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Cadherin domain-containing protein

A component of desmosome cell-cell junctions which are required for positive regulation of cellular adhesion. Involved in the interaction of plaque proteins and intermediate filaments mediating cell-cell adhesion.

AlphaFold DB , UniProt , Accession A0A060Y398, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 922 aa.

						>A0A060Y398_ONCMY|A0A060Y398
MAPGVFCVSLLTVIIAQSECCVPHSIQAQVPVEVRPGYVISQVPVTGCHIQGQWLTSSDPHFAMRSDGTIVTVDVTTVTAEGRSFWVRGRDGGGRRWRMEVHLSPDLEQEHIQVPMRVPFNVPAHKGVQRGPSEVLRRSKRRWSPLPFSIIEQDIPPFPKDVELVGSDSSVNFTVYYIISGSGVTMPPEKLFSVDRDTGMVRVHYPVDREQYPKFVFTAQVFDRRSGKETDRPLDITVLVEDINDNAPTFSGPLTFSVLEQCKPGTEVGEVKSTDKDEADTPHTKIRYTLLTGGQFFTIGSHSGLITAKTSTLDRETQVVNAVTVEIRDMDGAKNGLFNTATATITLLDINDNPPTFRETTYKATVKENQADMLVLRIPVDDKDEEKTPNWNARFVITQGNENGNFRIDTDPETNEGLLYVVKPLDYEKGKTVKLMISAQNEAPLVGMAGTWLSIPVDVSVGDEDEGPEFTPPNMVIRVKENTPNGTLLSTYTALDPETKSSKGIKYYTKFDPGSWIAVGETTGELRVANTIDLESPLVTNGAYTITIKAVDESRKSGNGNITLLIEDVNDNVPMIVPGTYLTLCEGEDGQMGSVTIEAEDADLSPYARPFNFMLPEGHDGKWRLRDIQNGSAVLEQVVEMARGVYTVPVHVTDLQNKGGVQVLSLRVCQCLGGECVAKRSSVSVGIWGVLAMLLAFLLLLLLCLLFVFYCTTKGEKIYMEDCSGGMLLKSNTEAPGDEVKSAALLIVPSTGVAVDTVDGSVKGAGLVGLLDQNGAGCPAPGPPLIGQKTINLNRESSRRDFLTAQGQSSFYSTGQYGGGNFYTDTTFLKQSQASSTLSALHTWKTNGLYLGKKLVYFADESEERYADDVARAYGYEGEGSPAGSVGCCSDFGDQDNLDFLESLGSKFKTLANICMDKEEEI
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.3	Very low	32.5	Very low	253 Å²	253	141 Å²	141	100%	1.246	84%	0.843	S	S	*	*				0	157.4	0	-63.8	172.4	-176.2	0	0	108.2
2	A	31.5	Very low	32.3	Very low	96 Å²	96	140.9 Å²	140.9	79%	0.793	84%	0.844	S	S	*	*			trans	-151.4	171.6	177.9	0	0	0	0	0	108.1
3	P	46.6	Very low	32.5	Very low	128 Å²	128	139 Å²	139	83%	0.831	83%	0.833	S	S	*	*			cis	-109.9	178	-6.3	38.7	-24.5	0	0	0	111.8
4	G	32.4	Very low	32.6	Very low	69 Å²	69	140.5 Å²	140.5	71%	0.711	83%	0.832	S	S	*	*				124.1	160.7	68.5	0	0	0	0	0	108.6
5	V	32.9	Very low	32.8	Very low	142 Å²	142	139.3 Å²	139.3	86%	0.861	82%	0.818	S	S	*	*			cis	-148.7	164.3	3.7	175.9	0	0	0	0	109.4
6	F	29.1	Very low	33.5	Very low	191 Å²	191	137 Å²	137	84%	0.838	82%	0.82	S	S	*	*			trans	-56.7	154.7	-179.7	-84.7	-116.2	0	0	0	117.5
7	C	28.3	Very low	33.8	Very low	122 Å²	122	138.4 Å²	138.4	82%	0.824	82%	0.816	S	S	*	*				-171.2	121	110.6	-110.9	0	0	0	0	117.2
8	V	31.3	Very low	34.7	Very low	122 Å²	122	135.4 Å²	135.4	74%	0.739	80%	0.804	S	S	*	*			trans	39.3	113	143	-167.9	0	0	0	0	122.5
9	S	28.8	Very low	35.6	Very low	104 Å²	104	135.4 Å²	135.4	73%	0.727	80%	0.795	S	S	*	*			trans	4.1	135.5	137.8	-40.3	0	0	0	0	122.5
10	L	28.6	Very low	36.7	Very low	177 Å²	177	130.2 Å²	130.2	93%	0.927	77%	0.766	S	S	*	*				-161.2	169.7	101.3	-140.1	74.9	0	0	0	112.3
11	L	30.6	Very low	37.6	Very low	147 Å²	147	128.5 Å²	128.5	77%	0.77	76%	0.76	S	S	*	*			trans	-110.6	145.6	-177.8	-156.8	92.4	0	0	0	110.3
12	T	29.8	Very low	38.9	Very low	140 Å²	140	118 Å²	118	86%	0.859	71%	0.71	S	S	*	*				172.9	165.6	127.1	30.4	0	0	0	0	113.6
13	V	35.7	Very low	40.6	Very low	116 Å²	116	116.2 Å²	116.2	70%	0.703	69%	0.69	S	S	*	*			trans	-105.5	137.2	-172.3	168.9	0	0	0	0	111.5	I15	V13-I15 HydrophobicContact CG1-CD1 4.46Å; V13-I15 HydrophobicContact CG1-CG1 4.08Å
14	I	33.4	Very low	41.5	Very low	160 Å²	160	117.7 Å²	117.7	82%	0.821	69%	0.686	S	S	*	*			trans	-144	110.5	160.4	-66.6	-174.8	0	0	0	105.4
15	I	35.2	Very low	43.9	Very low	122 Å²	122	117.8 Å²	117.8	63%	0.626	68%	0.676	S	S	*	*				68.1	114.3	59.1	-59.6	171.5	0	0	0	112.3	V13	V13-I15 HydrophobicContact CG1-CD1 4.46Å; V13-I15 HydrophobicContact CG1-CG1 4.08Å
16	A	44.7	Very low	46.1	Very low	103 Å²	103	112.9 Å²	112.9	85%	0.851	64%	0.644	S	S	*	*			trans	-70.6	135.2	172.7	0	0	0	0	0	110.6
17	Q	39.2	Very low	48.5	Very low	160 Å²	160	111.4 Å²	111.4	75%	0.748	64%	0.64	S	S	*	*			trans	-128.1	159	172	-76.6	-166.2	-20.9	0	0	111.3
18	S	48.9	Very low	50.8	Low	86 Å²	86	106.4 Å²	106.4	60%	0.601	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-61.1	150.8	-172.1	50.8	0	0	0	0	114.6
19	E	52.1	Low	53	Low	134 Å²	134	107.2 Å²	107.2	63%	0.626	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-73.9	141.3	170.1	-50.6	-155.7	119.7	0	0	111.3	R95	E19-R95 IonicContact OE1-CZ 3.89Å; E19-R95 IonicContact OE1-NH1 2.85Å; E19-R95 PolarHBondContact OE1-NH1 2.89Å; E19-R95 IonicContact OE1-NH2 2.64Å; E19-R95 PolarHBondContact OE1-NH2 3.2Å
20	C	57.8	Low	55.3	Low	31 Å²	31	102.4 Å²	102.4	21%	0.209	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-91.3	129.2	-178.8	167	0	0	0	0	111.3	C48	C20-C48 HydrophobicContact CB-CB 3.93Å; C20-C48 WeakPolarHBondContact CB-SG 3.48Å; C20-C48 WeakPolarHBondContact SG-CB 3.42Å; C20-C48 CovalentContact SG-SG 2.04Å; C20-C48 PolarHBondContact SG-SG 3.34Å
21	C	55.3	Low	57.6	Low	96 Å²	96	96.5 Å²	96.5	65%	0.649	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-103.8	128.7	177.1	-73	0	0	0	0	110.8
22	V	65.9	Low	59.7	Low	33 Å²	33	92.6 Å²	92.6	20%	0.2	52%	0.524	C	S	.	.			trans	-135.2	133.8	176.1	-169.7	0	0	0	0	108.3	V43 V45 W97	V22-V43 HydrophobicContact CG1-CG1 4.47Å; V22-V45 HydrophobicContact CG2-CG1 3.66Å; V22-W97 HydrophobicContact CG1-CD2 4.39Å; V22-W97 HydrophobicContact CG1-CE3 4.1Å; V22-W97 HydrophobicContact CG1-CZ3 4.37Å; V22-W97 HydrophobicContact CG2-CD2 4.16Å; V22-W97 HydrophobicContact CG2-CG 4.12Å
23	P	65.7	Low	62	Low	58 Å²	58	91 Å²	91	38%	0.377	51%	0.507	S	S	.	.			trans	-64	151.1	177.4	26.3	-34.3	0	0	0	112	V43 M99	P23-V43 HydrophobicContact CG-CG1 3.62Å; P23-M99 HydrophobicContact CG-SD 4.08Å; P23-M99 WeakPolarHBondContact O-CB 3.45Å; P23-M99 WeakPolarHBondContact O-CG 3.48Å
24	H	66.8	Low	64	Low	158 Å²	158	85.6 Å²	85.6	73%	0.731	47%	0.474	S	S	*	.	S	Bend	trans	-79	-28.3	-176.2	-116.6	62.1	0	0	0	113.9	M99 E100	H24-M99 CarbonylContact O-C 3.58Å; H24-M99 WeakPolarHBondContact O-CA 3.47Å; H24-E100 PolarHBondContact O-N 2.88Å
25	S	81	Confident	65.9	Low	72 Å²	72	86.7 Å²	86.7	50%	0.503	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.7	179.3	57.7	0	0	0	0	112.3	E100	S25-E100 CarbonylContact C-O 3.54Å; S25-E100 WeakPolarHBondContact CA-O 3.49Å
26	I	81.1	Confident	67.9	Low	39 Å²	39	84.3 Å²	84.3	20%	0.2	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.1	174.5	-166.4	162.8	0	0	0	110.6	S41 V43 M99 E100 V101 H102	I26-S41 VanDerWaalsContact CD1-OG 3.29Å; I26-S41 WeakPolarHBondContact CD1-OG 3.41Å; I26-V43 HydrophobicContact CD1-CG2 4.14Å; I26-M99 HydrophobicContact CG2-SD 4.48Å; I26-E100 PolarHBondContact N-O 2.86Å; I26-V101 HydrophobicContact CG2-CB 4.3Å; I26-V101 HydrophobicContact CG2-CG1 4.17Å; I26-V101 HydrophobicContact CG2-CG2 3.96Å; I26-H102 PolarHBondContact O-N 2.89Å
27	Q	79.3	Confident	69.2	Low	159 Å²	159	81.3 Å²	81.3	74%	0.743	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.2	175.8	-55.5	-168.5	-37.8	0	0	109.4	H102	Q27-H102 CarbonylContact C-O 3.55Å; Q27-H102 VanDerWaalsContact CA-O 3.32Å; Q27-H102 WeakPolarHBondContact CA-O 3.27Å; Q27-H102 HydrophobicContact CG-CB 4.21Å
28	A	75.6	Confident	71.2	Confident	18 Å²	18	78.3 Å²	78.3	15%	0.149	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	147.6	-179.9	0	0	0	0	0	111.6	I40 H102 L103 S104	A28-I40 HydrophobicContact CB-CG2 3.83Å; A28-H102 PolarHBondContact N-O 2.81Å; A28-L103 HydrophobicContact CB-CD2 4.19Å; A28-L103 WeakPolarHBondContact O-CA 3.29Å; A28-S104 PolarHBondContact O-N 3.23Å
29	Q	78.5	Confident	72.8	Confident	139 Å²	139	77.9 Å²	77.9	65%	0.65	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.5	169.5	-72.1	174.1	-79.7	0	0	109.7	S104	Q29-S104 WeakPolarHBondContact CA-O 3.37Å; Q29-S104 WeakPolarHBondContact CG-OG 3.29Å
30	V	77.3	Confident	74.3	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.012	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	158.9	-179.8	-62.3	0	0	0	0	110.6	V34 Y38 I40 V78 L103 S104 P105 D106	V30-V34 HydrophobicContact CB-CG2 4.11Å; V30-V34 HydrophobicContact CG2-CG2 3.93Å; V30-Y38 HydrophobicContact CB-CE1 4.46Å; V30-Y38 HydrophobicContact CG1-CE1 4.01Å; V30-I40 HydrophobicContact CG1-CG1 4.35Å; V30-V78 HydrophobicContact CG2-CB 4.15Å; V30-V78 HydrophobicContact CG2-CG1 4.41Å; V30-V78 HydrophobicContact CG2-CG2 3.67Å; V30-L103 HydrophobicContact CG1-CD2 4.39Å; V30-L103 HydrophobicContact CG2-CB 4.23Å; V30-L103 HydrophobicContact CG2-CD1 4.3Å; V30-S104 PolarHBondContact N-O 3.3Å; V30-P105 CarbonylContact O-C 3.34Å; V30-P105 VanDerWaalsContact O-CA 3.24Å; V30-P105 WeakPolarHBondContact O-CA 3.3Å; V30-D106 PolarHBondContact O-N 3.14Å
31	P	75.3	Confident	75.2	Confident	54 Å²	54	72.5 Å²	72.5	35%	0.351	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	158.5	173.6	-24.4	35.1	0	0	0	113.3	E33 V34 Y38	P31-E33 PolarHBondContact O-N 2.84Å; P31-V34 WeakPolarHBondContact O-CG2 3.44Å; P31-Y38 WeakPolarHBondContact CD-OH 3.38Å; P31-Y38 HydrophobicContact CG-CE2 4.47Å
32	V	74.8	Confident	76.3	Confident	65 Å²	65	73.9 Å²	73.9	39%	0.394	39%	0.388	S	S	.	.	S	Bend	trans	-57.7	-35.5	178.2	179.6	0	0	0	0	112.4	T77 V78 P105 D106 L107	V32-T77 CarbonylContact O-C 3.52Å; V32-T77 WeakPolarHBondContact O-CA 3.42Å; V32-T77 VanDerWaalsContact O-CB 3.24Å; V32-T77 WeakPolarHBondContact O-CB 3.27Å; V32-T77 WeakPolarHBondContact O-CG2 3.26Å; V32-V78 PolarHBondContact O-N 2.96Å; V32-P105 HydrophobicContact CG2-CB 4.13Å; V32-D106 WeakPolarHBondContact CG2-O 3.42Å; V32-L107 HydrophobicContact CG2-CD2 3.85Å
33	E	78.4	Confident	76.6	Confident	106 Å²	106	72.4 Å²	72.4	50%	0.495	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.3	169.7	-169.9	-170.9	145.5	0	0	110.4	P31 V75 T77	P31-E33 PolarHBondContact O-N 2.84Å; E33-V75 HydrophobicContact CG-CG1 3.99Å; E33-V75 VanDerWaalsContact OE1-CG1 3.27Å; E33-V75 WeakPolarHBondContact OE1-CG1 3.44Å; E33-T77 HydrophobicContact CB-CG2 4.08Å; E33-T77 HydrophobicContact CG-CG2 4.05Å
34	V	77.3	Confident	76.4	Confident	2 Å²	2	74.3 Å²	74.3	1%	0.012	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.4	-176.5	-156.2	0	0	0	0	109.5	V30 P31 Y38 T72 V75 T76 V78	V30-V34 HydrophobicContact CB-CG2 4.11Å; V30-V34 HydrophobicContact CG2-CG2 3.93Å; P31-V34 WeakPolarHBondContact O-CG2 3.44Å; V34-Y38 HydrophobicContact CG1-CD1 3.51Å; V34-Y38 HydrophobicContact CG1-CD2 4.2Å; V34-Y38 HydrophobicContact CG1-CE1 4.21Å; V34-Y38 HydrophobicContact CG1-CG 3.51Å; V34-T72 HydrophobicContact CB-CG2 3.97Å; V34-T72 HydrophobicContact CG1-CG2 3.59Å; V34-V75 WeakPolarHBondContact O-CA 3.05Å; V34-T76 PolarHBondContact N-O 3.35Å; V34-T76 PolarHBondContact O-N 3.48Å; V34-V78 HydrophobicContact CG2-CG2 4.27Å
35	R	74.4	Confident	76.2	Confident	183 Å²	183	67.8 Å²	67.8	69%	0.691	36%	0.363	S	S	*	.			trans	-81.8	158	-178.6	-65	-175.9	-178.3	175.8	4.6	111.9	Y38 T72	R35-Y38 WeakPolarHBondContact O-CB 3.46Å; R35-Y38 PolarHBondContact O-N 3Å; R35-T72 WeakPolarHBondContact O-CB 3.48Å; R35-T72 PolarHBondContact O-OG1 3.35Å
36	P	77.3	Confident	75	Confident	72 Å²	72	69.6 Å²	69.6	47%	0.468	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	140.9	175.7	-29.2	34.5	0	0	0	114	Y38 V73 V75	P36-Y38 VanDerWaalsContact C-N 3.28Å; P36-Y38 PolarHBondContact O-N 3.12Å; P36-V73 WeakPolarHBondContact CB-O 3.06Å; P36-V75 HydrophobicContact CG-CG2 4.14Å
37	G	71.3	Confident	73.8	Confident	41 Å²	41	70.3 Å²	70.3	42%	0.423	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-2.9	177.6	0	0	0	0	0	115.7	V39 T72	G37-V39 PolarHBondContact O-N 2.98Å; G37-T72 PolarHBondContact N-O 2.97Å; G37-T72 PolarHBondContact N-OG1 3.33Å; G37-T72 VanDerWaalsContact N-OG1 3.1Å
38	Y	81.1	Confident	72.8	Confident	97 Å²	97	63.6 Å²	63.6	38%	0.38	36%	0.358	S	S	.	.			trans	-62.8	130.9	172.1	-172	-85.2	0	0	0	110.3	V30 P31 V34 R35 P36 I40 V71 T72	V30-Y38 HydrophobicContact CB-CE1 4.46Å; V30-Y38 HydrophobicContact CG1-CE1 4.01Å; P31-Y38 WeakPolarHBondContact CD-OH 3.38Å; P31-Y38 HydrophobicContact CG-CE2 4.47Å; V34-Y38 HydrophobicContact CG1-CD1 3.51Å; V34-Y38 HydrophobicContact CG1-CD2 4.2Å; V34-Y38 HydrophobicContact CG1-CE1 4.21Å; V34-Y38 HydrophobicContact CG1-CG 3.51Å; R35-Y38 WeakPolarHBondContact O-CB 3.46Å; R35-Y38 PolarHBondContact O-N 3Å; P36-Y38 VanDerWaalsContact C-N 3.28Å; P36-Y38 PolarHBondContact O-N 3.12Å; Y38-I40 HydrophobicContact CD1-CG1 4.4Å; Y38-V71 VanDerWaalsContact O-CA 3.24Å; Y38-V71 WeakPolarHBondContact O-CA 3.37Å; Y38-T72 WeakPolarHBondContact CB-OG1 3.44Å; Y38-T72 PolarHBondContact N-OG1 3.36Å; Y38-T72 PolarHBondContact O-N 3.34Å; Y38-T72 PolarHBondContact O-OG1 2.93Å
39	V	82.8	Confident	71.8	Confident	76 Å²	76	69.7 Å²	69.7	46%	0.461	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.8	180	178.3	0	0	0	0	109.4	G37 T69 V71	G37-V39 PolarHBondContact O-N 2.98Å; V39-T69 HydrophobicContact CG1-CG2 3.61Å; V39-T69 HydrophobicContact CG2-CG2 4.19Å; V39-V71 HydrophobicContact CG2-CG1 4.01Å
40	I	82.6	Confident	70.8	Confident	19 Å²	19	64.3 Å²	64.3	10%	0.097	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-49.3	-179.8	-66.6	174.9	0	0	0	110.5	A28 V30 Y38 F62 I70 L103	A28-I40 HydrophobicContact CB-CG2 3.83Å; V30-I40 HydrophobicContact CG1-CG1 4.35Å; Y38-I40 HydrophobicContact CD1-CG1 4.4Å; I40-F62 HydrophobicContact CD1-CD1 3.37Å; I40-F62 HydrophobicContact CD1-CE1 3.54Å; I40-F62 HydrophobicContact CD1-CG 4.33Å; I40-I70 HydrophobicContact CB-CG2 4.44Å; I40-I70 HydrophobicContact CD1-CG2 4.37Å; I40-I70 PolarHBondContact N-O 3.42Å; I40-L103 HydrophobicContact CD1-CD1 4.19Å; I40-L103 HydrophobicContact CD1-CD2 4.23Å; I40-L103 HydrophobicContact CG2-CD2 3.57Å
41	S	78.4	Confident	69.7	Low	34 Å²	34	71.9 Å²	71.9	24%	0.238	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.4	159.9	176.6	-161.4	0	0	0	0	110.4	I26 I70	I26-S41 VanDerWaalsContact CD1-OG 3.29Å; I26-S41 WeakPolarHBondContact CD1-OG 3.41Å; S41-I70 PolarHBondContact O-N 3.03Å
42	Q	76.9	Confident	68.7	Low	124 Å²	124	72 Å²	72	58%	0.579	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.3	173.6	-174.8	174.6	26	0	0	109.4	T69	Q42-T69 WeakPolarHBondContact CG-OG1 3.37Å; Q42-T69 PolarHBondContact NE2-OG1 3.33Å
43	V	73.3	Confident	67.7	Low	2 Å²	2	77 Å²	77	1%	0.012	42%	0.424	C	S	.	.			trans	-107.2	125.4	-176.3	179.1	0	0	0	0	109.7	V22 P23 I26 V45 M64 G68 M99	V22-V43 HydrophobicContact CG1-CG1 4.47Å; P23-V43 HydrophobicContact CG-CG1 3.62Å; I26-V43 HydrophobicContact CD1-CG2 4.14Å; V43-V45 WeakPolarHBondContact O-CG2 3.46Å; V43-V45 PolarHBondContact O-N 3.41Å; V43-V45 VanDerWaalsContact O-N 3.14Å; V43-M64 HydrophobicContact CB-CE 4.2Å; V43-G68 PolarHBondContact N-O 3.38Å; V43-M99 HydrophobicContact CB-CE 4.48Å; V43-M99 HydrophobicContact CB-SD 4.47Å; V43-M99 HydrophobicContact CG1-SD 4.01Å; V43-M99 HydrophobicContact CG2-CE 3.86Å; V43-M99 HydrophobicContact CG2-SD 3.89Å
44	P	61.5	Low	66.7	Low	98 Å²	98	79.5 Å²	79.5	64%	0.636	43%	0.429	S	S	*	.			trans	-72.2	108.1	-178.5	28.1	-33.9	0	0	0	111.1
45	V	62.3	Low	66.4	Low	22 Å²	22	80.9 Å²	80.9	13%	0.133	44%	0.436	C	S	.	.			trans	-100.9	55.7	178.7	-118.1	0	0	0	0	111.7	V22 V43 C48 I50	V22-V45 HydrophobicContact CG2-CG1 3.66Å; V43-V45 WeakPolarHBondContact O-CG2 3.46Å; V43-V45 PolarHBondContact O-N 3.41Å; V43-V45 VanDerWaalsContact O-N 3.14Å; V45-C48 HydrophobicContact CB-CB 4.16Å; V45-C48 HydrophobicContact CG1-CB 4.03Å; V45-C48 WeakPolarHBondContact O-CB 3.48Å; V45-C48 PolarHBondContact O-N 3.08Å; V45-I50 HydrophobicContact CB-CD1 4Å; V45-I50 HydrophobicContact CG1-CD1 3.91Å; V45-I50 HydrophobicContact CG2-CD1 4.11Å
46	T	56	Low	66.3	Low	110 Å²	110	75 Å²	75	68%	0.675	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	136.5	-178.6	43.6	0	0	0	0	112.2	C48	T46-C48 PolarHBondContact O-N 3.17Å
47	G	55.3	Low	66.5	Low	53 Å²	53	73 Å²	73	55%	0.546	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	-4.1	-176.3	0	0	0	0	0	115.5
48	C	57.8	Low	67	Low	18 Å²	18	73.6 Å²	73.6	12%	0.122	41%	0.406	C	S	.	.			trans	-93.9	102.7	-178.1	-117.9	0	0	0	0	111.9	C20 V45 T46 I50	C20-C48 HydrophobicContact CB-CB 3.93Å; C20-C48 WeakPolarHBondContact CB-SG 3.48Å; C20-C48 WeakPolarHBondContact SG-CB 3.42Å; C20-C48 CovalentContact SG-SG 2.04Å; C20-C48 PolarHBondContact SG-SG 3.34Å; V45-C48 HydrophobicContact CB-CB 4.16Å; V45-C48 HydrophobicContact CG1-CB 4.03Å; V45-C48 WeakPolarHBondContact O-CB 3.48Å; V45-C48 PolarHBondContact O-N 3.08Å; T46-C48 PolarHBondContact O-N 3.17Å; C48-I50 HydrophobicContact CB-CD1 4.01Å; C48-I50 HydrophobicContact CB-CG1 3.98Å; C48-I50 PolarHBondContact O-N 2.92Å
49	H	55.8	Low	66.9	Low	147 Å²	147	70 Å²	70	68%	0.681	39%	0.394	S	S	*	.			trans	-72.1	89.4	168.5	-107	-59	0	0	0	110.4	G92	H49-G92 PolarHBondContact O-N 3.16Å
50	I	57.5	Low	66.7	Low	26 Å²	26	71.4 Å²	71.4	13%	0.133	40%	0.404	C	S	.	.			trans	-93	102.1	-178.7	-62	165.3	0	0	0	110	V45 C48 L55 W97	V45-I50 HydrophobicContact CB-CD1 4Å; V45-I50 HydrophobicContact CG1-CD1 3.91Å; V45-I50 HydrophobicContact CG2-CD1 4.11Å; C48-I50 HydrophobicContact CB-CD1 4.01Å; C48-I50 HydrophobicContact CB-CG1 3.98Å; C48-I50 PolarHBondContact O-N 2.92Å; I50-L55 HydrophobicContact CG2-CD1 4.08Å; I50-L55 HydrophobicContact CG2-CD2 4.25Å; I50-L55 HydrophobicContact CG2-CG 4.16Å; I50-W97 HydrophobicContact CD1-CZ2 4.31Å
51	Q	54.1	Low	66.6	Low	160 Å²	160	73.3 Å²	73.3	75%	0.748	41%	0.413	S	S	*	.			trans	-78.2	120.6	163.1	-69.8	-175.5	-11.7	0	0	109	Q53	Q51-Q53 PolarHBondContact O-N 2.97Å
52	G	54.9	Low	66.9	Low	56 Å²	56	71.9 Å²	71.9	58%	0.577	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	8.6	-163.5	0	0	0	0	0	118.5
53	Q	52.2	Low	67.1	Low	171 Å²	171	67.8 Å²	67.8	80%	0.799	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.3	179.8	-73.2	-176	-19.2	0	0	114.7	Q51	Q51-Q53 PolarHBondContact O-N 2.97Å
54	W	59	Low	67.3	Low	158 Å²	158	68.4 Å²	68.4	60%	0.598	39%	0.393	S	S	*	.	S	Bend	trans	-129.5	19.1	-170.1	-60.7	87.6	0	0	0	115.3	R90	W54-R90 HydrophobicContact CB-CB 4.29Å
55	L	70.1	Confident	68	Low	32 Å²	32	69.9 Å²	69.9	17%	0.168	39%	0.385	C	S	.	.			trans	-86.3	131.2	168.5	-66.8	172.5	0	0	0	109.6	I50 M64 W97	I50-L55 HydrophobicContact CG2-CD1 4.08Å; I50-L55 HydrophobicContact CG2-CD2 4.25Å; I50-L55 HydrophobicContact CG2-CG 4.16Å; L55-M64 VanDerWaalsContact CD1-O 3.26Å; L55-M64 WeakPolarHBondContact CD1-O 3.41Å; L55-W97 HydrophobicContact CD2-CH2 3.87Å; L55-W97 HydrophobicContact CD2-CZ2 3.83Å
56	T	71.8	Confident	68.3	Low	58 Å²	58	72.6 Å²	72.6	36%	0.356	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	125.4	176	40.3	0	0	0	0	111.6	R88	T56-R88 PolarHBondContact N-O 3.36Å; T56-R88 PolarHBondContact O-N 3.4Å; T56-R88 VanDerWaalsContact OG1-CG 3.23Å; T56-R88 WeakPolarHBondContact OG1-CG 3.36Å; T56-R88 PolarHBondContact OG1-NE 3.1Å
57	S	81.1	Confident	68.7	Low	31 Å²	31	71.2 Å²	71.2	22%	0.217	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	155.5	165.9	-178.5	0	0	0	0	110.4	D59 F62 F85 W86	S57-D59 WeakPolarHBondContact CB-O 3.34Å; S57-D59 PolarHBondContact OG-N 3Å; S57-D59 PolarHBondContact OG-O 3.36Å; S57-F62 WeakPolarHBondContact CB-O 3.35Å; S57-F62 PolarHBondContact OG-O 3.41Å; S57-F85 WeakPolarHBondContact OG-CD2 3.48Å; S57-W86 CarbonylContact C-O 3.54Å; S57-W86 WeakPolarHBondContact CA-O 3.31Å
58	S	81.7	Confident	69.4	Low	54 Å²	54	68.7 Å²	68.7	38%	0.378	37%	0.368	S	S	.	.	S	Bend	trans	-81.8	-20.1	165.9	67	0	0	0	0	113.6	F85 W86	S58-F85 WeakPolarHBondContact OG-CB 2.97Å; S58-W86 VanDerWaalsContact CB-CE2 3.41Å; S58-W86 PolarHBondContact N-O 3.17Å; S58-W86 PolarHBondContact OG-N 3.15Å; S58-W86 PolarHBondContact OG-O 3.17Å
59	D	78.8	Confident	70.4	Confident	22 Å²	22	68.3 Å²	68.3	12%	0.118	37%	0.365	C	S	.	.	S	Bend	trans	-114.5	115.9	-179.8	-173.9	-31.6	0	0	0	108.3	S57 H61 F62 R83 F85	S57-D59 WeakPolarHBondContact CB-O 3.34Å; S57-D59 PolarHBondContact OG-N 3Å; S57-D59 PolarHBondContact OG-O 3.36Å; D59-H61 PolarHBondContact O-N 3.42Å; D59-H61 IonicContact OD1-CD2 2.64Å; D59-H61 PolarHBondContact OD1-CD2 2.97Å; D59-H61 IonicContact OD1-CG 2.94Å; D59-H61 PolarHBondContact OD1-N 3.28Å; D59-F62 HydrophobicContact CB-CD2 3.97Å; D59-F62 HydrophobicContact CB-CE2 4.49Å; D59-F62 PolarHBondContact O-N 3.42Å; D59-R83 VanDerWaalsContact CG-NH2 3.27Å; D59-R83 IonicContact OD1-NH2 3.99Å; D59-R83 PolarHBondContact OD1-NH2 2.96Å; D59-R83 IonicContact OD2-CZ 3.97Å; D59-R83 IonicContact OD2-NE 2.76Å; D59-R83 PolarHBondContact OD2-NE 3.35Å; D59-R83 IonicContact OD2-NH2 3.69Å; D59-R83 PolarHBondContact OD2-NH2 3.18Å; D59-F85 HydrophobicContact CB-CB 3.65Å; D59-F85 HydrophobicContact CB-CD2 4.28Å; D59-F85 HydrophobicContact CB-CG 3.98Å
60	P	79.4	Confident	71.7	Confident	105 Å²	105	61.3 Å²	61.3	68%	0.682	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.9	-170.1	29.1	-36.1	0	0	0	113.6	F62	P60-F62 PolarHBondContact O-N 2.92Å
61	H	81.1	Confident	73	Confident	58 Å²	58	60.5 Å²	60.5	27%	0.269	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-8.2	178.3	-62.8	-85.6	0	0	0	113.2	D59 T72 V73 T76 R83	D59-H61 PolarHBondContact O-N 3.42Å; D59-H61 IonicContact OD1-CD2 2.64Å; D59-H61 PolarHBondContact OD1-CD2 2.97Å; D59-H61 IonicContact OD1-CG 2.94Å; D59-H61 PolarHBondContact OD1-N 3.28Å; H61-T72 CarbonylContact O-C 3.5Å; H61-T72 WeakPolarHBondContact O-CA 3.42Å; H61-V73 PolarHBondContact O-N 3.28Å; H61-T76 HydrophobicContact CB-CG2 3.86Å; H61-T76 VanDerWaalsContact CG-OG1 3.31Å; H61-T76 PolarHBondContact ND1-OG1 2.93Å; H61-R83 PolarHBondContact CD2-NH2 3.22Å
62	F	83.9	Confident	74.4	Confident	4 Å²	4	53 Å²	53	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.5	-179.7	-49.2	-78.2	0	0	0	111.5	I40 S57 D59 P60 V71 T72 T76 F85 L103	I40-F62 HydrophobicContact CD1-CD1 3.37Å; I40-F62 HydrophobicContact CD1-CE1 3.54Å; I40-F62 HydrophobicContact CD1-CG 4.33Å; S57-F62 WeakPolarHBondContact CB-O 3.35Å; S57-F62 PolarHBondContact OG-O 3.41Å; D59-F62 HydrophobicContact CB-CD2 3.97Å; D59-F62 HydrophobicContact CB-CE2 4.49Å; D59-F62 PolarHBondContact O-N 3.42Å; P60-F62 PolarHBondContact O-N 2.92Å; F62-V71 CarbonylContact C-O 3.55Å; F62-V71 WeakPolarHBondContact CA-O 3.44Å; F62-T72 HydrophobicContact CD1-CG2 3.72Å; F62-T72 HydrophobicContact CE1-CG2 3.61Å; F62-T76 HydrophobicContact CE1-CG2 3.84Å; F62-T76 HydrophobicContact CE2-CG2 4.16Å; F62-T76 HydrophobicContact CZ-CG2 3.45Å; F62-T76 VanDerWaalsContact CZ-CG2 3.45Å; F62-F85 HydrophobicContact CB-CE1 4.35Å; F62-F85 HydrophobicContact CB-CE2 3.72Å; F62-F85 HydrophobicContact CB-CZ 3.6Å; F62-F85 HydrophobicContact CD1-CE1 4.45Å; F62-F85 HydrophobicContact CD1-CZ 4.29Å; F62-F85 AromaticContact CD2-CD1 3.91Å; F62-F85 HydrophobicContact CD2-CD1 3.91Å; F62-F85 HydrophobicContact CD2-CD2 4.45Å; F62-F85 AromaticContact CD2-CE1 3.58Å; F62-F85 HydrophobicContact CD2-CE1 3.58Å; F62-F85 HydrophobicContact CD2-CE2 4.16Å; F62-F85 HydrophobicContact CD2-CG 4.33Å; F62-F85 AromaticContact CD2-CZ 3.72Å; F62-F85 HydrophobicContact CD2-CZ 3.72Å; F62-F85 HydrophobicContact CE2-CD1 4.1Å; F62-F85 AromaticContact CE2-CE1 3.88Å; F62-F85 HydrophobicContact CE2-CE1 3.88Å; F62-F85 HydrophobicContact CE2-CZ 4.44Å; F62-F85 AromaticContact CG-CE1 3.89Å; F62-F85 HydrophobicContact CG-CE1 3.89Å; F62-F85 HydrophobicContact CG-CE2 4.15Å; F62-F85 AromaticContact CG-CZ 3.62Å; F62-F85 HydrophobicContact CG-CZ 3.62Å; F62-F85 HydrophobicContact CZ-CE1 4.42Å; F62-L103 HydrophobicContact CE1-CD1 3.9Å; F62-L103 HydrophobicContact CE2-CD1 4.27Å; F62-L103 HydrophobicContact CZ-CD1 3.59Å
63	A	80.8	Confident	75.7	Confident	38 Å²	38	53.8 Å²	53.8	31%	0.314	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	149.4	176	0	0	0	0	0	111.4	V71 V73	A63-V71 PolarHBondContact N-O 3.48Å; A63-V71 PolarHBondContact O-N 2.91Å; A63-V73 HydrophobicContact CB-CG2 3.45Å; A63-V73 VanDerWaalsContact CB-CG2 3.45Å
64	M	79.1	Confident	76.6	Confident	16 Å²	16	50 Å²	50	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.5	172.6	-170.1	169.5	-178.2	0	0	108.7	V43 L55 T69 I70 V87 W97 M99	V43-M64 HydrophobicContact CB-CE 4.2Å; L55-M64 VanDerWaalsContact CD1-O 3.26Å; L55-M64 WeakPolarHBondContact CD1-O 3.41Å; M64-T69 WeakPolarHBondContact CA-O 3.33Å; M64-I70 HydrophobicContact CB-CG1 4.37Å; M64-I70 HydrophobicContact CG-CG1 4.09Å; M64-I70 HydrophobicContact SD-CG1 4.32Å; M64-V87 HydrophobicContact CB-CG1 3.83Å; M64-V87 HydrophobicContact CG-CG1 4.47Å; M64-V87 HydrophobicContact SD-CB 4.34Å; M64-V87 HydrophobicContact SD-CG1 3.73Å; M64-W97 HydrophobicContact CE-CH2 4.01Å; M64-W97 HydrophobicContact SD-CH2 3.8Å; M64-W97 HydrophobicContact SD-CZ3 4.32Å; M64-M99 HydrophobicContact CE-CE 4.22Å; M64-M99 HydrophobicContact SD-CE 4.26Å
65	R	75.8	Confident	77.4	Confident	128 Å²	128	46.1 Å²	46.1	48%	0.483	27%	0.266	S	S	.	.			trans	-78.8	163.6	174.8	-70.2	176.7	-178	176.3	2.9	110.2	D67 G68 T69 V71	R65-D67 WeakPolarHBondContact CB-OD1 3.27Å; R65-D67 PolarHBondContact O-N 2.94Å; R65-G68 PolarHBondContact O-N 3.03Å; R65-G68 VanDerWaalsContact O-N 3.08Å; R65-T69 PolarHBondContact N-O 2.93Å; R65-V71 HydrophobicContact CG-CG2 4.41Å
66	S	67.1	Low	77.7	Confident	80 Å²	80	45.2 Å²	45.2	56%	0.559	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.6	-176.3	50.4	0	0	0	0	114.9
67	D	65.7	Low	78	Confident	80 Å²	80	46 Å²	46	43%	0.428	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.5	172.4	66.1	-22.4	0	0	0	113.4	R65 T69	R65-D67 WeakPolarHBondContact CB-OD1 3.27Å; R65-D67 PolarHBondContact O-N 2.94Å; D67-T69 WeakPolarHBondContact OD1-CB 3.44Å; D67-T69 PolarHBondContact OD1-N 3.32Å; D67-T69 PolarHBondContact OD1-OG1 3.43Å; D67-T69 WeakPolarHBondContact OD2-CB 3.18Å; D67-T69 PolarHBondContact OD2-OG1 2.95Å
68	G	68.8	Low	77.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.257	C	S	.	.	S	Bend	trans	93.1	4.2	-174.8	0	0	0	0	0	115.3	V43 R65	V43-G68 PolarHBondContact N-O 3.38Å; R65-G68 PolarHBondContact O-N 3.03Å; R65-G68 VanDerWaalsContact O-N 3.08Å
69	T	80.5	Confident	77.1	Confident	10 Å²	10	46.2 Å²	46.2	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.9	-178.8	-55.7	0	0	0	0	111.8	V39 Q42 M64 R65 D67 V71	V39-T69 HydrophobicContact CG1-CG2 3.61Å; V39-T69 HydrophobicContact CG2-CG2 4.19Å; Q42-T69 WeakPolarHBondContact CG-OG1 3.37Å; Q42-T69 PolarHBondContact NE2-OG1 3.33Å; M64-T69 WeakPolarHBondContact CA-O 3.33Å; R65-T69 PolarHBondContact N-O 2.93Å; D67-T69 WeakPolarHBondContact OD1-CB 3.44Å; D67-T69 PolarHBondContact OD1-N 3.32Å; D67-T69 PolarHBondContact OD1-OG1 3.43Å; D67-T69 WeakPolarHBondContact OD2-CB 3.18Å; D67-T69 PolarHBondContact OD2-OG1 2.95Å; T69-V71 HydrophobicContact CG2-CG1 3.98Å
70	I	81.8	Confident	76.3	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	125.3	175.6	-51.7	-179.5	0	0	0	109.4	I40 S41 M64 F85 M99 V101	I40-I70 HydrophobicContact CB-CG2 4.44Å; I40-I70 HydrophobicContact CD1-CG2 4.37Å; I40-I70 PolarHBondContact N-O 3.42Å; S41-I70 PolarHBondContact O-N 3.03Å; M64-I70 HydrophobicContact CB-CG1 4.37Å; M64-I70 HydrophobicContact CG-CG1 4.09Å; M64-I70 HydrophobicContact SD-CG1 4.32Å; I70-F85 HydrophobicContact CG2-CZ 4.24Å; I70-M99 HydrophobicContact CD1-CE 3.79Å; I70-V101 HydrophobicContact CD1-CG2 3.81Å
71	V	85.8	Confident	75.6	Confident	9 Å²	9	53.1 Å²	53.1	6%	0.055	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.7	-178.1	-57.9	0	0	0	0	112.3	Y38 V39 F62 A63 R65 T69	Y38-V71 VanDerWaalsContact O-CA 3.24Å; Y38-V71 WeakPolarHBondContact O-CA 3.37Å; V39-V71 HydrophobicContact CG2-CG1 4.01Å; F62-V71 CarbonylContact C-O 3.55Å; F62-V71 WeakPolarHBondContact CA-O 3.44Å; A63-V71 PolarHBondContact N-O 3.48Å; A63-V71 PolarHBondContact O-N 2.91Å; R65-V71 HydrophobicContact CG-CG2 4.41Å; T69-V71 HydrophobicContact CG2-CG1 3.98Å
72	T	83.4	Confident	75.1	Confident	3 Å²	3	51.3 Å²	51.3	2%	0.018	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	145	162.7	45.3	0	0	0	0	111.5	V34 R35 G37 Y38 H61 F62	V34-T72 HydrophobicContact CB-CG2 3.97Å; V34-T72 HydrophobicContact CG1-CG2 3.59Å; R35-T72 WeakPolarHBondContact O-CB 3.48Å; R35-T72 PolarHBondContact O-OG1 3.35Å; G37-T72 PolarHBondContact N-O 2.97Å; G37-T72 PolarHBondContact N-OG1 3.33Å; G37-T72 VanDerWaalsContact N-OG1 3.1Å; Y38-T72 WeakPolarHBondContact CB-OG1 3.44Å; Y38-T72 PolarHBondContact N-OG1 3.36Å; Y38-T72 PolarHBondContact O-N 3.34Å; Y38-T72 PolarHBondContact O-OG1 2.93Å; H61-T72 CarbonylContact O-C 3.5Å; H61-T72 WeakPolarHBondContact O-CA 3.42Å; F62-T72 HydrophobicContact CD1-CG2 3.72Å; F62-T72 HydrophobicContact CE1-CG2 3.61Å
73	V	81	Confident	75	Confident	71 Å²	71	53.6 Å²	53.6	43%	0.43	31%	0.306	S	S	.	.	S	Bend	trans	-105.8	-40.7	174.3	-176.7	0	0	0	0	110.8	P36 H61 A63	P36-V73 WeakPolarHBondContact CB-O 3.06Å; H61-V73 PolarHBondContact O-N 3.28Å; A63-V73 HydrophobicContact CB-CG2 3.45Å; A63-V73 VanDerWaalsContact CB-CG2 3.45Å
74	D	72.5	Confident	75.1	Confident	92 Å²	92	55.6 Å²	55.6	49%	0.492	32%	0.318	S	S	.	.	S	Bend	trans	-122.8	162.4	179.2	-89.7	-52	0	0	0	110.8	T76	D74-T76 PolarHBondContact O-N 2.99Å
75	V	75.9	Confident	75.4	Confident	77 Å²	77	55.3 Å²	55.3	47%	0.467	32%	0.317	S	S	.	.			trans	-60.2	128.6	168.9	-178.5	0	0	0	0	108.3	E33 V34 P36	E33-V75 HydrophobicContact CG-CG1 3.99Å; E33-V75 VanDerWaalsContact OE1-CG1 3.27Å; E33-V75 WeakPolarHBondContact OE1-CG1 3.44Å; V34-V75 WeakPolarHBondContact O-CA 3.05Å; P36-V75 HydrophobicContact CG-CG2 4.14Å
76	T	75.2	Confident	75.7	Confident	12 Å²	12	52 Å²	52	7%	0.074	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	148	179	-143.3	0	0	0	0	111.7	V34 H61 F62 D74 R83	V34-T76 PolarHBondContact N-O 3.35Å; V34-T76 PolarHBondContact O-N 3.48Å; H61-T76 HydrophobicContact CB-CG2 3.86Å; H61-T76 VanDerWaalsContact CG-OG1 3.31Å; H61-T76 PolarHBondContact ND1-OG1 2.93Å; F62-T76 HydrophobicContact CE1-CG2 3.84Å; F62-T76 HydrophobicContact CE2-CG2 4.16Å; F62-T76 HydrophobicContact CZ-CG2 3.45Å; F62-T76 VanDerWaalsContact CZ-CG2 3.45Å; D74-T76 PolarHBondContact O-N 2.99Å; T76-R83 PolarHBondContact OG1-NH1 3.5Å; T76-R83 PolarHBondContact OG1-NH2 3.23Å
77	T	78.4	Confident	76.4	Confident	76 Å²	76	48.2 Å²	48.2	47%	0.466	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	154.3	-179.4	50.4	0	0	0	0	112.6	V32 E33 R83	V32-T77 CarbonylContact O-C 3.52Å; V32-T77 WeakPolarHBondContact O-CA 3.42Å; V32-T77 VanDerWaalsContact O-CB 3.24Å; V32-T77 WeakPolarHBondContact O-CB 3.27Å; V32-T77 WeakPolarHBondContact O-CG2 3.26Å; E33-T77 HydrophobicContact CB-CG2 4.08Å; E33-T77 HydrophobicContact CG-CG2 4.05Å; T77-R83 PolarHBondContact O-NH1 3.4Å
78	V	74.9	Confident	77.1	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	28%	0.28	C	S	.	.			trans	-119	119.7	172.3	-179.6	0	0	0	0	108	V30 V32 V34 R83 L103 P105	V30-V78 HydrophobicContact CG2-CB 4.15Å; V30-V78 HydrophobicContact CG2-CG1 4.41Å; V30-V78 HydrophobicContact CG2-CG2 3.67Å; V32-V78 PolarHBondContact O-N 2.96Å; V34-V78 HydrophobicContact CG2-CG2 4.27Å; V78-R83 HydrophobicContact CG1-CB 4.06Å; V78-R83 HydrophobicContact CG2-CB 4.41Å; V78-L103 HydrophobicContact CG1-CB 4.11Å; V78-L103 HydrophobicContact CG2-CB 4.32Å; V78-L103 HydrophobicContact CG2-CD1 3.92Å; V78-P105 HydrophobicContact CB-CB 4.37Å; V78-P105 HydrophobicContact CG1-CB 4.13Å; V78-P105 HydrophobicContact CG1-CG 4.39Å
79	T	69.7	Low	77.4	Confident	87 Å²	87	50.6 Å²	50.6	53%	0.534	28%	0.282	S	S	.	.			trans	-83.9	160.9	-176.8	49.8	0	0	0	0	111.6	E81 G82 P105	T79-E81 PolarHBondContact O-N 3.25Å; T79-G82 WeakPolarHBondContact O-CA 3.44Å; T79-G82 PolarHBondContact O-N 3.31Å; T79-P105 WeakPolarHBondContact O-CD 3Å; T79-P105 VanDerWaalsContact O-CG 3.3Å; T79-P105 WeakPolarHBondContact O-CG 3.19Å
80	A	62.4	Low	76.8	Confident	79 Å²	79	54.2 Å²	54.2	65%	0.653	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-20.6	-175.5	0	0	0	0	0	115.7	G82 L107	A80-G82 VanDerWaalsContact C-N 3.28Å; A80-L107 HydrophobicContact CB-CD1 4.09Å
81	E	64.7	Low	75.9	Confident	193 Å²	193	55.4 Å²	55.4	90%	0.902	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.5	175.4	-58.8	-176.6	165	0	0	113.3	T79	T79-E81 PolarHBondContact O-N 3.25Å
82	G	69.3	Low	74.6	Confident	21 Å²	21	58.3 Å²	58.3	22%	0.216	33%	0.333	C	S	.	.			trans	82.3	171.1	-170.7	0	0	0	0	0	113.5	T79 A80 L103	T79-G82 WeakPolarHBondContact O-CA 3.44Å; T79-G82 PolarHBondContact O-N 3.31Å; A80-G82 VanDerWaalsContact C-N 3.28Å; G82-L103 CarbonylContact C-O 3.53Å; G82-L103 WeakPolarHBondContact CA-O 3.19Å
83	R	81.6	Confident	73.5	Confident	51 Å²	51	61.7 Å²	61.7	19%	0.192	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	120.8	179.7	-175.6	172.1	178	172.1	-9.3	109.9	D59 H61 T76 T77 V78 L103	D59-R83 VanDerWaalsContact CG-NH2 3.27Å; D59-R83 IonicContact OD1-NH2 3.99Å; D59-R83 PolarHBondContact OD1-NH2 2.96Å; D59-R83 IonicContact OD2-CZ 3.97Å; D59-R83 IonicContact OD2-NE 2.76Å; D59-R83 PolarHBondContact OD2-NE 3.35Å; D59-R83 IonicContact OD2-NH2 3.69Å; D59-R83 PolarHBondContact OD2-NH2 3.18Å; H61-R83 PolarHBondContact CD2-NH2 3.22Å; T76-R83 PolarHBondContact OG1-NH1 3.5Å; T76-R83 PolarHBondContact OG1-NH2 3.23Å; T77-R83 PolarHBondContact O-NH1 3.4Å; V78-R83 HydrophobicContact CG1-CB 4.06Å; V78-R83 HydrophobicContact CG2-CB 4.41Å; R83-L103 HydrophobicContact CB-CB 4.43Å; R83-L103 PolarHBondContact N-O 3.14Å; R83-L103 WeakPolarHBondContact O-CB 3.33Å; R83-L103 PolarHBondContact O-N 3.42Å
84	S	83.5	Confident	72.6	Confident	81 Å²	81	59.8 Å²	59.8	57%	0.566	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	131	-175.1	-58.7	0	0	0	0	111.7	V101 H102	S84-V101 CarbonylContact C-O 3.56Å; S84-V101 VanDerWaalsContact CA-O 3.3Å; S84-V101 WeakPolarHBondContact CA-O 3.5Å; S84-H102 WeakPolarHBondContact CB-ND1 3.45Å; S84-H102 PolarHBondContact OG-ND1 3.09Å
85	F	84.4	Confident	72.1	Confident	9 Å²	9	62.3 Å²	62.3	4%	0.039	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	169.4	177.7	68.2	-84.4	0	0	0	110.9	S57 S58 D59 F62 I70 V87 V101 L103	S57-F85 WeakPolarHBondContact OG-CD2 3.48Å; S58-F85 WeakPolarHBondContact OG-CB 2.97Å; D59-F85 HydrophobicContact CB-CB 3.65Å; D59-F85 HydrophobicContact CB-CD2 4.28Å; D59-F85 HydrophobicContact CB-CG 3.98Å; F62-F85 HydrophobicContact CB-CE1 4.35Å; F62-F85 HydrophobicContact CB-CE2 3.72Å; F62-F85 HydrophobicContact CB-CZ 3.6Å; F62-F85 HydrophobicContact CD1-CE1 4.45Å; F62-F85 HydrophobicContact CD1-CZ 4.29Å; F62-F85 AromaticContact CD2-CD1 3.91Å; F62-F85 HydrophobicContact CD2-CD1 3.91Å; F62-F85 HydrophobicContact CD2-CD2 4.45Å; F62-F85 AromaticContact CD2-CE1 3.58Å; F62-F85 HydrophobicContact CD2-CE1 3.58Å; F62-F85 HydrophobicContact CD2-CE2 4.16Å; F62-F85 HydrophobicContact CD2-CG 4.33Å; F62-F85 AromaticContact CD2-CZ 3.72Å; F62-F85 HydrophobicContact CD2-CZ 3.72Å; F62-F85 HydrophobicContact CE2-CD1 4.1Å; F62-F85 AromaticContact CE2-CE1 3.88Å; F62-F85 HydrophobicContact CE2-CE1 3.88Å; F62-F85 HydrophobicContact CE2-CZ 4.44Å; F62-F85 AromaticContact CG-CE1 3.89Å; F62-F85 HydrophobicContact CG-CE1 3.89Å; F62-F85 HydrophobicContact CG-CE2 4.15Å; F62-F85 AromaticContact CG-CZ 3.62Å; F62-F85 HydrophobicContact CG-CZ 3.62Å; F62-F85 HydrophobicContact CZ-CE1 4.42Å; I70-F85 HydrophobicContact CG2-CZ 4.24Å; F85-V87 HydrophobicContact CD2-CG2 4.25Å; F85-V87 HydrophobicContact CE2-CG2 3.86Å; F85-V101 HydrophobicContact CD1-CB 4.15Å; F85-V101 HydrophobicContact CD1-CG1 4.36Å; F85-V101 HydrophobicContact CD2-CB 4.41Å; F85-V101 HydrophobicContact CE1-CB 3.85Å; F85-V101 HydrophobicContact CE1-CG1 3.65Å; F85-V101 HydrophobicContact CE2-CB 4.13Å; F85-V101 HydrophobicContact CE2-CG1 4.47Å; F85-V101 HydrophobicContact CE2-CG2 4.11Å; F85-V101 HydrophobicContact CG-CB 4.42Å; F85-V101 HydrophobicContact CZ-CB 3.85Å; F85-V101 HydrophobicContact CZ-CG1 3.72Å; F85-V101 HydrophobicContact CZ-CG2 4.16Å; F85-V101 PolarHBondContact N-O 3.47Å; F85-V101 PolarHBondContact O-N 2.82Å; F85-L103 HydrophobicContact CE1-CD1 4.05Å; F85-L103 HydrophobicContact CE1-CD2 4.49Å; F85-L103 HydrophobicContact CE1-CG 4.16Å
86	W	83.8	Confident	71.9	Confident	58 Å²	58	68.1 Å²	68.1	22%	0.22	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	151.5	173.7	55.7	-101.1	0	0	0	112	S57 S58 R88 R98 M99 E100	S57-W86 CarbonylContact C-O 3.54Å; S57-W86 WeakPolarHBondContact CA-O 3.31Å; S58-W86 VanDerWaalsContact CB-CE2 3.41Å; S58-W86 PolarHBondContact N-O 3.17Å; S58-W86 PolarHBondContact OG-N 3.15Å; S58-W86 PolarHBondContact OG-O 3.17Å; W86-R88 HydrophobicContact CE3-CB 4.19Å; W86-R88 HydrophobicContact CE3-CG 4.22Å; W86-R88 HydrophobicContact CZ3-CB 4.17Å; W86-R88 VanDerWaalsContact CZ3-CD 3.43Å; W86-R88 HydrophobicContact CZ3-CG 3.7Å; W86-R98 HydrophobicContact CB-CG 4.13Å; W86-R98 VanDerWaalsContact CD1-CZ 3.43Å; W86-R98 HydrophobicContact CG-CG 4.45Å; W86-M99 CarbonylContact C-O 3.58Å; W86-M99 VanDerWaalsContact CA-O 3.29Å; W86-M99 WeakPolarHBondContact CA-O 3.48Å; W86-M99 WeakPolarHBondContact CB-O 3.37Å; W86-E100 HydrophobicContact CB-CG 4.41Å
87	V	81	Confident	71.7	Confident	1 Å²	1	69 Å²	69	1%	0.006	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.9	168.9	-173	0	0	0	0	108.5	M64 F85 R98 M99 V101	M64-V87 HydrophobicContact CB-CG1 3.83Å; M64-V87 HydrophobicContact CG-CG1 4.47Å; M64-V87 HydrophobicContact SD-CB 4.34Å; M64-V87 HydrophobicContact SD-CG1 3.73Å; F85-V87 HydrophobicContact CD2-CG2 4.25Å; F85-V87 HydrophobicContact CE2-CG2 3.86Å; V87-R98 WeakPolarHBondContact O-CA 3.21Å; V87-M99 PolarHBondContact N-O 2.83Å; V87-M99 PolarHBondContact O-N 3.47Å; V87-V101 HydrophobicContact CG2-CG2 4.45Å
88	R	81.3	Confident	71.7	Confident	127 Å²	127	71.6 Å²	71.6	48%	0.479	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145.6	174.1	73.2	-172.8	175.2	-165.4	-3	111.1	T56 W86 W97 R98	T56-R88 PolarHBondContact N-O 3.36Å; T56-R88 PolarHBondContact O-N 3.4Å; T56-R88 VanDerWaalsContact OG1-CG 3.23Å; T56-R88 WeakPolarHBondContact OG1-CG 3.36Å; T56-R88 PolarHBondContact OG1-NE 3.1Å; W86-R88 HydrophobicContact CE3-CB 4.19Å; W86-R88 HydrophobicContact CE3-CG 4.22Å; W86-R88 HydrophobicContact CZ3-CB 4.17Å; W86-R88 VanDerWaalsContact CZ3-CD 3.43Å; W86-R88 HydrophobicContact CZ3-CG 3.7Å; R88-W97 VanDerWaalsContact CA-O 3.23Å; R88-W97 WeakPolarHBondContact CA-O 3.31Å; R88-W97 VanDerWaalsContact CB-O 3.28Å; R88-W97 WeakPolarHBondContact CB-O 3.29Å; R88-R98 HydrophobicContact CB-CB 4.37Å
89	G	73.3	Confident	72	Confident	4 Å²	4	71.5 Å²	71.5	4%	0.041	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	171.8	174.5	0	0	0	0	0	112.4	R96 W97	G89-R96 WeakPolarHBondContact O-CA 3.43Å; G89-W97 PolarHBondContact N-O 2.04Å; G89-W97 VanDerWaalsContact N-O 3.1Å; G89-W97 PolarHBondContact O-N 3.43Å; G89-W97 VanDerWaalsContact O-N 3.1Å
90	R	68.2	Low	72.6	Confident	86 Å²	86	70.7 Å²	70.7	33%	0.325	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	134.8	167.4	-169.6	-160.2	-79.3	-101.7	26.3	108.1	W54 G94 R95 R96	W54-R90 HydrophobicContact CB-CB 4.29Å; R90-G94 PolarHBondContact NH1-O 3.11Å; R90-R95 CarbonylContact C-O 3.56Å; R90-R95 WeakPolarHBondContact CA-O 3.15Å; R90-R95 WeakPolarHBondContact CG-O 3.49Å; R90-R96 HydrophobicContact CG-CG 4.33Å
91	D	63.9	Low	73.6	Confident	26 Å²	26	66.9 Å²	66.9	14%	0.139	34%	0.34	C	S	.	.			trans	-79.8	167.7	174	67	26.4	0	0	0	112	G93 G94 R95	D91-G93 PolarHBondContact O-N 3.02Å; D91-G93 VanDerWaalsContact OD1-CA 3.27Å; D91-G93 WeakPolarHBondContact OD1-CA 3.33Å; D91-G93 PolarHBondContact OD1-N 3.43Å; D91-G94 PolarHBondContact O-N 3.3Å; D91-G94 PolarHBondContact OD1-N 3.46Å; D91-R95 PolarHBondContact N-O 3.45Å; D91-R95 PolarHBondContact OD1-N 2.99Å; D91-R95 WeakPolarHBondContact OD2-CB 3.45Å
92	G	58.6	Low	74.4	Confident	70 Å²	70	60.4 Å²	60.4	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.1	174.8	0	0	0	0	0	114.7	H49 G94	H49-G92 PolarHBondContact O-N 3.16Å; G92-G94 VanDerWaalsContact C-N 3.31Å
93	G	58.8	Low	75.1	Confident	73 Å²	73	59.6 Å²	59.6	75%	0.753	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.2	171.5	0	0	0	0	0	113.8	D91	D91-G93 PolarHBondContact O-N 3.02Å; D91-G93 VanDerWaalsContact OD1-CA 3.27Å; D91-G93 WeakPolarHBondContact OD1-CA 3.33Å; D91-G93 PolarHBondContact OD1-N 3.43Å
94	G	62.5	Low	74.9	Confident	31 Å²	31	59.6 Å²	59.6	32%	0.32	31%	0.309	S	S	.	.	S	Bend	trans	89.8	-4.7	177.8	0	0	0	0	0	115.7	R90 D91 G92	R90-G94 PolarHBondContact NH1-O 3.11Å; D91-G94 PolarHBondContact O-N 3.3Å; D91-G94 PolarHBondContact OD1-N 3.46Å; G92-G94 VanDerWaalsContact C-N 3.31Å
95	R	62	Low	74.5	Confident	145 Å²	145	56.4 Å²	56.4	55%	0.547	29%	0.286	S	S	.	.			trans	-73.1	157.6	178.9	-43.8	-179.6	178.4	-161.4	6.2	110.1	E19 R90 D91	E19-R95 IonicContact OE1-CZ 3.89Å; E19-R95 IonicContact OE1-NH1 2.85Å; E19-R95 PolarHBondContact OE1-NH1 2.89Å; E19-R95 IonicContact OE1-NH2 2.64Å; E19-R95 PolarHBondContact OE1-NH2 3.2Å; R90-R95 CarbonylContact C-O 3.56Å; R90-R95 WeakPolarHBondContact CA-O 3.15Å; R90-R95 WeakPolarHBondContact CG-O 3.49Å; D91-R95 PolarHBondContact N-O 3.45Å; D91-R95 PolarHBondContact OD1-N 2.99Å; D91-R95 WeakPolarHBondContact OD2-CB 3.45Å
96	R	71.3	Confident	73.6	Confident	199 Å²	199	60.7 Å²	60.7	75%	0.751	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	140	-177.2	-63.8	179.9	-177.9	174.6	-0.3	111	G89 R90	G89-R96 WeakPolarHBondContact O-CA 3.43Å; R90-R96 HydrophobicContact CG-CG 4.33Å
97	W	72.1	Confident	72.4	Confident	32 Å²	32	63.2 Å²	63.2	12%	0.121	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.9	173.8	54.8	-102	0	0	0	111	V22 I50 L55 M64 R88 G89	V22-W97 HydrophobicContact CG1-CD2 4.39Å; V22-W97 HydrophobicContact CG1-CE3 4.1Å; V22-W97 HydrophobicContact CG1-CZ3 4.37Å; V22-W97 HydrophobicContact CG2-CD2 4.16Å; V22-W97 HydrophobicContact CG2-CG 4.12Å; I50-W97 HydrophobicContact CD1-CZ2 4.31Å; L55-W97 HydrophobicContact CD2-CH2 3.87Å; L55-W97 HydrophobicContact CD2-CZ2 3.83Å; M64-W97 HydrophobicContact CE-CH2 4.01Å; M64-W97 HydrophobicContact SD-CH2 3.8Å; M64-W97 HydrophobicContact SD-CZ3 4.32Å; R88-W97 VanDerWaalsContact CA-O 3.23Å; R88-W97 WeakPolarHBondContact CA-O 3.31Å; R88-W97 VanDerWaalsContact CB-O 3.28Å; R88-W97 WeakPolarHBondContact CB-O 3.29Å; G89-W97 PolarHBondContact N-O 2.04Å; G89-W97 VanDerWaalsContact N-O 3.1Å; G89-W97 PolarHBondContact O-N 3.43Å; G89-W97 VanDerWaalsContact O-N 3.1Å
98	R	78.7	Confident	71	Confident	129 Å²	129	71.6 Å²	71.6	49%	0.487	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.9	174.7	170.2	177.4	168.8	168.3	-5.6	108.2	W86 V87 R88 E100	W86-R98 HydrophobicContact CB-CG 4.13Å; W86-R98 VanDerWaalsContact CD1-CZ 3.43Å; W86-R98 HydrophobicContact CG-CG 4.45Å; V87-R98 WeakPolarHBondContact O-CA 3.21Å; R88-R98 HydrophobicContact CB-CB 4.37Å; R98-E100 IonicContact CZ-OE1 3.88Å; R98-E100 VanDerWaalsContact CZ-OE1 3.25Å; R98-E100 IonicContact NE-OE1 3.58Å; R98-E100 PolarHBondContact NE-OE1 2.63Å; R98-E100 VanDerWaalsContact NE-OE1 3.11Å; R98-E100 IonicContact NH2-OE1 2.79Å; R98-E100 PolarHBondContact NH2-OE1 3.06Å
99	M	81.1	Confident	68.8	Low	0 Å²	0	74 Å²	74	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	142	175.2	175	-178.4	64.6	0	0	108.8	P23 H24 I26 V43 M64 I70 W86 V87	P23-M99 HydrophobicContact CG-SD 4.08Å; P23-M99 WeakPolarHBondContact O-CB 3.45Å; P23-M99 WeakPolarHBondContact O-CG 3.48Å; H24-M99 CarbonylContact O-C 3.58Å; H24-M99 WeakPolarHBondContact O-CA 3.47Å; I26-M99 HydrophobicContact CG2-SD 4.48Å; V43-M99 HydrophobicContact CB-CE 4.48Å; V43-M99 HydrophobicContact CB-SD 4.47Å; V43-M99 HydrophobicContact CG1-SD 4.01Å; V43-M99 HydrophobicContact CG2-CE 3.86Å; V43-M99 HydrophobicContact CG2-SD 3.89Å; M64-M99 HydrophobicContact CE-CE 4.22Å; M64-M99 HydrophobicContact SD-CE 4.26Å; I70-M99 HydrophobicContact CD1-CE 3.79Å; W86-M99 CarbonylContact C-O 3.58Å; W86-M99 VanDerWaalsContact CA-O 3.29Å; W86-M99 WeakPolarHBondContact CA-O 3.48Å; W86-M99 WeakPolarHBondContact CB-O 3.37Å; V87-M99 PolarHBondContact N-O 2.83Å; V87-M99 PolarHBondContact O-N 3.47Å
100	E	82	Confident	66.9	Low	69 Å²	69	82.5 Å²	82.5	32%	0.322	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.8	178.9	-45	-141.4	123	0	0	111.1	H24 S25 I26 W86 R98	H24-E100 PolarHBondContact O-N 2.88Å; S25-E100 CarbonylContact C-O 3.54Å; S25-E100 WeakPolarHBondContact CA-O 3.49Å; I26-E100 PolarHBondContact N-O 2.86Å; W86-E100 HydrophobicContact CB-CG 4.41Å; R98-E100 IonicContact CZ-OE1 3.88Å; R98-E100 VanDerWaalsContact CZ-OE1 3.25Å; R98-E100 IonicContact NE-OE1 3.58Å; R98-E100 PolarHBondContact NE-OE1 2.63Å; R98-E100 VanDerWaalsContact NE-OE1 3.11Å; R98-E100 IonicContact NH2-OE1 2.79Å; R98-E100 PolarHBondContact NH2-OE1 3.06Å
101	V	83.9	Confident	65.2	Low	0 Å²	0	87 Å²	87	0%	0	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.1	-174.7	-175.9	0	0	0	0	107.5	I26 I70 S84 F85 V87 L103	I26-V101 HydrophobicContact CG2-CB 4.3Å; I26-V101 HydrophobicContact CG2-CG1 4.17Å; I26-V101 HydrophobicContact CG2-CG2 3.96Å; I70-V101 HydrophobicContact CD1-CG2 3.81Å; S84-V101 CarbonylContact C-O 3.56Å; S84-V101 VanDerWaalsContact CA-O 3.3Å; S84-V101 WeakPolarHBondContact CA-O 3.5Å; F85-V101 HydrophobicContact CD1-CB 4.15Å; F85-V101 HydrophobicContact CD1-CG1 4.36Å; F85-V101 HydrophobicContact CD2-CB 4.41Å; F85-V101 HydrophobicContact CE1-CB 3.85Å; F85-V101 HydrophobicContact CE1-CG1 3.65Å; F85-V101 HydrophobicContact CE2-CB 4.13Å; F85-V101 HydrophobicContact CE2-CG1 4.47Å; F85-V101 HydrophobicContact CE2-CG2 4.11Å; F85-V101 HydrophobicContact CG-CB 4.42Å; F85-V101 HydrophobicContact CZ-CB 3.85Å; F85-V101 HydrophobicContact CZ-CG1 3.72Å; F85-V101 HydrophobicContact CZ-CG2 4.16Å; F85-V101 PolarHBondContact N-O 3.47Å; F85-V101 PolarHBondContact O-N 2.82Å; V87-V101 HydrophobicContact CG2-CG2 4.45Å; V101-L103 HydrophobicContact CG1-CD2 3.95Å
102	H	81.8	Confident	63.7	Low	56 Å²	56	92.8 Å²	92.8	26%	0.259	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.3	177.1	-51.7	-84.3	0	0	0	109.6	I26 Q27 A28 S84	I26-H102 PolarHBondContact O-N 2.89Å; Q27-H102 CarbonylContact C-O 3.55Å; Q27-H102 VanDerWaalsContact CA-O 3.32Å; Q27-H102 WeakPolarHBondContact CA-O 3.27Å; Q27-H102 HydrophobicContact CG-CB 4.21Å; A28-H102 PolarHBondContact N-O 2.81Å; S84-H102 WeakPolarHBondContact CB-ND1 3.45Å; S84-H102 PolarHBondContact OG-ND1 3.09Å
103	L	83.6	Confident	62.2	Low	5 Å²	5	98.1 Å²	98.1	3%	0.026	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	140.6	173.3	-51	-176.3	0	0	0	109.9	A28 V30 I40 F62 V78 G82 R83 F85 V101	A28-L103 HydrophobicContact CB-CD2 4.19Å; A28-L103 WeakPolarHBondContact O-CA 3.29Å; V30-L103 HydrophobicContact CG1-CD2 4.39Å; V30-L103 HydrophobicContact CG2-CB 4.23Å; V30-L103 HydrophobicContact CG2-CD1 4.3Å; I40-L103 HydrophobicContact CD1-CD1 4.19Å; I40-L103 HydrophobicContact CD1-CD2 4.23Å; I40-L103 HydrophobicContact CG2-CD2 3.57Å; F62-L103 HydrophobicContact CE1-CD1 3.9Å; F62-L103 HydrophobicContact CE2-CD1 4.27Å; F62-L103 HydrophobicContact CZ-CD1 3.59Å; V78-L103 HydrophobicContact CG1-CB 4.11Å; V78-L103 HydrophobicContact CG2-CB 4.32Å; V78-L103 HydrophobicContact CG2-CD1 3.92Å; G82-L103 CarbonylContact C-O 3.53Å; G82-L103 WeakPolarHBondContact CA-O 3.19Å; R83-L103 HydrophobicContact CB-CB 4.43Å; R83-L103 PolarHBondContact N-O 3.14Å; R83-L103 WeakPolarHBondContact O-CB 3.33Å; R83-L103 PolarHBondContact O-N 3.42Å; F85-L103 HydrophobicContact CE1-CD1 4.05Å; F85-L103 HydrophobicContact CE1-CD2 4.49Å; F85-L103 HydrophobicContact CE1-CG 4.16Å; V101-L103 HydrophobicContact CG1-CD2 3.95Å
104	S	77.4	Confident	60.6	Low	51 Å²	51	101.4 Å²	101.4	36%	0.357	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.5	162.6	47.6	0	0	0	0	109.8	A28 Q29 V30	A28-S104 PolarHBondContact O-N 3.23Å; Q29-S104 WeakPolarHBondContact CA-O 3.37Å; Q29-S104 WeakPolarHBondContact CG-OG 3.29Å; V30-S104 PolarHBondContact N-O 3.3Å
105	P	74.6	Confident	59.1	Low	14 Å²	14	105.6 Å²	105.6	9%	0.091	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	145.5	179.7	33.4	-33.6	0	0	0	110.8	V30 V32 V78 T79 L107	V30-P105 CarbonylContact O-C 3.34Å; V30-P105 VanDerWaalsContact O-CA 3.24Å; V30-P105 WeakPolarHBondContact O-CA 3.3Å; V32-P105 HydrophobicContact CG2-CB 4.13Å; V78-P105 HydrophobicContact CB-CB 4.37Å; V78-P105 HydrophobicContact CG1-CB 4.13Å; V78-P105 HydrophobicContact CG1-CG 4.39Å; T79-P105 WeakPolarHBondContact O-CD 3Å; T79-P105 VanDerWaalsContact O-CG 3.3Å; T79-P105 WeakPolarHBondContact O-CG 3.19Å; P105-L107 HydrophobicContact CB-CD2 4.48Å; P105-L107 HydrophobicContact CB-CG 4.36Å; P105-L107 HydrophobicContact CG-CD1 4.21Å; P105-L107 HydrophobicContact CG-CD2 4.37Å; P105-L107 HydrophobicContact CG-CG 4.09Å
106	D	65	Low	57.3	Low	99 Å²	99	105.9 Å²	105.9	53%	0.529	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.9	164.1	-150.3	-5.9	0	0	0	109.3	V30 V32	V30-D106 PolarHBondContact O-N 3.14Å; V32-D106 WeakPolarHBondContact CG2-O 3.42Å
107	L	59.8	Low	55.2	Low	111 Å²	111	106.1 Å²	106.1	58%	0.581	52%	0.518	S	S	*	.			trans	-115.2	43.1	-161.8	-78.2	173	0	0	0	113.9	V32 A80 P105	V32-L107 HydrophobicContact CG2-CD2 3.85Å; A80-L107 HydrophobicContact CB-CD1 4.09Å; P105-L107 HydrophobicContact CB-CD2 4.48Å; P105-L107 HydrophobicContact CB-CG 4.36Å; P105-L107 HydrophobicContact CG-CD1 4.21Å; P105-L107 HydrophobicContact CG-CD2 4.37Å; P105-L107 HydrophobicContact CG-CG 4.09Å
108	E	50.4	Low	53.1	Low	176 Å²	176	110.6 Å²	110.6	82%	0.822	55%	0.548	S	S	*	.			trans	-127.2	57.6	170.4	-68	-159.4	149.7	0	0	113.3
109	Q	36.4	Very low	50.8	Low	179 Å²	179	109.7 Å²	109.7	84%	0.836	56%	0.559	S	S	*	*			trans	-161.8	141	158.1	-109.6	144.7	46.6	0	0	117.3
110	E	33.3	Very low	48.2	Very low	182 Å²	182	119.5 Å²	119.5	85%	0.85	60%	0.602	S	S	*	*			trans	73.2	146.9	151.8	-64.3	-169.3	154.5	0	0	124.1
111	H	32.9	Very low	45.5	Very low	179 Å²	179	123.6 Å²	123.6	83%	0.829	63%	0.626	S	S	*	*			trans	-92.5	164.2	173.9	-68.7	-144.8	0	0	0	110.5
112	I	30.8	Very low	42.9	Very low	149 Å²	149	130 Å²	130	76%	0.764	67%	0.665	S	S	*	*				171.8	133.2	121.3	-90.6	159.2	0	0	0	113.5
113	Q	27.7	Very low	40.4	Very low	181 Å²	181	132.8 Å²	132.8	85%	0.846	69%	0.688	S	S	*	*			trans	41.3	134.3	155.4	-64.4	173.9	5.7	0	0	123.2
114	V	26.3	Very low	37.6	Very low	143 Å²	143	137.5 Å²	137.5	87%	0.867	73%	0.727	S	S	*	*			trans	-140.5	135	165.2	178.9	0	0	0	0	110.5
115	P	30	Very low	35.5	Very low	119 Å²	119	144 Å²	144	77%	0.773	75%	0.752	S	S	*	*			trans	-101.6	133.9	176.5	35.4	-31.2	0	0	0	115.4
116	M	24.9	Very low	33.4	Very low	151 Å²	151	152.8 Å²	152.8	74%	0.744	79%	0.789	S	S	*	*			trans	43.6	125	150.2	-81.9	-149.8	-174.6	0	0	123.7
117	R	27.3	Very low	31.7	Very low	204 Å²	204	152 Å²	152	77%	0.77	80%	0.803	S	S	*	*				55.4	141.8	122.8	-66.9	-173	178.5	168.3	1.5	119
118	V	27.5	Very low	30.3	Very low	125 Å²	125	153.6 Å²	153.6	76%	0.758	82%	0.818	S	S	*	*			cis	-169.7	-178.2	14	-103.3	0	0	0	0	107.6
119	P	30.8	Very low	29.4	Very low	110 Å²	110	154.2 Å²	154.2	71%	0.714	82%	0.821	S	S	*	*			cis	-125.8	179.5	-47.3	37.6	-23.3	0	0	0	110.9
120	F	25.3	Very low	29	Very low	207 Å²	207	157.6 Å²	157.6	91%	0.908	83%	0.826	S	S	*	*			trans	-146.1	148	157.1	-130.9	-90.3	0	0	0	114.1
121	N	26.7	Very low	28.9	Very low	155 Å²	155	151.8 Å²	151.8	83%	0.829	82%	0.815	S	S	*	*			trans	-78.9	145	-175.7	-79.2	-38.8	0	0	0	113.2
122	V	28	Very low	29.3	Very low	135 Å²	135	149.4 Å²	149.4	82%	0.818	82%	0.815	S	S	*	*			trans	-129.8	134.6	158.6	-179.1	0	0	0	0	107.3
123	P	28.9	Very low	30	Very low	114 Å²	114	148 Å²	148	74%	0.74	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-84.4	162.8	-157.1	32.4	-37.4	0	0	0	115.6
124	A	26.2	Very low	30.2	Very low	103 Å²	103	148.6 Å²	148.6	85%	0.851	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-65.2	131	-177.5	0	0	0	0	0	113.8
125	H	32.7	Very low	30.7	Very low	189 Å²	189	148.3 Å²	148.3	88%	0.875	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-97.7	148.1	160	-97.2	-102.5	0	0	0	111.5
126	K	31.2	Very low	30.8	Very low	198 Å²	198	150.7 Å²	150.7	86%	0.861	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-75.5	143	-168	-63.4	172.4	-178	173.9	0	111.6
127	G	28.3	Very low	31.3	Very low	81 Å²	81	154.6 Å²	154.6	84%	0.835	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-63.8	139.8	175.7	0	0	0	0	0	112.9
128	V	30.8	Very low	31.5	Very low	146 Å²	146	156.6 Å²	156.6	89%	0.885	84%	0.839	S	S	*	*			trans	-118.2	149.1	168.2	179.3	0	0	0	0	107.8
129	Q	31.6	Very low	31.9	Very low	188 Å²	188	156 Å²	156	88%	0.879	84%	0.841	S	S	*	*			trans	-75	144.1	-163.4	-62.7	179.2	-8.1	0	0	113.3	G131	Q129-G131 PolarHBondContact O-N 3.39Å
130	R	28.5	Very low	32.5	Very low	250 Å²	250	157 Å²	157	94%	0.943	83%	0.834	S	S	*	*			trans	-72.3	109.3	170.2	-77.4	-178.5	171	173.5	-3.3	110.4
131	G	31.3	Very low	33.1	Very low	61 Å²	61	156.1 Å²	156.1	63%	0.629	82%	0.824	S	S	*	*			trans	-81.3	139.7	158.2	0	0	0	0	0	110.7	Q129 S133	Q129-G131 PolarHBondContact O-N 3.39Å; G131-S133 PolarHBondContact O-N 3.08Å; G131-S133 VanDerWaalsContact O-N 3.16Å
132	P	41	Very low	33.9	Very low	128 Å²	128	156.4 Å²	156.4	83%	0.831	81%	0.814	S	S	*	*	S	Bend	trans	-88.4	77.9	-175.1	34.6	-34.9	0	0	0	112.6
133	S	45.7	Very low	34.9	Very low	120 Å²	120	158.7 Å²	158.7	84%	0.839	81%	0.808	S	S	*	*			trans	179.8	77.2	152.2	-82.9	0	0	0	0	112.5	G131	G131-S133 PolarHBondContact O-N 3.08Å; G131-S133 VanDerWaalsContact O-N 3.16Å
134	E	31.6	Very low	36	Very low	193 Å²	193	157 Å²	157	90%	0.902	80%	0.798	S	S	*	*			trans	-120.9	119.1	156.1	-74.5	-164.7	135.7	0	0	109.2	L136	E134-L136 PolarHBondContact O-N 2.86Å
135	V	36.8	Very low	37.8	Very low	137 Å²	137	154.3 Å²	154.3	83%	0.83	77%	0.772	S	S	*	*			trans	-76.7	119.9	177.3	176.6	0	0	0	0	108.5	R137	V135-R137 VanDerWaalsContact C-N 3.3Å; V135-R137 PolarHBondContact O-N 2.93Å
136	L	32.4	Very low	39.6	Very low	170 Å²	170	147.1 Å²	147.1	89%	0.89	74%	0.74	S	S	*	*			trans	-63.9	85.7	173.8	-68.5	172.4	0	0	0	110.9	E134 R138	E134-L136 PolarHBondContact O-N 2.86Å; L136-R138 PolarHBondContact O-N 3.06Å
137	R	35.5	Very low	42.1	Very low	233 Å²	233	139.7 Å²	139.7	88%	0.879	71%	0.712	S	S	*	*			trans	-66.8	112	169.3	-84.6	-173.5	164.8	-169.9	-4.9	109.2	V135 S139	V135-R137 VanDerWaalsContact C-N 3.3Å; V135-R137 PolarHBondContact O-N 2.93Å; R137-S139 PolarHBondContact O-N 3.31Å
138	R	31.4	Very low	44.8	Very low	246 Å²	246	136.6 Å²	136.6	93%	0.928	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-57.1	121.8	164.9	-76.4	-175.3	169.8	-165.7	-3.1	109.2	L136	L136-R138 PolarHBondContact O-N 3.06Å
139	S	34.7	Very low	47.5	Very low	112 Å²	112	131.4 Å²	131.4	78%	0.783	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-71	128.1	160.7	43.2	0	0	0	0	108.9	R137 R141	R137-S139 PolarHBondContact O-N 3.31Å; S139-R141 PolarHBondContact O-N 3.09Å
140	K	44.1	Very low	50.4	Low	131 Å²	131	123.2 Å²	123.2	57%	0.57	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-62.6	119.7	-179.7	-165.2	175.4	179.1	178.9	0	109	D168 D231	K140-D168 WeakPolarHBondContact CE-OD1 3.34Å; K140-D168 VanDerWaalsContact CE-OD2 3.22Å; K140-D168 WeakPolarHBondContact CE-OD2 3.33Å; K140-D168 IonicContact NZ-OD1 2.76Å; K140-D168 PolarHBondContact NZ-OD1 2.72Å; K140-D168 IonicContact NZ-OD2 3.21Å; K140-D168 PolarHBondContact NZ-OD2 2.03Å; K140-D231 IonicContact NZ-OD1 3.72Å; K140-D231 PolarHBondContact NZ-OD1 3Å; K140-D231 VanDerWaalsContact NZ-OD1 3.1Å
141	R	36.6	Very low	53.3	Low	188 Å²	188	114 Å²	114	71%	0.709	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-64.7	135.6	168.3	-70.8	-168.1	-179.3	-149.2	3	108	S139 W143	S139-R141 PolarHBondContact O-N 3.09Å; R141-W143 PolarHBondContact O-N 3.32Å
142	R	44.7	Very low	56.3	Low	162 Å²	162	111.2 Å²	111.2	61%	0.611	55%	0.548	S	S	*	.			trans	-84.2	103.8	179.4	-172.9	-151.6	-70.3	-112.2	14.8	108.7	P233	R142-P233 PolarHBondContact NH1-O 2.91Å
143	W	48.4	Very low	58.7	Low	182 Å²	182	109 Å²	109	69%	0.689	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-75.1	124.1	161	-60.4	101.7	0	0	0	108.3	R141 F858	R141-W143 PolarHBondContact O-N 3.32Å; W143-F858 HydrophobicContact CH2-CD1 4.42Å; W143-F858 HydrophobicContact CH2-CE1 4.46Å; W143-F858 HydrophobicContact CZ3-CD1 4.35Å; W143-F858 HydrophobicContact CZ3-CE1 4.37Å
144	S	51.6	Low	60.8	Low	78 Å²	78	105.6 Å²	105.6	55%	0.545	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-76.4	144.1	157.4	-167.2	0	0	0	0	107.8
145	P	64.3	Low	63.5	Low	47 Å²	47	102.8 Å²	102.8	31%	0.305	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-59.6	146.8	162.8	27.8	-33.3	0	0	0	108.5	L234 I236	P145-L234 HydrophobicContact CG-CD2 4.3Å; P145-L234 HydrophobicContact CG-CG 4.2Å; P145-I236 HydrophobicContact CG-CG1 3.82Å
146	L	71.9	Confident	66	Low	39 Å²	39	100.7 Å²	100.7	20%	0.204	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-67.3	148.9	171	-65.3	164.8	0	0	0	109	F148 K854 Y857	L146-F148 PolarHBondContact O-N 3.3Å; L146-K854 HydrophobicContact CD1-CB 3.79Å; L146-K854 HydrophobicContact CD1-CD 3.52Å; L146-K854 HydrophobicContact CD1-CG 3.57Å; L146-Y857 HydrophobicContact CD2-CD2 3.46Å; L146-Y857 VanDerWaalsContact CD2-CD2 3.46Å; L146-Y857 HydrophobicContact CD2-CE2 4.1Å; L146-Y857 HydrophobicContact CD2-CG 3.76Å
147	P	82.8	Confident	68.8	Low	42 Å²	42	97.9 Å²	97.9	27%	0.273	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-59.2	121.4	166.5	-20.6	32.6	0	0	0	109.9	T237 L239	P147-T237 VanDerWaalsContact CA-O 3.31Å; P147-T237 WeakPolarHBondContact CA-O 3.2Å; P147-T237 HydrophobicContact CB-CG2 4.25Å; P147-L239 HydrophobicContact CB-CD1 4.02Å; P147-L239 HydrophobicContact CB-CG 4.08Å
148	F	84.6	Confident	71.4	Confident	16 Å²	16	89.1 Å²	89.1	7%	0.07	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	157.6	169.8	66.8	-95.8	0	0	0	109.9	L146 I150 V162 E163 I236 T237 V238 L239	L146-F148 PolarHBondContact O-N 3.3Å; F148-I150 HydrophobicContact CE2-CG2 4.34Å; F148-V162 HydrophobicContact CE2-CB 3.92Å; F148-V162 HydrophobicContact CE2-CG2 3.66Å; F148-V162 HydrophobicContact CZ-CG2 3.99Å; F148-E163 HydrophobicContact CD1-CB 3.6Å; F148-E163 HydrophobicContact CD1-CG 3.66Å; F148-E163 HydrophobicContact CD2-CB 4.17Å; F148-E163 HydrophobicContact CE1-CB 3.51Å; F148-E163 HydrophobicContact CE1-CG 3.86Å; F148-E163 HydrophobicContact CE2-CB 4.11Å; F148-E163 HydrophobicContact CG-CB 3.92Å; F148-E163 HydrophobicContact CG-CG 4.24Å; F148-E163 HydrophobicContact CZ-CB 3.77Å; F148-I236 HydrophobicContact CD1-CG2 4.36Å; F148-I236 HydrophobicContact CE1-CG2 3.6Å; F148-I236 HydrophobicContact CZ-CG2 4.35Å; F148-T237 PolarHBondContact N-O 3.3Å; F148-V238 HydrophobicContact CD2-CG1 4.12Å; F148-V238 HydrophobicContact CD2-CG2 4.45Å; F148-V238 HydrophobicContact CE1-CG2 3.96Å; F148-V238 HydrophobicContact CE2-CB 4.33Å; F148-V238 HydrophobicContact CE2-CG1 3.78Å; F148-V238 HydrophobicContact CE2-CG2 3.71Å; F148-V238 HydrophobicContact CZ-CB 4.49Å; F148-V238 HydrophobicContact CZ-CG1 4.4Å; F148-V238 HydrophobicContact CZ-CG2 3.44Å; F148-V238 VanDerWaalsContact CZ-CG2 3.44Å; F148-V238 WeakPolarHBondContact O-CA 3.34Å; F148-L239 PolarHBondContact O-N 2.86Å
149	S	88.5	Confident	74.3	Confident	37 Å²	37	80.7 Å²	80.7	26%	0.259	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	148.9	179.8	28.2	0	0	0	0	112.6	L239 E241	S149-L239 CarbonylContact C-O 3.59Å; S149-L239 VanDerWaalsContact CA-O 3.26Å; S149-L239 WeakPolarHBondContact CA-O 3.34Å; S149-E241 WeakPolarHBondContact CB-OE1 3.14Å; S149-E241 VanDerWaalsContact OG-CD 3.26Å; S149-E241 PolarHBondContact OG-OE1 2.94Å
150	I	91.5	Very high	76.9	Confident	16 Å²	16	78 Å²	78	8%	0.082	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	144	162.7	61.7	174.5	0	0	0	108	F148 V162 F192 V203 V207 V238 L239 V240 E241	F148-I150 HydrophobicContact CE2-CG2 4.34Å; I150-V162 HydrophobicContact CG2-CB 4.23Å; I150-V162 HydrophobicContact CG2-CG1 3.81Å; I150-F192 HydrophobicContact CD1-CE1 3.96Å; I150-F192 HydrophobicContact CD1-CZ 3.73Å; I150-V203 HydrophobicContact CD1-CG2 4.44Å; I150-V207 HydrophobicContact CD1-CG1 3.84Å; I150-V207 HydrophobicContact CG1-CG1 4.32Å; I150-V238 HydrophobicContact CD1-CG1 4.18Å; I150-V238 HydrophobicContact CG1-CG1 3.96Å; I150-V238 HydrophobicContact CG2-CG1 4.03Å; I150-L239 PolarHBondContact N-O 2.89Å; I150-V240 HydrophobicContact CD1-CG2 4.43Å; I150-V240 HydrophobicContact CG1-CG2 4.2Å; I150-V240 CarbonylContact O-C 3.56Å; I150-V240 WeakPolarHBondContact O-CA 3.4Å; I150-E241 PolarHBondContact O-N 2.87Å
151	I	90.9	Very high	79.1	Confident	57 Å²	57	76.1 Å²	76.1	29%	0.292	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	143.4	174.6	-51.4	174	0	0	0	108.1	E241 I243	I151-E241 HydrophobicContact CG1-CB 4.47Å; I151-I243 HydrophobicContact CG2-CG2 3.59Å
152	E	94	Very high	81.6	Confident	2 Å²	2	69.2 Å²	69.2	1%	0.009	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	167.6	173.5	76.8	-178.5	118.7	0	0	114.1	D154 V207 R209 V240 E241 D242 I243	E152-D154 PolarHBondContact O-N 3.07Å; E152-V207 HydrophobicContact CB-CG1 4.15Å; E152-V207 WeakPolarHBondContact CB-O 3.44Å; E152-R209 HydrophobicContact CB-CB 4.31Å; E152-R209 HydrophobicContact CG-CB 4.45Å; E152-R209 VanDerWaalsContact OE1-CB 3.25Å; E152-R209 WeakPolarHBondContact OE1-CB 3.34Å; E152-R209 WeakPolarHBondContact OE2-CB 3.42Å; E152-R209 PolarHBondContact OE2-N 3.22Å; E152-V240 HydrophobicContact CB-CG1 3.64Å; E152-E241 PolarHBondContact N-O 3.36Å; E152-E241 VanDerWaalsContact N-O 3.13Å; E152-D242 WeakPolarHBondContact OE1-CA 3.28Å; E152-I243 HydrophobicContact CG-CB 4.32Å; E152-I243 HydrophobicContact CG-CD1 3.93Å; E152-I243 HydrophobicContact CG-CG1 3.64Å; E152-I243 HydrophobicContact CG-CG2 4.13Å; E152-I243 PolarHBondContact OE1-N 2.82Å
153	Q	90.5	Very high	83.7	Confident	81 Å²	81	64.3 Å²	64.3	38%	0.379	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.6	24.8	-178.5	-52.7	-164.7	21.1	0	0	114.9	V207 I243 D245	Q153-V207 PolarHBondContact N-O 2.87Å; Q153-I243 HydrophobicContact CB-CD1 3.86Å; Q153-I243 HydrophobicContact CG-CD1 4.18Å; Q153-D245 PolarHBondContact NE2-OD2 2.74Å
154	D	90.8	Very high	85.5	Confident	49 Å²	49	60.2 Å²	60.2	26%	0.262	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-62.3	142.6	-164	-177.2	17.4	0	0	0	112.8	E152 F158 K160	E152-D154 PolarHBondContact O-N 3.07Å; D154-F158 HydrophobicContact CB-CZ 4.23Å; D154-F158 WeakPolarHBondContact O-CE2 3.25Å; D154-F158 WeakPolarHBondContact O-CZ 3.27Å; D154-K160 IonicContact OD1-NZ 3.81Å; D154-K160 PolarHBondContact OD1-NZ 2.99Å; D154-K160 VanDerWaalsContact OD2-CD 3.25Å; D154-K160 WeakPolarHBondContact OD2-CD 3.11Å; D154-K160 VanDerWaalsContact OD2-CE 3.31Å; D154-K160 WeakPolarHBondContact OD2-CE 3.15Å; D154-K160 IonicContact OD2-NZ 3.97Å; D154-K160 PolarHBondContact OD2-NZ 2.81Å
155	I	88.8	Confident	87.1	Confident	133 Å²	133	57.3 Å²	57.3	68%	0.682	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-79	131.9	-164	-55.4	176.7	0	0	0	110.1	K160	I155-K160 WeakPolarHBondContact O-CE 3.32Å; I155-K160 PolarHBondContact O-NZ 2.99Å
156	P	87.9	Confident	88	Confident	94 Å²	94	58 Å²	58	61%	0.61	33%	0.334	S	S	*	.	S	Bend	trans	-52.8	155.1	175.7	-28.2	35.5	0	0	0	114.1	F158	P156-F158 HydrophobicContact CB-CD2 4.34Å; P156-F158 HydrophobicContact CG-CD2 4.22Å; P156-F158 HydrophobicContact CG-CE2 4.19Å
157	P	91.6	Very high	88.6	Confident	111 Å²	111	56.7 Å²	56.7	72%	0.721	33%	0.328	S	S	*	.	S	Bend	cis	-85.4	153	17.1	33.1	-36.5	0	0	0	115	K160	P157-K160 WeakPolarHBondContact O-CE 3.38Å; P157-K160 WeakPolarHBondContact O-CG 2.96Å
158	F	90.1	Very high	88.6	Confident	48 Å²	48	59.2 Å²	59.2	21%	0.211	34%	0.339	C	S	.	.			trans	-116.1	157.9	165.7	-69.9	-84.3	0	0	0	109.5	D154 P156 K160 V203 H204 P206	D154-F158 HydrophobicContact CB-CZ 4.23Å; D154-F158 WeakPolarHBondContact O-CE2 3.25Å; D154-F158 WeakPolarHBondContact O-CZ 3.27Å; P156-F158 HydrophobicContact CB-CD2 4.34Å; P156-F158 HydrophobicContact CG-CD2 4.22Å; P156-F158 HydrophobicContact CG-CE2 4.19Å; F158-K160 HydrophobicContact CD1-CD 4.4Å; F158-K160 HydrophobicContact CD1-CG 3.99Å; F158-K160 HydrophobicContact CE1-CD 4.21Å; F158-K160 HydrophobicContact CE1-CG 4.28Å; F158-V203 HydrophobicContact CD1-CG1 4.31Å; F158-V203 HydrophobicContact CE1-CG1 4.13Å; F158-H204 WeakPolarHBondContact CB-O 3.49Å; F158-P206 HydrophobicContact CE2-CB 4.44Å; F158-P206 HydrophobicContact CE2-CG 4.48Å; F158-P206 HydrophobicContact CZ-CB 4.2Å
159	P	92.3	Very high	88.5	Confident	70 Å²	70	59.1 Å²	59.1	46%	0.455	34%	0.341	S	S	.	.			cis	-74.1	154.7	-1.7	31.3	-35.7	0	0	0	113.2	R202 V203	P159-R202 HydrophobicContact CB-CB 4.25Å; P159-V203 CarbonylContact C-O 3.6Å; P159-V203 WeakPolarHBondContact CA-O 3.4Å; P159-V203 WeakPolarHBondContact CB-O 3.42Å
160	K	90.2	Very high	88.2	Confident	54 Å²	54	60.4 Å²	60.4	24%	0.235	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.1	174.9	-58.8	-172.1	-176.8	-166.5	0	110.4	D154 I155 P157 F158 R202 V203	D154-K160 IonicContact OD1-NZ 3.81Å; D154-K160 PolarHBondContact OD1-NZ 2.99Å; D154-K160 VanDerWaalsContact OD2-CD 3.25Å; D154-K160 WeakPolarHBondContact OD2-CD 3.11Å; D154-K160 VanDerWaalsContact OD2-CE 3.31Å; D154-K160 WeakPolarHBondContact OD2-CE 3.15Å; D154-K160 IonicContact OD2-NZ 3.97Å; D154-K160 PolarHBondContact OD2-NZ 2.81Å; I155-K160 WeakPolarHBondContact O-CE 3.32Å; I155-K160 PolarHBondContact O-NZ 2.99Å; P157-K160 WeakPolarHBondContact O-CE 3.38Å; P157-K160 WeakPolarHBondContact O-CG 2.96Å; F158-K160 HydrophobicContact CD1-CD 4.4Å; F158-K160 HydrophobicContact CD1-CG 3.99Å; F158-K160 HydrophobicContact CE1-CD 4.21Å; F158-K160 HydrophobicContact CE1-CG 4.28Å; K160-R202 CarbonylContact O-C 3.56Å; K160-R202 WeakPolarHBondContact O-CA 3.23Å; K160-V203 HydrophobicContact CB-CG1 4.03Å; K160-V203 PolarHBondContact N-O 2.86Å; K160-V203 PolarHBondContact O-N 3.45Å
161	D	90.1	Very high	87.8	Confident	92 Å²	92	65.5 Å²	65.5	49%	0.492	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.8	169.9	-71.9	0	0	0	0	109	M200 R202	D161-M200 HydrophobicContact CB-CE 4.11Å; D161-M200 HydrophobicContact CB-CG 3.99Å; D161-M200 HydrophobicContact CB-SD 3.72Å; D161-R202 WeakPolarHBondContact OD1-CD 3.25Å; D161-R202 VanDerWaalsContact OD1-CG 3.31Å; D161-R202 WeakPolarHBondContact OD1-CG 3.15Å; D161-R202 IonicContact OD1-CZ 3.76Å; D161-R202 IonicContact OD1-NE 2.77Å; D161-R202 PolarHBondContact OD1-NE 3.34Å; D161-R202 IonicContact OD1-NH2 2.67Å
162	V	88.6	Confident	87.4	Confident	43 Å²	43	69 Å²	69	26%	0.261	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-39.8	-173.3	-65.4	0	0	0	0	115.1	F148 I150 V201 V203	F148-V162 HydrophobicContact CE2-CB 3.92Å; F148-V162 HydrophobicContact CE2-CG2 3.66Å; F148-V162 HydrophobicContact CZ-CG2 3.99Å; I150-V162 HydrophobicContact CG2-CB 4.23Å; I150-V162 HydrophobicContact CG2-CG1 3.81Å; V162-V201 HydrophobicContact CG2-CB 4.06Å; V162-V201 HydrophobicContact CG2-CG1 3.8Å; V162-V201 WeakPolarHBondContact CG2-O 3.41Å; V162-V201 PolarHBondContact N-O 2.78Å; V162-V203 HydrophobicContact CG1-CB 4.22Å; V162-V203 HydrophobicContact CG1-CG1 3.69Å
163	E	87.9	Confident	86.8	Confident	59 Å²	59	72.8 Å²	72.8	28%	0.276	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	151.3	176.6	-176.8	57.3	-71.3	0	0	110.7	F148 V201	F148-E163 HydrophobicContact CD1-CB 3.6Å; F148-E163 HydrophobicContact CD1-CG 3.66Å; F148-E163 HydrophobicContact CD2-CB 4.17Å; F148-E163 HydrophobicContact CE1-CB 3.51Å; F148-E163 HydrophobicContact CE1-CG 3.86Å; F148-E163 HydrophobicContact CE2-CB 4.11Å; F148-E163 HydrophobicContact CG-CB 3.92Å; F148-E163 HydrophobicContact CG-CG 4.24Å; F148-E163 HydrophobicContact CZ-CB 3.77Å; E163-V201 WeakPolarHBondContact O-CB 3.36Å; E163-V201 PolarHBondContact O-N 3.42Å
164	L	86.4	Confident	86.7	Confident	97 Å²	97	73.8 Å²	73.8	51%	0.508	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	109	-176.2	-177.8	62.4	0	0	0	112.1	G166 T198 M200	L164-G166 PolarHBondContact O-N 2.84Å; L164-T198 WeakPolarHBondContact CD1-O 3.24Å; L164-M200 HydrophobicContact CB-CE 4.41Å; L164-M200 HydrophobicContact CD1-CB 4.22Å; L164-M200 HydrophobicContact CD1-CE 4.38Å
165	V	86.1	Confident	86.6	Confident	16 Å²	16	72.1 Å²	72.1	10%	0.097	42%	0.42	C	S	.	.			trans	-89.9	98.7	179	-178.4	0	0	0	0	110.1	Y177 G199 V201 A219 I236	V165-Y177 WeakPolarHBondContact O-CE1 3.47Å; V165-G199 PolarHBondContact N-O 3.36Å; V165-G199 WeakPolarHBondContact O-CA 3.49Å; V165-V201 HydrophobicContact CG2-CG2 3.67Å; V165-A219 HydrophobicContact CG1-CB 4.08Å; V165-I236 HydrophobicContact CG1-CD1 4.46Å; V165-I236 HydrophobicContact CG2-CD1 3.57Å
166	G	83.9	Confident	86.7	Confident	61 Å²	61	68 Å²	68	63%	0.629	40%	0.397	S	S	*	.			trans	-101.7	141.8	177.1	0	0	0	0	0	114	L164	L164-G166 PolarHBondContact O-N 2.84Å
167	S	84.4	Confident	86.9	Confident	12 Å²	12	64.1 Å²	64.1	8%	0.084	37%	0.37	C	S	.	.			trans	-111.6	136.6	163.8	169.2	0	0	0	0	111.5	S169 S170 Y177 D231	S167-S169 PolarHBondContact O-N 2.84Å; S167-S169 WeakPolarHBondContact OG-CB 3.28Å; S167-S169 PolarHBondContact OG-N 3.06Å; S167-S169 PolarHBondContact OG-OG 2.85Å; S167-S170 VanDerWaalsContact O-CB 3.22Å; S167-S170 WeakPolarHBondContact O-CB 3.05Å; S167-S170 PolarHBondContact O-N 2.81Å; S167-S170 PolarHBondContact O-OG 2.91Å; S167-Y177 PolarHBondContact N-OH 2.84Å; S167-D231 PolarHBondContact OG-OD2 2.77Å
168	D	82.4	Confident	87	Confident	95 Å²	95	61.1 Å²	61.1	51%	0.508	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-67.4	-16.2	168.8	59.9	-45.8	0	0	0	113.2	K140 S170 V171	K140-D168 WeakPolarHBondContact CE-OD1 3.34Å; K140-D168 VanDerWaalsContact CE-OD2 3.22Å; K140-D168 WeakPolarHBondContact CE-OD2 3.33Å; K140-D168 IonicContact NZ-OD1 2.76Å; K140-D168 PolarHBondContact NZ-OD1 2.72Å; K140-D168 IonicContact NZ-OD2 3.21Å; K140-D168 PolarHBondContact NZ-OD2 2.03Å; D168-S170 PolarHBondContact O-N 2.81Å; D168-S170 VanDerWaalsContact O-N 3.15Å; D168-V171 WeakPolarHBondContact O-CB 3.44Å; D168-V171 WeakPolarHBondContact O-CG2 3.45Å; D168-V171 PolarHBondContact O-N 3.18Å; D168-V171 VanDerWaalsContact O-N 3.07Å
169	S	82.3	Confident	87.1	Confident	15 Å²	15	59.4 Å²	59.4	11%	0.105	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-60.6	-19.8	168.4	-60.8	0	0	0	0	112.9	S167 V171 N172 F173 D231	S167-S169 PolarHBondContact O-N 2.84Å; S167-S169 WeakPolarHBondContact OG-CB 3.28Å; S167-S169 PolarHBondContact OG-N 3.06Å; S167-S169 PolarHBondContact OG-OG 2.85Å; S169-V171 PolarHBondContact O-N 2.75Å; S169-V171 VanDerWaalsContact O-N 3.13Å; S169-N172 PolarHBondContact O-N 2.92Å; S169-F173 PolarHBondContact O-N 2.84Å; S169-D231 WeakPolarHBondContact CB-OD2 3.3Å; S169-D231 PolarHBondContact OG-OD1 2.86Å; S169-D231 PolarHBondContact OG-OD2 3.25Å
170	S	81.9	Confident	87.2	Confident	64 Å²	64	57.9 Å²	57.9	45%	0.448	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-55.5	-23.5	170.8	60.7	0	0	0	0	114.2	S167 D168 N172 F173	S167-S170 VanDerWaalsContact O-CB 3.22Å; S167-S170 WeakPolarHBondContact O-CB 3.05Å; S167-S170 PolarHBondContact O-N 2.81Å; S167-S170 PolarHBondContact O-OG 2.91Å; D168-S170 PolarHBondContact O-N 2.81Å; D168-S170 VanDerWaalsContact O-N 3.15Å; S170-N172 VanDerWaalsContact C-N 3.31Å; S170-F173 CarbonylContact C-O 3.55Å; S170-F173 WeakPolarHBondContact CA-O 3.34Å
171	V	82.6	Confident	87.3	Confident	123 Å²	123	56 Å²	56	75%	0.745	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-70.5	-28.6	176.2	-179.7	0	0	0	0	111.7	D168 S169	D168-V171 WeakPolarHBondContact O-CB 3.44Å; D168-V171 WeakPolarHBondContact O-CG2 3.45Å; D168-V171 PolarHBondContact O-N 3.18Å; D168-V171 VanDerWaalsContact O-N 3.07Å; S169-V171 PolarHBondContact O-N 2.75Å; S169-V171 VanDerWaalsContact O-N 3.13Å
172	N	81.8	Confident	87.4	Confident	130 Å²	130	53.2 Å²	53.2	70%	0.695	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-20.8	-175.2	-66.3	-66.2	0	0	0	113.7	S169 S170	S169-N172 PolarHBondContact O-N 2.92Å; S170-N172 VanDerWaalsContact C-N 3.31Å
173	F	83.3	Confident	87.5	Confident	81 Å²	81	51.1 Å²	51.1	36%	0.355	30%	0.302	S	S	.	.	S	Bend	trans	-137.8	146.1	-175.6	-56.3	-81.3	0	0	0	110.5	S169 S170 V175 D223 T230	S169-F173 PolarHBondContact O-N 2.84Å; S170-F173 CarbonylContact C-O 3.55Å; S170-F173 WeakPolarHBondContact CA-O 3.34Å; F173-V175 VanDerWaalsContact C-N 3.35Å; F173-V175 HydrophobicContact CB-CG1 4.17Å; F173-V175 PolarHBondContact O-N 2.85Å; F173-D223 HydrophobicContact CB-CB 4.2Å; F173-D223 HydrophobicContact CD1-CB 4.19Å; F173-D223 HydrophobicContact CG-CB 4.37Å; F173-T230 HydrophobicContact CB-CG2 4.23Å; F173-T230 HydrophobicContact CD2-CG2 3.89Å; F173-T230 HydrophobicContact CE2-CG2 4.47Å; F173-T230 HydrophobicContact CG-CG2 4.06Å
174	T	87.6	Confident	87.8	Confident	102 Å²	102	49.2 Å²	49.2	63%	0.626	29%	0.294	S	S	*	.			trans	-74	92.9	165.8	-50	0	0	0	0	107.9	R224	T174-R224 HydrophobicContact CG2-CB 4.34Å; T174-R224 WeakPolarHBondContact O-CB 3.36Å; T174-R224 PolarHBondContact O-N 2.85Å
175	V	89.3	Confident	88	Confident	14 Å²	14	48.6 Å²	48.6	9%	0.085	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	160.1	-176.6	-64.5	0	0	0	0	112.8	F173 Y177 V221 F222 T230	F173-V175 VanDerWaalsContact C-N 3.35Å; F173-V175 HydrophobicContact CB-CG1 4.17Å; F173-V175 PolarHBondContact O-N 2.85Å; V175-Y177 HydrophobicContact CG2-CE2 4.18Å; V175-V221 HydrophobicContact CB-CG1 3.67Å; V175-V221 HydrophobicContact CG1-CG1 3.78Å; V175-V221 HydrophobicContact CG2-CG1 4.21Å; V175-F222 CarbonylContact C-O 3.44Å; V175-F222 WeakPolarHBondContact CA-O 3.25Å; V175-T230 HydrophobicContact CG1-CG2 4.17Å
176	Y	90.9	Very high	88.2	Confident	47 Å²	47	53.1 Å²	53.1	18%	0.184	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.7	159.4	68.8	-93.3	0	0	0	110.8	I178 R196 F222 R224	Y176-I178 HydrophobicContact CD2-CG1 4.3Å; Y176-I178 HydrophobicContact CE2-CD1 3.94Å; Y176-I178 HydrophobicContact CE2-CG1 4.12Å; Y176-R196 CarbonylContact C-O 3.6Å; Y176-R196 VanDerWaalsContact CA-O 3.22Å; Y176-R196 WeakPolarHBondContact CA-O 3.35Å; Y176-R196 WeakPolarHBondContact CB-O 3.42Å; Y176-F222 HydrophobicContact CD1-CB 4.09Å; Y176-F222 HydrophobicContact CD2-CB 4.24Å; Y176-F222 HydrophobicContact CD2-CD2 4.48Å; Y176-F222 HydrophobicContact CE1-CB 3.55Å; Y176-F222 HydrophobicContact CE2-CB 3.69Å; Y176-F222 AromaticContact CE2-CD2 3.85Å; Y176-F222 HydrophobicContact CE2-CD2 3.85Å; Y176-F222 AromaticContact CE2-CG 3.94Å; Y176-F222 HydrophobicContact CE2-CG 3.94Å; Y176-F222 HydrophobicContact CG-CB 4.42Å; Y176-F222 AromaticContact CZ-CG 3.83Å; Y176-F222 PolarHBondContact N-O 3.26Å; Y176-F222 PolarHBondContact O-N 3.12Å; Y176-F222 WeakPolarHBondContact OH-CB 3.38Å; Y176-R224 HydrophobicContact CD1-CB 3.96Å; Y176-R224 HydrophobicContact CD1-CG 4.43Å
177	Y	91.5	Very high	88.3	Confident	13 Å²	13	54.5 Å²	54.5	5%	0.051	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.5	-174	-58.5	-86.9	0	0	0	112.3	V165 S167 V175 R196 G199 V221	V165-Y177 WeakPolarHBondContact O-CE1 3.47Å; S167-Y177 PolarHBondContact N-OH 2.84Å; V175-Y177 HydrophobicContact CG2-CE2 4.18Å; Y177-R196 PolarHBondContact N-O 2.71Å; Y177-G199 VanDerWaalsContact CD2-CA 3.44Å; Y177-V221 HydrophobicContact CD1-CG1 4.3Å; Y177-V221 HydrophobicContact CD1-CG2 3.79Å; Y177-V221 HydrophobicContact CE1-CG1 4.05Å; Y177-V221 HydrophobicContact CE1-CG2 3.82Å
178	I	92.8	Very high	88.6	Confident	47 Å²	47	55.5 Å²	55.5	24%	0.241	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.8	167.3	-65.7	-176.2	0	0	0	107.9	Y176 A219 Q220 F222	Y176-I178 HydrophobicContact CD2-CG1 4.3Å; Y176-I178 HydrophobicContact CE2-CD1 3.94Å; Y176-I178 HydrophobicContact CE2-CG1 4.12Å; I178-A219 CarbonylContact O-C 3.54Å; I178-A219 WeakPolarHBondContact O-CA 3.47Å; I178-Q220 PolarHBondContact N-O 3.01Å; I178-Q220 PolarHBondContact O-N 3.38Å; I178-F222 HydrophobicContact CB-CE2 4.23Å; I178-F222 HydrophobicContact CD1-CD2 4.28Å; I178-F222 HydrophobicContact CD1-CE2 3.95Å; I178-F222 HydrophobicContact CG1-CD2 4.41Å; I178-F222 HydrophobicContact CG1-CE2 4.25Å
179	I	93.5	Very high	89	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.062	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.3	165.7	55.8	171.2	0	0	0	109.9	V184 F192 V194 F217 T218 A219	I179-V184 HydrophobicContact CD1-CG1 4.22Å; I179-V184 HydrophobicContact CD1-CG2 3.7Å; I179-V184 HydrophobicContact CG1-CG1 3.89Å; I179-V184 HydrophobicContact CG1-CG2 4.08Å; I179-F192 HydrophobicContact CD1-CB 4.25Å; I179-V194 HydrophobicContact CB-CG1 4.45Å; I179-V194 HydrophobicContact CD1-CB 4.1Å; I179-V194 HydrophobicContact CG1-CB 3.95Å; I179-V194 HydrophobicContact CG1-CG1 3.94Å; I179-V194 HydrophobicContact CG2-CB 4.02Å; I179-V194 HydrophobicContact CG2-CG1 4.13Å; I179-F217 HydrophobicContact CB-CD2 4.04Å; I179-F217 HydrophobicContact CB-CE2 4.41Å; I179-F217 HydrophobicContact CD1-CD2 4.32Å; I179-F217 HydrophobicContact CD1-CE2 4.13Å; I179-F217 HydrophobicContact CG2-CD2 4.05Å; I179-F217 HydrophobicContact CG2-CE2 4.08Å; I179-T218 WeakPolarHBondContact CA-O 3.49Å; I179-A219 HydrophobicContact CG2-CB 3.94Å
180	S	93.9	Very high	89.4	Confident	38 Å²	38	62.3 Å²	62.3	27%	0.266	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	150.7	174.9	65.1	0	0	0	0	111.3	F217 T218	S180-F217 CarbonylContact O-C 3.6Å; S180-F217 WeakPolarHBondContact O-CA 3.44Å; S180-F217 WeakPolarHBondContact O-CB 3.22Å; S180-T218 PolarHBondContact N-O 2.82Å; S180-T218 PolarHBondContact O-N 3.29Å
181	G	92.4	Very high	90	Very high	14 Å²	14	59.7 Å²	59.7	14%	0.144	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128.9	-156.9	-175.4	0	0	0	0	0	113.5	V184 T185 M186	G181-V184 PolarHBondContact O-N 2.8Å; G181-V184 VanDerWaalsContact O-N 3.16Å; G181-T185 PolarHBondContact N-OG1 2.82Å; G181-T185 PolarHBondContact O-N 3.18Å; G181-M186 PolarHBondContact O-N 3.15Å
182	S	92.7	Very high	90.6	Very high	34 Å²	34	54 Å²	54	24%	0.238	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-64.3	138.4	-178.8	-168.9	0	0	0	0	111.4	V184 V216	S182-V184 PolarHBondContact O-N 3.03Å; S182-V216 WeakPolarHBondContact CB-O 3.34Å; S182-V216 PolarHBondContact N-O 3.09Å; S182-V216 VanDerWaalsContact N-O 3.11Å
183	G	90.6	Very high	91.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-2.6	-173.7	0	0	0	0	0	114.7	M186 P188 L191 F192	G183-M186 PolarHBondContact N-O 3.25Å; G183-P188 CarbonylContact C-O 3.48Å; G183-P188 WeakPolarHBondContact CA-O 3.49Å; G183-L191 WeakPolarHBondContact O-CA 3.27Å; G183-L191 WeakPolarHBondContact O-CB 2.87Å; G183-L191 PolarHBondContact O-N 2.85Å; G183-F192 PolarHBondContact O-N 2.76Å
184	V	92.7	Very high	91.8	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.109	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-72.1	-175.8	-172.1	0	0	0	0	111.2	I179 G181 S182 K190 F192 F217	I179-V184 HydrophobicContact CD1-CG1 4.22Å; I179-V184 HydrophobicContact CD1-CG2 3.7Å; I179-V184 HydrophobicContact CG1-CG1 3.89Å; I179-V184 HydrophobicContact CG1-CG2 4.08Å; G181-V184 PolarHBondContact O-N 2.8Å; G181-V184 VanDerWaalsContact O-N 3.16Å; S182-V184 PolarHBondContact O-N 3.03Å; V184-K190 PolarHBondContact O-N 3.25Å; V184-F192 HydrophobicContact CG2-CB 4.12Å; V184-F217 HydrophobicContact CG2-CB 3.97Å; V184-F217 HydrophobicContact CG2-CD1 4.04Å; V184-F217 HydrophobicContact CG2-CG 3.95Å
185	T	91.4	Very high	92.1	Very high	84 Å²	84	43.9 Å²	43.9	52%	0.515	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-0.7	-177	57.6	0	0	0	0	112.3	G181	G181-T185 PolarHBondContact N-OG1 2.82Å; G181-T185 PolarHBondContact O-N 3.18Å
186	M	90.8	Very high	92.2	Very high	112 Å²	112	50.2 Å²	50.2	55%	0.552	26%	0.263	S	S	*	.	B	Isolated β-bridge	trans	-126.6	155	170.9	-65.3	171.6	62.3	0	0	108.2	G181 G183 P188 E189	G181-M186 PolarHBondContact O-N 3.15Å; G183-M186 PolarHBondContact N-O 3.25Å; M186-P188 CarbonylContact O-C 3.52Å; M186-E189 PolarHBondContact O-N 3.4Å
187	P	86.2	Confident	92.1	Very high	90 Å²	90	52.5 Å²	52.5	58%	0.584	28%	0.278	S	S	*	.	S	Bend	trans	-51.2	137.4	179.7	-30	36.8	0	0	0	113.6
188	P	91	Very high	91.8	Very high	33 Å²	33	55.6 Å²	55.6	21%	0.214	30%	0.299	C	S	.	.	S	Bend	cis	-72.3	114.9	-8.5	29.8	-32.4	0	0	0	111	G183 M186 L191 Y212 F215	G183-P188 CarbonylContact C-O 3.48Å; G183-P188 WeakPolarHBondContact CA-O 3.49Å; M186-P188 CarbonylContact O-C 3.52Å; P188-L191 HydrophobicContact CG-CB 4.18Å; P188-L191 HydrophobicContact CG-CD2 3.8Å; P188-Y212 HydrophobicContact CB-CE2 4.42Å; P188-Y212 HydrophobicContact CG-CD2 4.35Å; P188-Y212 HydrophobicContact CG-CE2 4.13Å; P188-F215 HydrophobicContact CG-CE1 3.71Å; P188-F215 HydrophobicContact CG-CZ 4.25Å
189	E	90.6	Very high	91.5	Very high	111 Å²	111	53.3 Å²	53.3	52%	0.519	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	141.1	-175.4	-72.5	-177.5	-154.7	0	0	111.8	M186 L191	M186-E189 PolarHBondContact O-N 3.4Å; E189-L191 PolarHBondContact O-N 2.83Å
190	K	90.8	Very high	91.3	Very high	142 Å²	142	54.6 Å²	54.6	62%	0.617	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	18.6	175.4	-50.5	156.6	-168.3	152.2	0	114.9	V184 F192	V184-K190 PolarHBondContact O-N 3.25Å; K190-F192 VanDerWaalsContact C-N 3.3Å
191	L	94.2	Very high	91.2	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.047	28%	0.281	C	S	.	.	S	Bend	trans	-61.1	-42.6	168.1	177.2	61	0	0	0	110.6	G183 P188 E189 V203 H204 Y205 F215	G183-L191 WeakPolarHBondContact O-CA 3.27Å; G183-L191 WeakPolarHBondContact O-CB 2.87Å; G183-L191 PolarHBondContact O-N 2.85Å; P188-L191 HydrophobicContact CG-CB 4.18Å; P188-L191 HydrophobicContact CG-CD2 3.8Å; E189-L191 PolarHBondContact O-N 2.83Å; L191-V203 HydrophobicContact CD1-CG2 3.72Å; L191-V203 HydrophobicContact CG-CG2 4.12Å; L191-V203 CarbonylContact O-C 3.5Å; L191-V203 WeakPolarHBondContact O-CA 3.47Å; L191-H204 PolarHBondContact O-N 3.25Å; L191-Y205 WeakPolarHBondContact CD1-O 3.47Å; L191-F215 HydrophobicContact CD2-CE1 3.87Å; L191-F215 HydrophobicContact CD2-CE2 3.76Å; L191-F215 HydrophobicContact CD2-CZ 3.37Å
192	F	95	Very high	91.2	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.013	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	149.9	173.8	-54.2	-85.7	0	0	0	113	I150 I179 G183 V184 K190 V201 R202 V203 F215 F217 V238	I150-F192 HydrophobicContact CD1-CE1 3.96Å; I150-F192 HydrophobicContact CD1-CZ 3.73Å; I179-F192 HydrophobicContact CD1-CB 4.25Å; G183-F192 PolarHBondContact O-N 2.76Å; V184-F192 HydrophobicContact CG2-CB 4.12Å; K190-F192 VanDerWaalsContact C-N 3.3Å; F192-V201 HydrophobicContact CB-CG1 4.5Å; F192-V201 HydrophobicContact CD1-CG1 4.38Å; F192-R202 CarbonylContact C-O 3.54Å; F192-R202 VanDerWaalsContact CA-O 3.22Å; F192-R202 WeakPolarHBondContact CA-O 3.11Å; F192-V203 HydrophobicContact CD1-CB 4.05Å; F192-V203 HydrophobicContact CD1-CG2 4.24Å; F192-V203 HydrophobicContact CE1-CB 4.04Å; F192-V203 HydrophobicContact CE1-CG2 4Å; F192-F215 HydrophobicContact CE2-CB 4.04Å; F192-F215 HydrophobicContact CE2-CD1 4.25Å; F192-F215 AromaticContact CE2-CD2 3.49Å; F192-F215 HydrophobicContact CE2-CD2 3.49Å; F192-F215 VanDerWaalsContact CE2-CD2 3.49Å; F192-F215 AromaticContact CE2-CE2 3.97Å; F192-F215 HydrophobicContact CE2-CE2 3.97Å; F192-F215 AromaticContact CE2-CG 3.64Å; F192-F215 HydrophobicContact CE2-CG 3.64Å; F192-F215 AromaticContact CZ-CD2 3.66Å; F192-F215 HydrophobicContact CZ-CD2 3.66Å; F192-F215 HydrophobicContact CZ-CE2 4.07Å; F192-F215 HydrophobicContact CZ-CG 4.26Å; F192-F217 HydrophobicContact CB-CE1 4.28Å; F192-F217 HydrophobicContact CD1-CE1 4.34Å; F192-F217 HydrophobicContact CD2-CD1 4.26Å; F192-F217 AromaticContact CD2-CE1 3.83Å; F192-F217 HydrophobicContact CD2-CE1 3.83Å; F192-F217 HydrophobicContact CE2-CE1 4.23Å; F192-F217 AromaticContact CG-CE1 3.9Å; F192-F217 HydrophobicContact CG-CE1 3.9Å; F192-F217 HydrophobicContact CG-CZ 4.47Å; F192-V238 HydrophobicContact CE1-CG1 4.24Å; F192-V238 HydrophobicContact CE1-CG2 4.41Å; F192-V238 HydrophobicContact CZ-CB 4.29Å; F192-V238 HydrophobicContact CZ-CG1 4.01Å; F192-V238 HydrophobicContact CZ-CG2 4.31Å
193	S	94.9	Very high	91.3	Very high	37 Å²	37	53.8 Å²	53.8	26%	0.259	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.8	168.9	72	0	0	0	0	111.1	V201 R202 H204	S193-V201 WeakPolarHBondContact O-CA 3.26Å; S193-R202 PolarHBondContact N-O 3.48Å; S193-R202 PolarHBondContact O-N 2.97Å; S193-H204 WeakPolarHBondContact CB-NE2 3.33Å; S193-H204 PolarHBondContact OG-NE2 2.76Å
194	V	94.3	Very high	91.4	Very high	19 Å²	19	56.6 Å²	56.6	12%	0.115	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.1	166.2	75.3	0	0	0	0	111.1	I179 R196 M200 V201	I179-V194 HydrophobicContact CB-CG1 4.45Å; I179-V194 HydrophobicContact CD1-CB 4.1Å; I179-V194 HydrophobicContact CG1-CB 3.95Å; I179-V194 HydrophobicContact CG1-CG1 3.94Å; I179-V194 HydrophobicContact CG2-CB 4.02Å; I179-V194 HydrophobicContact CG2-CG1 4.13Å; V194-R196 PolarHBondContact O-N 3.01Å; V194-M200 WeakPolarHBondContact CA-O 3.37Å; V194-V201 HydrophobicContact CG2-CG2 4.23Å
195	D	93.8	Very high	91.4	Very high	45 Å²	45	62.8 Å²	62.8	24%	0.241	31%	0.311	C	S	.	.			trans	-67.4	112.6	166	-171.4	-71.6	0	0	0	109.2	D197 T198 G199 M200 R202	D195-D197 VanDerWaalsContact C-N 3.25Å; D195-D197 PolarHBondContact O-N 3.43Å; D195-D197 VanDerWaalsContact O-N 3.15Å; D195-T198 VanDerWaalsContact CB-OG1 3.25Å; D195-T198 WeakPolarHBondContact CB-OG1 3.38Å; D195-T198 PolarHBondContact O-N 3.04Å; D195-T198 PolarHBondContact OD1-N 2.78Å; D195-T198 VanDerWaalsContact OD1-N 3.13Å; D195-T198 PolarHBondContact OD1-OG1 3.35Å; D195-G199 WeakPolarHBondContact O-CA 3.36Å; D195-G199 PolarHBondContact O-N 2.92Å; D195-M200 HydrophobicContact CB-CB 4.02Å; D195-M200 WeakPolarHBondContact CB-O 3.18Å; D195-M200 PolarHBondContact N-O 2.86Å; D195-R202 IonicContact OD2-CZ 3.78Å; D195-R202 IonicContact OD2-NH1 3.69Å; D195-R202 PolarHBondContact OD2-NH1 3.33Å; D195-R202 IonicContact OD2-NH2 3.61Å; D195-R202 PolarHBondContact OD2-NH2 3.38Å
196	R	91.8	Very high	91.4	Very high	146 Å²	146	62.2 Å²	62.2	55%	0.551	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-27.9	-164.7	-75.6	-171.1	141.6	-150.9	-4.9	114.9	Y176 Y177 V194	Y176-R196 CarbonylContact C-O 3.6Å; Y176-R196 VanDerWaalsContact CA-O 3.22Å; Y176-R196 WeakPolarHBondContact CA-O 3.35Å; Y176-R196 WeakPolarHBondContact CB-O 3.42Å; Y177-R196 PolarHBondContact N-O 2.71Å; V194-R196 PolarHBondContact O-N 3.01Å
197	D	88.3	Confident	91.6	Very high	95 Å²	95	57.4 Å²	57.4	51%	0.508	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-23.8	-173.6	-71.3	-39	0	0	0	112.8	D195 R224	D195-D197 VanDerWaalsContact C-N 3.25Å; D195-D197 PolarHBondContact O-N 3.43Å; D195-D197 VanDerWaalsContact O-N 3.15Å; D197-R224 IonicContact OD1-CZ 3.37Å; D197-R224 IonicContact OD1-NE 3.63Å; D197-R224 IonicContact OD1-NH2 3.24Å; D197-R224 PolarHBondContact OD1-NH2 3.02Å; D197-R224 IonicContact OD2-NH2 2.68Å; D197-R224 PolarHBondContact OD2-NH2 3.26Å
198	T	87.1	Confident	92	Very high	78 Å²	78	56 Å²	56	48%	0.479	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-24.8	176.3	61.7	0	0	0	0	114.3	L164 D195 M200	L164-T198 WeakPolarHBondContact CD1-O 3.24Å; D195-T198 VanDerWaalsContact CB-OG1 3.25Å; D195-T198 WeakPolarHBondContact CB-OG1 3.38Å; D195-T198 PolarHBondContact O-N 3.04Å; D195-T198 PolarHBondContact OD1-N 2.78Å; D195-T198 VanDerWaalsContact OD1-N 3.13Å; D195-T198 PolarHBondContact OD1-OG1 3.35Å; T198-M200 VanDerWaalsContact C-N 3.34Å; T198-M200 PolarHBondContact OG1-N 2.73Å
199	G	85.8	Confident	92.1	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.269	C	S	.	.			trans	83.6	4	-173.7	0	0	0	0	0	114.5	V165 Y177 D195 V201	V165-G199 PolarHBondContact N-O 3.36Å; V165-G199 WeakPolarHBondContact O-CA 3.49Å; Y177-G199 VanDerWaalsContact CD2-CA 3.44Å; D195-G199 WeakPolarHBondContact O-CA 3.36Å; D195-G199 PolarHBondContact O-N 2.92Å; G199-V201 PolarHBondContact O-N 2.83Å
200	M	89.3	Confident	92.3	Very high	39 Å²	39	53.3 Å²	53.3	19%	0.192	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	120	178.8	-178.7	58.1	82	0	0	111.2	D161 L164 V194 D195 T198 R202	D161-M200 HydrophobicContact CB-CE 4.11Å; D161-M200 HydrophobicContact CB-CG 3.99Å; D161-M200 HydrophobicContact CB-SD 3.72Å; L164-M200 HydrophobicContact CB-CE 4.41Å; L164-M200 HydrophobicContact CD1-CB 4.22Å; L164-M200 HydrophobicContact CD1-CE 4.38Å; V194-M200 WeakPolarHBondContact CA-O 3.37Å; D195-M200 HydrophobicContact CB-CB 4.02Å; D195-M200 WeakPolarHBondContact CB-O 3.18Å; D195-M200 PolarHBondContact N-O 2.86Å; T198-M200 VanDerWaalsContact C-N 3.34Å; T198-M200 PolarHBondContact OG1-N 2.73Å; M200-R202 HydrophobicContact CG-CG 4.35Å
201	V	91.3	Very high	92.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	136.5	172.2	-177.3	0	0	0	0	109.1	V162 E163 V165 F192 S193 V194 G199 F217	V162-V201 HydrophobicContact CG2-CB 4.06Å; V162-V201 HydrophobicContact CG2-CG1 3.8Å; V162-V201 WeakPolarHBondContact CG2-O 3.41Å; V162-V201 PolarHBondContact N-O 2.78Å; E163-V201 WeakPolarHBondContact O-CB 3.36Å; E163-V201 PolarHBondContact O-N 3.42Å; V165-V201 HydrophobicContact CG2-CG2 3.67Å; F192-V201 HydrophobicContact CB-CG1 4.5Å; F192-V201 HydrophobicContact CD1-CG1 4.38Å; S193-V201 WeakPolarHBondContact O-CA 3.26Å; V194-V201 HydrophobicContact CG2-CG2 4.23Å; G199-V201 PolarHBondContact O-N 2.83Å; V201-F217 HydrophobicContact CG1-CZ 4.1Å
202	R	93.3	Very high	92.4	Very high	63 Å²	63	55.1 Å²	55.1	24%	0.238	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.1	179.7	-56.7	-172.1	169	106.7	14	111.7	P159 K160 D161 F192 S193 D195 M200	P159-R202 HydrophobicContact CB-CB 4.25Å; K160-R202 CarbonylContact O-C 3.56Å; K160-R202 WeakPolarHBondContact O-CA 3.23Å; D161-R202 WeakPolarHBondContact OD1-CD 3.25Å; D161-R202 VanDerWaalsContact OD1-CG 3.31Å; D161-R202 WeakPolarHBondContact OD1-CG 3.15Å; D161-R202 IonicContact OD1-CZ 3.76Å; D161-R202 IonicContact OD1-NE 2.77Å; D161-R202 PolarHBondContact OD1-NE 3.34Å; D161-R202 IonicContact OD1-NH2 2.67Å; F192-R202 CarbonylContact C-O 3.54Å; F192-R202 VanDerWaalsContact CA-O 3.22Å; F192-R202 WeakPolarHBondContact CA-O 3.11Å; S193-R202 PolarHBondContact N-O 3.48Å; S193-R202 PolarHBondContact O-N 2.97Å; D195-R202 IonicContact OD2-CZ 3.78Å; D195-R202 IonicContact OD2-NH1 3.69Å; D195-R202 PolarHBondContact OD2-NH1 3.33Å; D195-R202 IonicContact OD2-NH2 3.61Å; D195-R202 PolarHBondContact OD2-NH2 3.38Å; M200-R202 HydrophobicContact CG-CG 4.35Å
203	V	94.8	Very high	92.3	Very high	6 Å²	6	58.4 Å²	58.4	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	138.8	168.3	67.6	0	0	0	0	110.3	I150 F158 P159 K160 V162 L191 F192 Y205	I150-V203 HydrophobicContact CD1-CG2 4.44Å; F158-V203 HydrophobicContact CD1-CG1 4.31Å; F158-V203 HydrophobicContact CE1-CG1 4.13Å; P159-V203 CarbonylContact C-O 3.6Å; P159-V203 WeakPolarHBondContact CA-O 3.4Å; P159-V203 WeakPolarHBondContact CB-O 3.42Å; K160-V203 HydrophobicContact CB-CG1 4.03Å; K160-V203 PolarHBondContact N-O 2.86Å; K160-V203 PolarHBondContact O-N 3.45Å; V162-V203 HydrophobicContact CG1-CB 4.22Å; V162-V203 HydrophobicContact CG1-CG1 3.69Å; L191-V203 HydrophobicContact CD1-CG2 3.72Å; L191-V203 HydrophobicContact CG-CG2 4.12Å; L191-V203 CarbonylContact O-C 3.5Å; L191-V203 WeakPolarHBondContact O-CA 3.47Å; F192-V203 HydrophobicContact CD1-CB 4.05Å; F192-V203 HydrophobicContact CD1-CG2 4.24Å; F192-V203 HydrophobicContact CE1-CB 4.04Å; F192-V203 HydrophobicContact CE1-CG2 4Å; V203-Y205 WeakPolarHBondContact CG2-O 3.25Å
204	H	93	Very high	92.3	Very high	58 Å²	58	63 Å²	63	27%	0.269	30%	0.301	S	S	.	.			trans	-105.5	-18.6	-171.5	-74.8	-91.7	0	0	0	115.5	F158 L191 S193	F158-H204 WeakPolarHBondContact CB-O 3.49Å; L191-H204 PolarHBondContact O-N 3.25Å; S193-H204 WeakPolarHBondContact CB-NE2 3.33Å; S193-H204 PolarHBondContact OG-NE2 2.76Å
205	Y	92.3	Very high	92.2	Very high	148 Å²	148	62.1 Å²	62.1	58%	0.58	30%	0.296	S	S	*	.	S	Bend	trans	-143.7	156.3	-173.8	-59.8	-70	0	0	0	109.5	L191 V203	L191-Y205 WeakPolarHBondContact CD1-O 3.47Å; V203-Y205 WeakPolarHBondContact CG2-O 3.25Å
206	P	92.3	Very high	92.2	Very high	72 Å²	72	63.3 Å²	63.3	47%	0.468	31%	0.305	S	S	.	.			trans	-60.9	150.5	165.9	28.3	-34.3	0	0	0	110.2	F158	F158-P206 HydrophobicContact CE2-CB 4.44Å; F158-P206 HydrophobicContact CE2-CG 4.48Å; F158-P206 HydrophobicContact CZ-CB 4.2Å
207	V	93.3	Very high	92.3	Very high	11 Å²	11	56.4 Å²	56.4	7%	0.067	28%	0.279	C	S	.	.			trans	-108.6	160.2	171.4	62.3	0	0	0	0	109.7	I150 E152 Q153 F215 V240	I150-V207 HydrophobicContact CD1-CG1 3.84Å; I150-V207 HydrophobicContact CG1-CG1 4.32Å; E152-V207 HydrophobicContact CB-CG1 4.15Å; E152-V207 WeakPolarHBondContact CB-O 3.44Å; Q153-V207 PolarHBondContact N-O 2.87Å; V207-F215 HydrophobicContact CG2-CE2 3.81Å; V207-F215 HydrophobicContact CG2-CZ 3.66Å; V207-V240 HydrophobicContact CG1-CG1 3.7Å; V207-V240 HydrophobicContact CG1-CG2 3.99Å; V207-V240 HydrophobicContact CG2-CG2 4.12Å
208	D	94.5	Very high	92.5	Very high	62 Å²	62	53.6 Å²	53.6	33%	0.332	27%	0.265	S	S	.	.			trans	-118.5	119	174.6	177.2	104.5	0	0	0	106.4	Q211 Y212	D208-Q211 HydrophobicContact CB-CB 4.38Å; D208-Q211 PolarHBondContact O-N 3.02Å; D208-Q211 WeakPolarHBondContact OD2-CB 3.27Å; D208-Q211 PolarHBondContact OD2-N 3.26Å; D208-Y212 PolarHBondContact O-N 2.78Å
209	R	94.8	Very high	92.7	Very high	33 Å²	33	50 Å²	50	13%	0.125	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-34.5	-170.8	-172	-142.6	72	117.4	-6.2	111.4	E152 Q211 Y212 P213 V240 D242 K276 D277 E278	E152-R209 HydrophobicContact CB-CB 4.31Å; E152-R209 HydrophobicContact CG-CB 4.45Å; E152-R209 VanDerWaalsContact OE1-CB 3.25Å; E152-R209 WeakPolarHBondContact OE1-CB 3.34Å; E152-R209 WeakPolarHBondContact OE2-CB 3.42Å; E152-R209 PolarHBondContact OE2-N 3.22Å; R209-Q211 PolarHBondContact O-N 2.75Å; R209-Y212 CarbonylContact O-C 3.51Å; R209-Y212 PolarHBondContact O-N 2.95Å; R209-Y212 VanDerWaalsContact O-N 3.15Å; R209-P213 HydrophobicContact CG-CB 4.18Å; R209-P213 WeakPolarHBondContact O-CA 3.46Å; R209-P213 WeakPolarHBondContact O-CD 3.35Å; R209-V240 HydrophobicContact CB-CB 4.37Å; R209-V240 HydrophobicContact CB-CG1 3.74Å; R209-V240 HydrophobicContact CG-CB 4.04Å; R209-V240 HydrophobicContact CG-CG1 3.87Å; R209-D242 WeakPolarHBondContact CD-OD1 3.41Å; R209-D242 IonicContact CZ-OD1 3.25Å; R209-D242 VanDerWaalsContact CZ-OD1 3.22Å; R209-D242 IonicContact NE-OD1 2.67Å; R209-D242 PolarHBondContact NE-OD1 2.76Å; R209-D242 IonicContact NH1-OD1 3.11Å; R209-D242 IonicContact NH2-OD1 2.63Å; R209-K276 PolarHBondContact NH2-O 2.86Å; R209-D277 PolarHBondContact NH2-O 2.64Å; R209-E278 VanDerWaalsContact NH1-CA 3.31Å; R209-E278 VanDerWaalsContact NH1-CB 3.34Å
210	E	94.6	Very high	92.9	Very high	53 Å²	53	52.1 Å²	52.1	25%	0.248	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-34.5	175.2	-76.3	52.7	-111.8	0	0	111.2	K276	E210-K276 HydrophobicContact CG-CB 3.89Å; E210-K276 HydrophobicContact CG-CD 4.33Å
211	Q	93.3	Very high	93	Very high	123 Å²	123	50.9 Å²	50.9	58%	0.575	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-38.7	171.8	-162.7	177.1	24.5	0	0	113.4	D208 R209	D208-Q211 HydrophobicContact CB-CB 4.38Å; D208-Q211 PolarHBondContact O-N 3.02Å; D208-Q211 WeakPolarHBondContact OD2-CB 3.27Å; D208-Q211 PolarHBondContact OD2-N 3.26Å; R209-Q211 PolarHBondContact O-N 2.75Å
212	Y	93.6	Very high	93	Very high	67 Å²	67	52.3 Å²	52.3	26%	0.263	25%	0.254	S	S	.	.			trans	-142.6	79.4	-172.7	-58.3	-70.4	0	0	0	113.7	P188 D208 R209 K214 F215 V240	P188-Y212 HydrophobicContact CB-CE2 4.42Å; P188-Y212 HydrophobicContact CG-CD2 4.35Å; P188-Y212 HydrophobicContact CG-CE2 4.13Å; D208-Y212 PolarHBondContact O-N 2.78Å; R209-Y212 CarbonylContact O-C 3.51Å; R209-Y212 PolarHBondContact O-N 2.95Å; R209-Y212 VanDerWaalsContact O-N 3.15Å; Y212-K214 PolarHBondContact O-N 3Å; Y212-F215 VanDerWaalsContact CB-CZ 3.44Å; Y212-F215 HydrophobicContact CD1-CE1 4.18Å; Y212-F215 HydrophobicContact CD2-CZ 4.49Å; Y212-F215 AromaticContact CG-CE1 3.95Å; Y212-F215 HydrophobicContact CG-CE1 3.95Å; Y212-F215 HydrophobicContact CG-CZ 4Å; Y212-V240 WeakPolarHBondContact O-CG2 3Å
213	P	92.9	Very high	92.9	Very high	72 Å²	72	49.5 Å²	49.5	47%	0.468	24%	0.244	S	C	.	.	S	Bend	trans	-72.4	-14.6	-174.5	28.1	-35.3	0	0	0	114.2	R209 V240	R209-P213 HydrophobicContact CG-CB 4.18Å; R209-P213 WeakPolarHBondContact O-CA 3.46Å; R209-P213 WeakPolarHBondContact O-CD 3.35Å; P213-V240 PolarHBondContact O-N 2.86Å
214	K	93.7	Very high	92.6	Very high	133 Å²	133	56 Å²	56	58%	0.578	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.1	152.4	173.1	65.6	-171.7	177.9	-169.3	0	112.4	Y212 V238 L239	Y212-K214 PolarHBondContact O-N 3Å; K214-V238 CarbonylContact C-O 3.54Å; K214-V238 WeakPolarHBondContact CA-O 3.29Å; K214-V238 WeakPolarHBondContact CB-O 3.43Å; K214-L239 HydrophobicContact CB-CD2 4.11Å
215	F	93.9	Very high	92.2	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.3	169.2	-54.3	-82.3	0	0	0	110.8	P188 L191 F192 V207 Y212 T237 V238 V240	P188-F215 HydrophobicContact CG-CE1 3.71Å; P188-F215 HydrophobicContact CG-CZ 4.25Å; L191-F215 HydrophobicContact CD2-CE1 3.87Å; L191-F215 HydrophobicContact CD2-CE2 3.76Å; L191-F215 HydrophobicContact CD2-CZ 3.37Å; F192-F215 HydrophobicContact CE2-CB 4.04Å; F192-F215 HydrophobicContact CE2-CD1 4.25Å; F192-F215 AromaticContact CE2-CD2 3.49Å; F192-F215 HydrophobicContact CE2-CD2 3.49Å; F192-F215 VanDerWaalsContact CE2-CD2 3.49Å; F192-F215 AromaticContact CE2-CE2 3.97Å; F192-F215 HydrophobicContact CE2-CE2 3.97Å; F192-F215 AromaticContact CE2-CG 3.64Å; F192-F215 HydrophobicContact CE2-CG 3.64Å; F192-F215 AromaticContact CZ-CD2 3.66Å; F192-F215 HydrophobicContact CZ-CD2 3.66Å; F192-F215 HydrophobicContact CZ-CE2 4.07Å; F192-F215 HydrophobicContact CZ-CG 4.26Å; V207-F215 HydrophobicContact CG2-CE2 3.81Å; V207-F215 HydrophobicContact CG2-CZ 3.66Å; Y212-F215 VanDerWaalsContact CB-CZ 3.44Å; Y212-F215 HydrophobicContact CD1-CE1 4.18Å; Y212-F215 HydrophobicContact CD2-CZ 4.49Å; Y212-F215 AromaticContact CG-CE1 3.95Å; Y212-F215 HydrophobicContact CG-CE1 3.95Å; Y212-F215 HydrophobicContact CG-CZ 4Å; F215-T237 WeakPolarHBondContact O-CA 3.44Å; F215-V238 HydrophobicContact CB-CB 4.37Å; F215-V238 HydrophobicContact CD2-CB 4.49Å; F215-V238 PolarHBondContact N-O 2.8Å; F215-V238 PolarHBondContact O-N 3.02Å; F215-V240 HydrophobicContact CD2-CG2 4.34Å; F215-V240 HydrophobicContact CE2-CG2 3.83Å
216	V	92.8	Very high	91.9	Very high	70 Å²	70	59.4 Å²	59.4	42%	0.424	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123.6	168.6	-175.3	0	0	0	0	108.2	S182 I236 T237	S182-V216 WeakPolarHBondContact CB-O 3.34Å; S182-V216 PolarHBondContact N-O 3.09Å; S182-V216 VanDerWaalsContact N-O 3.11Å; V216-I236 WeakPolarHBondContact CA-O 3.39Å; V216-T237 HydrophobicContact CG2-CG2 4.39Å
217	F	93	Very high	91.5	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149.5	174.8	56.7	-104.4	0	0	0	110.6	I179 S180 V184 F192 V201 I236 V238	I179-F217 HydrophobicContact CB-CD2 4.04Å; I179-F217 HydrophobicContact CB-CE2 4.41Å; I179-F217 HydrophobicContact CD1-CD2 4.32Å; I179-F217 HydrophobicContact CD1-CE2 4.13Å; I179-F217 HydrophobicContact CG2-CD2 4.05Å; I179-F217 HydrophobicContact CG2-CE2 4.08Å; S180-F217 CarbonylContact O-C 3.6Å; S180-F217 WeakPolarHBondContact O-CA 3.44Å; S180-F217 WeakPolarHBondContact O-CB 3.22Å; V184-F217 HydrophobicContact CG2-CB 3.97Å; V184-F217 HydrophobicContact CG2-CD1 4.04Å; V184-F217 HydrophobicContact CG2-CG 3.95Å; F192-F217 HydrophobicContact CB-CE1 4.28Å; F192-F217 HydrophobicContact CD1-CE1 4.34Å; F192-F217 HydrophobicContact CD2-CD1 4.26Å; F192-F217 AromaticContact CD2-CE1 3.83Å; F192-F217 HydrophobicContact CD2-CE1 3.83Å; F192-F217 HydrophobicContact CE2-CE1 4.23Å; F192-F217 AromaticContact CG-CE1 3.9Å; F192-F217 HydrophobicContact CG-CE1 3.9Å; F192-F217 HydrophobicContact CG-CZ 4.47Å; V201-F217 HydrophobicContact CG1-CZ 4.1Å; F217-I236 HydrophobicContact CD2-CB 4.02Å; F217-I236 HydrophobicContact CD2-CD1 4.23Å; F217-I236 HydrophobicContact CD2-CG2 4.38Å; F217-I236 HydrophobicContact CE2-CB 3.78Å; F217-I236 HydrophobicContact CE2-CD1 3.73Å; F217-I236 HydrophobicContact CE2-CG1 4.36Å; F217-I236 HydrophobicContact CE2-CG2 3.71Å; F217-I236 HydrophobicContact CZ-CB 4.34Å; F217-I236 HydrophobicContact CZ-CG2 3.79Å; F217-I236 PolarHBondContact N-O 3.2Å; F217-I236 WeakPolarHBondContact O-CB 3.44Å; F217-I236 PolarHBondContact O-N 3.35Å; F217-V238 HydrophobicContact CE1-CG2 3.53Å; F217-V238 HydrophobicContact CZ-CG2 3.85Å
218	T	92.7	Very high	91.2	Very high	35 Å²	35	64.8 Å²	64.8	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.9	-177	-48.3	0	0	0	0	109.9	I179 S180 P233 L234 D235	I179-T218 WeakPolarHBondContact CA-O 3.49Å; S180-T218 PolarHBondContact N-O 2.82Å; S180-T218 PolarHBondContact O-N 3.29Å; T218-P233 HydrophobicContact CG2-CB 3.47Å; T218-P233 VanDerWaalsContact CG2-CB 3.47Å; T218-L234 WeakPolarHBondContact CA-O 3.37Å; T218-D235 WeakPolarHBondContact CB-OD1 3.41Å; T218-D235 WeakPolarHBondContact CG2-OD1 3.33Å; T218-D235 PolarHBondContact OG1-OD1 2.87Å
219	A	91.1	Very high	90.9	Very high	3 Å²	3	66.3 Å²	66.3	3%	0.025	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	140.8	168.5	0	0	0	0	0	111.4	V165 I178 I179 P233 L234 I236	V165-A219 HydrophobicContact CG1-CB 4.08Å; I178-A219 CarbonylContact O-C 3.54Å; I178-A219 WeakPolarHBondContact O-CA 3.47Å; I179-A219 HydrophobicContact CG2-CB 3.94Å; A219-P233 WeakPolarHBondContact O-CA 3.4Å; A219-L234 PolarHBondContact N-O 3.01Å; A219-L234 PolarHBondContact O-N 3.07Å; A219-I236 HydrophobicContact CB-CD1 3.69Å
220	Q	91.8	Very high	90.4	Very high	44 Å²	44	66.5 Å²	66.5	21%	0.206	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144	177.3	-67.5	170.5	-81.5	0	0	109.4	I178 F222 E229 P233	I178-Q220 PolarHBondContact N-O 3.01Å; I178-Q220 PolarHBondContact O-N 3.38Å; Q220-F222 HydrophobicContact CB-CD2 4.39Å; Q220-F222 HydrophobicContact CB-CE2 3.55Å; Q220-F222 HydrophobicContact CB-CZ 4.1Å; Q220-E229 PolarHBondContact NE2-OE1 2.91Å; Q220-P233 HydrophobicContact CG-CB 4.06Å; Q220-P233 HydrophobicContact CG-CG 4.15Å
221	V	90.8	Very high	89.9	Confident	13 Å²	13	65.6 Å²	65.6	8%	0.079	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.1	-173.5	-169.7	0	0	0	0	109.4	V175 Y177 E229 T230	V175-V221 HydrophobicContact CB-CG1 3.67Å; V175-V221 HydrophobicContact CG1-CG1 3.78Å; V175-V221 HydrophobicContact CG2-CG1 4.21Å; Y177-V221 HydrophobicContact CD1-CG1 4.3Å; Y177-V221 HydrophobicContact CD1-CG2 3.79Å; Y177-V221 HydrophobicContact CE1-CG1 4.05Å; Y177-V221 HydrophobicContact CE1-CG2 3.82Å; V221-E229 CarbonylContact O-C 3.43Å; V221-E229 VanDerWaalsContact O-CA 3.25Å; V221-E229 WeakPolarHBondContact O-CA 3.33Å; V221-T230 WeakPolarHBondContact CG1-OG1 3.01Å; V221-T230 PolarHBondContact O-N 2.9Å; V221-T230 PolarHBondContact O-OG1 2.82Å
222	F	91	Very high	89.5	Confident	30 Å²	30	69 Å²	69	13%	0.132	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.1	-172.1	-63.9	-97.7	0	0	0	111.9	V175 Y176 I178 Q220 R224 K228 E229	V175-F222 CarbonylContact C-O 3.44Å; V175-F222 WeakPolarHBondContact CA-O 3.25Å; Y176-F222 HydrophobicContact CD1-CB 4.09Å; Y176-F222 HydrophobicContact CD2-CB 4.24Å; Y176-F222 HydrophobicContact CD2-CD2 4.48Å; Y176-F222 HydrophobicContact CE1-CB 3.55Å; Y176-F222 HydrophobicContact CE2-CB 3.69Å; Y176-F222 AromaticContact CE2-CD2 3.85Å; Y176-F222 HydrophobicContact CE2-CD2 3.85Å; Y176-F222 AromaticContact CE2-CG 3.94Å; Y176-F222 HydrophobicContact CE2-CG 3.94Å; Y176-F222 HydrophobicContact CG-CB 4.42Å; Y176-F222 AromaticContact CZ-CG 3.83Å; Y176-F222 PolarHBondContact N-O 3.26Å; Y176-F222 PolarHBondContact O-N 3.12Å; Y176-F222 WeakPolarHBondContact OH-CB 3.38Å; I178-F222 HydrophobicContact CB-CE2 4.23Å; I178-F222 HydrophobicContact CD1-CD2 4.28Å; I178-F222 HydrophobicContact CD1-CE2 3.95Å; I178-F222 HydrophobicContact CG1-CD2 4.41Å; I178-F222 HydrophobicContact CG1-CE2 4.25Å; Q220-F222 HydrophobicContact CB-CD2 4.39Å; Q220-F222 HydrophobicContact CB-CE2 3.55Å; Q220-F222 HydrophobicContact CB-CZ 4.1Å; F222-R224 PolarHBondContact O-N 2.87Å; F222-K228 CarbonylContact C-O 3.59Å; F222-K228 VanDerWaalsContact CA-O 3.29Å; F222-K228 WeakPolarHBondContact CA-O 3.38Å; F222-E229 HydrophobicContact CD1-CG 3.9Å; F222-E229 HydrophobicContact CE1-CG 3.45Å; F222-E229 VanDerWaalsContact CE1-CG 3.45Å; F222-E229 HydrophobicContact CZ-CG 3.85Å
223	D	91.1	Very high	89.2	Confident	5 Å²	5	68 Å²	68	3%	0.027	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.9	169.7	164.3	32	0	0	0	110.2	F173 R225 S226 G227 K228 T230	F173-D223 HydrophobicContact CB-CB 4.2Å; F173-D223 HydrophobicContact CD1-CB 4.19Å; F173-D223 HydrophobicContact CG-CB 4.37Å; D223-R225 PolarHBondContact O-N 2.77Å; D223-R225 VanDerWaalsContact O-N 3.08Å; D223-R225 WeakPolarHBondContact OD1-CB 3.48Å; D223-R225 PolarHBondContact OD1-N 3.29Å; D223-S226 PolarHBondContact O-N 2.91Å; D223-S226 WeakPolarHBondContact OD2-CB 3.48Å; D223-S226 PolarHBondContact OD2-N 2.93Å; D223-S226 PolarHBondContact OD2-OG 2.61Å; D223-G227 WeakPolarHBondContact O-CA 3.22Å; D223-G227 PolarHBondContact O-N 2.92Å; D223-K228 PolarHBondContact N-O 2.52Å; D223-T230 HydrophobicContact CB-CG2 3.82Å
224	R	87.8	Confident	88.9	Confident	141 Å²	141	66.8 Å²	66.8	53%	0.532	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.7	178.5	-170.9	179.1	-100.2	-108.6	5.1	113.3	T174 Y176 D197 F222	T174-R224 HydrophobicContact CG2-CB 4.34Å; T174-R224 WeakPolarHBondContact O-CB 3.36Å; T174-R224 PolarHBondContact O-N 2.85Å; Y176-R224 HydrophobicContact CD1-CB 3.96Å; Y176-R224 HydrophobicContact CD1-CG 4.43Å; D197-R224 IonicContact OD1-CZ 3.37Å; D197-R224 IonicContact OD1-NE 3.63Å; D197-R224 IonicContact OD1-NH2 3.24Å; D197-R224 PolarHBondContact OD1-NH2 3.02Å; D197-R224 IonicContact OD2-NH2 2.68Å; D197-R224 PolarHBondContact OD2-NH2 3.26Å; F222-R224 PolarHBondContact O-N 2.87Å
225	R	86	Confident	88.7	Confident	211 Å²	211	64.4 Å²	64.4	80%	0.796	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-40.9	178.6	-175.1	-178.1	59.7	171.3	-4.5	113.8	D223	D223-R225 PolarHBondContact O-N 2.77Å; D223-R225 VanDerWaalsContact O-N 3.08Å; D223-R225 WeakPolarHBondContact OD1-CB 3.48Å; D223-R225 PolarHBondContact OD1-N 3.29Å
226	S	85.1	Confident	88.4	Confident	67 Å²	67	64.5 Å²	64.5	47%	0.469	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-12	-176.5	66.1	0	0	0	0	115.1	D223 K228	D223-S226 PolarHBondContact O-N 2.91Å; D223-S226 WeakPolarHBondContact OD2-CB 3.48Å; D223-S226 PolarHBondContact OD2-N 2.93Å; D223-S226 PolarHBondContact OD2-OG 2.61Å; S226-K228 PolarHBondContact O-N 2.66Å
227	G	83.9	Confident	88.3	Confident	47 Å²	47	63.2 Å²	63.2	49%	0.485	31%	0.308	S	S	.	.			trans	67.7	15	-179.1	0	0	0	0	0	114.4	D223	D223-G227 WeakPolarHBondContact O-CA 3.22Å; D223-G227 PolarHBondContact O-N 2.92Å
228	K	87.9	Confident	88.3	Confident	150 Å²	150	63.1 Å²	63.1	65%	0.652	31%	0.308	S	S	*	.	S	Bend	trans	-103.3	149.7	-179.4	-65.4	-173.6	178.1	-174.1	0	111.2	F222 D223 S226 T230	F222-K228 CarbonylContact C-O 3.59Å; F222-K228 VanDerWaalsContact CA-O 3.29Å; F222-K228 WeakPolarHBondContact CA-O 3.38Å; D223-K228 PolarHBondContact N-O 2.52Å; S226-K228 PolarHBondContact O-N 2.66Å; K228-T230 PolarHBondContact O-N 3.22Å
229	E	87.5	Confident	88.3	Confident	93 Å²	93	64.3 Å²	64.3	44%	0.435	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-58.3	129.7	170.4	-64.1	-176.5	148.5	0	0	110.3	Q220 V221 F222	Q220-E229 PolarHBondContact NE2-OE1 2.91Å; V221-E229 CarbonylContact O-C 3.43Å; V221-E229 VanDerWaalsContact O-CA 3.25Å; V221-E229 WeakPolarHBondContact O-CA 3.33Å; F222-E229 HydrophobicContact CD1-CG 3.9Å; F222-E229 HydrophobicContact CE1-CG 3.45Å; F222-E229 VanDerWaalsContact CE1-CG 3.45Å; F222-E229 HydrophobicContact CZ-CG 3.85Å
230	T	84.6	Confident	88.4	Confident	37 Å²	37	64.6 Å²	64.6	23%	0.227	31%	0.314	C	S	.	.	S	Bend	trans	-88.6	-32.3	173.9	55	0	0	0	0	112	F173 V175 V221 D223 K228	F173-T230 HydrophobicContact CB-CG2 4.23Å; F173-T230 HydrophobicContact CD2-CG2 3.89Å; F173-T230 HydrophobicContact CE2-CG2 4.47Å; F173-T230 HydrophobicContact CG-CG2 4.06Å; V175-T230 HydrophobicContact CG1-CG2 4.17Å; V221-T230 WeakPolarHBondContact CG1-OG1 3.01Å; V221-T230 PolarHBondContact O-N 2.9Å; V221-T230 PolarHBondContact O-OG1 2.82Å; D223-T230 HydrophobicContact CB-CG2 3.82Å; K228-T230 PolarHBondContact O-N 3.22Å
231	D	84.4	Confident	88.4	Confident	34 Å²	34	65.3 Å²	65.3	18%	0.182	32%	0.317	C	S	.	.	S	Bend	trans	-128.3	163.9	-175.7	-65	-86.6	0	0	0	110.4	K140 S167 S169	K140-D231 IonicContact NZ-OD1 3.72Å; K140-D231 PolarHBondContact NZ-OD1 3Å; K140-D231 VanDerWaalsContact NZ-OD1 3.1Å; S167-D231 PolarHBondContact OG-OD2 2.77Å; S169-D231 WeakPolarHBondContact CB-OD2 3.3Å; S169-D231 PolarHBondContact OG-OD1 2.86Å; S169-D231 PolarHBondContact OG-OD2 3.25Å
232	R	84.1	Confident	88.5	Confident	194 Å²	194	65.6 Å²	65.6	73%	0.732	32%	0.318	S	S	*	.			trans	-70.9	147.5	174.2	-68.9	178.2	175.1	171.8	-3.5	110.1
233	P	87.9	Confident	88.6	Confident	47 Å²	47	66.6 Å²	66.6	31%	0.305	32%	0.324	S	S	.	.			trans	-52.1	142.1	170.4	-23.6	31.9	0	0	0	112	R142 T218 A219 Q220	R142-P233 PolarHBondContact NH1-O 2.91Å; T218-P233 HydrophobicContact CG2-CB 3.47Å; T218-P233 VanDerWaalsContact CG2-CB 3.47Å; A219-P233 WeakPolarHBondContact O-CA 3.4Å; Q220-P233 HydrophobicContact CG-CB 4.06Å; Q220-P233 HydrophobicContact CG-CG 4.15Å
234	L	85.8	Confident	88.8	Confident	46 Å²	46	68.3 Å²	68.3	24%	0.241	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	110.5	-167.8	-173.7	66.9	0	0	0	110	P145 T218 A219	P145-L234 HydrophobicContact CG-CD2 4.3Å; P145-L234 HydrophobicContact CG-CG 4.2Å; T218-L234 WeakPolarHBondContact CA-O 3.37Å; A219-L234 PolarHBondContact N-O 3.01Å; A219-L234 PolarHBondContact O-N 3.07Å
235	D	88.9	Confident	89	Confident	84 Å²	84	64.3 Å²	64.3	45%	0.449	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130	-178.6	-56	-53.6	0	0	0	110.9	T218	T218-D235 WeakPolarHBondContact CB-OD1 3.41Å; T218-D235 WeakPolarHBondContact CG2-OD1 3.33Å; T218-D235 PolarHBondContact OG1-OD1 2.87Å
236	I	88.6	Confident	89.5	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.4	179.6	-66.8	165.1	0	0	0	107.2	P145 F148 V165 V216 F217 A219 V238	P145-I236 HydrophobicContact CG-CG1 3.82Å; F148-I236 HydrophobicContact CD1-CG2 4.36Å; F148-I236 HydrophobicContact CE1-CG2 3.6Å; F148-I236 HydrophobicContact CZ-CG2 4.35Å; V165-I236 HydrophobicContact CG1-CD1 4.46Å; V165-I236 HydrophobicContact CG2-CD1 3.57Å; V216-I236 WeakPolarHBondContact CA-O 3.39Å; F217-I236 HydrophobicContact CD2-CB 4.02Å; F217-I236 HydrophobicContact CD2-CD1 4.23Å; F217-I236 HydrophobicContact CD2-CG2 4.38Å; F217-I236 HydrophobicContact CE2-CB 3.78Å; F217-I236 HydrophobicContact CE2-CD1 3.73Å; F217-I236 HydrophobicContact CE2-CG1 4.36Å; F217-I236 HydrophobicContact CE2-CG2 3.71Å; F217-I236 HydrophobicContact CZ-CB 4.34Å; F217-I236 HydrophobicContact CZ-CG2 3.79Å; F217-I236 PolarHBondContact N-O 3.2Å; F217-I236 WeakPolarHBondContact O-CB 3.44Å; F217-I236 PolarHBondContact O-N 3.35Å; A219-I236 HydrophobicContact CB-CD1 3.69Å; I236-V238 HydrophobicContact CG2-CG2 4.25Å
237	T	91	Very high	90	Very high	43 Å²	43	54.5 Å²	54.5	26%	0.264	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.5	170.9	-58.6	0	0	0	0	108.7	P147 F148 F215 V216 L239	P147-T237 VanDerWaalsContact CA-O 3.31Å; P147-T237 WeakPolarHBondContact CA-O 3.2Å; P147-T237 HydrophobicContact CB-CG2 4.25Å; F148-T237 PolarHBondContact N-O 3.3Å; F215-T237 WeakPolarHBondContact O-CA 3.44Å; V216-T237 HydrophobicContact CG2-CG2 4.39Å; T237-L239 HydrophobicContact CG2-CD2 4.03Å
238	V	92	Very high	90.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.4	169.8	-171.9	0	0	0	0	107.3	F148 I150 F192 K214 F215 F217 I236	F148-V238 HydrophobicContact CD2-CG1 4.12Å; F148-V238 HydrophobicContact CD2-CG2 4.45Å; F148-V238 HydrophobicContact CE1-CG2 3.96Å; F148-V238 HydrophobicContact CE2-CB 4.33Å; F148-V238 HydrophobicContact CE2-CG1 3.78Å; F148-V238 HydrophobicContact CE2-CG2 3.71Å; F148-V238 HydrophobicContact CZ-CB 4.49Å; F148-V238 HydrophobicContact CZ-CG1 4.4Å; F148-V238 HydrophobicContact CZ-CG2 3.44Å; F148-V238 VanDerWaalsContact CZ-CG2 3.44Å; F148-V238 WeakPolarHBondContact O-CA 3.34Å; I150-V238 HydrophobicContact CD1-CG1 4.18Å; I150-V238 HydrophobicContact CG1-CG1 3.96Å; I150-V238 HydrophobicContact CG2-CG1 4.03Å; F192-V238 HydrophobicContact CE1-CG1 4.24Å; F192-V238 HydrophobicContact CE1-CG2 4.41Å; F192-V238 HydrophobicContact CZ-CB 4.29Å; F192-V238 HydrophobicContact CZ-CG1 4.01Å; F192-V238 HydrophobicContact CZ-CG2 4.31Å; K214-V238 CarbonylContact C-O 3.54Å; K214-V238 WeakPolarHBondContact CA-O 3.29Å; K214-V238 WeakPolarHBondContact CB-O 3.43Å; F215-V238 HydrophobicContact CB-CB 4.37Å; F215-V238 HydrophobicContact CD2-CB 4.49Å; F215-V238 PolarHBondContact N-O 2.8Å; F215-V238 PolarHBondContact O-N 3.02Å; F217-V238 HydrophobicContact CE1-CG2 3.53Å; F217-V238 HydrophobicContact CZ-CG2 3.85Å; I236-V238 HydrophobicContact CG2-CG2 4.25Å
239	L	92.2	Very high	91.1	Very high	59 Å²	59	48.2 Å²	48.2	31%	0.309	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	144.4	172	-58.4	177.2	0	0	0	108.8	P147 F148 S149 I150 K214 T237	P147-L239 HydrophobicContact CB-CD1 4.02Å; P147-L239 HydrophobicContact CB-CG 4.08Å; F148-L239 PolarHBondContact O-N 2.86Å; S149-L239 CarbonylContact C-O 3.59Å; S149-L239 VanDerWaalsContact CA-O 3.26Å; S149-L239 WeakPolarHBondContact CA-O 3.34Å; I150-L239 PolarHBondContact N-O 2.89Å; K214-L239 HydrophobicContact CB-CD2 4.11Å; T237-L239 HydrophobicContact CG2-CD2 4.03Å
240	V	93.7	Very high	91.5	Very high	9 Å²	9	46 Å²	46	6%	0.055	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.2	169.7	-176.9	0	0	0	0	107.9	I150 E152 V207 R209 Y212 P213 F215	I150-V240 HydrophobicContact CD1-CG2 4.43Å; I150-V240 HydrophobicContact CG1-CG2 4.2Å; I150-V240 CarbonylContact O-C 3.56Å; I150-V240 WeakPolarHBondContact O-CA 3.4Å; E152-V240 HydrophobicContact CB-CG1 3.64Å; V207-V240 HydrophobicContact CG1-CG1 3.7Å; V207-V240 HydrophobicContact CG1-CG2 3.99Å; V207-V240 HydrophobicContact CG2-CG2 4.12Å; R209-V240 HydrophobicContact CB-CB 4.37Å; R209-V240 HydrophobicContact CB-CG1 3.74Å; R209-V240 HydrophobicContact CG-CB 4.04Å; R209-V240 HydrophobicContact CG-CG1 3.87Å; Y212-V240 WeakPolarHBondContact O-CG2 3Å; P213-V240 PolarHBondContact O-N 2.86Å; F215-V240 HydrophobicContact CD2-CG2 4.34Å; F215-V240 HydrophobicContact CE2-CG2 3.83Å
241	E	92.1	Very high	91.9	Very high	59 Å²	59	46.7 Å²	46.7	28%	0.276	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.4	174.6	-88.4	175.4	-167	0	0	109.8	S149 I150 I151 E152 K853	S149-E241 WeakPolarHBondContact CB-OE1 3.14Å; S149-E241 VanDerWaalsContact OG-CD 3.26Å; S149-E241 PolarHBondContact OG-OE1 2.94Å; I150-E241 PolarHBondContact O-N 2.87Å; I151-E241 HydrophobicContact CG1-CB 4.47Å; E152-E241 PolarHBondContact N-O 3.36Å; E152-E241 VanDerWaalsContact N-O 3.13Å; E241-K853 IonicContact OE1-NZ 2.84Å
242	D	92.9	Very high	92.2	Very high	20 Å²	20	46.9 Å²	46.9	11%	0.107	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-72.3	140.5	-171.2	-170.9	85	0	0	0	113.2	E152 R209 E278 H283	E152-D242 WeakPolarHBondContact OE1-CA 3.28Å; R209-D242 WeakPolarHBondContact CD-OD1 3.41Å; R209-D242 IonicContact CZ-OD1 3.25Å; R209-D242 VanDerWaalsContact CZ-OD1 3.22Å; R209-D242 IonicContact NE-OD1 2.67Å; R209-D242 PolarHBondContact NE-OD1 2.76Å; R209-D242 IonicContact NH1-OD1 3.11Å; R209-D242 IonicContact NH2-OD1 2.63Å; D242-E278 HydrophobicContact CB-CB 3.68Å; D242-E278 VanDerWaalsContact OD1-CB 3.28Å; D242-E278 WeakPolarHBondContact OD1-CB 3.47Å; D242-E278 PolarHBondContact OD1-N 2.76Å; D242-E278 PolarHBondContact OD2-N 2.83Å; D242-H283 IonicContact OD2-CE1 2.73Å; D242-H283 IonicContact OD2-CG 3.55Å; D242-H283 IonicContact OD2-ND1 3.8Å; D242-H283 PolarHBondContact OD2-ND1 3.14Å
243	I	93.4	Very high	92.4	Very high	51 Å²	51	41.9 Å²	41.9	26%	0.262	25%	0.249	S	C	.	.			trans	-121.6	152	166.3	73.9	-178	0	0	0	110	I151 E152 Q153 D245	I151-I243 HydrophobicContact CG2-CG2 3.59Å; E152-I243 HydrophobicContact CG-CB 4.32Å; E152-I243 HydrophobicContact CG-CD1 3.93Å; E152-I243 HydrophobicContact CG-CG1 3.64Å; E152-I243 HydrophobicContact CG-CG2 4.13Å; E152-I243 PolarHBondContact OE1-N 2.82Å; Q153-I243 HydrophobicContact CB-CD1 3.86Å; Q153-I243 HydrophobicContact CG-CD1 4.18Å; I243-D245 HydrophobicContact CD1-CB 4.45Å; I243-D245 HydrophobicContact CG1-CB 4.24Å; I243-D245 PolarHBondContact O-N 2.83Å; I243-D245 VanDerWaalsContact O-N 3.11Å
244	N	94.4	Very high	92.8	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.214	24%	0.244	C	C	.	.	S	Bend	trans	-75.3	101.2	169.9	177.7	-106.4	0	0	0	110.1	D277 H283 D329 L337	N244-D277 WeakPolarHBondContact CA-OD2 3.38Å; N244-D277 PolarHBondContact ND2-OD2 3.05Å; N244-H283 HydrophobicContact CB-CB 4.17Å; N244-D329 PolarHBondContact ND2-OD2 2.85Å; N244-D329 PolarHBondContact OD1-OD2 2.98Å; N244-L337 WeakPolarHBondContact OD1-CG 3.06Å
245	D	93.9	Very high	93.4	Very high	58 Å²	58	44.1 Å²	44.1	31%	0.31	26%	0.262	S	S	.	.			trans	-128.8	-24.5	171.4	97.9	-62.3	0	0	0	113.6	Q153 I243 L337	Q153-D245 PolarHBondContact NE2-OD2 2.74Å; I243-D245 HydrophobicContact CD1-CB 4.45Å; I243-D245 HydrophobicContact CG1-CB 4.24Å; I243-D245 PolarHBondContact O-N 2.83Å; I243-D245 VanDerWaalsContact O-N 3.11Å; D245-L337 VanDerWaalsContact O-CD1 3.32Å; D245-L337 WeakPolarHBondContact O-CD1 3.22Å
246	N	95.1	Very high	93.8	Very high	32 Å²	32	41.2 Å²	41.2	17%	0.171	25%	0.246	C	C	.	.	S	Bend	trans	-79.4	134.2	171.5	-59	-91.6	0	0	0	109.9	K276 D277	N246-K276 HydrophobicContact CB-CB 3.99Å; N246-D277 WeakPolarHBondContact CB-OD1 3.26Å; N246-D277 PolarHBondContact N-OD1 3.37Å; N246-D277 PolarHBondContact ND2-OD1 3.27Å
247	A	95.7	Very high	94.1	Very high	39 Å²	39	44.2 Å²	44.2	32%	0.322	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-92	141.9	172	0	0	0	0	0	110	L337	A247-L337 HydrophobicContact CB-CB 3.82Å; A247-L337 HydrophobicContact CB-CD1 4.39Å
248	P	97.1	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-60.3	143.5	-177.3	20	-31.5	0	0	0	112.4	D275 I286 I327 D329 N339	P248-D275 WeakPolarHBondContact CA-OD2 3.5Å; P248-D275 VanDerWaalsContact CB-OD2 3.25Å; P248-D275 WeakPolarHBondContact CB-OD2 3.47Å; P248-D275 VanDerWaalsContact CD-OD2 3.27Å; P248-D275 WeakPolarHBondContact CD-OD2 3.47Å; P248-I286 HydrophobicContact CB-CD1 3.75Å; P248-I286 HydrophobicContact CB-CG1 3.96Å; P248-I286 HydrophobicContact CB-CG2 4.22Å; P248-I327 HydrophobicContact CB-CB 4.42Å; P248-I327 HydrophobicContact CB-CD1 4.06Å; P248-I327 HydrophobicContact CB-CG1 4.16Å; P248-I327 HydrophobicContact CG-CB 4.46Å; P248-I327 HydrophobicContact CG-CG1 4.24Å; P248-I327 WeakPolarHBondContact O-CD1 3.46Å; P248-D329 HydrophobicContact CG-CB 4.49Å; P248-N339 WeakPolarHBondContact O-CB 3.28Å; P248-N339 PolarHBondContact O-ND2 3.24Å
249	T	97.1	Very high	94.6	Very high	65 Å²	65	47 Å²	47	40%	0.399	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.7	-173.8	57	0	0	0	0	111.9	S273 T274	T249-S273 CarbonylContact O-C 3.57Å; T249-S273 WeakPolarHBondContact O-CA 3.31Å; T249-S273 WeakPolarHBondContact O-CB 3.23Å; T249-T274 PolarHBondContact N-O 2.84Å; T249-T274 PolarHBondContact O-N 3.01Å; T249-T274 PolarHBondContact OG1-O 2.83Å; T249-T274 PolarHBondContact OG1-OG1 2.9Å
250	F	97.1	Very high	94.7	Very high	46 Å²	46	44.3 Å²	44.3	20%	0.202	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.1	177.6	-65.3	-87	0	0	0	111.1	L254 V271 V325 I327 N339 A341	F250-L254 HydrophobicContact CD1-CD1 4.47Å; F250-L254 HydrophobicContact CD1-CD2 4.04Å; F250-L254 HydrophobicContact CG-CD1 4.4Å; F250-V271 HydrophobicContact CD1-CG1 3.74Å; F250-V271 HydrophobicContact CE1-CG1 3.76Å; F250-V325 HydrophobicContact CE1-CB 4.33Å; F250-V325 HydrophobicContact CE1-CG1 4.19Å; F250-I327 HydrophobicContact CD1-CD1 3.93Å; F250-I327 HydrophobicContact CD1-CG2 4.36Å; F250-I327 HydrophobicContact CD2-CD1 3.61Å; F250-I327 HydrophobicContact CD2-CG1 4.32Å; F250-I327 HydrophobicContact CE1-CB 4.47Å; F250-I327 HydrophobicContact CE1-CD1 3.88Å; F250-I327 HydrophobicContact CE1-CG1 4.1Å; F250-I327 HydrophobicContact CE1-CG2 3.66Å; F250-I327 HydrophobicContact CE2-CD1 3.53Å; F250-I327 HydrophobicContact CE2-CG1 3.71Å; F250-I327 HydrophobicContact CG-CD1 3.81Å; F250-I327 HydrophobicContact CZ-CB 4.27Å; F250-I327 HydrophobicContact CZ-CD1 3.68Å; F250-I327 HydrophobicContact CZ-CG1 3.6Å; F250-I327 HydrophobicContact CZ-CG2 3.91Å; F250-N339 HydrophobicContact CE2-CB 4.4Å; F250-A341 HydrophobicContact CD1-CB 4.47Å; F250-A341 HydrophobicContact CD2-CB 3.64Å; F250-A341 HydrophobicContact CE1-CB 4.27Å; F250-A341 HydrophobicContact CE2-CB 3.4Å; F250-A341 VanDerWaalsContact CE2-CB 3.4Å; F250-A341 HydrophobicContact CG-CB 4.18Å; F250-A341 HydrophobicContact CZ-CB 3.74Å
251	S	92.4	Very high	94.5	Very high	52 Å²	52	46.8 Å²	46.8	36%	0.364	28%	0.277	S	S	.	.			trans	-127.5	38	-168.7	60.1	0	0	0	0	113.1	K272 S273 T274	S251-K272 PolarHBondContact N-O 2.85Å; S251-K272 VanDerWaalsContact OG-C 3.29Å; S251-K272 PolarHBondContact OG-O 2.91Å; S251-S273 WeakPolarHBondContact OG-CA 3.35Å; S251-S273 PolarHBondContact OG-N 2.82Å; S251-S273 VanDerWaalsContact OG-N 3.16Å; S251-S273 PolarHBondContact OG-O 3.03Å; S251-T274 WeakPolarHBondContact CB-OG1 3.39Å
252	G	90.1	Very high	94.5	Very high	38 Å²	38	44.6 Å²	44.6	39%	0.392	27%	0.268	S	S	.	.	S	Bend	trans	-168.7	-178.6	179.3	0	0	0	0	0	113.3
253	P	90.1	Very high	94.6	Very high	89 Å²	89	51.6 Å²	51.6	58%	0.578	30%	0.297	S	S	*	.			trans	-65.2	144.1	171.9	29.6	-34.5	0	0	0	110.8	F256	P253-F256 WeakPolarHBondContact O-CZ 3.28Å
254	L	95.8	Very high	94.7	Very high	39 Å²	39	53.1 Å²	53.1	20%	0.204	31%	0.311	C	S	.	.			trans	-112	29.3	173	-65.5	176.1	0	0	0	110.8	F250 V271 A341 A343 T344	F250-L254 HydrophobicContact CD1-CD1 4.47Å; F250-L254 HydrophobicContact CD1-CD2 4.04Å; F250-L254 HydrophobicContact CG-CD1 4.4Å; L254-V271 HydrophobicContact CD2-CG1 3.92Å; L254-V271 HydrophobicContact CD2-CG2 4.42Å; L254-A341 HydrophobicContact CD1-CB 3.46Å; L254-A341 VanDerWaalsContact CD1-CB 3.46Å; L254-A343 HydrophobicContact CB-CB 4.47Å; L254-A343 CarbonylContact O-C 3.44Å; L254-A343 VanDerWaalsContact O-CA 3.25Å; L254-A343 WeakPolarHBondContact O-CA 3.42Å; L254-T344 PolarHBondContact O-N 2.78Å
255	T	97.2	Very high	94.7	Very high	101 Å²	101	53.7 Å²	53.7	62%	0.62	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	118	179.9	51.7	0	0	0	0	108.4	T344	T255-T344 WeakPolarHBondContact CA-O 3.33Å
256	F	97.1	Very high	94.8	Very high	23 Å²	23	53.4 Å²	53.4	10%	0.101	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	162.4	-174.3	-53.6	-65.6	0	0	0	110.2	P253 V268 V271 I306 A343 T344 I345 T346	P253-F256 WeakPolarHBondContact O-CZ 3.28Å; F256-V268 HydrophobicContact CB-CG1 3.92Å; F256-V271 HydrophobicContact CE2-CG2 3.86Å; F256-V271 HydrophobicContact CZ-CG2 3.93Å; F256-I306 HydrophobicContact CD2-CD1 4.27Å; F256-I306 HydrophobicContact CE2-CD1 4.04Å; F256-A343 HydrophobicContact CD2-CB 4.22Å; F256-A343 HydrophobicContact CE2-CB 3.95Å; F256-T344 PolarHBondContact N-O 2.87Å; F256-I345 HydrophobicContact CB-CG1 4.42Å; F256-I345 HydrophobicContact CD2-CG1 4.48Å; F256-I345 WeakPolarHBondContact O-CA 3.33Å; F256-T346 PolarHBondContact O-N 3.36Å
257	S	96.8	Very high	94.9	Very high	65 Å²	65	58.5 Å²	58.5	46%	0.455	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.3	174.2	56	0	0	0	0	111.4	T346	S257-T346 WeakPolarHBondContact CA-O 3.34Å
258	V	96.8	Very high	95	Very high	8 Å²	8	57.3 Å²	57.3	5%	0.048	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.1	178.7	67.4	0	0	0	0	109.1	C262 T266 V268 I345 T346 L347 L348	V258-C262 HydrophobicContact CG2-CB 4.36Å; V258-T266 HydrophobicContact CG2-CG2 3.78Å; V258-V268 HydrophobicContact CB-CG1 4.25Å; V258-V268 HydrophobicContact CB-CG2 4.1Å; V258-V268 HydrophobicContact CG1-CG1 4.37Å; V258-V268 HydrophobicContact CG1-CG2 4.21Å; V258-V268 HydrophobicContact CG2-CG2 4.12Å; V258-I345 HydrophobicContact CG1-CG2 3.99Å; V258-T346 PolarHBondContact N-O 2.79Å; V258-T346 VanDerWaalsContact N-O 3.14Å; V258-L347 HydrophobicContact CG1-CD2 3.83Å; V258-L347 CarbonylContact O-C 3.06Å; V258-L347 WeakPolarHBondContact O-CA 3.17Å; V258-L348 PolarHBondContact O-N 2.94Å
259	L	95	Very high	94.9	Very high	93 Å²	93	58.1 Å²	58.1	49%	0.487	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	141.3	169.6	-66.6	164.6	0	0	0	109.9	C262 L348 I350	L259-C262 VanDerWaalsContact O-CB 3.25Å; L259-C262 WeakPolarHBondContact O-CB 3.42Å; L259-C262 PolarHBondContact O-SG 2.87Å; L259-L348 HydrophobicContact CD2-CB 3.95Å; L259-I350 HydrophobicContact CB-CG2 4.43Å; L259-I350 HydrophobicContact CD2-CG2 3.83Å
260	E	94.5	Very high	94.8	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.014	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	170	167.5	71.8	-170.5	116.1	0	0	112.5	C262 D314 R315 L347 L348 D349 I350	E260-C262 PolarHBondContact O-N 2.91Å; E260-D314 WeakPolarHBondContact OE2-CA 3.46Å; E260-R315 HydrophobicContact CB-CB 4.44Å; E260-R315 VanDerWaalsContact CD-CB 3.44Å; E260-R315 VanDerWaalsContact OE1-CB 3.28Å; E260-R315 WeakPolarHBondContact OE1-CB 3.27Å; E260-R315 WeakPolarHBondContact OE2-CB 3.06Å; E260-R315 PolarHBondContact OE2-N 2.75Å; E260-L347 HydrophobicContact CB-CB 4.46Å; E260-L347 HydrophobicContact CB-CD1 4.37Å; E260-L348 PolarHBondContact N-O 3.16Å; E260-L348 VanDerWaalsContact N-O 3.12Å; E260-D349 WeakPolarHBondContact OE1-CA 3.17Å; E260-I350 HydrophobicContact CG-CB 4.46Å; E260-I350 HydrophobicContact CG-CD1 3.87Å; E260-I350 HydrophobicContact CG-CG1 3.67Å; E260-I350 HydrophobicContact CG-CG2 4.32Å; E260-I350 PolarHBondContact OE1-N 3.25Å; E260-I350 VanDerWaalsContact OE1-N 3.17Å
261	Q	90.8	Very high	94.8	Very high	61 Å²	61	57.2 Å²	57.2	29%	0.285	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	17.8	-174.3	-54.3	-171	14.4	0	0	114.7	L313 I350 D352	Q261-L313 PolarHBondContact N-O 2.75Å; Q261-I350 HydrophobicContact CB-CD1 3.96Å; Q261-I350 HydrophobicContact CG-CD1 4.16Å; Q261-D352 PolarHBondContact NE2-OD2 2.88Å
262	C	92.3	Very high	95	Very high	14 Å²	14	59.1 Å²	59.1	10%	0.095	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-65.5	156.7	-173.3	58.7	0	0	0	0	112	V258 L259 E260 T266 A308 S311	V258-C262 HydrophobicContact CG2-CB 4.36Å; L259-C262 VanDerWaalsContact O-CB 3.25Å; L259-C262 WeakPolarHBondContact O-CB 3.42Å; L259-C262 PolarHBondContact O-SG 2.87Å; E260-C262 PolarHBondContact O-N 2.91Å; C262-T266 HydrophobicContact CB-CG2 4.09Å; C262-A308 VanDerWaalsContact SG-CB 3.56Å; C262-S311 WeakPolarHBondContact O-CA 2.91Å; C262-S311 WeakPolarHBondContact O-CB 3.24Å
263	K	93.6	Very high	95.2	Very high	167 Å²	167	58.1 Å²	58.1	73%	0.726	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-70	139.9	-174.1	-67.5	174.2	-176.8	170.4	0	109.6	G265 T266	K263-G265 PolarHBondContact O-N 2.69Å; K263-T266 VanDerWaalsContact O-CB 3.3Å; K263-T266 WeakPolarHBondContact O-CB 3.11Å; K263-T266 PolarHBondContact O-N 2.9Å; K263-T266 PolarHBondContact O-OG1 3.38Å; K263-T266 VanDerWaalsContact O-OG1 3.1Å
264	P	95.6	Very high	95.5	Very high	83 Å²	83	57.2 Å²	57.2	54%	0.539	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	128.3	169.9	-26.4	35.4	0	0	0	110.5
265	G	94.6	Very high	95.5	Very high	52 Å²	52	56.9 Å²	56.9	54%	0.536	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.4	-6.4	-170.9	0	0	0	0	0	115.4	K263 E267 A308	K263-G265 PolarHBondContact O-N 2.69Å; G265-E267 PolarHBondContact O-N 2.99Å; G265-A308 PolarHBondContact N-O 2.82Å
266	T	96.8	Very high	95.5	Very high	51 Å²	51	58.6 Å²	58.6	31%	0.313	32%	0.317	S	S	.	.			trans	-59.7	130.4	171.6	-74.2	0	0	0	0	110.6	V258 C262 K263 T307 A308	V258-T266 HydrophobicContact CG2-CG2 3.78Å; C262-T266 HydrophobicContact CB-CG2 4.09Å; K263-T266 VanDerWaalsContact O-CB 3.3Å; K263-T266 WeakPolarHBondContact O-CB 3.11Å; K263-T266 PolarHBondContact O-N 2.9Å; K263-T266 PolarHBondContact O-OG1 3.38Å; K263-T266 VanDerWaalsContact O-OG1 3.1Å; T266-T307 CarbonylContact O-C 3.56Å; T266-T307 VanDerWaalsContact O-CA 3.27Å; T266-T307 WeakPolarHBondContact O-CA 3.2Å; T266-A308 PolarHBondContact O-N 2.8Å
267	E	96.9	Very high	95.4	Very high	140 Å²	140	57.8 Å²	57.8	65%	0.654	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.2	177.5	-61.9	-179.4	172.7	0	0	110.8	G265 L305 T307	G265-E267 PolarHBondContact O-N 2.99Å; E267-L305 HydrophobicContact CB-CD1 4.27Å; E267-L305 HydrophobicContact CG-CD1 4.31Å; E267-L305 HydrophobicContact CG-CD2 4.2Å; E267-T307 HydrophobicContact CG-CG2 4.39Å
268	V	96.7	Very high	95.2	Very high	13 Å²	13	59 Å²	59	8%	0.079	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-38.2	-177.5	179.4	0	0	0	0	111.2	F256 V258 F297 I306 A308 I345	F256-V268 HydrophobicContact CB-CG1 3.92Å; V258-V268 HydrophobicContact CB-CG1 4.25Å; V258-V268 HydrophobicContact CB-CG2 4.1Å; V258-V268 HydrophobicContact CG1-CG1 4.37Å; V258-V268 HydrophobicContact CG1-CG2 4.21Å; V258-V268 HydrophobicContact CG2-CG2 4.12Å; V268-F297 HydrophobicContact CG2-CD1 4.12Å; V268-F297 HydrophobicContact CG2-CE1 4.1Å; V268-I306 HydrophobicContact CB-CB 4.24Å; V268-I306 HydrophobicContact CB-CG2 3.98Å; V268-I306 HydrophobicContact CG1-CG2 4.33Å; V268-I306 HydrophobicContact CG2-CG2 4.29Å; V268-I306 PolarHBondContact N-O 3.08Å; V268-A308 HydrophobicContact CG2-CB 4.49Å; V268-I345 HydrophobicContact CG1-CD1 4.13Å; V268-I345 HydrophobicContact CG1-CG1 4.09Å; V268-I345 HydrophobicContact CG1-CG2 3.7Å
269	G	95.1	Very high	95	Very high	17 Å²	17	62 Å²	62	18%	0.175	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.5	162	179.7	0	0	0	0	0	113	I306	G269-I306 PolarHBondContact O-N 3.01Å
270	E	95.8	Very high	94.8	Very high	93 Å²	93	64.5 Å²	64.5	44%	0.435	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	117.5	-175.8	-167.8	-163	151.2	0	0	110.7	K272 S303	E270-K272 HydrophobicContact CG-CG 4.37Å; E270-K272 WeakPolarHBondContact OE1-CE 3.49Å; E270-K272 IonicContact OE1-NZ 3.24Å; E270-K272 PolarHBondContact OE1-NZ 2.85Å; E270-K272 WeakPolarHBondContact OE2-CE 3.27Å; E270-K272 IonicContact OE2-NZ 2.75Å; E270-K272 PolarHBondContact OE2-NZ 2.99Å; E270-S303 WeakPolarHBondContact CG-O 3.27Å
271	V	96.8	Very high	94.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.359	C	S	.	.			trans	-81.6	117.5	171.9	179.9	0	0	0	0	108.7	F250 L254 F256 Y288 I299 G304 I306 V325	F250-V271 HydrophobicContact CD1-CG1 3.74Å; F250-V271 HydrophobicContact CE1-CG1 3.76Å; L254-V271 HydrophobicContact CD2-CG1 3.92Å; L254-V271 HydrophobicContact CD2-CG2 4.42Å; F256-V271 HydrophobicContact CE2-CG2 3.86Å; F256-V271 HydrophobicContact CZ-CG2 3.93Å; V271-Y288 HydrophobicContact CB-CD1 4.44Å; V271-Y288 HydrophobicContact CB-CE1 4.38Å; V271-Y288 HydrophobicContact CG1-CD1 4.27Å; V271-Y288 HydrophobicContact CG1-CE1 4.12Å; V271-Y288 WeakPolarHBondContact O-CE1 3.35Å; V271-Y288 PolarHBondContact O-OH 2.6Å; V271-I299 HydrophobicContact CB-CD1 4.37Å; V271-I299 HydrophobicContact CG2-CD1 4.21Å; V271-G304 PolarHBondContact N-O 2.69Å; V271-G304 WeakPolarHBondContact O-CA 3.17Å; V271-I306 HydrophobicContact CG2-CD1 3.66Å; V271-I306 HydrophobicContact CG2-CG1 4.08Å; V271-V325 HydrophobicContact CG1-CG1 4.38Å; V271-V325 HydrophobicContact CG2-CG2 4.4Å
272	K	95.8	Very high	94.7	Very high	91 Å²	91	66.1 Å²	66.1	40%	0.396	37%	0.367	S	S	.	.			trans	-100.4	145.2	179.3	-56.8	-172.7	-171.6	-94.7	0	111.2	S251 E270	S251-K272 PolarHBondContact N-O 2.85Å; S251-K272 VanDerWaalsContact OG-C 3.29Å; S251-K272 PolarHBondContact OG-O 2.91Å; E270-K272 HydrophobicContact CG-CG 4.37Å; E270-K272 WeakPolarHBondContact OE1-CE 3.49Å; E270-K272 IonicContact OE1-NZ 3.24Å; E270-K272 PolarHBondContact OE1-NZ 2.85Å; E270-K272 WeakPolarHBondContact OE2-CE 3.27Å; E270-K272 IonicContact OE2-NZ 2.75Å; E270-K272 PolarHBondContact OE2-NZ 2.99Å
273	S	95.7	Very high	94.7	Very high	18 Å²	18	67.4 Å²	67.4	13%	0.126	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.9	172.3	58.4	0	0	0	0	111.9	T249 S251 I286 Y288	T249-S273 CarbonylContact O-C 3.57Å; T249-S273 WeakPolarHBondContact O-CA 3.31Å; T249-S273 WeakPolarHBondContact O-CB 3.23Å; S251-S273 WeakPolarHBondContact OG-CA 3.35Å; S251-S273 PolarHBondContact OG-N 2.82Å; S251-S273 VanDerWaalsContact OG-N 3.16Å; S251-S273 PolarHBondContact OG-O 3.03Å; S273-I286 VanDerWaalsContact OG-CD1 3.28Å; S273-I286 WeakPolarHBondContact OG-CD1 3.32Å; S273-Y288 PolarHBondContact N-OH 3.42Å; S273-Y288 WeakPolarHBondContact OG-CE1 3.3Å; S273-Y288 VanDerWaalsContact OG-CZ 3.26Å; S273-Y288 PolarHBondContact OG-OH 2.79Å
274	T	95.5	Very high	94.7	Very high	70 Å²	70	61.2 Å²	61.2	43%	0.429	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.7	179.1	39.6	0	0	0	0	109.4	T249 S251	T249-T274 PolarHBondContact N-O 2.84Å; T249-T274 PolarHBondContact O-N 3.01Å; T249-T274 PolarHBondContact OG1-O 2.83Å; T249-T274 PolarHBondContact OG1-OG1 2.9Å; S251-T274 WeakPolarHBondContact CB-OG1 3.39Å
275	D	96.7	Very high	94.7	Very high	31 Å²	31	62 Å²	62	17%	0.166	34%	0.343	C	S	.	.			trans	-108.9	169.6	165.3	-134.4	-50.7	0	0	0	110.8	P248 T284 I286	P248-D275 WeakPolarHBondContact CA-OD2 3.5Å; P248-D275 VanDerWaalsContact CB-OD2 3.25Å; P248-D275 WeakPolarHBondContact CB-OD2 3.47Å; P248-D275 VanDerWaalsContact CD-OD2 3.27Å; P248-D275 WeakPolarHBondContact CD-OD2 3.47Å; D275-T284 HydrophobicContact CB-CG2 4.2Å; D275-I286 HydrophobicContact CB-CD1 4.23Å
276	K	95.8	Very high	94.8	Very high	138 Å²	138	60.6 Å²	60.6	60%	0.6	32%	0.323	S	S	*	.			trans	-113.1	-23.2	-179	-73.4	-173.2	-176.5	174	0	114.8	R209 E210 N246	R209-K276 PolarHBondContact NH2-O 2.86Å; E210-K276 HydrophobicContact CG-CB 3.89Å; E210-K276 HydrophobicContact CG-CD 4.33Å; N246-K276 HydrophobicContact CB-CB 3.99Å
277	D	95.8	Very high	94.8	Very high	5 Å²	5	62.6 Å²	62.6	3%	0.027	33%	0.325	C	S	.	.	S	Bend	trans	-54.3	178.8	176.2	-60.3	-7.2	0	0	0	112	R209 N244 N246 A279 H283 T284	R209-D277 PolarHBondContact NH2-O 2.64Å; N244-D277 WeakPolarHBondContact CA-OD2 3.38Å; N244-D277 PolarHBondContact ND2-OD2 3.05Å; N246-D277 WeakPolarHBondContact CB-OD1 3.26Å; N246-D277 PolarHBondContact N-OD1 3.37Å; N246-D277 PolarHBondContact ND2-OD1 3.27Å; D277-A279 PolarHBondContact O-N 2.83Å; D277-A279 VanDerWaalsContact O-N 3.15Å; D277-H283 HydrophobicContact CB-CB 3.7Å; D277-H283 WeakPolarHBondContact OD2-CB 3.44Å; D277-T284 VanDerWaalsContact C-CG2 3.49Å; D277-T284 HydrophobicContact CB-CG2 4.02Å; D277-T284 WeakPolarHBondContact O-CG2 3.41Å
278	E	93.3	Very high	94.8	Very high	91 Å²	91	57.1 Å²	57.1	43%	0.425	30%	0.298	S	S	.	.			trans	-65.8	117.9	-174.9	-173.1	172.5	-131.9	0	0	112.3	R209 D242 T281 T284	R209-E278 VanDerWaalsContact NH1-CA 3.31Å; R209-E278 VanDerWaalsContact NH1-CB 3.34Å; D242-E278 HydrophobicContact CB-CB 3.68Å; D242-E278 VanDerWaalsContact OD1-CB 3.28Å; D242-E278 WeakPolarHBondContact OD1-CB 3.47Å; D242-E278 PolarHBondContact OD1-N 2.76Å; D242-E278 PolarHBondContact OD2-N 2.83Å; E278-T281 HydrophobicContact CB-CG2 3.69Å; E278-T281 HydrophobicContact CG-CG2 3.74Å; E278-T281 VanDerWaalsContact O-CB 3.27Å; E278-T281 WeakPolarHBondContact O-CB 3.26Å; E278-T281 WeakPolarHBondContact O-CG2 3.07Å; E278-T281 PolarHBondContact O-N 2.94Å; E278-T281 PolarHBondContact O-OG1 3.32Å; E278-T284 WeakPolarHBondContact O-CG2 3.25Å
279	A	91.7	Very high	94.9	Very high	70 Å²	70	59.1 Å²	59.1	58%	0.579	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	151.2	179.2	0	0	0	0	0	112.8	D277 T281	D277-A279 PolarHBondContact O-N 2.83Å; D277-A279 VanDerWaalsContact O-N 3.15Å; A279-T281 PolarHBondContact O-N 2.81Å
280	D	90.4	Very high	95	Very high	147 Å²	147	59.7 Å²	59.7	79%	0.786	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	-7.4	-175.3	-62.4	-49.5	0	0	0	116.3	T284 K285	D280-T284 PolarHBondContact N-OG1 2.97Å; D280-K285 VanDerWaalsContact O-CE 3.31Å; D280-K285 WeakPolarHBondContact O-CE 3.19Å; D280-K285 PolarHBondContact O-NZ 2.69Å
281	T	91.5	Very high	95	Very high	26 Å²	26	59.5 Å²	59.5	16%	0.16	31%	0.311	C	S	.	.	S	Bend	trans	-72.9	175.6	171.3	75.1	0	0	0	0	112.2	E278 A279 H283 K285	E278-T281 HydrophobicContact CB-CG2 3.69Å; E278-T281 HydrophobicContact CG-CG2 3.74Å; E278-T281 VanDerWaalsContact O-CB 3.27Å; E278-T281 WeakPolarHBondContact O-CB 3.26Å; E278-T281 WeakPolarHBondContact O-CG2 3.07Å; E278-T281 PolarHBondContact O-N 2.94Å; E278-T281 PolarHBondContact O-OG1 3.32Å; A279-T281 PolarHBondContact O-N 2.81Å; T281-H283 WeakPolarHBondContact OG1-CB 3.23Å; T281-H283 PolarHBondContact OG1-N 3.26Å; T281-K285 VanDerWaalsContact O-CD 3.31Å; T281-K285 WeakPolarHBondContact O-CD 3.48Å; T281-K285 WeakPolarHBondContact O-CE 3.1Å; T281-K285 WeakPolarHBondContact O-CG 3.15Å; T281-K285 PolarHBondContact O-NZ 3.26Å
282	P	92.1	Very high	94.9	Very high	72 Å²	72	62.6 Å²	62.6	47%	0.468	33%	0.33	S	S	.	.	S	Bend	trans	-62.5	-26.7	165.9	-25.7	38.6	0	0	0	114.4	K285 M330	P282-K285 PolarHBondContact O-N 2.82Å; P282-M330 HydrophobicContact CB-SD 3.47Å; P282-M330 WeakPolarHBondContact CB-SD 3.45Å; P282-M330 VanDerWaalsContact O-CA 3.32Å; P282-M330 WeakPolarHBondContact O-CA 3.21Å; P282-M330 PolarHBondContact O-N 2.74Å
283	H	92.4	Very high	94.7	Very high	41 Å²	41	58.8 Å²	58.8	19%	0.19	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-40.6	-174.2	-52.4	164.3	0	0	0	110.8	D242 N244 D277 T281 K285 D329	D242-H283 IonicContact OD2-CE1 2.73Å; D242-H283 IonicContact OD2-CG 3.55Å; D242-H283 IonicContact OD2-ND1 3.8Å; D242-H283 PolarHBondContact OD2-ND1 3.14Å; N244-H283 HydrophobicContact CB-CB 4.17Å; D277-H283 HydrophobicContact CB-CB 3.7Å; D277-H283 WeakPolarHBondContact OD2-CB 3.44Å; T281-H283 WeakPolarHBondContact OG1-CB 3.23Å; T281-H283 PolarHBondContact OG1-N 3.26Å; H283-K285 VanDerWaalsContact C-N 3.29Å; H283-K285 PolarHBondContact O-N 2.84Å; H283-D329 VanDerWaalsContact O-CB 3.23Å; H283-D329 WeakPolarHBondContact O-CB 3.41Å
284	T	94.4	Very high	94.6	Very high	36 Å²	36	59.5 Å²	59.5	22%	0.221	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	11.2	173.8	71.9	0	0	0	0	114.7	D275 D277 E278 D280 I286	D275-T284 HydrophobicContact CB-CG2 4.2Å; D277-T284 VanDerWaalsContact C-CG2 3.49Å; D277-T284 HydrophobicContact CB-CG2 4.02Å; D277-T284 WeakPolarHBondContact O-CG2 3.41Å; E278-T284 WeakPolarHBondContact O-CG2 3.25Å; D280-T284 PolarHBondContact N-OG1 2.97Å; T284-I286 PolarHBondContact O-N 3.2Å; T284-I286 VanDerWaalsContact O-N 3.11Å
285	K	95	Very high	94.5	Very high	101 Å²	101	61.6 Å²	61.6	44%	0.439	33%	0.331	S	S	.	.			trans	-88	77.4	-179.1	-80.4	170	-165.8	154.8	0	111.6	D280 T281 P282 H283 D329 M330 D331	D280-K285 VanDerWaalsContact O-CE 3.31Å; D280-K285 WeakPolarHBondContact O-CE 3.19Å; D280-K285 PolarHBondContact O-NZ 2.69Å; T281-K285 VanDerWaalsContact O-CD 3.31Å; T281-K285 WeakPolarHBondContact O-CD 3.48Å; T281-K285 WeakPolarHBondContact O-CE 3.1Å; T281-K285 WeakPolarHBondContact O-CG 3.15Å; T281-K285 PolarHBondContact O-NZ 3.26Å; P282-K285 PolarHBondContact O-N 2.82Å; H283-K285 VanDerWaalsContact C-N 3.29Å; H283-K285 PolarHBondContact O-N 2.84Å; K285-D329 CarbonylContact O-C 3.53Å; K285-M330 PolarHBondContact O-N 3.4Å; K285-D331 PolarHBondContact O-N 2.97Å
286	I	96.5	Very high	94.4	Very high	22 Å²	22	62.6 Å²	62.6	11%	0.113	33%	0.334	C	S	.	.			trans	-68.4	135	179.8	-48.2	175.1	0	0	0	111.1	P248 S273 D275 T284 I327 R328	P248-I286 HydrophobicContact CB-CD1 3.75Å; P248-I286 HydrophobicContact CB-CG1 3.96Å; P248-I286 HydrophobicContact CB-CG2 4.22Å; S273-I286 VanDerWaalsContact OG-CD1 3.28Å; S273-I286 WeakPolarHBondContact OG-CD1 3.32Å; D275-I286 HydrophobicContact CB-CD1 4.23Å; T284-I286 PolarHBondContact O-N 3.2Å; T284-I286 VanDerWaalsContact O-N 3.11Å; I286-I327 HydrophobicContact CG2-CB 3.81Å; I286-I327 HydrophobicContact CG2-CG2 4.17Å; I286-R328 CarbonylContact C-O 3.6Å; I286-R328 WeakPolarHBondContact CA-O 3.16Å
287	R	97.1	Very high	94.5	Very high	93 Å²	93	56.1 Å²	56.1	35%	0.351	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.2	171	-177.3	170.9	176.9	162.4	3.2	110.8	S301 R328 D331	R287-S301 CarbonylContact C-O 3.52Å; R287-S301 VanDerWaalsContact CA-O 3.27Å; R287-S301 WeakPolarHBondContact CA-O 3.39Å; R287-R328 PolarHBondContact N-O 2.84Å; R287-R328 PolarHBondContact O-N 2.64Å; R287-D331 VanDerWaalsContact CD-C 3.47Å; R287-D331 WeakPolarHBondContact CD-O 3.47Å; R287-D331 PolarHBondContact NH1-O 3.33Å; R287-D331 IonicContact NH1-OD1 2.71Å; R287-D331 IonicContact NH1-OD2 3.22Å
288	Y	97.7	Very high	94.5	Very high	24 Å²	24	58.7 Å²	58.7	9%	0.094	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.5	178.3	-58.6	-94.8	0	0	0	110.5	V271 S273 I299 S301 E326 I327	V271-Y288 HydrophobicContact CB-CD1 4.44Å; V271-Y288 HydrophobicContact CB-CE1 4.38Å; V271-Y288 HydrophobicContact CG1-CD1 4.27Å; V271-Y288 HydrophobicContact CG1-CE1 4.12Å; V271-Y288 WeakPolarHBondContact O-CE1 3.35Å; V271-Y288 PolarHBondContact O-OH 2.6Å; S273-Y288 PolarHBondContact N-OH 3.42Å; S273-Y288 WeakPolarHBondContact OG-CE1 3.3Å; S273-Y288 VanDerWaalsContact OG-CZ 3.26Å; S273-Y288 PolarHBondContact OG-OH 2.79Å; Y288-I299 HydrophobicContact CD1-CD1 4.42Å; Y288-I299 HydrophobicContact CG-CD1 4.5Å; Y288-S301 PolarHBondContact N-O 3.26Å; Y288-E326 WeakPolarHBondContact CA-O 3.4Å; Y288-I327 HydrophobicContact CD1-CG2 3.48Å; Y288-I327 VanDerWaalsContact CD1-CG2 3.48Å; Y288-I327 HydrophobicContact CE1-CG2 3.59Å; Y288-I327 HydrophobicContact CG-CG2 4.37Å
289	T	97.3	Very high	94.7	Very high	55 Å²	55	55.6 Å²	55.6	34%	0.337	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.1	176.2	-59.9	0	0	0	0	110.7	L291 E326	T289-L291 HydrophobicContact CG2-CD2 4.43Å; T289-E326 PolarHBondContact N-O 2.89Å; T289-E326 PolarHBondContact O-N 3.01Å
290	L	97.2	Very high	95	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	114.6	177.4	-161.9	71.5	0	0	0	110.1	T292 F297 I299 V323 V325	L290-T292 WeakPolarHBondContact CG-O 3.22Å; L290-F297 HydrophobicContact CD2-CB 4.06Å; L290-I299 HydrophobicContact CB-CG2 3.87Å; L290-V323 HydrophobicContact CD1-CB 4.04Å; L290-V323 HydrophobicContact CD1-CG2 3.97Å; L290-V325 HydrophobicContact CD1-CG2 3.87Å
291	L	96.4	Very high	95.2	Very high	89 Å²	89	48.7 Å²	48.7	47%	0.466	27%	0.271	S	S	.	.			trans	-84.8	-30.7	-177.6	-59.4	-175.9	0	0	0	113	T289 T324 E326 T340	T289-L291 HydrophobicContact CG2-CD2 4.43Å; L291-T324 HydrophobicContact CB-CG2 4.45Å; L291-T324 HydrophobicContact CD1-CG2 4.19Å; L291-T324 PolarHBondContact N-O 2.85Å; L291-E326 HydrophobicContact CD1-CB 4.09Å; L291-E326 HydrophobicContact CD2-CB 4.14Å; L291-E326 HydrophobicContact CG-CB 4.03Å; L291-T340 HydrophobicContact CD1-CG2 3.94Å
292	T	95.8	Very high	95.4	Very high	65 Å²	65	53.1 Å²	53.1	40%	0.399	29%	0.289	S	S	.	.	S	Bend	trans	-139.2	151.2	179.8	60.9	0	0	0	0	110.6	L290 V323 T324	L290-T292 WeakPolarHBondContact CG-O 3.22Å; T292-V323 WeakPolarHBondContact O-CB 3.32Å; T292-T324 WeakPolarHBondContact OG1-CB 3.37Å; T292-T324 PolarHBondContact OG1-N 3.48Å; T292-T324 PolarHBondContact OG1-OG1 2.8Å; T292-T324 VanDerWaalsContact OG1-OG1 3.14Å
293	G	91.4	Very high	95.5	Very high	10 Å²	10	52.7 Å²	52.7	10%	0.103	29%	0.288	C	S	.	.			trans	84.4	2.9	-176.8	0	0	0	0	0	115.4	Q295 F296 F297	G293-Q295 VanDerWaalsContact C-OE1 3.23Å; G293-Q295 PolarHBondContact O-N 3.18Å; G293-F296 PolarHBondContact O-N 2.75Å; G293-F297 PolarHBondContact O-N 3.01Å
294	G	92.6	Very high	95.6	Very high	33 Å²	33	50.7 Å²	50.7	34%	0.34	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-3.8	179.2	0	0	0	0	0	116.1	F297 K309	G294-F297 WeakPolarHBondContact CA-O 3.39Å; G294-K309 WeakPolarHBondContact O-CD 2.9Å; G294-K309 PolarHBondContact O-NZ 2.87Å
295	Q	93.1	Very high	95.8	Very high	114 Å²	114	51.1 Å²	51.1	53%	0.533	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-30.3	166	71.7	-75.3	0.4	0	0	113	G293	G293-Q295 VanDerWaalsContact C-OE1 3.23Å; G293-Q295 PolarHBondContact O-N 3.18Å
296	F	94.8	Very high	95.9	Very high	53 Å²	53	46.3 Å²	46.3	23%	0.232	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-30	-176.2	-61.2	-47.8	0	0	0	113.6	G293 K309 T310 L313	G293-F296 PolarHBondContact O-N 2.75Å; F296-K309 WeakPolarHBondContact O-CB 3.09Å; F296-K309 PolarHBondContact O-N 2.67Å; F296-T310 HydrophobicContact CD1-CG2 3.94Å; F296-L313 HydrophobicContact CB-CD2 4Å; F296-L313 HydrophobicContact CD1-CD2 4.28Å; F296-L313 HydrophobicContact CG-CD2 4.08Å
297	F	97.2	Very high	95.9	Very high	1 Å²	1	46.7 Å²	46.7	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	160.8	-174.1	-56.6	-79.2	0	0	0	112.7	V268 L290 G293 G294 I306 T307 L313 N321 V323 I345	V268-F297 HydrophobicContact CG2-CD1 4.12Å; V268-F297 HydrophobicContact CG2-CE1 4.1Å; L290-F297 HydrophobicContact CD2-CB 4.06Å; G293-F297 PolarHBondContact O-N 3.01Å; G294-F297 WeakPolarHBondContact CA-O 3.39Å; F297-I306 HydrophobicContact CB-CG2 4.08Å; F297-I306 HydrophobicContact CD1-CG2 4.14Å; F297-I306 HydrophobicContact CG-CG2 4.35Å; F297-T307 WeakPolarHBondContact CA-O 3.27Å; F297-L313 HydrophobicContact CE1-CD1 3.68Å; F297-L313 HydrophobicContact CE2-CD2 4.27Å; F297-L313 HydrophobicContact CZ-CD1 3.75Å; F297-L313 HydrophobicContact CZ-CD2 3.85Å; F297-L313 HydrophobicContact CZ-CG 4.47Å; F297-N321 HydrophobicContact CE2-CB 3.92Å; F297-N321 HydrophobicContact CZ-CB 4.31Å; F297-V323 HydrophobicContact CD2-CG1 3.89Å; F297-V323 HydrophobicContact CE2-CG1 4.24Å; F297-I345 HydrophobicContact CD1-CD1 3.88Å; F297-I345 HydrophobicContact CD2-CD1 3.89Å; F297-I345 HydrophobicContact CE1-CD1 3.78Å; F297-I345 HydrophobicContact CE1-CG2 4.04Å; F297-I345 HydrophobicContact CE2-CD1 3.8Å; F297-I345 HydrophobicContact CG-CD1 3.93Å; F297-I345 HydrophobicContact CZ-CB 4.27Å; F297-I345 HydrophobicContact CZ-CD1 3.75Å; F297-I345 HydrophobicContact CZ-CG2 3.84Å
298	T	96.9	Very high	95.9	Very high	59 Å²	59	42.3 Å²	42.3	36%	0.362	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.8	171.1	33.9	0	0	0	0	109.9	I306 T307 K309	T298-I306 CarbonylContact O-C 3.39Å; T298-I306 WeakPolarHBondContact O-CA 3.36Å; T298-T307 PolarHBondContact N-O 2.93Å; T298-T307 PolarHBondContact O-N 2.88Å; T298-T307 PolarHBondContact O-OG1 2.94Å; T298-T307 VanDerWaalsContact O-OG1 3.07Å; T298-T307 PolarHBondContact OG1-OG1 2.63Å; T298-K309 HydrophobicContact CG2-CB 4.48Å; T298-K309 HydrophobicContact CG2-CD 4.07Å; T298-K309 HydrophobicContact CG2-CG 4.04Å
299	I	97.8	Very high	95.8	Very high	27 Å²	27	46.1 Å²	46.1	14%	0.138	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.5	176.4	-164.9	165.7	0	0	0	110.6	V271 Y288 L290 S301 L305 I306 V325	V271-I299 HydrophobicContact CB-CD1 4.37Å; V271-I299 HydrophobicContact CG2-CD1 4.21Å; Y288-I299 HydrophobicContact CD1-CD1 4.42Å; Y288-I299 HydrophobicContact CG-CD1 4.5Å; L290-I299 HydrophobicContact CB-CG2 3.87Å; I299-S301 PolarHBondContact O-N 3.3Å; I299-L305 CarbonylContact C-O 3.57Å; I299-L305 WeakPolarHBondContact CA-O 3.39Å; I299-I306 HydrophobicContact CB-CG1 4.39Å; I299-I306 HydrophobicContact CD1-CD1 4.49Å; I299-I306 HydrophobicContact CD1-CG1 3.89Å; I299-I306 HydrophobicContact CG1-CG1 4Å; I299-V325 HydrophobicContact CD1-CG1 3.87Å; I299-V325 HydrophobicContact CD1-CG2 4.3Å
300	G	97	Very high	95.6	Very high	24 Å²	24	44.9 Å²	44.9	25%	0.247	26%	0.255	C	S	.	.			trans	-68.3	120.6	173.6	0	0	0	0	0	110.8	H302 S303 G304 L305	G300-H302 PolarHBondContact O-N 2.74Å; G300-S303 PolarHBondContact O-N 3.35Å; G300-G304 PolarHBondContact O-N 3.26Å; G300-L305 PolarHBondContact N-O 2.57Å
301	S	96.1	Very high	95.3	Very high	48 Å²	48	46.4 Å²	46.4	34%	0.336	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-26	-169.2	52.1	0	0	0	0	115	R287 Y288 I299	R287-S301 CarbonylContact C-O 3.52Å; R287-S301 VanDerWaalsContact CA-O 3.27Å; R287-S301 WeakPolarHBondContact CA-O 3.39Å; Y288-S301 PolarHBondContact N-O 3.26Å; I299-S301 PolarHBondContact O-N 3.3Å
302	H	94.4	Very high	95.1	Very high	118 Å²	118	46.6 Å²	46.6	55%	0.546	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-13.8	-178.2	-60.3	92.5	0	0	0	113.5	G300 D331	G300-H302 PolarHBondContact O-N 2.74Å; H302-D331 IonicContact CD2-OD1 3.88Å; H302-D331 IonicContact CE1-OD1 2.66Å; H302-D331 IonicContact NE2-OD1 3.39Å; H302-D331 PolarHBondContact NE2-OD1 3.42Å
303	S	95	Very high	95	Very high	63 Å²	63	43.7 Å²	43.7	44%	0.441	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-12.7	-178.8	58.4	0	0	0	0	114.1	E270 G300 L305	E270-S303 WeakPolarHBondContact CG-O 3.27Å; G300-S303 PolarHBondContact O-N 3.35Å; S303-L305 PolarHBondContact O-N 3.26Å
304	G	94.8	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.265	C	S	.	.			trans	66.6	-0	-175.9	0	0	0	0	0	114.9	V271 G300 I306	V271-G304 PolarHBondContact N-O 2.69Å; V271-G304 WeakPolarHBondContact O-CA 3.17Å; G300-G304 PolarHBondContact O-N 3.26Å; G304-I306 PolarHBondContact O-N 2.78Å
305	L	97.4	Very high	95.3	Very high	45 Å²	45	45.7 Å²	45.7	24%	0.236	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	115	-177.7	180	61.4	0	0	0	111.2	E267 I299 G300 S303 T307	E267-L305 HydrophobicContact CB-CD1 4.27Å; E267-L305 HydrophobicContact CG-CD1 4.31Å; E267-L305 HydrophobicContact CG-CD2 4.2Å; I299-L305 CarbonylContact C-O 3.57Å; I299-L305 WeakPolarHBondContact CA-O 3.39Å; G300-L305 PolarHBondContact N-O 2.57Å; S303-L305 PolarHBondContact O-N 3.26Å; L305-T307 HydrophobicContact CG-CG2 4.34Å
306	I	97.4	Very high	95.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	134.4	171.1	-58.1	178.7	0	0	0	109.1	F256 V268 G269 V271 F297 T298 I299 G304 A343 I345	F256-I306 HydrophobicContact CD2-CD1 4.27Å; F256-I306 HydrophobicContact CE2-CD1 4.04Å; V268-I306 HydrophobicContact CB-CB 4.24Å; V268-I306 HydrophobicContact CB-CG2 3.98Å; V268-I306 HydrophobicContact CG1-CG2 4.33Å; V268-I306 HydrophobicContact CG2-CG2 4.29Å; V268-I306 PolarHBondContact N-O 3.08Å; G269-I306 PolarHBondContact O-N 3.01Å; V271-I306 HydrophobicContact CG2-CD1 3.66Å; V271-I306 HydrophobicContact CG2-CG1 4.08Å; F297-I306 HydrophobicContact CB-CG2 4.08Å; F297-I306 HydrophobicContact CD1-CG2 4.14Å; F297-I306 HydrophobicContact CG-CG2 4.35Å; T298-I306 CarbonylContact O-C 3.39Å; T298-I306 WeakPolarHBondContact O-CA 3.36Å; I299-I306 HydrophobicContact CB-CG1 4.39Å; I299-I306 HydrophobicContact CD1-CD1 4.49Å; I299-I306 HydrophobicContact CD1-CG1 3.89Å; I299-I306 HydrophobicContact CG1-CG1 4Å; G304-I306 PolarHBondContact O-N 2.78Å; I306-A343 HydrophobicContact CD1-CB 4.46Å; I306-I345 HydrophobicContact CG2-CD1 4.14Å
307	T	97.3	Very high	95.3	Very high	29 Å²	29	45.6 Å²	45.6	18%	0.178	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147	178.6	45.2	0	0	0	0	110.5	T266 E267 F297 T298 L305	T266-T307 CarbonylContact O-C 3.56Å; T266-T307 VanDerWaalsContact O-CA 3.27Å; T266-T307 WeakPolarHBondContact O-CA 3.2Å; E267-T307 HydrophobicContact CG-CG2 4.39Å; F297-T307 WeakPolarHBondContact CA-O 3.27Å; T298-T307 PolarHBondContact N-O 2.93Å; T298-T307 PolarHBondContact O-N 2.88Å; T298-T307 PolarHBondContact O-OG1 2.94Å; T298-T307 VanDerWaalsContact O-OG1 3.07Å; T298-T307 PolarHBondContact OG1-OG1 2.63Å; L305-T307 HydrophobicContact CG-CG2 4.34Å
308	A	97.2	Very high	95.1	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.4	171.7	0	0	0	0	0	110.4	C262 G265 T266 V268 L313	C262-A308 VanDerWaalsContact SG-CB 3.56Å; G265-A308 PolarHBondContact N-O 2.82Å; T266-A308 PolarHBondContact O-N 2.8Å; V268-A308 HydrophobicContact CG2-CB 4.49Å; A308-L313 HydrophobicContact CB-CD1 4.4Å
309	K	95.4	Very high	95	Very high	105 Å²	105	50.3 Å²	50.3	46%	0.457	28%	0.284	S	S	.	.			trans	-95.6	-20.8	-177.7	-163.5	-169.6	-175.2	-172.5	0	112.9	G294 F296 T298	G294-K309 WeakPolarHBondContact O-CD 2.9Å; G294-K309 PolarHBondContact O-NZ 2.87Å; F296-K309 WeakPolarHBondContact O-CB 3.09Å; F296-K309 PolarHBondContact O-N 2.67Å; T298-K309 HydrophobicContact CG2-CB 4.48Å; T298-K309 HydrophobicContact CG2-CD 4.07Å; T298-K309 HydrophobicContact CG2-CG 4.04Å
310	T	93	Very high	94.9	Very high	29 Å²	29	52.3 Å²	52.3	18%	0.178	30%	0.298	C	S	.	.			trans	-146.2	150.6	-172.4	-176.1	0	0	0	0	110.2	F296 T312	F296-T310 HydrophobicContact CD1-CG2 3.94Å; T310-T312 VanDerWaalsContact CG2-OG1 3.25Å; T310-T312 WeakPolarHBondContact CG2-OG1 3.35Å; T310-T312 PolarHBondContact OG1-N 2.8Å; T310-T312 PolarHBondContact OG1-OG1 3.45Å
311	S	90.6	Very high	94.8	Very high	62 Å²	62	51.6 Å²	51.6	43%	0.434	29%	0.288	S	S	.	.	S	Bend	trans	-89.6	18.2	169.2	62.8	0	0	0	0	112.8	C262 L313	C262-S311 WeakPolarHBondContact O-CA 2.91Å; C262-S311 WeakPolarHBondContact O-CB 3.24Å; S311-L313 VanDerWaalsContact C-N 3.34Å
312	T	91.6	Very high	94.8	Very high	92 Å²	92	52.3 Å²	52.3	56%	0.564	30%	0.297	S	S	*	.			trans	-101.5	32.9	173.6	67.2	0	0	0	0	111.3	T310	T310-T312 VanDerWaalsContact CG2-OG1 3.25Å; T310-T312 WeakPolarHBondContact CG2-OG1 3.35Å; T310-T312 PolarHBondContact OG1-N 2.8Å; T310-T312 PolarHBondContact OG1-OG1 3.45Å
313	L	93.9	Very high	94.9	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.021	27%	0.271	C	S	.	.			trans	-86.9	131.3	161.7	-73.4	171.5	0	0	0	106.5	Q261 F296 F297 A308 S311 L347	Q261-L313 PolarHBondContact N-O 2.75Å; F296-L313 HydrophobicContact CB-CD2 4Å; F296-L313 HydrophobicContact CD1-CD2 4.28Å; F296-L313 HydrophobicContact CG-CD2 4.08Å; F297-L313 HydrophobicContact CE1-CD1 3.68Å; F297-L313 HydrophobicContact CE2-CD2 4.27Å; F297-L313 HydrophobicContact CZ-CD1 3.75Å; F297-L313 HydrophobicContact CZ-CD2 3.85Å; F297-L313 HydrophobicContact CZ-CG 4.47Å; A308-L313 HydrophobicContact CB-CD1 4.4Å; S311-L313 VanDerWaalsContact C-N 3.34Å; L313-L347 HydrophobicContact CB-CD1 4.04Å; L313-L347 HydrophobicContact CB-CD2 4.1Å; L313-L347 HydrophobicContact CD1-CD2 4.16Å; L313-L347 HydrophobicContact CD2-CD1 4.39Å; L313-L347 HydrophobicContact CD2-CD2 4.25Å; L313-L347 HydrophobicContact CG-CD2 4.4Å
314	D	94.1	Very high	95	Very high	59 Å²	59	45.4 Å²	45.4	32%	0.316	26%	0.26	S	S	.	.			trans	-151.6	119	-162	164.2	-36.2	0	0	0	105.6	E260 E316 T317 Q318	E260-D314 WeakPolarHBondContact OE2-CA 3.46Å; D314-E316 PolarHBondContact OD1-N 2.91Å; D314-T317 WeakPolarHBondContact OD1-CA 3.01Å; D314-T317 WeakPolarHBondContact OD1-CB 3.33Å; D314-T317 PolarHBondContact OD1-N 3.44Å; D314-T317 PolarHBondContact OD1-OG1 3.28Å; D314-T317 PolarHBondContact OD2-OG1 2.97Å; D314-T317 VanDerWaalsContact OD2-OG1 3.14Å; D314-Q318 PolarHBondContact O-N 2.56Å
315	R	95.4	Very high	95.1	Very high	27 Å²	27	45.4 Å²	45.4	10%	0.102	26%	0.26	C	S	.	.	H	α-helix	trans	-84.6	-33.9	-167.9	-176.8	-137.7	61.1	119.5	0.3	110.9	E260 T317 Q318 V319 L347 D349 K383 E385	E260-R315 HydrophobicContact CB-CB 4.44Å; E260-R315 VanDerWaalsContact CD-CB 3.44Å; E260-R315 VanDerWaalsContact OE1-CB 3.28Å; E260-R315 WeakPolarHBondContact OE1-CB 3.27Å; E260-R315 WeakPolarHBondContact OE2-CB 3.06Å; E260-R315 PolarHBondContact OE2-N 2.75Å; R315-T317 PolarHBondContact O-N 2.69Å; R315-Q318 CarbonylContact O-C 3.57Å; R315-Q318 PolarHBondContact O-N 3.34Å; R315-V319 HydrophobicContact CG-CB 4.32Å; R315-V319 HydrophobicContact CG-CG1 4.16Å; R315-V319 HydrophobicContact CG-CG2 4.2Å; R315-V319 VanDerWaalsContact O-CG2 3.31Å; R315-V319 WeakPolarHBondContact O-CG2 3.16Å; R315-V319 PolarHBondContact O-N 3.44Å; R315-L347 HydrophobicContact CB-CB 4.03Å; R315-L347 HydrophobicContact CB-CD1 4.44Å; R315-L347 HydrophobicContact CG-CB 4.13Å; R315-D349 VanDerWaalsContact CD-OD1 3.27Å; R315-D349 WeakPolarHBondContact CD-OD1 3.34Å; R315-D349 IonicContact CZ-OD1 2.8Å; R315-D349 IonicContact NE-OD1 2.69Å; R315-D349 PolarHBondContact NE-OD1 2.79Å; R315-D349 IonicContact NH1-OD1 2.84Å; R315-D349 PolarHBondContact NH1-OD1 2.96Å; R315-D349 IonicContact NH2-OD1 3.07Å; R315-K383 PolarHBondContact NH2-O 2.8Å; R315-E385 VanDerWaalsContact NH1-CA 3.32Å
316	E	94.7	Very high	95.2	Very high	55 Å²	55	44.4 Å²	44.4	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-61.2	-34	174	-62.2	59.1	-111.8	0	0	110.6	D314 K383	D314-E316 PolarHBondContact OD1-N 2.91Å; E316-K383 HydrophobicContact CG-CB 3.8Å; E316-K383 HydrophobicContact CG-CD 4.35Å
317	T	93.4	Very high	95.2	Very high	110 Å²	110	44.4 Å²	44.4	68%	0.675	26%	0.255	S	S	*	.	H	α-helix	trans	-81.3	-48.6	173	-61	0	0	0	0	111.7	D314 R315	D314-T317 WeakPolarHBondContact OD1-CA 3.01Å; D314-T317 WeakPolarHBondContact OD1-CB 3.33Å; D314-T317 PolarHBondContact OD1-N 3.44Å; D314-T317 PolarHBondContact OD1-OG1 3.28Å; D314-T317 PolarHBondContact OD2-OG1 2.97Å; D314-T317 VanDerWaalsContact OD2-OG1 3.14Å; R315-T317 PolarHBondContact O-N 2.69Å
318	Q	93.2	Very high	95.2	Very high	91 Å²	91	44.8 Å²	44.8	43%	0.425	25%	0.253	S	S	.	.	H	α-helix	trans	-154.8	85.5	-178.3	-165.1	-179.1	-26	0	0	115	D314 R315 V320 N321 L347	D314-Q318 PolarHBondContact O-N 2.56Å; R315-Q318 CarbonylContact O-C 3.57Å; R315-Q318 PolarHBondContact O-N 3.34Å; Q318-V320 WeakPolarHBondContact CG-O 3.27Å; Q318-V320 PolarHBondContact NE2-O 2.83Å; Q318-V320 PolarHBondContact O-N 2.81Å; Q318-V320 VanDerWaalsContact O-N 3.08Å; Q318-N321 PolarHBondContact O-ND2 3Å; Q318-L347 WeakPolarHBondContact O-CD1 3.21Å
319	V	95.2	Very high	95.2	Very high	68 Å²	68	44.8 Å²	44.8	41%	0.412	25%	0.252	S	S	.	.	S	Bend	trans	-44.1	-39.9	172.8	-165.1	0	0	0	0	114.8	R315 T346 L347	R315-V319 HydrophobicContact CG-CB 4.32Å; R315-V319 HydrophobicContact CG-CG1 4.16Å; R315-V319 HydrophobicContact CG-CG2 4.2Å; R315-V319 VanDerWaalsContact O-CG2 3.31Å; R315-V319 WeakPolarHBondContact O-CG2 3.16Å; R315-V319 PolarHBondContact O-N 3.44Å; V319-T346 HydrophobicContact CG1-CG2 4.44Å; V319-L347 PolarHBondContact O-N 2.94Å
320	V	95.9	Very high	95.2	Very high	69 Å²	69	42.2 Å²	42.2	42%	0.418	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.8	-172.5	-178.4	0	0	0	0	112.2	Q318 T344 T346	Q318-V320 WeakPolarHBondContact CG-O 3.27Å; Q318-V320 PolarHBondContact NE2-O 2.83Å; Q318-V320 PolarHBondContact O-N 2.81Å; Q318-V320 VanDerWaalsContact O-N 3.08Å; V320-T344 HydrophobicContact CG1-CG2 3.52Å; V320-T346 HydrophobicContact CG2-CG2 4.46Å
321	N	95.1	Very high	95.2	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	108.8	178.8	-80.2	-91.8	0	0	0	110.7	F297 Q318 I345	F297-N321 HydrophobicContact CE2-CB 3.92Å; F297-N321 HydrophobicContact CZ-CB 4.31Å; Q318-N321 PolarHBondContact O-ND2 3Å; N321-I345 HydrophobicContact CB-CB 4.36Å; N321-I345 PolarHBondContact N-O 3.35Å; N321-I345 PolarHBondContact O-N 3.44Å
322	A	95.6	Very high	95.4	Very high	63 Å²	63	42.7 Å²	42.7	52%	0.521	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	122	173.8	0	0	0	0	0	110.4	T342	A322-T342 HydrophobicContact CB-CG2 3.89Å
323	V	96.3	Very high	95.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.3	-177.2	-54.9	0	0	0	0	110.8	L290 T292 F297 T342 A343 I345	L290-V323 HydrophobicContact CD1-CB 4.04Å; L290-V323 HydrophobicContact CD1-CG2 3.97Å; T292-V323 WeakPolarHBondContact O-CB 3.32Å; F297-V323 HydrophobicContact CD2-CG1 3.89Å; F297-V323 HydrophobicContact CE2-CG1 4.24Å; V323-T342 CarbonylContact O-C 3.53Å; V323-T342 WeakPolarHBondContact O-CA 3.14Å; V323-A343 HydrophobicContact CG2-CB 3.98Å; V323-A343 PolarHBondContact N-O 2.84Å; V323-A343 PolarHBondContact O-N 3.4Å; V323-I345 HydrophobicContact CG1-CD1 4.25Å; V323-I345 HydrophobicContact CG2-CD1 3.78Å; V323-I345 HydrophobicContact CG2-CG1 4.41Å
324	T	97.6	Very high	95.3	Very high	34 Å²	34	49.9 Å²	49.9	21%	0.209	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123.5	-176.5	-50.6	0	0	0	0	109.9	L291 T292 A341	L291-T324 HydrophobicContact CB-CG2 4.45Å; L291-T324 HydrophobicContact CD1-CG2 4.19Å; L291-T324 PolarHBondContact N-O 2.85Å; T292-T324 WeakPolarHBondContact OG1-CB 3.37Å; T292-T324 PolarHBondContact OG1-N 3.48Å; T292-T324 PolarHBondContact OG1-OG1 2.8Å; T292-T324 VanDerWaalsContact OG1-OG1 3.14Å; T324-A341 WeakPolarHBondContact CA-O 3.44Å
325	V	97.8	Very high	95.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.3	177.9	-175.8	0	0	0	0	108.9	F250 V271 L290 I299 T340 A341 A343	F250-V325 HydrophobicContact CE1-CB 4.33Å; F250-V325 HydrophobicContact CE1-CG1 4.19Å; V271-V325 HydrophobicContact CG1-CG1 4.38Å; V271-V325 HydrophobicContact CG2-CG2 4.4Å; L290-V325 HydrophobicContact CD1-CG2 3.87Å; I299-V325 HydrophobicContact CD1-CG1 3.87Å; I299-V325 HydrophobicContact CD1-CG2 4.3Å; V325-T340 VanDerWaalsContact O-CA 3.3Å; V325-T340 WeakPolarHBondContact O-CA 3.24Å; V325-A341 PolarHBondContact N-O 2.86Å; V325-A341 PolarHBondContact O-N 2.81Å; V325-A343 HydrophobicContact CG2-CB 4.41Å
326	E	97.6	Very high	95.2	Very high	24 Å²	24	51.5 Å²	51.5	11%	0.112	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.8	162.3	-177.6	177.1	98.3	0	0	109.3	Y288 T289 L291 R328 F338 N339 T340	Y288-E326 WeakPolarHBondContact CA-O 3.4Å; T289-E326 PolarHBondContact N-O 2.89Å; T289-E326 PolarHBondContact O-N 3.01Å; L291-E326 HydrophobicContact CD1-CB 4.09Å; L291-E326 HydrophobicContact CD2-CB 4.14Å; L291-E326 HydrophobicContact CG-CB 4.03Å; E326-R328 HydrophobicContact CG-CB 4.41Å; E326-R328 IonicContact OE1-CZ 2.9Å; E326-R328 IonicContact OE1-NE 2.98Å; E326-R328 PolarHBondContact OE1-NE 2.96Å; E326-R328 IonicContact OE1-NH2 3.55Å; E326-R328 PolarHBondContact OE1-NH2 2.77Å; E326-R328 IonicContact OE2-CZ 3.35Å; E326-R328 IonicContact OE2-NE 2.78Å; E326-R328 IonicContact OE2-NH2 3Å; E326-R328 PolarHBondContact OE2-NH2 2.83Å; E326-F338 HydrophobicContact CG-CB 4.22Å; E326-F338 HydrophobicContact CG-CD2 4.11Å; E326-F338 WeakPolarHBondContact OE2-CD2 3.4Å; E326-N339 WeakPolarHBondContact CA-O 3.23Å; E326-T340 HydrophobicContact CB-CG2 4.07Å; E326-T340 HydrophobicContact CG-CG2 4.18Å
327	I	97.9	Very high	95.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.7	160.8	53.1	-177.8	0	0	0	107.8	P248 F250 I286 Y288 F338 N339	P248-I327 HydrophobicContact CB-CB 4.42Å; P248-I327 HydrophobicContact CB-CD1 4.06Å; P248-I327 HydrophobicContact CB-CG1 4.16Å; P248-I327 HydrophobicContact CG-CB 4.46Å; P248-I327 HydrophobicContact CG-CG1 4.24Å; P248-I327 WeakPolarHBondContact O-CD1 3.46Å; F250-I327 HydrophobicContact CD1-CD1 3.93Å; F250-I327 HydrophobicContact CD1-CG2 4.36Å; F250-I327 HydrophobicContact CD2-CD1 3.61Å; F250-I327 HydrophobicContact CD2-CG1 4.32Å; F250-I327 HydrophobicContact CE1-CB 4.47Å; F250-I327 HydrophobicContact CE1-CD1 3.88Å; F250-I327 HydrophobicContact CE1-CG1 4.1Å; F250-I327 HydrophobicContact CE1-CG2 3.66Å; F250-I327 HydrophobicContact CE2-CD1 3.53Å; F250-I327 HydrophobicContact CE2-CG1 3.71Å; F250-I327 HydrophobicContact CG-CD1 3.81Å; F250-I327 HydrophobicContact CZ-CB 4.27Å; F250-I327 HydrophobicContact CZ-CD1 3.68Å; F250-I327 HydrophobicContact CZ-CG1 3.6Å; F250-I327 HydrophobicContact CZ-CG2 3.91Å; I286-I327 HydrophobicContact CG2-CB 3.81Å; I286-I327 HydrophobicContact CG2-CG2 4.17Å; Y288-I327 HydrophobicContact CD1-CG2 3.48Å; Y288-I327 VanDerWaalsContact CD1-CG2 3.48Å; Y288-I327 HydrophobicContact CE1-CG2 3.59Å; Y288-I327 HydrophobicContact CG-CG2 4.37Å; I327-F338 CarbonylContact O-C 3.57Å; I327-F338 WeakPolarHBondContact O-CA 3.39Å; I327-F338 VanDerWaalsContact O-CB 3.31Å; I327-F338 WeakPolarHBondContact O-CB 3.45Å; I327-N339 HydrophobicContact CD1-CB 4.27Å; I327-N339 HydrophobicContact CG1-CB 3.95Å; I327-N339 PolarHBondContact N-O 3.19Å; I327-N339 PolarHBondContact O-N 2.9Å
328	R	97.6	Very high	95.4	Very high	37 Å²	37	51.6 Å²	51.6	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	133.1	-177.4	-179.1	177.9	-61.8	-79	-3.6	109.7	I286 R287 E326 G336 L337 F338	I286-R328 CarbonylContact C-O 3.6Å; I286-R328 WeakPolarHBondContact CA-O 3.16Å; R287-R328 PolarHBondContact N-O 2.84Å; R287-R328 PolarHBondContact O-N 2.64Å; E326-R328 HydrophobicContact CG-CB 4.41Å; E326-R328 IonicContact OE1-CZ 2.9Å; E326-R328 IonicContact OE1-NE 2.98Å; E326-R328 PolarHBondContact OE1-NE 2.96Å; E326-R328 IonicContact OE1-NH2 3.55Å; E326-R328 PolarHBondContact OE1-NH2 2.77Å; E326-R328 IonicContact OE2-CZ 3.35Å; E326-R328 IonicContact OE2-NE 2.78Å; E326-R328 IonicContact OE2-NH2 3Å; E326-R328 PolarHBondContact OE2-NH2 2.83Å; R328-G336 PolarHBondContact NH1-O 2.81Å; R328-L337 WeakPolarHBondContact CA-O 3.46Å; R328-L337 WeakPolarHBondContact CG-O 3.37Å; R328-F338 HydrophobicContact CB-CB 3.88Å; R328-F338 HydrophobicContact CG-CB 4.02Å; R328-F338 VanDerWaalsContact CZ-CG 3.47Å; R328-F338 VanDerWaalsContact NH2-CD2 3.29Å
329	D	97	Very high	95.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-70.9	-171.4	178	64.1	46.2	0	0	0	113.1	N244 P248 H283 K285 D331 G332 G336 L337	N244-D329 PolarHBondContact ND2-OD2 2.85Å; N244-D329 PolarHBondContact OD1-OD2 2.98Å; P248-D329 HydrophobicContact CG-CB 4.49Å; H283-D329 VanDerWaalsContact O-CB 3.23Å; H283-D329 WeakPolarHBondContact O-CB 3.41Å; K285-D329 CarbonylContact O-C 3.53Å; D329-D331 PolarHBondContact O-N 3.33Å; D329-D331 VanDerWaalsContact O-N 3.12Å; D329-G332 WeakPolarHBondContact O-CA 3.43Å; D329-G332 PolarHBondContact O-N 2.85Å; D329-G336 WeakPolarHBondContact OD1-CA 3.34Å; D329-L337 VanDerWaalsContact CG-N 3.29Å; D329-L337 PolarHBondContact N-O 2.91Å; D329-L337 PolarHBondContact OD1-N 2.93Å; D329-L337 VanDerWaalsContact OD2-CA 3.26Å; D329-L337 WeakPolarHBondContact OD2-CA 3.36Å; D329-L337 WeakPolarHBondContact OD2-CB 3.31Å; D329-L337 PolarHBondContact OD2-N 2.81Å
330	M	95.1	Very high	95.7	Very high	51 Å²	51	50.2 Å²	50.2	25%	0.251	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	56.1	35.4	170	-68.3	-78.5	-89.4	0	0	113.7	P282 K285 G332 A333	P282-M330 HydrophobicContact CB-SD 3.47Å; P282-M330 WeakPolarHBondContact CB-SD 3.45Å; P282-M330 VanDerWaalsContact O-CA 3.32Å; P282-M330 WeakPolarHBondContact O-CA 3.21Å; P282-M330 PolarHBondContact O-N 2.74Å; K285-M330 PolarHBondContact O-N 3.4Å; M330-G332 PolarHBondContact O-N 2.97Å; M330-A333 HydrophobicContact CB-CB 3.76Å; M330-A333 VanDerWaalsContact O-CB 3.29Å; M330-A333 WeakPolarHBondContact O-CB 3.3Å; M330-A333 PolarHBondContact O-N 3.22Å
331	D	94.6	Very high	95.7	Very high	74 Å²	74	48 Å²	48	40%	0.396	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	52.6	31.3	-171.6	-169.1	33.2	0	0	0	113.8	K285 R287 H302 D329	K285-D331 PolarHBondContact O-N 2.97Å; R287-D331 VanDerWaalsContact CD-C 3.47Å; R287-D331 WeakPolarHBondContact CD-O 3.47Å; R287-D331 PolarHBondContact NH1-O 3.33Å; R287-D331 IonicContact NH1-OD1 2.71Å; R287-D331 IonicContact NH1-OD2 3.22Å; H302-D331 IonicContact CD2-OD1 3.88Å; H302-D331 IonicContact CE1-OD1 2.66Å; H302-D331 IonicContact NE2-OD1 3.39Å; H302-D331 PolarHBondContact NE2-OD1 3.42Å; D329-D331 PolarHBondContact O-N 3.33Å; D329-D331 VanDerWaalsContact O-N 3.12Å
332	G	92.9	Very high	95.9	Very high	28 Å²	28	51 Å²	51	29%	0.289	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	78.5	24.6	-176.3	0	0	0	0	0	114.9	D329 M330	D329-G332 WeakPolarHBondContact O-CA 3.43Å; D329-G332 PolarHBondContact O-N 2.85Å; M330-G332 PolarHBondContact O-N 2.97Å
333	A	93.4	Very high	95.9	Very high	32 Å²	32	48 Å²	48	26%	0.264	26%	0.259	S	S	.	.			trans	-60.9	150.3	177	0	0	0	0	0	112.3	M330 N335 G336	M330-A333 HydrophobicContact CB-CB 3.76Å; M330-A333 VanDerWaalsContact O-CB 3.29Å; M330-A333 WeakPolarHBondContact O-CB 3.3Å; M330-A333 PolarHBondContact O-N 3.22Å; A333-N335 PolarHBondContact O-N 2.92Å; A333-N335 VanDerWaalsContact O-N 3.13Å; A333-G336 PolarHBondContact O-N 3.13Å
334	K	91.7	Very high	96	Very high	215 Å²	215	50.4 Å²	50.4	94%	0.935	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.9	-177.6	-68.6	-172.8	178.1	-177.3	0	114.7
335	N	91.2	Very high	96	Very high	114 Å²	114	48.8 Å²	48.8	61%	0.61	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	0.8	176.2	64.6	-85.7	0	0	0	112.9	A333	A333-N335 PolarHBondContact O-N 2.92Å; A333-N335 VanDerWaalsContact O-N 3.13Å
336	G	94.5	Very high	96	Very high	5 Å²	5	51.3 Å²	51.3	5%	0.052	28%	0.279	C	S	.	.	S	Bend	trans	-80.4	144.3	179	0	0	0	0	0	112.6	R328 D329 A333	R328-G336 PolarHBondContact NH1-O 2.81Å; D329-G336 WeakPolarHBondContact OD1-CA 3.34Å; A333-G336 PolarHBondContact O-N 3.13Å
337	L	96.1	Very high	95.9	Very high	63 Å²	63	50.4 Å²	50.4	33%	0.33	28%	0.275	S	S	.	.			trans	-71.2	158.7	174.1	-54.5	174.9	0	0	0	110.1	N244 D245 A247 R328 D329	N244-L337 WeakPolarHBondContact OD1-CG 3.06Å; D245-L337 VanDerWaalsContact O-CD1 3.32Å; D245-L337 WeakPolarHBondContact O-CD1 3.22Å; A247-L337 HydrophobicContact CB-CB 3.82Å; A247-L337 HydrophobicContact CB-CD1 4.39Å; R328-L337 WeakPolarHBondContact CA-O 3.46Å; R328-L337 WeakPolarHBondContact CG-O 3.37Å; D329-L337 VanDerWaalsContact CG-N 3.29Å; D329-L337 PolarHBondContact N-O 2.91Å; D329-L337 PolarHBondContact OD1-N 2.93Å; D329-L337 VanDerWaalsContact OD2-CA 3.26Å; D329-L337 WeakPolarHBondContact OD2-CA 3.36Å; D329-L337 WeakPolarHBondContact OD2-CB 3.31Å; D329-L337 PolarHBondContact OD2-N 2.81Å
338	F	97.3	Very high	95.8	Very high	105 Å²	105	54 Å²	54	46%	0.461	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	159.8	-171	72.1	-74.7	0	0	0	112.3	E326 I327 R328 T340	E326-F338 HydrophobicContact CG-CB 4.22Å; E326-F338 HydrophobicContact CG-CD2 4.11Å; E326-F338 WeakPolarHBondContact OE2-CD2 3.4Å; I327-F338 CarbonylContact O-C 3.57Å; I327-F338 WeakPolarHBondContact O-CA 3.39Å; I327-F338 VanDerWaalsContact O-CB 3.31Å; I327-F338 WeakPolarHBondContact O-CB 3.45Å; R328-F338 HydrophobicContact CB-CB 3.88Å; R328-F338 HydrophobicContact CG-CB 4.02Å; R328-F338 VanDerWaalsContact CZ-CG 3.47Å; R328-F338 VanDerWaalsContact NH2-CD2 3.29Å; F338-T340 HydrophobicContact CD2-CG2 4.31Å
339	N	97.4	Very high	95.7	Very high	63 Å²	63	53.1 Å²	53.1	34%	0.337	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.9	177.6	-158.6	-10.5	0	0	0	109.6	P248 F250 E326 I327	P248-N339 WeakPolarHBondContact O-CB 3.28Å; P248-N339 PolarHBondContact O-ND2 3.24Å; F250-N339 HydrophobicContact CE2-CB 4.4Å; E326-N339 WeakPolarHBondContact CA-O 3.23Å; I327-N339 HydrophobicContact CD1-CB 4.27Å; I327-N339 HydrophobicContact CG1-CB 3.95Å; I327-N339 PolarHBondContact N-O 3.19Å; I327-N339 PolarHBondContact O-N 2.9Å
340	T	97.3	Very high	95.6	Very high	66 Å²	66	54.2 Å²	54.2	41%	0.405	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	138.3	-176.8	59.1	0	0	0	0	111.7	L291 V325 E326 F338	L291-T340 HydrophobicContact CD1-CG2 3.94Å; V325-T340 VanDerWaalsContact O-CA 3.3Å; V325-T340 WeakPolarHBondContact O-CA 3.24Å; E326-T340 HydrophobicContact CB-CG2 4.07Å; E326-T340 HydrophobicContact CG-CG2 4.18Å; F338-T340 HydrophobicContact CD2-CG2 4.31Å
341	A	96.6	Very high	95.5	Very high	22 Å²	22	51.9 Å²	51.9	18%	0.182	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	157.1	175.3	0	0	0	0	0	111.1	F250 L254 T324 V325	F250-A341 HydrophobicContact CD1-CB 4.47Å; F250-A341 HydrophobicContact CD2-CB 3.64Å; F250-A341 HydrophobicContact CE1-CB 4.27Å; F250-A341 HydrophobicContact CE2-CB 3.4Å; F250-A341 VanDerWaalsContact CE2-CB 3.4Å; F250-A341 HydrophobicContact CG-CB 4.18Å; F250-A341 HydrophobicContact CZ-CB 3.74Å; L254-A341 HydrophobicContact CD1-CB 3.46Å; L254-A341 VanDerWaalsContact CD1-CB 3.46Å; T324-A341 WeakPolarHBondContact CA-O 3.44Å; V325-A341 PolarHBondContact N-O 2.86Å; V325-A341 PolarHBondContact O-N 2.81Å
342	T	97.3	Very high	95.4	Very high	74 Å²	74	48.9 Å²	48.9	45%	0.454	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	119.9	176.1	-59.9	0	0	0	0	109.5	A322 V323	A322-T342 HydrophobicContact CB-CG2 3.89Å; V323-T342 CarbonylContact O-C 3.53Å; V323-T342 WeakPolarHBondContact O-CA 3.14Å
343	A	96.9	Very high	95.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.9	164.2	0	0	0	0	0	110.2	L254 F256 I306 V323 V325	L254-A343 HydrophobicContact CB-CB 4.47Å; L254-A343 CarbonylContact O-C 3.44Å; L254-A343 VanDerWaalsContact O-CA 3.25Å; L254-A343 WeakPolarHBondContact O-CA 3.42Å; F256-A343 HydrophobicContact CD2-CB 4.22Å; F256-A343 HydrophobicContact CE2-CB 3.95Å; I306-A343 HydrophobicContact CD1-CB 4.46Å; V323-A343 HydrophobicContact CG2-CB 3.98Å; V323-A343 PolarHBondContact N-O 2.84Å; V323-A343 PolarHBondContact O-N 3.4Å; V325-A343 HydrophobicContact CG2-CB 4.41Å
344	T	97.8	Very high	95.2	Very high	51 Å²	51	47.9 Å²	47.9	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.3	177.7	-58.7	0	0	0	0	108.5	L254 T255 F256 V320	L254-T344 PolarHBondContact O-N 2.78Å; T255-T344 WeakPolarHBondContact CA-O 3.33Å; F256-T344 PolarHBondContact N-O 2.87Å; V320-T344 HydrophobicContact CG1-CG2 3.52Å
345	I	97.4	Very high	95.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	112.5	178.2	-57.4	167.1	0	0	0	107.8	F256 V258 V268 F297 I306 N321 V323	F256-I345 HydrophobicContact CB-CG1 4.42Å; F256-I345 HydrophobicContact CD2-CG1 4.48Å; F256-I345 WeakPolarHBondContact O-CA 3.33Å; V258-I345 HydrophobicContact CG1-CG2 3.99Å; V268-I345 HydrophobicContact CG1-CD1 4.13Å; V268-I345 HydrophobicContact CG1-CG1 4.09Å; V268-I345 HydrophobicContact CG1-CG2 3.7Å; F297-I345 HydrophobicContact CD1-CD1 3.88Å; F297-I345 HydrophobicContact CD2-CD1 3.89Å; F297-I345 HydrophobicContact CE1-CD1 3.78Å; F297-I345 HydrophobicContact CE1-CG2 4.04Å; F297-I345 HydrophobicContact CE2-CD1 3.8Å; F297-I345 HydrophobicContact CG-CD1 3.93Å; F297-I345 HydrophobicContact CZ-CB 4.27Å; F297-I345 HydrophobicContact CZ-CD1 3.75Å; F297-I345 HydrophobicContact CZ-CG2 3.84Å; I306-I345 HydrophobicContact CG2-CD1 4.14Å; N321-I345 HydrophobicContact CB-CB 4.36Å; N321-I345 PolarHBondContact N-O 3.35Å; N321-I345 PolarHBondContact O-N 3.44Å; V323-I345 HydrophobicContact CG1-CD1 4.25Å; V323-I345 HydrophobicContact CG2-CD1 3.78Å; V323-I345 HydrophobicContact CG2-CG1 4.41Å
346	T	97.4	Very high	95.4	Very high	53 Å²	53	35.4 Å²	35.4	33%	0.325	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.4	174.6	-56.9	0	0	0	0	109.7	F256 S257 V258 V319 V320	F256-T346 PolarHBondContact O-N 3.36Å; S257-T346 WeakPolarHBondContact CA-O 3.34Å; V258-T346 PolarHBondContact N-O 2.79Å; V258-T346 VanDerWaalsContact N-O 3.14Å; V319-T346 HydrophobicContact CG1-CG2 4.44Å; V320-T346 HydrophobicContact CG2-CG2 4.46Å
347	L	96.9	Very high	95.5	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	135.7	171.3	-60.2	-172.6	0	0	0	109.9	V258 E260 L313 R315 Q318 V319	V258-L347 HydrophobicContact CG1-CD2 3.83Å; V258-L347 CarbonylContact O-C 3.06Å; V258-L347 WeakPolarHBondContact O-CA 3.17Å; E260-L347 HydrophobicContact CB-CB 4.46Å; E260-L347 HydrophobicContact CB-CD1 4.37Å; L313-L347 HydrophobicContact CB-CD1 4.04Å; L313-L347 HydrophobicContact CB-CD2 4.1Å; L313-L347 HydrophobicContact CD1-CD2 4.16Å; L313-L347 HydrophobicContact CD2-CD1 4.39Å; L313-L347 HydrophobicContact CD2-CD2 4.25Å; L313-L347 HydrophobicContact CG-CD2 4.4Å; R315-L347 HydrophobicContact CB-CB 4.03Å; R315-L347 HydrophobicContact CB-CD1 4.44Å; R315-L347 HydrophobicContact CG-CB 4.13Å; Q318-L347 WeakPolarHBondContact O-CD1 3.21Å; V319-L347 PolarHBondContact O-N 2.94Å
348	L	95.8	Very high	95.4	Very high	75 Å²	75	40.5 Å²	40.5	39%	0.393	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.2	174.5	-60.1	176.9	0	0	0	109.4	V258 L259 E260	V258-L348 PolarHBondContact O-N 2.94Å; L259-L348 HydrophobicContact CD2-CB 3.95Å; E260-L348 PolarHBondContact N-O 3.16Å; E260-L348 VanDerWaalsContact N-O 3.12Å
349	D	95.4	Very high	95.2	Very high	19 Å²	19	41 Å²	41	10%	0.102	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-61.1	136.1	-174.3	-164	84.8	0	0	0	113.3	E260 R315 E385 N390	E260-D349 WeakPolarHBondContact OE1-CA 3.17Å; R315-D349 VanDerWaalsContact CD-OD1 3.27Å; R315-D349 WeakPolarHBondContact CD-OD1 3.34Å; R315-D349 IonicContact CZ-OD1 2.8Å; R315-D349 IonicContact NE-OD1 2.69Å; R315-D349 PolarHBondContact NE-OD1 2.79Å; R315-D349 IonicContact NH1-OD1 2.84Å; R315-D349 PolarHBondContact NH1-OD1 2.96Å; R315-D349 IonicContact NH2-OD1 3.07Å; D349-E385 HydrophobicContact CB-CB 3.98Å; D349-E385 VanDerWaalsContact CG-CB 3.48Å; D349-E385 VanDerWaalsContact OD1-CB 3.26Å; D349-E385 WeakPolarHBondContact OD1-CB 3.48Å; D349-E385 PolarHBondContact OD1-N 2.9Å; D349-E385 PolarHBondContact OD2-N 2.95Å; D349-N390 WeakPolarHBondContact OD2-CB 3.23Å; D349-N390 PolarHBondContact OD2-ND2 2.92Å
350	I	93.7	Very high	95	Very high	23 Å²	23	44.1 Å²	44.1	12%	0.118	24%	0.24	C	C	.	.			trans	-125	149.3	165	70.6	-177.5	0	0	0	109.6	L259 E260 Q261 D352 V446	L259-I350 HydrophobicContact CB-CG2 4.43Å; L259-I350 HydrophobicContact CD2-CG2 3.83Å; E260-I350 HydrophobicContact CG-CB 4.46Å; E260-I350 HydrophobicContact CG-CD1 3.87Å; E260-I350 HydrophobicContact CG-CG1 3.67Å; E260-I350 HydrophobicContact CG-CG2 4.32Å; E260-I350 PolarHBondContact OE1-N 3.25Å; E260-I350 VanDerWaalsContact OE1-N 3.17Å; Q261-I350 HydrophobicContact CB-CD1 3.96Å; Q261-I350 HydrophobicContact CG-CD1 4.16Å; I350-D352 HydrophobicContact CG1-CB 4.29Å; I350-D352 PolarHBondContact O-N 3.48Å; I350-V446 HydrophobicContact CD1-CG1 4.27Å
351	N	93.8	Very high	94.9	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.011	23%	0.234	C	C	.	.	S	Bend	trans	-70.4	101	172.5	-178.4	-40.2	0	0	0	110.5	D384 N390 N441 A443 L445 V446	N351-D384 VanDerWaalsContact CA-OD2 3.25Å; N351-D384 WeakPolarHBondContact CA-OD2 3.32Å; N351-N390 HydrophobicContact CB-CB 3.9Å; N351-N390 PolarHBondContact N-ND2 2.87Å; N351-N441 WeakPolarHBondContact ND2-CB 3.47Å; N351-N441 PolarHBondContact ND2-OD1 3.41Å; N351-A443 HydrophobicContact CB-CB 4.26Å; N351-A443 PolarHBondContact ND2-O 2.9Å; N351-L445 WeakPolarHBondContact OD1-CD2 3.32Å; N351-V446 WeakPolarHBondContact O-CA 3.31Å; N351-V446 VanDerWaalsContact O-CB 3.29Å; N351-V446 WeakPolarHBondContact O-CB 3.49Å; N351-V446 PolarHBondContact O-N 2.76Å
352	D	91.8	Very high	94.9	Very high	11 Å²	11	42.6 Å²	42.6	6%	0.059	23%	0.228	C	C	.	.			trans	-128.3	-14.8	172.7	116	-61.8	0	0	0	113.7	Q261 I350 P354	Q261-D352 PolarHBondContact NE2-OD2 2.88Å; I350-D352 HydrophobicContact CG1-CB 4.29Å; I350-D352 PolarHBondContact O-N 3.48Å; D352-P354 WeakPolarHBondContact O-CD 3.47Å
353	N	91.3	Very high	94.8	Very high	16 Å²	16	46.2 Å²	46.2	9%	0.086	24%	0.237	C	C	.	.	S	Bend	trans	-104.7	97.6	175.5	-57.8	-92.9	0	0	0	111.3	K383 D384	N353-K383 HydrophobicContact CB-CB 4Å; N353-K383 HydrophobicContact CB-CG 4.35Å; N353-K383 PolarHBondContact OD1-NZ 2.86Å; N353-D384 VanDerWaalsContact CB-OD1 3.24Å; N353-D384 WeakPolarHBondContact CB-OD1 3.36Å; N353-D384 PolarHBondContact N-OD1 3.19Å; N353-D384 PolarHBondContact ND2-OD1 2.81Å
354	P	92.1	Very high	94.7	Very high	23 Å²	23	46.7 Å²	46.7	15%	0.149	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-65.3	153.5	177	26.5	-33.8	0	0	0	112.4	D352 T356 L445 W452	D352-P354 WeakPolarHBondContact O-CD 3.47Å; P354-T356 WeakPolarHBondContact O-CG2 3.29Å; P354-T356 PolarHBondContact O-N 3.36Å; P354-L445 HydrophobicContact CB-CD1 4.19Å; P354-L445 HydrophobicContact CB-CD2 3.89Å; P354-L445 HydrophobicContact CG-CD2 4.15Å; P354-W452 HydrophobicContact CB-CZ3 4.48Å
355	P	94	Very high	94.5	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-60	121.8	-178.4	-22.2	31	0	0	0	111.5	V380 D382 A393 A439 N441	P355-V380 HydrophobicContact CB-CB 4.07Å; P355-V380 HydrophobicContact CB-CG1 4.35Å; P355-V380 HydrophobicContact CB-CG2 4.17Å; P355-D382 WeakPolarHBondContact CD-OD2 3.48Å; P355-D382 WeakPolarHBondContact CG-OD2 3.39Å; P355-A393 HydrophobicContact CG-CB 4.37Å; P355-A439 HydrophobicContact CB-CB 3.94Å; P355-A439 HydrophobicContact CG-CB 4.43Å; P355-N441 VanDerWaalsContact CD-ND2 3.33Å; P355-N441 WeakPolarHBondContact CD-ND2 3.26Å; P355-N441 WeakPolarHBondContact CD-OD1 3.27Å; P355-N441 VanDerWaalsContact CG-ND2 3.25Å; P355-N441 WeakPolarHBondContact CG-ND2 3.31Å
356	T	93.2	Very high	94.4	Very high	66 Å²	66	49.4 Å²	49.4	41%	0.405	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.4	-178.3	64.5	0	0	0	0	111.4	P354 V380 D381 L453	P354-T356 WeakPolarHBondContact O-CG2 3.29Å; P354-T356 PolarHBondContact O-N 3.36Å; T356-V380 CarbonylContact O-C 3.52Å; T356-V380 WeakPolarHBondContact O-CA 3.47Å; T356-D381 PolarHBondContact N-O 3.22Å; T356-D381 PolarHBondContact O-N 2.81Å; T356-D381 PolarHBondContact OG1-O 3.46Å; T356-L453 HydrophobicContact CG2-CD1 4.22Å
357	F	95	Very high	94.1	Very high	27 Å²	27	51.3 Å²	51.3	12%	0.118	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.6	176.4	-62.9	-86.9	0	0	0	111	E359 Y362 I378 V380 F395 A439 L453 I455	F357-E359 VanDerWaalsContact C-N 3.29Å; F357-E359 PolarHBondContact O-N 2.69Å; F357-Y362 HydrophobicContact CB-CE2 4.35Å; F357-Y362 HydrophobicContact CD1-CE2 4.36Å; F357-I378 HydrophobicContact CD1-CG2 3.71Å; F357-I378 HydrophobicContact CE1-CG2 3.78Å; F357-V380 HydrophobicContact CD1-CG1 3.69Å; F357-V380 HydrophobicContact CE1-CG1 3.85Å; F357-V380 HydrophobicContact CG-CG1 4.23Å; F357-V380 HydrophobicContact CZ-CG1 4.49Å; F357-F395 HydrophobicContact CE1-CD1 4.5Å; F357-F395 AromaticContact CE1-CE1 3.92Å; F357-F395 HydrophobicContact CE1-CE1 3.92Å; F357-F395 HydrophobicContact CZ-CE1 4.49Å; F357-A439 HydrophobicContact CE1-CB 4.05Å; F357-A439 HydrophobicContact CE2-CB 3.88Å; F357-A439 HydrophobicContact CZ-CB 3.4Å; F357-A439 VanDerWaalsContact CZ-CB 3.4Å; F357-L453 HydrophobicContact CD2-CB 4.09Å; F357-L453 HydrophobicContact CE2-CB 3.91Å; F357-I455 HydrophobicContact CB-CG2 3.93Å; F357-I455 HydrophobicContact CD1-CD1 3.41Å; F357-I455 VanDerWaalsContact CD1-CD1 3.41Å; F357-I455 HydrophobicContact CD1-CG1 3.85Å; F357-I455 HydrophobicContact CD1-CG2 4.18Å; F357-I455 HydrophobicContact CD2-CG1 4.26Å; F357-I455 HydrophobicContact CD2-CG2 3.54Å; F357-I455 HydrophobicContact CE1-CD1 3.41Å; F357-I455 VanDerWaalsContact CE1-CD1 3.41Å; F357-I455 HydrophobicContact CE1-CG1 3.59Å; F357-I455 HydrophobicContact CE2-CG1 4.05Å; F357-I455 HydrophobicContact CE2-CG2 4.02Å; F357-I455 HydrophobicContact CG-CD1 4.04Å; F357-I455 HydrophobicContact CG-CG1 4.15Å; F357-I455 HydrophobicContact CG-CG2 3.62Å; F357-I455 HydrophobicContact CZ-CD1 4.06Å; F357-I455 HydrophobicContact CZ-CG1 3.69Å; F357-I455 HydrophobicContact CZ-CG2 4.49Å
358	R	94.3	Very high	93.9	Very high	149 Å²	149	51.4 Å²	51.4	56%	0.562	26%	0.261	S	S	*	.	S	Bend	trans	-67.3	-27.5	178	-69.1	-174.6	-177.8	147.8	6.9	113.7	Y362 P379 D381	R358-Y362 PolarHBondContact N-OH 3.36Å; R358-P379 HydrophobicContact CB-CG 4.45Å; R358-P379 HydrophobicContact CG-CB 4.5Å; R358-P379 HydrophobicContact CG-CG 4.45Å; R358-P379 PolarHBondContact N-O 3.14Å; R358-D381 WeakPolarHBondContact CD-OD2 3.47Å; R358-D381 WeakPolarHBondContact CG-OD2 3.34Å; R358-D381 IonicContact CZ-OD1 2.71Å; R358-D381 IonicContact CZ-OD2 2.56Å; R358-D381 VanDerWaalsContact NE-CG 3.35Å; R358-D381 IonicContact NE-OD1 3.33Å; R358-D381 PolarHBondContact NE-OD1 2.68Å; R358-D381 IonicContact NE-OD2 2.8Å; R358-D381 PolarHBondContact NE-OD2 2.75Å; R358-D381 IonicContact NH2-OD1 3.78Å; R358-D381 PolarHBondContact NH2-OD1 2.79Å; R358-D381 IonicContact NH2-OD2 3.51Å
359	E	94.5	Very high	93.6	Very high	114 Å²	114	52.4 Å²	52.4	53%	0.533	27%	0.267	S	S	.	.	S	Bend	trans	-123.9	149.6	177.7	-58.1	-175.9	-150.2	0	0	111.5	F357 T361 Y362	F357-E359 VanDerWaalsContact C-N 3.29Å; F357-E359 PolarHBondContact O-N 2.69Å; E359-T361 VanDerWaalsContact C-N 3.3Å; E359-T361 PolarHBondContact O-N 3.16Å; E359-Y362 HydrophobicContact CB-CD2 4.3Å; E359-Y362 HydrophobicContact CB-CE1 4.04Å; E359-Y362 HydrophobicContact CB-CE2 3.8Å; E359-Y362 HydrophobicContact CG-CE1 4.13Å; E359-Y362 PolarHBondContact N-OH 3.11Å; E359-Y362 VanDerWaalsContact N-OH 3.11Å; E359-Y362 WeakPolarHBondContact O-CE2 3.28Å
360	T	93.2	Very high	93.3	Very high	130 Å²	130	54.2 Å²	54.2	80%	0.798	28%	0.275	S	S	*	.	S	Bend	trans	-78.9	-12.7	-179.4	53.3	0	0	0	0	113.8	P456	T360-P456 WeakPolarHBondContact O-CD 3.34Å
361	T	95.3	Very high	93.2	Very high	46 Å²	46	55.4 Å²	55.4	28%	0.282	29%	0.288	S	S	.	.	S	Bend	trans	-161.1	142.9	171.6	-178.7	0	0	0	0	108.3	E359 P456	E359-T361 VanDerWaalsContact C-N 3.3Å; E359-T361 PolarHBondContact O-N 3.16Å; T361-P456 VanDerWaalsContact CA-O 3.3Å; T361-P456 WeakPolarHBondContact CA-O 3.37Å; T361-P456 WeakPolarHBondContact CB-O 3.24Å; T361-P456 PolarHBondContact OG1-O 3.4Å
362	Y	96.1	Very high	93	Very high	10 Å²	10	61.4 Å²	61.4	4%	0.039	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	157.6	175	-66.2	-103.5	0	0	0	110.4	F357 R358 E359 L376 I378 P379 I455 P456 V457 D458	F357-Y362 HydrophobicContact CB-CE2 4.35Å; F357-Y362 HydrophobicContact CD1-CE2 4.36Å; R358-Y362 PolarHBondContact N-OH 3.36Å; E359-Y362 HydrophobicContact CB-CD2 4.3Å; E359-Y362 HydrophobicContact CB-CE1 4.04Å; E359-Y362 HydrophobicContact CB-CE2 3.8Å; E359-Y362 HydrophobicContact CG-CE1 4.13Å; E359-Y362 PolarHBondContact N-OH 3.11Å; E359-Y362 VanDerWaalsContact N-OH 3.11Å; E359-Y362 WeakPolarHBondContact O-CE2 3.28Å; Y362-L376 HydrophobicContact CG-CD2 4.33Å; Y362-I378 HydrophobicContact CD2-CG2 4.35Å; Y362-I378 HydrophobicContact CE2-CG2 4.02Å; Y362-P379 HydrophobicContact CE1-CG 4.42Å; Y362-P379 PolarHBondContact OH-O 3.23Å; Y362-I455 HydrophobicContact CD2-CD1 3.45Å; Y362-I455 VanDerWaalsContact CD2-CD1 3.45Å; Y362-I455 HydrophobicContact CE2-CD1 3.66Å; Y362-P456 PolarHBondContact N-O 3.48Å; Y362-V457 WeakPolarHBondContact O-CA 3.46Å; Y362-D458 PolarHBondContact O-N 3Å
363	K	95.8	Very high	93.1	Very high	150 Å²	150	65 Å²	65	65%	0.652	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.9	178.7	-59.7	-167.4	173.9	-179.6	0	110.4	D458	K363-D458 WeakPolarHBondContact CA-O 3.49Å; K363-D458 HydrophobicContact CG-CB 4.29Å
364	A	94.6	Very high	93.2	Very high	9 Å²	9	67.4 Å²	67.4	7%	0.074	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	156.6	176.2	0	0	0	0	0	111.2	V375 L376 D458 V459 S460	A364-V375 HydrophobicContact CB-CG1 3.5Å; A364-V375 VanDerWaalsContact CB-CG1 3.5Å; A364-L376 HydrophobicContact CB-CB 4.18Å; A364-D458 PolarHBondContact N-O 2.78Å; A364-D458 VanDerWaalsContact N-O 3.09Å; A364-V459 WeakPolarHBondContact O-CA 3.49Å; A364-S460 PolarHBondContact O-N 3.3Å; A364-S460 PolarHBondContact O-OG 3.39Å
365	T	93.8	Very high	93.3	Very high	104 Å²	104	67.5 Å²	67.5	64%	0.638	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.2	173.1	-52.9	0	0	0	0	108.6	S460	T365-S460 WeakPolarHBondContact CA-O 3.35Å; T365-S460 PolarHBondContact OG1-OG 3.2Å; T365-S460 VanDerWaalsContact OG1-OG 3.11Å
366	V	94.3	Very high	93.4	Very high	5 Å²	5	68.8 Å²	68.8	3%	0.03	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.5	175.1	62.7	0	0	0	0	107.7	Q370 V375 V421 L425 V459 S460 V461 G462	V366-Q370 HydrophobicContact CG2-CB 4.4Å; V366-V375 HydrophobicContact CB-CG1 4.28Å; V366-V375 HydrophobicContact CB-CG2 3.85Å; V366-V375 HydrophobicContact CG2-CG2 3.72Å; V366-V421 HydrophobicContact CG1-CG2 4.41Å; V366-V421 HydrophobicContact CG2-CG2 4.34Å; V366-L425 HydrophobicContact CG1-CD1 3.64Å; V366-V459 HydrophobicContact CG1-CG1 3.77Å; V366-S460 PolarHBondContact N-O 2.84Å; V366-S460 VanDerWaalsContact N-O 3.16Å; V366-V461 CarbonylContact O-C 3.51Å; V366-V461 WeakPolarHBondContact O-CA 3.42Å; V366-G462 PolarHBondContact O-N 3.15Å
367	K	92.1	Very high	93.6	Very high	92 Å²	92	70.7 Å²	70.7	40%	0.4	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	150.1	174.5	-66.4	179.5	165.3	-153.3	0	109.3	Q370 E464	K367-Q370 HydrophobicContact CB-CG 4.06Å; K367-E464 HydrophobicContact CB-CG 4.02Å; K367-E464 HydrophobicContact CD-CG 3.83Å; K367-E464 WeakPolarHBondContact CE-OE1 3.24Å; K367-E464 HydrophobicContact CG-CG 4.06Å; K367-E464 IonicContact NZ-OE1 2.69Å; K367-E464 PolarHBondContact NZ-OE1 2.63Å; K367-E464 IonicContact NZ-OE2 2.82Å; K367-E464 PolarHBondContact NZ-OE2 3.11Å
368	E	91.9	Very high	93.7	Very high	7 Å²	7	69.4 Å²	69.4	3%	0.033	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	168.1	170.9	70.1	-166.9	127.5	0	0	112.4	Q370 L425 Y427 V461 G462 D463 E464	E368-Q370 PolarHBondContact O-N 2.83Å; E368-L425 WeakPolarHBondContact CB-O 3.43Å; E368-Y427 VanDerWaalsContact CD-CB 3.47Å; E368-Y427 WeakPolarHBondContact OE1-CB 3.36Å; E368-Y427 WeakPolarHBondContact OE2-CB 3.33Å; E368-Y427 PolarHBondContact OE2-N 3.11Å; E368-V461 HydrophobicContact CB-CG1 3.81Å; E368-G462 PolarHBondContact N-O 3.31Å; E368-D463 WeakPolarHBondContact OE1-CA 3.19Å; E368-E464 HydrophobicContact CG-CB 4.23Å; E368-E464 PolarHBondContact OE1-N 3.1Å
369	N	88.8	Confident	93.7	Very high	97 Å²	97	63.3 Å²	63.3	52%	0.519	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	-0.6	-175.1	-72.4	-57.3	0	0	0	116.5	L425 E466	N369-L425 PolarHBondContact N-O 3.1Å; N369-E466 PolarHBondContact ND2-OE1 3Å
370	Q	89.4	Confident	93.8	Very high	56 Å²	56	58.3 Å²	58.3	26%	0.262	31%	0.308	S	S	.	.			trans	-82.5	141	174.8	-63.9	-170.1	-31.3	0	0	112.4	V366 K367 E368 V421 P424	V366-Q370 HydrophobicContact CG2-CB 4.4Å; K367-Q370 HydrophobicContact CB-CG 4.06Å; E368-Q370 PolarHBondContact O-N 2.83Å; Q370-V421 WeakPolarHBondContact O-CG1 3.47Å; Q370-P424 WeakPolarHBondContact O-CA 3.05Å
371	A	91.2	Very high	93.8	Very high	48 Å²	48	55.5 Å²	55.5	40%	0.397	29%	0.288	S	S	.	.			trans	-140.6	162.2	176	0	0	0	0	0	111.1	M373 V421	A371-M373 PolarHBondContact O-N 2.94Å; A371-V421 CarbonylContact C-O 3.42Å
372	D	91	Very high	93.7	Very high	129 Å²	129	54.2 Å²	54.2	69%	0.69	28%	0.28	S	S	*	.	S	Bend	trans	50.5	32.5	-177.4	-60.7	-43.3	0	0	0	115	V421	D372-V421 VanDerWaalsContact CA-O 3.3Å; D372-V421 WeakPolarHBondContact CA-O 3.38Å; D372-V421 PolarHBondContact N-O 2.04Å
373	M	92.4	Very high	93.6	Very high	85 Å²	85	60.1 Å²	60.1	42%	0.419	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.7	-179.4	-171.2	176.8	-65.6	0	0	112	A371 V375 Y420 V421	A371-M373 PolarHBondContact O-N 2.94Å; M373-V375 PolarHBondContact O-N 3.23Å; M373-Y420 VanDerWaalsContact O-CA 3.32Å; M373-Y420 WeakPolarHBondContact O-CA 3.28Å; M373-V421 PolarHBondContact N-O 3.27Å; M373-V421 PolarHBondContact O-N 3.5Å
374	L	94.9	Very high	93.5	Very high	67 Å²	67	53.1 Å²	53.1	35%	0.351	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119.7	167.8	-179.4	70.1	0	0	0	109.5	R377 L418 Y420	L374-R377 HydrophobicContact CD2-CG 4.25Å; L374-L418 HydrophobicContact CD1-CB 3.85Å; L374-L418 HydrophobicContact CD1-CD2 4.25Å; L374-Y420 HydrophobicContact CB-CD1 4.06Å; L374-Y420 HydrophobicContact CB-CE1 3.75Å; L374-Y420 HydrophobicContact CD1-CD1 4.42Å; L374-Y420 HydrophobicContact CD1-CD2 4.46Å; L374-Y420 HydrophobicContact CD1-CE1 4.07Å; L374-Y420 HydrophobicContact CD1-CE2 4.12Å
375	V	94.6	Very high	93.5	Very high	25 Å²	25	57.5 Å²	57.5	15%	0.152	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-33	-177	169.1	0	0	0	0	112.3	A364 V366 M373 L419 V421	A364-V375 HydrophobicContact CB-CG1 3.5Å; A364-V375 VanDerWaalsContact CB-CG1 3.5Å; V366-V375 HydrophobicContact CB-CG1 4.28Å; V366-V375 HydrophobicContact CB-CG2 3.85Å; V366-V375 HydrophobicContact CG2-CG2 3.72Å; M373-V375 PolarHBondContact O-N 3.23Å; V375-L419 PolarHBondContact N-O 3.47Å; V375-V421 HydrophobicContact CG2-CB 4.11Å; V375-V421 HydrophobicContact CG2-CG2 3.65Å
376	L	96	Very high	93.5	Very high	28 Å²	28	58.8 Å²	58.8	15%	0.147	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	143.1	-177.8	-178	65.1	0	0	0	111.8	Y362 A364 I378 L419 V457	Y362-L376 HydrophobicContact CG-CD2 4.33Å; A364-L376 HydrophobicContact CB-CB 4.18Å; L376-I378 HydrophobicContact CD2-CD1 4Å; L376-I378 HydrophobicContact CD2-CG1 3.65Å; L376-I378 HydrophobicContact CG-CG1 3.85Å; L376-L419 HydrophobicContact CB-CB 4.19Å; L376-L419 HydrophobicContact CB-CD2 4.27Å; L376-L419 PolarHBondContact N-O 2.8Å; L376-L419 PolarHBondContact O-N 2.95Å; L376-V457 HydrophobicContact CD2-CG1 3.78Å
377	R	96.4	Very high	93.4	Very high	106 Å²	106	65.4 Å²	65.4	40%	0.4	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.8	160.6	-72.2	-173.5	161.8	-103.8	-8.8	108.9	L374 P379 D411 E416 G417 L418	L374-R377 HydrophobicContact CD2-CG 4.25Å; R377-P379 WeakPolarHBondContact O-CD 3.45Å; R377-D411 IonicContact CZ-OD2 3.51Å; R377-D411 VanDerWaalsContact CZ-OD2 3.24Å; R377-D411 IonicContact NH1-OD2 3.4Å; R377-D411 PolarHBondContact NH1-OD2 3.44Å; R377-D411 IonicContact NH2-OD2 2.69Å; R377-D411 PolarHBondContact NH2-OD2 2.94Å; R377-E416 WeakPolarHBondContact CD-OE2 3.46Å; R377-E416 IonicContact CZ-OE2 3.64Å; R377-E416 IonicContact NE-OE2 2.75Å; R377-E416 IonicContact NH1-OE2 2.67Å; R377-E416 PolarHBondContact NH1-OE2 2.84Å; R377-G417 CarbonylContact C-O 3.56Å; R377-G417 WeakPolarHBondContact CA-O 3.43Å; R377-L418 HydrophobicContact CG-CD2 3.79Å
378	I	96.6	Very high	93.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	97.5	-177.6	-57	178.9	0	0	0	108.4	F357 Y362 L376 F395 I408 G417 I437 I455 V457	F357-I378 HydrophobicContact CD1-CG2 3.71Å; F357-I378 HydrophobicContact CE1-CG2 3.78Å; Y362-I378 HydrophobicContact CD2-CG2 4.35Å; Y362-I378 HydrophobicContact CE2-CG2 4.02Å; L376-I378 HydrophobicContact CD2-CD1 4Å; L376-I378 HydrophobicContact CD2-CG1 3.65Å; L376-I378 HydrophobicContact CG-CG1 3.85Å; I378-F395 HydrophobicContact CG2-CE1 4.31Å; I378-I408 HydrophobicContact CD1-CD1 4.04Å; I378-G417 PolarHBondContact N-O 2.85Å; I378-G417 PolarHBondContact O-N 3.29Å; I378-I437 HydrophobicContact CD1-CD1 3.75Å; I378-I455 HydrophobicContact CG2-CD1 3.95Å; I378-V457 HydrophobicContact CD1-CG2 4.19Å
379	P	95.6	Very high	93.6	Very high	21 Å²	21	65.4 Å²	65.4	14%	0.136	33%	0.331	C	S	.	.			trans	-73.8	133.5	178.5	28.7	-34.4	0	0	0	112.1	R358 Y362 R377 E416	R358-P379 HydrophobicContact CB-CG 4.45Å; R358-P379 HydrophobicContact CG-CB 4.5Å; R358-P379 HydrophobicContact CG-CG 4.45Å; R358-P379 PolarHBondContact N-O 3.14Å; Y362-P379 HydrophobicContact CE1-CG 4.42Å; Y362-P379 PolarHBondContact OH-O 3.23Å; R377-P379 WeakPolarHBondContact O-CD 3.45Å; P379-E416 HydrophobicContact CB-CG 4.33Å
380	V	94.8	Very high	93.9	Very high	9 Å²	9	62.2 Å²	62.2	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	146.9	167.7	-66.4	0	0	0	0	109.7	P355 T356 F357 A393 F395 N415 A439	P355-V380 HydrophobicContact CB-CB 4.07Å; P355-V380 HydrophobicContact CB-CG1 4.35Å; P355-V380 HydrophobicContact CB-CG2 4.17Å; T356-V380 CarbonylContact O-C 3.52Å; T356-V380 WeakPolarHBondContact O-CA 3.47Å; F357-V380 HydrophobicContact CD1-CG1 3.69Å; F357-V380 HydrophobicContact CE1-CG1 3.85Å; F357-V380 HydrophobicContact CG-CG1 4.23Å; F357-V380 HydrophobicContact CZ-CG1 4.49Å; V380-A393 HydrophobicContact CG2-CB 4.12Å; V380-F395 HydrophobicContact CB-CZ 4.43Å; V380-F395 HydrophobicContact CG1-CE1 3.84Å; V380-F395 HydrophobicContact CG1-CZ 3.7Å; V380-F395 HydrophobicContact CG2-CZ 3.83Å; V380-N415 WeakPolarHBondContact CG2-O 3.45Å; V380-A439 HydrophobicContact CG1-CB 4.12Å
381	D	93.5	Very high	94.1	Very high	71 Å²	71	61.1 Å²	61.1	38%	0.38	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.1	168.6	-67.4	-55.5	0	0	0	108.5	T356 R358	T356-D381 PolarHBondContact N-O 3.22Å; T356-D381 PolarHBondContact O-N 2.81Å; T356-D381 PolarHBondContact OG1-O 3.46Å; R358-D381 WeakPolarHBondContact CD-OD2 3.47Å; R358-D381 WeakPolarHBondContact CG-OD2 3.34Å; R358-D381 IonicContact CZ-OD1 2.71Å; R358-D381 IonicContact CZ-OD2 2.56Å; R358-D381 VanDerWaalsContact NE-CG 3.35Å; R358-D381 IonicContact NE-OD1 3.33Å; R358-D381 PolarHBondContact NE-OD1 2.68Å; R358-D381 IonicContact NE-OD2 2.8Å; R358-D381 PolarHBondContact NE-OD2 2.75Å; R358-D381 IonicContact NH2-OD1 3.78Å; R358-D381 PolarHBondContact NH2-OD1 2.79Å; R358-D381 IonicContact NH2-OD2 3.51Å
382	D	93.9	Very high	94.3	Very high	19 Å²	19	60.7 Å²	60.7	10%	0.102	30%	0.299	C	S	.	.			trans	-123.6	147.6	174.8	-166.6	-54	0	0	0	107.3	P355 D384 W391 N441	P355-D382 WeakPolarHBondContact CD-OD2 3.48Å; P355-D382 WeakPolarHBondContact CG-OD2 3.39Å; D382-D384 PolarHBondContact OD1-N 2.86Å; D382-W391 HydrophobicContact CB-CG 4.39Å; D382-W391 PolarHBondContact O-NE1 2.81Å; D382-N441 PolarHBondContact OD2-ND2 2.91Å
383	K	93.6	Very high	94.5	Very high	135 Å²	135	54.9 Å²	54.9	59%	0.587	27%	0.268	S	S	*	.			trans	-106.8	-17.7	-173.5	-56.1	-166.2	-146.4	125.3	0	114.2	R315 E316 N353	R315-K383 PolarHBondContact NH2-O 2.8Å; E316-K383 HydrophobicContact CG-CB 3.8Å; E316-K383 HydrophobicContact CG-CD 4.35Å; N353-K383 HydrophobicContact CB-CB 4Å; N353-K383 HydrophobicContact CB-CG 4.35Å; N353-K383 PolarHBondContact OD1-NZ 2.86Å
384	D	94.8	Very high	94.6	Very high	3 Å²	3	57 Å²	57	2%	0.016	27%	0.272	C	S	.	.	S	Bend	trans	-63.3	172.4	-177.7	-59.8	-9.6	0	0	0	109.9	N351 N353 D382 E386 N390 W391	N351-D384 VanDerWaalsContact CA-OD2 3.25Å; N351-D384 WeakPolarHBondContact CA-OD2 3.32Å; N353-D384 VanDerWaalsContact CB-OD1 3.24Å; N353-D384 WeakPolarHBondContact CB-OD1 3.36Å; N353-D384 PolarHBondContact N-OD1 3.19Å; N353-D384 PolarHBondContact ND2-OD1 2.81Å; D382-D384 PolarHBondContact OD1-N 2.86Å; D384-E386 PolarHBondContact O-N 2.86Å; D384-E386 VanDerWaalsContact O-N 3.09Å; D384-N390 HydrophobicContact CB-CB 3.88Å; D384-W391 HydrophobicContact CB-CB 4.41Å; D384-W391 VanDerWaalsContact O-CD1 3.31Å
385	E	94.8	Very high	94.6	Very high	101 Å²	101	54.5 Å²	54.5	47%	0.472	26%	0.258	S	S	.	.	S	Bend	trans	-59.9	117.1	-172.7	-173	169.4	-146.6	0	0	112.5	R315 D349 K387 T388 W391	R315-E385 VanDerWaalsContact NH1-CA 3.32Å; D349-E385 HydrophobicContact CB-CB 3.98Å; D349-E385 VanDerWaalsContact CG-CB 3.48Å; D349-E385 VanDerWaalsContact OD1-CB 3.26Å; D349-E385 WeakPolarHBondContact OD1-CB 3.48Å; D349-E385 PolarHBondContact OD1-N 2.9Å; D349-E385 PolarHBondContact OD2-N 2.95Å; E385-K387 PolarHBondContact O-N 3.09Å; E385-T388 HydrophobicContact CB-CG2 3.71Å; E385-T388 HydrophobicContact CG-CG2 3.81Å; E385-T388 WeakPolarHBondContact O-CB 3.29Å; E385-T388 VanDerWaalsContact O-CG2 3.3Å; E385-T388 WeakPolarHBondContact O-CG2 3.46Å; E385-T388 PolarHBondContact O-N 2.87Å; E385-T388 VanDerWaalsContact O-N 3.08Å; E385-T388 PolarHBondContact O-OG1 2.95Å; E385-W391 WeakPolarHBondContact O-CB 3.39Å
386	E	93.7	Very high	94.6	Very high	131 Å²	131	55.3 Å²	55.3	61%	0.612	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.3	132.9	-177	-73.8	-174.1	-162.4	0	0	112.2	D384 T388 W391	D384-E386 PolarHBondContact O-N 2.86Å; D384-E386 VanDerWaalsContact O-N 3.09Å; E386-T388 PolarHBondContact O-N 3Å; E386-W391 HydrophobicContact CG-CZ2 4.33Å
387	K	91.3	Very high	94.6	Very high	144 Å²	144	55.5 Å²	55.5	63%	0.626	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	12.2	176.9	-54.1	155.8	-172.9	156.4	0	114.8	E385 W391 N392	E385-K387 PolarHBondContact O-N 3.09Å; K387-W391 HydrophobicContact CG-CZ3 4.26Å; K387-N392 WeakPolarHBondContact CA-OD1 3.47Å
388	T	94.1	Very high	94.5	Very high	27 Å²	27	53.7 Å²	53.7	17%	0.166	26%	0.264	C	S	.	.	S	Bend	trans	-85.3	163	163.4	69	0	0	0	0	111.1	E385 E386 N390 W391 N392	E385-T388 HydrophobicContact CB-CG2 3.71Å; E385-T388 HydrophobicContact CG-CG2 3.81Å; E385-T388 WeakPolarHBondContact O-CB 3.29Å; E385-T388 VanDerWaalsContact O-CG2 3.3Å; E385-T388 WeakPolarHBondContact O-CG2 3.46Å; E385-T388 PolarHBondContact O-N 2.87Å; E385-T388 VanDerWaalsContact O-N 3.08Å; E385-T388 PolarHBondContact O-OG1 2.95Å; E386-T388 PolarHBondContact O-N 3Å; T388-N390 PolarHBondContact O-N 3.43Å; T388-N390 VanDerWaalsContact O-N 3.11Å; T388-N390 PolarHBondContact OG1-N 2.9Å; T388-W391 PolarHBondContact O-N 2.96Å; T388-W391 VanDerWaalsContact O-N 3.14Å; T388-W391 PolarHBondContact OG1-N 2.9Å; T388-N392 WeakPolarHBondContact O-CB 3.26Å; T388-N392 PolarHBondContact O-N 2.96Å; T388-N392 PolarHBondContact O-ND2 2.96Å; T388-N392 PolarHBondContact O-OD1 2.97Å
389	P	94.7	Very high	94.5	Very high	72 Å²	72	59.5 Å²	59.5	47%	0.468	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.4	170.5	-24.6	36.1	0	0	0	114.4	E442 A443	P389-E442 HydrophobicContact CB-CB 4.07Å; P389-E442 PolarHBondContact O-N 2.86Å; P389-A443 HydrophobicContact CB-CB 4.32Å; P389-A443 VanDerWaalsContact O-CB 3.31Å; P389-A443 WeakPolarHBondContact O-CB 3.38Å; P389-A443 PolarHBondContact O-N 3.35Å
390	N	93.9	Very high	94.3	Very high	29 Å²	29	59.3 Å²	59.3	16%	0.155	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-51	173.4	-61	-12	0	0	0	109	D349 N351 D384 T388 N441 A443	D349-N390 WeakPolarHBondContact OD2-CB 3.23Å; D349-N390 PolarHBondContact OD2-ND2 2.92Å; N351-N390 HydrophobicContact CB-CB 3.9Å; N351-N390 PolarHBondContact N-ND2 2.87Å; D384-N390 HydrophobicContact CB-CB 3.88Å; T388-N390 PolarHBondContact O-N 3.43Å; T388-N390 VanDerWaalsContact O-N 3.11Å; T388-N390 PolarHBondContact OG1-N 2.9Å; N390-N441 WeakPolarHBondContact O-CB 3.3Å; N390-N441 PolarHBondContact O-ND2 2.94Å; N390-A443 WeakPolarHBondContact OD1-CB 3.38Å
391	W	94.5	Very high	94.3	Very high	33 Å²	33	60.9 Å²	60.9	13%	0.125	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-31.2	177.8	-176.4	88.9	0	0	0	115.3	D382 D384 E385 E386 K387 T388 A393 N415	D382-W391 HydrophobicContact CB-CG 4.39Å; D382-W391 PolarHBondContact O-NE1 2.81Å; D384-W391 HydrophobicContact CB-CB 4.41Å; D384-W391 VanDerWaalsContact O-CD1 3.31Å; E385-W391 WeakPolarHBondContact O-CB 3.39Å; E386-W391 HydrophobicContact CG-CZ2 4.33Å; K387-W391 HydrophobicContact CG-CZ3 4.26Å; T388-W391 PolarHBondContact O-N 2.96Å; T388-W391 VanDerWaalsContact O-N 3.14Å; T388-W391 PolarHBondContact OG1-N 2.9Å; W391-A393 PolarHBondContact O-N 2.77Å; W391-N415 HydrophobicContact CE3-CB 4.49Å; W391-N415 HydrophobicContact CH2-CB 3.64Å; W391-N415 HydrophobicContact CZ2-CB 4.02Å; W391-N415 HydrophobicContact CZ3-CB 3.88Å; W391-N415 PolarHBondContact O-ND2 3.01Å
392	N	94.8	Very high	94.3	Very high	40 Å²	40	64.6 Å²	64.6	21%	0.214	32%	0.317	C	S	.	.			trans	-61.9	117.5	-174.4	-73.1	-10.8	0	0	0	112.1	K387 T388 N441 E442	K387-N392 WeakPolarHBondContact CA-OD1 3.47Å; T388-N392 WeakPolarHBondContact O-CB 3.26Å; T388-N392 PolarHBondContact O-N 2.96Å; T388-N392 PolarHBondContact O-ND2 2.96Å; T388-N392 PolarHBondContact O-OD1 2.97Å; N392-N441 CarbonylContact O-C 3.52Å; N392-N441 VanDerWaalsContact O-CA 3.24Å; N392-N441 WeakPolarHBondContact O-CA 3.45Å; N392-E442 HydrophobicContact CB-CG 3.87Å; N392-E442 WeakPolarHBondContact CB-OE2 3.49Å; N392-E442 PolarHBondContact ND2-OE2 2.92Å; N392-E442 PolarHBondContact O-N 2.8Å
393	A	94.6	Very high	94.1	Very high	6 Å²	6	69.6 Å²	69.6	5%	0.05	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	146.2	-178.5	0	0	0	0	0	112.8	P355 V380 W391 F395 T410 N415 Q440	P355-A393 HydrophobicContact CG-CB 4.37Å; V380-A393 HydrophobicContact CG2-CB 4.12Å; W391-A393 PolarHBondContact O-N 2.77Å; A393-F395 HydrophobicContact CB-CE2 3.88Å; A393-F395 HydrophobicContact CB-CZ 4.4Å; A393-T410 HydrophobicContact CB-CG2 4.47Å; A393-T410 WeakPolarHBondContact O-CB 3.32Å; A393-T410 VanDerWaalsContact O-CG2 3.28Å; A393-T410 WeakPolarHBondContact O-CG2 3.43Å; A393-T410 PolarHBondContact O-OG1 2.69Å; A393-N415 VanDerWaalsContact CB-OD1 3.28Å; A393-N415 WeakPolarHBondContact CB-OD1 3.47Å; A393-N415 PolarHBondContact N-OD1 3.37Å; A393-Q440 CarbonylContact C-O 3.56Å; A393-Q440 WeakPolarHBondContact CA-O 3.39Å
394	R	94.6	Very high	94.1	Very high	131 Å²	131	64.4 Å²	64.4	49%	0.494	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	102	-179.7	-179.8	177.9	170.7	-80	-9.1	108.8	Q440	R394-Q440 PolarHBondContact N-O 3.44Å; R394-Q440 PolarHBondContact O-N 3.37Å
395	F	95.6	Very high	94.1	Very high	14 Å²	14	65.3 Å²	65.3	6%	0.061	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	144.1	-178.2	-67	-94.3	0	0	0	112.3	F357 I378 V380 A393 I408 T410 N415 G417 I437 S438 A439	F357-F395 HydrophobicContact CE1-CD1 4.5Å; F357-F395 AromaticContact CE1-CE1 3.92Å; F357-F395 HydrophobicContact CE1-CE1 3.92Å; F357-F395 HydrophobicContact CZ-CE1 4.49Å; I378-F395 HydrophobicContact CG2-CE1 4.31Å; V380-F395 HydrophobicContact CB-CZ 4.43Å; V380-F395 HydrophobicContact CG1-CE1 3.84Å; V380-F395 HydrophobicContact CG1-CZ 3.7Å; V380-F395 HydrophobicContact CG2-CZ 3.83Å; A393-F395 HydrophobicContact CB-CE2 3.88Å; A393-F395 HydrophobicContact CB-CZ 4.4Å; F395-I408 HydrophobicContact CB-CB 4.37Å; F395-I408 HydrophobicContact CB-CD1 3.69Å; F395-I408 HydrophobicContact CB-CG1 3.72Å; F395-I408 HydrophobicContact CB-CG2 3.73Å; F395-I408 HydrophobicContact CD1-CD1 3.97Å; F395-I408 HydrophobicContact CG-CD1 3.95Å; F395-I408 HydrophobicContact CG-CG1 4.26Å; F395-T410 HydrophobicContact CD2-CG2 4.38Å; F395-T410 HydrophobicContact CE2-CG2 4.17Å; F395-N415 WeakPolarHBondContact CE2-O 3.3Å; F395-G417 VanDerWaalsContact CE2-N 3.27Å; F395-G417 VanDerWaalsContact CZ-N 3.27Å; F395-I437 HydrophobicContact CD1-CG2 4.11Å; F395-S438 CarbonylContact C-O 3.53Å; F395-S438 WeakPolarHBondContact CA-O 3.46Å; F395-A439 HydrophobicContact CD1-CB 4.14Å; F395-A439 HydrophobicContact CE1-CB 3.89Å; F395-A439 HydrophobicContact CZ-CB 4.41Å
396	V	94.9	Very high	94.2	Very high	41 Å²	41	61 Å²	61	25%	0.248	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	124.3	178.6	-176	0	0	0	0	109.7	T398 I437 S438	V396-T398 HydrophobicContact CG1-CG2 4.25Å; V396-T398 PolarHBondContact O-N 3.08Å; V396-I437 WeakPolarHBondContact O-CA 3.3Å; V396-S438 PolarHBondContact N-O 3.44Å; V396-S438 PolarHBondContact O-N 3.32Å
397	I	96.5	Very high	94.3	Very high	33 Å²	33	60.4 Å²	60.4	17%	0.169	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	117.1	168.3	-50.8	175	0	0	0	107.7	N401 F406 I408 L419 L435 M436 I437	I397-N401 HydrophobicContact CG2-CB 3.81Å; I397-F406 HydrophobicContact CD1-CB 3.76Å; I397-I408 HydrophobicContact CD1-CB 4.35Å; I397-I408 HydrophobicContact CD1-CG2 4.29Å; I397-I408 HydrophobicContact CG1-CB 4.21Å; I397-I408 HydrophobicContact CG1-CG2 3.71Å; I397-L419 HydrophobicContact CD1-CD1 4.01Å; I397-L435 HydrophobicContact CG2-CB 4.49Å; I397-L435 HydrophobicContact CG2-CD2 4.25Å; I397-M436 CarbonylContact C-O 3.54Å; I397-M436 WeakPolarHBondContact CA-O 3.18Å; I397-I437 HydrophobicContact CG1-CG1 4.34Å
398	T	94.6	Very high	94.6	Very high	68 Å²	68	54.5 Å²	54.5	42%	0.417	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-23.6	-173.2	59.8	0	0	0	0	113.7	V396 M436	V396-T398 HydrophobicContact CG1-CG2 4.25Å; V396-T398 PolarHBondContact O-N 3.08Å; T398-M436 PolarHBondContact N-O 2.86Å; T398-M436 VanDerWaalsContact OG1-CB 3.31Å; T398-M436 WeakPolarHBondContact OG1-CB 3.32Å; T398-M436 PolarHBondContact OG1-O 2.83Å
399	Q	95.1	Very high	94.6	Very high	122 Å²	122	55.8 Å²	55.8	57%	0.57	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.7	178	-52	-179.9	3.3	0	0	110.6	L435 M436	Q399-L435 WeakPolarHBondContact O-CA 3.4Å; Q399-M436 HydrophobicContact CB-CB 3.91Å; Q399-M436 HydrophobicContact CB-CG 4.04Å; Q399-M436 HydrophobicContact CG-CB 4.12Å; Q399-M436 HydrophobicContact CG-CG 4.23Å; Q399-M436 PolarHBondContact O-N 3.2Å
400	G	92.3	Very high	94.7	Very high	17 Å²	17	54.5 Å²	54.5	18%	0.175	28%	0.277	C	S	.	.	S	Bend	trans	90	9.3	171.3	0	0	0	0	0	115.5	E402 V433 K434 L435	G400-E402 WeakPolarHBondContact CA-OE1 3.21Å; G400-E402 VanDerWaalsContact CA-OE2 3.24Å; G400-E402 WeakPolarHBondContact CA-OE2 3.49Å; G400-E402 PolarHBondContact N-OE1 3.39Å; G400-V433 WeakPolarHBondContact O-CG1 3.4Å; G400-K434 WeakPolarHBondContact CA-O 3.24Å; G400-L435 WeakPolarHBondContact O-CD2 3.38Å
401	N	95.1	Very high	94.7	Very high	42 Å²	42	54.1 Å²	54.1	23%	0.225	27%	0.274	C	S	.	.			trans	-127.2	33.6	-178	-169	28.7	0	0	0	111.9	I397 N403 G404 N405 F406 L435	I397-N401 HydrophobicContact CG2-CB 3.81Å; N401-N403 PolarHBondContact O-N 2.87Å; N401-G404 PolarHBondContact O-N 2.82Å; N401-G404 WeakPolarHBondContact OD1-CA 3.44Å; N401-N405 PolarHBondContact OD1-N 2.67Å; N401-F406 PolarHBondContact ND2-O 3.29Å; N401-F406 PolarHBondContact OD1-N 3.29Å; N401-L435 HydrophobicContact CB-CD2 4.31Å
402	E	91.9	Very high	94.5	Very high	149 Å²	149	58.1 Å²	58.1	70%	0.696	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-30.8	-174.5	-63.9	67.2	-145.4	0	0	111.9	G400	G400-E402 WeakPolarHBondContact CA-OE1 3.21Å; G400-E402 VanDerWaalsContact CA-OE2 3.24Å; G400-E402 WeakPolarHBondContact CA-OE2 3.49Å; G400-E402 PolarHBondContact N-OE1 3.39Å
403	N	91.3	Very high	94.2	Very high	124 Å²	124	64.4 Å²	64.4	66%	0.663	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-9.8	176.4	-68.8	28.9	0	0	0	113.2	N401 N405 K423	N401-N403 PolarHBondContact O-N 2.87Å; N403-N405 WeakPolarHBondContact CB-OD1 3.48Å; N403-K423 PolarHBondContact O-NZ 2.68Å
404	G	93	Very high	94	Very high	26 Å²	26	67.3 Å²	67.3	27%	0.268	35%	0.35	S	S	.	.			trans	63.9	44.7	-174.3	0	0	0	0	0	113.1	N401 K423	N401-G404 PolarHBondContact O-N 2.82Å; N401-G404 WeakPolarHBondContact OD1-CA 3.44Å; G404-K423 VanDerWaalsContact O-CD 3.23Å; G404-K423 WeakPolarHBondContact O-CD 3.06Å; G404-K423 WeakPolarHBondContact O-CE 3.48Å; G404-K423 PolarHBondContact O-NZ 3.24Å
405	N	94.8	Very high	94	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.118	33%	0.328	C	S	.	.			trans	-82.4	-21.9	175.6	-82.1	82.1	0	0	0	113	N401 N403 V421 V422 K423 P424 L425	N401-N405 PolarHBondContact OD1-N 2.67Å; N403-N405 WeakPolarHBondContact CB-OD1 3.48Å; N405-V421 CarbonylContact O-C 3.58Å; N405-V421 WeakPolarHBondContact O-CA 3.43Å; N405-V422 WeakPolarHBondContact O-CG2 3.49Å; N405-V422 PolarHBondContact O-N 2.78Å; N405-K423 PolarHBondContact ND2-O 3.01Å; N405-K423 PolarHBondContact O-N 3.25Å; N405-P424 PolarHBondContact ND2-O 3.37Å; N405-L425 HydrophobicContact CB-CD2 3.96Å
406	F	96.6	Very high	94	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.039	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	152.6	-175.4	-59.2	-94.9	0	0	0	112.1	I397 N401 L419 Y420 V421 L425 V433 L435 V459	I397-F406 HydrophobicContact CD1-CB 3.76Å; N401-F406 PolarHBondContact ND2-O 3.29Å; N401-F406 PolarHBondContact OD1-N 3.29Å; F406-L419 HydrophobicContact CB-CD1 4.24Å; F406-L419 HydrophobicContact CD1-CD1 4.21Å; F406-L419 HydrophobicContact CD1-CG 4.48Å; F406-Y420 CarbonylContact C-O 3.57Å; F406-Y420 VanDerWaalsContact CA-O 3.24Å; F406-Y420 WeakPolarHBondContact CA-O 3.19Å; F406-V421 HydrophobicContact CD1-CG2 3.57Å; F406-V421 HydrophobicContact CE1-CG2 3.37Å; F406-V421 HydrophobicContact CZ-CG2 4.16Å; F406-L425 HydrophobicContact CE1-CD1 4.34Å; F406-L425 HydrophobicContact CE2-CD1 4.41Å; F406-L425 HydrophobicContact CE2-CD2 4.21Å; F406-L425 HydrophobicContact CZ-CD1 3.7Å; F406-L425 HydrophobicContact CZ-CD2 4.3Å; F406-V433 HydrophobicContact CE2-CB 4.23Å; F406-V433 HydrophobicContact CE2-CG1 3.84Å; F406-V433 HydrophobicContact CE2-CG2 4.26Å; F406-V433 HydrophobicContact CZ-CB 4.2Å; F406-V433 HydrophobicContact CZ-CG1 4.25Å; F406-V433 HydrophobicContact CZ-CG2 4.31Å; F406-L435 HydrophobicContact CB-CD1 4.45Å; F406-L435 HydrophobicContact CD1-CD1 3.86Å; F406-L435 HydrophobicContact CD2-CD1 4.28Å; F406-L435 HydrophobicContact CD2-CD2 3.9Å; F406-L435 HydrophobicContact CE1-CD1 4.1Å; F406-L435 HydrophobicContact CE2-CD2 4.13Å; F406-L435 HydrophobicContact CG-CD1 3.94Å; F406-L435 HydrophobicContact CG-CD2 4.32Å; F406-L435 HydrophobicContact CZ-CD1 4.42Å; F406-V459 HydrophobicContact CE1-CB 4.48Å; F406-V459 HydrophobicContact CE1-CG1 4.14Å; F406-V459 HydrophobicContact CE1-CG2 4.09Å; F406-V459 HydrophobicContact CZ-CB 4.39Å; F406-V459 HydrophobicContact CZ-CG1 4.19Å; F406-V459 HydrophobicContact CZ-CG2 4.34Å
407	R	96.1	Very high	94.1	Very high	120 Å²	120	60.6 Å²	60.6	45%	0.453	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149.5	165.5	-169	-179.5	79.7	-152.6	-0.3	108.2	D409 Y420 V422	R407-D409 IonicContact CZ-OD1 2.94Å; R407-D409 IonicContact CZ-OD2 3.3Å; R407-D409 VanDerWaalsContact NE-CG 3.27Å; R407-D409 IonicContact NE-OD1 2.8Å; R407-D409 PolarHBondContact NE-OD1 3.14Å; R407-D409 IonicContact NE-OD2 2.67Å; R407-D409 PolarHBondContact NE-OD2 3.11Å; R407-D409 IonicContact NH2-OD1 3.2Å; R407-D409 IonicContact NH2-OD2 2.63Å; R407-D409 PolarHBondContact NH2-OD2 3.35Å; R407-Y420 PolarHBondContact N-O 3.08Å; R407-Y420 PolarHBondContact O-N 2.86Å; R407-V422 HydrophobicContact CB-CG1 3.81Å
408	I	97.1	Very high	94.1	Very high	20 Å²	20	59.7 Å²	59.7	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.9	165.7	-166.5	160.2	0	0	0	109.4	I378 F395 I397 L418 L419 I437	I378-I408 HydrophobicContact CD1-CD1 4.04Å; F395-I408 HydrophobicContact CB-CB 4.37Å; F395-I408 HydrophobicContact CB-CD1 3.69Å; F395-I408 HydrophobicContact CB-CG1 3.72Å; F395-I408 HydrophobicContact CB-CG2 3.73Å; F395-I408 HydrophobicContact CD1-CD1 3.97Å; F395-I408 HydrophobicContact CG-CD1 3.95Å; F395-I408 HydrophobicContact CG-CG1 4.26Å; I397-I408 HydrophobicContact CD1-CB 4.35Å; I397-I408 HydrophobicContact CD1-CG2 4.29Å; I397-I408 HydrophobicContact CG1-CB 4.21Å; I397-I408 HydrophobicContact CG1-CG2 3.71Å; I408-L418 WeakPolarHBondContact CA-O 3.28Å; I408-L419 HydrophobicContact CB-CD1 4.38Å; I408-L419 HydrophobicContact CD1-CB 4.43Å; I408-I437 HydrophobicContact CD1-CD1 3.99Å; I408-I437 HydrophobicContact CD1-CG2 3.8Å
409	D	95.4	Very high	94.2	Very high	54 Å²	54	56.4 Å²	56.4	29%	0.289	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	163.7	175.6	-46.9	-64.5	0	0	0	108.7	R407 L418 Y420	R407-D409 IonicContact CZ-OD1 2.94Å; R407-D409 IonicContact CZ-OD2 3.3Å; R407-D409 VanDerWaalsContact NE-CG 3.27Å; R407-D409 IonicContact NE-OD1 2.8Å; R407-D409 PolarHBondContact NE-OD1 3.14Å; R407-D409 IonicContact NE-OD2 2.67Å; R407-D409 PolarHBondContact NE-OD2 3.11Å; R407-D409 IonicContact NH2-OD1 3.2Å; R407-D409 IonicContact NH2-OD2 2.63Å; R407-D409 PolarHBondContact NH2-OD2 3.35Å; D409-L418 PolarHBondContact N-O 3.01Å; D409-L418 VanDerWaalsContact N-O 3.13Å; D409-L418 PolarHBondContact O-N 2.93Å; D409-Y420 VanDerWaalsContact OD2-CD2 3.32Å; D409-Y420 WeakPolarHBondContact OD2-CD2 3.37Å; D409-Y420 VanDerWaalsContact OD2-CE2 3.27Å; D409-Y420 WeakPolarHBondContact OD2-CE2 3.44Å
410	T	95.8	Very high	94.3	Very high	45 Å²	45	53.3 Å²	53.3	28%	0.276	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137.7	171.2	-48.6	0	0	0	0	110.2	A393 F395 P412	A393-T410 HydrophobicContact CB-CG2 4.47Å; A393-T410 WeakPolarHBondContact O-CB 3.32Å; A393-T410 VanDerWaalsContact O-CG2 3.28Å; A393-T410 WeakPolarHBondContact O-CG2 3.43Å; A393-T410 PolarHBondContact O-OG1 2.69Å; F395-T410 HydrophobicContact CD2-CG2 4.38Å; F395-T410 HydrophobicContact CE2-CG2 4.17Å; T410-P412 WeakPolarHBondContact O-CD 3.45Å
411	D	94.5	Very high	94.4	Very high	20 Å²	20	52.5 Å²	52.5	11%	0.107	27%	0.273	C	S	.	.			trans	-75.1	113	166.6	-166.3	-40	0	0	0	109.8	R377 E413 T414 N415 E416 L418	R377-D411 IonicContact CZ-OD2 3.51Å; R377-D411 VanDerWaalsContact CZ-OD2 3.24Å; R377-D411 IonicContact NH1-OD2 3.4Å; R377-D411 PolarHBondContact NH1-OD2 3.44Å; R377-D411 IonicContact NH2-OD2 2.69Å; R377-D411 PolarHBondContact NH2-OD2 2.94Å; D411-E413 PolarHBondContact O-N 2.8Å; D411-E413 PolarHBondContact OD1-N 3.25Å; D411-T414 WeakPolarHBondContact CB-OG1 3.42Å; D411-T414 VanDerWaalsContact CG-OG1 3.26Å; D411-T414 PolarHBondContact O-N 2.89Å; D411-N415 WeakPolarHBondContact O-CA 3.21Å; D411-N415 PolarHBondContact O-N 2.84Å; D411-E416 HydrophobicContact CB-CB 4.35Å; D411-E416 PolarHBondContact N-O 3.28Å; D411-L418 HydrophobicContact CB-CD1 3.91Å; D411-L418 HydrophobicContact CB-CD2 4.11Å; D411-L418 HydrophobicContact CB-CG 3.97Å
412	P	89.5	Confident	94.4	Very high	118 Å²	118	52.7 Å²	52.7	77%	0.766	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.2	-172.3	31.8	-37	0	0	0	114	T410	T410-P412 WeakPolarHBondContact O-CD 3.45Å
413	E	88.6	Confident	94.5	Very high	172 Å²	172	50.7 Å²	50.7	80%	0.804	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-30.9	174.8	-63.7	-165.9	161.9	0	0	112.6	D411	D411-E413 PolarHBondContact O-N 2.8Å; D411-E413 PolarHBondContact OD1-N 3.25Å
414	T	91.6	Very high	94.5	Very high	66 Å²	66	47.9 Å²	47.9	41%	0.405	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-5.3	-172.4	66.2	0	0	0	0	115.2	D411 E416	D411-T414 WeakPolarHBondContact CB-OG1 3.42Å; D411-T414 VanDerWaalsContact CG-OG1 3.26Å; D411-T414 PolarHBondContact O-N 2.89Å; T414-E416 PolarHBondContact O-N 3.09Å; T414-E416 VanDerWaalsContact OG1-CG 3.31Å; T414-E416 WeakPolarHBondContact OG1-CG 3.35Å; T414-E416 PolarHBondContact OG1-OE2 3.18Å
415	N	94.1	Very high	94.5	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.032	24%	0.244	C	C	.	.			trans	62.9	8.7	-173.4	-137.8	19	0	0	0	114.8	V380 W391 A393 F395 D411	V380-N415 WeakPolarHBondContact CG2-O 3.45Å; W391-N415 HydrophobicContact CE3-CB 4.49Å; W391-N415 HydrophobicContact CH2-CB 3.64Å; W391-N415 HydrophobicContact CZ2-CB 4.02Å; W391-N415 HydrophobicContact CZ3-CB 3.88Å; W391-N415 PolarHBondContact O-ND2 3.01Å; A393-N415 VanDerWaalsContact CB-OD1 3.28Å; A393-N415 WeakPolarHBondContact CB-OD1 3.47Å; A393-N415 PolarHBondContact N-OD1 3.37Å; F395-N415 WeakPolarHBondContact CE2-O 3.3Å; D411-N415 WeakPolarHBondContact O-CA 3.21Å; D411-N415 PolarHBondContact O-N 2.84Å
416	E	95.5	Very high	94.3	Very high	39 Å²	39	48.7 Å²	48.7	18%	0.182	25%	0.251	C	S	.	.			trans	-77.3	143.5	-176.1	-64.3	-175.8	133.7	0	0	112.6	R377 P379 D411 T414 L418	R377-E416 WeakPolarHBondContact CD-OE2 3.46Å; R377-E416 IonicContact CZ-OE2 3.64Å; R377-E416 IonicContact NE-OE2 2.75Å; R377-E416 IonicContact NH1-OE2 2.67Å; R377-E416 PolarHBondContact NH1-OE2 2.84Å; P379-E416 HydrophobicContact CB-CG 4.33Å; D411-E416 HydrophobicContact CB-CB 4.35Å; D411-E416 PolarHBondContact N-O 3.28Å; T414-E416 PolarHBondContact O-N 3.09Å; T414-E416 VanDerWaalsContact OG1-CG 3.31Å; T414-E416 WeakPolarHBondContact OG1-CG 3.35Å; T414-E416 PolarHBondContact OG1-OE2 3.18Å; E416-L418 PolarHBondContact O-N 2.84Å
417	G	96.1	Very high	94.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	116.7	173.5	0	0	0	0	0	111.5	R377 I378 F395	R377-G417 CarbonylContact C-O 3.56Å; R377-G417 WeakPolarHBondContact CA-O 3.43Å; I378-G417 PolarHBondContact N-O 2.85Å; I378-G417 PolarHBondContact O-N 3.29Å; F395-G417 VanDerWaalsContact CE2-N 3.27Å; F395-G417 VanDerWaalsContact CZ-N 3.27Å
418	L	96.8	Very high	93.7	Very high	14 Å²	14	47.1 Å²	47.1	7%	0.073	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	97.9	-179.3	-57.3	-175.1	0	0	0	110.2	L374 R377 I408 D409 D411 E416 Y420	L374-L418 HydrophobicContact CD1-CB 3.85Å; L374-L418 HydrophobicContact CD1-CD2 4.25Å; R377-L418 HydrophobicContact CG-CD2 3.79Å; I408-L418 WeakPolarHBondContact CA-O 3.28Å; D409-L418 PolarHBondContact N-O 3.01Å; D409-L418 VanDerWaalsContact N-O 3.13Å; D409-L418 PolarHBondContact O-N 2.93Å; D411-L418 HydrophobicContact CB-CD1 3.91Å; D411-L418 HydrophobicContact CB-CD2 4.11Å; D411-L418 HydrophobicContact CB-CG 3.97Å; E416-L418 PolarHBondContact O-N 2.84Å; L418-Y420 HydrophobicContact CB-CD2 4.34Å; L418-Y420 HydrophobicContact CB-CE2 3.58Å; L418-Y420 HydrophobicContact CD1-CE2 4.48Å; L418-Y420 VanDerWaalsContact O-CD2 3.25Å; L418-Y420 WeakPolarHBondContact O-CD2 3.11Å
419	L	97.4	Very high	93.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.3	-179.6	-179.7	67.7	0	0	0	110.7	V375 L376 I397 F406 I408 L435 I437 V457	V375-L419 PolarHBondContact N-O 3.47Å; L376-L419 HydrophobicContact CB-CB 4.19Å; L376-L419 HydrophobicContact CB-CD2 4.27Å; L376-L419 PolarHBondContact N-O 2.8Å; L376-L419 PolarHBondContact O-N 2.95Å; I397-L419 HydrophobicContact CD1-CD1 4.01Å; F406-L419 HydrophobicContact CB-CD1 4.24Å; F406-L419 HydrophobicContact CD1-CD1 4.21Å; F406-L419 HydrophobicContact CD1-CG 4.48Å; I408-L419 HydrophobicContact CB-CD1 4.38Å; I408-L419 HydrophobicContact CD1-CB 4.43Å; L419-L435 HydrophobicContact CD1-CD1 3.94Å; L419-L435 HydrophobicContact CD2-CD1 3.89Å; L419-I437 HydrophobicContact CD1-CD1 4.08Å; L419-I437 HydrophobicContact CD2-CD1 4.32Å; L419-V457 HydrophobicContact CD2-CG1 4.32Å
420	Y	96.3	Very high	92.9	Very high	56 Å²	56	52.9 Å²	52.9	22%	0.22	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.8	177.6	-65.8	-90.9	0	0	0	112.1	M373 L374 F406 R407 D409 L418	M373-Y420 VanDerWaalsContact O-CA 3.32Å; M373-Y420 WeakPolarHBondContact O-CA 3.28Å; L374-Y420 HydrophobicContact CB-CD1 4.06Å; L374-Y420 HydrophobicContact CB-CE1 3.75Å; L374-Y420 HydrophobicContact CD1-CD1 4.42Å; L374-Y420 HydrophobicContact CD1-CD2 4.46Å; L374-Y420 HydrophobicContact CD1-CE1 4.07Å; L374-Y420 HydrophobicContact CD1-CE2 4.12Å; F406-Y420 CarbonylContact C-O 3.57Å; F406-Y420 VanDerWaalsContact CA-O 3.24Å; F406-Y420 WeakPolarHBondContact CA-O 3.19Å; R407-Y420 PolarHBondContact N-O 3.08Å; R407-Y420 PolarHBondContact O-N 2.86Å; D409-Y420 VanDerWaalsContact OD2-CD2 3.32Å; D409-Y420 WeakPolarHBondContact OD2-CD2 3.37Å; D409-Y420 VanDerWaalsContact OD2-CE2 3.27Å; D409-Y420 WeakPolarHBondContact OD2-CE2 3.44Å; L418-Y420 HydrophobicContact CB-CD2 4.34Å; L418-Y420 HydrophobicContact CB-CE2 3.58Å; L418-Y420 HydrophobicContact CD1-CE2 4.48Å; L418-Y420 VanDerWaalsContact O-CD2 3.25Å; L418-Y420 WeakPolarHBondContact O-CD2 3.11Å
421	V	95.9	Very high	92.6	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.1	159.9	165.3	0	0	0	0	108.4	V366 Q370 A371 D372 M373 V375 N405 F406 K423 L425	V366-V421 HydrophobicContact CG1-CG2 4.41Å; V366-V421 HydrophobicContact CG2-CG2 4.34Å; Q370-V421 WeakPolarHBondContact O-CG1 3.47Å; A371-V421 CarbonylContact C-O 3.42Å; D372-V421 VanDerWaalsContact CA-O 3.3Å; D372-V421 WeakPolarHBondContact CA-O 3.38Å; D372-V421 PolarHBondContact N-O 2.04Å; M373-V421 PolarHBondContact N-O 3.27Å; M373-V421 PolarHBondContact O-N 3.5Å; V375-V421 HydrophobicContact CG2-CB 4.11Å; V375-V421 HydrophobicContact CG2-CG2 3.65Å; N405-V421 CarbonylContact O-C 3.58Å; N405-V421 WeakPolarHBondContact O-CA 3.43Å; F406-V421 HydrophobicContact CD1-CG2 3.57Å; F406-V421 HydrophobicContact CE1-CG2 3.37Å; F406-V421 HydrophobicContact CZ-CG2 4.16Å; V421-K423 WeakPolarHBondContact CG1-O 3.38Å; V421-L425 HydrophobicContact CG2-CD1 4.29Å
422	V	94.6	Very high	92.5	Very high	45 Å²	45	59 Å²	59	27%	0.273	31%	0.307	S	S	.	.			trans	-114.2	-8.8	-176.3	-64.9	0	0	0	0	113.4	N405 R407	N405-V422 WeakPolarHBondContact O-CG2 3.49Å; N405-V422 PolarHBondContact O-N 2.78Å; R407-V422 HydrophobicContact CB-CG1 3.81Å
423	K	93.6	Very high	92.7	Very high	107 Å²	107	54.8 Å²	54.8	47%	0.465	28%	0.279	S	S	.	.	S	Bend	trans	-136.3	140.5	166.3	-56.5	177.5	-170.1	168.2	0	109	N403 G404 N405 V421 L425	N403-K423 PolarHBondContact O-NZ 2.68Å; G404-K423 VanDerWaalsContact O-CD 3.23Å; G404-K423 WeakPolarHBondContact O-CD 3.06Å; G404-K423 WeakPolarHBondContact O-CE 3.48Å; G404-K423 PolarHBondContact O-NZ 3.24Å; N405-K423 PolarHBondContact ND2-O 3.01Å; N405-K423 PolarHBondContact O-N 3.25Å; V421-K423 WeakPolarHBondContact CG1-O 3.38Å; K423-L425 PolarHBondContact O-N 2.67Å
424	P	92.3	Very high	93	Very high	66 Å²	66	52.9 Å²	52.9	43%	0.429	27%	0.268	S	S	.	.			trans	-55.1	138.5	-179.3	23.9	-34.2	0	0	0	111.9	Q370 N405	Q370-P424 WeakPolarHBondContact O-CA 3.05Å; N405-P424 PolarHBondContact ND2-O 3.37Å
425	L	92.7	Very high	93.3	Very high	15 Å²	15	49.8 Å²	49.8	8%	0.079	25%	0.249	C	C	.	.			trans	-87.9	167	165.5	-63.9	169.1	0	0	0	109.2	V366 E368 N369 N405 F406 V421 K423 V433 V461	V366-L425 HydrophobicContact CG1-CD1 3.64Å; E368-L425 WeakPolarHBondContact CB-O 3.43Å; N369-L425 PolarHBondContact N-O 3.1Å; N405-L425 HydrophobicContact CB-CD2 3.96Å; F406-L425 HydrophobicContact CE1-CD1 4.34Å; F406-L425 HydrophobicContact CE2-CD1 4.41Å; F406-L425 HydrophobicContact CE2-CD2 4.21Å; F406-L425 HydrophobicContact CZ-CD1 3.7Å; F406-L425 HydrophobicContact CZ-CD2 4.3Å; V421-L425 HydrophobicContact CG2-CD1 4.29Å; K423-L425 PolarHBondContact O-N 2.67Å; L425-V433 HydrophobicContact CD2-CG2 4.2Å; L425-V461 HydrophobicContact CB-CG1 4.2Å; L425-V461 HydrophobicContact CB-CG2 4.08Å; L425-V461 HydrophobicContact CD1-CG2 3.93Å
426	D	90.6	Very high	93.4	Very high	50 Å²	50	51.8 Å²	51.8	27%	0.267	26%	0.259	S	S	.	.			trans	-145.9	113.5	-168.4	176.6	-58.4	0	0	0	106.6	E428 K429 G430	D426-E428 PolarHBondContact OD1-N 2.77Å; D426-K429 HydrophobicContact CB-CB 4.26Å; D426-K429 HydrophobicContact CB-CD 4.24Å; D426-K429 PolarHBondContact O-N 2.76Å; D426-K429 VanDerWaalsContact OD1-CB 3.22Å; D426-K429 WeakPolarHBondContact OD1-CB 3.43Å; D426-K429 WeakPolarHBondContact OD1-CG 3.39Å; D426-K429 PolarHBondContact OD1-N 3.28Å; D426-K429 IonicContact OD1-NZ 3.74Å; D426-K429 WeakPolarHBondContact OD2-CD 3.37Å; D426-K429 WeakPolarHBondContact OD2-CE 3.31Å; D426-K429 IonicContact OD2-NZ 3.15Å; D426-K429 PolarHBondContact OD2-NZ 2.98Å; D426-G430 PolarHBondContact O-N 2.83Å
427	Y	91.3	Very high	93.5	Very high	45 Å²	45	49.9 Å²	49.9	18%	0.176	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-35.8	-168.7	173.6	-110.7	0	0	0	111.4	E368 K429 G430 K431 V461 D463	E368-Y427 VanDerWaalsContact CD-CB 3.47Å; E368-Y427 WeakPolarHBondContact OE1-CB 3.36Å; E368-Y427 WeakPolarHBondContact OE2-CB 3.33Å; E368-Y427 PolarHBondContact OE2-N 3.11Å; Y427-K429 VanDerWaalsContact C-N 3.3Å; Y427-K429 PolarHBondContact O-N 3.26Å; Y427-G430 PolarHBondContact O-N 2.83Å; Y427-K431 HydrophobicContact CD2-CB 3.84Å; Y427-K431 HydrophobicContact CD2-CD 4.14Å; Y427-K431 HydrophobicContact CD2-CG 3.54Å; Y427-K431 HydrophobicContact CE1-CD 4.22Å; Y427-K431 HydrophobicContact CE2-CB 3.8Å; Y427-K431 HydrophobicContact CE2-CD 3.65Å; Y427-K431 HydrophobicContact CE2-CG 3.53Å; Y427-K431 HydrophobicContact CG-CG 4.07Å; Y427-K431 WeakPolarHBondContact O-CG 3.34Å; Y427-K431 PolarHBondContact O-N 3.06Å; Y427-V461 HydrophobicContact CD2-CB 4.27Å; Y427-V461 HydrophobicContact CD2-CG1 4.41Å; Y427-V461 WeakPolarHBondContact CD2-O 2.99Å; Y427-D463 HydrophobicContact CD1-CB 3.84Å; Y427-D463 HydrophobicContact CD2-CB 4.43Å; Y427-D463 HydrophobicContact CE1-CB 3.43Å; Y427-D463 VanDerWaalsContact CE1-CB 3.43Å; Y427-D463 WeakPolarHBondContact CE1-OD2 3.37Å; Y427-D463 HydrophobicContact CE2-CB 4.1Å; Y427-D463 HydrophobicContact CG-CB 4.32Å; Y427-D463 VanDerWaalsContact CZ-OD2 3.24Å; Y427-D463 PolarHBondContact OH-OD2 3.25Å
428	E	88.4	Confident	93.4	Very high	51 Å²	51	50 Å²	50	24%	0.238	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.6	175.6	-87.4	36.1	-98.4	0	0	112.8	D426 K431 P497	D426-E428 PolarHBondContact OD1-N 2.77Å; E428-K431 IonicContact OE1-NZ 3.56Å; E428-K431 PolarHBondContact OE1-NZ 3.06Å; E428-P497 HydrophobicContact CG-CB 4.42Å; E428-P497 VanDerWaalsContact CG-O 3.27Å; E428-P497 WeakPolarHBondContact CG-O 3.37Å
429	K	87.3	Confident	93.3	Very high	165 Å²	165	49.4 Å²	49.4	72%	0.717	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-34.6	171.6	-69.2	172.7	-170.4	68.7	0	112.8	D426 Y427	D426-K429 HydrophobicContact CB-CB 4.26Å; D426-K429 HydrophobicContact CB-CD 4.24Å; D426-K429 PolarHBondContact O-N 2.76Å; D426-K429 VanDerWaalsContact OD1-CB 3.22Å; D426-K429 WeakPolarHBondContact OD1-CB 3.43Å; D426-K429 WeakPolarHBondContact OD1-CG 3.39Å; D426-K429 PolarHBondContact OD1-N 3.28Å; D426-K429 IonicContact OD1-NZ 3.74Å; D426-K429 WeakPolarHBondContact OD2-CD 3.37Å; D426-K429 WeakPolarHBondContact OD2-CE 3.31Å; D426-K429 IonicContact OD2-NZ 3.15Å; D426-K429 PolarHBondContact OD2-NZ 2.98Å; Y427-K429 VanDerWaalsContact C-N 3.3Å; Y427-K429 PolarHBondContact O-N 3.26Å
430	G	87.3	Confident	93.1	Very high	30 Å²	30	51.2 Å²	51.2	31%	0.309	26%	0.257	S	S	.	.			trans	-163.7	89.5	-172.4	0	0	0	0	0	116.2	D426 Y427 T432 V461	D426-G430 PolarHBondContact O-N 2.83Å; Y427-G430 PolarHBondContact O-N 2.83Å; G430-T432 PolarHBondContact O-N 2.82Å; G430-T432 VanDerWaalsContact O-N 3.16Å; G430-V461 VanDerWaalsContact O-CG2 3.3Å; G430-V461 WeakPolarHBondContact O-CG2 3.22Å
431	K	91.3	Very high	93	Very high	95 Å²	95	48.9 Å²	48.9	41%	0.413	25%	0.248	S	C	.	.	S	Bend	trans	-63.4	-19.7	-179	-53.1	-172.8	-175.6	-80.3	0	115	Y427 E428 V461	Y427-K431 HydrophobicContact CD2-CB 3.84Å; Y427-K431 HydrophobicContact CD2-CD 4.14Å; Y427-K431 HydrophobicContact CD2-CG 3.54Å; Y427-K431 HydrophobicContact CE1-CD 4.22Å; Y427-K431 HydrophobicContact CE2-CB 3.8Å; Y427-K431 HydrophobicContact CE2-CD 3.65Å; Y427-K431 HydrophobicContact CE2-CG 3.53Å; Y427-K431 HydrophobicContact CG-CG 4.07Å; Y427-K431 WeakPolarHBondContact O-CG 3.34Å; Y427-K431 PolarHBondContact O-N 3.06Å; E428-K431 IonicContact OE1-NZ 3.56Å; E428-K431 PolarHBondContact OE1-NZ 3.06Å; K431-V461 PolarHBondContact O-N 3.21Å
432	T	92	Very high	92.8	Very high	98 Å²	98	54.7 Å²	54.7	60%	0.601	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.1	137.3	174.4	56	0	0	0	0	112	G430 V459	G430-T432 PolarHBondContact O-N 2.82Å; G430-T432 VanDerWaalsContact O-N 3.16Å; T432-V459 CarbonylContact C-O 3.57Å; T432-V459 WeakPolarHBondContact CA-O 3.29Å
433	V	93.7	Very high	92.7	Very high	29 Å²	29	53.3 Å²	53.3	18%	0.176	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.6	168.9	-174.2	0	0	0	0	108.9	G400 F406 L425 L435 V459	G400-V433 WeakPolarHBondContact O-CG1 3.4Å; F406-V433 HydrophobicContact CE2-CB 4.23Å; F406-V433 HydrophobicContact CE2-CG1 3.84Å; F406-V433 HydrophobicContact CE2-CG2 4.26Å; F406-V433 HydrophobicContact CZ-CB 4.2Å; F406-V433 HydrophobicContact CZ-CG1 4.25Å; F406-V433 HydrophobicContact CZ-CG2 4.31Å; L425-V433 HydrophobicContact CD2-CG2 4.2Å; V433-L435 HydrophobicContact CG1-CD2 3.87Å; V433-L435 HydrophobicContact CG1-CG 4.38Å; V433-V459 HydrophobicContact CB-CB 4.44Å; V433-V459 PolarHBondContact N-O 3.03Å; V433-V459 PolarHBondContact O-N 3.38Å
434	K	95.3	Very high	92.6	Very high	132 Å²	132	53 Å²	53	57%	0.574	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	106.3	177.7	-66.8	-174.4	169.3	-82.9	0	109.4	G400 D458	G400-K434 WeakPolarHBondContact CA-O 3.24Å; K434-D458 WeakPolarHBondContact CG-OD1 3.24Å; K434-D458 IonicContact NZ-OD1 2.69Å; K434-D458 PolarHBondContact NZ-OD1 2.98Å; K434-D458 IonicContact NZ-OD2 2.96Å
435	L	96.6	Very high	92.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	141.3	177.9	-55.3	177.2	0	0	0	109.8	I397 Q399 G400 N401 F406 L419 V433 I437 P456 V457 V459	I397-L435 HydrophobicContact CG2-CB 4.49Å; I397-L435 HydrophobicContact CG2-CD2 4.25Å; Q399-L435 WeakPolarHBondContact O-CA 3.4Å; G400-L435 WeakPolarHBondContact O-CD2 3.38Å; N401-L435 HydrophobicContact CB-CD2 4.31Å; F406-L435 HydrophobicContact CB-CD1 4.45Å; F406-L435 HydrophobicContact CD1-CD1 3.86Å; F406-L435 HydrophobicContact CD2-CD1 4.28Å; F406-L435 HydrophobicContact CD2-CD2 3.9Å; F406-L435 HydrophobicContact CE1-CD1 4.1Å; F406-L435 HydrophobicContact CE2-CD2 4.13Å; F406-L435 HydrophobicContact CG-CD1 3.94Å; F406-L435 HydrophobicContact CG-CD2 4.32Å; F406-L435 HydrophobicContact CZ-CD1 4.42Å; L419-L435 HydrophobicContact CD1-CD1 3.94Å; L419-L435 HydrophobicContact CD2-CD1 3.89Å; V433-L435 HydrophobicContact CG1-CD2 3.87Å; V433-L435 HydrophobicContact CG1-CG 4.38Å; L435-I437 HydrophobicContact CB-CD1 4.45Å; L435-I437 HydrophobicContact CB-CG1 4.19Å; L435-I437 HydrophobicContact CD1-CD1 4.44Å; L435-P456 WeakPolarHBondContact O-CA 3.2Å; L435-V457 HydrophobicContact CB-CB 4.34Å; L435-V457 PolarHBondContact N-O 2.86Å; L435-V457 PolarHBondContact O-N 2.92Å; L435-V459 HydrophobicContact CD1-CG2 4.05Å; L435-V459 HydrophobicContact CG-CG2 4.44Å
436	M	96.6	Very high	92.1	Very high	48 Å²	48	54.5 Å²	54.5	24%	0.236	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.7	159.4	-69.6	-60.5	-54.7	0	0	108.5	I397 T398 Q399 I455 P456	I397-M436 CarbonylContact C-O 3.54Å; I397-M436 WeakPolarHBondContact CA-O 3.18Å; T398-M436 PolarHBondContact N-O 2.86Å; T398-M436 VanDerWaalsContact OG1-CB 3.31Å; T398-M436 WeakPolarHBondContact OG1-CB 3.32Å; T398-M436 PolarHBondContact OG1-O 2.83Å; Q399-M436 HydrophobicContact CB-CB 3.91Å; Q399-M436 HydrophobicContact CB-CG 4.04Å; Q399-M436 HydrophobicContact CG-CB 4.12Å; Q399-M436 HydrophobicContact CG-CG 4.23Å; Q399-M436 PolarHBondContact O-N 3.2Å; M436-I455 WeakPolarHBondContact CA-O 3.35Å; M436-P456 HydrophobicContact SD-CB 3.83Å
437	I	96.6	Very high	91	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	126.1	-177.5	-58.3	-172.3	0	0	0	108.9	I378 F395 V396 I397 I408 L419 L435 S454 I455 V457	I378-I437 HydrophobicContact CD1-CD1 3.75Å; F395-I437 HydrophobicContact CD1-CG2 4.11Å; V396-I437 WeakPolarHBondContact O-CA 3.3Å; I397-I437 HydrophobicContact CG1-CG1 4.34Å; I408-I437 HydrophobicContact CD1-CD1 3.99Å; I408-I437 HydrophobicContact CD1-CG2 3.8Å; L419-I437 HydrophobicContact CD1-CD1 4.08Å; L419-I437 HydrophobicContact CD2-CD1 4.32Å; L435-I437 HydrophobicContact CB-CD1 4.45Å; L435-I437 HydrophobicContact CB-CG1 4.19Å; L435-I437 HydrophobicContact CD1-CD1 4.44Å; I437-S454 CarbonylContact O-C 3.51Å; I437-S454 VanDerWaalsContact O-CA 3.28Å; I437-S454 WeakPolarHBondContact O-CA 3.22Å; I437-I455 HydrophobicContact CB-CG1 4.33Å; I437-I455 PolarHBondContact N-O 2.84Å; I437-I455 WeakPolarHBondContact O-CG1 3.38Å; I437-I455 PolarHBondContact O-N 2.65Å; I437-V457 HydrophobicContact CD1-CB 4.4Å; I437-V457 HydrophobicContact CD1-CG2 3.85Å; I437-V457 HydrophobicContact CG1-CG2 4.2Å
438	S	94.9	Very high	89.5	Confident	3 Å²	3	58 Å²	58	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141.6	174.1	-175.2	0	0	0	0	110.5	F395 V396 Q440 L453 S454	F395-S438 CarbonylContact C-O 3.53Å; F395-S438 WeakPolarHBondContact CA-O 3.46Å; V396-S438 PolarHBondContact N-O 3.44Å; V396-S438 PolarHBondContact O-N 3.32Å; S438-Q440 PolarHBondContact OG-NE2 2.68Å; S438-L453 WeakPolarHBondContact CA-O 3.33Å; S438-L453 WeakPolarHBondContact CB-O 3.25Å; S438-L453 PolarHBondContact OG-O 3.32Å; S438-S454 WeakPolarHBondContact CB-OG 3.33Å
439	A	94.3	Very high	88	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.3	165.5	0	0	0	0	0	108.5	P355 F357 V380 F395 L453	P355-A439 HydrophobicContact CB-CB 3.94Å; P355-A439 HydrophobicContact CG-CB 4.43Å; F357-A439 HydrophobicContact CE1-CB 4.05Å; F357-A439 HydrophobicContact CE2-CB 3.88Å; F357-A439 HydrophobicContact CZ-CB 3.4Å; F357-A439 VanDerWaalsContact CZ-CB 3.4Å; V380-A439 HydrophobicContact CG1-CB 4.12Å; F395-A439 HydrophobicContact CD1-CB 4.14Å; F395-A439 HydrophobicContact CE1-CB 3.89Å; F395-A439 HydrophobicContact CZ-CB 4.41Å; A439-L453 PolarHBondContact N-O 2.69Å
440	Q	93.3	Very high	86.5	Confident	39 Å²	39	54.6 Å²	54.6	18%	0.182	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.9	-174.4	-49.2	-175.7	-13.9	0	0	107	A393 R394 S438 W452	A393-Q440 CarbonylContact C-O 3.56Å; A393-Q440 WeakPolarHBondContact CA-O 3.39Å; R394-Q440 PolarHBondContact N-O 3.44Å; R394-Q440 PolarHBondContact O-N 3.37Å; S438-Q440 PolarHBondContact OG-NE2 2.68Å; Q440-W452 HydrophobicContact CB-CD2 3.81Å; Q440-W452 HydrophobicContact CB-CE3 3.88Å; Q440-W452 HydrophobicContact CB-CG 4.32Å; Q440-W452 HydrophobicContact CB-CH2 4.26Å; Q440-W452 HydrophobicContact CB-CZ2 4.19Å; Q440-W452 HydrophobicContact CB-CZ3 4.11Å; Q440-W452 HydrophobicContact CG-CB 4.02Å; Q440-W452 HydrophobicContact CG-CD2 3.73Å; Q440-W452 HydrophobicContact CG-CE3 4.13Å; Q440-W452 HydrophobicContact CG-CG 3.69Å
441	N	93.6	Very high	85.8	Confident	7 Å²	7	58.7 Å²	58.7	4%	0.037	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	173.2	171.8	-48.7	97.6	0	0	0	111	N351 P355 D382 N390 N392 W452	N351-N441 WeakPolarHBondContact ND2-CB 3.47Å; N351-N441 PolarHBondContact ND2-OD1 3.41Å; P355-N441 VanDerWaalsContact CD-ND2 3.33Å; P355-N441 WeakPolarHBondContact CD-ND2 3.26Å; P355-N441 WeakPolarHBondContact CD-OD1 3.27Å; P355-N441 VanDerWaalsContact CG-ND2 3.25Å; P355-N441 WeakPolarHBondContact CG-ND2 3.31Å; D382-N441 PolarHBondContact OD2-ND2 2.91Å; N390-N441 WeakPolarHBondContact O-CB 3.3Å; N390-N441 PolarHBondContact O-ND2 2.94Å; N392-N441 CarbonylContact O-C 3.52Å; N392-N441 VanDerWaalsContact O-CA 3.24Å; N392-N441 WeakPolarHBondContact O-CA 3.45Å; N441-W452 HydrophobicContact CB-CH2 4.27Å; N441-W452 HydrophobicContact CB-CZ3 4.48Å; N441-W452 WeakPolarHBondContact OD1-CZ3 3.3Å
442	E	93.1	Very high	85.5	Confident	123 Å²	123	57.9 Å²	57.9	58%	0.575	35%	0.345	S	S	*	.	S	Bend	trans	-71.8	-35.2	165.4	-64.6	-170.2	122.4	0	0	111.5	P389 N392	P389-E442 HydrophobicContact CB-CB 4.07Å; P389-E442 PolarHBondContact O-N 2.86Å; N392-E442 HydrophobicContact CB-CG 3.87Å; N392-E442 WeakPolarHBondContact CB-OE2 3.49Å; N392-E442 PolarHBondContact ND2-OE2 2.92Å; N392-E442 PolarHBondContact O-N 2.8Å
443	A	92.4	Very high	85.2	Confident	15 Å²	15	56.7 Å²	56.7	12%	0.124	34%	0.335	C	S	.	.	S	Bend	trans	-81.5	154.3	171.5	0	0	0	0	0	112.6	N351 P389 N390	N351-A443 HydrophobicContact CB-CB 4.26Å; N351-A443 PolarHBondContact ND2-O 2.9Å; P389-A443 HydrophobicContact CB-CB 4.32Å; P389-A443 VanDerWaalsContact O-CB 3.31Å; P389-A443 WeakPolarHBondContact O-CB 3.38Å; P389-A443 PolarHBondContact O-N 3.35Å; N390-A443 WeakPolarHBondContact OD1-CB 3.38Å
444	P	90.4	Very high	85.2	Confident	101 Å²	101	58.1 Å²	58.1	66%	0.656	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-78.3	139.9	170.1	32.4	-33.4	0	0	0	111.6
445	L	89.4	Confident	85.2	Confident	37 Å²	37	52.3 Å²	52.3	19%	0.194	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-54.9	139	172.5	-80.7	156.6	0	0	0	113.2	N351 P354 W452	N351-L445 WeakPolarHBondContact OD1-CD2 3.32Å; P354-L445 HydrophobicContact CB-CD1 4.19Å; P354-L445 HydrophobicContact CB-CD2 3.89Å; P354-L445 HydrophobicContact CG-CD2 4.15Å; L445-W452 HydrophobicContact CB-CH2 4.48Å; L445-W452 HydrophobicContact CD1-CD2 3.97Å; L445-W452 HydrophobicContact CD1-CE3 3.53Å; L445-W452 HydrophobicContact CD1-CH2 3.71Å; L445-W452 HydrophobicContact CD1-CZ2 4.13Å; L445-W452 HydrophobicContact CD1-CZ3 3.37Å; L445-W452 HydrophobicContact CD2-CZ3 4.49Å; L445-W452 HydrophobicContact CG-CE3 4.32Å; L445-W452 HydrophobicContact CG-CH2 3.68Å; L445-W452 HydrophobicContact CG-CZ2 4.36Å; L445-W452 HydrophobicContact CG-CZ3 3.64Å
446	V	85.5	Confident	85.2	Confident	75 Å²	75	54.8 Å²	54.8	46%	0.455	34%	0.337	S	S	.	.			trans	-122.4	168	174.4	-170.6	0	0	0	0	107.8	I350 N351 M448	I350-V446 HydrophobicContact CD1-CG1 4.27Å; N351-V446 WeakPolarHBondContact O-CA 3.31Å; N351-V446 VanDerWaalsContact O-CB 3.29Å; N351-V446 WeakPolarHBondContact O-CB 3.49Å; N351-V446 PolarHBondContact O-N 2.76Å; V446-M448 PolarHBondContact O-N 2.74Å
447	G	68.1	Low	85.2	Confident	59 Å²	59	52.5 Å²	52.5	61%	0.608	33%	0.326	S	S	*	.	S	Bend	trans	75.3	-54.7	172.7	0	0	0	0	0	115.3
448	M	60.1	Low	85.2	Confident	110 Å²	110	54.7 Å²	54.7	54%	0.542	34%	0.338	S	S	.	.	S	Bend	trans	-99.2	153	-173.1	-60.7	-141	-167.6	0	0	114.3	V446 G450	V446-M448 PolarHBondContact O-N 2.74Å; M448-G450 PolarHBondContact O-N 3.02Å
449	A	55.4	Low	85.2	Confident	112 Å²	112	54.6 Å²	54.6	93%	0.926	34%	0.337	S	S	*	.			trans	-76	38.5	157.9	0	0	0	0	0	111.5	T451	A449-T451 PolarHBondContact O-N 3.19Å
450	G	57.4	Low	85.2	Confident	32 Å²	32	56.7 Å²	56.7	33%	0.33	35%	0.352	S	S	.	.			trans	-73.9	117.8	-173.7	0	0	0	0	0	111.3	M448	M448-G450 PolarHBondContact O-N 3.02Å
451	T	73	Confident	85.2	Confident	116 Å²	116	55.2 Å²	55.2	71%	0.712	35%	0.346	S	S	*	.			trans	-81.6	133.6	164.3	53	0	0	0	0	109.4	A449 L453	A449-T451 PolarHBondContact O-N 3.19Å; T451-L453 PolarHBondContact O-N 2.76Å
452	W	84.2	Confident	85.1	Confident	79 Å²	79	55.8 Å²	55.8	30%	0.299	35%	0.353	S	S	.	.			trans	-44.9	124.5	170.9	-61.7	127.6	0	0	0	111.8	P354 Q440 N441 L445	P354-W452 HydrophobicContact CB-CZ3 4.48Å; Q440-W452 HydrophobicContact CB-CD2 3.81Å; Q440-W452 HydrophobicContact CB-CE3 3.88Å; Q440-W452 HydrophobicContact CB-CG 4.32Å; Q440-W452 HydrophobicContact CB-CH2 4.26Å; Q440-W452 HydrophobicContact CB-CZ2 4.19Å; Q440-W452 HydrophobicContact CB-CZ3 4.11Å; Q440-W452 HydrophobicContact CG-CB 4.02Å; Q440-W452 HydrophobicContact CG-CD2 3.73Å; Q440-W452 HydrophobicContact CG-CE3 4.13Å; Q440-W452 HydrophobicContact CG-CG 3.69Å; N441-W452 HydrophobicContact CB-CH2 4.27Å; N441-W452 HydrophobicContact CB-CZ3 4.48Å; N441-W452 WeakPolarHBondContact OD1-CZ3 3.3Å; L445-W452 HydrophobicContact CB-CH2 4.48Å; L445-W452 HydrophobicContact CD1-CD2 3.97Å; L445-W452 HydrophobicContact CD1-CE3 3.53Å; L445-W452 HydrophobicContact CD1-CH2 3.71Å; L445-W452 HydrophobicContact CD1-CZ2 4.13Å; L445-W452 HydrophobicContact CD1-CZ3 3.37Å; L445-W452 HydrophobicContact CD2-CZ3 4.49Å; L445-W452 HydrophobicContact CG-CE3 4.32Å; L445-W452 HydrophobicContact CG-CH2 3.68Å; L445-W452 HydrophobicContact CG-CZ2 4.36Å; L445-W452 HydrophobicContact CG-CZ3 3.64Å
453	L	86.4	Confident	85	Confident	73 Å²	73	53.9 Å²	53.9	38%	0.382	35%	0.346	S	S	.	.			trans	-66.5	148	-179.1	-67	177.9	0	0	0	110.1	T356 F357 S438 A439 T451	T356-L453 HydrophobicContact CG2-CD1 4.22Å; F357-L453 HydrophobicContact CD2-CB 4.09Å; F357-L453 HydrophobicContact CE2-CB 3.91Å; S438-L453 WeakPolarHBondContact CA-O 3.33Å; S438-L453 WeakPolarHBondContact CB-O 3.25Å; S438-L453 PolarHBondContact OG-O 3.32Å; A439-L453 PolarHBondContact N-O 2.69Å; T451-L453 PolarHBondContact O-N 2.76Å
454	S	92.8	Very high	84.7	Confident	59 Å²	59	57.5 Å²	57.5	41%	0.413	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	130.4	178.5	-65.4	0	0	0	0	110.1	I437 S438	I437-S454 CarbonylContact O-C 3.51Å; I437-S454 VanDerWaalsContact O-CA 3.28Å; I437-S454 WeakPolarHBondContact O-CA 3.22Å; S438-S454 WeakPolarHBondContact CB-OG 3.33Å
455	I	95	Very high	84.5	Confident	10 Å²	10	56 Å²	56	5%	0.051	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.9	-177.6	49.1	156.4	0	0	0	112.1	F357 Y362 I378 M436 I437 V457	F357-I455 HydrophobicContact CB-CG2 3.93Å; F357-I455 HydrophobicContact CD1-CD1 3.41Å; F357-I455 VanDerWaalsContact CD1-CD1 3.41Å; F357-I455 HydrophobicContact CD1-CG1 3.85Å; F357-I455 HydrophobicContact CD1-CG2 4.18Å; F357-I455 HydrophobicContact CD2-CG1 4.26Å; F357-I455 HydrophobicContact CD2-CG2 3.54Å; F357-I455 HydrophobicContact CE1-CD1 3.41Å; F357-I455 VanDerWaalsContact CE1-CD1 3.41Å; F357-I455 HydrophobicContact CE1-CG1 3.59Å; F357-I455 HydrophobicContact CE2-CG1 4.05Å; F357-I455 HydrophobicContact CE2-CG2 4.02Å; F357-I455 HydrophobicContact CG-CD1 4.04Å; F357-I455 HydrophobicContact CG-CG1 4.15Å; F357-I455 HydrophobicContact CG-CG2 3.62Å; F357-I455 HydrophobicContact CZ-CD1 4.06Å; F357-I455 HydrophobicContact CZ-CG1 3.69Å; F357-I455 HydrophobicContact CZ-CG2 4.49Å; Y362-I455 HydrophobicContact CD2-CD1 3.45Å; Y362-I455 VanDerWaalsContact CD2-CD1 3.45Å; Y362-I455 HydrophobicContact CE2-CD1 3.66Å; I378-I455 HydrophobicContact CG2-CD1 3.95Å; M436-I455 WeakPolarHBondContact CA-O 3.35Å; I437-I455 HydrophobicContact CB-CG1 4.33Å; I437-I455 PolarHBondContact N-O 2.84Å; I437-I455 WeakPolarHBondContact O-CG1 3.38Å; I437-I455 PolarHBondContact O-N 2.65Å; I455-V457 HydrophobicContact CD1-CG2 3.99Å
456	P	96.9	Very high	84.4	Confident	52 Å²	52	57.3 Å²	57.3	34%	0.338	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.5	166.9	30.9	-29.8	0	0	0	111.1	T360 T361 Y362 L435 M436	T360-P456 WeakPolarHBondContact O-CD 3.34Å; T361-P456 VanDerWaalsContact CA-O 3.3Å; T361-P456 WeakPolarHBondContact CA-O 3.37Å; T361-P456 WeakPolarHBondContact CB-O 3.24Å; T361-P456 PolarHBondContact OG1-O 3.4Å; Y362-P456 PolarHBondContact N-O 3.48Å; L435-P456 WeakPolarHBondContact O-CA 3.2Å; M436-P456 HydrophobicContact SD-CB 3.83Å
457	V	97.1	Very high	84.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.2	170.3	-175.8	0	0	0	0	109	Y362 L376 I378 L419 L435 I437 I455 V459	Y362-V457 WeakPolarHBondContact O-CA 3.46Å; L376-V457 HydrophobicContact CD2-CG1 3.78Å; I378-V457 HydrophobicContact CD1-CG2 4.19Å; L419-V457 HydrophobicContact CD2-CG1 4.32Å; L435-V457 HydrophobicContact CB-CB 4.34Å; L435-V457 PolarHBondContact N-O 2.86Å; L435-V457 PolarHBondContact O-N 2.92Å; I437-V457 HydrophobicContact CD1-CB 4.4Å; I437-V457 HydrophobicContact CD1-CG2 3.85Å; I437-V457 HydrophobicContact CG1-CG2 4.2Å; I455-V457 HydrophobicContact CD1-CG2 3.99Å; V457-V459 HydrophobicContact CG1-CG2 4.25Å
458	D	95.6	Very high	85.6	Confident	46 Å²	46	51.9 Å²	51.9	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	110.3	174.9	-79	-25.2	0	0	0	109	Y362 K363 A364 K434	Y362-D458 PolarHBondContact O-N 3Å; K363-D458 WeakPolarHBondContact CA-O 3.49Å; K363-D458 HydrophobicContact CG-CB 4.29Å; A364-D458 PolarHBondContact N-O 2.78Å; A364-D458 VanDerWaalsContact N-O 3.09Å; K434-D458 WeakPolarHBondContact CG-OD1 3.24Å; K434-D458 IonicContact NZ-OD1 2.69Å; K434-D458 PolarHBondContact NZ-OD1 2.98Å; K434-D458 IonicContact NZ-OD2 2.96Å
459	V	95.4	Very high	87.1	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.1	173.6	-175.4	0	0	0	0	108.9	A364 V366 F406 T432 V433 L435 V457	A364-V459 WeakPolarHBondContact O-CA 3.49Å; V366-V459 HydrophobicContact CG1-CG1 3.77Å; F406-V459 HydrophobicContact CE1-CB 4.48Å; F406-V459 HydrophobicContact CE1-CG1 4.14Å; F406-V459 HydrophobicContact CE1-CG2 4.09Å; F406-V459 HydrophobicContact CZ-CB 4.39Å; F406-V459 HydrophobicContact CZ-CG1 4.19Å; F406-V459 HydrophobicContact CZ-CG2 4.34Å; T432-V459 CarbonylContact C-O 3.57Å; T432-V459 WeakPolarHBondContact CA-O 3.29Å; V433-V459 HydrophobicContact CB-CB 4.44Å; V433-V459 PolarHBondContact N-O 3.03Å; V433-V459 PolarHBondContact O-N 3.38Å; L435-V459 HydrophobicContact CD1-CG2 4.05Å; L435-V459 HydrophobicContact CG-CG2 4.44Å; V457-V459 HydrophobicContact CG1-CG2 4.25Å
460	S	94.1	Very high	88.8	Confident	45 Å²	45	45 Å²	45	32%	0.315	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.8	169.4	42.6	0	0	0	0	111.1	A364 T365 V366	A364-S460 PolarHBondContact O-N 3.3Å; A364-S460 PolarHBondContact O-OG 3.39Å; T365-S460 WeakPolarHBondContact CA-O 3.35Å; T365-S460 PolarHBondContact OG1-OG 3.2Å; T365-S460 VanDerWaalsContact OG1-OG 3.11Å; V366-S460 PolarHBondContact N-O 2.84Å; V366-S460 VanDerWaalsContact N-O 3.16Å
461	V	93.9	Very high	90.2	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.048	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	133.9	173.3	-173.1	0	0	0	0	109.1	V366 E368 L425 Y427 G430 K431	V366-V461 CarbonylContact O-C 3.51Å; V366-V461 WeakPolarHBondContact O-CA 3.42Å; E368-V461 HydrophobicContact CB-CG1 3.81Å; L425-V461 HydrophobicContact CB-CG1 4.2Å; L425-V461 HydrophobicContact CB-CG2 4.08Å; L425-V461 HydrophobicContact CD1-CG2 3.93Å; Y427-V461 HydrophobicContact CD2-CB 4.27Å; Y427-V461 HydrophobicContact CD2-CG1 4.41Å; Y427-V461 WeakPolarHBondContact CD2-O 2.99Å; G430-V461 VanDerWaalsContact O-CG2 3.3Å; G430-V461 WeakPolarHBondContact O-CG2 3.22Å; K431-V461 PolarHBondContact O-N 3.21Å
462	G	91.2	Very high	91	Very high	18 Å²	18	46.1 Å²	46.1	19%	0.186	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.7	175.9	0	0	0	0	0	112.4	V366 E368	V366-G462 PolarHBondContact O-N 3.15Å; E368-G462 PolarHBondContact N-O 3.31Å
463	D	90.1	Very high	91.3	Very high	83 Å²	83	46 Å²	46	44%	0.444	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-50.5	121.4	168.5	-164.8	-35.6	0	0	0	112.6	E368 Y427	E368-D463 WeakPolarHBondContact OE1-CA 3.19Å; Y427-D463 HydrophobicContact CD1-CB 3.84Å; Y427-D463 HydrophobicContact CD2-CB 4.43Å; Y427-D463 HydrophobicContact CE1-CB 3.43Å; Y427-D463 VanDerWaalsContact CE1-CB 3.43Å; Y427-D463 WeakPolarHBondContact CE1-OD2 3.37Å; Y427-D463 HydrophobicContact CE2-CB 4.1Å; Y427-D463 HydrophobicContact CG-CB 4.32Å; Y427-D463 VanDerWaalsContact CZ-OD2 3.24Å; Y427-D463 PolarHBondContact OH-OD2 3.25Å
464	E	87.1	Confident	91.6	Very high	92 Å²	92	46.9 Å²	46.9	43%	0.43	28%	0.275	S	S	.	.			trans	-139.3	59.6	-179.9	-73.5	-78.6	124.5	0	0	114.8	K367 E368 E466	K367-E464 HydrophobicContact CB-CG 4.02Å; K367-E464 HydrophobicContact CD-CG 3.83Å; K367-E464 WeakPolarHBondContact CE-OE1 3.24Å; K367-E464 HydrophobicContact CG-CG 4.06Å; K367-E464 IonicContact NZ-OE1 2.69Å; K367-E464 PolarHBondContact NZ-OE1 2.63Å; K367-E464 IonicContact NZ-OE2 2.82Å; K367-E464 PolarHBondContact NZ-OE2 3.11Å; E368-E464 HydrophobicContact CG-CB 4.23Å; E368-E464 PolarHBondContact OE1-N 3.1Å; E464-E466 PolarHBondContact O-N 2.82Å
465	D	86.1	Confident	91.6	Very high	70 Å²	70	45.8 Å²	45.8	37%	0.374	26%	0.264	S	S	.	.			trans	24.7	84	160.4	-178.1	80.9	0	0	0	113.8	S554 K556	D465-S554 PolarHBondContact OD2-OG 2.82Å; D465-K556 PolarHBondContact O-NZ 2.75Å; D465-K556 IonicContact OD2-NZ 2.69Å; D465-K556 PolarHBondContact OD2-NZ 3.29Å
466	E	86.4	Confident	91.5	Very high	63 Å²	63	50.2 Å²	50.2	29%	0.294	29%	0.291	S	S	.	.			trans	-75	-163.4	-178.8	-65.5	-149.9	111.2	0	0	111.9	N369 E464 P497 E498 K556	N369-E466 PolarHBondContact ND2-OE1 3Å; E464-E466 PolarHBondContact O-N 2.82Å; E466-P497 HydrophobicContact CB-CG 4Å; E466-E498 WeakPolarHBondContact CB-OE1 3.41Å; E466-E498 PolarHBondContact N-OE1 2.88Å; E466-K556 WeakPolarHBondContact O-CB 3.4Å; E466-K556 VanDerWaalsContact O-CG 3.27Å; E466-K556 WeakPolarHBondContact O-CG 3.21Å
467	G	87.5	Confident	91.4	Very high	20 Å²	20	48.4 Å²	48.4	21%	0.206	28%	0.279	C	S	.	.			trans	-119.1	164.9	164.9	0	0	0	0	0	110.2	E469	G467-E469 PolarHBondContact O-N 2.81Å
468	P	92.6	Very high	91.2	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-67.7	122.2	-163	-24.2	35.8	0	0	0	113	A494 L495 I505 A550 D552 G558	P468-A494 HydrophobicContact CB-CB 3.65Å; P468-L495 CarbonylContact C-O 3.55Å; P468-L495 WeakPolarHBondContact CA-O 3.42Å; P468-I505 HydrophobicContact CB-CD1 3.67Å; P468-I505 HydrophobicContact CB-CG1 4.33Å; P468-I505 HydrophobicContact CG-CD1 3.96Å; P468-I505 HydrophobicContact CG-CG1 4.07Å; P468-I505 HydrophobicContact CG-CG2 4.41Å; P468-A550 HydrophobicContact CB-CB 4.02Å; P468-A550 HydrophobicContact CG-CB 4.38Å; P468-D552 WeakPolarHBondContact CD-OD2 3.3Å; P468-D552 HydrophobicContact CG-CB 3.86Å; P468-G558 WeakPolarHBondContact O-CA 3.22Å
469	E	91.3	Very high	91.2	Very high	68 Å²	68	54.5 Å²	54.5	32%	0.318	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	140.3	179.5	66.9	173	150.1	0	0	111.1	G467 A494 L495 P497 K500	G467-E469 PolarHBondContact O-N 2.81Å; E469-A494 CarbonylContact O-C 3.21Å; E469-A494 WeakPolarHBondContact O-CA 3.24Å; E469-A494 WeakPolarHBondContact O-CB 3.11Å; E469-L495 WeakPolarHBondContact CG-O 3.35Å; E469-L495 PolarHBondContact N-O 2.87Å; E469-L495 PolarHBondContact O-N 3.34Å; E469-P497 HydrophobicContact CB-CG 4.42Å; E469-P497 HydrophobicContact CG-CG 4.17Å; E469-K500 IonicContact OE1-NZ 2.65Å; E469-K500 PolarHBondContact OE1-NZ 3.27Å
470	F	91.4	Very high	91	Very high	9 Å²	9	59.1 Å²	59.1	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	123.2	167.2	-72.3	-93.7	0	0	0	108.9	P472 P473 Y492 A494 Y507 I548 A550 G560	F470-P472 CarbonylContact C-O 3.58Å; F470-P472 CarbonylContact O-C 3.52Å; F470-P473 VanDerWaalsContact O-CA 3.23Å; F470-P473 WeakPolarHBondContact O-CA 3.34Å; F470-Y492 HydrophobicContact CB-CE1 4.44Å; F470-Y492 HydrophobicContact CB-CE2 4.12Å; F470-Y492 WeakPolarHBondContact CB-OH 3.49Å; F470-Y492 AromaticContact CD1-CD1 3.72Å; F470-Y492 HydrophobicContact CD1-CD1 3.72Å; F470-Y492 HydrophobicContact CD1-CD2 4.02Å; F470-Y492 AromaticContact CD1-CE1 3.45Å; F470-Y492 HydrophobicContact CD1-CE1 3.45Å; F470-Y492 VanDerWaalsContact CD1-CE1 3.45Å; F470-Y492 AromaticContact CD1-CE2 3.74Å; F470-Y492 HydrophobicContact CD1-CE2 3.74Å; F470-Y492 HydrophobicContact CD1-CG 4.02Å; F470-Y492 AromaticContact CD1-CZ 3.46Å; F470-Y492 VanDerWaalsContact CD1-CZ 3.46Å; F470-Y492 AromaticContact CE1-CD1 3.7Å; F470-Y492 HydrophobicContact CE1-CD1 3.7Å; F470-Y492 AromaticContact CE1-CE1 3.77Å; F470-Y492 HydrophobicContact CE1-CE1 3.77Å; F470-Y492 HydrophobicContact CE1-CG 4.16Å; F470-Y492 HydrophobicContact CG-CE1 4.05Å; F470-Y492 HydrophobicContact CG-CE2 4.34Å; F470-Y492 AromaticContact CG-CZ 3.84Å; F470-A494 HydrophobicContact CD1-CB 4Å; F470-A494 HydrophobicContact CD2-CB 4.04Å; F470-A494 HydrophobicContact CE1-CB 3.97Å; F470-A494 HydrophobicContact CE2-CB 4.01Å; F470-A494 HydrophobicContact CG-CB 4.06Å; F470-A494 HydrophobicContact CZ-CB 3.99Å; F470-Y507 HydrophobicContact CE1-CD1 4.23Å; F470-Y507 AromaticContact CE1-CE1 3.99Å; F470-Y507 HydrophobicContact CE1-CE1 3.99Å; F470-Y507 HydrophobicContact CZ-CD1 4.07Å; F470-Y507 HydrophobicContact CZ-CE1 4.07Å; F470-I548 HydrophobicContact CZ-CG2 4.09Å; F470-A550 HydrophobicContact CE2-CB 3.61Å; F470-A550 HydrophobicContact CZ-CB 3.71Å; F470-G560 VanDerWaalsContact CD2-N 3.31Å
471	T	86.2	Confident	90.8	Very high	98 Å²	98	57.2 Å²	57.2	60%	0.601	31%	0.305	S	S	*	.	S	Bend	trans	-120.9	102.6	179.4	-49.5	0	0	0	0	109.2
472	P	90.1	Very high	90.6	Very high	75 Å²	75	61 Å²	61	49%	0.487	33%	0.325	S	S	.	.	S	Bend	cis	-77.6	155.6	3.7	33.2	-36.8	0	0	0	114.1	F470 N474 Y492	F470-P472 CarbonylContact C-O 3.58Å; F470-P472 CarbonylContact O-C 3.52Å; P472-N474 PolarHBondContact O-N 3.42Å; P472-Y492 WeakPolarHBondContact O-CE2 3.32Å; P472-Y492 PolarHBondContact O-OH 3.47Å
473	P	89.5	Confident	90.7	Very high	76 Å²	76	61.2 Å²	61.2	49%	0.494	32%	0.323	S	S	.	.	S	Bend	trans	-74.9	-13.5	-178.3	29.8	-36.8	0	0	0	113.8	F470 Y492 N561	F470-P473 VanDerWaalsContact O-CA 3.23Å; F470-P473 WeakPolarHBondContact O-CA 3.34Å; P473-Y492 VanDerWaalsContact C-OH 3.29Å; P473-Y492 PolarHBondContact O-OH 3.1Å; P473-N561 PolarHBondContact O-N 2.88Å
474	N	93.1	Very high	90.7	Very high	92 Å²	92	61.4 Å²	61.4	49%	0.492	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.7	170	-51.9	-73.1	0	0	0	108.1	P472 N561	P472-N474 PolarHBondContact O-N 3.42Å; N474-N561 CarbonylContact C-O 3.55Å; N474-N561 WeakPolarHBondContact CA-O 3.14Å; N474-N561 WeakPolarHBondContact OD1-CB 3.45Å; N474-N561 PolarHBondContact OD1-ND2 2.9Å
475	M	92.9	Very high	90.9	Very high	36 Å²	36	61.6 Å²	61.6	18%	0.177	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.7	176.1	-172.1	177.8	-168.7	0	0	110.1	I477 S490 Y492 N561 I562 T563	M475-I477 HydrophobicContact CE-CD1 4.32Å; M475-I477 HydrophobicContact CE-CG1 4.29Å; M475-I477 HydrophobicContact CG-CG1 4.18Å; M475-I477 HydrophobicContact SD-CD1 4.12Å; M475-I477 HydrophobicContact SD-CG1 4.31Å; M475-S490 VanDerWaalsContact CE-OG 3.28Å; M475-S490 WeakPolarHBondContact CE-OG 3.25Å; M475-Y492 HydrophobicContact CB-CD2 4.1Å; M475-Y492 HydrophobicContact CB-CE1 4.49Å; M475-Y492 HydrophobicContact CB-CE2 3.83Å; M475-Y492 HydrophobicContact CG-CD2 4.39Å; M475-Y492 HydrophobicContact SD-CD2 3.53Å; M475-Y492 VanDerWaalsContact SD-CD2 3.53Å; M475-Y492 HydrophobicContact SD-CE2 4.23Å; M475-Y492 HydrophobicContact SD-CG 3.76Å; M475-N561 PolarHBondContact N-O 2.92Å; M475-I562 HydrophobicContact CB-CG1 4.29Å; M475-I562 CarbonylContact O-C 3.56Å; M475-I562 WeakPolarHBondContact O-CA 3.07Å; M475-T563 PolarHBondContact O-N 2.94Å
476	V	94.1	Very high	91	Very high	103 Å²	103	60.1 Å²	60.1	62%	0.624	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	128	175.2	-175.4	0	0	0	0	109.2	T563	V476-T563 WeakPolarHBondContact CA-O 3.35Å
477	I	93.5	Very high	91.3	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.067	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.1	-178.1	-59.1	178.6	0	0	0	108.3	M475 L489 L526 I562 T563 L564 L565	M475-I477 HydrophobicContact CE-CD1 4.32Å; M475-I477 HydrophobicContact CE-CG1 4.29Å; M475-I477 HydrophobicContact CG-CG1 4.18Å; M475-I477 HydrophobicContact SD-CD1 4.12Å; M475-I477 HydrophobicContact SD-CG1 4.31Å; I477-L489 HydrophobicContact CG2-CB 4.16Å; I477-L489 HydrophobicContact CG2-CD1 4.46Å; I477-L526 HydrophobicContact CD1-CD1 3.49Å; I477-L526 VanDerWaalsContact CD1-CD1 3.49Å; I477-I562 HydrophobicContact CD1-CG2 3.87Å; I477-I562 HydrophobicContact CG1-CG2 4.25Å; I477-T563 PolarHBondContact N-O 3.29Å; I477-L564 HydrophobicContact CB-CD2 3.97Å; I477-L564 HydrophobicContact CD1-CD2 4.46Å; I477-L564 HydrophobicContact CG2-CD2 4.29Å; I477-L564 CarbonylContact O-C 3.58Å; I477-L564 WeakPolarHBondContact O-CA 3.25Å; I477-L565 PolarHBondContact O-N 2.83Å
478	R	93.9	Very high	91.6	Very high	166 Å²	166	62.4 Å²	62.4	63%	0.626	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	132.4	169.7	-74.5	173	172.6	-89.9	-6.5	109.5	L565 E567	R478-L565 WeakPolarHBondContact CA-O 3.22Å; R478-L565 HydrophobicContact CG-CB 4.37Å; R478-L565 HydrophobicContact CG-CD2 4.24Å; R478-E567 IonicContact CZ-OE1 3.18Å; R478-E567 IonicContact NH1-OE1 2.91Å; R478-E567 PolarHBondContact NH1-OE1 2.8Å
479	V	94.1	Very high	91.6	Very high	8 Å²	8	64.3 Å²	64.3	5%	0.048	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	141.9	179.6	64.1	0	0	0	0	108.6	T483 L489 I532 L564 L565 I566 E567	V479-T483 HydrophobicContact CG2-CG2 4.45Å; V479-L489 HydrophobicContact CB-CD1 4.33Å; V479-L489 HydrophobicContact CB-CD2 4.34Å; V479-L489 HydrophobicContact CG2-CD1 4.04Å; V479-L489 HydrophobicContact CG2-CD2 3.63Å; V479-I532 HydrophobicContact CG1-CD1 4.18Å; V479-I532 HydrophobicContact CG1-CG2 4.47Å; V479-I532 HydrophobicContact CG2-CD1 3.84Å; V479-L564 HydrophobicContact CG1-CB 4.16Å; V479-L564 HydrophobicContact CG1-CD1 4.35Å; V479-L565 PolarHBondContact N-O 2.97Å; V479-L565 VanDerWaalsContact N-O 3.14Å; V479-I566 HydrophobicContact CG1-CG1 4.23Å; V479-I566 CarbonylContact O-C 3.49Å; V479-I566 WeakPolarHBondContact O-CA 3.2Å; V479-E567 PolarHBondContact O-N 2.95Å
480	K	91.1	Very high	91.6	Very high	99 Å²	99	63.1 Å²	63.1	43%	0.43	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	144.7	170.9	-72.1	-179.2	170.7	-78.4	0	109.3	T483 E567 V569	K480-T483 WeakPolarHBondContact O-CB 3.19Å; K480-T483 PolarHBondContact O-OG1 2.98Å; K480-E567 WeakPolarHBondContact CA-O 3.32Å; K480-E567 HydrophobicContact CG-CB 3.87Å; K480-E567 IonicContact NZ-OE2 3.66Å; K480-V569 HydrophobicContact CB-CG2 3.89Å; K480-V569 HydrophobicContact CD-CG2 4.2Å; K480-V569 HydrophobicContact CG-CG2 4.19Å
481	E	91.2	Very high	91.6	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.019	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	168.3	166.3	73	-165.3	125.8	0	0	111.6	T483 I532 L534 I566 E567 D568 V569	E481-T483 PolarHBondContact O-N 2.92Å; E481-I532 WeakPolarHBondContact CB-O 3.47Å; E481-L534 WeakPolarHBondContact OE2-CB 3.28Å; E481-L534 PolarHBondContact OE2-N 2.6Å; E481-I566 HydrophobicContact CB-CG2 3.98Å; E481-E567 PolarHBondContact N-O 2.82Å; E481-D568 VanDerWaalsContact OE1-CA 3.25Å; E481-D568 WeakPolarHBondContact OE1-CA 3.09Å; E481-V569 HydrophobicContact CG-CB 3.85Å; E481-V569 HydrophobicContact CG-CG2 4.15Å; E481-V569 PolarHBondContact OE1-N 2.99Å
482	N	89.2	Confident	91.9	Very high	87 Å²	87	61.9 Å²	61.9	47%	0.465	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	13.6	-171.5	-75.1	-72.5	0	0	0	114.5	I532 D571	N482-I532 PolarHBondContact N-O 3.43Å; N482-D571 PolarHBondContact ND2-OD2 3.06Å
483	T	92.6	Very high	92	Very high	23 Å²	23	61.1 Å²	61.1	14%	0.141	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-60.2	128.1	173	-71.4	0	0	0	0	109.7	V479 K480 E481 T487 V528	V479-T483 HydrophobicContact CG2-CG2 4.45Å; K480-T483 WeakPolarHBondContact O-CB 3.19Å; K480-T483 PolarHBondContact O-OG1 2.98Å; E481-T483 PolarHBondContact O-N 2.92Å; T483-T487 HydrophobicContact CG2-CG2 3.82Å; T483-V528 HydrophobicContact CG2-CG2 3.85Å
484	P	91.4	Very high	92.1	Very high	88 Å²	88	57.5 Å²	57.5	57%	0.571	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-68.5	141.5	-171.1	24.4	-33.3	0	0	0	113.2	T487	P484-T487 VanDerWaalsContact O-CB 3.27Å; P484-T487 WeakPolarHBondContact O-CB 3.49Å; P484-T487 PolarHBondContact O-N 2.84Å; P484-T487 PolarHBondContact O-OG1 3.49Å
485	N	91.3	Very high	92	Very high	95 Å²	95	56.2 Å²	56.2	51%	0.508	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	141.8	-179.9	-48.8	36.4	0	0	0	111.3	V528 A529	N485-V528 CarbonylContact C-O 3.53Å; N485-V528 WeakPolarHBondContact CA-O 3.42Å; N485-A529 PolarHBondContact ND2-O 3.3Å
486	G	88.5	Confident	91.9	Very high	40 Å²	40	55.9 Å²	55.9	41%	0.412	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	-15.5	-173.9	0	0	0	0	0	114.6	L488 R527 V528	G486-L488 PolarHBondContact O-N 3.42Å; G486-R527 PolarHBondContact O-NH1 3.05Å; G486-V528 PolarHBondContact N-O 3Å
487	T	92.5	Very high	91.6	Very high	52 Å²	52	51 Å²	51	32%	0.319	28%	0.28	S	S	.	.			trans	-57.8	127.3	176.5	-61	0	0	0	0	111	T483 P484 L489 R527 V528	T483-T487 HydrophobicContact CG2-CG2 3.82Å; P484-T487 VanDerWaalsContact O-CB 3.27Å; P484-T487 WeakPolarHBondContact O-CB 3.49Å; P484-T487 PolarHBondContact O-N 2.84Å; P484-T487 PolarHBondContact O-OG1 3.49Å; T487-L489 HydrophobicContact CG2-CD2 4.33Å; T487-R527 VanDerWaalsContact O-CA 3.25Å; T487-R527 WeakPolarHBondContact O-CA 3.33Å; T487-V528 PolarHBondContact O-N 2.85Å
488	L	93	Very high	91.3	Very high	78 Å²	78	53 Å²	53	41%	0.408	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	119.6	173.7	178.5	67.2	0	0	0	109.3	G486 E525 R527	G486-L488 PolarHBondContact O-N 3.42Å; L488-E525 HydrophobicContact CD1-CB 3.71Å; L488-E525 HydrophobicContact CD1-CG 3.8Å; L488-R527 HydrophobicContact CB-CG 4.4Å; L488-R527 HydrophobicContact CD1-CG 4.01Å
489	L	92.4	Very high	90.8	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.215	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-48.5	178.5	-59	-175.6	0	0	0	111.7	I477 V479 T487 I517 L526 V528 L564	I477-L489 HydrophobicContact CG2-CB 4.16Å; I477-L489 HydrophobicContact CG2-CD1 4.46Å; V479-L489 HydrophobicContact CB-CD1 4.33Å; V479-L489 HydrophobicContact CB-CD2 4.34Å; V479-L489 HydrophobicContact CG2-CD1 4.04Å; V479-L489 HydrophobicContact CG2-CD2 3.63Å; T487-L489 HydrophobicContact CG2-CD2 4.33Å; L489-I517 HydrophobicContact CD1-CD1 3.57Å; L489-L526 PolarHBondContact N-O 2.97Å; L489-V528 HydrophobicContact CD1-CG2 4.06Å; L489-V528 HydrophobicContact CD2-CG2 3.88Å; L489-V528 HydrophobicContact CG-CG2 3.98Å; L489-L564 HydrophobicContact CD1-CD2 4.41Å
490	S	91.4	Very high	90.4	Very high	42 Å²	42	54 Å²	54	29%	0.294	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	-176	179.7	-145.4	0	0	0	0	111.4	M475 L526	M475-S490 VanDerWaalsContact CE-OG 3.28Å; M475-S490 WeakPolarHBondContact CE-OG 3.25Å; S490-L526 WeakPolarHBondContact O-CB 3.42Å; S490-L526 PolarHBondContact O-N 2.94Å
491	T	92	Very high	90.2	Very high	72 Å²	72	51.5 Å²	51.5	44%	0.442	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.7	173.1	-54.8	0	0	0	0	108.8	T493 T523 G524	T491-T493 HydrophobicContact CG2-CG2 4.17Å; T491-T523 WeakPolarHBondContact CG2-O 3.24Å; T491-G524 WeakPolarHBondContact CA-O 3.29Å
492	Y	92.3	Very high	89.9	Confident	9 Å²	9	54.1 Å²	54.1	4%	0.035	32%	0.318	C	S	.	.			trans	-124.5	97.9	-178.5	-170.6	-138.9	0	0	0	110.1	F470 P472 P473 M475 G524 I562	F470-Y492 HydrophobicContact CB-CE1 4.44Å; F470-Y492 HydrophobicContact CB-CE2 4.12Å; F470-Y492 WeakPolarHBondContact CB-OH 3.49Å; F470-Y492 AromaticContact CD1-CD1 3.72Å; F470-Y492 HydrophobicContact CD1-CD1 3.72Å; F470-Y492 HydrophobicContact CD1-CD2 4.02Å; F470-Y492 AromaticContact CD1-CE1 3.45Å; F470-Y492 HydrophobicContact CD1-CE1 3.45Å; F470-Y492 VanDerWaalsContact CD1-CE1 3.45Å; F470-Y492 AromaticContact CD1-CE2 3.74Å; F470-Y492 HydrophobicContact CD1-CE2 3.74Å; F470-Y492 HydrophobicContact CD1-CG 4.02Å; F470-Y492 AromaticContact CD1-CZ 3.46Å; F470-Y492 VanDerWaalsContact CD1-CZ 3.46Å; F470-Y492 AromaticContact CE1-CD1 3.7Å; F470-Y492 HydrophobicContact CE1-CD1 3.7Å; F470-Y492 AromaticContact CE1-CE1 3.77Å; F470-Y492 HydrophobicContact CE1-CE1 3.77Å; F470-Y492 HydrophobicContact CE1-CG 4.16Å; F470-Y492 HydrophobicContact CG-CE1 4.05Å; F470-Y492 HydrophobicContact CG-CE2 4.34Å; F470-Y492 AromaticContact CG-CZ 3.84Å; P472-Y492 WeakPolarHBondContact O-CE2 3.32Å; P472-Y492 PolarHBondContact O-OH 3.47Å; P473-Y492 VanDerWaalsContact C-OH 3.29Å; P473-Y492 PolarHBondContact O-OH 3.1Å; M475-Y492 HydrophobicContact CB-CD2 4.1Å; M475-Y492 HydrophobicContact CB-CE1 4.49Å; M475-Y492 HydrophobicContact CB-CE2 3.83Å; M475-Y492 HydrophobicContact CG-CD2 4.39Å; M475-Y492 HydrophobicContact SD-CD2 3.53Å; M475-Y492 VanDerWaalsContact SD-CD2 3.53Å; M475-Y492 HydrophobicContact SD-CE2 4.23Å; M475-Y492 HydrophobicContact SD-CG 3.76Å; Y492-G524 PolarHBondContact N-O 3.04Å; Y492-I562 HydrophobicContact CD1-CD1 3.85Å; Y492-I562 HydrophobicContact CD1-CG1 3.82Å; Y492-I562 HydrophobicContact CE1-CD1 4.4Å; Y492-I562 HydrophobicContact CE1-CG1 3.96Å
493	T	91.4	Very high	89.7	Confident	60 Å²	60	58.5 Å²	58.5	37%	0.368	33%	0.333	S	S	.	.			trans	-100.2	145.7	-179.6	50.6	0	0	0	0	111.7	T491 Y507	T491-T493 HydrophobicContact CG2-CG2 4.17Å; T493-Y507 WeakPolarHBondContact CA-OH 3.48Å
494	A	91.8	Very high	89.4	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	163.8	163.5	0	0	0	0	0	110.3	P468 E469 F470 S502 I505 Y507 A550	P468-A494 HydrophobicContact CB-CB 3.65Å; E469-A494 CarbonylContact O-C 3.21Å; E469-A494 WeakPolarHBondContact O-CA 3.24Å; E469-A494 WeakPolarHBondContact O-CB 3.11Å; F470-A494 HydrophobicContact CD1-CB 4Å; F470-A494 HydrophobicContact CD2-CB 4.04Å; F470-A494 HydrophobicContact CE1-CB 3.97Å; F470-A494 HydrophobicContact CE2-CB 4.01Å; F470-A494 HydrophobicContact CG-CB 4.06Å; F470-A494 HydrophobicContact CZ-CB 3.99Å; A494-S502 WeakPolarHBondContact O-CB 3.17Å; A494-I505 HydrophobicContact CB-CD1 4.27Å; A494-I505 WeakPolarHBondContact O-CD1 3.48Å; A494-Y507 HydrophobicContact CB-CE1 4.07Å; A494-Y507 PolarHBondContact N-OH 2.83Å; A494-Y507 PolarHBondContact O-OH 2.82Å; A494-A550 HydrophobicContact CB-CB 3.61Å
495	L	91.3	Very high	89.5	Confident	64 Å²	64	54.9 Å²	54.9	34%	0.335	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.6	168.3	-65.7	172.7	0	0	0	108.6	P468 E469 P497 S501	P468-L495 CarbonylContact C-O 3.55Å; P468-L495 WeakPolarHBondContact CA-O 3.42Å; E469-L495 WeakPolarHBondContact CG-O 3.35Å; E469-L495 PolarHBondContact N-O 2.87Å; E469-L495 PolarHBondContact O-N 3.34Å; L495-P497 WeakPolarHBondContact O-CD 3.46Å; L495-S501 WeakPolarHBondContact CA-O 3.46Å
496	D	90.5	Very high	89.5	Confident	30 Å²	30	54.4 Å²	54.4	16%	0.16	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-64.6	120.7	166.7	164	-65.5	0	0	0	108.1	E498 T499 K500 S501 I505	D496-E498 VanDerWaalsContact C-N 3.31Å; D496-E498 PolarHBondContact O-N 2.82Å; D496-E498 PolarHBondContact OD1-N 3.12Å; D496-T499 WeakPolarHBondContact OD1-CA 3.4Å; D496-T499 WeakPolarHBondContact OD1-CB 3.38Å; D496-T499 VanDerWaalsContact OD1-CG2 3.26Å; D496-T499 WeakPolarHBondContact OD1-CG2 3.21Å; D496-T499 PolarHBondContact OD1-N 3.14Å; D496-T499 PolarHBondContact OD1-OG1 3Å; D496-K500 WeakPolarHBondContact O-CA 3.35Å; D496-K500 PolarHBondContact O-N 2.93Å; D496-S501 WeakPolarHBondContact CB-O 3.36Å; D496-S501 PolarHBondContact N-O 2.89Å; D496-I505 HydrophobicContact CB-CD1 4.44Å
497	P	87.6	Confident	89.8	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-32.8	-171.5	-29.3	38.3	0	0	0	114.7	E428 E466 E469 L495 K500	E428-P497 HydrophobicContact CG-CB 4.42Å; E428-P497 VanDerWaalsContact CG-O 3.27Å; E428-P497 WeakPolarHBondContact CG-O 3.37Å; E466-P497 HydrophobicContact CB-CG 4Å; E469-P497 HydrophobicContact CB-CG 4.42Å; E469-P497 HydrophobicContact CG-CG 4.17Å; L495-P497 WeakPolarHBondContact O-CD 3.46Å; P497-K500 VanDerWaalsContact CA-NZ 3.32Å; P497-K500 WeakPolarHBondContact O-CD 3.48Å; P497-K500 WeakPolarHBondContact O-CE 3.42Å; P497-K500 PolarHBondContact O-NZ 3.17Å
498	E	87	Confident	89.8	Confident	54 Å²	54	54.9 Å²	54.9	25%	0.252	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-43.9	-171.1	-60.6	67.9	-152.3	0	0	110.9	E466 D496	E466-E498 WeakPolarHBondContact CB-OE1 3.41Å; E466-E498 PolarHBondContact N-OE1 2.88Å; D496-E498 VanDerWaalsContact C-N 3.31Å; D496-E498 PolarHBondContact O-N 2.82Å; D496-E498 PolarHBondContact OD1-N 3.12Å
499	T	84.9	Confident	89.8	Confident	92 Å²	92	54 Å²	54	56%	0.564	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-14.9	177.5	70.1	0	0	0	0	113.1	D496 S501	D496-T499 WeakPolarHBondContact OD1-CA 3.4Å; D496-T499 WeakPolarHBondContact OD1-CB 3.38Å; D496-T499 VanDerWaalsContact OD1-CG2 3.26Å; D496-T499 WeakPolarHBondContact OD1-CG2 3.21Å; D496-T499 PolarHBondContact OD1-N 3.14Å; D496-T499 PolarHBondContact OD1-OG1 3Å; T499-S501 PolarHBondContact O-N 2.74Å; T499-S501 VanDerWaalsContact OG1-CB 3.26Å; T499-S501 WeakPolarHBondContact OG1-CB 3.15Å; T499-S501 PolarHBondContact OG1-N 3.22Å
500	K	85.4	Confident	89.8	Confident	103 Å²	103	58.2 Å²	58.2	45%	0.448	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	40	-167.8	-61.6	-58.5	-177	-151.7	0	112.4	E469 D496 P497	E469-K500 IonicContact OE1-NZ 2.65Å; E469-K500 PolarHBondContact OE1-NZ 3.27Å; D496-K500 WeakPolarHBondContact O-CA 3.35Å; D496-K500 PolarHBondContact O-N 2.93Å; P497-K500 VanDerWaalsContact CA-NZ 3.32Å; P497-K500 WeakPolarHBondContact O-CD 3.48Å; P497-K500 WeakPolarHBondContact O-CE 3.42Å; P497-K500 PolarHBondContact O-NZ 3.17Å
501	S	86.5	Confident	89.9	Confident	46 Å²	46	61.5 Å²	61.5	32%	0.322	32%	0.316	S	S	.	.	B	Isolated β-bridge	trans	-123.3	154.3	-175.7	-152.9	0	0	0	0	112.8	L495 D496 T499	L495-S501 WeakPolarHBondContact CA-O 3.46Å; D496-S501 WeakPolarHBondContact CB-O 3.36Å; D496-S501 PolarHBondContact N-O 2.89Å; T499-S501 PolarHBondContact O-N 2.74Å; T499-S501 VanDerWaalsContact OG1-CB 3.26Å; T499-S501 WeakPolarHBondContact OG1-CB 3.15Å; T499-S501 PolarHBondContact OG1-N 3.22Å
502	S	85.8	Confident	89.9	Confident	59 Å²	59	58.9 Å²	58.9	41%	0.413	30%	0.299	S	S	.	.			trans	-98.8	3.1	169.8	57.9	0	0	0	0	113.4	A494	A494-S502 WeakPolarHBondContact O-CB 3.17Å
503	K	84.8	Confident	89.9	Confident	180 Å²	180	61.5 Å²	61.5	78%	0.783	32%	0.317	S	S	*	.	S	Bend	trans	-80.4	129.9	-172.8	-173.6	-167.6	173.1	-157.9	0	111.1	I505	K503-I505 VanDerWaalsContact C-N 3.27Å
504	G	86	Confident	89.7	Confident	28 Å²	28	59.3 Å²	59.3	29%	0.289	31%	0.307	S	S	.	.	S	Bend	trans	92	-21.5	-178.8	0	0	0	0	0	113.4	E553	G504-E553 WeakPolarHBondContact CA-OE1 3.41Å
505	I	92.2	Very high	89.8	Confident	7 Å²	7	63 Å²	63	4%	0.036	33%	0.333	C	S	.	.			trans	-62.5	137.1	176.1	-54.6	177.5	0	0	0	111.2	P468 A494 D496 K503 Y507 A550 V551	P468-I505 HydrophobicContact CB-CD1 3.67Å; P468-I505 HydrophobicContact CB-CG1 4.33Å; P468-I505 HydrophobicContact CG-CD1 3.96Å; P468-I505 HydrophobicContact CG-CG1 4.07Å; P468-I505 HydrophobicContact CG-CG2 4.41Å; A494-I505 HydrophobicContact CB-CD1 4.27Å; A494-I505 WeakPolarHBondContact O-CD1 3.48Å; D496-I505 HydrophobicContact CB-CD1 4.44Å; K503-I505 VanDerWaalsContact C-N 3.27Å; I505-Y507 HydrophobicContact CB-CE2 4.39Å; I505-Y507 HydrophobicContact CG2-CE1 3.96Å; I505-Y507 HydrophobicContact CG2-CE2 3.97Å; I505-A550 HydrophobicContact CG2-CB 3.81Å; I505-V551 CarbonylContact C-O 3.6Å; I505-V551 WeakPolarHBondContact CA-O 3.48Å
506	K	92.7	Very high	89.8	Confident	85 Å²	85	60.3 Å²	60.3	37%	0.37	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	143	170.7	-65.2	-172.2	166.1	-149.2	0	112.1	Y508 E521 A550 V551	K506-Y508 HydrophobicContact CB-CE2 3.66Å; K506-Y508 VanDerWaalsContact CD-OH 3.3Å; K506-Y508 WeakPolarHBondContact CD-OH 3.46Å; K506-E521 CarbonylContact C-O 3.57Å; K506-E521 WeakPolarHBondContact CA-O 3.27Å; K506-E521 HydrophobicContact CB-CG 4.35Å; K506-E521 HydrophobicContact CD-CG 4.37Å; K506-E521 WeakPolarHBondContact CD-OE1 3.17Å; K506-E521 WeakPolarHBondContact CE-OE1 3.25Å; K506-E521 HydrophobicContact CG-CG 4.45Å; K506-E521 IonicContact NZ-OE1 3.53Å; K506-E521 PolarHBondContact NZ-OE1 3.41Å; K506-A550 CarbonylContact O-C 3.54Å; K506-A550 WeakPolarHBondContact O-CA 3.16Å; K506-V551 PolarHBondContact N-O 3.27Å; K506-V551 PolarHBondContact O-N 3.41Å
507	Y	93.8	Very high	90	Very high	6 Å²	6	59.2 Å²	59.2	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.2	-175.1	-59.2	-84.6	0	0	0	111.6	F470 T493 A494 I505 V519 E521 A550	F470-Y507 HydrophobicContact CE1-CD1 4.23Å; F470-Y507 AromaticContact CE1-CE1 3.99Å; F470-Y507 HydrophobicContact CE1-CE1 3.99Å; F470-Y507 HydrophobicContact CZ-CD1 4.07Å; F470-Y507 HydrophobicContact CZ-CE1 4.07Å; T493-Y507 WeakPolarHBondContact CA-OH 3.48Å; A494-Y507 HydrophobicContact CB-CE1 4.07Å; A494-Y507 PolarHBondContact N-OH 2.83Å; A494-Y507 PolarHBondContact O-OH 2.82Å; I505-Y507 HydrophobicContact CB-CE2 4.39Å; I505-Y507 HydrophobicContact CG2-CE1 3.96Å; I505-Y507 HydrophobicContact CG2-CE2 3.97Å; Y507-V519 HydrophobicContact CG-CG2 4.5Å; Y507-E521 PolarHBondContact N-O 2.85Å; Y507-A550 HydrophobicContact CD1-CB 4.32Å; Y507-A550 HydrophobicContact CE1-CB 4.17Å
508	Y	92.5	Very high	90.2	Very high	95 Å²	95	61.5 Å²	61.5	37%	0.373	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.9	-178.1	-57	-80.9	0	0	0	111	K506 K510 E521 K549 V551	K506-Y508 HydrophobicContact CB-CE2 3.66Å; K506-Y508 VanDerWaalsContact CD-OH 3.3Å; K506-Y508 WeakPolarHBondContact CD-OH 3.46Å; Y508-K510 PolarHBondContact O-N 2.85Å; Y508-E521 HydrophobicContact CE1-CG 4.39Å; Y508-K549 PolarHBondContact N-O 3Å; Y508-K549 PolarHBondContact O-N 2.76Å; Y508-V551 HydrophobicContact CD2-CB 4.47Å; Y508-V551 HydrophobicContact CD2-CG2 3.84Å; Y508-V551 HydrophobicContact CE2-CB 4.09Å; Y508-V551 HydrophobicContact CE2-CG2 3.86Å
509	T	93.4	Very high	90.5	Very high	60 Å²	60	60 Å²	60	37%	0.368	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.3	168.8	-52.1	0	0	0	0	109.3	D512	T509-D512 HydrophobicContact CG2-CB 3.41Å; T509-D512 VanDerWaalsContact CG2-CB 3.41Å
510	K	92.5	Very high	90.9	Very high	129 Å²	129	56.7 Å²	56.7	56%	0.561	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	-36.3	179.1	-177.9	-174.4	177.3	-171.5	0	111.9	Y508 T547 K549 N559	Y508-K510 PolarHBondContact O-N 2.85Å; K510-T547 WeakPolarHBondContact CA-O 3.48Å; K510-T547 HydrophobicContact CB-CG2 4.42Å; K510-T547 WeakPolarHBondContact CB-O 3.5Å; K510-T547 HydrophobicContact CD-CG2 4.05Å; K510-T547 PolarHBondContact N-O 2.81Å; K510-K549 HydrophobicContact CB-CB 4.19Å; K510-N559 VanDerWaalsContact CD-OD1 3.22Å; K510-N559 WeakPolarHBondContact CD-OD1 3.19Å; K510-N559 WeakPolarHBondContact CE-OD1 3.15Å; K510-N559 PolarHBondContact NZ-OD1 2.75Å
511	F	93.1	Very high	91.1	Very high	111 Å²	111	55.9 Å²	55.9	49%	0.487	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	117.7	177.5	-177.3	-101.8	0	0	0	109.6	P513 I546 T547	F511-P513 HydrophobicContact CE1-CG 4.05Å; F511-P513 HydrophobicContact CZ-CB 4.27Å; F511-P513 HydrophobicContact CZ-CG 4.03Å; F511-I546 CarbonylContact O-C 3.6Å; F511-I546 WeakPolarHBondContact O-CA 3.07Å; F511-I546 WeakPolarHBondContact O-CG2 3.25Å; F511-T547 PolarHBondContact N-O 2.85Å; F511-T547 PolarHBondContact O-N 3.25Å
512	D	93.1	Very high	91.2	Very high	17 Å²	17	58.8 Å²	58.8	9%	0.091	32%	0.323	C	S	.	.			trans	-154.3	87.9	176	179.7	2.5	0	0	0	107.3	T509 G514 S515 W516 I517 Y544 I546	T509-D512 HydrophobicContact CG2-CB 3.41Å; T509-D512 VanDerWaalsContact CG2-CB 3.41Å; D512-G514 VanDerWaalsContact C-N 3.32Å; D512-G514 PolarHBondContact O-N 3.08Å; D512-S515 PolarHBondContact O-N 2.85Å; D512-S515 PolarHBondContact OD1-N 3.02Å; D512-S515 WeakPolarHBondContact OD2-CA 3.44Å; D512-W516 PolarHBondContact OD1-N 3.29Å; D512-W516 VanDerWaalsContact OD1-N 3.12Å; D512-W516 PolarHBondContact OD2-N 2.96Å; D512-I517 PolarHBondContact OD2-N 3.45Å; D512-Y544 WeakPolarHBondContact OD1-CE1 3.47Å; D512-Y544 PolarHBondContact OD1-OH 2.91Å; D512-I546 HydrophobicContact CB-CG2 4.29Å
513	P	90.8	Very high	91.4	Very high	64 Å²	64	58.8 Å²	58.8	42%	0.416	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.4	-164.7	22.1	-32.8	0	0	0	114.8	F511 L538 Y544	F511-P513 HydrophobicContact CE1-CG 4.05Å; F511-P513 HydrophobicContact CZ-CB 4.27Å; F511-P513 HydrophobicContact CZ-CG 4.03Å; P513-L538 HydrophobicContact CB-CD1 4.41Å; P513-L538 HydrophobicContact CB-CD2 4.32Å; P513-Y544 VanDerWaalsContact CD-OH 3.25Å; P513-Y544 WeakPolarHBondContact CD-OH 3.02Å; P513-Y544 HydrophobicContact CG-CE2 3.9Å
514	G	88.6	Confident	91.6	Very high	14 Å²	14	50.2 Å²	50.2	14%	0.144	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-4.9	172.9	0	0	0	0	0	114.4	D512 W516 N530 Y544	D512-G514 VanDerWaalsContact C-N 3.32Å; D512-G514 PolarHBondContact O-N 3.08Å; G514-W516 VanDerWaalsContact C-N 3.26Å; G514-W516 PolarHBondContact O-N 3.34Å; G514-N530 PolarHBondContact O-ND2 2.92Å; G514-Y544 WeakPolarHBondContact CA-OH 3.45Å; G514-Y544 PolarHBondContact N-OH 3.25Å
515	S	92.4	Very high	91.9	Very high	78 Å²	78	51.5 Å²	51.5	55%	0.545	28%	0.282	S	S	.	.			trans	52.4	43.4	-172.6	-60.3	0	0	0	0	112.6	D512 N530	D512-S515 PolarHBondContact O-N 2.85Å; D512-S515 PolarHBondContact OD1-N 3.02Å; D512-S515 WeakPolarHBondContact OD2-CA 3.44Å; S515-N530 WeakPolarHBondContact O-CB 3.48Å
516	W	92.9	Very high	92	Very high	8 Å²	8	51.2 Å²	51.2	3%	0.03	28%	0.281	C	S	.	.			trans	-80.6	-25.3	-173.8	-69.8	-12.2	0	0	0	113.3	D512 G514 A529 T531 I532 D533 V539 Y544 I566	D512-W516 PolarHBondContact OD1-N 3.29Å; D512-W516 VanDerWaalsContact OD1-N 3.12Å; D512-W516 PolarHBondContact OD2-N 2.96Å; G514-W516 VanDerWaalsContact C-N 3.26Å; G514-W516 PolarHBondContact O-N 3.34Å; W516-A529 PolarHBondContact O-N 3.15Å; W516-T531 PolarHBondContact NE1-O 2.74Å; W516-I532 HydrophobicContact CB-CG1 4.1Å; W516-I532 HydrophobicContact CD2-CG1 4.35Å; W516-I532 HydrophobicContact CE3-CG1 4.37Å; W516-I532 HydrophobicContact CE3-CG2 4.32Å; W516-I532 HydrophobicContact CG-CG1 4.27Å; W516-I532 HydrophobicContact CZ3-CG2 4.41Å; W516-D533 HydrophobicContact CH2-CB 4.47Å; W516-D533 WeakPolarHBondContact CH2-O 3.41Å; W516-D533 HydrophobicContact CZ2-CB 4.07Å; W516-V539 HydrophobicContact CH2-CG2 3.62Å; W516-V539 HydrophobicContact CZ3-CG2 3.88Å; W516-Y544 HydrophobicContact CB-CE1 4.34Å; W516-Y544 HydrophobicContact CD2-CE1 4.16Å; W516-Y544 HydrophobicContact CD2-CE2 4.14Å; W516-Y544 AromaticContact CD2-CZ 3.89Å; W516-Y544 AromaticContact CE3-CD1 3.6Å; W516-Y544 HydrophobicContact CE3-CD1 3.6Å; W516-Y544 AromaticContact CE3-CD2 3.63Å; W516-Y544 HydrophobicContact CE3-CD2 3.63Å; W516-Y544 AromaticContact CE3-CE1 3.54Å; W516-Y544 HydrophobicContact CE3-CE1 3.54Å; W516-Y544 AromaticContact CE3-CE2 3.57Å; W516-Y544 HydrophobicContact CE3-CE2 3.57Å; W516-Y544 AromaticContact CE3-CG 3.63Å; W516-Y544 HydrophobicContact CE3-CG 3.63Å; W516-Y544 AromaticContact CE3-CZ 3.52Å; W516-Y544 HydrophobicContact CH2-CD2 4.03Å; W516-Y544 HydrophobicContact CH2-CE2 4.14Å; W516-Y544 AromaticContact CZ3-CD1 3.99Å; W516-Y544 HydrophobicContact CZ3-CD1 3.99Å; W516-Y544 AromaticContact CZ3-CD2 3.28Å; W516-Y544 HydrophobicContact CZ3-CD2 3.28Å; W516-Y544 HydrophobicContact CZ3-CE1 4.23Å; W516-Y544 AromaticContact CZ3-CE2 3.57Å; W516-Y544 HydrophobicContact CZ3-CE2 3.57Å; W516-Y544 AromaticContact CZ3-CG 3.49Å; W516-Y544 HydrophobicContact CZ3-CG 3.49Å; W516-Y544 VanDerWaalsContact CZ3-CG 3.49Å; W516-I566 HydrophobicContact CH2-CD1 4.44Å; W516-I566 HydrophobicContact CZ3-CD1 3.73Å
517	I	93.8	Very high	92	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.036	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	120.6	-175.4	-58.2	-61.6	0	0	0	112	L489 D512 L526 R527 V528 I532 I546 L564	L489-I517 HydrophobicContact CD1-CD1 3.57Å; D512-I517 PolarHBondContact OD2-N 3.45Å; I517-L526 HydrophobicContact CG2-CB 4.11Å; I517-L526 HydrophobicContact CG2-CD2 4.2Å; I517-R527 WeakPolarHBondContact CA-O 2.99Å; I517-V528 HydrophobicContact CD1-CG2 4.5Å; I517-I532 HydrophobicContact CD1-CD1 4.34Å; I517-I546 HydrophobicContact CB-CD1 3.9Å; I517-I546 HydrophobicContact CG1-CD1 3.44Å; I517-I546 VanDerWaalsContact CG1-CD1 3.44Å; I517-L564 HydrophobicContact CD1-CD1 4.06Å; I517-L564 HydrophobicContact CG1-CD1 3.91Å
518	A	92	Very high	92	Very high	48 Å²	48	51.7 Å²	51.7	40%	0.397	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.6	164.7	0	0	0	0	0	109.9	R527 A529	A518-R527 PolarHBondContact N-O 2.66Å; A518-R527 PolarHBondContact O-N 3.16Å; A518-A529 HydrophobicContact CB-CB 3.94Å
519	V	94.2	Very high	92	Very high	24 Å²	24	49.2 Å²	49.2	15%	0.145	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.7	168.7	66.3	0	0	0	0	110.9	Y507 E521 E525 L526 I548	Y507-V519 HydrophobicContact CG-CG2 4.5Å; V519-E521 PolarHBondContact O-N 3.01Å; V519-E525 CarbonylContact C-O 3.57Å; V519-E525 WeakPolarHBondContact CA-O 3.43Å; V519-L526 HydrophobicContact CB-CD2 4.35Å; V519-L526 HydrophobicContact CG2-CD2 4.11Å; V519-I548 HydrophobicContact CB-CD1 4.02Å; V519-I548 HydrophobicContact CG2-CD1 4Å
520	G	92.3	Very high	91.9	Very high	22 Å²	22	49.7 Å²	49.7	23%	0.227	28%	0.28	C	S	.	.			trans	-73.1	114.4	173.7	0	0	0	0	0	111.8	T522 T523 G524 E525	G520-T522 PolarHBondContact O-N 2.81Å; G520-T523 PolarHBondContact O-N 3.46Å; G520-T523 VanDerWaalsContact O-N 3.08Å; G520-G524 PolarHBondContact O-N 3.35Å; G520-E525 PolarHBondContact N-O 3.11Å
521	E	90.5	Very high	91.8	Very high	86 Å²	86	47.2 Å²	47.2	40%	0.402	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-39.1	-171.1	-172.2	-173.5	164.9	0	0	113.9	K506 Y507 Y508 V519	K506-E521 CarbonylContact C-O 3.57Å; K506-E521 WeakPolarHBondContact CA-O 3.27Å; K506-E521 HydrophobicContact CB-CG 4.35Å; K506-E521 HydrophobicContact CD-CG 4.37Å; K506-E521 WeakPolarHBondContact CD-OE1 3.17Å; K506-E521 WeakPolarHBondContact CE-OE1 3.25Å; K506-E521 HydrophobicContact CG-CG 4.45Å; K506-E521 IonicContact NZ-OE1 3.53Å; K506-E521 PolarHBondContact NZ-OE1 3.41Å; Y507-E521 PolarHBondContact N-O 2.85Å; Y508-E521 HydrophobicContact CE1-CG 4.39Å; V519-E521 PolarHBondContact O-N 3.01Å
522	T	88.5	Confident	91.8	Very high	106 Å²	106	42 Å²	42	65%	0.65	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	-1.9	-176.9	54.9	0	0	0	0	114.6	G520	G520-T522 PolarHBondContact O-N 2.81Å
523	T	88.6	Confident	91.7	Very high	60 Å²	60	44 Å²	44	37%	0.368	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-20.6	-173.9	59.2	0	0	0	0	114	T491 G520 E525	T491-T523 WeakPolarHBondContact CG2-O 3.24Å; G520-T523 PolarHBondContact O-N 3.46Å; G520-T523 VanDerWaalsContact O-N 3.08Å; T523-E525 PolarHBondContact O-N 2.74Å; T523-E525 PolarHBondContact OG1-N 3.31Å
524	G	88.9	Confident	91.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.247	C	C	.	.			trans	67.2	11.1	-171.4	0	0	0	0	0	113.7	T491 Y492 G520	T491-G524 WeakPolarHBondContact CA-O 3.29Å; Y492-G524 PolarHBondContact N-O 3.04Å; G520-G524 PolarHBondContact O-N 3.35Å
525	E	93.3	Very high	91.8	Very high	55 Å²	55	43.5 Å²	43.5	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	132.4	175	-78	-177.4	-157.7	0	0	110.9	L488 V519 G520 T523 R527	L488-E525 HydrophobicContact CD1-CB 3.71Å; L488-E525 HydrophobicContact CD1-CG 3.8Å; V519-E525 CarbonylContact C-O 3.57Å; V519-E525 WeakPolarHBondContact CA-O 3.43Å; G520-E525 PolarHBondContact N-O 3.11Å; T523-E525 PolarHBondContact O-N 2.74Å; T523-E525 PolarHBondContact OG1-N 3.31Å; E525-R527 IonicContact OE2-CZ 2.75Å; E525-R527 IonicContact OE2-NE 3.69Å; E525-R527 PolarHBondContact OE2-NE 2.67Å; E525-R527 IonicContact OE2-NH2 3.69Å; E525-R527 PolarHBondContact OE2-NH2 2.98Å
526	L	93.9	Very high	91.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.4	178.8	-56	176	0	0	0	109.5	I477 L489 S490 I517 V519 I548 I562	I477-L526 HydrophobicContact CD1-CD1 3.49Å; I477-L526 VanDerWaalsContact CD1-CD1 3.49Å; L489-L526 PolarHBondContact N-O 2.97Å; S490-L526 WeakPolarHBondContact O-CB 3.42Å; S490-L526 PolarHBondContact O-N 2.94Å; I517-L526 HydrophobicContact CG2-CB 4.11Å; I517-L526 HydrophobicContact CG2-CD2 4.2Å; V519-L526 HydrophobicContact CB-CD2 4.35Å; V519-L526 HydrophobicContact CG2-CD2 4.11Å; L526-I548 HydrophobicContact CD2-CD1 3.4Å; L526-I562 HydrophobicContact CD1-CD1 3.54Å; L526-I562 HydrophobicContact CD1-CG1 4.34Å; L526-I562 HydrophobicContact CD2-CD1 3.78Å; L526-I562 HydrophobicContact CG-CD1 4.33Å
527	R	93.4	Very high	91.5	Very high	97 Å²	97	46.3 Å²	46.3	37%	0.366	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.9	-175.8	-69.1	176.1	176.2	-91	1.1	111.8	G486 T487 L488 I517 A518 E525 A529	G486-R527 PolarHBondContact O-NH1 3.05Å; T487-R527 VanDerWaalsContact O-CA 3.25Å; T487-R527 WeakPolarHBondContact O-CA 3.33Å; L488-R527 HydrophobicContact CB-CG 4.4Å; L488-R527 HydrophobicContact CD1-CG 4.01Å; I517-R527 WeakPolarHBondContact CA-O 2.99Å; A518-R527 PolarHBondContact N-O 2.66Å; A518-R527 PolarHBondContact O-N 3.16Å; E525-R527 IonicContact OE2-CZ 2.75Å; E525-R527 IonicContact OE2-NE 3.69Å; E525-R527 PolarHBondContact OE2-NE 2.67Å; E525-R527 IonicContact OE2-NH2 3.69Å; E525-R527 PolarHBondContact OE2-NH2 2.98Å; R527-A529 PolarHBondContact O-N 2.94Å
528	V	94.4	Very high	91.3	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	119.1	174.3	-176.8	0	0	0	0	109.3	T483 N485 G486 T487 L489 I517 N530 I532	T483-V528 HydrophobicContact CG2-CG2 3.85Å; N485-V528 CarbonylContact C-O 3.53Å; N485-V528 WeakPolarHBondContact CA-O 3.42Å; G486-V528 PolarHBondContact N-O 3Å; T487-V528 PolarHBondContact O-N 2.85Å; L489-V528 HydrophobicContact CD1-CG2 4.06Å; L489-V528 HydrophobicContact CD2-CG2 3.88Å; L489-V528 HydrophobicContact CG-CG2 3.98Å; I517-V528 HydrophobicContact CD1-CG2 4.5Å; V528-N530 VanDerWaalsContact CG1-O 3.24Å; V528-N530 WeakPolarHBondContact CG1-O 3.45Å; V528-I532 HydrophobicContact CG1-CD1 4.07Å; V528-I532 HydrophobicContact CG1-CG1 4.31Å; V528-I532 HydrophobicContact CG2-CD1 3.92Å
529	A	91.6	Very high	91.3	Very high	44 Å²	44	48 Å²	48	36%	0.364	27%	0.273	S	S	.	.			trans	-100	-35.5	-177.8	0	0	0	0	0	112.5	N485 W516 A518 R527	N485-A529 PolarHBondContact ND2-O 3.3Å; W516-A529 PolarHBondContact O-N 3.15Å; A518-A529 HydrophobicContact CB-CB 3.94Å; R527-A529 PolarHBondContact O-N 2.94Å
530	N	90.8	Very high	90.9	Very high	69 Å²	69	51.2 Å²	51.2	37%	0.369	29%	0.293	S	S	.	.	S	Bend	trans	-139.9	170.2	-175.1	-167.9	23.8	0	0	0	109.8	G514 S515 V528 I532	G514-N530 PolarHBondContact O-ND2 2.92Å; S515-N530 WeakPolarHBondContact O-CB 3.48Å; V528-N530 VanDerWaalsContact CG1-O 3.24Å; V528-N530 WeakPolarHBondContact CG1-O 3.45Å; N530-I532 PolarHBondContact O-N 3.49Å
531	T	90.4	Very high	90.6	Very high	78 Å²	78	58.3 Å²	58.3	48%	0.479	33%	0.326	S	S	.	.			trans	-63	115.6	-178.7	48.7	0	0	0	0	111.8	W516	W516-T531 PolarHBondContact NE1-O 2.74Å
532	I	92.6	Very high	90.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	31%	0.313	C	S	.	.			trans	-79.2	134.3	166.7	-61	169.3	0	0	0	107.5	V479 E481 N482 W516 I517 V528 N530 L564 I566	V479-I532 HydrophobicContact CG1-CD1 4.18Å; V479-I532 HydrophobicContact CG1-CG2 4.47Å; V479-I532 HydrophobicContact CG2-CD1 3.84Å; E481-I532 WeakPolarHBondContact CB-O 3.47Å; N482-I532 PolarHBondContact N-O 3.43Å; W516-I532 HydrophobicContact CB-CG1 4.1Å; W516-I532 HydrophobicContact CD2-CG1 4.35Å; W516-I532 HydrophobicContact CE3-CG1 4.37Å; W516-I532 HydrophobicContact CE3-CG2 4.32Å; W516-I532 HydrophobicContact CG-CG1 4.27Å; W516-I532 HydrophobicContact CZ3-CG2 4.41Å; I517-I532 HydrophobicContact CD1-CD1 4.34Å; V528-I532 HydrophobicContact CG1-CD1 4.07Å; V528-I532 HydrophobicContact CG1-CG1 4.31Å; V528-I532 HydrophobicContact CG2-CD1 3.92Å; N530-I532 PolarHBondContact O-N 3.49Å; I532-L564 HydrophobicContact CD1-CD1 4.43Å; I532-I566 HydrophobicContact CG2-CD1 3.71Å; I532-I566 HydrophobicContact CG2-CG1 3.94Å; I532-I566 HydrophobicContact CG2-CG2 4.21Å
533	D	92	Very high	90.5	Very high	60 Å²	60	51.1 Å²	51.1	32%	0.321	29%	0.293	S	S	.	.			trans	-149.7	116.5	-158	171	60.3	0	0	0	106.4	W516 S536 V539	W516-D533 HydrophobicContact CH2-CB 4.47Å; W516-D533 WeakPolarHBondContact CH2-O 3.41Å; W516-D533 HydrophobicContact CZ2-CB 4.07Å; D533-S536 WeakPolarHBondContact O-CB 3.22Å; D533-S536 WeakPolarHBondContact OD2-CA 3.48Å; D533-S536 WeakPolarHBondContact OD2-CB 3.46Å; D533-S536 PolarHBondContact OD2-N 3.16Å; D533-S536 PolarHBondContact OD2-OG 3.5Å; D533-V539 WeakPolarHBondContact O-CG2 3.37Å
534	L	90.9	Very high	90.7	Very high	12 Å²	12	48.3 Å²	48.3	6%	0.063	28%	0.276	C	S	.	.	S	Bend	trans	-77	-38.5	-172.1	175.5	60	0	0	0	111.9	E481 S536 V539 I566 D568 L604	E481-L534 WeakPolarHBondContact OE2-CB 3.28Å; E481-L534 PolarHBondContact OE2-N 2.6Å; L534-S536 PolarHBondContact O-N 2.79Å; L534-V539 HydrophobicContact CD1-CG1 4.21Å; L534-V539 WeakPolarHBondContact O-CB 3.35Å; L534-V539 WeakPolarHBondContact O-CG2 3.39Å; L534-I566 HydrophobicContact CB-CG2 3.94Å; L534-I566 HydrophobicContact CD1-CB 4.05Å; L534-I566 HydrophobicContact CD1-CG2 4.01Å; L534-I566 HydrophobicContact CG-CG2 4.47Å; L534-D568 HydrophobicContact CD2-CB 3.61Å; L534-L604 HydrophobicContact CD2-CD1 3.91Å; L534-L604 HydrophobicContact CD2-CG 4.03Å
535	E	90.3	Very high	90.9	Very high	54 Å²	54	52 Å²	52	25%	0.252	30%	0.298	S	S	.	.	S	Bend	trans	-75.5	-5.5	-179	-71.9	56	-117.8	0	0	112.3	A602	E535-A602 HydrophobicContact CB-CB 4.36Å; E535-A602 HydrophobicContact CG-CB 3.47Å; E535-A602 VanDerWaalsContact CG-CB 3.47Å; E535-A602 WeakPolarHBondContact CG-O 3.41Å
536	S	90.6	Very high	90.9	Very high	19 Å²	19	49.5 Å²	49.5	13%	0.133	29%	0.286	C	S	.	.	S	Bend	trans	-55.8	134.9	176	-132.6	0	0	0	0	111.6	D533 L534 L538 V539	D533-S536 WeakPolarHBondContact O-CB 3.22Å; D533-S536 WeakPolarHBondContact OD2-CA 3.48Å; D533-S536 WeakPolarHBondContact OD2-CB 3.46Å; D533-S536 PolarHBondContact OD2-N 3.16Å; D533-S536 PolarHBondContact OD2-OG 3.5Å; L534-S536 PolarHBondContact O-N 2.79Å; S536-L538 PolarHBondContact O-N 2.87Å; S536-V539 PolarHBondContact O-N 3.23Å
537	P	88.8	Confident	91	Very high	127 Å²	127	50.7 Å²	50.7	83%	0.825	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	1	175.9	29.8	-36.9	0	0	0	113.9
538	L	89.9	Confident	91	Very high	73 Å²	73	46.1 Å²	46.1	38%	0.382	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-16.6	172.4	-54.3	-178.5	0	0	0	113.2	P513 S536 Y544	P513-L538 HydrophobicContact CB-CD1 4.41Å; P513-L538 HydrophobicContact CB-CD2 4.32Å; S536-L538 PolarHBondContact O-N 2.87Å; L538-Y544 HydrophobicContact CB-CD2 4.22Å; L538-Y544 HydrophobicContact CB-CE2 3.88Å; L538-Y544 HydrophobicContact CD1-CE2 4.43Å
539	V	90.6	Very high	91	Very high	18 Å²	18	49.4 Å²	49.4	11%	0.109	29%	0.291	C	S	.	.			trans	-88.6	139.8	176.6	-168.4	0	0	0	0	109.3	W516 D533 L534 S536 I566	W516-V539 HydrophobicContact CH2-CG2 3.62Å; W516-V539 HydrophobicContact CZ3-CG2 3.88Å; D533-V539 WeakPolarHBondContact O-CG2 3.37Å; L534-V539 HydrophobicContact CD1-CG1 4.21Å; L534-V539 WeakPolarHBondContact O-CB 3.35Å; L534-V539 WeakPolarHBondContact O-CG2 3.39Å; S536-V539 PolarHBondContact O-N 3.23Å; V539-I566 HydrophobicContact CG1-CD1 4.23Å; V539-I566 HydrophobicContact CG2-CD1 3.77Å
540	T	87.3	Confident	91.1	Very high	91 Å²	91	47.3 Å²	47.3	56%	0.558	27%	0.274	S	S	*	.	B	Isolated β-bridge	trans	-129.5	122.8	174.1	58.6	0	0	0	0	110	G542 A543	T540-G542 VanDerWaalsContact C-N 3.25Å; T540-G542 PolarHBondContact O-N 2.9Å; T540-A543 PolarHBondContact N-O 2.9Å; T540-A543 WeakPolarHBondContact O-CA 3.22Å; T540-A543 WeakPolarHBondContact O-CB 3.21Å; T540-A543 PolarHBondContact O-N 3.29Å
541	N	84.9	Confident	91.1	Very high	171 Å²	171	45.3 Å²	45.3	91%	0.914	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	36.4	-176.3	-49.2	-43	0	0	0	114	A543	N541-A543 PolarHBondContact O-N 2.84Å
542	G	85.3	Confident	91.2	Very high	14 Å²	14	42.2 Å²	42.2	14%	0.144	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	4.9	-174.4	0	0	0	0	0	115	T540 I566	T540-G542 VanDerWaalsContact C-N 3.25Å; T540-G542 PolarHBondContact O-N 2.9Å; G542-I566 PolarHBondContact O-N 2.81Å
543	A	91.8	Very high	90.8	Very high	26 Å²	26	49.9 Å²	49.9	22%	0.215	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.9	-179.9	0	0	0	0	0	112	T540 N541 T563 L564	T540-A543 PolarHBondContact N-O 2.9Å; T540-A543 WeakPolarHBondContact O-CA 3.22Å; T540-A543 WeakPolarHBondContact O-CB 3.21Å; T540-A543 PolarHBondContact O-N 3.29Å; N541-A543 PolarHBondContact O-N 2.84Å; A543-T563 HydrophobicContact CB-CG2 3.88Å; A543-L564 WeakPolarHBondContact CA-O 3.22Å
544	Y	93.6	Very high	90.4	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.008	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.1	176.8	178.7	-95.8	0	0	0	110	D512 P513 G514 W516 L538 I546 T563 L564	D512-Y544 WeakPolarHBondContact OD1-CE1 3.47Å; D512-Y544 PolarHBondContact OD1-OH 2.91Å; P513-Y544 VanDerWaalsContact CD-OH 3.25Å; P513-Y544 WeakPolarHBondContact CD-OH 3.02Å; P513-Y544 HydrophobicContact CG-CE2 3.9Å; G514-Y544 WeakPolarHBondContact CA-OH 3.45Å; G514-Y544 PolarHBondContact N-OH 3.25Å; W516-Y544 HydrophobicContact CB-CE1 4.34Å; W516-Y544 HydrophobicContact CD2-CE1 4.16Å; W516-Y544 HydrophobicContact CD2-CE2 4.14Å; W516-Y544 AromaticContact CD2-CZ 3.89Å; W516-Y544 AromaticContact CE3-CD1 3.6Å; W516-Y544 HydrophobicContact CE3-CD1 3.6Å; W516-Y544 AromaticContact CE3-CD2 3.63Å; W516-Y544 HydrophobicContact CE3-CD2 3.63Å; W516-Y544 AromaticContact CE3-CE1 3.54Å; W516-Y544 HydrophobicContact CE3-CE1 3.54Å; W516-Y544 AromaticContact CE3-CE2 3.57Å; W516-Y544 HydrophobicContact CE3-CE2 3.57Å; W516-Y544 AromaticContact CE3-CG 3.63Å; W516-Y544 HydrophobicContact CE3-CG 3.63Å; W516-Y544 AromaticContact CE3-CZ 3.52Å; W516-Y544 HydrophobicContact CH2-CD2 4.03Å; W516-Y544 HydrophobicContact CH2-CE2 4.14Å; W516-Y544 AromaticContact CZ3-CD1 3.99Å; W516-Y544 HydrophobicContact CZ3-CD1 3.99Å; W516-Y544 AromaticContact CZ3-CD2 3.28Å; W516-Y544 HydrophobicContact CZ3-CD2 3.28Å; W516-Y544 HydrophobicContact CZ3-CE1 4.23Å; W516-Y544 AromaticContact CZ3-CE2 3.57Å; W516-Y544 HydrophobicContact CZ3-CE2 3.57Å; W516-Y544 AromaticContact CZ3-CG 3.49Å; W516-Y544 HydrophobicContact CZ3-CG 3.49Å; W516-Y544 VanDerWaalsContact CZ3-CG 3.49Å; L538-Y544 HydrophobicContact CB-CD2 4.22Å; L538-Y544 HydrophobicContact CB-CE2 3.88Å; L538-Y544 HydrophobicContact CD1-CE2 4.43Å; Y544-I546 HydrophobicContact CD1-CD1 3.98Å; Y544-I546 HydrophobicContact CD1-CG1 3.83Å; Y544-I546 HydrophobicContact CE1-CD1 3.77Å; Y544-I546 HydrophobicContact CE1-CG1 3.48Å; Y544-I546 VanDerWaalsContact CE1-CG1 3.48Å; Y544-T563 WeakPolarHBondContact O-CA 3.37Å; Y544-L564 HydrophobicContact CD1-CD1 3.95Å; Y544-L564 HydrophobicContact CD1-CG 4.33Å; Y544-L564 PolarHBondContact N-O 3.08Å; Y544-L564 PolarHBondContact O-N 2.92Å
545	T	93.3	Very high	90.2	Very high	78 Å²	78	59.4 Å²	59.4	48%	0.479	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.3	-169.6	53.8	0	0	0	0	112.9	I562 T563	T545-I562 WeakPolarHBondContact CA-O 3.38Å; T545-T563 HydrophobicContact CG2-CG2 4.46Å
546	I	93.5	Very high	90.1	Very high	1 Å²	1	61 Å²	61	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142	-178.7	-60.8	161.7	0	0	0	108.3	F511 D512 I517 Y544 I548 N561 I562 L564	F511-I546 CarbonylContact O-C 3.6Å; F511-I546 WeakPolarHBondContact O-CA 3.07Å; F511-I546 WeakPolarHBondContact O-CG2 3.25Å; D512-I546 HydrophobicContact CB-CG2 4.29Å; I517-I546 HydrophobicContact CB-CD1 3.9Å; I517-I546 HydrophobicContact CG1-CD1 3.44Å; I517-I546 VanDerWaalsContact CG1-CD1 3.44Å; Y544-I546 HydrophobicContact CD1-CD1 3.98Å; Y544-I546 HydrophobicContact CD1-CG1 3.83Å; Y544-I546 HydrophobicContact CE1-CD1 3.77Å; Y544-I546 HydrophobicContact CE1-CG1 3.48Å; Y544-I546 VanDerWaalsContact CE1-CG1 3.48Å; I546-I548 HydrophobicContact CG2-CG1 4.23Å; I546-N561 CarbonylContact O-C 3.57Å; I546-N561 WeakPolarHBondContact O-CA 3.25Å; I546-I562 HydrophobicContact CB-CB 4.33Å; I546-I562 PolarHBondContact N-O 2.64Å; I546-I562 PolarHBondContact O-N 3.15Å; I546-L564 HydrophobicContact CD1-CD1 3.91Å; I546-L564 HydrophobicContact CD1-CG 4Å
547	T	94.3	Very high	90.1	Very high	27 Å²	27	62.3 Å²	62.3	17%	0.166	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.9	168	-55.3	0	0	0	0	110	K510 F511 N559 N561	K510-T547 WeakPolarHBondContact CA-O 3.48Å; K510-T547 HydrophobicContact CB-CG2 4.42Å; K510-T547 WeakPolarHBondContact CB-O 3.5Å; K510-T547 HydrophobicContact CD-CG2 4.05Å; K510-T547 PolarHBondContact N-O 2.81Å; F511-T547 PolarHBondContact N-O 2.85Å; F511-T547 PolarHBondContact O-N 3.25Å; T547-N559 HydrophobicContact CG2-CB 4.02Å; T547-N561 PolarHBondContact OG1-OD1 2.8Å
548	I	94.1	Very high	90.2	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	145.6	172.4	-63.9	-173.7	0	0	0	109	F470 V519 L526 I546 N559 G560 I562	F470-I548 HydrophobicContact CZ-CG2 4.09Å; V519-I548 HydrophobicContact CB-CD1 4.02Å; V519-I548 HydrophobicContact CG2-CD1 4Å; L526-I548 HydrophobicContact CD2-CD1 3.4Å; I546-I548 HydrophobicContact CG2-CG1 4.23Å; I548-N559 CarbonylContact O-C 3.36Å; I548-N559 VanDerWaalsContact O-CA 3.29Å; I548-N559 WeakPolarHBondContact O-CA 3.27Å; I548-G560 PolarHBondContact N-O 2.85Å; I548-G560 PolarHBondContact O-N 3.42Å; I548-I562 HydrophobicContact CD1-CD1 3.4Å; I548-I562 VanDerWaalsContact CD1-CD1 3.4Å; I548-I562 HydrophobicContact CG1-CD1 4.01Å
549	K	93.8	Very high	90.4	Very high	73 Å²	73	57 Å²	57	32%	0.317	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.7	174.4	-175.3	-174.5	-177.2	-168.3	0	109.2	Y508 K510 V551 S557	Y508-K549 PolarHBondContact N-O 3Å; Y508-K549 PolarHBondContact O-N 2.76Å; K510-K549 HydrophobicContact CB-CB 4.19Å; K549-V551 HydrophobicContact CD-CG2 4.06Å; K549-V551 HydrophobicContact CG-CG2 4.13Å; K549-S557 WeakPolarHBondContact CE-OG 3.14Å
550	A	93.9	Very high	90.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	146.2	165	0	0	0	0	0	109.4	P468 F470 A494 I505 K506 Y507 S557 G558	P468-A550 HydrophobicContact CB-CB 4.02Å; P468-A550 HydrophobicContact CG-CB 4.38Å; F470-A550 HydrophobicContact CE2-CB 3.61Å; F470-A550 HydrophobicContact CZ-CB 3.71Å; A494-A550 HydrophobicContact CB-CB 3.61Å; I505-A550 HydrophobicContact CG2-CB 3.81Å; K506-A550 CarbonylContact O-C 3.54Å; K506-A550 WeakPolarHBondContact O-CA 3.16Å; Y507-A550 HydrophobicContact CD1-CB 4.32Å; Y507-A550 HydrophobicContact CE1-CB 4.17Å; A550-S557 WeakPolarHBondContact O-CA 3.28Å; A550-S557 WeakPolarHBondContact O-CB 3.25Å; A550-G558 PolarHBondContact N-O 2.6Å
551	V	92.4	Very high	90.9	Very high	26 Å²	26	54.8 Å²	54.8	16%	0.158	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	124.9	176.5	-174.8	0	0	0	0	108.6	I505 K506 Y508 K549	I505-V551 CarbonylContact C-O 3.6Å; I505-V551 WeakPolarHBondContact CA-O 3.48Å; K506-V551 PolarHBondContact N-O 3.27Å; K506-V551 PolarHBondContact O-N 3.41Å; Y508-V551 HydrophobicContact CD2-CB 4.47Å; Y508-V551 HydrophobicContact CD2-CG2 3.84Å; Y508-V551 HydrophobicContact CE2-CB 4.09Å; Y508-V551 HydrophobicContact CE2-CG2 3.86Å; K549-V551 HydrophobicContact CD-CG2 4.06Å; K549-V551 HydrophobicContact CG-CG2 4.13Å
552	D	90.6	Very high	91.4	Very high	13 Å²	13	46.7 Å²	46.7	7%	0.07	24%	0.244	C	C	.	.			trans	-83.8	-169.3	177.9	51	66.6	0	0	0	113.5	P468 S554 R555 K556	P468-D552 WeakPolarHBondContact CD-OD2 3.3Å; P468-D552 HydrophobicContact CG-CB 3.86Å; D552-S554 VanDerWaalsContact OD1-CA 3.31Å; D552-S554 WeakPolarHBondContact OD1-CA 3.27Å; D552-S554 PolarHBondContact OD1-N 2.84Å; D552-S554 PolarHBondContact OD1-OG 2.78Å; D552-R555 WeakPolarHBondContact OD1-CA 3.35Å; D552-R555 PolarHBondContact OD1-N 2.84Å; D552-K556 PolarHBondContact OD1-N 3.14Å; D552-K556 VanDerWaalsContact OD2-CA 3.28Å; D552-K556 WeakPolarHBondContact OD2-CA 3.47Å; D552-K556 VanDerWaalsContact OD2-CB 3.24Å; D552-K556 WeakPolarHBondContact OD2-CB 3.48Å; D552-K556 PolarHBondContact OD2-N 2.76Å
553	E	85.1	Confident	91.8	Very high	163 Å²	163	47.9 Å²	47.9	76%	0.762	25%	0.248	S	C	*	.	S	Bend	trans	-80.3	-20.8	174.6	-61.3	-171.2	-177.9	0	0	113.7	G504 R555	G504-E553 WeakPolarHBondContact CA-OE1 3.41Å; E553-R555 VanDerWaalsContact C-N 3.31Å
554	S	83.8	Confident	91.9	Very high	54 Å²	54	46.7 Å²	46.7	38%	0.378	24%	0.238	S	C	.	.	S	Bend	trans	-77.5	-19.6	175.2	85.8	0	0	0	0	112.5	D465 D552 K556	D465-S554 PolarHBondContact OD2-OG 2.82Å; D552-S554 VanDerWaalsContact OD1-CA 3.31Å; D552-S554 WeakPolarHBondContact OD1-CA 3.27Å; D552-S554 PolarHBondContact OD1-N 2.84Å; D552-S554 PolarHBondContact OD1-OG 2.78Å; S554-K556 VanDerWaalsContact OG-CG 3.27Å; S554-K556 WeakPolarHBondContact OG-CG 3.2Å
555	R	85.9	Confident	91.9	Very high	218 Å²	218	49.1 Å²	49.1	82%	0.823	25%	0.251	S	S	*	.	S	Bend	trans	79.7	24.5	-173.4	-53.9	164.6	-70.2	178	-3.4	114.2	D552 E553	D552-R555 WeakPolarHBondContact OD1-CA 3.35Å; D552-R555 PolarHBondContact OD1-N 2.84Å; E553-R555 VanDerWaalsContact C-N 3.31Å
556	K	88.8	Confident	91.9	Very high	87 Å²	87	45.9 Å²	45.9	38%	0.378	23%	0.231	S	C	.	.			trans	-75.7	178.5	163	-62.8	-81.8	179.6	60.5	0	108.9	D465 E466 D552 S554	D465-K556 PolarHBondContact O-NZ 2.75Å; D465-K556 IonicContact OD2-NZ 2.69Å; D465-K556 PolarHBondContact OD2-NZ 3.29Å; E466-K556 WeakPolarHBondContact O-CB 3.4Å; E466-K556 VanDerWaalsContact O-CG 3.27Å; E466-K556 WeakPolarHBondContact O-CG 3.21Å; D552-K556 PolarHBondContact OD1-N 3.14Å; D552-K556 VanDerWaalsContact OD2-CA 3.28Å; D552-K556 WeakPolarHBondContact OD2-CA 3.47Å; D552-K556 VanDerWaalsContact OD2-CB 3.24Å; D552-K556 WeakPolarHBondContact OD2-CB 3.48Å; D552-K556 PolarHBondContact OD2-N 2.76Å; S554-K556 VanDerWaalsContact OG-CG 3.27Å; S554-K556 WeakPolarHBondContact OG-CG 3.2Å
557	S	91.2	Very high	91.7	Very high	46 Å²	46	48.8 Å²	48.8	32%	0.322	24%	0.244	S	C	.	.			trans	-168.9	124.1	-178.2	59.1	0	0	0	0	115.7	K549 A550	K549-S557 WeakPolarHBondContact CE-OG 3.14Å; A550-S557 WeakPolarHBondContact O-CA 3.28Å; A550-S557 WeakPolarHBondContact O-CB 3.25Å
558	G	91.1	Very high	91.5	Very high	15 Å²	15	48.6 Å²	48.6	16%	0.155	24%	0.242	C	C	.	.			trans	-87.2	169.1	162.9	0	0	0	0	0	113.4	P468 A550	P468-G558 WeakPolarHBondContact O-CA 3.22Å; A550-G558 PolarHBondContact N-O 2.6Å
559	N	93.7	Very high	91.3	Very high	74 Å²	74	51.1 Å²	51.1	40%	0.396	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.4	173.8	-47.1	-98.9	0	0	0	108.5	K510 T547 I548	K510-N559 VanDerWaalsContact CD-OD1 3.22Å; K510-N559 WeakPolarHBondContact CD-OD1 3.19Å; K510-N559 WeakPolarHBondContact CE-OD1 3.15Å; K510-N559 PolarHBondContact NZ-OD1 2.75Å; T547-N559 HydrophobicContact CG2-CB 4.02Å; I548-N559 CarbonylContact O-C 3.36Å; I548-N559 VanDerWaalsContact O-CA 3.29Å; I548-N559 WeakPolarHBondContact O-CA 3.27Å
560	G	93.3	Very high	91.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.9	173.6	0	0	0	0	0	109.8	F470 I548	F470-G560 VanDerWaalsContact CD2-N 3.31Å; I548-G560 PolarHBondContact N-O 2.85Å; I548-G560 PolarHBondContact O-N 3.42Å
561	N	94.9	Very high	90.7	Very high	63 Å²	63	51.9 Å²	51.9	34%	0.337	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144.1	178.4	-58.3	-48.5	0	0	0	110.8	P473 N474 M475 I546 T547	P473-N561 PolarHBondContact O-N 2.88Å; N474-N561 CarbonylContact C-O 3.55Å; N474-N561 WeakPolarHBondContact CA-O 3.14Å; N474-N561 WeakPolarHBondContact OD1-CB 3.45Å; N474-N561 PolarHBondContact OD1-ND2 2.9Å; M475-N561 PolarHBondContact N-O 2.92Å; I546-N561 CarbonylContact O-C 3.57Å; I546-N561 WeakPolarHBondContact O-CA 3.25Å; T547-N561 PolarHBondContact OG1-OD1 2.8Å
562	I	94.3	Very high	90.4	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.8	170.4	-63.9	154.2	0	0	0	107.9	M475 I477 Y492 L526 T545 I546 I548 L564	M475-I562 HydrophobicContact CB-CG1 4.29Å; M475-I562 CarbonylContact O-C 3.56Å; M475-I562 WeakPolarHBondContact O-CA 3.07Å; I477-I562 HydrophobicContact CD1-CG2 3.87Å; I477-I562 HydrophobicContact CG1-CG2 4.25Å; Y492-I562 HydrophobicContact CD1-CD1 3.85Å; Y492-I562 HydrophobicContact CD1-CG1 3.82Å; Y492-I562 HydrophobicContact CE1-CD1 4.4Å; Y492-I562 HydrophobicContact CE1-CG1 3.96Å; L526-I562 HydrophobicContact CD1-CD1 3.54Å; L526-I562 HydrophobicContact CD1-CG1 4.34Å; L526-I562 HydrophobicContact CD2-CD1 3.78Å; L526-I562 HydrophobicContact CG-CD1 4.33Å; T545-I562 WeakPolarHBondContact CA-O 3.38Å; I546-I562 HydrophobicContact CB-CB 4.33Å; I546-I562 PolarHBondContact N-O 2.64Å; I546-I562 PolarHBondContact O-N 3.15Å; I548-I562 HydrophobicContact CD1-CD1 3.4Å; I548-I562 VanDerWaalsContact CD1-CD1 3.4Å; I548-I562 HydrophobicContact CG1-CD1 4.01Å; I562-L564 HydrophobicContact CG2-CD2 3.82Å
563	T	94.6	Very high	90.3	Very high	39 Å²	39	55.8 Å²	55.8	24%	0.239	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	110.6	166.5	-53.9	0	0	0	0	108.2	M475 V476 I477 A543 Y544 T545	M475-T563 PolarHBondContact O-N 2.94Å; V476-T563 WeakPolarHBondContact CA-O 3.35Å; I477-T563 PolarHBondContact N-O 3.29Å; A543-T563 HydrophobicContact CB-CG2 3.88Å; Y544-T563 WeakPolarHBondContact O-CA 3.37Å; T545-T563 HydrophobicContact CG2-CG2 4.46Å
564	L	93.6	Very high	90.4	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	123.3	164.1	-53.3	-175.2	0	0	0	107.6	I477 V479 L489 I517 I532 A543 Y544 I546 I562 I566	I477-L564 HydrophobicContact CB-CD2 3.97Å; I477-L564 HydrophobicContact CD1-CD2 4.46Å; I477-L564 HydrophobicContact CG2-CD2 4.29Å; I477-L564 CarbonylContact O-C 3.58Å; I477-L564 WeakPolarHBondContact O-CA 3.25Å; V479-L564 HydrophobicContact CG1-CB 4.16Å; V479-L564 HydrophobicContact CG1-CD1 4.35Å; L489-L564 HydrophobicContact CD1-CD2 4.41Å; I517-L564 HydrophobicContact CD1-CD1 4.06Å; I517-L564 HydrophobicContact CG1-CD1 3.91Å; I532-L564 HydrophobicContact CD1-CD1 4.43Å; A543-L564 WeakPolarHBondContact CA-O 3.22Å; Y544-L564 HydrophobicContact CD1-CD1 3.95Å; Y544-L564 HydrophobicContact CD1-CG 4.33Å; Y544-L564 PolarHBondContact N-O 3.08Å; Y544-L564 PolarHBondContact O-N 2.92Å; I546-L564 HydrophobicContact CD1-CD1 3.91Å; I546-L564 HydrophobicContact CD1-CG 4Å; I562-L564 HydrophobicContact CG2-CD2 3.82Å; L564-I566 HydrophobicContact CB-CG1 4.47Å
565	L	93.6	Very high	90.5	Very high	53 Å²	53	51.4 Å²	51.4	28%	0.277	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	110.5	163.6	176.7	59.6	0	0	0	106.7	I477 R478 V479	I477-L565 PolarHBondContact O-N 2.83Å; R478-L565 WeakPolarHBondContact CA-O 3.22Å; R478-L565 HydrophobicContact CG-CB 4.37Å; R478-L565 HydrophobicContact CG-CD2 4.24Å; V479-L565 PolarHBondContact N-O 2.97Å; V479-L565 VanDerWaalsContact N-O 3.14Å
566	I	92.9	Very high	90.4	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.8	-175	-60.5	169.5	0	0	0	108.5	V479 E481 W516 I532 L534 V539 G542 L564	V479-I566 HydrophobicContact CG1-CG1 4.23Å; V479-I566 CarbonylContact O-C 3.49Å; V479-I566 WeakPolarHBondContact O-CA 3.2Å; E481-I566 HydrophobicContact CB-CG2 3.98Å; W516-I566 HydrophobicContact CH2-CD1 4.44Å; W516-I566 HydrophobicContact CZ3-CD1 3.73Å; I532-I566 HydrophobicContact CG2-CD1 3.71Å; I532-I566 HydrophobicContact CG2-CG1 3.94Å; I532-I566 HydrophobicContact CG2-CG2 4.21Å; L534-I566 HydrophobicContact CB-CG2 3.94Å; L534-I566 HydrophobicContact CD1-CB 4.05Å; L534-I566 HydrophobicContact CD1-CG2 4.01Å; L534-I566 HydrophobicContact CG-CG2 4.47Å; V539-I566 HydrophobicContact CG1-CD1 4.23Å; V539-I566 HydrophobicContact CG2-CD1 3.77Å; G542-I566 PolarHBondContact O-N 2.81Å; L564-I566 HydrophobicContact CB-CG1 4.47Å
567	E	91	Very high	89.9	Confident	62 Å²	62	40.6 Å²	40.6	29%	0.29	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	117.5	175.2	-74.8	-176.5	-174.9	0	0	109.7	R478 V479 K480 E481	R478-E567 IonicContact CZ-OE1 3.18Å; R478-E567 IonicContact NH1-OE1 2.91Å; R478-E567 PolarHBondContact NH1-OE1 2.8Å; V479-E567 PolarHBondContact O-N 2.95Å; K480-E567 WeakPolarHBondContact CA-O 3.32Å; K480-E567 HydrophobicContact CG-CB 3.87Å; K480-E567 IonicContact NZ-OE2 3.66Å; E481-E567 PolarHBondContact N-O 2.82Å
568	D	89.8	Confident	88.7	Confident	23 Å²	23	44.3 Å²	44.3	12%	0.123	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-46	132.8	177.3	-175.4	-10.7	0	0	0	113.4	E481 L534 N570 L604 Y607	E481-D568 VanDerWaalsContact OE1-CA 3.25Å; E481-D568 WeakPolarHBondContact OE1-CA 3.09Å; L534-D568 HydrophobicContact CD2-CB 3.61Å; D568-N570 PolarHBondContact OD1-N 2.82Å; D568-L604 WeakPolarHBondContact OD2-CA 3.48Å; D568-L604 VanDerWaalsContact OD2-CB 3.26Å; D568-L604 WeakPolarHBondContact OD2-CB 3.43Å; D568-L604 PolarHBondContact OD2-N 2.85Å; D568-Y607 HydrophobicContact CB-CD2 4.39Å; D568-Y607 HydrophobicContact CB-CE2 4.4Å; D568-Y607 VanDerWaalsContact CG-CD2 3.45Å; D568-Y607 VanDerWaalsContact OD1-CD2 3.23Å; D568-Y607 WeakPolarHBondContact OD1-CD2 3.43Å; D568-Y607 WeakPolarHBondContact OD2-CD2 3.25Å
569	V	90.1	Very high	87.2	Confident	52 Å²	52	45.8 Å²	45.8	32%	0.315	27%	0.265	S	S	.	.			trans	-139.5	78.4	172.2	-172	0	0	0	0	110	K480 E481 D571	K480-V569 HydrophobicContact CB-CG2 3.89Å; K480-V569 HydrophobicContact CD-CG2 4.2Å; K480-V569 HydrophobicContact CG-CG2 4.19Å; E481-V569 HydrophobicContact CG-CB 3.85Å; E481-V569 HydrophobicContact CG-CG2 4.15Å; E481-V569 PolarHBondContact OE1-N 2.99Å; V569-D571 PolarHBondContact O-N 2.78Å
570	N	87.8	Confident	85.7	Confident	16 Å²	16	48.2 Å²	48.2	9%	0.086	28%	0.283	C	S	.	.			trans	-8.4	98.5	162	177.9	-92.6	0	0	0	115	D568 D603 Y607 D654 Q656 K658	D568-N570 PolarHBondContact OD1-N 2.82Å; N570-D603 VanDerWaalsContact CA-OD2 3.22Å; N570-D603 WeakPolarHBondContact CA-OD2 3.41Å; N570-D603 WeakPolarHBondContact CB-OD2 3.22Å; N570-D603 PolarHBondContact ND2-OD2 2.83Å; N570-Y607 HydrophobicContact CB-CD1 3.98Å; N570-Y607 HydrophobicContact CB-CD2 3.8Å; N570-Y607 HydrophobicContact CB-CE2 4.35Å; N570-Y607 HydrophobicContact CB-CG 3.6Å; N570-D654 PolarHBondContact ND2-OD2 2.83Å; N570-Q656 VanDerWaalsContact CG-NE2 3.29Å; N570-Q656 PolarHBondContact OD1-NE2 2.77Å; N570-K658 PolarHBondContact O-NZ 2.62Å; N570-K658 WeakPolarHBondContact OD1-CD 3.4Å; N570-K658 VanDerWaalsContact OD1-CE 3.27Å; N570-K658 WeakPolarHBondContact OD1-CE 3.19Å; N570-K658 PolarHBondContact OD1-NZ 3.06Å
571	D	85.5	Confident	84.6	Confident	73 Å²	73	53.3 Å²	53.3	39%	0.39	30%	0.303	S	S	.	.			trans	-135.7	-17.1	175	77.3	-11.4	0	0	0	113.1	N482 V569	N482-D571 PolarHBondContact ND2-OD2 3.06Å; V569-D571 PolarHBondContact O-N 2.78Å
572	N	87.9	Confident	83.8	Confident	51 Å²	51	52.1 Å²	52.1	27%	0.273	30%	0.296	S	S	.	.	S	Bend	trans	-71.9	-177.5	164.4	-55.8	-82.4	0	0	0	111.6	D601 A602 D603	N572-D601 VanDerWaalsContact CB-OD1 3.25Å; N572-D601 WeakPolarHBondContact CB-OD1 3.43Å; N572-A602 HydrophobicContact CB-CB 4.26Å; N572-D603 VanDerWaalsContact CB-OD1 3.27Å; N572-D603 WeakPolarHBondContact CB-OD1 3.15Å; N572-D603 PolarHBondContact N-OD1 2.88Å; N572-D603 PolarHBondContact ND2-OD1 3.22Å
573	V	86.9	Confident	83	Confident	70 Å²	70	54.4 Å²	54.4	42%	0.424	31%	0.311	S	S	.	.			trans	-149.9	146.4	178.8	-74.6	0	0	0	0	110.3	M575 D601 K658	V573-M575 PolarHBondContact O-N 2.85Å; V573-D601 VanDerWaalsContact C-CG 3.49Å; V573-D601 VanDerWaalsContact C-OD2 3.25Å; V573-D601 PolarHBondContact N-OD1 2.9Å; V573-K658 HydrophobicContact CG1-CB 4.42Å
574	P	88.7	Confident	82.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	30%	0.299	C	S	.	.			trans	-73.7	119.5	-168.5	26.5	-34.4	0	0	0	111.8	D601 F611 V652 Q662	P574-D601 WeakPolarHBondContact CA-OD2 3.05Å; P574-D601 HydrophobicContact CB-CB 4.14Å; P574-D601 WeakPolarHBondContact CD-OD2 3.22Å; P574-F611 HydrophobicContact CB-CD1 3.51Å; P574-F611 HydrophobicContact CB-CE1 3.52Å; P574-F611 HydrophobicContact CB-CG 4.08Å; P574-F611 HydrophobicContact CB-CZ 4.12Å; P574-F611 HydrophobicContact CG-CD1 4.01Å; P574-F611 HydrophobicContact CG-CE1 4.34Å; P574-V652 HydrophobicContact CB-CG1 4.01Å; P574-V652 HydrophobicContact CG-CB 4.48Å; P574-V652 HydrophobicContact CG-CG1 3.9Å; P574-Q662 PolarHBondContact O-NE2 3.11Å
575	M	85.1	Confident	81.4	Confident	124 Å²	124	54.5 Å²	54.5	61%	0.611	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	138.8	179.6	-66.6	-152.8	-66.3	0	0	112.2	V573 A599 E600 Q662	V573-M575 PolarHBondContact O-N 2.85Å; M575-A599 CarbonylContact O-C 3.42Å; M575-A599 VanDerWaalsContact O-CA 3.3Å; M575-A599 WeakPolarHBondContact O-CA 3.17Å; M575-E600 PolarHBondContact N-O 3.19Å; M575-E600 PolarHBondContact O-N 3.03Å; M575-E600 VanDerWaalsContact O-O 3.12Å; M575-Q662 VanDerWaalsContact CA-OE1 3.3Å
576	I	84.4	Confident	80.5	Confident	11 Å²	11	53.2 Å²	53.2	6%	0.056	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	129	174.2	-56.6	173.6	0	0	0	108.4	I597 E598 A599 V650 V652 L664	I576-I597 HydrophobicContact CD1-CD1 4.27Å; I576-I597 HydrophobicContact CG2-CB 4.35Å; I576-E598 WeakPolarHBondContact CA-O 3.47Å; I576-E598 WeakPolarHBondContact CG2-O 3.48Å; I576-A599 HydrophobicContact CG1-CB 4.49Å; I576-V650 HydrophobicContact CD1-CB 4.17Å; I576-V650 HydrophobicContact CD1-CG1 4.25Å; I576-V652 HydrophobicContact CD1-CG2 3.64Å; I576-V652 HydrophobicContact CG1-CG2 3.79Å; I576-L664 HydrophobicContact CB-CD2 4Å; I576-L664 HydrophobicContact CD1-CD1 4.11Å; I576-L664 HydrophobicContact CD1-CD2 3.77Å; I576-L664 HydrophobicContact CD1-CG 4.21Å; I576-L664 HydrophobicContact CG1-CD2 4.49Å; I576-L664 HydrophobicContact CG2-CD2 3.68Å
577	V	77.8	Confident	79.1	Confident	67 Å²	67	54.1 Å²	54.1	41%	0.406	32%	0.317	S	S	.	.			trans	-56	119.8	-172.5	-175.8	0	0	0	0	110.8	G579 E598 E600	V577-G579 PolarHBondContact O-N 3.3Å; V577-E598 PolarHBondContact N-O 2.83Å; V577-E600 HydrophobicContact CG2-CB 4.35Å; V577-E600 HydrophobicContact CG2-CG 3.68Å
578	P	65.3	Low	77.6	Confident	125 Å²	125	58.6 Å²	58.6	81%	0.812	34%	0.338	S	S	*	.			trans	-79.1	85.6	-164	29.4	-36	0	0	0	113.7
579	G	61.1	Low	76.1	Confident	45 Å²	45	65.3 Å²	65.3	46%	0.464	37%	0.373	S	S	.	.			trans	-75.6	139.1	165.3	0	0	0	0	0	112.6	V577 Y581	V577-G579 PolarHBondContact O-N 3.3Å; G579-Y581 VanDerWaalsContact C-N 3.31Å; G579-Y581 PolarHBondContact O-N 2.9Å
580	T	60.4	Low	74.6	Confident	126 Å²	126	66 Å²	66	77%	0.773	39%	0.391	S	S	*	.	S	Bend	trans	-60.5	-38.6	178.7	49	0	0	0	0	113
581	Y	71.3	Confident	73.5	Confident	107 Å²	107	72 Å²	72	42%	0.42	42%	0.419	S	S	.	.	S	Bend	trans	-146.7	119	164.8	-57	-81.7	0	0	0	109.3	G579 T583 V645 S665	G579-Y581 VanDerWaalsContact C-N 3.31Å; G579-Y581 PolarHBondContact O-N 2.9Å; Y581-T583 PolarHBondContact O-N 2.8Å; Y581-V645 HydrophobicContact CD1-CG1 4.03Å; Y581-V645 HydrophobicContact CD1-CG2 4.01Å; Y581-V645 HydrophobicContact CE1-CG1 3.89Å; Y581-V645 HydrophobicContact CE1-CG2 3.93Å; Y581-S665 CarbonylContact C-O 3.59Å; Y581-S665 WeakPolarHBondContact CA-O 3.44Å
582	L	77.4	Confident	72.8	Confident	37 Å²	37	73.9 Å²	73.9	19%	0.194	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	116.9	166.7	-72.8	170.7	0	0	0	108.1	V595 I597 L664 S665 L666 R667	L582-V595 HydrophobicContact CB-CG2 4.32Å; L582-V595 HydrophobicContact CD2-CG2 4.46Å; L582-I597 HydrophobicContact CD1-CG2 3.98Å; L582-L664 HydrophobicContact CD1-CB 4.44Å; L582-L664 HydrophobicContact CD1-CD1 4.23Å; L582-L664 HydrophobicContact CD1-CD2 4.24Å; L582-S665 PolarHBondContact N-O 3.35Å; L582-L666 HydrophobicContact CB-CD2 3.67Å; L582-L666 HydrophobicContact CD1-CD2 3.88Å; L582-L666 HydrophobicContact CG-CD2 4.42Å; L582-L666 CarbonylContact O-C 3.47Å; L582-L666 VanDerWaalsContact O-CA 3.31Å; L582-L666 WeakPolarHBondContact O-CA 3.41Å; L582-R667 PolarHBondContact O-N 2.81Å
583	T	78.8	Confident	72.2	Confident	50 Å²	50	71.7 Å²	71.7	31%	0.307	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.4	-175.7	-64.5	0	0	0	0	110.2	Y581 C676	Y581-T583 PolarHBondContact O-N 2.8Å; T583-C676 VanDerWaalsContact CG2-SG 3.6Å
584	L	79.3	Confident	72	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.3	178.5	-173.1	151.7	0	0	0	108.6	V595 W623 Q637 R667 V668 C669	L584-V595 HydrophobicContact CD1-CG1 4.33Å; L584-W623 HydrophobicContact CD1-CH2 4.44Å; L584-W623 HydrophobicContact CD1-CZ3 3.76Å; L584-Q637 HydrophobicContact CD1-CB 4.43Å; L584-Q637 HydrophobicContact CD2-CB 4.42Å; L584-R667 PolarHBondContact N-O 2.75Å; L584-V668 HydrophobicContact CD2-CG1 4.33Å; L584-V668 HydrophobicContact CD2-CG2 4.28Å; L584-C669 PolarHBondContact O-N 2.69Å
585	C	74.4	Confident	71.7	Confident	41 Å²	41	72.5 Å²	72.5	28%	0.277	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	116.2	-169.6	-67.1	0	0	0	0	111.9	G593 C671	C585-G593 WeakPolarHBondContact O-CA 3.3Å; C585-C671 WeakPolarHBondContact CA-SG 3.45Å; C585-C671 HydrophobicContact CB-CB 3.58Å; C585-C671 WeakPolarHBondContact CB-SG 3.31Å; C585-C671 WeakPolarHBondContact SG-CB 3.41Å; C585-C671 CovalentContact SG-SG 2.03Å; C585-C671 PolarHBondContact SG-SG 3.04Å
586	E	74.7	Confident	71.7	Confident	26 Å²	26	70.1 Å²	70.1	12%	0.121	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128	168.9	-60.2	178.9	142.5	0	0	109.7	R643 V668 C669	E586-R643 WeakPolarHBondContact OE2-CG 3.33Å; E586-R643 IonicContact OE2-CZ 3.58Å; E586-R643 IonicContact OE2-NE 2.83Å; E586-R643 PolarHBondContact OE2-NE 3.01Å; E586-R643 IonicContact OE2-NH2 3.46Å; E586-R643 PolarHBondContact OE2-NH2 3.32Å; E586-V668 HydrophobicContact CG-CG1 3.92Å; E586-V668 WeakPolarHBondContact OE1-CG1 2.81Å; E586-C669 PolarHBondContact N-O 2.92Å
587	G	64.4	Low	71.8	Confident	29 Å²	29	69.7 Å²	69.7	30%	0.299	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-79.9	154.6	178.9	0	0	0	0	0	113.2	D589 G590 Q591	G587-D589 VanDerWaalsContact C-N 3.27Å; G587-D589 PolarHBondContact O-N 2.79Å; G587-G590 PolarHBondContact O-N 3.2Å; G587-G590 VanDerWaalsContact O-N 3.09Å; G587-Q591 PolarHBondContact N-O 3.34Å; G587-Q591 VanDerWaalsContact N-O 3.14Å
588	E	58.6	Low	72.2	Confident	157 Å²	157	71.1 Å²	71.1	73%	0.734	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.4	-173.1	-57.2	-157.5	123.9	0	0	113.9	G590 Q670	E588-G590 VanDerWaalsContact C-N 3.31Å; E588-G590 PolarHBondContact O-N 2.89Å; E588-Q670 PolarHBondContact OE1-NE2 3.13Å
589	D	57.6	Low	73.2	Confident	163 Å²	163	65.1 Å²	65.1	87%	0.872	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	19.7	175.7	-67.6	-48.9	0	0	0	114	G587	G587-D589 VanDerWaalsContact C-N 3.27Å; G587-D589 PolarHBondContact O-N 2.79Å
590	G	59.4	Low	74.4	Confident	67 Å²	67	68.7 Å²	68.7	69%	0.691	38%	0.382	S	S	*	.			trans	75.7	23.5	179.9	0	0	0	0	0	114.3	G587 E588 M592	G587-G590 PolarHBondContact O-N 3.2Å; G587-G590 VanDerWaalsContact O-N 3.09Å; E588-G590 VanDerWaalsContact C-N 3.31Å; E588-G590 PolarHBondContact O-N 2.89Å; G590-M592 PolarHBondContact O-N 3.43Å
591	Q	64.2	Low	75.7	Confident	142 Å²	142	63.9 Å²	63.9	66%	0.664	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-67.4	118.6	169.2	-71.9	-176.8	-21.2	0	0	109.8	G587 G593	G587-Q591 PolarHBondContact N-O 3.34Å; G587-Q591 VanDerWaalsContact N-O 3.14Å; Q591-G593 PolarHBondContact O-N 3.01Å
592	M	70.4	Confident	76.5	Confident	113 Å²	113	61.2 Å²	61.2	56%	0.557	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-56.8	128.5	169.3	-72.6	172.7	-78.8	0	0	109.4	G590 Q637	G590-M592 PolarHBondContact O-N 3.43Å; M592-Q637 HydrophobicContact CB-CB 4.44Å
593	G	75.5	Confident	77.1	Confident	4 Å²	4	59.8 Å²	59.8	4%	0.041	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-73.6	153.4	-177.3	0	0	0	0	0	112.6	C585 Q591 Q637	C585-G593 WeakPolarHBondContact O-CA 3.3Å; Q591-G593 PolarHBondContact O-N 3.01Å; G593-Q637 WeakPolarHBondContact O-CB 3.27Å; G593-Q637 PolarHBondContact O-N 2.84Å
594	S	82.5	Confident	77.4	Confident	68 Å²	68	61.8 Å²	61.8	48%	0.476	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	158.5	171.1	60.6	0	0	0	0	110.2	L635	S594-L635 WeakPolarHBondContact CA-O 3.32Å
595	V	84.1	Confident	77.5	Confident	20 Å²	20	66.7 Å²	66.7	12%	0.121	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	133.7	175	65.1	0	0	0	0	109.7	L582 L584 L635 L666	L582-V595 HydrophobicContact CB-CG2 4.32Å; L582-V595 HydrophobicContact CD2-CG2 4.46Å; L584-V595 HydrophobicContact CD1-CG1 4.33Å; V595-L635 HydrophobicContact CG1-CB 4.16Å; V595-L635 PolarHBondContact N-O 3Å; V595-L635 PolarHBondContact O-N 3.39Å; V595-L666 HydrophobicContact CG1-CD2 4.32Å
596	T	84.3	Confident	77.8	Confident	75 Å²	75	68.3 Å²	68.3	46%	0.46	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.3	171.8	-49.9	0	0	0	0	109	E598 A633	T596-E598 HydrophobicContact CG2-CG 4.1Å; T596-A633 WeakPolarHBondContact CA-O 3.2Å
597	I	86.8	Confident	78.2	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.01	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.5	168.4	59.7	170.1	0	0	0	108.2	I576 L582 F613 L625 S632 A633 L635 V650 L664	I576-I597 HydrophobicContact CD1-CD1 4.27Å; I576-I597 HydrophobicContact CG2-CB 4.35Å; L582-I597 HydrophobicContact CD1-CG2 3.98Å; I597-F613 HydrophobicContact CD1-CD1 3.74Å; I597-F613 HydrophobicContact CD1-CE1 4.04Å; I597-F613 HydrophobicContact CG1-CD1 4.29Å; I597-F613 HydrophobicContact CG1-CE1 4.2Å; I597-L625 HydrophobicContact CD1-CD2 3.94Å; I597-S632 CarbonylContact O-C 3.5Å; I597-S632 WeakPolarHBondContact O-CA 3.25Å; I597-S632 VanDerWaalsContact O-CB 3.29Å; I597-S632 WeakPolarHBondContact O-CB 3.38Å; I597-A633 HydrophobicContact CD1-CB 4.49Å; I597-A633 HydrophobicContact CG1-CB 4.12Å; I597-A633 VanDerWaalsContact CG1-O 3.31Å; I597-A633 WeakPolarHBondContact CG1-O 3.32Å; I597-A633 PolarHBondContact N-O 3.1Å; I597-A633 PolarHBondContact O-N 3.1Å; I597-L635 HydrophobicContact CG2-CB 4.42Å; I597-V650 HydrophobicContact CD1-CG1 4.08Å; I597-V650 HydrophobicContact CD1-CG2 4.44Å; I597-L664 HydrophobicContact CD1-CD1 4.27Å; I597-L664 HydrophobicContact CG2-CD1 3.71Å
598	E	85.8	Confident	79	Confident	96 Å²	96	69.4 Å²	69.4	45%	0.449	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.7	178.4	-50.9	-150.4	141.1	0	0	108.8	I576 V577 T596	I576-E598 WeakPolarHBondContact CA-O 3.47Å; I576-E598 WeakPolarHBondContact CG2-O 3.48Å; V577-E598 PolarHBondContact N-O 2.83Å; T596-E598 HydrophobicContact CG2-CG 4.1Å
599	A	86.1	Confident	80	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.3	172.5	0	0	0	0	0	110.4	M575 I576 R609 F611 F613 G631 V652	M575-A599 CarbonylContact O-C 3.42Å; M575-A599 VanDerWaalsContact O-CA 3.3Å; M575-A599 WeakPolarHBondContact O-CA 3.17Å; I576-A599 HydrophobicContact CG1-CB 4.49Å; A599-R609 PolarHBondContact O-NH2 2.84Å; A599-F611 HydrophobicContact CB-CD2 3.62Å; A599-F611 HydrophobicContact CB-CE2 3.9Å; A599-F611 HydrophobicContact CB-CG 4.3Å; A599-F611 VanDerWaalsContact O-CE2 3.29Å; A599-F611 WeakPolarHBondContact O-CE2 3.37Å; A599-F613 HydrophobicContact CB-CE1 4.05Å; A599-F613 HydrophobicContact CB-CZ 3.77Å; A599-G631 PolarHBondContact N-O 2.66Å; A599-V652 HydrophobicContact CB-CG1 4.16Å
600	E	87	Confident	81.3	Confident	119 Å²	119	60.9 Å²	60.9	56%	0.556	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	141.1	171.6	-67.7	-178.6	155.3	0	0	107.1	M575 V577	M575-E600 PolarHBondContact N-O 3.19Å; M575-E600 PolarHBondContact O-N 3.03Å; M575-E600 VanDerWaalsContact O-O 3.12Å; V577-E600 HydrophobicContact CG2-CB 4.35Å; V577-E600 HydrophobicContact CG2-CG 3.68Å
601	D	88.3	Confident	82.5	Confident	25 Å²	25	58.1 Å²	58.1	13%	0.134	32%	0.316	C	S	.	.			trans	-130.4	151.5	171.7	-153.6	-21	0	0	0	106.2	N572 V573 P574 A608 F611	N572-D601 VanDerWaalsContact CB-OD1 3.25Å; N572-D601 WeakPolarHBondContact CB-OD1 3.43Å; V573-D601 VanDerWaalsContact C-CG 3.49Å; V573-D601 VanDerWaalsContact C-OD2 3.25Å; V573-D601 PolarHBondContact N-OD1 2.9Å; P574-D601 WeakPolarHBondContact CA-OD2 3.05Å; P574-D601 HydrophobicContact CB-CB 4.14Å; P574-D601 WeakPolarHBondContact CD-OD2 3.22Å; D601-A608 HydrophobicContact CB-CB 3.84Å; D601-F611 HydrophobicContact CB-CE1 3.64Å; D601-F611 HydrophobicContact CB-CZ 3.6Å
602	A	87.2	Confident	83.6	Confident	52 Å²	52	54.3 Å²	54.3	43%	0.43	30%	0.301	S	S	.	.	S	Bend	trans	-86.3	-32	-171.3	0	0	0	0	0	111.8	E535 N572	E535-A602 HydrophobicContact CB-CB 4.36Å; E535-A602 HydrophobicContact CG-CB 3.47Å; E535-A602 VanDerWaalsContact CG-CB 3.47Å; E535-A602 WeakPolarHBondContact CG-O 3.41Å; N572-A602 HydrophobicContact CB-CB 4.26Å
603	D	89.4	Confident	84.4	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.032	28%	0.275	C	S	.	.	S	Bend	trans	-49	160	171.8	-57.9	-8.3	0	0	0	113	N570 N572 A608	N570-D603 VanDerWaalsContact CA-OD2 3.22Å; N570-D603 WeakPolarHBondContact CA-OD2 3.41Å; N570-D603 WeakPolarHBondContact CB-OD2 3.22Å; N570-D603 PolarHBondContact ND2-OD2 2.83Å; N572-D603 VanDerWaalsContact CB-OD1 3.27Å; N572-D603 WeakPolarHBondContact CB-OD1 3.15Å; N572-D603 PolarHBondContact N-OD1 2.88Å; N572-D603 PolarHBondContact ND2-OD1 3.22Å; D603-A608 HydrophobicContact CB-CB 4.48Å; D603-A608 VanDerWaalsContact O-CB 3.28Å; D603-A608 WeakPolarHBondContact O-CB 3.4Å
604	L	85.4	Confident	84.8	Confident	93 Å²	93	53.7 Å²	53.7	49%	0.487	30%	0.296	S	S	.	.			trans	-85.5	178.6	172.2	-55.8	-179.6	0	0	0	112.3	L534 D568 Y607 A608	L534-L604 HydrophobicContact CD2-CD1 3.91Å; L534-L604 HydrophobicContact CD2-CG 4.03Å; D568-L604 WeakPolarHBondContact OD2-CA 3.48Å; D568-L604 VanDerWaalsContact OD2-CB 3.26Å; D568-L604 WeakPolarHBondContact OD2-CB 3.43Å; D568-L604 PolarHBondContact OD2-N 2.85Å; L604-Y607 PolarHBondContact O-N 2.83Å; L604-A608 PolarHBondContact O-N 2.81Å
605	S	81.5	Confident	85	Confident	103 Å²	103	52.1 Å²	52.1	72%	0.72	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	126.4	171.7	-173.3	0	0	0	0	108.9
606	P	80.9	Confident	84.9	Confident	75 Å²	75	52.9 Å²	52.9	49%	0.487	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	cis	-104.2	9.3	28.3	40.4	-37.8	0	0	0	115.9
607	Y	82.4	Confident	84.4	Confident	68 Å²	68	59 Å²	59	27%	0.267	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-32.4	-170.5	-63.6	-43.9	0	0	0	113.7	D568 N570 L604 D654 Q656	D568-Y607 HydrophobicContact CB-CD2 4.39Å; D568-Y607 HydrophobicContact CB-CE2 4.4Å; D568-Y607 VanDerWaalsContact CG-CD2 3.45Å; D568-Y607 VanDerWaalsContact OD1-CD2 3.23Å; D568-Y607 WeakPolarHBondContact OD1-CD2 3.43Å; D568-Y607 WeakPolarHBondContact OD2-CD2 3.25Å; N570-Y607 HydrophobicContact CB-CD1 3.98Å; N570-Y607 HydrophobicContact CB-CD2 3.8Å; N570-Y607 HydrophobicContact CB-CE2 4.35Å; N570-Y607 HydrophobicContact CB-CG 3.6Å; L604-Y607 PolarHBondContact O-N 2.83Å; Y607-D654 WeakPolarHBondContact O-CB 3.15Å; Y607-Q656 VanDerWaalsContact CD1-NE2 3.31Å
608	A	80.8	Confident	83.5	Confident	10 Å²	10	63 Å²	63	8%	0.083	35%	0.352	C	S	.	.	S	Bend	trans	-71.2	-104.7	165.6	0	0	0	0	0	112.2	D601 D603 L604 F611	D601-A608 HydrophobicContact CB-CB 3.84Å; D603-A608 HydrophobicContact CB-CB 4.48Å; D603-A608 VanDerWaalsContact O-CB 3.28Å; D603-A608 WeakPolarHBondContact O-CB 3.4Å; L604-A608 PolarHBondContact O-N 2.81Å; A608-F611 HydrophobicContact CB-CE1 4.24Å; A608-F611 HydrophobicContact CB-CZ 4.16Å; A608-F611 WeakPolarHBondContact O-CD1 3.48Å; A608-F611 WeakPolarHBondContact O-CE1 3.5Å
609	R	81.3	Confident	83	Confident	102 Å²	102	62.3 Å²	62.3	39%	0.385	35%	0.349	S	S	.	.	S	Bend	trans	-78.7	139.4	-171.9	-69.4	175.9	177.2	-144.5	0.1	111.8	A599 F611 N630	A599-R609 PolarHBondContact O-NH2 2.84Å; R609-F611 HydrophobicContact CG-CD2 4.05Å; R609-F611 HydrophobicContact CG-CE1 4.37Å; R609-F611 HydrophobicContact CG-CE2 3.39Å; R609-F611 HydrophobicContact CG-CZ 3.59Å; R609-N630 WeakPolarHBondContact CD-O 3.28Å
610	P	83.9	Confident	82.5	Confident	39 Å²	39	66 Å²	66	25%	0.253	37%	0.369	S	S	.	.	S	Bend	cis	-91	144.3	10	35.2	-36.2	0	0	0	115.5	N630 L655	P610-N630 HydrophobicContact CB-CB 3.85Å; P610-L655 HydrophobicContact CG-CD1 4.23Å; P610-L655 HydrophobicContact CG-CD2 3.94Å; P610-L655 HydrophobicContact CG-CG 4.08Å
611	F	85.8	Confident	82.1	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.035	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-91.9	152.1	174.7	-48.1	-56.4	0	0	0	112.8	P574 A599 D601 A608 R609 F613 V652 T653	P574-F611 HydrophobicContact CB-CD1 3.51Å; P574-F611 HydrophobicContact CB-CE1 3.52Å; P574-F611 HydrophobicContact CB-CG 4.08Å; P574-F611 HydrophobicContact CB-CZ 4.12Å; P574-F611 HydrophobicContact CG-CD1 4.01Å; P574-F611 HydrophobicContact CG-CE1 4.34Å; A599-F611 HydrophobicContact CB-CD2 3.62Å; A599-F611 HydrophobicContact CB-CE2 3.9Å; A599-F611 HydrophobicContact CB-CG 4.3Å; A599-F611 VanDerWaalsContact O-CE2 3.29Å; A599-F611 WeakPolarHBondContact O-CE2 3.37Å; D601-F611 HydrophobicContact CB-CE1 3.64Å; D601-F611 HydrophobicContact CB-CZ 3.6Å; A608-F611 HydrophobicContact CB-CE1 4.24Å; A608-F611 HydrophobicContact CB-CZ 4.16Å; A608-F611 WeakPolarHBondContact O-CD1 3.48Å; A608-F611 WeakPolarHBondContact O-CE1 3.5Å; R609-F611 HydrophobicContact CG-CD2 4.05Å; R609-F611 HydrophobicContact CG-CE1 4.37Å; R609-F611 HydrophobicContact CG-CE2 3.39Å; R609-F611 HydrophobicContact CG-CZ 3.59Å; F611-F613 HydrophobicContact CB-CD2 4.48Å; F611-F613 HydrophobicContact CB-CE2 3.92Å; F611-F613 HydrophobicContact CB-CZ 4.36Å; F611-V652 HydrophobicContact CB-CG1 4.04Å; F611-T653 CarbonylContact C-O 3.49Å; F611-T653 WeakPolarHBondContact CA-O 3.17Å
612	N	85.9	Confident	81.8	Confident	63 Å²	63	64.5 Å²	64.5	34%	0.337	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.6	171.9	174.3	35.2	0	0	0	110	M614 V652 T653	N612-M614 PolarHBondContact ND2-SD 2.86Å; N612-V652 WeakPolarHBondContact O-CA 3.42Å; N612-T653 PolarHBondContact N-O 3.22Å; N612-T653 PolarHBondContact O-N 3.28Å
613	F	86.9	Confident	81.7	Confident	5 Å²	5	62.5 Å²	62.5	2%	0.022	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	124	-178.9	-65.1	-98.8	0	0	0	110.6	I597 A599 F611 L625 I628 A633 V650 V652	I597-F613 HydrophobicContact CD1-CD1 3.74Å; I597-F613 HydrophobicContact CD1-CE1 4.04Å; I597-F613 HydrophobicContact CG1-CD1 4.29Å; I597-F613 HydrophobicContact CG1-CE1 4.2Å; A599-F613 HydrophobicContact CB-CE1 4.05Å; A599-F613 HydrophobicContact CB-CZ 3.77Å; F611-F613 HydrophobicContact CB-CD2 4.48Å; F611-F613 HydrophobicContact CB-CE2 3.92Å; F611-F613 HydrophobicContact CB-CZ 4.36Å; F613-L625 HydrophobicContact CB-CD1 4Å; F613-I628 HydrophobicContact CD2-CG2 4.12Å; F613-A633 HydrophobicContact CB-CB 4.04Å; F613-A633 HydrophobicContact CD1-CB 4.22Å; F613-A633 HydrophobicContact CD2-CB 3.87Å; F613-A633 HydrophobicContact CE2-CB 4.33Å; F613-A633 HydrophobicContact CG-CB 3.8Å; F613-V650 HydrophobicContact CD1-CG1 4.4Å; F613-V652 HydrophobicContact CD1-CG1 4.23Å; F613-V652 HydrophobicContact CD1-CG2 3.73Å; F613-V652 HydrophobicContact CE1-CG1 4.08Å; F613-V652 HydrophobicContact CE1-CG2 3.92Å; F613-V652 HydrophobicContact CZ-CG1 4.41Å
614	M	85.5	Confident	81.5	Confident	98 Å²	98	67 Å²	67	48%	0.483	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.9	-178.5	-65.2	178	64.7	0	0	111.6	N612 H651	N612-M614 PolarHBondContact ND2-SD 2.86Å; M614-H651 HydrophobicContact CB-CB 4.32Å; M614-H651 PolarHBondContact N-O 2.87Å; M614-H651 PolarHBondContact O-N 2.93Å
615	L	85.4	Confident	81.6	Confident	36 Å²	36	64 Å²	64	19%	0.188	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-90.2	134.8	166.3	-64.9	176.9	0	0	0	109.1	H619 W623 L625 V648 V650	L615-H619 HydrophobicContact CB-CB 4.28Å; L615-W623 HydrophobicContact CD1-CB 4.28Å; L615-W623 WeakPolarHBondContact CD1-O 3.19Å; L615-L625 HydrophobicContact CD2-CD1 4.27Å; L615-L625 HydrophobicContact CD2-CG 4.42Å; L615-L625 HydrophobicContact CG-CD1 4.03Å; L615-L625 HydrophobicContact CG-CG 4.25Å; L615-V648 HydrophobicContact CD2-CG1 4.36Å; L615-V650 HydrophobicContact CD2-CG2 4.16Å
616	P	83.3	Confident	81.4	Confident	35 Å²	35	64.7 Å²	64.7	23%	0.227	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-60.4	152.6	179.3	-26	35.6	0	0	0	113.9	G618 H619 P649 V661	P616-G618 PolarHBondContact O-N 2.81Å; P616-H619 WeakPolarHBondContact O-CB 3.38Å; P616-H619 PolarHBondContact O-N 2.75Å; P616-H619 VanDerWaalsContact O-N 3.09Å; P616-P649 WeakPolarHBondContact CD-O 3.27Å; P616-P649 HydrophobicContact CG-CB 4.2Å; P616-P649 HydrophobicContact CG-CG 4.46Å; P616-V661 HydrophobicContact CG-CG1 4Å; P616-V661 HydrophobicContact CG-CG2 4.24Å
617	E	73.5	Confident	80.8	Confident	205 Å²	205	65.7 Å²	65.7	96%	0.958	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	128.2	173.2	-63.4	-167.7	160.8	0	0	110.6
618	G	67.4	Low	80.4	Confident	84 Å²	84	66.5 Å²	66.5	87%	0.866	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	15.1	-174.2	0	0	0	0	0	115.4	P616	P616-G618 PolarHBondContact O-N 2.81Å
619	H	76.1	Confident	79.9	Confident	82 Å²	82	72 Å²	72	38%	0.38	38%	0.375	S	S	.	.			trans	-54.5	155.1	169.7	77.6	101.7	0	0	0	112.6	L615 P616 G621	L615-H619 HydrophobicContact CB-CB 4.28Å; P616-H619 WeakPolarHBondContact O-CB 3.38Å; P616-H619 PolarHBondContact O-N 2.75Å; P616-H619 VanDerWaalsContact O-N 3.09Å; H619-G621 PolarHBondContact O-N 2.95Å
620	D	75.5	Confident	79.4	Confident	77 Å²	77	73.1 Å²	73.1	41%	0.412	39%	0.388	S	S	.	.			trans	-73.2	9.1	-165.1	78.3	-13.4	0	0	0	116.5	K622	D620-K622 VanDerWaalsContact CG-NZ 3.26Å; D620-K622 PolarHBondContact O-N 2.9Å; D620-K622 PolarHBondContact OD1-N 2.88Å; D620-K622 WeakPolarHBondContact OD2-CD 3.26Å; D620-K622 IonicContact OD2-NZ 2.63Å; D620-K622 PolarHBondContact OD2-NZ 2.81Å
621	G	78.1	Confident	79	Confident	46 Å²	46	71.2 Å²	71.2	47%	0.474	38%	0.376	S	S	.	.	S	Bend	trans	70.7	-2.2	179.9	0	0	0	0	0	116.6	H619	H619-G621 PolarHBondContact O-N 2.95Å
622	K	81.9	Confident	79	Confident	68 Å²	68	71.7 Å²	71.7	30%	0.296	38%	0.38	S	S	.	.	S	Bend	trans	-89.2	-13.2	-173	-55.3	-172.9	-162.3	64.8	0	114.5	D620 V638 M641	D620-K622 VanDerWaalsContact CG-NZ 3.26Å; D620-K622 PolarHBondContact O-N 2.9Å; D620-K622 PolarHBondContact OD1-N 2.88Å; D620-K622 WeakPolarHBondContact OD2-CD 3.26Å; D620-K622 IonicContact OD2-NZ 2.63Å; D620-K622 PolarHBondContact OD2-NZ 2.81Å; K622-V638 WeakPolarHBondContact O-CB 3.36Å; K622-V638 PolarHBondContact O-N 2.88Å; K622-M641 HydrophobicContact CB-CE 4.5Å; K622-M641 HydrophobicContact CB-SD 3.75Å; K622-M641 HydrophobicContact CD-CE 3.59Å; K622-M641 HydrophobicContact CD-CG 4.15Å; K622-M641 HydrophobicContact CD-SD 3.51Å; K622-M641 VanDerWaalsContact CD-SD 3.51Å; K622-M641 HydrophobicContact CG-SD 4.17Å
623	W	85.5	Confident	79	Confident	9 Å²	9	68.7 Å²	68.7	3%	0.034	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.3	-169.5	-50.8	102.1	0	0	0	112	L584 L615 L635 E636 Q637 M641 Y646 V648 L666 V668	L584-W623 HydrophobicContact CD1-CH2 4.44Å; L584-W623 HydrophobicContact CD1-CZ3 3.76Å; L615-W623 HydrophobicContact CD1-CB 4.28Å; L615-W623 WeakPolarHBondContact CD1-O 3.19Å; W623-L635 HydrophobicContact CB-CD1 4.05Å; W623-L635 HydrophobicContact CE3-CG 4.45Å; W623-E636 WeakPolarHBondContact CA-O 3.34Å; W623-Q637 HydrophobicContact CZ3-CB 4.1Å; W623-Q637 HydrophobicContact CZ3-CG 4.49Å; W623-M641 HydrophobicContact CH2-CE 4.1Å; W623-M641 HydrophobicContact CH2-SD 4.26Å; W623-M641 HydrophobicContact CZ2-CE 3.61Å; W623-M641 HydrophobicContact CZ2-SD 4.09Å; W623-Y646 HydrophobicContact CZ2-CG 4.36Å; W623-V648 HydrophobicContact CD2-CG2 3.89Å; W623-V648 VanDerWaalsContact CE2-CG2 3.41Å; W623-V648 HydrophobicContact CG-CG1 4.09Å; W623-V648 HydrophobicContact CG-CG2 4.16Å; W623-V648 HydrophobicContact CZ2-CG2 3.78Å; W623-L666 HydrophobicContact CE3-CD1 4.11Å; W623-L666 HydrophobicContact CH2-CD1 3.57Å; W623-L666 HydrophobicContact CZ2-CD1 3.99Å; W623-L666 HydrophobicContact CZ3-CD1 3.65Å; W623-V668 HydrophobicContact CH2-CG2 4.33Å
624	R	85.4	Confident	79	Confident	102 Å²	102	69.6 Å²	69.6	39%	0.385	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.9	172.7	173	175.3	66	-129.4	-7.4	109.7	E636 V638	R624-E636 IonicContact CZ-OE2 3.17Å; R624-E636 PolarHBondContact N-O 3.41Å; R624-E636 IonicContact NE-OE2 2.89Å; R624-E636 PolarHBondContact NE-OE2 2.98Å; R624-E636 IonicContact NH2-OE1 3.52Å; R624-E636 IonicContact NH2-OE2 2.74Å; R624-E636 PolarHBondContact NH2-OE2 3.03Å; R624-E636 PolarHBondContact O-N 2.83Å; R624-V638 HydrophobicContact CB-CG2 3.46Å; R624-V638 VanDerWaalsContact CB-CG2 3.46Å
625	L	85.9	Confident	79	Confident	30 Å²	30	65 Å²	65	16%	0.157	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.3	166.9	-68.9	166.4	0	0	0	109.8	I597 F613 L615 A633 V634 L635	I597-L625 HydrophobicContact CD1-CD2 3.94Å; F613-L625 HydrophobicContact CB-CD1 4Å; L615-L625 HydrophobicContact CD2-CD1 4.27Å; L615-L625 HydrophobicContact CD2-CG 4.42Å; L615-L625 HydrophobicContact CG-CD1 4.03Å; L615-L625 HydrophobicContact CG-CG 4.25Å; L625-A633 HydrophobicContact CD2-CB 4.14Å; L625-V634 CarbonylContact C-O 3.54Å; L625-V634 WeakPolarHBondContact CA-O 3.49Å; L625-L635 HydrophobicContact CD2-CB 4.29Å; L625-L635 HydrophobicContact CD2-CD1 3.78Å; L625-L635 HydrophobicContact CG-CD1 4.25Å
626	R	79.1	Confident	79	Confident	117 Å²	117	64.7 Å²	64.7	44%	0.442	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	167.2	174.2	-156.6	-160.6	-77	-145	9.1	109.3	I628 V634 E636	R626-I628 VanDerWaalsContact C-N 3.26Å; R626-I628 PolarHBondContact O-N 2.98Å; R626-I628 VanDerWaalsContact O-N 3.15Å; R626-V634 PolarHBondContact N-O 3.02Å; R626-V634 PolarHBondContact O-N 3.18Å; R626-E636 HydrophobicContact CB-CG 4.38Å; R626-E636 IonicContact CZ-OE1 3.16Å; R626-E636 IonicContact CZ-OE2 3.45Å; R626-E636 IonicContact NE-OE1 3.06Å; R626-E636 PolarHBondContact NE-OE1 2.85Å; R626-E636 IonicContact NE-OE2 2.84Å; R626-E636 PolarHBondContact NE-OE2 3.19Å; R626-E636 IonicContact NH2-OE1 2.72Å; R626-E636 PolarHBondContact NH2-OE1 3.14Å; R626-E636 IonicContact NH2-OE2 3.18Å; R626-E636 PolarHBondContact NH2-OE2 2.81Å
627	D	68.4	Low	79	Confident	95 Å²	95	63.2 Å²	63.2	51%	0.508	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.7	46.5	167	-54.1	-31.6	0	0	0	112.7	Q629 V634	D627-Q629 PolarHBondContact O-N 2.83Å; D627-V634 HydrophobicContact CB-CB 4.42Å; D627-V634 HydrophobicContact CB-CG2 4.02Å
628	I	73.9	Confident	79.3	Confident	85 Å²	85	56 Å²	56	44%	0.436	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	114.3	174.8	-56.7	173.3	0	0	0	107.8	F613 R626 A633	F613-I628 HydrophobicContact CD2-CG2 4.12Å; R626-I628 VanDerWaalsContact C-N 3.26Å; R626-I628 PolarHBondContact O-N 2.98Å; R626-I628 VanDerWaalsContact O-N 3.15Å; I628-A633 HydrophobicContact CG1-CB 3.92Å
629	Q	70.3	Confident	80	Confident	127 Å²	127	55.4 Å²	55.4	59%	0.593	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	176.4	176.7	-62.8	-177.8	34.8	0	0	109.5	D627 G631 S632	D627-Q629 PolarHBondContact O-N 2.83Å; Q629-G631 PolarHBondContact O-N 3.41Å; Q629-S632 PolarHBondContact N-O 3.27Å; Q629-S632 PolarHBondContact O-N 2.63Å
630	N	70.8	Confident	79.8	Confident	124 Å²	124	60 Å²	60	66%	0.663	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	64.2	-175.1	-69.2	9.6	0	0	0	113	R609 P610	R609-N630 WeakPolarHBondContact CD-O 3.28Å; P610-N630 HydrophobicContact CB-CB 3.85Å
631	G	75	Confident	79.7	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	143.5	-14.7	-179.2	0	0	0	0	0	115.4	A599 Q629	A599-G631 PolarHBondContact N-O 2.66Å; Q629-G631 PolarHBondContact O-N 3.41Å
632	S	84.6	Confident	79.6	Confident	17 Å²	17	58.5 Å²	58.5	12%	0.119	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.3	-173.2	57.6	0	0	0	0	112.8	I597 Q629	I597-S632 CarbonylContact O-C 3.5Å; I597-S632 WeakPolarHBondContact O-CA 3.25Å; I597-S632 VanDerWaalsContact O-CB 3.29Å; I597-S632 WeakPolarHBondContact O-CB 3.38Å; Q629-S632 PolarHBondContact N-O 3.27Å; Q629-S632 PolarHBondContact O-N 2.63Å
633	A	86.8	Confident	79.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155	175.4	0	0	0	0	0	110.5	T596 I597 F613 L625 I628	T596-A633 WeakPolarHBondContact CA-O 3.2Å; I597-A633 HydrophobicContact CD1-CB 4.49Å; I597-A633 HydrophobicContact CG1-CB 4.12Å; I597-A633 VanDerWaalsContact CG1-O 3.31Å; I597-A633 WeakPolarHBondContact CG1-O 3.32Å; I597-A633 PolarHBondContact N-O 3.1Å; I597-A633 PolarHBondContact O-N 3.1Å; F613-A633 HydrophobicContact CB-CB 4.04Å; F613-A633 HydrophobicContact CD1-CB 4.22Å; F613-A633 HydrophobicContact CD2-CB 3.87Å; F613-A633 HydrophobicContact CE2-CB 4.33Å; F613-A633 HydrophobicContact CG-CB 3.8Å; L625-A633 HydrophobicContact CD2-CB 4.14Å; I628-A633 HydrophobicContact CG1-CB 3.92Å
634	V	86.3	Confident	79.1	Confident	25 Å²	25	63.2 Å²	63.2	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.2	174.9	179.9	0	0	0	0	109.4	L625 R626 D627 E636	L625-V634 CarbonylContact C-O 3.54Å; L625-V634 WeakPolarHBondContact CA-O 3.49Å; R626-V634 PolarHBondContact N-O 3.02Å; R626-V634 PolarHBondContact O-N 3.18Å; D627-V634 HydrophobicContact CB-CB 4.42Å; D627-V634 HydrophobicContact CB-CG2 4.02Å; V634-E636 HydrophobicContact CG1-CG 4.22Å
635	L	86.3	Confident	78.9	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	108.5	174.2	-173	62.4	0	0	0	109.1	S594 V595 I597 W623 L625 V648 L664 L666	S594-L635 WeakPolarHBondContact CA-O 3.32Å; V595-L635 HydrophobicContact CG1-CB 4.16Å; V595-L635 PolarHBondContact N-O 3Å; V595-L635 PolarHBondContact O-N 3.39Å; I597-L635 HydrophobicContact CG2-CB 4.42Å; W623-L635 HydrophobicContact CB-CD1 4.05Å; W623-L635 HydrophobicContact CE3-CG 4.45Å; L625-L635 HydrophobicContact CD2-CB 4.29Å; L625-L635 HydrophobicContact CD2-CD1 3.78Å; L625-L635 HydrophobicContact CG-CD1 4.25Å; L635-V648 HydrophobicContact CD2-CG1 4.3Å; L635-L664 HydrophobicContact CD2-CD1 4.25Å; L635-L666 HydrophobicContact CD2-CD1 3.8Å; L635-L666 HydrophobicContact CD2-CD2 4.34Å
636	E	84.2	Confident	78.8	Confident	31 Å²	31	63.5 Å²	63.5	15%	0.145	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.8	178.8	-61.9	-175.8	109.9	0	0	111.6	W623 R624 R626 V634	W623-E636 WeakPolarHBondContact CA-O 3.34Å; R624-E636 IonicContact CZ-OE2 3.17Å; R624-E636 PolarHBondContact N-O 3.41Å; R624-E636 IonicContact NE-OE2 2.89Å; R624-E636 PolarHBondContact NE-OE2 2.98Å; R624-E636 IonicContact NH2-OE1 3.52Å; R624-E636 IonicContact NH2-OE2 2.74Å; R624-E636 PolarHBondContact NH2-OE2 3.03Å; R624-E636 PolarHBondContact O-N 2.83Å; R626-E636 HydrophobicContact CB-CG 4.38Å; R626-E636 IonicContact CZ-OE1 3.16Å; R626-E636 IonicContact CZ-OE2 3.45Å; R626-E636 IonicContact NE-OE1 3.06Å; R626-E636 PolarHBondContact NE-OE1 2.85Å; R626-E636 IonicContact NE-OE2 2.84Å; R626-E636 PolarHBondContact NE-OE2 3.19Å; R626-E636 IonicContact NH2-OE1 2.72Å; R626-E636 PolarHBondContact NH2-OE1 3.14Å; R626-E636 IonicContact NH2-OE2 3.18Å; R626-E636 PolarHBondContact NH2-OE2 2.81Å; V634-E636 HydrophobicContact CG1-CG 4.22Å
637	Q	84.7	Confident	79	Confident	4 Å²	4	62.4 Å²	62.4	2%	0.019	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.3	161	-176.9	-179.6	-6.1	0	0	109.7	L584 M592 G593 W623 V639 M641	L584-Q637 HydrophobicContact CD1-CB 4.43Å; L584-Q637 HydrophobicContact CD2-CB 4.42Å; M592-Q637 HydrophobicContact CB-CB 4.44Å; G593-Q637 WeakPolarHBondContact O-CB 3.27Å; G593-Q637 PolarHBondContact O-N 2.84Å; W623-Q637 HydrophobicContact CZ3-CB 4.1Å; W623-Q637 HydrophobicContact CZ3-CG 4.49Å; Q637-V639 WeakPolarHBondContact CG-O 3.31Å; Q637-V639 PolarHBondContact NE2-O 2.93Å; Q637-M641 HydrophobicContact CG-SD 4.37Å
638	V	80.1	Confident	79.9	Confident	53 Å²	53	58 Å²	58	32%	0.321	31%	0.312	S	S	.	.			trans	-113	-16.4	-177.6	-171.7	0	0	0	0	112.3	K622 R624	K622-V638 WeakPolarHBondContact O-CB 3.36Å; K622-V638 PolarHBondContact O-N 2.88Å; R624-V638 HydrophobicContact CB-CG2 3.46Å; R624-V638 VanDerWaalsContact CB-CG2 3.46Å
639	V	80.1	Confident	80.4	Confident	71 Å²	71	56.3 Å²	56.3	43%	0.43	31%	0.307	S	S	.	.	S	Bend	trans	-132.6	139.6	-176.8	-174.9	0	0	0	0	108.8	Q637 M641	Q637-V639 WeakPolarHBondContact CG-O 3.31Å; Q637-V639 PolarHBondContact NE2-O 2.93Å; V639-M641 WeakPolarHBondContact O-CG 3.14Å; V639-M641 PolarHBondContact O-N 3.33Å
640	E	73.4	Confident	81.2	Confident	180 Å²	180	50.3 Å²	50.3	84%	0.841	28%	0.278	S	S	*	.			trans	-61.9	131.2	173.2	-167.8	-179.5	175.1	0	0	110.3
641	M	73.4	Confident	82	Confident	21 Å²	21	47.1 Å²	47.1	10%	0.103	26%	0.259	C	S	.	.			trans	-135	155.6	-168.6	-74.7	169.3	65.4	0	0	111.5	K622 W623 Q637 V639 R643 Y646	K622-M641 HydrophobicContact CB-CE 4.5Å; K622-M641 HydrophobicContact CB-SD 3.75Å; K622-M641 HydrophobicContact CD-CE 3.59Å; K622-M641 HydrophobicContact CD-CG 4.15Å; K622-M641 HydrophobicContact CD-SD 3.51Å; K622-M641 VanDerWaalsContact CD-SD 3.51Å; K622-M641 HydrophobicContact CG-SD 4.17Å; W623-M641 HydrophobicContact CH2-CE 4.1Å; W623-M641 HydrophobicContact CH2-SD 4.26Å; W623-M641 HydrophobicContact CZ2-CE 3.61Å; W623-M641 HydrophobicContact CZ2-SD 4.09Å; Q637-M641 HydrophobicContact CG-SD 4.37Å; V639-M641 WeakPolarHBondContact O-CG 3.14Å; V639-M641 PolarHBondContact O-N 3.33Å; M641-R643 PolarHBondContact O-N 2.91Å; M641-Y646 HydrophobicContact CB-CE2 4.35Å; M641-Y646 HydrophobicContact CE-CD1 3.53Å; M641-Y646 HydrophobicContact CE-CD2 3.71Å; M641-Y646 HydrophobicContact CE-CE1 3.39Å; M641-Y646 HydrophobicContact CE-CE2 3.56Å; M641-Y646 HydrophobicContact CE-CG 3.68Å
642	A	75.5	Confident	82.6	Confident	70 Å²	70	47.1 Å²	47.1	58%	0.579	26%	0.259	S	S	*	.			trans	-73.5	128.8	179.3	0	0	0	0	0	110.7	G644 Y646	A642-G644 PolarHBondContact O-N 3.43Å; A642-G644 VanDerWaalsContact O-N 3.16Å; A642-Y646 PolarHBondContact N-OH 3.46Å; A642-Y646 VanDerWaalsContact O-CE2 3.27Å; A642-Y646 WeakPolarHBondContact O-CE2 3.37Å; A642-Y646 PolarHBondContact O-OH 2.65Å
643	R	80.3	Confident	82.7	Confident	146 Å²	146	46.5 Å²	46.5	55%	0.551	26%	0.255	S	S	*	.	S	Bend	trans	-53.5	120.6	178	-64.7	174	-177.2	177.6	1.9	111.1	E586 M641 V668	E586-R643 WeakPolarHBondContact OE2-CG 3.33Å; E586-R643 IonicContact OE2-CZ 3.58Å; E586-R643 IonicContact OE2-NE 2.83Å; E586-R643 PolarHBondContact OE2-NE 3.01Å; E586-R643 IonicContact OE2-NH2 3.46Å; E586-R643 PolarHBondContact OE2-NH2 3.32Å; M641-R643 PolarHBondContact O-N 2.91Å; R643-V668 CarbonylContact C-O 3.59Å; R643-V668 WeakPolarHBondContact CA-O 3.14Å
644	G	76.1	Confident	82.6	Confident	29 Å²	29	46.7 Å²	46.7	30%	0.299	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-170.2	-164.8	0	0	0	0	0	112.9	A642 R667 V668	A642-G644 PolarHBondContact O-N 3.43Å; A642-G644 VanDerWaalsContact O-N 3.16Å; G644-R667 CarbonylContact O-C 3.6Å; G644-R667 WeakPolarHBondContact O-CA 3.23Å; G644-V668 PolarHBondContact N-O 3.15Å; G644-V668 VanDerWaalsContact N-O 3.1Å; G644-V668 PolarHBondContact O-N 3.4Å
645	V	81.8	Confident	82.3	Confident	78 Å²	78	50.6 Å²	50.6	47%	0.473	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.9	176	175.7	0	0	0	0	109.5	Y581 L666 R667	Y581-V645 HydrophobicContact CD1-CG1 4.03Å; Y581-V645 HydrophobicContact CD1-CG2 4.01Å; Y581-V645 HydrophobicContact CE1-CG1 3.89Å; Y581-V645 HydrophobicContact CE1-CG2 3.93Å; V645-L666 CarbonylContact C-O 3.58Å; V645-L666 VanDerWaalsContact CA-O 3.27Å; V645-L666 WeakPolarHBondContact CA-O 3.33Å; V645-R667 HydrophobicContact CG2-CG 4.5Å
646	Y	83.9	Confident	81.9	Confident	61 Å²	61	55.4 Å²	55.4	24%	0.239	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	146.1	-179.7	-69.6	-79.7	0	0	0	111.1	W623 M641 A642 L666 V668	W623-Y646 HydrophobicContact CZ2-CG 4.36Å; M641-Y646 HydrophobicContact CB-CE2 4.35Å; M641-Y646 HydrophobicContact CE-CD1 3.53Å; M641-Y646 HydrophobicContact CE-CD2 3.71Å; M641-Y646 HydrophobicContact CE-CE1 3.39Å; M641-Y646 HydrophobicContact CE-CE2 3.56Å; M641-Y646 HydrophobicContact CE-CG 3.68Å; A642-Y646 PolarHBondContact N-OH 3.46Å; A642-Y646 VanDerWaalsContact O-CE2 3.27Å; A642-Y646 WeakPolarHBondContact O-CE2 3.37Å; A642-Y646 PolarHBondContact O-OH 2.65Å; Y646-L666 PolarHBondContact N-O 3.06Å; Y646-L666 PolarHBondContact O-N 2.91Å; Y646-V668 HydrophobicContact CD2-CB 4.5Å; Y646-V668 HydrophobicContact CD2-CG2 3.76Å; Y646-V668 HydrophobicContact CE2-CB 4.45Å; Y646-V668 HydrophobicContact CE2-CG2 4.04Å
647	T	83.8	Confident	81.7	Confident	94 Å²	94	60.1 Å²	60.1	58%	0.577	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.7	176.1	52.1	0	0	0	0	110.4	V663 L664	T647-V663 HydrophobicContact CG2-CG1 4.3Å; T647-L664 CarbonylContact C-O 3.49Å; T647-L664 VanDerWaalsContact CA-O 3.26Å; T647-L664 WeakPolarHBondContact CA-O 3.44Å
648	V	86.1	Confident	81.6	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.5	-178.8	-172.5	0	0	0	0	109.8	L615 W623 L635 V650 L664 L666	L615-V648 HydrophobicContact CD2-CG1 4.36Å; W623-V648 HydrophobicContact CD2-CG2 3.89Å; W623-V648 VanDerWaalsContact CE2-CG2 3.41Å; W623-V648 HydrophobicContact CG-CG1 4.09Å; W623-V648 HydrophobicContact CG-CG2 4.16Å; W623-V648 HydrophobicContact CZ2-CG2 3.78Å; L635-V648 HydrophobicContact CD2-CG1 4.3Å; V648-V650 HydrophobicContact CG1-CG2 4.2Å; V648-L664 PolarHBondContact N-O 3.15Å; V648-L664 PolarHBondContact O-N 2.7Å; V648-L666 HydrophobicContact CB-CD1 4.41Å; V648-L666 HydrophobicContact CG2-CD1 3.51Å; V648-L666 HydrophobicContact CG2-CG 3.95Å
649	P	85.8	Confident	81.7	Confident	50 Å²	50	62.9 Å²	62.9	33%	0.325	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.8	171.8	31.8	-32.5	0	0	0	109.8	P616 V661 Q662	P616-P649 WeakPolarHBondContact CD-O 3.27Å; P616-P649 HydrophobicContact CG-CB 4.2Å; P616-P649 HydrophobicContact CG-CG 4.46Å; P649-V661 HydrophobicContact CB-CG1 3.72Å; P649-Q662 CarbonylContact C-O 3.57Å; P649-Q662 WeakPolarHBondContact CA-O 3.44Å
650	V	87.1	Confident	82	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.5	175.1	-177.8	0	0	0	0	108	I576 I597 F613 L615 V648 V652 Q662 L664	I576-V650 HydrophobicContact CD1-CB 4.17Å; I576-V650 HydrophobicContact CD1-CG1 4.25Å; I597-V650 HydrophobicContact CD1-CG1 4.08Å; I597-V650 HydrophobicContact CD1-CG2 4.44Å; F613-V650 HydrophobicContact CD1-CG1 4.4Å; L615-V650 HydrophobicContact CD2-CG2 4.16Å; V648-V650 HydrophobicContact CG1-CG2 4.2Å; V650-V652 HydrophobicContact CG1-CG2 4.15Å; V650-Q662 PolarHBondContact N-O 3.13Å; V650-Q662 PolarHBondContact O-N 3.29Å; V650-L664 HydrophobicContact CB-CD1 4.46Å; V650-L664 HydrophobicContact CG2-CD1 3.69Å; V650-L664 HydrophobicContact CG2-CG 4.25Å
651	H	87.1	Confident	82.6	Confident	57 Å²	57	56.2 Å²	56.2	26%	0.264	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	125.7	171.8	-170.2	-111.3	0	0	0	108.8	M614 T653 G660 V661	M614-H651 HydrophobicContact CB-CB 4.32Å; M614-H651 PolarHBondContact N-O 2.87Å; M614-H651 PolarHBondContact O-N 2.93Å; H651-T653 WeakPolarHBondContact CE1-CG2 3.48Å; H651-G660 WeakPolarHBondContact CA-O 3.26Å; H651-G660 VanDerWaalsContact CD2-C 3.42Å; H651-V661 HydrophobicContact CB-CG2 4.33Å
652	V	88.3	Confident	83.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	133.8	175.7	-169.3	0	0	0	0	108.6	P574 I576 A599 F611 N612 F613 V650 G659 G660	P574-V652 HydrophobicContact CB-CG1 4.01Å; P574-V652 HydrophobicContact CG-CB 4.48Å; P574-V652 HydrophobicContact CG-CG1 3.9Å; I576-V652 HydrophobicContact CD1-CG2 3.64Å; I576-V652 HydrophobicContact CG1-CG2 3.79Å; A599-V652 HydrophobicContact CB-CG1 4.16Å; F611-V652 HydrophobicContact CB-CG1 4.04Å; N612-V652 WeakPolarHBondContact O-CA 3.42Å; F613-V652 HydrophobicContact CD1-CG1 4.23Å; F613-V652 HydrophobicContact CD1-CG2 3.73Å; F613-V652 HydrophobicContact CE1-CG1 4.08Å; F613-V652 HydrophobicContact CE1-CG2 3.92Å; F613-V652 HydrophobicContact CZ-CG1 4.41Å; V650-V652 HydrophobicContact CG1-CG2 4.15Å; V652-G659 CarbonylContact O-C 3.56Å; V652-G659 VanDerWaalsContact O-CA 3.27Å; V652-G659 WeakPolarHBondContact O-CA 3.36Å; V652-G660 PolarHBondContact N-O 3.18Å; V652-G660 VanDerWaalsContact N-O 3.09Å; V652-G660 PolarHBondContact O-N 3.49Å
653	T	85.9	Confident	83.6	Confident	4 Å²	4	58.4 Å²	58.4	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	159.2	172.4	70.5	0	0	0	0	112.4	F611 N612 H651 K658	F611-T653 CarbonylContact C-O 3.49Å; F611-T653 WeakPolarHBondContact CA-O 3.17Å; N612-T653 PolarHBondContact N-O 3.22Å; N612-T653 PolarHBondContact O-N 3.28Å; H651-T653 WeakPolarHBondContact CE1-CG2 3.48Å; T653-K658 CarbonylContact C-O 3.47Å; T653-K658 WeakPolarHBondContact CA-O 3.17Å; T653-K658 WeakPolarHBondContact CB-O 3.16Å
654	D	84.5	Confident	83.9	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	30%	0.3	C	S	.	.			trans	-71.8	-171.6	165.1	75.7	-15.8	0	0	0	112	N570 Y607 Q656 N657 K658	N570-D654 PolarHBondContact ND2-OD2 2.83Å; Y607-D654 WeakPolarHBondContact O-CB 3.15Å; D654-Q656 VanDerWaalsContact C-N 3.26Å; D654-Q656 PolarHBondContact O-N 2.81Å; D654-Q656 VanDerWaalsContact OD1-C 3.3Å; D654-Q656 WeakPolarHBondContact OD1-CA 3.31Å; D654-Q656 PolarHBondContact OD1-N 2.92Å; D654-Q656 WeakPolarHBondContact OD2-CB 3.25Å; D654-Q656 PolarHBondContact OD2-N 2.98Å; D654-Q656 PolarHBondContact OD2-NE2 3.23Å; D654-N657 PolarHBondContact OD1-N 2.73Å; D654-K658 PolarHBondContact N-O 2.8Å; D654-K658 PolarHBondContact OD1-N 2.67Å
655	L	80	Confident	84.3	Confident	108 Å²	108	52.9 Å²	52.9	57%	0.565	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.4	171.6	-81.3	-177	0	0	0	114.6	P610	P610-L655 HydrophobicContact CG-CD1 4.23Å; P610-L655 HydrophobicContact CG-CD2 3.94Å; P610-L655 HydrophobicContact CG-CG 4.08Å
656	Q	78.9	Confident	84.4	Confident	101 Å²	101	49.2 Å²	49.2	47%	0.472	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-1.9	-176.4	-54.3	178.5	104	0	0	112.8	N570 Y607 D654	N570-Q656 VanDerWaalsContact CG-NE2 3.29Å; N570-Q656 PolarHBondContact OD1-NE2 2.77Å; Y607-Q656 VanDerWaalsContact CD1-NE2 3.31Å; D654-Q656 VanDerWaalsContact C-N 3.26Å; D654-Q656 PolarHBondContact O-N 2.81Å; D654-Q656 VanDerWaalsContact OD1-C 3.3Å; D654-Q656 WeakPolarHBondContact OD1-CA 3.31Å; D654-Q656 PolarHBondContact OD1-N 2.92Å; D654-Q656 WeakPolarHBondContact OD2-CB 3.25Å; D654-Q656 PolarHBondContact OD2-N 2.98Å; D654-Q656 PolarHBondContact OD2-NE2 3.23Å
657	N	79.6	Confident	84.4	Confident	129 Å²	129	50.7 Å²	50.7	69%	0.69	28%	0.283	S	S	*	.	S	Bend	trans	72.9	21.4	-175.4	-45.8	-96.7	0	0	0	114.4	D654	D654-N657 PolarHBondContact OD1-N 2.73Å
658	K	81.4	Confident	84.3	Confident	82 Å²	82	46.3 Å²	46.3	36%	0.357	26%	0.256	S	S	.	.			trans	-80.8	142.8	161.2	-87.3	170.6	148.8	-149.7	0	109.8	N570 V573 T653 D654	N570-K658 PolarHBondContact O-NZ 2.62Å; N570-K658 WeakPolarHBondContact OD1-CD 3.4Å; N570-K658 VanDerWaalsContact OD1-CE 3.27Å; N570-K658 WeakPolarHBondContact OD1-CE 3.19Å; N570-K658 PolarHBondContact OD1-NZ 3.06Å; V573-K658 HydrophobicContact CG1-CB 4.42Å; T653-K658 CarbonylContact C-O 3.47Å; T653-K658 WeakPolarHBondContact CA-O 3.17Å; T653-K658 WeakPolarHBondContact CB-O 3.16Å; D654-K658 PolarHBondContact N-O 2.8Å; D654-K658 PolarHBondContact OD1-N 2.67Å
659	G	83.1	Confident	84	Confident	34 Å²	34	46.9 Å²	46.9	35%	0.351	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	150.2	-161	-175.4	0	0	0	0	0	112.1	V652	V652-G659 CarbonylContact O-C 3.56Å; V652-G659 VanDerWaalsContact O-CA 3.27Å; V652-G659 WeakPolarHBondContact O-CA 3.36Å
660	G	86	Confident	83.5	Confident	25 Å²	25	47.9 Å²	47.9	26%	0.258	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	175.7	-177.2	0	0	0	0	0	115.3	H651 V652	H651-G660 WeakPolarHBondContact CA-O 3.26Å; H651-G660 VanDerWaalsContact CD2-C 3.42Å; V652-G660 PolarHBondContact N-O 3.18Å; V652-G660 VanDerWaalsContact N-O 3.09Å; V652-G660 PolarHBondContact O-N 3.49Å
661	V	85.9	Confident	82.8	Confident	85 Å²	85	48.8 Å²	48.8	52%	0.515	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.5	177.8	-174.8	0	0	0	0	110	P616 P649 H651	P616-V661 HydrophobicContact CG-CG1 4Å; P616-V661 HydrophobicContact CG-CG2 4.24Å; P649-V661 HydrophobicContact CB-CG1 3.72Å; H651-V661 HydrophobicContact CB-CG2 4.33Å
662	Q	85.8	Confident	81.8	Confident	40 Å²	40	52.4 Å²	52.4	19%	0.187	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.7	-179.9	-64.5	172.5	63.1	0	0	109.8	P574 M575 P649 V650	P574-Q662 PolarHBondContact O-NE2 3.11Å; M575-Q662 VanDerWaalsContact CA-OE1 3.3Å; P649-Q662 CarbonylContact C-O 3.57Å; P649-Q662 WeakPolarHBondContact CA-O 3.44Å; V650-Q662 PolarHBondContact N-O 3.13Å; V650-Q662 PolarHBondContact O-N 3.29Å
663	V	85.4	Confident	80.5	Confident	97 Å²	97	56.9 Å²	56.9	59%	0.588	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	104.8	-173.3	-175.9	0	0	0	0	110.4	T647	T647-V663 HydrophobicContact CG2-CG1 4.3Å
664	L	84.6	Confident	79.4	Confident	15 Å²	15	58.8 Å²	58.8	8%	0.079	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.6	178.2	-58.2	-178.1	0	0	0	111.3	I576 L582 I597 L635 T647 V648 V650 L666	I576-L664 HydrophobicContact CB-CD2 4Å; I576-L664 HydrophobicContact CD1-CD1 4.11Å; I576-L664 HydrophobicContact CD1-CD2 3.77Å; I576-L664 HydrophobicContact CD1-CG 4.21Å; I576-L664 HydrophobicContact CG1-CD2 4.49Å; I576-L664 HydrophobicContact CG2-CD2 3.68Å; L582-L664 HydrophobicContact CD1-CB 4.44Å; L582-L664 HydrophobicContact CD1-CD1 4.23Å; L582-L664 HydrophobicContact CD1-CD2 4.24Å; I597-L664 HydrophobicContact CD1-CD1 4.27Å; I597-L664 HydrophobicContact CG2-CD1 3.71Å; L635-L664 HydrophobicContact CD2-CD1 4.25Å; T647-L664 CarbonylContact C-O 3.49Å; T647-L664 VanDerWaalsContact CA-O 3.26Å; T647-L664 WeakPolarHBondContact CA-O 3.44Å; V648-L664 PolarHBondContact N-O 3.15Å; V648-L664 PolarHBondContact O-N 2.7Å; V650-L664 HydrophobicContact CB-CD1 4.46Å; V650-L664 HydrophobicContact CG2-CD1 3.69Å; V650-L664 HydrophobicContact CG2-CG 4.25Å; L664-L666 HydrophobicContact CB-CD2 4.14Å
665	S	85.1	Confident	78.6	Confident	45 Å²	45	66 Å²	66	32%	0.315	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	104.2	170.5	-68	0	0	0	0	110	Y581 L582	Y581-S665 CarbonylContact C-O 3.59Å; Y581-S665 WeakPolarHBondContact CA-O 3.44Å; L582-S665 PolarHBondContact N-O 3.35Å
666	L	84.1	Confident	78	Confident	0 Å²	0	63 Å²	63	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	148.7	177.7	-50.7	-172.4	0	0	0	110.8	L582 V595 W623 L635 V645 Y646 V648 L664	L582-L666 HydrophobicContact CB-CD2 3.67Å; L582-L666 HydrophobicContact CD1-CD2 3.88Å; L582-L666 HydrophobicContact CG-CD2 4.42Å; L582-L666 CarbonylContact O-C 3.47Å; L582-L666 VanDerWaalsContact O-CA 3.31Å; L582-L666 WeakPolarHBondContact O-CA 3.41Å; V595-L666 HydrophobicContact CG1-CD2 4.32Å; W623-L666 HydrophobicContact CE3-CD1 4.11Å; W623-L666 HydrophobicContact CH2-CD1 3.57Å; W623-L666 HydrophobicContact CZ2-CD1 3.99Å; W623-L666 HydrophobicContact CZ3-CD1 3.65Å; L635-L666 HydrophobicContact CD2-CD1 3.8Å; L635-L666 HydrophobicContact CD2-CD2 4.34Å; V645-L666 CarbonylContact C-O 3.58Å; V645-L666 VanDerWaalsContact CA-O 3.27Å; V645-L666 WeakPolarHBondContact CA-O 3.33Å; Y646-L666 PolarHBondContact N-O 3.06Å; Y646-L666 PolarHBondContact O-N 2.91Å; V648-L666 HydrophobicContact CB-CD1 4.41Å; V648-L666 HydrophobicContact CG2-CD1 3.51Å; V648-L666 HydrophobicContact CG2-CG 3.95Å; L664-L666 HydrophobicContact CB-CD2 4.14Å
667	R	84.3	Confident	77.5	Confident	93 Å²	93	62.4 Å²	62.4	35%	0.351	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	110.5	170.4	-179.6	-176.9	-66.1	-171.5	0.1	110	L582 L584 G644 V645	L582-R667 PolarHBondContact O-N 2.81Å; L584-R667 PolarHBondContact N-O 2.75Å; G644-R667 CarbonylContact O-C 3.6Å; G644-R667 WeakPolarHBondContact O-CA 3.23Å; V645-R667 HydrophobicContact CG2-CG 4.5Å
668	V	82.1	Confident	76.4	Confident	2 Å²	2	60.4 Å²	60.4	1%	0.012	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.6	177	-178.2	0	0	0	0	109.1	L584 E586 W623 R643 G644 Y646	L584-V668 HydrophobicContact CD2-CG1 4.33Å; L584-V668 HydrophobicContact CD2-CG2 4.28Å; E586-V668 HydrophobicContact CG-CG1 3.92Å; E586-V668 WeakPolarHBondContact OE1-CG1 2.81Å; W623-V668 HydrophobicContact CH2-CG2 4.33Å; R643-V668 CarbonylContact C-O 3.59Å; R643-V668 WeakPolarHBondContact CA-O 3.14Å; G644-V668 PolarHBondContact N-O 3.15Å; G644-V668 VanDerWaalsContact N-O 3.1Å; G644-V668 PolarHBondContact O-N 3.4Å; Y646-V668 HydrophobicContact CD2-CB 4.5Å; Y646-V668 HydrophobicContact CD2-CG2 3.76Å; Y646-V668 HydrophobicContact CE2-CB 4.45Å; Y646-V668 HydrophobicContact CE2-CG2 4.04Å
669	C	78.4	Confident	74.8	Confident	14 Å²	14	66.3 Å²	66.3	10%	0.095	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	165.6	-178.5	68.6	0	0	0	0	112.9	L584 E586 C676	L584-C669 PolarHBondContact O-N 2.69Å; E586-C669 PolarHBondContact N-O 2.92Å; C669-C676 HydrophobicContact CB-CB 3.71Å; C669-C676 WeakPolarHBondContact CB-SG 3.35Å; C669-C676 WeakPolarHBondContact SG-CA 3.32Å; C669-C676 WeakPolarHBondContact SG-CB 3.22Å; C669-C676 CovalentContact SG-SG 2.04Å; C669-C676 PolarHBondContact SG-SG 2.93Å
670	Q	77	Confident	72.9	Confident	70 Å²	70	76.7 Å²	76.7	33%	0.327	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123	166.8	-176.7	171.6	-0.5	0	0	108.8	E588 V677	E588-Q670 PolarHBondContact OE1-NE2 3.13Å; Q670-V677 PolarHBondContact O-N 2.91Å; Q670-V677 VanDerWaalsContact O-N 3.11Å
671	C	70.4	Confident	70.7	Confident	20 Å²	20	80.5 Å²	80.5	14%	0.135	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	155.5	-175.2	-60.9	0	0	0	0	112.7	C585 E675	C585-C671 WeakPolarHBondContact CA-SG 3.45Å; C585-C671 HydrophobicContact CB-CB 3.58Å; C585-C671 WeakPolarHBondContact CB-SG 3.31Å; C585-C671 WeakPolarHBondContact SG-CB 3.41Å; C585-C671 CovalentContact SG-SG 2.03Å; C585-C671 PolarHBondContact SG-SG 3.04Å; C671-E675 WeakPolarHBondContact CA-O 3.49Å
672	L	67	Low	68.7	Low	133 Å²	133	82.4 Å²	82.4	70%	0.696	47%	0.474	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	113.9	164.5	-118.1	144.9	0	0	0	107	G674 E675 V677	L672-G674 PolarHBondContact O-N 3.01Å; L672-E675 PolarHBondContact N-O 3.11Å; L672-E675 VanDerWaalsContact N-O 3.08Å; L672-V677 HydrophobicContact CB-CG2 3.83Å; L672-V677 HydrophobicContact CD1-CG2 4.07Å
673	G	60.7	Low	67.1	Low	93 Å²	93	86.3 Å²	86.3	96%	0.959	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	13.1	-174.7	0	0	0	0	0	115.8
674	G	63.9	Low	65.6	Low	44 Å²	44	87 Å²	87	45%	0.454	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.8	-10.9	179.4	0	0	0	0	0	115.4	L672	L672-G674 PolarHBondContact O-N 3.01Å
675	E	66.8	Low	64.2	Low	156 Å²	156	91.5 Å²	91.5	73%	0.729	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	143.9	179	-63.7	-167.9	152.3	0	0	113.1	C671 L672 V677	C671-E675 WeakPolarHBondContact CA-O 3.49Å; L672-E675 PolarHBondContact N-O 3.11Å; L672-E675 VanDerWaalsContact N-O 3.08Å; E675-V677 PolarHBondContact O-N 2.91Å
676	C	68.6	Low	63.3	Low	44 Å²	44	91.6 Å²	91.6	30%	0.297	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	124.1	178.8	-61.5	0	0	0	0	113.2	T583 C669 A678	T583-C676 VanDerWaalsContact CG2-SG 3.6Å; C669-C676 HydrophobicContact CB-CB 3.71Å; C669-C676 WeakPolarHBondContact CB-SG 3.35Å; C669-C676 WeakPolarHBondContact SG-CA 3.32Å; C669-C676 WeakPolarHBondContact SG-CB 3.22Å; C669-C676 CovalentContact SG-SG 2.04Å; C669-C676 PolarHBondContact SG-SG 2.93Å; C676-A678 PolarHBondContact O-N 3.25Å
677	V	66.7	Low	62.5	Low	89 Å²	89	98.3 Å²	98.3	54%	0.539	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-76.9	118.5	178.9	-174.2	0	0	0	0	112	Q670 L672 E675	Q670-V677 PolarHBondContact O-N 2.91Å; Q670-V677 VanDerWaalsContact O-N 3.11Å; L672-V677 HydrophobicContact CB-CG2 3.83Å; L672-V677 HydrophobicContact CD1-CG2 4.07Å; E675-V677 PolarHBondContact O-N 2.91Å
678	A	57.1	Low	61.7	Low	87 Å²	87	104.4 Å²	104.4	72%	0.719	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-72.7	136	174.7	0	0	0	0	0	112.5	C676 R680	C676-A678 PolarHBondContact O-N 3.25Å; A678-R680 PolarHBondContact O-N 2.75Å
679	K	48	Very low	61	Low	207 Å²	207	105.5 Å²	105.5	90%	0.9	61%	0.614	S	S	*	*			trans	-72.5	110.1	-176	-166.5	174.2	-173	174.6	0	111.3	S681	K679-S681 PolarHBondContact O-N 3.04Å
680	R	42.3	Very low	60.7	Low	251 Å²	251	108.7 Å²	108.7	95%	0.947	63%	0.633	S	S	*	*			trans	-58.7	118	179.3	-71.9	-176.1	176.6	179.8	-0.3	112.1	A678	A678-R680 PolarHBondContact O-N 2.75Å
681	S	41.5	Very low	60.5	Low	106 Å²	106	110.3 Å²	110.3	74%	0.741	64%	0.643	S	S	*	*			trans	-106.1	110	168.1	45	0	0	0	0	110.4	K679 V683	K679-S681 PolarHBondContact O-N 3.04Å; S681-V683 PolarHBondContact O-N 2.83Å
682	S	43.8	Very low	60.6	Low	125 Å²	125	112 Å²	112	87%	0.874	66%	0.659	S	S	*	*			trans	-83.1	102	176.9	52.2	0	0	0	0	110.9
683	V	50.5	Low	61	Low	122 Å²	122	112.6 Å²	112.6	74%	0.739	66%	0.66	S	S	*	*			trans	-87.3	115.8	175.4	-177.9	0	0	0	0	109.9	S681 V685	S681-V683 PolarHBondContact O-N 2.83Å; V683-V685 PolarHBondContact O-N 3.4Å
684	S	54	Low	61.8	Low	112 Å²	112	113.5 Å²	113.5	78%	0.783	64%	0.642	S	S	*	*			trans	-74.1	110	172	58.1	0	0	0	0	110.3	G686	S684-G686 PolarHBondContact O-N 2.9Å; S684-G686 VanDerWaalsContact O-N 3.12Å
685	V	57	Low	62.7	Low	108 Å²	108	116.8 Å²	116.8	66%	0.655	65%	0.648	S	S	*	*			trans	-70.2	107.9	179.7	-178.3	0	0	0	0	110	V683	V683-V685 PolarHBondContact O-N 3.4Å
686	G	64.7	Low	63.2	Low	48 Å²	48	112 Å²	112	50%	0.495	64%	0.636	S	S	.	*			trans	-68.5	169.9	175.7	0	0	0	0	0	113.2	S684 W688 G689	S684-G686 PolarHBondContact O-N 2.9Å; S684-G686 VanDerWaalsContact O-N 3.12Å; G686-W688 PolarHBondContact O-N 3.07Å; G686-G689 PolarHBondContact O-N 2.83Å
687	I	68.2	Low	63.7	Low	141 Å²	141	116.5 Å²	116.5	72%	0.723	65%	0.651	S	S	*	*	H	α-helix	trans	-49.6	-36	-173.2	-63.1	165.8	0	0	0	113.2	G689 V690 L691	I687-G689 VanDerWaalsContact C-N 3.3Å; I687-G689 PolarHBondContact O-N 2.83Å; I687-V690 WeakPolarHBondContact O-CB 3.33Å; I687-V690 PolarHBondContact O-N 3.47Å; I687-L691 PolarHBondContact O-N 2.87Å; I687-L691 VanDerWaalsContact O-N 3.08Å
688	W	67.5	Low	64.4	Low	221 Å²	221	118 Å²	118	84%	0.837	66%	0.655	S	S	*	*	H	α-helix	trans	-60.4	-32.4	176.3	-71.2	90.7	0	0	0	114.2	G686 L691 A692	G686-W688 PolarHBondContact O-N 3.07Å; W688-L691 WeakPolarHBondContact O-CB 3.32Å; W688-L691 PolarHBondContact O-N 2.91Å; W688-A692 PolarHBondContact O-N 2.71Å
689	G	67.2	Low	65.5	Low	24 Å²	24	118.8 Å²	118.8	25%	0.247	65%	0.647	C	S	.	*	H	α-helix	trans	-73.3	-32.5	175.4	0	0	0	0	0	113.1	G686 I687 L691 A692 M693	G686-G689 PolarHBondContact O-N 2.83Å; I687-G689 VanDerWaalsContact C-N 3.3Å; I687-G689 PolarHBondContact O-N 2.83Å; G689-L691 VanDerWaalsContact C-N 3.33Å; G689-A692 PolarHBondContact O-N 2.78Å; G689-M693 WeakPolarHBondContact O-CG 3.35Å; G689-M693 PolarHBondContact O-N 3.18Å
690	V	71.6	Confident	67	Low	82 Å²	82	114 Å²	114	50%	0.497	63%	0.63	S	S	.	*	H	α-helix	trans	-65.8	-40.7	170.9	-175.4	0	0	0	0	110.2	I687 M693 L694	I687-V690 WeakPolarHBondContact O-CB 3.33Å; I687-V690 PolarHBondContact O-N 3.47Å; V690-M693 PolarHBondContact O-N 3.04Å; V690-L694 HydrophobicContact CG1-CD1 4.46Å; V690-L694 PolarHBondContact O-N 2.73Å
691	L	72.7	Confident	68.8	Low	103 Å²	103	106.3 Å²	106.3	54%	0.539	61%	0.607	S	S	.	*	H	α-helix	trans	-62.1	-41.3	173.1	-114.5	159	0	0	0	112.4	I687 W688 G689 L694 L695	I687-L691 PolarHBondContact O-N 2.87Å; I687-L691 VanDerWaalsContact O-N 3.08Å; W688-L691 WeakPolarHBondContact O-CB 3.32Å; W688-L691 PolarHBondContact O-N 2.91Å; G689-L691 VanDerWaalsContact C-N 3.33Å; L691-L694 PolarHBondContact O-N 2.8Å; L691-L695 WeakPolarHBondContact O-CB 3.31Å; L691-L695 PolarHBondContact O-N 3.31Å
692	A	73.1	Confident	70.6	Confident	56 Å²	56	105.8 Å²	105.8	46%	0.463	60%	0.596	S	S	.	*	H	α-helix	trans	-64.8	-40.3	174.6	0	0	0	0	0	112.6	W688 G689 L695 A696	W688-A692 PolarHBondContact O-N 2.71Å; G689-A692 PolarHBondContact O-N 2.78Å; A692-L695 PolarHBondContact O-N 3.36Å; A692-A696 WeakPolarHBondContact O-CB 3.39Å; A692-A696 PolarHBondContact O-N 2.98Å
693	M	74.7	Confident	72.2	Confident	145 Å²	145	104.2 Å²	104.2	71%	0.714	58%	0.577	S	S	*	*	H	α-helix	trans	-67.7	-37.6	175.5	-66.9	-136	-63.8	0	0	112.6	G689 V690 A696 F697	G689-M693 WeakPolarHBondContact O-CG 3.35Å; G689-M693 PolarHBondContact O-N 3.18Å; V690-M693 PolarHBondContact O-N 3.04Å; M693-A696 PolarHBondContact O-N 3.47Å; M693-F697 WeakPolarHBondContact O-CB 3.12Å; M693-F697 PolarHBondContact O-N 3.13Å
694	L	78.6	Confident	73.3	Confident	113 Å²	113	101.6 Å²	101.6	59%	0.592	56%	0.563	S	S	*	*	H	α-helix	trans	-63.9	-41	172.4	-80.7	166.1	0	0	0	112.1	V690 L691 F697 L698	V690-L694 HydrophobicContact CG1-CD1 4.46Å; V690-L694 PolarHBondContact O-N 2.73Å; L691-L694 PolarHBondContact O-N 2.8Å; L694-F697 PolarHBondContact O-N 3.07Å; L694-L698 WeakPolarHBondContact O-CB 3.22Å; L694-L698 PolarHBondContact O-N 2.76Å
695	L	82	Confident	74.2	Confident	112 Å²	112	100.8 Å²	100.8	59%	0.586	55%	0.55	S	S	*	.	H	α-helix	trans	-63.7	-43.4	175.4	-174.3	67.6	0	0	0	111.7	L691 A692 L698 L699	L691-L695 WeakPolarHBondContact O-CB 3.31Å; L691-L695 PolarHBondContact O-N 3.31Å; A692-L695 PolarHBondContact O-N 3.36Å; L695-L698 PolarHBondContact O-N 3.4Å; L695-L699 HydrophobicContact CG-CD1 4.34Å; L695-L699 WeakPolarHBondContact O-CB 3.47Å; L695-L699 PolarHBondContact O-N 2.64Å
696	A	76.4	Confident	74.8	Confident	57 Å²	57	100.9 Å²	100.9	47%	0.471	55%	0.546	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.9	0	0	0	0	0	112.2	A692 M693 L699 L700	A692-A696 WeakPolarHBondContact O-CB 3.39Å; A692-A696 PolarHBondContact O-N 2.98Å; M693-A696 PolarHBondContact O-N 3.47Å; A696-L699 PolarHBondContact O-N 2.94Å; A696-L700 WeakPolarHBondContact O-CB 3.31Å; A696-L700 PolarHBondContact O-N 3.21Å
697	F	80.2	Confident	74.7	Confident	138 Å²	138	104.8 Å²	104.8	61%	0.605	55%	0.55	S	S	*	.	H	α-helix	trans	-63.9	-40.9	176.3	-167.7	-97.3	0	0	0	112	M693 L694 L700 L701	M693-F697 WeakPolarHBondContact O-CB 3.12Å; M693-F697 PolarHBondContact O-N 3.13Å; L694-F697 PolarHBondContact O-N 3.07Å; F697-L700 PolarHBondContact O-N 2.91Å; F697-L701 HydrophobicContact CE1-CD1 4.15Å; F697-L701 WeakPolarHBondContact O-CB 3.32Å; F697-L701 PolarHBondContact O-N 3.37Å
698	L	80.4	Confident	74.4	Confident	120 Å²	120	103 Å²	103	63%	0.628	55%	0.545	S	S	*	.	H	α-helix	trans	-69.9	-37.3	178.6	-162.7	149.5	0	0	0	112.1	L694 L695 L701 L702	L694-L698 WeakPolarHBondContact O-CB 3.22Å; L694-L698 PolarHBondContact O-N 2.76Å; L695-L698 PolarHBondContact O-N 3.4Å; L698-L701 PolarHBondContact O-N 2.76Å; L698-L702 PolarHBondContact O-N 2.96Å
699	L	81.4	Confident	73.9	Confident	104 Å²	104	100.2 Å²	100.2	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-63.1	-41.3	169.8	-84.2	164.5	0	0	0	112.4	L695 A696 L702 L703	L695-L699 HydrophobicContact CG-CD1 4.34Å; L695-L699 WeakPolarHBondContact O-CB 3.47Å; L695-L699 PolarHBondContact O-N 2.64Å; A696-L699 PolarHBondContact O-N 2.94Å; L699-L702 WeakPolarHBondContact O-CB 3.32Å; L699-L702 PolarHBondContact O-N 2.58Å; L699-L703 WeakPolarHBondContact O-CB 3.14Å; L699-L703 PolarHBondContact O-N 3.12Å
700	L	80.2	Confident	73.4	Confident	105 Å²	105	108 Å²	108	55%	0.55	56%	0.562	S	S	.	*	H	α-helix	trans	-68.9	-35.9	178.6	-168.4	136	0	0	0	111.9	A696 F697 L703 C704	A696-L700 WeakPolarHBondContact O-CB 3.31Å; A696-L700 PolarHBondContact O-N 3.21Å; F697-L700 PolarHBondContact O-N 2.91Å; L700-L703 WeakPolarHBondContact O-CB 3.31Å; L700-L703 PolarHBondContact O-N 2.63Å; L700-C704 PolarHBondContact O-N 3.05Å; L700-C704 PolarHBondContact O-SG 3.19Å; L700-C704 VanDerWaalsContact O-SG 3.36Å
701	L	79.9	Confident	72.4	Confident	90 Å²	90	109.1 Å²	109.1	47%	0.471	57%	0.573	S	S	.	*	H	α-helix	trans	-67.6	-38.2	173.9	-151.9	159.8	0	0	0	111.4	F697 L698 C704 L705	F697-L701 HydrophobicContact CE1-CD1 4.15Å; F697-L701 WeakPolarHBondContact O-CB 3.32Å; F697-L701 PolarHBondContact O-N 3.37Å; L698-L701 PolarHBondContact O-N 2.76Å; L701-C704 PolarHBondContact O-N 3.43Å; L701-L705 HydrophobicContact CD2-CD1 3.89Å; L701-L705 HydrophobicContact CD2-CG 4.4Å; L701-L705 PolarHBondContact O-N 3.45Å
702	L	79.1	Confident	71.5	Confident	96 Å²	96	109.5 Å²	109.5	50%	0.503	58%	0.58	S	S	.	*	H	α-helix	trans	-63.1	-40.9	170.7	-165.9	102.4	0	0	0	112	L698 L699 L705 L706	L698-L702 PolarHBondContact O-N 2.96Å; L699-L702 WeakPolarHBondContact O-CB 3.32Å; L699-L702 PolarHBondContact O-N 2.58Å; L702-L705 PolarHBondContact O-N 2.73Å; L702-L706 HydrophobicContact CD2-CD1 4.32Å; L702-L706 PolarHBondContact O-N 3.27Å
703	L	77.1	Confident	70.1	Confident	91 Å²	91	112.6 Å²	112.6	48%	0.476	59%	0.593	S	S	.	*	H	α-helix	trans	-62.6	-44.7	175.7	-167.2	80.2	0	0	0	111.4	L699 L700 L705 L706 F707	L699-L703 WeakPolarHBondContact O-CB 3.14Å; L699-L703 PolarHBondContact O-N 3.12Å; L700-L703 WeakPolarHBondContact O-CB 3.31Å; L700-L703 PolarHBondContact O-N 2.63Å; L703-L705 PolarHBondContact O-N 2.74Å; L703-L706 WeakPolarHBondContact O-CB 3.29Å; L703-L706 PolarHBondContact O-N 3.04Å; L703-F707 HydrophobicContact CD1-CE2 4.27Å; L703-F707 HydrophobicContact CD2-CE2 4.17Å; L703-F707 HydrophobicContact CG-CD2 4.05Å; L703-F707 HydrophobicContact CG-CE2 3.91Å; L703-F707 WeakPolarHBondContact O-CD2 3.39Å; L703-F707 PolarHBondContact O-N 3.21Å
704	C	72.4	Confident	68.5	Low	67 Å²	67	115.6 Å²	115.6	45%	0.453	60%	0.602	S	S	.	*	H	α-helix	trans	-62.1	-40.6	175.2	-70.7	0	0	0	0	112.3	L700 L701 F707 V708	L700-C704 PolarHBondContact O-N 3.05Å; L700-C704 PolarHBondContact O-SG 3.19Å; L700-C704 VanDerWaalsContact O-SG 3.36Å; L701-C704 PolarHBondContact O-N 3.43Å; C704-F707 PolarHBondContact O-N 2.8Å; C704-V708 WeakPolarHBondContact O-CG2 3.2Å; C704-V708 PolarHBondContact O-N 2.87Å
705	L	73.6	Confident	66.8	Low	95 Å²	95	113.7 Å²	113.7	50%	0.497	61%	0.61	S	S	.	*	H	α-helix	trans	-63.3	-40.1	174.1	-78.3	165.8	0	0	0	112.2	L701 L702 L703 V708 F709	L701-L705 HydrophobicContact CD2-CD1 3.89Å; L701-L705 HydrophobicContact CD2-CG 4.4Å; L701-L705 PolarHBondContact O-N 3.45Å; L702-L705 PolarHBondContact O-N 2.73Å; L703-L705 PolarHBondContact O-N 2.74Å; L705-V708 PolarHBondContact O-N 3.28Å; L705-F709 PolarHBondContact O-N 3.43Å; L705-F709 VanDerWaalsContact O-N 3.14Å
706	L	69.5	Low	64.6	Low	110 Å²	110	118 Å²	118	58%	0.576	63%	0.627	S	S	*	*	H	α-helix	trans	-62	-44.5	173.6	-83.5	162.1	0	0	0	112.2	L702 L703 V708 F709 Y710	L702-L706 HydrophobicContact CD2-CD1 4.32Å; L702-L706 PolarHBondContact O-N 3.27Å; L703-L706 WeakPolarHBondContact O-CB 3.29Å; L703-L706 PolarHBondContact O-N 3.04Å; L706-V708 PolarHBondContact O-N 3.16Å; L706-F709 PolarHBondContact O-N 2.8Å; L706-Y710 WeakPolarHBondContact O-CB 3.04Å; L706-Y710 PolarHBondContact O-N 2.76Å
707	F	61.7	Low	62.5	Low	131 Å²	131	124.3 Å²	124.3	58%	0.575	64%	0.644	S	S	*	*	H	α-helix	trans	-63.8	-39.4	176	-86.2	-68.1	0	0	0	112.9	L703 C704 F709 Y710 C711	L703-F707 HydrophobicContact CD1-CE2 4.27Å; L703-F707 HydrophobicContact CD2-CE2 4.17Å; L703-F707 HydrophobicContact CG-CD2 4.05Å; L703-F707 HydrophobicContact CG-CE2 3.91Å; L703-F707 WeakPolarHBondContact O-CD2 3.39Å; L703-F707 PolarHBondContact O-N 3.21Å; C704-F707 PolarHBondContact O-N 2.8Å; F707-F709 VanDerWaalsContact C-N 3.32Å; F707-F709 PolarHBondContact O-N 3.19Å; F707-Y710 PolarHBondContact O-N 2.96Å; F707-C711 PolarHBondContact O-N 3.13Å; F707-C711 VanDerWaalsContact O-N 3.15Å; F707-C711 PolarHBondContact O-SG 3.24Å
708	V	63.6	Low	60.3	Low	103 Å²	103	125 Å²	125	62%	0.624	65%	0.652	S	S	*	*	H	α-helix	trans	-62.3	-37.7	176.2	169.2	0	0	0	0	111.9	C704 L705 L706	C704-V708 WeakPolarHBondContact O-CG2 3.2Å; C704-V708 PolarHBondContact O-N 2.87Å; L705-V708 PolarHBondContact O-N 3.28Å; L706-V708 PolarHBondContact O-N 3.16Å
709	F	56.8	Low	57.9	Low	163 Å²	163	129.3 Å²	129.3	72%	0.715	66%	0.662	S	S	*	*	H	α-helix	trans	-75	-28.5	173.6	-91.4	-85.6	0	0	0	113.8	L705 L706 F707 T712	L705-F709 PolarHBondContact O-N 3.43Å; L705-F709 VanDerWaalsContact O-N 3.14Å; L706-F709 PolarHBondContact O-N 2.8Å; F707-F709 VanDerWaalsContact C-N 3.32Å; F707-F709 PolarHBondContact O-N 3.19Å; F709-T712 PolarHBondContact O-OG1 3.39Å
710	Y	56.4	Low	55.2	Low	186 Å²	186	131.2 Å²	131.2	73%	0.729	67%	0.67	S	S	*	*	H	α-helix	trans	-76	-26.9	-179.1	-161.5	-101.3	0	0	0	113.1	L706 F707 T712	L706-Y710 WeakPolarHBondContact O-CB 3.04Å; L706-Y710 PolarHBondContact O-N 2.76Å; F707-Y710 PolarHBondContact O-N 2.96Å; Y710-T712 PolarHBondContact O-N 3.01Å
711	C	50.4	Low	52.8	Low	107 Å²	107	133.4 Å²	133.4	72%	0.723	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	6.7	179.8	-72.3	0	0	0	0	115.4	F707	F707-C711 PolarHBondContact O-N 3.13Å; F707-C711 VanDerWaalsContact O-N 3.15Å; F707-C711 PolarHBondContact O-SG 3.24Å
712	T	52.9	Low	50.4	Low	110 Å²	110	135.7 Å²	135.7	68%	0.675	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.3	27.3	-175.4	52.6	0	0	0	0	116.1	F709 Y710	F709-T712 PolarHBondContact O-OG1 3.39Å; Y710-T712 PolarHBondContact O-N 3.01Å
713	T	44.5	Very low	48	Very low	122 Å²	122	136.4 Å²	136.4	75%	0.748	70%	0.701	S	S	*	*	S	Bend	trans	-136.9	138.4	165.1	42.7	0	0	0	0	113.1
714	K	41.5	Very low	45.8	Very low	208 Å²	208	138 Å²	138	90%	0.904	72%	0.72	S	S	*	*			trans	-68.9	156.2	170.7	-53.5	170.4	-176.7	176.6	0	110
715	G	42.9	Very low	43.7	Very low	73 Å²	73	138.4 Å²	138.4	75%	0.753	74%	0.736	S	S	*	*			cis	119.5	115.4	-1	0	0	0	0	0	112.8
716	E	35.4	Very low	41.4	Very low	202 Å²	202	137.8 Å²	137.8	94%	0.944	75%	0.753	S	S	*	*			trans	-153.5	168.6	176.4	-128.5	159.5	-144.2	0	0	111.5
717	K	32.3	Very low	39.6	Very low	190 Å²	190	140.5 Å²	140.5	83%	0.826	76%	0.764	S	S	*	*			trans	-135.7	158.9	-171.1	-65.3	-179	176	-176.6	0	112.2
718	I	33.3	Very low	38.1	Very low	153 Å²	153	141.1 Å²	141.1	79%	0.785	77%	0.773	S	S	*	*			trans	179.3	111.7	148.5	-93.8	145.7	0	0	0	106.7
719	Y	30.4	Very low	36.7	Very low	210 Å²	210	142.9 Å²	142.9	82%	0.824	78%	0.778	S	S	*	*				68.6	143.1	95	-72.3	-66.6	0	0	0	114.3
720	M	25.6	Very low	35.3	Very low	144 Å²	144	144.2 Å²	144.2	71%	0.709	78%	0.783	S	S	*	*			cis	-145.5	162	12.1	-59.8	-177.9	92	0	0	114.4
721	E	29.2	Very low	34	Very low	150 Å²	150	140.1 Å²	140.1	70%	0.701	78%	0.782	S	S	*	*			trans	57	115.8	134.4	-71.2	165.1	-179.2	0	0	125.9
722	D	29.2	Very low	33.3	Very low	139 Å²	139	141.8 Å²	141.8	74%	0.743	78%	0.783	S	S	*	*				82.7	136.2	119.1	-80.7	41.6	0	0	0	128.4
723	C	28.5	Very low	32.2	Very low	111 Å²	111	142.5 Å²	142.5	75%	0.75	79%	0.788	S	S	*	*			trans	43.9	136.7	145.2	-64	0	0	0	0	120.3
724	S	30.6	Very low	31.6	Very low	123 Å²	123	145.7 Å²	145.7	86%	0.86	79%	0.794	S	S	*	*			cis	174.2	173.3	7.4	51.6	0	0	0	0	106.1
725	G	28.9	Very low	31.1	Very low	77 Å²	77	139.8 Å²	139.8	79%	0.794	78%	0.784	S	S	*	*			cis	173.3	153.4	-8.4	0	0	0	0	0	111.7
726	G	26.3	Very low	31.1	Very low	82 Å²	82	142.6 Å²	142.6	85%	0.845	79%	0.79	S	S	*	*			trans	81.5	170.3	168.3	0	0	0	0	0	118.6
727	M	31.4	Very low	30.8	Very low	166 Å²	166	136.4 Å²	136.4	82%	0.818	78%	0.78	S	S	*	*			cis	-169.8	171.4	-23.7	-168.7	165.7	174.7	0	0	111.2
728	L	30.8	Very low	30.8	Very low	144 Å²	144	135.3 Å²	135.3	75%	0.754	78%	0.783	S	S	*	*			trans	91.7	153.6	160.1	-53.2	174.2	0	0	0	119.1
729	L	33.1	Very low	30.8	Very low	140 Å²	140	135.1 Å²	135.1	73%	0.733	78%	0.779	S	S	*	*			cis	-172	153.7	-45.6	-129.9	-177.8	0	0	0	112
730	K	27	Very low	30.6	Very low	192 Å²	192	132.3 Å²	132.3	84%	0.835	78%	0.783	S	S	*	*			trans	168.1	119.3	146.9	-94.7	175.5	-179.6	179.7	0	108.8
731	S	30.5	Very low	30.6	Very low	99 Å²	99	133 Å²	133	69%	0.692	78%	0.782	S	S	*	*				76.1	135.9	67.4	75.8	0	0	0	0	114.3
732	N	34.7	Very low	30.4	Very low	142 Å²	142	131.7 Å²	131.7	76%	0.759	79%	0.789	S	S	*	*			cis	-148.3	168	3.9	58.9	-14.8	0	0	0	110
733	T	31.1	Very low	30.1	Very low	126 Å²	126	129.4 Å²	129.4	77%	0.773	79%	0.79	S	S	*	*				-158.6	171.4	72.3	42.4	0	0	0	0	114.5
734	E	31.1	Very low	29.9	Very low	188 Å²	188	128.2 Å²	128.2	88%	0.879	79%	0.788	S	S	*	*			trans	-76.3	170.8	-168.5	-71.4	167.4	111.7	0	0	117.4
735	A	31.1	Very low	29.5	Very low	84 Å²	84	129.2 Å²	129.2	69%	0.694	78%	0.783	S	S	*	*			cis	176.2	-168	-22.6	0	0	0	0	0	107.5
736	P	42.5	Very low	29.3	Very low	133 Å²	133	132.9 Å²	132.9	86%	0.864	78%	0.784	S	S	*	*			cis	-120.9	179.2	-30.5	39.3	-25.5	0	0	0	112.7
737	G	29.8	Very low	29.1	Very low	71 Å²	71	136.2 Å²	136.2	73%	0.732	78%	0.78	S	S	*	*			trans	118	56.9	155.6	0	0	0	0	0	118.6
738	D	31.5	Very low	28.8	Very low	168 Å²	168	134.7 Å²	134.7	90%	0.898	78%	0.78	S	S	*	*			trans	45.4	113	150.8	-56.5	-14	0	0	0	121.4
739	E	33.7	Very low	28.8	Very low	149 Å²	149	133.2 Å²	133.2	70%	0.696	78%	0.779	S	S	*	*			trans	-71.9	152.8	166.5	-47.8	176.7	167.3	0	0	112.8	K741	E739-K741 WeakPolarHBondContact OE2-CE 3.39Å; E739-K741 IonicContact OE2-NZ 3.1Å
740	V	26.9	Very low	28.4	Very low	150 Å²	150	131.5 Å²	131.5	91%	0.909	78%	0.779	S	S	*	*			trans	-133	133.8	132.3	-175.3	0	0	0	0	109.7
741	K	25.1	Very low	28.3	Very low	158 Å²	158	129.2 Å²	129.2	69%	0.687	78%	0.781	S	S	*	*			trans	-79.8	152.1	179.1	-61	153.1	-174.3	157.6	0	110.8	E739	E739-K741 WeakPolarHBondContact OE2-CE 3.39Å; E739-K741 IonicContact OE2-NZ 3.1Å
742	S	24.9	Very low	28.1	Very low	123 Å²	123	128.3 Å²	128.3	86%	0.86	79%	0.787	S	S	*	*				172.6	158	111.4	-76.8	0	0	0	0	112.2
743	A	23.6	Very low	27.6	Very low	91 Å²	91	128.7 Å²	128.7	75%	0.752	80%	0.795	S	S	*	*			trans	-96.1	160.5	175.6	0	0	0	0	0	111.8
744	A	23.1	Very low	27.3	Very low	86 Å²	86	126.8 Å²	126.8	71%	0.711	79%	0.792	S	S	*	*			trans	47	141.2	136.6	0	0	0	0	0	121.3
745	L	23.6	Very low	27	Very low	145 Å²	145	124.2 Å²	124.2	76%	0.759	79%	0.788	S	S	*	*			cis	-171.3	145.5	-2.6	-111	170.2	0	0	0	108.1
746	L	23.1	Very low	26.8	Very low	154 Å²	154	126.6 Å²	126.6	81%	0.806	79%	0.789	S	S	*	*			trans	65.8	169.1	159.4	-54.5	162.1	0	0	0	115.2
747	I	23.4	Very low	26	Very low	151 Å²	151	125.4 Å²	125.4	77%	0.774	78%	0.78	S	S	*	*			cis	-129.5	148.2	9.4	-66.9	168.3	0	0	0	110.4
748	V	23.6	Very low	25.9	Very low	135 Å²	135	128.3 Å²	128.3	82%	0.818	78%	0.783	S	S	*	*			trans	-105.5	139.7	165.5	173.2	0	0	0	0	108.8
749	P	31.6	Very low	25.6	Very low	112 Å²	112	128 Å²	128	73%	0.727	78%	0.781	S	S	*	*			trans	-97.7	165.8	-159.7	38.3	-38	0	0	0	115.2
750	S	24.8	Very low	25.2	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	77%	0.773	S	S	*	*			trans	-166.5	124.1	151.8	49.5	0	0	0	0	114.3
751	T	25.3	Very low	25.2	Very low	145 Å²	145	121.9 Å²	121.9	89%	0.89	77%	0.77	S	S	*	*			trans	35.3	134.6	136.5	63.3	0	0	0	0	122.6
752	G	25.4	Very low	25.5	Very low	79 Å²	79	121 Å²	121	81%	0.814	78%	0.777	S	S	*	*			trans	179.5	146.6	159.5	0	0	0	0	0	113.7
753	V	24	Very low	25.6	Very low	151 Å²	151	124.5 Å²	124.5	92%	0.915	78%	0.777	S	S	*	*			trans	-132.3	144.8	-178.3	173.8	0	0	0	0	110.6
754	A	25.7	Very low	25.8	Very low	86 Å²	86	124 Å²	124	71%	0.711	78%	0.78	S	S	*	*			trans	128.8	123.1	173.4	0	0	0	0	0	110
755	V	25.3	Very low	26	Very low	133 Å²	133	125 Å²	125	81%	0.806	79%	0.788	S	S	*	*				68.2	122.5	68.7	177.1	0	0	0	0	110.1
756	D	26.2	Very low	26.2	Very low	134 Å²	134	121.6 Å²	121.6	72%	0.717	79%	0.789	S	S	*	*			cis	-158.2	172.1	40.7	-147.1	-14.1	0	0	0	116.1
757	T	25.6	Very low	26.4	Very low	108 Å²	108	122 Å²	122	66%	0.663	79%	0.791	S	S	*	*			trans	51.9	118.9	157.9	45.6	0	0	0	0	121.3
758	V	28.2	Very low	26.5	Very low	133 Å²	133	121.2 Å²	121.2	81%	0.806	79%	0.793	S	S	*	*				70.4	128.9	75.1	170.7	0	0	0	0	113.2
759	D	25.2	Very low	26.7	Very low	160 Å²	160	117.6 Å²	117.6	86%	0.856	78%	0.783	S	S	*	*			cis	-144.3	-167	10.1	-149.4	23.6	0	0	0	109.8
760	G	25.8	Very low	26.5	Very low	51 Å²	51	119.9 Å²	119.9	53%	0.526	79%	0.788	S	S	.	*			cis	167.5	163.6	3.8	0	0	0	0	0	115
761	S	25.7	Very low	26.8	Very low	121 Å²	121	121.8 Å²	121.8	85%	0.846	79%	0.789	S	S	*	*			trans	68.4	156.3	174.4	-134.7	0	0	0	0	116.1
762	V	31.6	Very low	27	Very low	138 Å²	138	120.7 Å²	120.7	84%	0.836	78%	0.778	S	S	*	*			cis	-136.5	165.7	25.4	177.3	0	0	0	0	112.2
763	K	26.8	Very low	27.5	Very low	198 Å²	198	123.5 Å²	123.5	86%	0.861	77%	0.77	S	S	*	*			trans	-96.9	143	-173.3	-60.8	173.2	176.8	175.3	0	116.2
764	G	26.9	Very low	27.7	Very low	79 Å²	79	123.3 Å²	123.3	81%	0.814	76%	0.764	S	S	*	*			trans	79.3	171.6	134.1	0	0	0	0	0	119.7
765	A	27.7	Very low	27.8	Very low	107 Å²	107	122.8 Å²	122.8	88%	0.884	77%	0.767	S	S	*	*			cis	-169.1	153.2	-14.1	0	0	0	0	0	112.5
766	G	28.3	Very low	28	Very low	75 Å²	75	121.6 Å²	121.6	77%	0.773	77%	0.771	S	S	*	*			trans	88.6	162.8	166.9	0	0	0	0	0	116.6
767	L	27.4	Very low	28.1	Very low	163 Å²	163	118.4 Å²	118.4	85%	0.853	77%	0.77	S	S	*	*			cis	-160.3	142.7	-3.4	-166.2	70.8	0	0	0	112.7
768	V	25.8	Very low	28.2	Very low	134 Å²	134	119.3 Å²	119.3	81%	0.812	78%	0.779	S	S	*	*			trans	2	145.2	154	-171.8	0	0	0	0	119.5
769	G	27.7	Very low	29	Very low	59 Å²	59	118.9 Å²	118.9	61%	0.608	78%	0.779	S	S	*	*			cis	155.6	-144.9	3.4	0	0	0	0	0	113.8
770	L	27.2	Very low	29.6	Very low	159 Å²	159	115.4 Å²	115.4	83%	0.832	77%	0.773	S	S	*	*			trans	80.9	123	-169.2	-64.4	117.2	0	0	0	114.7
771	L	30.6	Very low	30.2	Very low	144 Å²	144	119.3 Å²	119.3	75%	0.754	79%	0.789	S	S	*	*			cis	90.5	133.8	45.7	-75.6	167.2	0	0	0	112.1
772	D	30.8	Very low	30.3	Very low	122 Å²	122	116.9 Å²	116.9	65%	0.652	78%	0.783	S	S	*	*			cis	-157.2	-174.3	0.9	-150.8	13.8	0	0	0	107.9
773	Q	34.4	Very low	31.6	Very low	139 Å²	139	116.4 Å²	116.4	65%	0.65	78%	0.782	S	S	*	*			cis	-163	166	10.3	-165.6	168.6	90.4	0	0	111.6
774	N	29.6	Very low	33	Very low	147 Å²	147	112.1 Å²	112.1	79%	0.786	78%	0.775	S	S	*	*			trans	82.2	132	167	-58.3	-64.1	0	0	0	116.7
775	G	28	Very low	33	Very low	74 Å²	74	115.8 Å²	115.8	76%	0.763	78%	0.775	S	S	*	*			cis	137.1	135.4	7.2	0	0	0	0	0	109.4
776	A	29.2	Very low	33.1	Very low	108 Å²	108	118.7 Å²	118.7	89%	0.893	77%	0.774	S	S	*	*			cis	-160.6	164.4	2.2	0	0	0	0	0	112.5
777	G	27.6	Very low	33.1	Very low	67 Å²	67	118.8 Å²	118.8	69%	0.691	78%	0.775	S	S	*	*			trans	76.1	104.3	158.2	0	0	0	0	0	117.6
778	C	28.3	Very low	33.2	Very low	127 Å²	127	119.8 Å²	119.8	86%	0.858	78%	0.775	S	S	*	*			cis	70.9	141.4	46.5	-54.6	0	0	0	0	115.8
779	P	44.1	Very low	33.2	Very low	124 Å²	124	121.5 Å²	121.5	81%	0.805	77%	0.772	S	S	*	*			cis	-139.1	179.7	-32.6	40.1	-23.4	0	0	0	114
780	A	38.4	Very low	33.1	Very low	88 Å²	88	123.9 Å²	123.9	73%	0.727	77%	0.774	S	S	*	*			trans	-78.6	169.7	166.4	0	0	0	0	0	112.7
781	P	37.5	Very low	33.1	Very low	133 Å²	133	123 Å²	123	86%	0.864	77%	0.769	S	S	*	*				-145	-174.9	113	40.1	-25.7	0	0	0	114.9
782	G	28.7	Very low	33	Very low	70 Å²	70	122.4 Å²	122.4	72%	0.722	77%	0.767	S	S	*	*			trans	-99.3	-155.5	-170.7	0	0	0	0	0	117.9
783	P	58.2	Low	32.9	Very low	127 Å²	127	123.2 Å²	123.2	83%	0.825	77%	0.77	S	S	*	*			trans	-94.6	-165	-160.8	44.3	-42.5	0	0	0	112.6
784	P	56.5	Low	32.6	Very low	108 Å²	108	123.4 Å²	123.4	70%	0.701	78%	0.776	S	S	*	*			cis	-142.7	-158.3	5.2	43.5	-22	0	0	0	116.4
785	L	27.1	Very low	32.6	Very low	157 Å²	157	127.2 Å²	127.2	82%	0.822	78%	0.779	S	S	*	*			trans	90.8	169.7	151.1	-86.7	169.1	0	0	0	121.9
786	I	30.6	Very low	32.6	Very low	167 Å²	167	132.2 Å²	132.2	86%	0.856	78%	0.783	S	S	*	*			trans	-91.4	142	-156.7	-64.3	159.1	0	0	0	112.7
787	G	27.3	Very low	32.6	Very low	77 Å²	77	132.2 Å²	132.2	79%	0.794	78%	0.776	S	S	*	*			trans	-163.5	157.5	171	0	0	0	0	0	113.3
788	Q	29.7	Very low	32.5	Very low	184 Å²	184	133.5 Å²	133.5	86%	0.86	77%	0.774	S	S	*	*			trans	-122.1	152.4	-173.6	-162	-173.7	36.3	0	0	112
789	K	26.5	Very low	32.4	Very low	171 Å²	171	137.6 Å²	137.6	74%	0.743	77%	0.772	S	S	*	*			trans	88.3	111	152.4	-115.2	-178.7	-179.1	178.8	0	120.5
790	T	24.5	Very low	31.4	Very low	108 Å²	108	141.3 Å²	141.3	66%	0.663	77%	0.77	S	S	*	*			trans	80	126.8	131	37.4	0	0	0	0	124.2
791	I	27.6	Very low	30.8	Very low	141 Å²	141	142.6 Å²	142.6	72%	0.723	77%	0.765	S	S	*	*			trans	75.5	111.6	142.4	-62.4	162.6	0	0	0	115.4
792	N	27.6	Very low	30.2	Very low	131 Å²	131	145.2 Å²	145.2	70%	0.701	76%	0.763	S	S	*	*				-164.6	154.8	75.7	-127.8	-20.6	0	0	0	114.4
793	L	29.3	Very low	30	Very low	139 Å²	139	148.3 Å²	148.3	73%	0.728	76%	0.762	S	S	*	*			trans	51.5	130.7	155.3	-56.3	166.5	0	0	0	118.5
794	N	28.3	Very low	28.6	Very low	144 Å²	144	149.2 Å²	149.2	77%	0.77	77%	0.766	S	S	*	*			cis	-160.8	171.2	17.5	-132.2	-14.4	0	0	0	112.9
795	R	30.4	Very low	27.1	Very low	226 Å²	226	148.1 Å²	148.1	85%	0.853	77%	0.765	S	S	*	*			trans	84	77.6	161.6	-150.2	173.7	-163.8	-176.5	4.4	119.8
796	E	27.9	Very low	27	Very low	179 Å²	179	150.3 Å²	150.3	84%	0.836	77%	0.772	S	S	*	*				14	151.4	111.1	-69.1	-176.9	151.4	0	0	120.4
797	S	28.1	Very low	26.9	Very low	108 Å²	108	145.8 Å²	145.8	76%	0.755	77%	0.766	S	S	*	*			cis	-168.9	169.2	-10.3	-174.5	0	0	0	0	111.4
798	S	25.2	Very low	26.7	Very low	94 Å²	94	151.1 Å²	151.1	66%	0.657	77%	0.77	S	S	*	*			trans	-21.5	124.4	170.2	-175	0	0	0	0	120.1
799	R	26.5	Very low	26.5	Very low	213 Å²	213	148 Å²	148	80%	0.804	77%	0.769	S	S	*	*				20.2	107.7	116.5	-176.8	-164.4	-168.2	179.6	7	116.9
800	R	24.5	Very low	26.3	Very low	202 Å²	202	144 Å²	144	76%	0.762	76%	0.762	S	S	*	*				174.1	139.1	120.9	-94.9	-166.7	179.1	113.1	-2.8	113.9
801	D	24.6	Very low	26.2	Very low	116 Å²	116	147.5 Å²	147.5	62%	0.62	77%	0.768	S	S	*	*			trans	26.9	125.5	136.1	-31.5	-36.9	0	0	0	120.6
802	F	24.6	Very low	26.1	Very low	187 Å²	187	151.2 Å²	151.2	82%	0.82	78%	0.775	S	S	*	*				172.7	154.7	101.3	-101.7	-55.1	0	0	0	117.1
803	L	25.5	Very low	25.8	Very low	135 Å²	135	149.7 Å²	149.7	71%	0.707	78%	0.775	S	S	*	*			trans	54.8	120.1	144.5	-71.6	164.1	0	0	0	122.6
804	T	27.9	Very low	25.6	Very low	147 Å²	147	149.5 Å²	149.5	90%	0.902	78%	0.779	S	S	*	*				-131.4	159.4	115.4	48.9	0	0	0	0	109.9
805	A	25.8	Very low	25.4	Very low	84 Å²	84	146.1 Å²	146.1	69%	0.694	78%	0.778	S	S	*	*			trans	-160.8	143.7	179.1	0	0	0	0	0	111.5
806	Q	25.7	Very low	25.3	Very low	204 Å²	204	142.6 Å²	142.6	95%	0.953	77%	0.771	S	S	*	*			trans	172.1	157.4	148.6	-101.6	172.9	-1.7	0	0	112.4
807	G	26.9	Very low	25.2	Very low	71 Å²	71	143.8 Å²	143.8	73%	0.732	77%	0.77	S	S	*	*			trans	77	94.9	171.5	0	0	0	0	0	114.7
808	Q	24	Very low	25.1	Very low	189 Å²	189	142 Å²	142	88%	0.883	77%	0.769	S	S	*	*			cis	77.6	97.2	28.8	-152.3	-176.3	25.2	0	0	115.2
809	S	24.6	Very low	25.1	Very low	120 Å²	120	141.9 Å²	141.9	84%	0.839	78%	0.782	S	S	*	*			trans	-149	148.9	156.2	62.3	0	0	0	0	109.3
810	S	23.8	Very low	25	Very low	85 Å²	85	134.9 Å²	134.9	59%	0.594	78%	0.776	S	S	*	*			trans	-153.5	153	-165.1	-50.4	0	0	0	0	113.6
811	F	22.5	Very low	25.1	Very low	183 Å²	183	132.6 Å²	132.6	80%	0.803	78%	0.779	S	S	*	*			trans	67.8	152.3	173.7	-55.8	-75.6	0	0	0	115.2
812	Y	23.9	Very low	25.2	Very low	218 Å²	218	136.5 Å²	136.5	86%	0.855	79%	0.791	S	S	*	*			cis	-118.8	157.9	19.5	-71.3	-105.3	0	0	0	111.1
813	S	22.3	Very low	25.2	Very low	100 Å²	100	137.1 Å²	137.1	70%	0.699	79%	0.789	S	S	*	*				60.1	131	56.4	-159.2	0	0	0	0	112.3
814	T	23.6	Very low	25.3	Very low	135 Å²	135	136.7 Å²	136.7	83%	0.828	79%	0.792	S	S	*	*			cis	-124.4	174.5	39.1	48.6	0	0	0	0	112.8
815	G	25.4	Very low	25.1	Very low	72 Å²	72	136.3 Å²	136.3	74%	0.742	79%	0.785	S	S	*	*			cis	108.8	151	26.4	0	0	0	0	0	109.7
816	Q	28.4	Very low	25.2	Very low	152 Å²	152	138.6 Å²	138.6	71%	0.71	79%	0.79	S	S	*	*			cis	-168.8	155.7	0.1	-145	178.8	0.7	0	0	105.7
817	Y	25.1	Very low	25.7	Very low	205 Å²	205	134.5 Å²	134.5	80%	0.804	78%	0.779	S	S	*	*			cis	-131.6	-162.6	10.9	-75.2	-99.7	0	0	0	108.3
818	G	25.4	Very low	26.1	Very low	71 Å²	71	140.5 Å²	140.5	73%	0.732	79%	0.786	S	S	*	*			cis	-175.9	139.6	-7.9	0	0	0	0	0	107.4
819	G	25.7	Very low	26.6	Very low	90 Å²	90	139.1 Å²	139.1	93%	0.928	78%	0.784	S	S	*	*				84.9	118.2	69.1	0	0	0	0	0	111
820	G	25.8	Very low	26.9	Very low	67 Å²	67	142.3 Å²	142.3	69%	0.691	78%	0.782	S	S	*	*			cis	172.4	175.2	-2.3	0	0	0	0	0	112.3
821	N	25.8	Very low	27.2	Very low	153 Å²	153	147.8 Å²	147.8	82%	0.818	80%	0.798	S	S	*	*			trans	69.3	138.7	-178.1	-53.6	-18.6	0	0	0	114.6
822	F	26.4	Very low	27.8	Very low	199 Å²	199	142.6 Å²	142.6	87%	0.873	79%	0.785	S	S	*	*			cis	-137.1	166.6	37.6	-117.2	-98.1	0	0	0	115.1
823	Y	25.6	Very low	28.3	Very low	199 Å²	199	139.6 Å²	139.6	78%	0.78	78%	0.779	S	S	*	*			trans	-85.6	156.3	165.4	-79.5	-133.5	0	0	0	109.3
824	T	26.7	Very low	28.9	Very low	126 Å²	126	139.3 Å²	139.3	77%	0.773	78%	0.782	S	S	*	*			cis	-160.1	-178.7	-8.5	21.4	0	0	0	0	105.5
825	D	24.6	Very low	29.4	Very low	139 Å²	139	137 Å²	137	74%	0.743	77%	0.772	S	S	*	*			cis	-148.7	-159	17.4	-169	3.8	0	0	0	108.5
826	T	26.5	Very low	30	Very low	132 Å²	132	137.2 Å²	137.2	81%	0.81	76%	0.762	S	S	*	*			trans	90.8	113.5	175.4	67.4	0	0	0	0	116.4
827	T	36.2	Very low	30.5	Very low	119 Å²	119	135.2 Å²	135.2	73%	0.73	76%	0.76	S	S	*	*			trans	-77.8	173.1	164.6	45.9	0	0	0	0	111.1
828	F	35.2	Very low	31.1	Very low	197 Å²	197	131.8 Å²	131.8	86%	0.864	76%	0.755	S	S	*	*			trans	66.1	88.4	179.6	-66.6	-90	0	0	0	116.7
829	L	35.1	Very low	31.8	Very low	160 Å²	160	131.4 Å²	131.4	84%	0.838	74%	0.741	S	S	*	*			trans	170.9	91.9	130.2	-94.7	163.8	0	0	0	111.1
830	K	30.8	Very low	32.2	Very low	186 Å²	186	129.6 Å²	129.6	81%	0.809	72%	0.717	S	S	*	*			trans	-164.9	64.1	163.9	-118.9	163.2	-171.5	175.6	0	115.3
831	Q	31	Very low	32.8	Very low	200 Å²	200	132.3 Å²	132.3	94%	0.935	72%	0.715	S	S	*	*	S	Bend	trans	-141.2	35.2	166.9	-158	173.5	-9.2	0	0	112.3
832	S	34	Very low	33.4	Very low	74 Å²	74	129.7 Å²	129.7	52%	0.517	70%	0.698	S	S	.	*			trans	-124.5	-11.5	-173	52.2	0	0	0	0	115.4	A834	S832-A834 VanDerWaalsContact C-N 3.35Å; S832-A834 PolarHBondContact O-N 3.48Å
833	Q	35.7	Very low	34	Very low	155 Å²	155	123.8 Å²	123.8	72%	0.724	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	18.7	-171.4	-69.2	-171.1	-66.1	0	0	115.5
834	A	33.4	Very low	34.4	Very low	94 Å²	94	124.5 Å²	124.5	78%	0.777	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.7	-9.9	168.6	0	0	0	0	0	113.4	S832	S832-A834 VanDerWaalsContact C-N 3.35Å; S832-A834 PolarHBondContact O-N 3.48Å
835	S	35.8	Very low	34.8	Very low	87 Å²	87	126 Å²	126	61%	0.608	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-26	-174.2	178	0	0	0	0	113.6	T837 L838	S835-T837 VanDerWaalsContact C-N 3.34Å; S835-T837 PolarHBondContact O-N 3.07Å; S835-L838 PolarHBondContact O-N 3.15Å
836	S	36.8	Very low	35.6	Very low	76 Å²	76	122.1 Å²	122.1	53%	0.531	66%	0.657	S	S	.	*	H	α-helix	trans	-74.8	-12.3	-169.1	55.5	0	0	0	0	116.1
837	T	38.7	Very low	36.1	Very low	110 Å²	110	120.1 Å²	120.1	68%	0.675	64%	0.641	S	S	*	*	H	α-helix	trans	-90	-27.5	176.4	44.3	0	0	0	0	112.7	S835	S835-T837 VanDerWaalsContact C-N 3.34Å; S835-T837 PolarHBondContact O-N 3.07Å
838	L	38.1	Very low	36	Very low	133 Å²	133	116.6 Å²	116.6	70%	0.696	63%	0.629	S	S	*	*	H	α-helix	trans	-78.9	-41.3	-178.4	-146.1	76.1	0	0	0	111.6	S835 A840 L841 H842	S835-L838 PolarHBondContact O-N 3.15Å; L838-A840 PolarHBondContact O-N 3.42Å; L838-L841 PolarHBondContact O-N 3.3Å; L838-H842 PolarHBondContact O-N 3.06Å
839	S	39.3	Very low	36.3	Very low	64 Å²	64	112.1 Å²	112.1	45%	0.448	61%	0.613	S	S	.	*	H	α-helix	trans	-59.8	-46.7	178	55.3	0	0	0	0	112.2	L841 H842 T843	S839-L841 VanDerWaalsContact C-N 3.34Å; S839-L841 PolarHBondContact O-N 3.43Å; S839-H842 WeakPolarHBondContact O-CB 3.39Å; S839-H842 PolarHBondContact O-N 3.35Å; S839-H842 VanDerWaalsContact O-N 3.12Å; S839-T843 PolarHBondContact O-N 3.25Å; S839-T843 PolarHBondContact O-OG1 2.85Å
840	A	36	Very low	36.7	Very low	51 Å²	51	108.9 Å²	108.9	42%	0.421	59%	0.591	S	S	.	*	H	α-helix	trans	-58.9	-42.4	178.3	0	0	0	0	0	112.6	L838 H842 W844	L838-A840 PolarHBondContact O-N 3.42Å; A840-H842 VanDerWaalsContact C-N 3.33Å; A840-H842 PolarHBondContact O-N 3.05Å; A840-W844 PolarHBondContact O-N 3.47Å
841	L	37.7	Very low	37.1	Very low	124 Å²	124	105.3 Å²	105.3	65%	0.649	58%	0.579	S	S	*	*	H	α-helix	trans	-65.9	-37.7	176.9	-163.5	76.6	0	0	0	111.7	L838 S839 K845	L838-L841 PolarHBondContact O-N 3.3Å; S839-L841 VanDerWaalsContact C-N 3.34Å; S839-L841 PolarHBondContact O-N 3.43Å; L841-K845 PolarHBondContact O-N 3.06Å
842	H	37.8	Very low	37.5	Very low	98 Å²	98	97.6 Å²	97.6	45%	0.454	55%	0.554	S	S	.	*	H	α-helix	trans	-65	-48.9	177.7	-155.4	-40.8	0	0	0	111.8	L838 S839 A840 W844 K845 T846	L838-H842 PolarHBondContact O-N 3.06Å; S839-H842 WeakPolarHBondContact O-CB 3.39Å; S839-H842 PolarHBondContact O-N 3.35Å; S839-H842 VanDerWaalsContact O-N 3.12Å; A840-H842 VanDerWaalsContact C-N 3.33Å; A840-H842 PolarHBondContact O-N 3.05Å; H842-W844 PolarHBondContact O-N 2.84Å; H842-K845 PolarHBondContact O-N 3.32Å; H842-K845 VanDerWaalsContact O-N 3.12Å; H842-T846 PolarHBondContact ND1-OG1 3.44Å; H842-T846 PolarHBondContact O-N 3.09Å; H842-T846 PolarHBondContact O-OG1 3.12Å; H842-T846 VanDerWaalsContact O-OG1 3.06Å
843	T	39.8	Very low	38	Very low	75 Å²	75	98.4 Å²	98.4	46%	0.46	55%	0.548	S	S	.	.	H	α-helix	trans	-58.6	-35.8	-179.2	-48.9	0	0	0	0	112.3	S839 N847	S839-T843 PolarHBondContact O-N 3.25Å; S839-T843 PolarHBondContact O-OG1 2.85Å; T843-N847 WeakPolarHBondContact O-CB 3.47Å; T843-N847 VanDerWaalsContact O-CG 3.3Å; T843-N847 PolarHBondContact O-N 2.98Å; T843-N847 PolarHBondContact O-ND2 3.39Å
844	W	33.1	Very low	38.4	Very low	215 Å²	215	94.1 Å²	94.1	81%	0.814	53%	0.527	S	S	*	.	H	α-helix	trans	-71	-38.5	177.7	-78.2	58.5	0	0	0	112.6	A840 H842 G848	A840-W844 PolarHBondContact O-N 3.47Å; H842-W844 PolarHBondContact O-N 2.84Å; W844-G848 PolarHBondContact O-N 3.01Å
845	K	36.2	Very low	38.8	Very low	157 Å²	157	95.7 Å²	95.7	68%	0.683	52%	0.522	S	S	*	.	H	α-helix	trans	-62.3	-47.6	170.6	-88.3	-169.8	171.1	-171.5	0	111.8	L841 H842 N847 G848 L849	L841-K845 PolarHBondContact O-N 3.06Å; H842-K845 PolarHBondContact O-N 3.32Å; H842-K845 VanDerWaalsContact O-N 3.12Å; K845-N847 PolarHBondContact O-N 3.32Å; K845-G848 PolarHBondContact O-N 2.98Å; K845-L849 PolarHBondContact O-N 3.22Å
846	T	41.5	Very low	39.1	Very low	58 Å²	58	96.9 Å²	96.9	36%	0.356	53%	0.525	S	S	.	.	H	α-helix	trans	-60.5	-44.5	-179.9	-50.6	0	0	0	0	111.1	H842 G848 L849 Y850	H842-T846 PolarHBondContact ND1-OG1 3.44Å; H842-T846 PolarHBondContact O-N 3.09Å; H842-T846 PolarHBondContact O-OG1 3.12Å; H842-T846 VanDerWaalsContact O-OG1 3.06Å; T846-G848 PolarHBondContact O-N 3.4Å; T846-L849 PolarHBondContact O-N 3.06Å; T846-Y850 VanDerWaalsContact O-CB 3.23Å; T846-Y850 WeakPolarHBondContact O-CB 3.35Å; T846-Y850 PolarHBondContact O-N 3.47Å
847	N	37.2	Very low	39.3	Very low	89 Å²	89	100.2 Å²	100.2	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-37.4	176.1	-75.6	-23.4	0	0	0	113.4	T843 K845 Y850 L851	T843-N847 WeakPolarHBondContact O-CB 3.47Å; T843-N847 VanDerWaalsContact O-CG 3.3Å; T843-N847 PolarHBondContact O-N 2.98Å; T843-N847 PolarHBondContact O-ND2 3.39Å; K845-N847 PolarHBondContact O-N 3.32Å; N847-Y850 PolarHBondContact O-N 3.34Å; N847-L851 PolarHBondContact O-N 3.45Å
848	G	34	Very low	39.5	Very low	45 Å²	45	101.5 Å²	101.5	46%	0.464	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-45.2	175.3	0	0	0	0	0	112.8	W844 K845 T846 L851 G852	W844-G848 PolarHBondContact O-N 3.01Å; K845-G848 PolarHBondContact O-N 2.98Å; T846-G848 PolarHBondContact O-N 3.4Å; G848-L851 PolarHBondContact O-N 2.97Å; G848-G852 PolarHBondContact O-N 2.96Å
849	L	41.3	Very low	39.3	Very low	103 Å²	103	99.3 Å²	99.3	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-67	-36.3	174.9	-75.9	165.1	0	0	0	112.3	K845 T846 G852 K853	K845-L849 PolarHBondContact O-N 3.22Å; T846-L849 PolarHBondContact O-N 3.06Å; L849-G852 PolarHBondContact O-N 3.12Å; L849-K853 WeakPolarHBondContact O-CB 3.08Å; L849-K853 WeakPolarHBondContact O-CG 3.43Å; L849-K853 PolarHBondContact O-N 3.34Å
850	Y	42.9	Very low	39.1	Very low	93 Å²	93	102.3 Å²	102.3	37%	0.365	54%	0.536	S	S	.	.	H	α-helix	trans	-61.8	-44.2	174.2	-175.4	-93.6	0	0	0	111.2	T846 N847 K854	T846-Y850 VanDerWaalsContact O-CB 3.23Å; T846-Y850 WeakPolarHBondContact O-CB 3.35Å; T846-Y850 PolarHBondContact O-N 3.47Å; N847-Y850 PolarHBondContact O-N 3.34Å; Y850-K854 HydrophobicContact CD1-CD 4.32Å; Y850-K854 HydrophobicContact CE1-CD 3.86Å; Y850-K854 WeakPolarHBondContact O-CB 3.42Å; Y850-K854 PolarHBondContact O-N 3.01Å; Y850-K854 PolarHBondContact OH-NZ 2.95Å
851	L	39.3	Very low	39.1	Very low	110 Å²	110	109.3 Å²	109.3	58%	0.576	56%	0.56	S	S	*	*	H	α-helix	trans	-63.7	-43.7	172.7	-84.1	160.8	0	0	0	112.7	N847 G848 K854 L855	N847-L851 PolarHBondContact O-N 3.45Å; G848-L851 PolarHBondContact O-N 2.97Å; L851-K854 PolarHBondContact O-N 3.24Å; L851-L855 PolarHBondContact O-N 3.5Å; L851-L855 VanDerWaalsContact O-N 3.12Å
852	G	39.7	Very low	39.1	Very low	39 Å²	39	108.2 Å²	108.2	40%	0.402	56%	0.562	S	S	.	*	H	α-helix	trans	-61.5	-49	177.4	0	0	0	0	0	113.3	G848 L849 K854 L855	G848-G852 PolarHBondContact O-N 2.96Å; L849-G852 PolarHBondContact O-N 3.12Å; G852-K854 VanDerWaalsContact C-N 3.26Å; G852-K854 PolarHBondContact O-N 3.38Å; G852-L855 PolarHBondContact O-N 3.12Å
853	K	43.4	Very low	38.9	Very low	91 Å²	91	111.5 Å²	111.5	40%	0.396	58%	0.578	S	S	.	*	H	α-helix	trans	-60.8	-34.8	174.5	-73.4	177.2	177.9	175	0	111.6	E241 L849 Y857	E241-K853 IonicContact OE1-NZ 2.84Å; L849-K853 WeakPolarHBondContact O-CB 3.08Å; L849-K853 WeakPolarHBondContact O-CG 3.43Å; L849-K853 PolarHBondContact O-N 3.34Å; K853-Y857 WeakPolarHBondContact O-CD2 3.39Å
854	K	43.6	Very low	39	Very low	65 Å²	65	117 Å²	117	28%	0.283	60%	0.599	S	S	.	*	H	α-helix	trans	-73	-30.7	-177.3	-170.3	149.9	-156.9	166.5	0	113.9	L146 Y850 L851 G852 V856 Y857 F858	L146-K854 HydrophobicContact CD1-CB 3.79Å; L146-K854 HydrophobicContact CD1-CD 3.52Å; L146-K854 HydrophobicContact CD1-CG 3.57Å; Y850-K854 HydrophobicContact CD1-CD 4.32Å; Y850-K854 HydrophobicContact CE1-CD 3.86Å; Y850-K854 WeakPolarHBondContact O-CB 3.42Å; Y850-K854 PolarHBondContact O-N 3.01Å; Y850-K854 PolarHBondContact OH-NZ 2.95Å; L851-K854 PolarHBondContact O-N 3.24Å; G852-K854 VanDerWaalsContact C-N 3.26Å; G852-K854 PolarHBondContact O-N 3.38Å; K854-V856 VanDerWaalsContact C-N 3.35Å; K854-V856 PolarHBondContact O-N 3.06Å; K854-Y857 PolarHBondContact O-N 3.38Å; K854-F858 HydrophobicContact CG-CE2 3.93Å; K854-F858 HydrophobicContact CG-CZ 4.04Å; K854-F858 WeakPolarHBondContact O-CD2 3.23Å; K854-F858 WeakPolarHBondContact O-CE2 3.41Å
855	L	43.3	Very low	39	Very low	126 Å²	126	117.2 Å²	117.2	66%	0.66	60%	0.599	S	S	*	*	H	α-helix	trans	-60.8	-38.5	178.1	-86.7	159.2	0	0	0	113.5	L851 G852 Y857 F858	L851-L855 PolarHBondContact O-N 3.5Å; L851-L855 VanDerWaalsContact O-N 3.12Å; G852-L855 PolarHBondContact O-N 3.12Å; L855-Y857 VanDerWaalsContact C-N 3.26Å; L855-Y857 PolarHBondContact O-N 3.32Å; L855-F858 PolarHBondContact O-N 3.48Å
856	V	41.6	Very low	38.8	Very low	113 Å²	113	120 Å²	120	69%	0.685	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-66.2	-27.3	-176.2	-176.4	0	0	0	0	112.6	K854 F858	K854-V856 VanDerWaalsContact C-N 3.35Å; K854-V856 PolarHBondContact O-N 3.06Å; V856-F858 PolarHBondContact O-N 3.41Å
857	Y	40.9	Very low	38.2	Very low	146 Å²	146	121.8 Å²	121.8	57%	0.573	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-91.6	13.9	-177.1	-67.6	-84.6	0	0	0	114.5	L146 K853 K854 L855	L146-Y857 HydrophobicContact CD2-CD2 3.46Å; L146-Y857 VanDerWaalsContact CD2-CD2 3.46Å; L146-Y857 HydrophobicContact CD2-CE2 4.1Å; L146-Y857 HydrophobicContact CD2-CG 3.76Å; K853-Y857 WeakPolarHBondContact O-CD2 3.39Å; K854-Y857 PolarHBondContact O-N 3.38Å; L855-Y857 VanDerWaalsContact C-N 3.26Å; L855-Y857 PolarHBondContact O-N 3.32Å
858	F	42.4	Very low	38.1	Very low	136 Å²	136	124.6 Å²	124.6	60%	0.596	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-97	-0.8	175.1	-72	-54.3	0	0	0	114.8	W143 K854 L855 V856	W143-F858 HydrophobicContact CH2-CD1 4.42Å; W143-F858 HydrophobicContact CH2-CE1 4.46Å; W143-F858 HydrophobicContact CZ3-CD1 4.35Å; W143-F858 HydrophobicContact CZ3-CE1 4.37Å; K854-F858 HydrophobicContact CG-CE2 3.93Å; K854-F858 HydrophobicContact CG-CZ 4.04Å; K854-F858 WeakPolarHBondContact O-CD2 3.23Å; K854-F858 WeakPolarHBondContact O-CE2 3.41Å; L855-F858 PolarHBondContact O-N 3.48Å; V856-F858 PolarHBondContact O-N 3.41Å
859	A	34.6	Very low	38.1	Very low	88 Å²	88	130 Å²	130	73%	0.727	66%	0.661	S	S	*	*			trans	-97.7	144.4	176.5	0	0	0	0	0	112.7
860	D	33.9	Very low	37.7	Very low	126 Å²	126	131.7 Å²	131.7	67%	0.674	68%	0.675	S	S	*	*			trans	-150.7	126.8	173	-166.8	8.8	0	0	0	108.8	S862	D860-S862 PolarHBondContact O-N 3.29Å
861	E	37.1	Very low	37.2	Very low	199 Å²	199	132 Å²	132	93%	0.93	70%	0.697	S	S	*	*	S	Bend	trans	-83	76.6	-156.6	-62.6	-174.1	118.1	0	0	114.1
862	S	37.1	Very low	36.7	Very low	100 Å²	100	135.7 Å²	135.7	70%	0.699	70%	0.703	S	S	*	*	S	Bend	trans	-144.1	-10.4	177.7	59.7	0	0	0	0	119.7	D860	D860-S862 PolarHBondContact O-N 3.29Å
863	E	33.3	Very low	36.2	Very low	167 Å²	167	138.9 Å²	138.9	78%	0.78	73%	0.726	S	S	*	*	S	Bend	trans	-136.6	131.2	172.2	-70.5	-165.4	-177.7	0	0	112.8	R865	E863-R865 PolarHBondContact O-N 3.35Å; E863-R865 VanDerWaalsContact O-N 3.09Å
864	E	42.5	Very low	35.6	Very low	192 Å²	192	144 Å²	144	90%	0.897	74%	0.744	S	S	*	*			trans	-71.2	98.7	176.7	-67.7	176	162.6	0	0	111.3
865	R	32.3	Very low	35.1	Very low	218 Å²	218	144.3 Å²	144.3	82%	0.823	77%	0.766	S	S	*	*			trans	-161.5	130.7	156.2	-125.1	165	-68.8	176.4	6	113	E863	E863-R865 PolarHBondContact O-N 3.35Å; E863-R865 VanDerWaalsContact O-N 3.09Å
866	Y	32.5	Very low	34.6	Very low	217 Å²	217	149 Å²	149	85%	0.851	78%	0.776	S	S	*	*			trans	-65.5	143.3	163.5	-87.2	-105.2	0	0	0	110.3
867	A	29.7	Very low	34.2	Very low	94 Å²	94	151.3 Å²	151.3	78%	0.777	78%	0.78	S	S	*	*			trans	-145.9	79	168.8	0	0	0	0	0	109	D869	A867-D869 PolarHBondContact O-N 3.25Å
868	D	35.8	Very low	34	Very low	148 Å²	148	147.1 Å²	147.1	79%	0.791	78%	0.78	S	S	*	*			trans	-72	103.3	162.5	-74.1	-58.7	0	0	0	108.3
869	D	32.1	Very low	33.4	Very low	160 Å²	160	150.8 Å²	150.8	86%	0.856	80%	0.8	S	S	*	*			trans	-145.3	108	167.8	-117.7	-34.9	0	0	0	109.7	A867	A867-D869 PolarHBondContact O-N 3.25Å
870	V	34.6	Very low	34	Very low	138 Å²	138	150.3 Å²	150.3	84%	0.836	80%	0.803	S	S	*	*			trans	-80.9	131.4	-176.8	175.2	0	0	0	0	109.9	R872	V870-R872 PolarHBondContact O-N 2.93Å
871	A	31.5	Very low	33.8	Very low	100 Å²	100	149.1 Å²	149.1	83%	0.826	81%	0.805	S	S	*	*			trans	-58.7	101.4	-174.7	0	0	0	0	0	113.6
872	R	29.8	Very low	33.8	Very low	186 Å²	186	146 Å²	146	70%	0.702	80%	0.802	S	S	*	*			trans	-82.6	135.5	159.8	-73.6	-174.6	172.3	-171.9	-1.2	109.7	V870 Y874	V870-R872 PolarHBondContact O-N 2.93Å; R872-Y874 WeakPolarHBondContact O-CD2 3.44Å; R872-Y874 PolarHBondContact O-N 3.41Å
873	A	28.3	Very low	33.6	Very low	107 Å²	107	145 Å²	145	88%	0.884	80%	0.799	S	S	*	*			trans	-77.2	115.7	175.2	0	0	0	0	0	110.5
874	Y	31.3	Very low	33.4	Very low	198 Å²	198	141.1 Å²	141.1	78%	0.776	80%	0.804	S	S	*	*			trans	-83.9	131.3	173.1	-76.2	-95	0	0	0	110.7	R872	R872-Y874 WeakPolarHBondContact O-CD2 3.44Å; R872-Y874 PolarHBondContact O-N 3.41Å
875	G	32	Very low	33	Very low	71 Å²	71	137.6 Å²	137.6	73%	0.732	80%	0.801	S	S	*	*			trans	-85.9	122.1	176.8	0	0	0	0	0	111.9	E877	G875-E877 PolarHBondContact O-N 3.14Å
876	Y	33.3	Very low	32.8	Very low	225 Å²	225	134.4 Å²	134.4	88%	0.882	81%	0.805	S	S	*	*			trans	19.7	87.4	164.3	-154.7	-84.1	0	0	0	117
877	E	34.3	Very low	32.7	Very low	162 Å²	162	127.4 Å²	127.4	76%	0.757	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79.1	134.7	166.6	-62.5	-171.6	150.9	0	0	110.6	G875	G875-E877 PolarHBondContact O-N 3.14Å
878	G	36.6	Very low	32.7	Very low	57 Å²	57	128.3 Å²	128.3	59%	0.588	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-80	165.8	178.4	0	0	0	0	0	113.6	G880	G878-G880 PolarHBondContact O-N 3.29Å
879	E	28.9	Very low	32.6	Very low	214 Å²	214	126.1 Å²	126.1	100%	1	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	124.6	179.2	-67.7	-172.5	111.6	0	0	112.6
880	G	46.8	Very low	32.6	Very low	78 Å²	78	123.6 Å²	123.6	80%	0.804	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.5	8.3	153.3	0	0	0	0	0	119.6	G878	G878-G880 PolarHBondContact O-N 3.29Å
881	S	29.4	Very low	32.6	Very low	101 Å²	101	123.1 Å²	123.1	71%	0.706	78%	0.781	S	S	*	*			trans	-87.5	127.9	176.2	-169.8	0	0	0	0	113.4	A883	S881-A883 PolarHBondContact OG-O 3.38Å
882	P	38.4	Very low	32.5	Very low	133 Å²	133	128.5 Å²	128.5	86%	0.864	79%	0.786	S	S	*	*			trans	-104.9	11.2	179.6	39.8	-34.9	0	0	0	114.9
883	A	32	Very low	32.7	Very low	78 Å²	78	123 Å²	123	65%	0.645	79%	0.788	S	S	*	*			trans	-147.9	131.7	177.1	0	0	0	0	0	111.6	S881	S881-A883 PolarHBondContact OG-O 3.38Å
884	G	30.2	Very low	33.4	Very low	86 Å²	86	125.9 Å²	125.9	89%	0.887	79%	0.788	S	S	*	*			trans	-93.2	139.9	174.6	0	0	0	0	0	112
885	S	32.1	Very low	34.3	Very low	119 Å²	119	125.4 Å²	125.4	83%	0.832	79%	0.793	S	S	*	*			trans	-121.2	128.5	179	53.2	0	0	0	0	111.1
886	V	28.4	Very low	34.7	Very low	151 Å²	151	129.7 Å²	129.7	92%	0.915	80%	0.799	S	S	*	*			trans	-82.8	137.4	176	-173.9	0	0	0	0	109.6
887	G	30.6	Very low	35.6	Very low	70 Å²	70	124.6 Å²	124.6	72%	0.722	79%	0.787	S	S	*	*			trans	-126.6	125.9	178.5	0	0	0	0	0	112.5
888	C	30.4	Very low	36.6	Very low	113 Å²	113	121.2 Å²	121.2	76%	0.764	77%	0.774	S	S	*	*			trans	-82.2	110.7	170.6	-65.6	0	0	0	0	110
889	C	33.8	Very low	37.4	Very low	102 Å²	102	123.7 Å²	123.7	69%	0.689	77%	0.774	S	S	*	*			trans	-163	130.4	161.2	-110	0	0	0	0	110
890	S	32.8	Very low	38.7	Very low	106 Å²	106	119.4 Å²	119.4	74%	0.741	75%	0.752	S	S	*	*			trans	-153.6	87.8	163.4	56.6	0	0	0	0	108.9
891	D	34.4	Very low	38.9	Very low	128 Å²	128	118 Å²	118	68%	0.684	73%	0.726	S	S	*	*			trans	-68.7	160.8	176.4	-60.4	-57.4	0	0	0	112.2
892	F	28.7	Very low	40	Very low	213 Å²	213	119.5 Å²	119.5	93%	0.934	72%	0.722	S	S	*	*			trans	84.1	92.2	173.4	-60.9	-77.8	0	0	0	118
893	G	33.7	Very low	40.7	Very low	72 Å²	72	117.7 Å²	117.7	74%	0.742	71%	0.712	S	S	*	*			trans	158.8	69.8	165.4	0	0	0	0	0	112.5
894	D	43.7	Very low	41.5	Very low	166 Å²	166	117.9 Å²	117.9	89%	0.888	70%	0.702	S	S	*	*			trans	-63	147.6	-179.9	-73.7	-62.1	0	0	0	113
895	Q	50.1	Low	42.3	Very low	189 Å²	189	115.6 Å²	115.6	88%	0.883	68%	0.679	S	S	*	*			trans	76.7	64.5	177.6	-53.2	-169.3	-8.5	0	0	117.2
896	D	40.3	Very low	43.4	Very low	161 Å²	161	115.5 Å²	115.5	86%	0.861	68%	0.678	S	S	*	*			trans	-131.4	140.8	144.8	-109.9	-41.9	0	0	0	110.8
897	N	51.3	Low	44.3	Very low	118 Å²	118	117.2 Å²	117.2	63%	0.631	67%	0.673	S	S	*	*			trans	-95.1	118.4	-170.8	-174.9	25.3	0	0	0	111.2	D899	N897-D899 PolarHBondContact ND2-OD2 3.16Å; N897-D899 PolarHBondContact O-N 2.93Å; N897-D899 VanDerWaalsContact O-N 3.09Å
898	L	55.2	Low	45.3	Very low	91 Å²	91	119.1 Å²	119.1	48%	0.476	66%	0.662	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.9	9.7	-168	-69.8	172.6	0	0	0	115.5	F900 L901 M916	L898-F900 PolarHBondContact O-N 2.9Å; L898-L901 HydrophobicContact CB-CD1 4.28Å; L898-L901 WeakPolarHBondContact O-CB 3.47Å; L898-L901 WeakPolarHBondContact O-CG 3.35Å; L898-L901 PolarHBondContact O-N 3.46Å; L898-M916 HydrophobicContact CB-CE 3.66Å; L898-M916 HydrophobicContact CD1-CE 3.75Å; L898-M916 HydrophobicContact CG-CE 4.34Å
899	D	55.2	Low	46.4	Very low	109 Å²	109	118.7 Å²	118.7	58%	0.583	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	-24.6	177.3	-73.1	-17.8	0	0	0	113.9	N897 L901 E902	N897-D899 PolarHBondContact ND2-OD2 3.16Å; N897-D899 PolarHBondContact O-N 2.93Å; N897-D899 VanDerWaalsContact O-N 3.09Å; D899-L901 PolarHBondContact O-N 3.23Å; D899-L901 VanDerWaalsContact O-N 3.11Å; D899-E902 PolarHBondContact O-N 3.17Å
900	F	55.8	Low	47.4	Very low	123 Å²	123	118.5 Å²	118.5	54%	0.539	64%	0.643	S	S	.	*	H	α-helix	trans	-56.3	-27.3	175.2	117.3	-89.9	0	0	0	112.9	L898 E902 S903 L904	L898-F900 PolarHBondContact O-N 2.9Å; F900-E902 PolarHBondContact O-N 3.48Å; F900-S903 WeakPolarHBondContact O-CB 3.36Å; F900-S903 PolarHBondContact O-N 3Å; F900-S903 PolarHBondContact O-OG 3.06Å; F900-L904 HydrophobicContact CE2-CD1 3.9Å; F900-L904 HydrophobicContact CE2-CD2 4.13Å; F900-L904 HydrophobicContact CE2-CG 4.17Å; F900-L904 HydrophobicContact CZ-CD1 4.13Å
901	L	49.9	Very low	48.1	Very low	49 Å²	49	118.8 Å²	118.8	26%	0.257	64%	0.635	S	S	.	*	H	α-helix	trans	-65.1	-24.4	178.1	-64.8	177	0	0	0	113.3	L898 D899 S903 L904 A912	L898-L901 HydrophobicContact CB-CD1 4.28Å; L898-L901 WeakPolarHBondContact O-CB 3.47Å; L898-L901 WeakPolarHBondContact O-CG 3.35Å; L898-L901 PolarHBondContact O-N 3.46Å; D899-L901 PolarHBondContact O-N 3.23Å; D899-L901 VanDerWaalsContact O-N 3.11Å; L901-S903 VanDerWaalsContact C-N 3.3Å; L901-L904 HydrophobicContact CD2-CD1 4.06Å; L901-A912 HydrophobicContact CB-CB 4.15Å
902	E	52.6	Low	48.9	Very low	133 Å²	133	113.5 Å²	113.5	62%	0.621	61%	0.61	S	S	*	*	H	α-helix	trans	-72.3	-24.4	172.3	-67.1	-134.6	114.9	0	0	112.5	D899 F900 L904 K909	D899-E902 PolarHBondContact O-N 3.17Å; F900-E902 PolarHBondContact O-N 3.48Å; E902-L904 VanDerWaalsContact C-N 3.34Å; E902-L904 PolarHBondContact O-N 3.29Å; E902-K909 IonicContact OE1-NZ 3.7Å; E902-K909 PolarHBondContact OE1-NZ 2.71Å
903	S	53.6	Low	50.2	Low	94 Å²	94	108 Å²	108	66%	0.657	59%	0.589	S	S	*	*	H	α-helix	trans	-75.4	-19.9	-178.3	77.5	0	0	0	0	114.2	F900 L901 G905	F900-S903 WeakPolarHBondContact O-CB 3.36Å; F900-S903 PolarHBondContact O-N 3Å; F900-S903 PolarHBondContact O-OG 3.06Å; L901-S903 VanDerWaalsContact C-N 3.3Å; S903-G905 PolarHBondContact O-N 2.99Å; S903-G905 VanDerWaalsContact O-N 3.14Å
904	L	48.2	Very low	51.2	Low	82 Å²	82	110.1 Å²	110.1	43%	0.429	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	-0.5	-176.7	-63.5	175.7	0	0	0	114.2	F900 L901 E902 F908	F900-L904 HydrophobicContact CE2-CD1 3.9Å; F900-L904 HydrophobicContact CE2-CD2 4.13Å; F900-L904 HydrophobicContact CE2-CG 4.17Å; F900-L904 HydrophobicContact CZ-CD1 4.13Å; L901-L904 HydrophobicContact CD2-CD1 4.06Å; E902-L904 VanDerWaalsContact C-N 3.34Å; E902-L904 PolarHBondContact O-N 3.29Å; L904-F908 HydrophobicContact CB-CB 4.25Å; L904-F908 HydrophobicContact CB-CD2 4.07Å; L904-F908 HydrophobicContact CB-CG 4.37Å; L904-F908 WeakPolarHBondContact O-CD2 3.48Å
905	G	48.4	Very low	51.3	Low	39 Å²	39	105.9 Å²	105.9	40%	0.402	57%	0.565	S	S	.	*			trans	84.9	173.1	172.7	0	0	0	0	0	114.8	S903 K907 F908	S903-G905 PolarHBondContact O-N 2.99Å; S903-G905 VanDerWaalsContact O-N 3.14Å; G905-K907 PolarHBondContact O-N 2.63Å; G905-F908 PolarHBondContact O-N 3.11Å; G905-F908 VanDerWaalsContact O-N 3.16Å
906	S	54.1	Low	51.5	Low	117 Å²	117	101.2 Å²	101.2	82%	0.818	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.6	-163.9	55.8	0	0	0	0	115.9
907	K	47.9	Very low	51.8	Low	187 Å²	187	101 Å²	101	81%	0.813	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-19.5	-177.9	-145.7	179.4	-174.6	-175.3	0	114	G905	G905-K907 PolarHBondContact O-N 2.63Å
908	F	50.7	Low	51.4	Low	110 Å²	110	103.6 Å²	103.6	48%	0.482	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-8.9	-178.1	-64.6	-81.3	0	0	0	113.7	L904 G905 T910 L911 A912	L904-F908 HydrophobicContact CB-CB 4.25Å; L904-F908 HydrophobicContact CB-CD2 4.07Å; L904-F908 HydrophobicContact CB-CG 4.37Å; L904-F908 WeakPolarHBondContact O-CD2 3.48Å; G905-F908 PolarHBondContact O-N 3.11Å; G905-F908 VanDerWaalsContact O-N 3.16Å; F908-T910 PolarHBondContact O-N 2.98Å; F908-T910 VanDerWaalsContact O-N 3.17Å; F908-L911 WeakPolarHBondContact O-CB 3.44Å; F908-L911 PolarHBondContact O-N 3.37Å; F908-A912 PolarHBondContact O-N 3.43Å
909	K	53.9	Low	50.7	Low	103 Å²	103	108.5 Å²	108.5	45%	0.448	57%	0.57	S	S	.	*	H	α-helix	trans	-58.8	-30.4	-178.8	-167.6	155.4	-179.1	131.4	0	113.4	E902 L911 A912 N913	E902-K909 IonicContact OE1-NZ 3.7Å; E902-K909 PolarHBondContact OE1-NZ 2.71Å; K909-L911 VanDerWaalsContact C-N 3.32Å; K909-L911 PolarHBondContact O-N 3.17Å; K909-A912 PolarHBondContact O-N 3.25Å; K909-N913 PolarHBondContact O-N 3.1Å; K909-N913 VanDerWaalsContact O-N 3.1Å; K909-N913 PolarHBondContact O-OD1 3.47Å
910	T	54.6	Low	49.9	Very low	98 Å²	98	112.5 Å²	112.5	60%	0.601	59%	0.585	S	S	*	*	H	α-helix	trans	-65.1	-33	173.3	-38.1	0	0	0	0	112.8	F908 I914	F908-T910 PolarHBondContact O-N 2.98Å; F908-T910 VanDerWaalsContact O-N 3.17Å; T910-I914 WeakPolarHBondContact O-CD1 3.35Å; T910-I914 VanDerWaalsContact O-CG1 3.31Å; T910-I914 WeakPolarHBondContact O-CG1 3.23Å; T910-I914 PolarHBondContact O-N 3.12Å
911	L	47.6	Very low	49	Very low	113 Å²	113	115.3 Å²	115.3	59%	0.592	60%	0.6	S	S	*	*	H	α-helix	trans	-75.2	-42	178.2	-156.3	77.9	0	0	0	110.9	F908 K909 N913 I914 C915	F908-L911 WeakPolarHBondContact O-CB 3.44Å; F908-L911 PolarHBondContact O-N 3.37Å; K909-L911 VanDerWaalsContact C-N 3.32Å; K909-L911 PolarHBondContact O-N 3.17Å; L911-N913 VanDerWaalsContact C-N 3.3Å; L911-N913 PolarHBondContact O-N 3.4Å; L911-I914 PolarHBondContact O-N 2.73Å; L911-C915 PolarHBondContact O-N 3.36Å; L911-C915 VanDerWaalsContact O-N 3.12Å
912	A	51.3	Low	48.2	Very low	17 Å²	17	124.6 Å²	124.6	14%	0.14	65%	0.647	C	S	.	*	H	α-helix	trans	-59.6	-39.5	174.9	0	0	0	0	0	112.2	L901 F908 K909 M916	L901-A912 HydrophobicContact CB-CB 4.15Å; F908-A912 PolarHBondContact O-N 3.43Å; K909-A912 PolarHBondContact O-N 3.25Å; A912-M916 WeakPolarHBondContact O-CB 3.39Å; A912-M916 VanDerWaalsContact O-CG 3.23Å; A912-M916 WeakPolarHBondContact O-CG 3.31Å
913	N	55.8	Low	47.9	Very low	96 Å²	96	124.2 Å²	124.2	51%	0.513	65%	0.648	S	S	.	*	H	α-helix	trans	-64.7	-37.2	175.5	-73.1	10.4	0	0	0	113	K909 L911	K909-N913 PolarHBondContact O-N 3.1Å; K909-N913 VanDerWaalsContact O-N 3.1Å; K909-N913 PolarHBondContact O-OD1 3.47Å; L911-N913 VanDerWaalsContact C-N 3.3Å; L911-N913 PolarHBondContact O-N 3.4Å
914	I	55.2	Low	47.6	Very low	117 Å²	117	125.7 Å²	125.7	60%	0.6	65%	0.648	S	S	*	*	H	α-helix	trans	-72.8	-34.8	-179.1	-69.7	165.8	0	0	0	111.5	T910 L911 M916	T910-I914 WeakPolarHBondContact O-CD1 3.35Å; T910-I914 VanDerWaalsContact O-CG1 3.31Å; T910-I914 WeakPolarHBondContact O-CG1 3.23Å; T910-I914 PolarHBondContact O-N 3.12Å; L911-I914 PolarHBondContact O-N 2.73Å; I914-M916 VanDerWaalsContact C-N 3.27Å; I914-M916 PolarHBondContact O-N 3.09Å
915	C	45.6	Very low	47.6	Very low	77 Å²	77	128.2 Å²	128.2	52%	0.52	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.2	8.9	-179.6	-62.5	0	0	0	0	114.5	L911	L911-C915 PolarHBondContact O-N 3.36Å; L911-C915 VanDerWaalsContact O-N 3.12Å
916	M	54.2	Low	47.6	Very low	91 Å²	91	133.4 Å²	133.4	45%	0.448	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.8	5.3	-170.6	-80.1	-78.7	178	0	0	114.5	L898 A912 I914 K918	L898-M916 HydrophobicContact CB-CE 3.66Å; L898-M916 HydrophobicContact CD1-CE 3.75Å; L898-M916 HydrophobicContact CG-CE 4.34Å; A912-M916 WeakPolarHBondContact O-CB 3.39Å; A912-M916 VanDerWaalsContact O-CG 3.23Å; A912-M916 WeakPolarHBondContact O-CG 3.31Å; I914-M916 VanDerWaalsContact C-N 3.27Å; I914-M916 PolarHBondContact O-N 3.09Å; M916-K918 PolarHBondContact O-N 3.09Å; M916-K918 VanDerWaalsContact O-N 3.09Å
917	D	47	Very low	47.2	Very low	157 Å²	157	134.4 Å²	134.4	84%	0.84	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.7	43.2	-179.8	-84.6	-0.8	0	0	0	114.7	E919	D917-E919 PolarHBondContact O-N 3.36Å
918	K	41.7	Very low	47.1	Very low	172 Å²	172	130.9 Å²	130.9	75%	0.748	66%	0.656	S	S	*	*			trans	-93.6	73.2	168.9	-72.3	-174.4	179.5	174.5	0	110.7	M916 E920	M916-K918 PolarHBondContact O-N 3.09Å; M916-K918 VanDerWaalsContact O-N 3.09Å; K918-E920 PolarHBondContact O-N 3.4Å
919	E	41.7	Very low	46.9	Very low	194 Å²	194	132.4 Å²	132.4	91%	0.907	67%	0.669	S	S	*	*			trans	-67	115.8	155.2	-70.4	-166.1	133.1	0	0	108.8	D917	D917-E919 PolarHBondContact O-N 3.36Å
920	E	37.8	Very low	46.3	Very low	193 Å²	193	134.7 Å²	134.7	90%	0.902	69%	0.686	S	S	*	*			trans	-145.7	141.2	158.2	-130.6	171.6	-152.3	0	0	109.7	K918	K918-E920 PolarHBondContact O-N 3.4Å
921	E	36.8	Very low	45.6	Very low	183 Å²	183	137.8 Å²	137.8	86%	0.855	69%	0.693	S	S	*	*			trans	-65	141.4	-153.7	-54.3	171	122.7	0	0	116.1
922	I	33	Very low	45.4	Very low	243 Å²	243	140 Å²	140	100%	1.246	70%	0.702	S	S	*	*				179.2	0	112.1	-87.9	158.6	0	0	0	111.4

Retrieved 922 of 922 residues in 1258.6 ms (Link to these results)

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