	-169.7	69.5	148.1	0	0	110.6	R934 A935 I1072 A1073 R1076	R934-E1061 CarbonylContact C-O 3.48Å; R934-E1061 VanDerWaalsContact CA-O 3.28Å; R934-E1061 WeakPolarHBondContact CA-O 3.06Å; A935-E1061 PolarHBondContact N-O 3.4Å; A935-E1061 PolarHBondContact O-N 2.84Å; E1061-I1072 HydrophobicContact CB-CB 4.37Å; E1061-I1072 HydrophobicContact CB-CG2 4.18Å; E1061-I1072 HydrophobicContact CG-CB 3.94Å; E1061-I1072 HydrophobicContact CG-CD1 4.34Å; E1061-I1072 HydrophobicContact CG-CG2 3.69Å; E1061-A1073 HydrophobicContact CB-CB 3.94Å; E1061-R1076 VanDerWaalsContact CD-NH1 3.34Å; E1061-R1076 IonicContact OE1-CZ 3.39Å; E1061-R1076 IonicContact OE1-NH1 3.66Å; E1061-R1076 IonicContact OE1-NH2 3.72Å; E1061-R1076 PolarHBondContact OE1-NH2 2.76Å; E1061-R1076 IonicContact OE2-CZ 2.63Å; E1061-R1076 IonicContact OE2-NH1 2.73Å; E1061-R1076 PolarHBondContact OE2-NH1 2.95Å; E1061-R1076 IonicContact OE2-NH2 3.75Å; E1061-R1076 PolarHBondContact OE2-NH2 2.85Å; E1061-R1076 VanDerWaalsContact OE2-NH2 3.09Å
1062	T	86.5	Confident	82.6	Confident	59 Å²	59	28.9 Å²	28.9	36%	0.362	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.1	174.8	-48.1	0	0	0	0	108.9	E932 Y933 R934	E932-T1062 HydrophobicContact CG-CG2 3.58Å; Y933-T1062 WeakPolarHBondContact O-CA 3.48Å; R934-T1062 HydrophobicContact CB-CG2 4.25Å; R934-T1062 WeakPolarHBondContact CG-OG1 3.31Å
1063	E	81.8	Confident	83.3	Confident	49 Å²	49	24.1 Å²	24.1	23%	0.229	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	164.9	179.4	-161.3	54.3	-127.7	0	0	111	Y933 D1065 T1068 A1069	Y933-E1063 PolarHBondContact N-O 3.36Å; Y933-E1063 PolarHBondContact O-N 2.76Å; E1063-D1065 PolarHBondContact O-N 2.89Å; E1063-T1068 HydrophobicContact CG-CG2 3.74Å; E1063-A1069 HydrophobicContact CB-CB 3.87Å
1064	Q	75	Confident	83.6	Confident	51 Å²	51	25 Å²	25	24%	0.238	13%	0.125	C	C	.	.	S	Bend	trans	-73.6	-10.3	174.9	-61.5	-170.1	-55.7	0	0	113.5	V473 M931 Y933	V473-Q1064 HydrophobicContact CG2-CB 4.37Å; V473-Q1064 VanDerWaalsContact CG2-OE1 3.24Å; M931-Q1064 WeakPolarHBondContact O-CA 3.34Å; Y933-Q1064 VanDerWaalsContact CD2-O 3.28Å; Y933-Q1064 WeakPolarHBondContact CD2-O 3.31Å; Y933-Q1064 VanDerWaalsContact CE2-O 3.24Å; Y933-Q1064 WeakPolarHBondContact CE2-O 3.38Å
1065	D	73.8	Confident	83.5	Confident	11 Å²	11	23.6 Å²	23.6	6%	0.059	12%	0.121	C	C	.	.	S	Bend	trans	-123.9	130.1	178.8	176.4	85	0	0	0	111.1	A545 E1063 R1067 T1068 A1069	A545-D1065 HydrophobicContact CB-CB 3.34Å; A545-D1065 PolarHBondContact N-OD1 2.85Å; A545-D1065 VanDerWaalsContact N-OD1 3.11Å; E1063-D1065 PolarHBondContact O-N 2.89Å; D1065-R1067 VanDerWaalsContact C-N 3.32Å; D1065-R1067 PolarHBondContact O-N 3.15Å; D1065-R1067 WeakPolarHBondContact OD2-CB 3.47Å; D1065-R1067 PolarHBondContact OD2-N 2.99Å; D1065-R1067 VanDerWaalsContact OD2-N 3.11Å; D1065-T1068 PolarHBondContact O-N 2.79Å; D1065-T1068 WeakPolarHBondContact OD2-CB 3.27Å; D1065-T1068 PolarHBondContact OD2-N 2.83Å; D1065-T1068 PolarHBondContact OD2-OG1 2.89Å; D1065-A1069 PolarHBondContact O-N 3.42Å; D1065-A1069 VanDerWaalsContact O-N 3.09Å
1066	P	79.9	Confident	83.7	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67	-32.6	-172.6	26	-32.1	0	0	0	112.7	F911 E913 W927 Y933 K1070	F911-P1066 HydrophobicContact CE1-CB 4.32Å; F911-P1066 HydrophobicContact CE1-CG 4.11Å; F911-P1066 HydrophobicContact CZ-CG 4.37Å; E913-P1066 HydrophobicContact CB-CG 4.3Å; W927-P1066 HydrophobicContact CZ2-CB 4.05Å; Y933-P1066 HydrophobicContact CD1-CB 3.77Å; Y933-P1066 HydrophobicContact CD1-CG 4.38Å; Y933-P1066 HydrophobicContact CD2-CB 4.18Å; Y933-P1066 HydrophobicContact CD2-CG 4.34Å; Y933-P1066 HydrophobicContact CE1-CB 4.21Å; Y933-P1066 HydrophobicContact CE1-CG 4.38Å; Y933-P1066 HydrophobicContact CE2-CG 4.34Å; Y933-P1066 HydrophobicContact CG-CB 3.73Å; Y933-P1066 HydrophobicContact CG-CG 4.34Å; P1066-K1070 WeakPolarHBondContact O-CB 3.39Å; P1066-K1070 WeakPolarHBondContact O-CG 3.08Å; P1066-K1070 PolarHBondContact O-N 3.17Å; P1066-K1070 VanDerWaalsContact O-N 3.07Å
1067	R	76.1	Confident	83.7	Confident	35 Å²	35	20.9 Å²	20.9	13%	0.132	10%	0.104	C	C	.	.	H	α-helix	trans	-73.7	-44.1	179.8	-58.8	-164.2	-150.2	176.3	21.6	111.2	E753 E913 D914 D1065 A1069 K1070 E1071	E753-R1067 VanDerWaalsContact O-CZ 3.28Å; E753-R1067 PolarHBondContact O-NH1 3.3Å; E753-R1067 PolarHBondContact O-NH2 2.94Å; E913-R1067 HydrophobicContact CB-CG 4.37Å; E913-R1067 PolarHBondContact O-NE 3.42Å; D914-R1067 IonicContact OD1-CZ 3.5Å; D914-R1067 IonicContact OD1-NE 3.72Å; D914-R1067 IonicContact OD1-NH1 2.87Å; D914-R1067 PolarHBondContact OD1-NH1 3.07Å; D914-R1067 IonicContact OD1-NH2 2.74Å; D914-R1067 PolarHBondContact OD1-NH2 3.47Å; D1065-R1067 VanDerWaalsContact C-N 3.32Å; D1065-R1067 PolarHBondContact O-N 3.15Å; D1065-R1067 WeakPolarHBondContact OD2-CB 3.47Å; D1065-R1067 PolarHBondContact OD2-N 2.99Å; D1065-R1067 VanDerWaalsContact OD2-N 3.11Å; R1067-A1069 VanDerWaalsContact C-N 3.31Å; R1067-A1069 PolarHBondContact O-N 3.45Å; R1067-K1070 CarbonylContact O-C 3.58Å; R1067-K1070 WeakPolarHBondContact O-CA 3.36Å; R1067-K1070 WeakPolarHBondContact O-CB 3.37Å; R1067-K1070 PolarHBondContact O-N 3.49Å; R1067-K1070 VanDerWaalsContact O-N 3.08Å; R1067-E1071 WeakPolarHBondContact O-CB 3.36Å; R1067-E1071 WeakPolarHBondContact O-CG 3.15Å; R1067-E1071 PolarHBondContact O-N 2.69Å
1068	T	74.9	Confident	83.6	Confident	3 Å²	3	22.1 Å²	22.1	2%	0.018	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-46.5	178.4	-55.5	0	0	0	0	110.4	Y475 A545 E1063 D1065 K1070 E1071 I1072	Y475-T1068 HydrophobicContact CD1-CG2 4.49Å; Y475-T1068 HydrophobicContact CD2-CG2 4.28Å; Y475-T1068 HydrophobicContact CE1-CG2 3.83Å; Y475-T1068 WeakPolarHBondContact CE1-OG1 3.38Å; Y475-T1068 HydrophobicContact CE2-CG2 3.54Å; Y475-T1068 WeakPolarHBondContact OH-CG2 3.14Å; Y475-T1068 PolarHBondContact OH-OG1 2.9Å; A545-T1068 WeakPolarHBondContact CB-OG1 3.46Å; E1063-T1068 HydrophobicContact CG-CG2 3.74Å; D1065-T1068 PolarHBondContact O-N 2.79Å; D1065-T1068 WeakPolarHBondContact OD2-CB 3.27Å; D1065-T1068 PolarHBondContact OD2-N 2.83Å; D1065-T1068 PolarHBondContact OD2-OG1 2.89Å; T1068-K1070 VanDerWaalsContact C-N 3.33Å; T1068-K1070 PolarHBondContact O-N 2.62Å; T1068-E1071 PolarHBondContact O-N 2.73Å; T1068-I1072 HydrophobicContact CG2-CD1 3.65Å; T1068-I1072 HydrophobicContact CG2-CG1 4.34Å; T1068-I1072 WeakPolarHBondContact O-CB 3.47Å; T1068-I1072 VanDerWaalsContact O-CG1 3.29Å; T1068-I1072 WeakPolarHBondContact O-CG1 3.47Å; T1068-I1072 PolarHBondContact O-N 3.45Å
1069	A	82.1	Confident	83.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.1	-47.9	173.1	0	0	0	0	0	111.6	Y933 A935 E1063 D1065 R1067 A1073	Y933-A1069 WeakPolarHBondContact O-CB 3.17Å; A935-A1069 HydrophobicContact CB-CB 3.98Å; E1063-A1069 HydrophobicContact CB-CB 3.87Å; D1065-A1069 PolarHBondContact O-N 3.42Å; D1065-A1069 VanDerWaalsContact O-N 3.09Å; R1067-A1069 VanDerWaalsContact C-N 3.31Å; R1067-A1069 PolarHBondContact O-N 3.45Å; A1069-A1073 VanDerWaalsContact O-CB 3.26Å; A1069-A1073 WeakPolarHBondContact O-CB 3.38Å; A1069-A1073 PolarHBondContact O-N 2.94Å; A1069-A1073 VanDerWaalsContact O-N 3.08Å
1070	K	84.4	Confident	83.1	Confident	12 Å²	12	23.8 Å²	23.8	5%	0.052	12%	0.122	C	C	.	.	H	α-helix	trans	-61.2	-46	178.1	-85.5	-177.7	165.5	-178	0	112.8	D905 E913 W927 A935 Y937 E989 P1066 R1067 T1068 L1074	D905-K1070 IonicContact OD2-NZ 3.9Å; D905-K1070 PolarHBondContact OD2-NZ 3.1Å; E913-K1070 VanDerWaalsContact OE1-CE 3.27Å; E913-K1070 WeakPolarHBondContact OE1-CE 3.26Å; E913-K1070 IonicContact OE1-NZ 3.51Å; E913-K1070 PolarHBondContact OE1-NZ 2.88Å; E913-K1070 IonicContact OE2-NZ 3.95Å; E913-K1070 PolarHBondContact OE2-NZ 2.96Å; W927-K1070 HydrophobicContact CH2-CG 4.35Å; W927-K1070 HydrophobicContact CZ2-CD 4.5Å; W927-K1070 HydrophobicContact CZ2-CG 4.48Å; A935-K1070 HydrophobicContact CB-CB 4.47Å; A935-K1070 HydrophobicContact CB-CG 4.01Å; Y937-K1070 WeakPolarHBondContact CE2-O 2.95Å; Y937-K1070 PolarHBondContact OH-O 3.41Å; E989-K1070 VanDerWaalsContact CD-CE 3.47Å; E989-K1070 WeakPolarHBondContact OE1-CE 3.47Å; E989-K1070 IonicContact OE1-NZ 3.98Å; E989-K1070 WeakPolarHBondContact OE2-CE 3.45Å; E989-K1070 IonicContact OE2-NZ 2.86Å; P1066-K1070 WeakPolarHBondContact O-CB 3.39Å; P1066-K1070 WeakPolarHBondContact O-CG 3.08Å; P1066-K1070 PolarHBondContact O-N 3.17Å; P1066-K1070 VanDerWaalsContact O-N 3.07Å; R1067-K1070 CarbonylContact O-C 3.58Å; R1067-K1070 WeakPolarHBondContact O-CA 3.36Å; R1067-K1070 WeakPolarHBondContact O-CB 3.37Å; R1067-K1070 PolarHBondContact O-N 3.49Å; R1067-K1070 VanDerWaalsContact O-N 3.08Å; T1068-K1070 VanDerWaalsContact C-N 3.33Å; T1068-K1070 PolarHBondContact O-N 2.62Å; K1070-L1074 WeakPolarHBondContact O-CB 3.11Å; K1070-L1074 PolarHBondContact O-N 2.81Å
1071	E	77.1	Confident	82.8	Confident	30 Å²	30	25.4 Å²	25.4	14%	0.14	13%	0.131	C	C	.	.	H	α-helix	trans	-67.6	-45.2	-176.2	-76.4	-178.6	165.8	0	0	111.9	G811 R898 R1067 T1068 L1074 G1075	G811-E1071 WeakPolarHBondContact CA-OE2 3.32Å; R898-E1071 IonicContact NH2-OE1 2.84Å; R1067-E1071 WeakPolarHBondContact O-CB 3.36Å; R1067-E1071 WeakPolarHBondContact O-CG 3.15Å; R1067-E1071 PolarHBondContact O-N 2.69Å; T1068-E1071 PolarHBondContact O-N 2.73Å; E1071-L1074 PolarHBondContact O-N 2.74Å; E1071-G1075 PolarHBondContact O-N 3.24Å
1072	I	78	Confident	82.4	Confident	48 Å²	48	25.5 Å²	25.5	25%	0.246	14%	0.137	C	C	.	.	H	α-helix	trans	-63.7	-48.6	178	-65.5	170.1	0	0	0	109.6	E1061 T1068 L1074 G1075 R1076	E1061-I1072 HydrophobicContact CB-CB 4.37Å; E1061-I1072 HydrophobicContact CB-CG2 4.18Å; E1061-I1072 HydrophobicContact CG-CB 3.94Å; E1061-I1072 HydrophobicContact CG-CD1 4.34Å; E1061-I1072 HydrophobicContact CG-CG2 3.69Å; T1068-I1072 HydrophobicContact CG2-CD1 3.65Å; T1068-I1072 HydrophobicContact CG2-CG1 4.34Å; T1068-I1072 WeakPolarHBondContact O-CB 3.47Å; T1068-I1072 VanDerWaalsContact O-CG1 3.29Å; T1068-I1072 WeakPolarHBondContact O-CG1 3.47Å; T1068-I1072 PolarHBondContact O-N 3.45Å; I1072-L1074 VanDerWaalsContact C-N 3.31Å; I1072-L1074 PolarHBondContact O-N 2.76Å; I1072-G1075 PolarHBondContact O-N 2.93Å; I1072-R1076 VanDerWaalsContact O-CG 3.3Å; I1072-R1076 WeakPolarHBondContact O-CG 3.27Å; I1072-R1076 PolarHBondContact O-N 2.78Å
1073	A	86.9	Confident	81.8	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-37.2	178.9	0	0	0	0	0	112.3	A935 Y937 E1061 A1069 C1077	A935-A1073 HydrophobicContact CB-CB 4.22Å; Y937-A1073 HydrophobicContact CD2-CB 3.63Å; Y937-A1073 HydrophobicContact CE2-CB 3.82Å; E1061-A1073 HydrophobicContact CB-CB 3.94Å; A1069-A1073 VanDerWaalsContact O-CB 3.26Å; A1069-A1073 WeakPolarHBondContact O-CB 3.38Å; A1069-A1073 PolarHBondContact O-N 2.94Å; A1069-A1073 VanDerWaalsContact O-N 3.08Å; A1073-C1077 WeakPolarHBondContact O-CB 3.26Å; A1073-C1077 PolarHBondContact O-N 3.37Å
1074	L	85.8	Confident	81.3	Confident	20 Å²	20	25.9 Å²	25.9	11%	0.105	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-45.6	175.5	-173.9	63.1	0	0	0	112	Y937 C987 K1070 E1071 I1072 R1076 C1077 F1078	Y937-L1074 HydrophobicContact CD1-CD1 3.92Å; Y937-L1074 HydrophobicContact CE1-CB 4.41Å; Y937-L1074 HydrophobicContact CE1-CD1 3.64Å; Y937-L1074 HydrophobicContact CE2-CB 4.17Å; C987-L1074 HydrophobicContact CB-CD1 3.62Å; K1070-L1074 WeakPolarHBondContact O-CB 3.11Å; K1070-L1074 PolarHBondContact O-N 2.81Å; E1071-L1074 PolarHBondContact O-N 2.74Å; I1072-L1074 VanDerWaalsContact C-N 3.31Å; I1072-L1074 PolarHBondContact O-N 2.76Å; L1074-R1076 VanDerWaalsContact C-N 3.33Å; L1074-R1076 PolarHBondContact O-N 2.72Å; L1074-C1077 WeakPolarHBondContact O-CA 3.22Å; L1074-C1077 WeakPolarHBondContact O-CB 3.34Å; L1074-C1077 PolarHBondContact O-N 3.38Å; L1074-C1077 VanDerWaalsContact O-N 3.09Å; L1074-F1078 HydrophobicContact CD1-CD2 3.82Å; L1074-F1078 HydrophobicContact CD1-CE2 3.48Å; L1074-F1078 VanDerWaalsContact CD1-CE2 3.48Å; L1074-F1078 HydrophobicContact CD2-CE2 4.43Å; L1074-F1078 HydrophobicContact CG-CD2 3.99Å; L1074-F1078 HydrophobicContact CG-CE2 3.81Å; L1074-F1078 WeakPolarHBondContact O-CD2 3.4Å; L1074-F1078 PolarHBondContact O-N 3.12Å
1075	G	81	Confident	81	Confident	10 Å²	10	28.6 Å²	28.6	10%	0.103	16%	0.159	C	C	.	.	H	α-helix	trans	-61.8	-39.6	177.9	0	0	0	0	0	112.8	E1071 I1072 C1077 F1078 D1079 G1084	E1071-G1075 PolarHBondContact O-N 3.24Å; I1072-G1075 PolarHBondContact O-N 2.93Å; G1075-C1077 VanDerWaalsContact C-N 3.34Å; G1075-F1078 PolarHBondContact O-N 3.47Å; G1075-D1079 WeakPolarHBondContact O-CB 3.38Å; G1075-D1079 PolarHBondContact O-N 2.91Å; G1075-D1079 VanDerWaalsContact O-N 3.09Å; G1075-G1084 CarbonylContact C-O 3.46Å
1076	R	87.4	Confident	80.7	Confident	49 Å²	49	29.4 Å²	29.4	19%	0.185	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-42.8	171.1	-70.7	175.4	-177.4	176.3	5.8	111.7	Y1059 T1060 E1061 I1072 L1074 D1079 G1080 T1081 S1082 G1084	Y1059-R1076 HydrophobicContact CD1-CB 3.79Å; Y1059-R1076 WeakPolarHBondContact CE1-O 3.42Å; Y1059-R1076 HydrophobicContact CG-CB 4.35Å; T1060-R1076 PolarHBondContact O-NH1 2.76Å; E1061-R1076 VanDerWaalsContact CD-NH1 3.34Å; E1061-R1076 IonicContact OE1-CZ 3.39Å; E1061-R1076 IonicContact OE1-NH1 3.66Å; E1061-R1076 IonicContact OE1-NH2 3.72Å; E1061-R1076 PolarHBondContact OE1-NH2 2.76Å; E1061-R1076 IonicContact OE2-CZ 2.63Å; E1061-R1076 IonicContact OE2-NH1 2.73Å; E1061-R1076 PolarHBondContact OE2-NH1 2.95Å; E1061-R1076 IonicContact OE2-NH2 3.75Å; E1061-R1076 PolarHBondContact OE2-NH2 2.85Å; E1061-R1076 VanDerWaalsContact OE2-NH2 3.09Å; I1072-R1076 VanDerWaalsContact O-CG 3.3Å; I1072-R1076 WeakPolarHBondContact O-CG 3.27Å; I1072-R1076 PolarHBondContact O-N 2.78Å; L1074-R1076 VanDerWaalsContact C-N 3.33Å; L1074-R1076 PolarHBondContact O-N 2.72Å; R1076-D1079 PolarHBondContact O-N 3.02Å; R1076-G1080 PolarHBondContact O-N 3.48Å; R1076-T1081 WeakPolarHBondContact CA-O 3.28Å; R1076-T1081 VanDerWaalsContact CB-O 3.32Å; R1076-T1081 WeakPolarHBondContact CB-O 3.21Å; R1076-T1081 PolarHBondContact O-N 3.4Å; R1076-S1082 WeakPolarHBondContact CD-O 3.37Å; R1076-S1082 WeakPolarHBondContact CG-O 3.09Å; R1076-S1082 PolarHBondContact NE-O 2.88Å; R1076-G1084 WeakPolarHBondContact CA-O 3.44Å; R1076-G1084 WeakPolarHBondContact CG-O 2.97Å; R1076-G1084 PolarHBondContact N-O 2.81Å
1077	C	90.1	Very high	79.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-43.6	177.6	-178.2	0	0	0	0	113	K939 C987 Y1059 A1073 L1074 G1075 D1079 G1080	K939-C1077 WeakPolarHBondContact CD-O 3.28Å; K939-C1077 VanDerWaalsContact CE-O 3.24Å; K939-C1077 WeakPolarHBondContact CE-O 3.02Å; K939-C1077 PolarHBondContact NZ-O 3.03Å; C987-C1077 VanDerWaalsContact CA-SG 3.58Å; C987-C1077 HydrophobicContact CB-CB 3.84Å; C987-C1077 WeakPolarHBondContact CB-SG 3.48Å; C987-C1077 WeakPolarHBondContact SG-CB 3.42Å; C987-C1077 CovalentContact SG-SG 2.03Å; C987-C1077 PolarHBondContact SG-SG 2.97Å; Y1059-C1077 VanDerWaalsContact CD2-CA 3.44Å; Y1059-C1077 HydrophobicContact CD2-CB 3.39Å; Y1059-C1077 HydrophobicContact CE2-CB 3.96Å; Y1059-C1077 HydrophobicContact CG-CB 3.72Å; A1073-C1077 WeakPolarHBondContact O-CB 3.26Å; A1073-C1077 PolarHBondContact O-N 3.37Å; L1074-C1077 WeakPolarHBondContact O-CA 3.22Å; L1074-C1077 WeakPolarHBondContact O-CB 3.34Å; L1074-C1077 PolarHBondContact O-N 3.38Å; L1074-C1077 VanDerWaalsContact O-N 3.09Å; G1075-C1077 VanDerWaalsContact C-N 3.34Å; C1077-D1079 VanDerWaalsContact C-N 3.35Å; C1077-D1079 PolarHBondContact O-N 2.85Å; C1077-G1080 PolarHBondContact O-N 2.83Å
1078	F	88.1	Confident	79.8	Confident	27 Å²	27	37.9 Å²	37.9	12%	0.118	21%	0.209	C	C	.	.	H	α-helix	trans	-61.8	-43.8	177.6	-91.2	-124.4	0	0	0	111.7	K939 I975 C987 L1074 G1075 S1086 R1087 M1089 K1090	K939-F1078 PolarHBondContact NZ-O 3.17Å; K939-F1078 VanDerWaalsContact NZ-O 3.15Å; I975-F1078 HydrophobicContact CD1-CE1 3.69Å; I975-F1078 HydrophobicContact CD1-CZ 3.48Å; I975-F1078 VanDerWaalsContact CD1-CZ 3.48Å; C987-F1078 HydrophobicContact CB-CD2 4.07Å; C987-F1078 HydrophobicContact CB-CE2 3.97Å; L1074-F1078 HydrophobicContact CD1-CD2 3.82Å; L1074-F1078 HydrophobicContact CD1-CE2 3.48Å; L1074-F1078 VanDerWaalsContact CD1-CE2 3.48Å; L1074-F1078 HydrophobicContact CD2-CE2 4.43Å; L1074-F1078 HydrophobicContact CG-CD2 3.99Å; L1074-F1078 HydrophobicContact CG-CE2 3.81Å; L1074-F1078 WeakPolarHBondContact O-CD2 3.4Å; L1074-F1078 PolarHBondContact O-N 3.12Å; G1075-F1078 PolarHBondContact O-N 3.47Å; F1078-S1086 WeakPolarHBondContact CB-O 3.44Å; F1078-R1087 VanDerWaalsContact CD1-C 3.44Å; F1078-R1087 VanDerWaalsContact CD1-O 3.23Å; F1078-R1087 WeakPolarHBondContact CD1-O 3.43Å; F1078-R1087 WeakPolarHBondContact CE1-O 3.43Å; F1078-M1089 HydrophobicContact CD1-CB 4.16Å; F1078-M1089 HydrophobicContact CD1-CE 4.2Å; F1078-M1089 HydrophobicContact CD2-CE 3.74Å; F1078-M1089 HydrophobicContact CE1-CB 4.31Å; F1078-M1089 HydrophobicContact CE1-CE 4.08Å; F1078-M1089 HydrophobicContact CE2-CE 3.55Å; F1078-M1089 HydrophobicContact CG-CE 4.07Å; F1078-M1089 HydrophobicContact CZ-CE 3.76Å; F1078-K1090 PolarHBondContact O-N 3.38Å
1079	D	87.8	Confident	80.2	Confident	27 Å²	27	38.5 Å²	38.5	14%	0.144	21%	0.212	C	C	.	.	H	α-helix	trans	-72.8	-29.3	177.8	-163	40.7	0	0	0	113.3	G1075 R1076 C1077 T1081 G1084 S1086 K1090	G1075-D1079 WeakPolarHBondContact O-CB 3.38Å; G1075-D1079 PolarHBondContact O-N 2.91Å; G1075-D1079 VanDerWaalsContact O-N 3.09Å; R1076-D1079 PolarHBondContact O-N 3.02Å; C1077-D1079 VanDerWaalsContact C-N 3.35Å; C1077-D1079 PolarHBondContact O-N 2.85Å; D1079-T1081 PolarHBondContact OD2-OG1 3.03Å; D1079-G1084 WeakPolarHBondContact OD2-CA 3.15Å; D1079-S1086 WeakPolarHBondContact OD1-CB 3.28Å; D1079-K1090 WeakPolarHBondContact O-CD 3.32Å; D1079-K1090 WeakPolarHBondContact OD1-CE 3.4Å; D1079-K1090 IonicContact OD1-NZ 3.66Å; D1079-K1090 PolarHBondContact OD1-NZ 2.93Å
1080	G	88.2	Confident	80.5	Confident	13 Å²	13	41.9 Å²	41.9	13%	0.134	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	18	-175.4	0	0	0	0	0	114.3	Y1059 R1076 C1077	Y1059-G1080 VanDerWaalsContact OH-CA 3.28Å; Y1059-G1080 WeakPolarHBondContact OH-CA 3.08Å; R1076-G1080 PolarHBondContact O-N 3.48Å; C1077-G1080 PolarHBondContact O-N 2.83Å
1081	T	85.3	Confident	80.7	Confident	50 Å²	50	41.4 Å²	41.4	31%	0.307	23%	0.225	S	C	.	.	S	Bend	trans	-137.3	159.8	-175.4	76.4	0	0	0	0	112	R1076 D1079 G1084	R1076-T1081 WeakPolarHBondContact CA-O 3.28Å; R1076-T1081 VanDerWaalsContact CB-O 3.32Å; R1076-T1081 WeakPolarHBondContact CB-O 3.21Å; R1076-T1081 PolarHBondContact O-N 3.4Å; D1079-T1081 PolarHBondContact OD2-OG1 3.03Å; T1081-G1084 WeakPolarHBondContact OG1-CA 3.39Å; T1081-G1084 PolarHBondContact OG1-N 2.03Å
1082	S	80.1	Confident	81.2	Confident	42 Å²	42	44 Å²	44	29%	0.294	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-31.9	178.7	49.2	0	0	0	0	114	R1076	R1076-S1082 WeakPolarHBondContact CD-O 3.37Å; R1076-S1082 WeakPolarHBondContact CG-O 3.09Å; R1076-S1082 PolarHBondContact NE-O 2.88Å
1083	D	73.8	Confident	81.7	Confident	111 Å²	111	46 Å²	46	59%	0.594	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	11.6	-178.9	-66.7	-29.7	0	0	0	112.8	K505	K505-D1083 PolarHBondContact NZ-O 2.82Å
1084	G	71.5	Confident	81.9	Confident	4 Å²	4	47.1 Å²	47.1	4%	0.041	26%	0.259	C	S	.	.			trans	-72	140.4	-174.5	0	0	0	0	0	113.1	G1075 R1076 D1079 T1081	G1075-G1084 CarbonylContact C-O 3.46Å; R1076-G1084 WeakPolarHBondContact CA-O 3.44Å; R1076-G1084 WeakPolarHBondContact CG-O 2.97Å; R1076-G1084 PolarHBondContact N-O 2.81Å; D1079-G1084 WeakPolarHBondContact OD2-CA 3.15Å; T1081-G1084 WeakPolarHBondContact OG1-CA 3.39Å; T1081-G1084 PolarHBondContact OG1-N 2.03Å
1085	T	68.7	Low	82.3	Confident	109 Å²	109	47.3 Å²	47.3	67%	0.669	26%	0.261	S	S	*	.			trans	-129.6	23.3	173.9	64.4	0	0	0	0	111.1
1086	S	68.1	Low	82.9	Confident	28 Å²	28	46.9 Å²	46.9	20%	0.196	26%	0.257	C	S	.	.			trans	-69.3	144	179.6	-176.1	0	0	0	0	110	F1078 D1079 V1088	F1078-S1086 WeakPolarHBondContact CB-O 3.44Å; D1079-S1086 WeakPolarHBondContact OD1-CB 3.28Å; S1086-V1088 PolarHBondContact OG-N 2.92Å; S1086-V1088 VanDerWaalsContact OG-N 3.16Å; S1086-V1088 PolarHBondContact OG-O 2.91Å
1087	R	63.5	Low	83.3	Confident	105 Å²	105	44.5 Å²	44.5	40%	0.396	25%	0.248	S	C	.	.			trans	-116.7	2.7	168.6	-61.8	-171	178.4	-166.2	0.4	112.9	G811 E813 F1078	G811-R1087 PolarHBondContact O-NH2 3.41Å; E813-R1087 IonicContact OE1-NH1 2.56Å; E813-R1087 PolarHBondContact OE1-NH1 3.36Å; E813-R1087 IonicContact OE2-CZ 3.32Å; E813-R1087 IonicContact OE2-NH1 2.83Å; E813-R1087 PolarHBondContact OE2-NH1 2.84Å; E813-R1087 IonicContact OE2-NH2 2.73Å; F1078-R1087 VanDerWaalsContact CD1-C 3.44Å; F1078-R1087 VanDerWaalsContact CD1-O 3.23Å; F1078-R1087 WeakPolarHBondContact CD1-O 3.43Å; F1078-R1087 WeakPolarHBondContact CE1-O 3.43Å
1088	V	74.1	Confident	83.5	Confident	108 Å²	108	45.2 Å²	45.2	66%	0.655	25%	0.253	S	S	*	.	S	Bend	trans	-88.7	120.5	162.9	-177.8	0	0	0	0	106.7	S1086 K1090	S1086-V1088 PolarHBondContact OG-N 2.92Å; S1086-V1088 VanDerWaalsContact OG-N 3.16Å; S1086-V1088 PolarHBondContact OG-O 2.91Å; V1088-K1090 PolarHBondContact O-N 3.2Å
1089	M	82.4	Confident	83.8	Confident	15 Å²	15	44 Å²	44	7%	0.074	25%	0.247	C	C	.	.			trans	-63.9	108.2	178.5	179.5	64.1	70.2	0	0	109.3	I975 A985 C987 F1078 T1091	I975-M1089 HydrophobicContact CB-CB 4.33Å; I975-M1089 HydrophobicContact CD1-CB 4.47Å; I975-M1089 HydrophobicContact CD1-CE 4.1Å; I975-M1089 HydrophobicContact CG2-CB 4.17Å; A985-M1089 HydrophobicContact CB-CG 3.8Å; A985-M1089 HydrophobicContact CB-SD 3.88Å; C987-M1089 HydrophobicContact CB-CE 4.27Å; F1078-M1089 HydrophobicContact CD1-CB 4.16Å; F1078-M1089 HydrophobicContact CD1-CE 4.2Å; F1078-M1089 HydrophobicContact CD2-CE 3.74Å; F1078-M1089 HydrophobicContact CE1-CB 4.31Å; F1078-M1089 HydrophobicContact CE1-CE 4.08Å; F1078-M1089 HydrophobicContact CE2-CE 3.55Å; F1078-M1089 HydrophobicContact CG-CE 4.07Å; F1078-M1089 HydrophobicContact CZ-CE 3.76Å; M1089-T1091 HydrophobicContact CG-CG2 4Å; M1089-T1091 PolarHBondContact O-N 3.14Å
1090	K	88.5	Confident	84.1	Confident	71 Å²	71	44.9 Å²	44.9	31%	0.309	26%	0.256	S	S	.	.			trans	-81.3	94.8	169.2	-63.9	-169.8	-170.4	160	0	108.9	K939 F1078 D1079 V1088 N1092 E1093	K939-K1090 WeakPolarHBondContact CE-O 3.47Å; K939-K1090 PolarHBondContact NZ-O 3.04Å; F1078-K1090 PolarHBondContact O-N 3.38Å; D1079-K1090 WeakPolarHBondContact O-CD 3.32Å; D1079-K1090 WeakPolarHBondContact OD1-CE 3.4Å; D1079-K1090 IonicContact OD1-NZ 3.66Å; D1079-K1090 PolarHBondContact OD1-NZ 2.93Å; V1088-K1090 PolarHBondContact O-N 3.2Å; K1090-N1092 PolarHBondContact O-N 2.76Å; K1090-N1092 VanDerWaalsContact O-N 3.1Å; K1090-E1093 HydrophobicContact CB-CB 4.19Å; K1090-E1093 HydrophobicContact CB-CG 4.47Å; K1090-E1093 HydrophobicContact CD-CB 4.48Å; K1090-E1093 VanDerWaalsContact CD-CD 3.5Å; K1090-E1093 HydrophobicContact CD-CG 4.33Å; K1090-E1093 WeakPolarHBondContact CD-OE2 3.11Å; K1090-E1093 IonicContact NZ-OE2 3.56Å; K1090-E1093 PolarHBondContact NZ-OE2 3.07Å; K1090-E1093 PolarHBondContact O-N 2.82Å
1091	T	87.9	Confident	84.2	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.012	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19	-168.2	62.1	0	0	0	0	114.9	D977 A985 M1089 V1095	D977-T1091 HydrophobicContact CB-CG2 3.75Å; D977-T1091 WeakPolarHBondContact OD2-CB 3.04Å; D977-T1091 WeakPolarHBondContact OD2-CG2 3.14Å; D977-T1091 PolarHBondContact OD2-OG1 3.19Å; A985-T1091 HydrophobicContact CB-CG2 3.89Å; M1089-T1091 HydrophobicContact CG-CG2 4Å; M1089-T1091 PolarHBondContact O-N 3.14Å; T1091-V1095 WeakPolarHBondContact O-CG2 3.08Å
1092	N	87.6	Confident	83.9	Confident	84 Å²	84	44.8 Å²	44.8	45%	0.449	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-8.9	-175	-63.8	-51.4	0	0	0	114.6	K941 Q980 K1090	K941-N1092 PolarHBondContact NZ-OD1 2.67Å; Q980-N1092 PolarHBondContact NE2-ND2 3.11Å; K1090-N1092 PolarHBondContact O-N 2.76Å; K1090-N1092 VanDerWaalsContact O-N 3.1Å
1093	E	90.1	Very high	83	Confident	91 Å²	91	48 Å²	48	43%	0.425	28%	0.277	S	S	.	.	S	Bend	trans	-98.4	132.5	-178.1	-69.5	-177.3	-168.5	0	0	111.3	K939 K1090 V1095	K939-E1093 VanDerWaalsContact CD-O 3.27Å; K939-E1093 WeakPolarHBondContact CD-O 3.33Å; K939-E1093 WeakPolarHBondContact CE-O 3.29Å; K939-E1093 PolarHBondContact NZ-O 2.89Å; K1090-E1093 HydrophobicContact CB-CB 4.19Å; K1090-E1093 HydrophobicContact CB-CG 4.47Å; K1090-E1093 HydrophobicContact CD-CB 4.48Å; K1090-E1093 VanDerWaalsContact CD-CD 3.5Å; K1090-E1093 HydrophobicContact CD-CG 4.33Å; K1090-E1093 WeakPolarHBondContact CD-OE2 3.11Å; K1090-E1093 IonicContact NZ-OE2 3.56Å; K1090-E1093 PolarHBondContact NZ-OE2 3.07Å; K1090-E1093 PolarHBondContact O-N 2.82Å; E1093-V1095 PolarHBondContact O-N 2.9Å
1094	G	89.3	Confident	81.7	Confident	23 Å²	23	52.8 Å²	52.8	24%	0.237	29%	0.286	C	S	.	.	S	Bend	trans	61.8	41.4	172	0	0	0	0	0	114.5	K939 G1057 Y1059	K939-G1094 WeakPolarHBondContact CB-O 3.44Å; K939-G1094 WeakPolarHBondContact CD-O 3.09Å; G1057-G1094 WeakPolarHBondContact CA-O 3.1Å; Y1059-G1094 WeakPolarHBondContact OH-CA 3.41Å; Y1059-G1094 PolarHBondContact OH-O 3.02Å
1095	V	94.1	Very high	80.1	Confident	24 Å²	24	60 Å²	60	15%	0.145	32%	0.319	C	S	.	.			trans	-84.9	133.5	-178.8	-179.9	0	0	0	0	110.9	K939 K941 N1021 T1091 E1093 L1097	K939-V1095 HydrophobicContact CD-CG2 4.35Å; K941-V1095 HydrophobicContact CB-CG1 3.72Å; K941-V1095 HydrophobicContact CB-CG2 4.4Å; N1021-V1095 PolarHBondContact ND2-O 2.85Å; N1021-V1095 VanDerWaalsContact ND2-O 3.13Å; T1091-V1095 WeakPolarHBondContact O-CG2 3.08Å; E1093-V1095 PolarHBondContact O-N 2.9Å; V1095-L1097 VanDerWaalsContact CG1-O 3.24Å; V1095-L1097 WeakPolarHBondContact CG1-O 3.45Å
1096	A	94.8	Very high	78.6	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.008	33%	0.326	C	S	.	.			trans	-91.2	-43.6	175.3	0	0	0	0	0	112.5	I938 K939 N1021 L1024 Y1056	I938-A1096 HydrophobicContact CD1-CB 3.8Å; I938-A1096 HydrophobicContact CG1-CB 3.46Å; I938-A1096 VanDerWaalsContact CG1-CB 3.46Å; K939-A1096 WeakPolarHBondContact O-CB 3.04Å; K939-A1096 PolarHBondContact O-N 2.86Å; N1021-A1096 WeakPolarHBondContact CB-O 3.23Å; N1021-A1096 PolarHBondContact N-O 2.66Å; L1024-A1096 HydrophobicContact CD2-CB 4.15Å; Y1056-A1096 WeakPolarHBondContact O-CB 3.39Å
1097	L	95	Very high	77.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.4	-172.8	-58.1	172.4	0	0	0	110.7	I938 K939 V940 K941 V1009 V1020 F1043 V1095 F1099	I938-L1097 HydrophobicContact CD1-CD1 3.66Å; I938-L1097 HydrophobicContact CD1-CG 4.01Å; K939-L1097 PolarHBondContact O-N 2.74Å; V940-L1097 CarbonylContact C-O 3.57Å; V940-L1097 WeakPolarHBondContact CA-O 2.98Å; V940-L1097 HydrophobicContact CG1-CB 4.19Å; V940-L1097 HydrophobicContact CG2-CB 4.32Å; V940-L1097 HydrophobicContact CG2-CD1 4.25Å; K941-L1097 PolarHBondContact N-O 2.77Å; V1009-L1097 HydrophobicContact CB-CD1 4.26Å; V1009-L1097 HydrophobicContact CG1-CD1 4.21Å; V1009-L1097 HydrophobicContact CG2-CD1 4.16Å; V1020-L1097 HydrophobicContact CB-CD2 4.3Å; V1020-L1097 HydrophobicContact CG1-CD2 3.99Å; V1020-L1097 HydrophobicContact CG2-CD2 3.89Å; F1043-L1097 HydrophobicContact CB-CD1 4.04Å; F1043-L1097 HydrophobicContact CB-CD2 4.47Å; F1043-L1097 HydrophobicContact CD1-CD1 3.5Å; F1043-L1097 HydrophobicContact CD1-CD2 3.74Å; F1043-L1097 HydrophobicContact CD1-CG 4.26Å; F1043-L1097 HydrophobicContact CD2-CD2 3.91Å; F1043-L1097 HydrophobicContact CE1-CD1 4.13Å; F1043-L1097 HydrophobicContact CE1-CD2 3.82Å; F1043-L1097 HydrophobicContact CE2-CD2 4Å; F1043-L1097 HydrophobicContact CG-CD1 3.89Å; F1043-L1097 HydrophobicContact CG-CD2 3.77Å; F1043-L1097 HydrophobicContact CZ-CD2 3.94Å; V1095-L1097 VanDerWaalsContact CG1-O 3.24Å; V1095-L1097 WeakPolarHBondContact CG1-O 3.45Å; L1097-F1099 HydrophobicContact CB-CE2 4.27Å; L1097-F1099 HydrophobicContact CD1-CE2 4.47Å
1098	S	94.1	Very high	75.8	Confident	15 Å²	15	71.2 Å²	71.2	11%	0.105	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134	170.8	-57.6	0	0	0	0	110.7	K941 D1018 H1019	K941-S1098 CarbonylContact O-C 3.59Å; K941-S1098 VanDerWaalsContact O-CA 3.31Å; K941-S1098 WeakPolarHBondContact O-CA 3.4Å; D1018-S1098 PolarHBondContact N-O 3.18Å; H1019-S1098 PolarHBondContact N-O 3.1Å; H1019-S1098 PolarHBondContact O-N 3.19Å
1099	F	95.3	Very high	73.9	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.4	172.8	-73.4	-95	0	0	0	110.8	V940 K941 I942 N943 V1009 P1011 C1015 K1016 R1017 F1043 L1097	V940-F1099 HydrophobicContact CG1-CD2 3.66Å; V940-F1099 HydrophobicContact CG1-CE2 4Å; K941-F1099 PolarHBondContact O-N 3.5Å; I942-F1099 WeakPolarHBondContact CA-O 3.34Å; N943-F1099 PolarHBondContact N-O 2.83Å; V1009-F1099 HydrophobicContact CG1-CE2 4.36Å; P1011-F1099 HydrophobicContact CG-CB 4.31Å; P1011-F1099 HydrophobicContact CG-CD1 3.62Å; P1011-F1099 HydrophobicContact CG-CD2 3.97Å; P1011-F1099 HydrophobicContact CG-CE1 3.79Å; P1011-F1099 HydrophobicContact CG-CE2 4.13Å; P1011-F1099 HydrophobicContact CG-CG 3.7Å; P1011-F1099 HydrophobicContact CG-CZ 4.05Å; C1015-F1099 HydrophobicContact CB-CB 4.39Å; C1015-F1099 HydrophobicContact CB-CD1 4.26Å; K1016-F1099 WeakPolarHBondContact O-CA 3.45Å; R1017-F1099 HydrophobicContact CB-CD1 4.05Å; R1017-F1099 HydrophobicContact CB-CE1 3.73Å; R1017-F1099 HydrophobicContact CB-CZ 4.25Å; R1017-F1099 HydrophobicContact CG-CE1 4.31Å; R1017-F1099 HydrophobicContact CG-CZ 4.36Å; F1043-F1099 HydrophobicContact CB-CZ 4.26Å; L1097-F1099 HydrophobicContact CB-CE2 4.27Å; L1097-F1099 HydrophobicContact CD1-CE2 4.47Å
1100	S	93.1	Very high	71.7	Confident	47 Å²	47	76.8 Å²	76.8	33%	0.329	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122.8	172.7	-68.7	0	0	0	0	109.3	N943 C1015 K1016	N943-S1100 PolarHBondContact ND2-OG 2.75Å; C1015-S1100 WeakPolarHBondContact CA-O 3.03Å; K1016-S1100 PolarHBondContact N-O 2.99Å; K1016-S1100 PolarHBondContact O-N 3.31Å
1101	C	90.4	Very high	69.5	Low	13 Å²	13	80.4 Å²	80.4	9%	0.088	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.5	-172.4	-52.3	0	0	0	0	111.2	N943 I948 C1015	N943-C1101 PolarHBondContact O-N 2.72Å; I948-C1101 HydrophobicContact CD1-CB 3.43Å; I948-C1101 VanDerWaalsContact CD1-CB 3.43Å; I948-C1101 WeakPolarHBondContact CD1-SG 3.41Å; C1015-C1101 HydrophobicContact CB-CB 4.03Å; C1015-C1101 WeakPolarHBondContact CB-SG 3.16Å; C1015-C1101 WeakPolarHBondContact SG-CB 3.35Å; C1015-C1101 CovalentContact SG-SG 2.02Å; C1015-C1101 PolarHBondContact SG-SG 3.11Å
1102	G	79.6	Confident	67.5	Low	48 Å²	48	88.3 Å²	88.3	50%	0.495	45%	0.453	S	S	.	.			trans	-90.7	158	176.7	0	0	0	0	0	113	S1014 R1104	S1014-G1102 PolarHBondContact O-N 3Å; G1102-R1104 PolarHBondContact O-N 3.12Å
1103	D	61.2	Low	65.4	Low	110 Å²	110	90.9 Å²	90.9	59%	0.588	46%	0.462	S	S	*	.			trans	-65.1	130.3	171	-70.4	-29.1	0	0	0	110.1	P945 H946 E1105	P945-D1103 WeakPolarHBondContact CG-OD1 3.17Å; H946-D1103 IonicContact CD2-OD1 3.51Å; H946-D1103 IonicContact NE2-OD1 3.65Å; D1103-E1105 PolarHBondContact O-N 1.99Å; D1103-E1105 VanDerWaalsContact O-N 3.13Å
1104	R	46.9	Very low	63	Low	210 Å²	210	89.7 Å²	89.7	79%	0.792	47%	0.468	S	S	*	.			trans	-71.1	104.5	161.6	-84.8	179.9	83.5	170.6	4.7	107.5	G1102 V1106	G1102-R1104 PolarHBondContact O-N 3.12Å; R1104-V1106 PolarHBondContact O-N 3.34Å
1105	E	37.1	Very low	60.6	Low	155 Å²	155	95.5 Å²	95.5	72%	0.724	49%	0.49	S	S	*	.			trans	-60.9	120.8	146.7	-81	-168.8	166.5	0	0	107.6	D1103 T1107	D1103-E1105 PolarHBondContact O-N 1.99Å; D1103-E1105 VanDerWaalsContact O-N 3.13Å; E1105-T1107 HydrophobicContact CB-CG2 4.31Å; E1105-T1107 PolarHBondContact O-N 3.38Å
1106	V	36.8	Very low	58.2	Low	134 Å²	134	101.6 Å²	101.6	81%	0.812	52%	0.517	S	S	*	.			trans	-72.4	72.5	166.7	-176.5	0	0	0	0	107.4	R1104	R1104-V1106 PolarHBondContact O-N 3.34Å
1107	T	37.4	Very low	55.4	Low	103 Å²	103	105.8 Å²	105.8	63%	0.632	55%	0.547	S	S	*	.			trans	-118.6	59.7	173	44.6	0	0	0	0	109.9	E1105	E1105-T1107 HydrophobicContact CB-CG2 4.31Å; E1105-T1107 PolarHBondContact O-N 3.38Å
1108	R	35.9	Very low	52.7	Low	241 Å²	241	110.2 Å²	110.2	91%	0.909	58%	0.577	S	S	*	*			trans	-134.1	83.5	147.1	-83.9	-168.2	173.7	176.9	-1.6	108.1	S1110	R1108-S1110 PolarHBondContact O-N 3.47Å
1109	Q	33.6	Very low	50.1	Low	176 Å²	176	118 Å²	118	82%	0.822	61%	0.612	S	S	*	*			trans	-54.5	122.6	155.1	-81.8	178.6	-24.8	0	0	107.4	I1111	Q1109-I1111 PolarHBondContact O-N 2.76Å
1110	S	37	Very low	47.2	Very low	65 Å²	65	122.6 Å²	122.6	46%	0.455	65%	0.645	S	S	.	*			trans	-55.9	128.7	170.8	167.8	0	0	0	0	109.5	R1108 F1112 Q1113	R1108-S1110 PolarHBondContact O-N 3.47Å; S1110-F1112 PolarHBondContact O-N 3.12Å; S1110-F1112 WeakPolarHBondContact OG-CB 3.26Å; S1110-F1112 PolarHBondContact OG-N 3.03Å; S1110-Q1113 PolarHBondContact O-N 3.3Å
1111	I	43.2	Very low	44.5	Very low	146 Å²	146	129.4 Å²	129.4	75%	0.749	67%	0.671	S	S	*	*	H	α-helix	trans	-55.9	-21	174.7	-67.6	168.5	0	0	0	111.3	Q1109 Q1113	Q1109-I1111 PolarHBondContact O-N 2.76Å; I1111-Q1113 VanDerWaalsContact C-N 3.34Å; I1111-Q1113 PolarHBondContact O-N 2.78Å
1112	F	44.1	Very low	41.9	Very low	169 Å²	169	136.2 Å²	136.2	74%	0.741	71%	0.705	S	S	*	*	H	α-helix	trans	-70	-25.8	173.6	-104.6	-94	0	0	0	114.1	S1110	S1110-F1112 PolarHBondContact O-N 3.12Å; S1110-F1112 WeakPolarHBondContact OG-CB 3.26Å; S1110-F1112 PolarHBondContact OG-N 3.03Å
1113	Q	44.2	Very low	39.8	Very low	137 Å²	137	140 Å²	140	64%	0.64	72%	0.718	S	S	*	*	H	α-helix	trans	-87	-18.4	-179.4	-134.1	168.1	2.6	0	0	112.6	S1110 I1111	S1110-Q1113 PolarHBondContact O-N 3.3Å; I1111-Q1113 VanDerWaalsContact C-N 3.34Å; I1111-Q1113 PolarHBondContact O-N 2.78Å
1114	A	39.5	Very low	38.3	Very low	66 Å²	66	141.4 Å²	141.4	55%	0.545	73%	0.731	S	S	.	*	H	α-helix	trans	-79.8	-21.7	173.4	0	0	0	0	0	113.4	S1117	A1114-S1117 PolarHBondContact O-OG 3.32Å
1115	M	39.6	Very low	37.4	Very low	146 Å²	146	136.7 Å²	136.7	72%	0.719	73%	0.73	S	S	*	*	H	α-helix	trans	-89.4	-16.7	175.7	-74.9	-131.8	-74.6	0	0	114.1
1116	Q	42.9	Very low	37.1	Very low	151 Å²	151	136 Å²	136	71%	0.706	74%	0.736	S	S	*	*	H	α-helix	trans	-87.5	-16.2	175.8	-88.6	177.8	-19.5	0	0	113.9
1117	S	36.6	Very low	36.8	Very low	90 Å²	90	133.8 Å²	133.8	63%	0.629	73%	0.732	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	0	178.1	57.2	0	0	0	0	114.8	A1114	A1114-S1117 PolarHBondContact O-OG 3.32Å
1118	S	38.3	Very low	36.5	Very low	92 Å²	92	140.8 Å²	140.8	64%	0.643	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109	10.9	179.7	64.6	0	0	0	0	114.9
1119	Q	39	Very low	36.1	Very low	179 Å²	179	133 Å²	133	84%	0.836	74%	0.741	S	S	*	*	S	Bend	trans	-126.1	8.1	178.7	-81.1	-170.5	-17.1	0	0	115.8
1120	S	34.6	Very low	35.9	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	74%	0.739	S	S	*	*	S	Bend	trans	-111.9	26.4	178	63.2	0	0	0	0	114.4
1121	Q	36.4	Very low	35.5	Very low	190 Å²	190	134.6 Å²	134.6	89%	0.888	75%	0.751	S	S	*	*	S	Bend	trans	-120.5	43.2	173.6	-90.1	-165.5	-19.8	0	0	112.9
1122	I	37.1	Very low	34.8	Very low	156 Å²	156	137.5 Å²	137.5	80%	0.8	75%	0.752	S	S	*	*	S	Bend	trans	-142.6	136.6	155.7	-54.6	-179.8	0	0	0	105.8
1123	V	33.9	Very low	34.2	Very low	128 Å²	128	137.7 Å²	137.7	78%	0.776	75%	0.753	S	S	*	*	S	Bend	trans	87.6	80	-178.1	-160.4	0	0	0	0	115
1124	T	30.4	Very low	33.6	Very low	139 Å²	139	136.9 Å²	136.9	85%	0.853	76%	0.757	S	S	*	*				-178.4	82.6	110.4	36.4	0	0	0	0	108.8
1125	S	28.3	Very low	33.2	Very low	111 Å²	111	143.3 Å²	143.3	78%	0.776	77%	0.767	S	S	*	*			trans	-82.6	154	149.2	52.6	0	0	0	0	108.7
1126	V	30.7	Very low	32.8	Very low	141 Å²	141	145.3 Å²	145.3	86%	0.855	77%	0.767	S	S	*	*			trans	99.5	87.1	172.4	-166.7	0	0	0	0	114.4
1127	A	30.5	Very low	32.2	Very low	87 Å²	87	148.5 Å²	148.5	72%	0.719	77%	0.772	S	S	*	*				175	121.8	105.9	0	0	0	0	0	111.8
1128	R	30.1	Very low	31.9	Very low	249 Å²	249	152.3 Å²	152.3	94%	0.94	78%	0.78	S	S	*	*			trans	36.3	114.2	142.2	-67.5	174	170.4	166	-3.9	117
1129	G	27.4	Very low	31.5	Very low	77 Å²	77	159.1 Å²	159.1	79%	0.794	79%	0.792	S	S	*	*			cis	92.1	104.6	46.2	0	0	0	0	0	109.7
1130	D	29.3	Very low	31.1	Very low	145 Å²	145	154.6 Å²	154.6	78%	0.775	79%	0.785	S	S	*	*				-178.9	137.2	114.2	-134.9	-17.1	0	0	0	113.3
1131	N	29.1	Very low	30.9	Very low	131 Å²	131	156.9 Å²	156.9	70%	0.701	79%	0.79	S	S	*	*			trans	12.3	138.8	150.1	-80.2	-47.9	0	0	0	120.8
1132	R	29.9	Very low	30.7	Very low	207 Å²	207	153.1 Å²	153.1	78%	0.781	78%	0.78	S	S	*	*				-177.7	137.2	57.4	-128.7	164.2	-171.9	-168.2	3.4	111.2
1133	K	31.5	Very low	30.4	Very low	173 Å²	173	152.3 Å²	152.3	75%	0.752	78%	0.776	S	S	*	*			trans	44.3	135.7	135.9	-63.5	-177.7	-176.9	-179.3	0	119.2
1134	T	30.9	Very low	30.2	Very low	119 Å²	119	156.1 Å²	156.1	73%	0.73	78%	0.777	S	S	*	*			cis	-175.2	136.2	35.3	-8.1	0	0	0	0	112.2
1135	R	31.3	Very low	30.2	Very low	201 Å²	201	159.4 Å²	159.4	76%	0.758	77%	0.774	S	S	*	*			trans	55	122.9	134.9	-84	-176.9	158.1	176.1	-3.9	125.1
1136	R	31	Very low	30.4	Very low	189 Å²	189	159.4 Å²	159.4	71%	0.713	77%	0.773	S	S	*	*				80.4	117.3	126.9	-79.2	-178.3	166.3	178.7	-6.2	119.1
1137	R	29.1	Very low	30.4	Very low	218 Å²	218	156 Å²	156	82%	0.823	77%	0.767	S	S	*	*				64.8	122.8	81.2	-99.1	-172.5	178.3	-175.2	1.2	111.3
1138	Q	31.5	Very low	30.5	Very low	169 Å²	169	161.3 Å²	161.3	79%	0.79	77%	0.774	S	S	*	*				-167.5	143.8	54.7	-98.1	155.7	-37.8	0	0	109.3
1139	R	29.5	Very low	30.6	Very low	236 Å²	236	160.6 Å²	160.6	89%	0.891	77%	0.771	S	S	*	*				42.8	110.3	95.1	-90.3	-173.1	175.8	-176.7	-1.2	114.5
1140	A	31.7	Very low	30.8	Very low	84 Å²	84	162.2 Å²	162.2	69%	0.694	77%	0.77	S	S	*	*				92.4	132.6	76.6	0	0	0	0	0	113.5
1141	N	30.3	Very low	30.8	Very low	145 Å²	145	159.4 Å²	159.4	78%	0.775	77%	0.767	S	S	*	*			trans	135	108	152.5	-84	3.6	0	0	0	112.4
1142	T	31.1	Very low	31.1	Very low	111 Å²	111	164.7 Å²	164.7	68%	0.681	78%	0.777	S	S	*	*				74.5	137.5	83	59.2	0	0	0	0	116
1143	L	30.7	Very low	31.4	Very low	139 Å²	139	162.2 Å²	162.2	73%	0.728	78%	0.779	S	S	*	*			trans	102.3	105.3	146.8	-75.5	148	0	0	0	120
1144	R	30.5	Very low	32.4	Very low	207 Å²	207	159 Å²	159	78%	0.781	78%	0.776	S	S	*	*				72.7	122.6	113.5	-109.2	-174	179.9	170.1	-3.6	120.8
1145	R	30.9	Very low	32.6	Very low	209 Å²	209	159.6 Å²	159.6	79%	0.789	78%	0.78	S	S	*	*				101.5	122.6	122	-122.9	-177.1	-178.1	-170.5	-1.3	118.4
1146	S	31.9	Very low	32.7	Very low	110 Å²	110	154 Å²	154	77%	0.769	79%	0.785	S	S	*	*			trans	43.2	135.5	140	65.6	0	0	0	0	119.2
1147	G	31.1	Very low	32.8	Very low	70 Å²	70	148.6 Å²	148.6	72%	0.722	79%	0.788	S	S	*	*			cis	158.1	162.1	9.5	0	0	0	0	0	108.9
1148	K	32.9	Very low	33.2	Very low	199 Å²	199	148.1 Å²	148.1	87%	0.865	79%	0.792	S	S	*	*			trans	68.8	132.2	160.4	-83.9	-178.2	176.9	175.1	0	121.1
1149	R	31.2	Very low	33.4	Very low	234 Å²	234	155.4 Å²	155.4	88%	0.883	81%	0.812	S	S	*	*			trans	90.6	105	142.6	-83.7	-178.4	176.1	178.4	-1.3	119.1
1150	S	30.9	Very low	33.6	Very low	111 Å²	111	151.4 Å²	151.4	78%	0.776	81%	0.808	S	S	*	*				116.9	120.9	102	-166	0	0	0	0	117.4
1151	A	30.9	Very low	33.7	Very low	85 Å²	85	154.9 Å²	154.9	70%	0.702	81%	0.814	S	S	*	*			trans	82.8	130.8	138.6	0	0	0	0	0	122
1152	R	33.4	Very low	33.8	Very low	243 Å²	243	155.5 Å²	155.5	92%	0.917	82%	0.816	S	S	*	*			trans	81.9	103	146.2	-84.6	178.4	169.9	170.6	-3.8	119.2
1153	N	37.7	Very low	34	Very low	154 Å²	154	158.1 Å²	158.1	82%	0.824	82%	0.824	S	S	*	*			trans	-12.8	150.5	130.5	-93.4	1	0	0	0	115.4
1154	P	51.9	Low	34.2	Very low	105 Å²	105	159.3 Å²	159.3	68%	0.682	83%	0.83	S	S	*	*				-149.9	170.5	56	40	-19.3	0	0	0	117.7
1155	T	36.2	Very low	34.5	Very low	132 Å²	132	156.1 Å²	156.1	81%	0.81	83%	0.833	S	S	*	*			trans	39.9	120.8	142.3	58.3	0	0	0	0	117.9
1156	G	32.9	Very low	34.7	Very low	84 Å²	84	152.4 Å²	152.4	87%	0.866	84%	0.837	S	S	*	*				119.9	136.1	51.3	0	0	0	0	0	107.9
1157	G	31.9	Very low	34.9	Very low	75 Å²	75	155.6 Å²	155.6	77%	0.773	84%	0.842	S	S	*	*			trans	147.1	86.2	169.8	0	0	0	0	0	116.7
1158	K	37.5	Very low	35.2	Very low	208 Å²	208	162.8 Å²	162.8	90%	0.904	85%	0.852	S	S	*	*			trans	49.3	107.1	138.9	-61.1	-177.8	177.9	-179.6	0	119.1
1159	R	35.4	Very low	35.5	Very low	323 Å²	323	159.5 Å²	159.5	100%	1.219	85%	0.851	S	S	*	*				-159.5	0	98.5	-109.6	-176.9	-176.3	-174.8	1.4	110.6

Retrieved 1,159 of 1,159 residues in 544 ms (Link to these results)

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