A0A087XVH7_POEFO Loading...

Leucine-rich repeats and immunoglobulin-like domains 3

AlphaFold DB , UniProt , Accession A0A087XVH7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,106 aa.

						>A0A087XVH7_POEFO|A0A087XVH7
MPSSPQPRSLVRFAVFFLLFVGLERGSGAHAGTCPPPCLCFGELVDCGRVKRGRIPDTIPEWTVQLDLSHNKLQVLDGNLFSRLPHLKELKLNHNKLEAIPDLGPSASNITTLILANNRISGISEERLGPFASLETLDLSNNKIVEIKSSSFPALPLKNLFLCNNRISSLESGWSTNLASTLQILELSHNRISNIPARFFQLPNLQHLDLSRNQIRRVEGLTFQDLPTLRSLKLQRNRLSGLMDGAFFGLSNMEVLQLGFNNLTEVSKGWLYGLGALQQLHLEHNTISRIQPETWKCCQKLGKLNLSSNHLSRLEESSFDGLSLLDELHVGNNRVSFIAGGAFRGLSNLQMLDLQNNEISWTIEDMNGPFSALEKMKTLFLQGNQIRSVTKKSFSGLDELQHLDLSNNGIMSIQANAFSQMKNLQELRLNTSSLLCDCQLKWLPIWVEKQSFLPCVNASCAHPQMLKGRSVFLVRQEEFVCDDFPKPKITVQPETQSALKGATVTFVCSAASSSDSPMTFAWKKDNEVLNDAEIHNQAHLRVQGDAGSETEVTEYTTTLQLRNVDFSNEGKYQCVISNHFGSSYSSKARLTVNILPSFTKMPMDLTIRAGAMARLECAAEGRPSPQIAWQKDGGTDFPAARERRMHVMPEDDVFFITGVKTEDIGVYSCTAQNTAGVISANATLTVLETPYFLRPLTDRTVAKGETAVLQCIAGGSPPPRLNWTKDDSPLVVTERHFFAAANQLLIVVDAAEVDAGKYTCEMSNALGTERGHVRLAVLPNPNCDSGVQSGTGNVMGSGSGADDDGWTTVGIVIIAVVCCVVGTSLVWVVIIYHTRRRNEDCSVTNTDETNLPADIPSYLSSQGTLADRQDAYIPSESGSSHQYIASSYSGFYLQTKDMNGLCQLDTGSEADMEAAIDPLLCHYQGPIGSLLCRDTIYPSDPSEVFAGFSIDQKPVGMESYSGSLTKPKTMDILPSEHYDVCPPSLVMQLPNTSLNQDPAPQQRDRQTTADEEDAFDCGKPHKCVPPYNTFMGTFGKAPWTPHKDLYIPPSITYHGITLHENPYTALDIDSDLEQSIKDSLEQSGRVYEQPFDGRRTDAISQRRMSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	29.2	Very low	227 Å²	227	136.3 Å²	136.3	100%	1.118	78%	0.78	S	S	*	*				0	157.7	0	-89.6	-165.4	-176.9	0	0	108.2
2	P	32	Very low	29.3	Very low	127 Å²	127	145.7 Å²	145.7	83%	0.825	79%	0.793	S	S	*	*			cis	-74.9	162	-7.4	33.7	-35.7	0	0	0	110.9
3	S	21.3	Very low	29.4	Very low	83 Å²	83	148.7 Å²	148.7	58%	0.58	79%	0.794	S	S	*	*			cis	-170.5	146.8	-33.8	44	0	0	0	0	105.6
4	S	33.3	Very low	29.3	Very low	112 Å²	112	143.2 Å²	143.2	78%	0.783	78%	0.78	S	S	*	*			trans	-45.9	143.5	-179.6	54.1	0	0	0	0	114.6
5	P	26.7	Very low	29.4	Very low	120 Å²	120	142.9 Å²	142.9	78%	0.779	78%	0.784	S	S	*	*				-114.6	136.8	121.9	32.3	-32	0	0	0	111.6
6	Q	29.5	Very low	29.5	Very low	145 Å²	145	146.1 Å²	146.1	68%	0.678	79%	0.788	S	S	*	*			trans	-71.4	137.6	162	-63.5	172.9	-27.8	0	0	109.1	R8	Q6-R8 VanDerWaalsContact C-N 3.26Å; Q6-R8 HydrophobicContact CB-CG 4.38Å; Q6-R8 PolarHBondContact O-N 3.35Å
7	P	28.4	Very low	29.6	Very low	133 Å²	133	149.4 Å²	149.4	86%	0.864	79%	0.794	S	S	*	*			trans	-69.3	92.1	149.6	30	-30.1	0	0	0	107.6
8	R	26.2	Very low	29.5	Very low	186 Å²	186	150.5 Å²	150.5	70%	0.702	80%	0.799	S	S	*	*			trans	-60.9	151.6	169.8	-74.5	179.4	171.7	172.3	-2.9	109.6	Q6 L10	Q6-R8 VanDerWaalsContact C-N 3.26Å; Q6-R8 HydrophobicContact CB-CG 4.38Å; Q6-R8 PolarHBondContact O-N 3.35Å; R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.33Å
9	S	32.5	Very low	29.5	Very low	127 Å²	127	151.2 Å²	151.2	89%	0.888	80%	0.802	S	S	*	*	S	Bend	trans	-64.9	83.2	168.6	53.3	0	0	0	0	111.1
10	L	31.1	Very low	29.8	Very low	110 Å²	110	153.3 Å²	153.3	58%	0.576	80%	0.804	S	S	*	*			trans	-158.4	35.7	-175.3	-120.9	168.1	0	0	0	116.4	R8 F13	R8-L10 VanDerWaalsContact C-N 3.3Å; R8-L10 PolarHBondContact O-N 3.33Å; L10-F13 HydrophobicContact CD2-CB 4.29Å
11	V	28.6	Very low	30.3	Very low	129 Å²	129	153.1 Å²	153.1	78%	0.782	81%	0.809	S	S	*	*			trans	-123.5	61.1	171	-162.4	0	0	0	0	113.1
12	R	29.8	Very low	30.6	Very low	249 Å²	249	145.7 Å²	145.7	94%	0.94	79%	0.791	S	S	*	*	S	Bend	trans	-132.9	21.4	141.8	-93.2	-166.2	175.9	-176.8	-0.3	111.9
13	F	31.7	Very low	30.6	Very low	185 Å²	185	146.4 Å²	146.4	81%	0.811	79%	0.787	S	S	*	*	S	Bend	trans	-141.2	42.5	-177.7	-107.5	-79.8	0	0	0	112.2	L10	L10-F13 HydrophobicContact CD2-CB 4.29Å
14	A	27.4	Very low	31.1	Very low	72 Å²	72	151.1 Å²	151.1	60%	0.595	80%	0.8	S	S	*	*	S	Bend	trans	-145.7	24.9	-177	0	0	0	0	0	114.9
15	V	30.7	Very low	31.5	Very low	138 Å²	138	157.7 Å²	157.7	84%	0.836	81%	0.807	S	S	*	*	S	Bend	trans	-113.4	-4.4	174.1	-176.2	0	0	0	0	111.9
16	F	30.8	Very low	31.7	Very low	195 Å²	195	155.6 Å²	155.6	86%	0.855	81%	0.808	S	S	*	*	S	Bend	trans	-107.5	10.8	-172	-113.4	-85.5	0	0	0	115.1
17	F	31.1	Very low	32.4	Very low	201 Å²	201	154.6 Å²	154.6	88%	0.882	82%	0.817	S	S	*	*	S	Bend	trans	-141.6	41.5	-170.4	-119.4	-84	0	0	0	114.9
18	L	27.9	Very low	32.9	Very low	170 Å²	170	151.4 Å²	151.4	89%	0.89	81%	0.808	S	S	*	*	S	Bend	trans	-155.3	29.7	163.1	-117.1	170.2	0	0	0	114.8
19	L	29.9	Very low	33.5	Very low	163 Å²	163	147.4 Å²	147.4	85%	0.853	82%	0.815	S	S	*	*	S	Bend	trans	-132.8	38	175.7	-97.6	175.2	0	0	0	113
20	F	34.7	Very low	34.3	Very low	194 Å²	194	148.1 Å²	148.1	85%	0.851	80%	0.804	S	S	*	*			trans	-136.1	53.3	174	-95.8	-72.7	0	0	0	112.9
21	V	41.7	Very low	35	Very low	149 Å²	149	148.5 Å²	148.5	90%	0.903	82%	0.823	S	S	*	*	S	Bend	trans	-126.5	99.5	156.8	-179.3	0	0	0	0	107.4
22	G	37.2	Very low	36.4	Very low	71 Å²	71	144 Å²	144	73%	0.732	80%	0.802	S	S	*	*	S	Bend	trans	87.2	86.1	176.7	0	0	0	0	0	115.5
23	L	31.4	Very low	38.3	Very low	143 Å²	143	138.5 Å²	138.5	75%	0.749	80%	0.797	S	S	*	*				-164.5	121.8	124.6	-104.4	162.1	0	0	0	111.5
24	E	32	Very low	40.6	Very low	181 Å²	181	131.9 Å²	131.9	85%	0.846	77%	0.773	S	S	*	*			trans	37.9	143.7	152.9	-71.5	173.4	176.8	0	0	124.3	G26	E24-G26 PolarHBondContact O-N 2.66Å; E24-G26 VanDerWaalsContact O-N 3.08Å
25	R	42	Very low	43.2	Very low	250 Å²	250	128.8 Å²	128.8	94%	0.943	75%	0.747	S	S	*	*			trans	-76.1	86.9	173.4	-71.7	173.4	167.4	166	-5.3	111.1	S27	R25-S27 PolarHBondContact O-N 3.44Å
26	G	31.8	Very low	45.5	Very low	76 Å²	76	127.5 Å²	127.5	78%	0.784	74%	0.741	S	S	*	*			trans	-64	102.6	164.7	0	0	0	0	0	111.3	E24 G28	E24-G26 PolarHBondContact O-N 2.66Å; E24-G26 VanDerWaalsContact O-N 3.08Å; G26-G28 PolarHBondContact O-N 2.89Å
27	S	44.7	Very low	47.9	Very low	124 Å²	124	121.4 Å²	121.4	87%	0.867	72%	0.721	S	S	*	*			trans	-81.4	81.2	-175.4	58.1	0	0	0	0	113	R25	R25-S27 PolarHBondContact O-N 3.44Å
28	G	38.6	Very low	50.6	Low	66 Å²	66	112.3 Å²	112.3	68%	0.68	68%	0.682	S	S	*	*			trans	-108.7	74.1	172.5	0	0	0	0	0	112.4	G26 H30	G26-G28 PolarHBondContact O-N 2.89Å; G28-H30 PolarHBondContact O-N 2.81Å; G28-H30 VanDerWaalsContact O-N 3.09Å
29	A	39	Very low	53.5	Low	102 Å²	102	108.9 Å²	108.9	84%	0.843	67%	0.665	S	S	*	*			trans	-80.2	87.3	-175.1	0	0	0	0	0	113
30	H	48.5	Very low	56.4	Low	142 Å²	142	103 Å²	103	66%	0.657	64%	0.636	S	S	*	*			trans	-68.7	129.4	159.2	-71.4	-37.6	0	0	0	109.9	G28 G32	G28-H30 PolarHBondContact O-N 2.81Å; G28-H30 VanDerWaalsContact O-N 3.09Å; H30-G32 PolarHBondContact O-N 3.38Å
31	A	45	Very low	58.9	Low	119 Å²	119	99.9 Å²	99.9	98%	0.983	62%	0.623	S	S	*	*	S	Bend	trans	-79.2	42.5	-168.5	0	0	0	0	0	114.6
32	G	58.4	Low	61.1	Low	34 Å²	34	96 Å²	96	35%	0.351	61%	0.613	S	S	.	*			trans	-123	123.1	174.8	0	0	0	0	0	111	H30 C34	H30-G32 PolarHBondContact O-N 3.38Å; G32-C34 PolarHBondContact O-N 3.49Å
33	T	70	Confident	63.7	Low	134 Å²	134	98 Å²	98	82%	0.822	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-66.8	126.2	175.4	48.8	0	0	0	0	110.7
34	C	80.8	Confident	66.6	Low	46 Å²	46	93.3 Å²	93.3	31%	0.311	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-56.8	129.8	173.6	-168.8	0	0	0	0	110.6	G32 P36 C40	G32-C34 PolarHBondContact O-N 3.49Å; C34-P36 WeakPolarHBondContact O-CD 3.46Å; C34-C40 VanDerWaalsContact CA-SG 3.57Å; C34-C40 HydrophobicContact CB-CB 3.79Å; C34-C40 WeakPolarHBondContact CB-SG 3.31Å; C34-C40 WeakPolarHBondContact SG-CB 3.36Å; C34-C40 PolarHBondContact SG-N 2.87Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 2.91Å
35	P	82	Confident	69.6	Low	6 Å²	6	84.7 Å²	84.7	4%	0.039	54%	0.538	C	S	.	.	P	Polyproline II helix	trans	-73.6	116.2	-171.2	27.1	-34	0	0	0	111.7	C38 V45 P56 T58	P35-C38 HydrophobicContact CG-CB 4.38Å; P35-C38 WeakPolarHBondContact O-CA 3.39Å; P35-C38 WeakPolarHBondContact O-CB 3.45Å; P35-C38 PolarHBondContact O-N 3.03Å; P35-C38 PolarHBondContact O-SG 2.81Å; P35-C38 VanDerWaalsContact O-SG 3.36Å; P35-V45 HydrophobicContact CG-CG1 4.45Å; P35-P56 HydrophobicContact CB-CB 4.05Å; P35-T58 VanDerWaalsContact CB-O 3.25Å; P35-T58 WeakPolarHBondContact CB-O 3.41Å
36	P	78.8	Confident	72	Confident	111 Å²	111	75.5 Å²	75.5	72%	0.721	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	137.5	-178.5	28.2	-34.1	0	0	0	111.3	C34	C34-P36 WeakPolarHBondContact O-CD 3.46Å
37	P	80.1	Confident	74.8	Confident	67 Å²	67	72 Å²	72	44%	0.435	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	cis	-101.7	29.4	13.3	41	-36.7	0	0	0	114.2	V50	P37-V50 HydrophobicContact CG-CB 4.45Å; P37-V50 HydrophobicContact CG-CG1 3.56Å; P37-V50 HydrophobicContact CG-CG2 3.97Å
38	C	87.9	Confident	76.8	Confident	10 Å²	10	66.8 Å²	66.8	7%	0.068	44%	0.437	C	S	.	.			trans	-78.1	164.1	178.5	-47.1	0	0	0	0	112.1	P35 V45 D46 C47	P35-C38 HydrophobicContact CG-CB 4.38Å; P35-C38 WeakPolarHBondContact O-CA 3.39Å; P35-C38 WeakPolarHBondContact O-CB 3.45Å; P35-C38 PolarHBondContact O-N 3.03Å; P35-C38 PolarHBondContact O-SG 2.81Å; P35-C38 VanDerWaalsContact O-SG 3.36Å; C38-V45 HydrophobicContact CB-CG1 4.31Å; C38-D46 CarbonylContact C-O 3.54Å; C38-D46 VanDerWaalsContact CA-O 3.25Å; C38-D46 WeakPolarHBondContact CA-O 3.5Å; C38-D46 VanDerWaalsContact CB-O 3.25Å; C38-D46 WeakPolarHBondContact CB-O 3.32Å; C38-C47 HydrophobicContact CB-CB 3.97Å; C38-C47 WeakPolarHBondContact CB-SG 3.29Å; C38-C47 VanDerWaalsContact SG-CA 3.52Å; C38-C47 WeakPolarHBondContact SG-CB 3.37Å; C38-C47 CovalentContact SG-SG 2.03Å; C38-C47 PolarHBondContact SG-SG 2.84Å
39	L	89.8	Confident	79.2	Confident	99 Å²	99	72.2 Å²	72.2	52%	0.518	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	151.4	172.1	-58.6	176.6	0	0	0	109.7	F41 D46	L39-F41 HydrophobicContact CB-CD2 4.37Å; L39-F41 HydrophobicContact CB-CE2 3.57Å; L39-F41 HydrophobicContact CB-CZ 4.04Å; L39-F41 HydrophobicContact CD1-CE2 4.17Å; L39-F41 HydrophobicContact CD1-CZ 4.18Å; L39-D46 PolarHBondContact N-O 3.28Å; L39-D46 PolarHBondContact O-N 3.49Å
40	C	90.1	Very high	81.3	Confident	38 Å²	38	69.2 Å²	69.2	26%	0.257	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.4	-178.3	-62.7	0	0	0	0	110.4	C34 L44 W62	C34-C40 VanDerWaalsContact CA-SG 3.57Å; C34-C40 HydrophobicContact CB-CB 3.79Å; C34-C40 WeakPolarHBondContact CB-SG 3.31Å; C34-C40 WeakPolarHBondContact SG-CB 3.36Å; C34-C40 PolarHBondContact SG-N 2.87Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 2.91Å; C40-L44 CarbonylContact C-O 3.47Å; C40-L44 WeakPolarHBondContact CA-O 3.41Å; C40-W62 HydrophobicContact CB-CH2 4.13Å
41	F	88.4	Confident	82.7	Confident	130 Å²	130	69.5 Å²	69.5	57%	0.57	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	93.1	-174.1	-60.9	-75.4	0	0	0	109.9	L39 E43 L44	L39-F41 HydrophobicContact CB-CD2 4.37Å; L39-F41 HydrophobicContact CB-CE2 3.57Å; L39-F41 HydrophobicContact CB-CZ 4.04Å; L39-F41 HydrophobicContact CD1-CE2 4.17Å; L39-F41 HydrophobicContact CD1-CZ 4.18Å; F41-E43 PolarHBondContact O-N 3.32Å; F41-L44 PolarHBondContact N-O 2.99Å; F41-L44 WeakPolarHBondContact O-CB 3.5Å; F41-L44 PolarHBondContact O-N 3.2Å; F41-L44 VanDerWaalsContact O-N 3.16Å
42	G	87.4	Confident	84.1	Confident	67 Å²	67	70.2 Å²	70.2	69%	0.691	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	-122.6	-171.2	0	0	0	0	0	110.6	L44 W62	G42-L44 VanDerWaalsContact C-N 3.33Å; G42-W62 WeakPolarHBondContact O-CZ3 3.34Å
43	E	91.3	Very high	84.9	Confident	114 Å²	114	70.9 Å²	70.9	53%	0.533	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.2	179.3	-50.4	-178.6	151.7	0	0	114.4	F41 V64 Q65	F41-E43 PolarHBondContact O-N 3.32Å; E43-V64 HydrophobicContact CB-CB 3.82Å; E43-V64 HydrophobicContact CB-CG2 3.87Å; E43-V64 HydrophobicContact CG-CG2 4.16Å; E43-V64 PolarHBondContact O-N 2.85Å; E43-V64 WeakPolarHBondContact OE2-CG2 3.41Å; E43-Q65 PolarHBondContact O-N 2.79Å
44	L	92.8	Very high	85.1	Confident	44 Å²	44	74.4 Å²	74.4	23%	0.23	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.6	179.2	171.4	66	0	0	0	111.5	C40 F41 G42 Q65	C40-L44 CarbonylContact C-O 3.47Å; C40-L44 WeakPolarHBondContact CA-O 3.41Å; F41-L44 PolarHBondContact N-O 2.99Å; F41-L44 WeakPolarHBondContact O-CB 3.5Å; F41-L44 PolarHBondContact O-N 3.2Å; F41-L44 VanDerWaalsContact O-N 3.16Å; G42-L44 VanDerWaalsContact C-N 3.33Å; L44-Q65 WeakPolarHBondContact CA-O 3.24Å; L44-Q65 HydrophobicContact CB-CB 4.28Å; L44-Q65 HydrophobicContact CD1-CB 3.67Å
45	V	93.5	Very high	85.1	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.7	165.9	179.7	0	0	0	0	109.1	P35 C38 W62 T63 Q65 L66 D67	P35-V45 HydrophobicContact CG-CG1 4.45Å; C38-V45 HydrophobicContact CB-CG1 4.31Å; V45-W62 HydrophobicContact CG2-CH2 3.92Å; V45-W62 HydrophobicContact CG2-CZ3 3.88Å; V45-T63 HydrophobicContact CB-CG2 4.02Å; V45-T63 HydrophobicContact CG2-CG2 3.77Å; V45-T63 WeakPolarHBondContact CG2-OG1 3.32Å; V45-Q65 PolarHBondContact N-O 3.29Å; V45-L66 HydrophobicContact CB-CD1 3.95Å; V45-L66 HydrophobicContact CG1-CD1 3.97Å; V45-L66 WeakPolarHBondContact O-CA 3.4Å; V45-D67 PolarHBondContact O-N 2.79Å
46	D	92.4	Very high	84.8	Confident	56 Å²	56	74 Å²	74	30%	0.299	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	102.1	177.8	-178.5	9.3	0	0	0	110.8	C38 L39 G48	C38-D46 CarbonylContact C-O 3.54Å; C38-D46 VanDerWaalsContact CA-O 3.25Å; C38-D46 WeakPolarHBondContact CA-O 3.5Å; C38-D46 VanDerWaalsContact CB-O 3.25Å; C38-D46 WeakPolarHBondContact CB-O 3.32Å; L39-D46 PolarHBondContact N-O 3.28Å; L39-D46 PolarHBondContact O-N 3.49Å; D46-G48 WeakPolarHBondContact OD1-CA 3.34Å; D46-G48 PolarHBondContact OD1-N 2.77Å
47	C	91	Very high	84.6	Confident	4 Å²	4	75.6 Å²	75.6	3%	0.027	39%	0.387	C	S	.	.			trans	-105.2	18.6	169	-61.2	0	0	0	0	111.7	C38 V50 D67 L68 N71	C38-C47 HydrophobicContact CB-CB 3.97Å; C38-C47 WeakPolarHBondContact CB-SG 3.29Å; C38-C47 VanDerWaalsContact SG-CA 3.52Å; C38-C47 WeakPolarHBondContact SG-CB 3.37Å; C38-C47 CovalentContact SG-SG 2.03Å; C38-C47 PolarHBondContact SG-SG 2.84Å; C47-V50 VanDerWaalsContact O-CG2 3.28Å; C47-V50 WeakPolarHBondContact O-CG2 3.38Å; C47-D67 CarbonylContact C-O 3.5Å; C47-D67 VanDerWaalsContact C-O 3.3Å; C47-D67 VanDerWaalsContact CA-O 3.3Å; C47-D67 WeakPolarHBondContact CA-O 3.38Å; C47-D67 WeakPolarHBondContact CB-O 3.35Å; C47-D67 PolarHBondContact N-O 2.7Å; C47-L68 HydrophobicContact CB-CD2 3.87Å; C47-N71 PolarHBondContact O-ND2 2.99Å
48	G	88.3	Confident	84.6	Confident	13 Å²	13	77.2 Å²	77.2	13%	0.134	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	152.6	-180	0	0	0	0	0	112.4	D46 V50 D67 S69	D46-G48 WeakPolarHBondContact OD1-CA 3.34Å; D46-G48 PolarHBondContact OD1-N 2.77Å; G48-V50 PolarHBondContact O-N 3.02Å; G48-D67 PolarHBondContact N-O 3.11Å; G48-S69 CarbonylContact C-O 3.52Å; G48-S69 VanDerWaalsContact CA-O 3.28Å; G48-S69 WeakPolarHBondContact CA-O 3.28Å
49	R	87.3	Confident	84.6	Confident	180 Å²	180	77.6 Å²	77.6	68%	0.679	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	9.7	173.5	-55.1	168.9	-179.1	176.8	2.8	115.6	K51 S69 H70	R49-K51 WeakPolarHBondContact O-CG 3.01Å; R49-K51 PolarHBondContact O-N 2.89Å; R49-K51 VanDerWaalsContact O-N 3.16Å; R49-S69 PolarHBondContact N-O 2.94Å; R49-H70 HydrophobicContact CB-CB 4.32Å; R49-H70 HydrophobicContact CG-CB 3.62Å
50	V	82.9	Confident	84.6	Confident	40 Å²	40	73.6 Å²	73.6	24%	0.242	38%	0.377	C	S	.	.			trans	-66.3	-11.8	177.2	171.7	0	0	0	0	112.8	P37 C47 G48 R52 N71	P37-V50 HydrophobicContact CG-CB 4.45Å; P37-V50 HydrophobicContact CG-CG1 3.56Å; P37-V50 HydrophobicContact CG-CG2 3.97Å; C47-V50 VanDerWaalsContact O-CG2 3.28Å; C47-V50 WeakPolarHBondContact O-CG2 3.38Å; G48-V50 PolarHBondContact O-N 3.02Å; V50-R52 HydrophobicContact CG1-CB 4.13Å; V50-R52 HydrophobicContact CG1-CG 3.76Å; V50-R52 PolarHBondContact O-N 3.22Å; V50-R52 VanDerWaalsContact O-N 3.1Å; V50-N71 PolarHBondContact N-OD1 3.1Å
51	K	78	Confident	84.5	Confident	148 Å²	148	77.9 Å²	77.9	64%	0.643	39%	0.393	S	S	*	.			trans	58.6	17.4	176.6	-63.2	168.2	-170.6	174.3	0	114.6	R49 N71 K72	R49-K51 WeakPolarHBondContact O-CG 3.01Å; R49-K51 PolarHBondContact O-N 2.89Å; R49-K51 VanDerWaalsContact O-N 3.16Å; K51-N71 PolarHBondContact N-OD1 3Å; K51-K72 VanDerWaalsContact O-CD 3.26Å; K51-K72 WeakPolarHBondContact O-CD 3.46Å; K51-K72 WeakPolarHBondContact O-CE 3.46Å; K51-K72 PolarHBondContact O-NZ 2.94Å
52	R	76.2	Confident	84.5	Confident	134 Å²	134	74.6 Å²	74.6	51%	0.506	38%	0.377	S	S	.	.			trans	-86.4	158.1	178.4	-78.3	-179.9	-177.8	-165.7	0.7	111.8	V50 N71 K72	V50-R52 HydrophobicContact CG1-CB 4.13Å; V50-R52 HydrophobicContact CG1-CG 3.76Å; V50-R52 PolarHBondContact O-N 3.22Å; V50-R52 VanDerWaalsContact O-N 3.1Å; R52-N71 PolarHBondContact N-OD1 3.36Å; R52-K72 WeakPolarHBondContact O-CA 3.47Å; R52-K72 PolarHBondContact O-N 3.48Å
53	G	73.3	Confident	84.7	Confident	47 Å²	47	71.4 Å²	71.4	49%	0.485	34%	0.344	S	S	.	.	S	Bend	trans	-100.9	6.9	173.8	0	0	0	0	0	114.2
54	R	75.8	Confident	84.9	Confident	209 Å²	209	66.9 Å²	66.9	79%	0.789	32%	0.324	S	S	*	.	S	Bend	trans	-137.9	150.8	173.9	-66.7	-173.9	-178.3	-176.7	-0.3	108.8
55	I	79.9	Confident	85	Confident	25 Å²	25	68 Å²	68	13%	0.128	33%	0.328	C	S	.	.			trans	-80.2	155.7	173.5	-53.8	161.6	0	0	0	108.1	I59 L68 L73 L76 L80 F81	I55-I59 HydrophobicContact CG2-CD1 3.8Å; I55-L68 HydrophobicContact CD1-CD1 3.94Å; I55-L68 HydrophobicContact CG1-CD1 4.09Å; I55-L68 HydrophobicContact CG2-CD1 4.39Å; I55-L68 HydrophobicContact CG2-CD2 4.01Å; I55-L73 HydrophobicContact CD1-CD1 4.46Å; I55-L73 HydrophobicContact CG1-CD1 4.02Å; I55-L73 HydrophobicContact CG1-CD2 3.92Å; I55-L76 HydrophobicContact CD1-CD2 3.89Å; I55-L76 HydrophobicContact CD1-CG 3.91Å; I55-L80 HydrophobicContact CB-CD2 3.81Å; I55-L80 HydrophobicContact CD1-CD2 4.08Å; I55-L80 HydrophobicContact CG2-CD2 3.39Å; I55-F81 HydrophobicContact CD1-CE2 3.95Å; I55-F81 HydrophobicContact CD1-CZ 3.96Å
56	P	76.7	Confident	85	Confident	18 Å²	18	68.1 Å²	68.1	12%	0.117	33%	0.329	C	S	.	.			trans	-57.8	144.3	170.1	-24.3	34.6	0	0	0	112.6	P35 T58	P35-P56 HydrophobicContact CB-CB 4.05Å; P56-T58 PolarHBondContact O-N 2.9Å
57	D	73.6	Confident	85.1	Confident	144 Å²	144	66.7 Å²	66.7	77%	0.77	32%	0.321	S	S	*	.	S	Bend	trans	-71.6	-11.6	-174.4	-48.1	-76	0	0	0	113.7
58	T	80.6	Confident	85.3	Confident	101 Å²	101	66.6 Å²	66.6	62%	0.62	32%	0.32	S	S	*	.			trans	-134.8	136.2	171.3	49.9	0	0	0	0	110.6	P35 P56	P35-T58 VanDerWaalsContact CB-O 3.25Å; P35-T58 WeakPolarHBondContact CB-O 3.41Å; P56-T58 PolarHBondContact O-N 2.9Å
59	I	87.8	Confident	85.6	Confident	18 Å²	18	66.3 Å²	66.3	9%	0.092	32%	0.316	C	S	.	.			trans	-130	138.4	170.8	-60.7	-179.7	0	0	0	106.7	I55 T63 L66 L80 L84	I55-I59 HydrophobicContact CG2-CD1 3.8Å; I59-T63 HydrophobicContact CG2-CG2 4.43Å; I59-L66 HydrophobicContact CD1-CD1 4.14Å; I59-L66 HydrophobicContact CD1-CD2 3.74Å; I59-L66 HydrophobicContact CG2-CD1 4.4Å; I59-L80 HydrophobicContact CD1-CD2 3.92Å; I59-L80 HydrophobicContact CD1-CG 4.49Å; I59-L84 HydrophobicContact CB-CD1 4.24Å; I59-L84 HydrophobicContact CB-CD2 4.01Å; I59-L84 HydrophobicContact CD1-CD1 4.39Å; I59-L84 HydrophobicContact CG2-CD1 3.91Å; I59-L84 HydrophobicContact CG2-CD2 3.74Å; I59-L84 HydrophobicContact CG2-CG 4.5Å
60	P	88.8	Confident	85.9	Confident	16 Å²	16	61 Å²	61	10%	0.104	30%	0.299	C	S	.	.			trans	-65.4	137	-177.4	-21.3	33.5	0	0	0	113.3	W62 T63 L84	P60-W62 HydrophobicContact CB-CD2 3.82Å; P60-W62 HydrophobicContact CB-CE3 4.47Å; P60-W62 HydrophobicContact CB-CG 4.19Å; P60-W62 HydrophobicContact CB-CH2 4.22Å; P60-W62 HydrophobicContact CB-CZ2 3.56Å; P60-W62 HydrophobicContact CG-CH2 4.12Å; P60-W62 HydrophobicContact CG-CZ2 3.63Å; P60-W62 PolarHBondContact O-N 2.87Å; P60-W62 VanDerWaalsContact O-N 3.14Å; P60-T63 VanDerWaalsContact O-CB 3.3Å; P60-T63 WeakPolarHBondContact O-CB 3.36Å; P60-T63 PolarHBondContact O-N 3.41Å; P60-T63 PolarHBondContact O-OG1 3.44Å; P60-L84 VanDerWaalsContact O-CD2 3.32Å; P60-L84 WeakPolarHBondContact O-CD2 3.36Å
61	E	88.3	Confident	86.4	Confident	128 Å²	128	59.9 Å²	59.9	60%	0.598	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.1	-175	-50.9	-171.8	152.8	0	0	113.7	T63 R83	E61-T63 PolarHBondContact O-N 3.48Å; E61-R83 WeakPolarHBondContact CG-O 3.31Å
62	W	88.4	Confident	87.1	Confident	61 Å²	61	57.7 Å²	57.7	23%	0.231	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-3.1	175	54.5	-111.2	0	0	0	114.6	C40 G42 V45 P60 V64	C40-W62 HydrophobicContact CB-CH2 4.13Å; G42-W62 WeakPolarHBondContact O-CZ3 3.34Å; V45-W62 HydrophobicContact CG2-CH2 3.92Å; V45-W62 HydrophobicContact CG2-CZ3 3.88Å; P60-W62 HydrophobicContact CB-CD2 3.82Å; P60-W62 HydrophobicContact CB-CE3 4.47Å; P60-W62 HydrophobicContact CB-CG 4.19Å; P60-W62 HydrophobicContact CB-CH2 4.22Å; P60-W62 HydrophobicContact CB-CZ2 3.56Å; P60-W62 HydrophobicContact CG-CH2 4.12Å; P60-W62 HydrophobicContact CG-CZ2 3.63Å; P60-W62 PolarHBondContact O-N 2.87Å; P60-W62 VanDerWaalsContact O-N 3.14Å; W62-V64 PolarHBondContact O-N 2.78Å
63	T	92.3	Very high	87.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.259	C	S	.	.			trans	-63.7	115.5	-176.2	-56.4	0	0	0	0	111.4	V45 I59 P60 E61 Q65 L66 H86 L87	V45-T63 HydrophobicContact CB-CG2 4.02Å; V45-T63 HydrophobicContact CG2-CG2 3.77Å; V45-T63 WeakPolarHBondContact CG2-OG1 3.32Å; I59-T63 HydrophobicContact CG2-CG2 4.43Å; P60-T63 VanDerWaalsContact O-CB 3.3Å; P60-T63 WeakPolarHBondContact O-CB 3.36Å; P60-T63 PolarHBondContact O-N 3.41Å; P60-T63 PolarHBondContact O-OG1 3.44Å; E61-T63 PolarHBondContact O-N 3.48Å; T63-Q65 WeakPolarHBondContact CG2-O 3.43Å; T63-L66 HydrophobicContact CG2-CB 4Å; T63-H86 CarbonylContact O-C 3.29Å; T63-L87 HydrophobicContact CG2-CD1 4.29Å; T63-L87 WeakPolarHBondContact O-CA 3.31Å; T63-L87 PolarHBondContact O-N 2.92Å
64	V	94.6	Very high	88.7	Confident	18 Å²	18	54.6 Å²	54.6	11%	0.109	26%	0.261	C	S	.	.	S	Bend	trans	-95.9	-31.4	174.3	-178	0	0	0	0	111.4	E43 W62 H86 K88 E89	E43-V64 HydrophobicContact CB-CB 3.82Å; E43-V64 HydrophobicContact CB-CG2 3.87Å; E43-V64 HydrophobicContact CG-CG2 4.16Å; E43-V64 PolarHBondContact O-N 2.85Å; E43-V64 WeakPolarHBondContact OE2-CG2 3.41Å; W62-V64 PolarHBondContact O-N 2.78Å; V64-H86 WeakPolarHBondContact CA-O 3.42Å; V64-H86 HydrophobicContact CG2-CB 4.13Å; V64-K88 HydrophobicContact CG1-CB 4.06Å; V64-K88 HydrophobicContact CG1-CD 3.94Å; V64-K88 HydrophobicContact CG1-CG 4.1Å; V64-K88 PolarHBondContact O-N 2.83Å; V64-E89 PolarHBondContact O-N 2.85Å; V64-E89 VanDerWaalsContact O-N 3.11Å
65	Q	95.8	Very high	89.1	Confident	69 Å²	69	50.5 Å²	50.5	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.5	176.9	-52.4	-176.6	12.2	0	0	110.2	E43 L44 V45 T63 E89	E43-Q65 PolarHBondContact O-N 2.79Å; L44-Q65 WeakPolarHBondContact CA-O 3.24Å; L44-Q65 HydrophobicContact CB-CB 4.28Å; L44-Q65 HydrophobicContact CD1-CB 3.67Å; V45-Q65 PolarHBondContact N-O 3.29Å; T63-Q65 WeakPolarHBondContact CG2-O 3.43Å; Q65-E89 WeakPolarHBondContact CA-O 3.25Å; Q65-E89 HydrophobicContact CB-CB 4.37Å; Q65-E89 HydrophobicContact CG-CB 4.16Å
66	L	94.3	Very high	89.4	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.5	-179.2	-179.4	59.3	0	0	0	110.9	V45 I59 T63 L68 F81 L84 L87 E89 L90 K91	V45-L66 HydrophobicContact CB-CD1 3.95Å; V45-L66 HydrophobicContact CG1-CD1 3.97Å; V45-L66 WeakPolarHBondContact O-CA 3.4Å; I59-L66 HydrophobicContact CD1-CD1 4.14Å; I59-L66 HydrophobicContact CD1-CD2 3.74Å; I59-L66 HydrophobicContact CG2-CD1 4.4Å; T63-L66 HydrophobicContact CG2-CB 4Å; L66-L68 HydrophobicContact CD1-CD2 4.02Å; L66-L68 HydrophobicContact CD1-CG 4.45Å; L66-L68 HydrophobicContact CD2-CD1 4.22Å; L66-L68 HydrophobicContact CD2-CD2 4.42Å; L66-L68 HydrophobicContact CD2-CG 4.3Å; L66-L68 HydrophobicContact CG-CD1 4.46Å; L66-L68 HydrophobicContact CG-CD2 4.12Å; L66-L68 HydrophobicContact CG-CG 4.02Å; L66-F81 HydrophobicContact CD2-CE1 3.88Å; L66-L84 HydrophobicContact CD2-CD1 4.2Å; L66-L87 HydrophobicContact CB-CD1 3.65Å; L66-E89 PolarHBondContact N-O 3.33Å; L66-L90 HydrophobicContact CB-CD1 4.04Å; L66-L90 HydrophobicContact CD2-CD1 3.96Å; L66-L90 HydrophobicContact CG-CD1 4.03Å; L66-K91 PolarHBondContact O-N 3.47Å
67	D	94.5	Very high	89.6	Confident	25 Å²	25	53.8 Å²	53.8	13%	0.134	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.8	174.1	-161.3	-39.6	0	0	0	111.1	V45 C47 G48 S69 K91	V45-D67 PolarHBondContact O-N 2.79Å; C47-D67 CarbonylContact C-O 3.5Å; C47-D67 VanDerWaalsContact C-O 3.3Å; C47-D67 VanDerWaalsContact CA-O 3.3Å; C47-D67 WeakPolarHBondContact CA-O 3.38Å; C47-D67 WeakPolarHBondContact CB-O 3.35Å; C47-D67 PolarHBondContact N-O 2.7Å; G48-D67 PolarHBondContact N-O 3.11Å; D67-S69 WeakPolarHBondContact OD1-CA 3.44Å; D67-S69 WeakPolarHBondContact OD1-CB 3.33Å; D67-S69 PolarHBondContact OD1-N 3.21Å; D67-S69 PolarHBondContact OD1-OG 3.41Å; D67-K91 HydrophobicContact CB-CB 4.4Å; D67-K91 HydrophobicContact CB-CD 4.32Å; D67-K91 WeakPolarHBondContact OD2-CD 3.46Å
68	L	93.9	Very high	89.6	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.01	25%	0.247	C	C	.	.			trans	-115.9	16.1	175.3	-58.9	-178.6	0	0	0	111.4	C47 I55 L66 N71 L73 L76 F81 L90 K91 L92 N95	C47-L68 HydrophobicContact CB-CD2 3.87Å; I55-L68 HydrophobicContact CD1-CD1 3.94Å; I55-L68 HydrophobicContact CG1-CD1 4.09Å; I55-L68 HydrophobicContact CG2-CD1 4.39Å; I55-L68 HydrophobicContact CG2-CD2 4.01Å; L66-L68 HydrophobicContact CD1-CD2 4.02Å; L66-L68 HydrophobicContact CD1-CG 4.45Å; L66-L68 HydrophobicContact CD2-CD1 4.22Å; L66-L68 HydrophobicContact CD2-CD2 4.42Å; L66-L68 HydrophobicContact CD2-CG 4.3Å; L66-L68 HydrophobicContact CG-CD1 4.46Å; L66-L68 HydrophobicContact CG-CD2 4.12Å; L66-L68 HydrophobicContact CG-CG 4.02Å; L68-N71 PolarHBondContact O-ND2 2.95Å; L68-L73 HydrophobicContact CB-CD1 4.05Å; L68-L73 HydrophobicContact CD1-CD1 4.34Å; L68-L76 HydrophobicContact CD1-CD2 4.42Å; L68-F81 HydrophobicContact CD1-CZ 4.01Å; L68-L90 HydrophobicContact CD1-CD1 4.11Å; L68-L90 HydrophobicContact CG-CD1 4.4Å; L68-K91 CarbonylContact C-O 3.35Å; L68-K91 WeakPolarHBondContact CA-O 3.28Å; L68-K91 PolarHBondContact N-O 3.06Å; L68-L92 HydrophobicContact CB-CD2 3.7Å; L68-L92 HydrophobicContact CB-CG 4.44Å; L68-L92 HydrophobicContact CD1-CD2 3.87Å; L68-L92 HydrophobicContact CG-CD2 4.38Å; L68-N95 PolarHBondContact O-ND2 2.87Å
69	S	94.6	Very high	89.6	Confident	8 Å²	8	48.4 Å²	48.4	6%	0.056	25%	0.247	C	C	.	.			trans	-70.7	163.9	-170.8	71.5	0	0	0	0	114.2	G48 R49 D67 N71 N93	G48-S69 CarbonylContact C-O 3.52Å; G48-S69 VanDerWaalsContact CA-O 3.28Å; G48-S69 WeakPolarHBondContact CA-O 3.28Å; R49-S69 PolarHBondContact N-O 2.94Å; D67-S69 WeakPolarHBondContact OD1-CA 3.44Å; D67-S69 WeakPolarHBondContact OD1-CB 3.33Å; D67-S69 PolarHBondContact OD1-N 3.21Å; D67-S69 PolarHBondContact OD1-OG 3.41Å; S69-N71 PolarHBondContact O-N 2.94Å; S69-N71 VanDerWaalsContact O-N 3.11Å; S69-N71 PolarHBondContact O-ND2 2.89Å; S69-N93 CarbonylContact C-O 3.52Å; S69-N93 WeakPolarHBondContact CA-O 3.27Å; S69-N93 VanDerWaalsContact CB-O 3.28Å; S69-N93 WeakPolarHBondContact CB-O 3.43Å; S69-N93 WeakPolarHBondContact CB-OD1 3.36Å
70	H	94.8	Very high	89.2	Confident	68 Å²	68	49.3 Å²	49.3	32%	0.315	25%	0.252	S	S	.	.	S	Bend	trans	54.4	32	177	-62.5	-87.7	0	0	0	114.4	R49 N93 H94	R49-H70 HydrophobicContact CB-CB 4.32Å; R49-H70 HydrophobicContact CG-CB 3.62Å; H70-N93 PolarHBondContact N-O 2.98Å; H70-H94 CarbonylContact C-O 3.58Å; H70-H94 VanDerWaalsContact CA-O 3.26Å; H70-H94 WeakPolarHBondContact CA-O 3.14Å; H70-H94 HydrophobicContact CB-CB 4.37Å; H70-H94 AromaticContact CD2-ND1 3.92Å; H70-H94 AromaticContact CE1-CD2 3.93Å; H70-H94 AromaticContact CE1-CE1 3.45Å; H70-H94 PolarHBondContact CE1-CE1 2.98Å; H70-H94 VanDerWaalsContact CE1-CE1 3.45Å; H70-H94 AromaticContact CE1-CG 3.44Å; H70-H94 VanDerWaalsContact CE1-CG 3.44Å; H70-H94 AromaticContact CE1-ND1 3.11Å; H70-H94 PolarHBondContact CE1-ND1 2.81Å; H70-H94 AromaticContact CE1-NE2 3.94Å; H70-H94 PolarHBondContact N-O 3.47Å; H70-H94 AromaticContact ND1-CG 3.55Å; H70-H94 AromaticContact ND1-ND1 3.65Å; H70-H94 AromaticContact NE2-CE1 3.75Å; H70-H94 AromaticContact NE2-CG 4Å; H70-H94 AromaticContact NE2-ND1 3.29Å; H70-H94 PolarHBondContact NE2-ND1 3.42Å
71	N	92.6	Very high	89.1	Confident	17 Å²	17	48.6 Å²	48.6	9%	0.091	25%	0.247	C	C	.	.	S	Bend	trans	-104	-159.4	178.7	-83.9	-58.9	0	0	0	110.7	C47 V50 K51 R52 L68 S69 L73 H94 N95	C47-N71 PolarHBondContact O-ND2 2.99Å; V50-N71 PolarHBondContact N-OD1 3.1Å; K51-N71 PolarHBondContact N-OD1 3Å; R52-N71 PolarHBondContact N-OD1 3.36Å; L68-N71 PolarHBondContact O-ND2 2.95Å; S69-N71 PolarHBondContact O-N 2.94Å; S69-N71 VanDerWaalsContact O-N 3.11Å; S69-N71 PolarHBondContact O-ND2 2.89Å; N71-L73 HydrophobicContact CB-CG 4.18Å; N71-H94 PolarHBondContact N-O 2.83Å; N71-N95 VanDerWaalsContact CA-OD1 3.32Å; N71-N95 WeakPolarHBondContact CA-OD1 3.4Å; N71-N95 WeakPolarHBondContact CB-OD1 3.49Å; N71-N95 PolarHBondContact N-OD1 2.99Å; N71-N95 PolarHBondContact O-OD1 2.72Å
72	K	92.8	Very high	88.7	Confident	101 Å²	101	45.2 Å²	45.2	44%	0.439	24%	0.238	S	C	.	.			trans	-125.5	24.9	178.6	-57.7	175.9	-171.8	151.7	0	112	K51 R52 N95	K51-K72 VanDerWaalsContact O-CD 3.26Å; K51-K72 WeakPolarHBondContact O-CD 3.46Å; K51-K72 WeakPolarHBondContact O-CE 3.46Å; K51-K72 PolarHBondContact O-NZ 2.94Å; R52-K72 WeakPolarHBondContact O-CA 3.47Å; R52-K72 PolarHBondContact O-N 3.48Å; K72-N95 PolarHBondContact N-OD1 2.85Å
73	L	91.6	Very high	88.3	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.016	26%	0.256	C	S	.	.			trans	-62.7	138	-178.7	-55.5	177.7	0	0	0	110.2	I55 L68 N71 L92 N95 K96 L97	I55-L73 HydrophobicContact CD1-CD1 4.46Å; I55-L73 HydrophobicContact CG1-CD1 4.02Å; I55-L73 HydrophobicContact CG1-CD2 3.92Å; L68-L73 HydrophobicContact CB-CD1 4.05Å; L68-L73 HydrophobicContact CD1-CD1 4.34Å; N71-L73 HydrophobicContact CB-CG 4.18Å; L73-L92 HydrophobicContact CD1-CD2 3.75Å; L73-N95 HydrophobicContact CB-CB 4.33Å; L73-N95 WeakPolarHBondContact CB-OD1 3.34Å; L73-N95 WeakPolarHBondContact CG-OD1 3.46Å; L73-N95 PolarHBondContact N-OD1 2.78Å; L73-K96 CarbonylContact O-C 3.5Å; L73-K96 VanDerWaalsContact O-C 3.29Å; L73-K96 VanDerWaalsContact O-CA 3.27Å; L73-K96 WeakPolarHBondContact O-CA 3.2Å; L73-K96 WeakPolarHBondContact O-CB 3.13Å; L73-K96 PolarHBondContact O-N 3.49Å; L73-L97 HydrophobicContact CB-CD2 4.02Å; L73-L97 PolarHBondContact O-N 2.88Å
74	Q	90.8	Very high	88.2	Confident	114 Å²	114	50.3 Å²	50.3	53%	0.533	26%	0.257	S	S	.	.	S	Bend	trans	-120.6	-36.7	179.3	-74.8	168.6	79.4	0	0	111.6	K96	Q74-K96 HydrophobicContact CG-CB 3.69Å; Q74-K96 HydrophobicContact CG-CD 4.26Å
75	V	85.6	Confident	87.8	Confident	122 Å²	122	52.4 Å²	52.4	74%	0.739	27%	0.271	S	S	*	.			trans	-135.3	151.5	174.5	-179.5	0	0	0	0	106.9
76	L	85.8	Confident	87.6	Confident	17 Å²	17	54.5 Å²	54.5	9%	0.089	28%	0.28	C	S	.	.			trans	-113.6	147	170.3	-77.7	83.8	0	0	0	109.1	I55 L68 F81 L92 L97 P101 L103	I55-L76 HydrophobicContact CD1-CD2 3.89Å; I55-L76 HydrophobicContact CD1-CG 3.91Å; L68-L76 HydrophobicContact CD1-CD2 4.42Å; L76-F81 HydrophobicContact CB-CE2 4.38Å; L76-F81 HydrophobicContact CD2-CE2 3.71Å; L76-F81 HydrophobicContact CD2-CZ 3.6Å; L76-L92 HydrophobicContact CD1-CD1 4.36Å; L76-L92 HydrophobicContact CD1-CD2 4.16Å; L76-L92 HydrophobicContact CD2-CD1 3.8Å; L76-L92 HydrophobicContact CD2-CD2 3.94Å; L76-L97 HydrophobicContact CD1-CD1 3.85Å; L76-L97 HydrophobicContact CD1-CD2 3.39Å; L76-L97 HydrophobicContact CD1-CG 4.28Å; L76-P101 HydrophobicContact CB-CB 4.11Å; L76-P101 HydrophobicContact CD1-CB 3.98Å; L76-P101 HydrophobicContact CD2-CB 4.36Å; L76-P101 HydrophobicContact CG-CB 4.36Å; L76-L103 HydrophobicContact CD2-CD2 4.01Å
77	D	79.6	Confident	87.5	Confident	96 Å²	96	54.4 Å²	54.4	51%	0.513	28%	0.28	S	S	.	.			trans	-95.5	111.2	172.3	-176.8	-6.9	0	0	0	109.1	N79 L80 F81	D77-N79 PolarHBondContact O-N 2.87Å; D77-N79 VanDerWaalsContact OD1-CB 3.3Å; D77-N79 WeakPolarHBondContact OD1-CB 3.41Å; D77-N79 PolarHBondContact OD1-N 2.83Å; D77-N79 PolarHBondContact OD1-ND2 2.86Å; D77-L80 WeakPolarHBondContact O-CB 3.42Å; D77-L80 PolarHBondContact O-N 3.49Å; D77-F81 WeakPolarHBondContact O-CD2 3.01Å
78	G	74.3	Confident	87.6	Confident	15 Å²	15	58.6 Å²	58.6	16%	0.155	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-21.9	-179.8	0	0	0	0	0	114	L80 F81 S82	G78-L80 PolarHBondContact O-N 2.81Å; G78-F81 PolarHBondContact O-N 2.85Å; G78-F81 VanDerWaalsContact O-N 3.14Å; G78-S82 PolarHBondContact O-N 3.38Å
79	N	79.7	Confident	87.8	Confident	117 Å²	117	60.6 Å²	60.6	63%	0.626	31%	0.306	S	S	*	.	H	α-helix	trans	-62.8	-31.3	177.1	-65.1	-75	0	0	0	112.1	D77 F81 S82	D77-N79 PolarHBondContact O-N 2.87Å; D77-N79 VanDerWaalsContact OD1-CB 3.3Å; D77-N79 WeakPolarHBondContact OD1-CB 3.41Å; D77-N79 PolarHBondContact OD1-N 2.83Å; D77-N79 PolarHBondContact OD1-ND2 2.86Å; N79-F81 VanDerWaalsContact C-N 3.33Å; N79-S82 PolarHBondContact O-OG 3.45Å
80	L	80.3	Confident	87.9	Confident	37 Å²	37	60.2 Å²	60.2	19%	0.194	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-39.9	176.3	-170.7	75.6	0	0	0	111.6	I55 I59 D77 G78	I55-L80 HydrophobicContact CB-CD2 3.81Å; I55-L80 HydrophobicContact CD1-CD2 4.08Å; I55-L80 HydrophobicContact CG2-CD2 3.39Å; I59-L80 HydrophobicContact CD1-CD2 3.92Å; I59-L80 HydrophobicContact CD1-CG 4.49Å; D77-L80 WeakPolarHBondContact O-CB 3.42Å; D77-L80 PolarHBondContact O-N 3.49Å; G78-L80 PolarHBondContact O-N 2.81Å
81	F	85.8	Confident	88	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-77.5	-26.2	-175.2	-67.4	-90	0	0	0	112.6	I55 L66 L68 L76 D77 G78 N79 R83 L84 L87 L90 L103 S106	I55-F81 HydrophobicContact CD1-CE2 3.95Å; I55-F81 HydrophobicContact CD1-CZ 3.96Å; L66-F81 HydrophobicContact CD2-CE1 3.88Å; L68-F81 HydrophobicContact CD1-CZ 4.01Å; L76-F81 HydrophobicContact CB-CE2 4.38Å; L76-F81 HydrophobicContact CD2-CE2 3.71Å; L76-F81 HydrophobicContact CD2-CZ 3.6Å; D77-F81 WeakPolarHBondContact O-CD2 3.01Å; G78-F81 PolarHBondContact O-N 2.85Å; G78-F81 VanDerWaalsContact O-N 3.14Å; N79-F81 VanDerWaalsContact C-N 3.33Å; F81-R83 PolarHBondContact O-N 2.69Å; F81-L84 HydrophobicContact CD1-CD1 4.21Å; F81-L84 WeakPolarHBondContact O-CB 3.39Å; F81-L84 PolarHBondContact O-N 2.79Å; F81-L87 HydrophobicContact CD1-CD2 3.95Å; F81-L87 HydrophobicContact CE1-CD2 4.36Å; F81-L90 HydrophobicContact CE1-CD1 4.17Å; F81-L90 HydrophobicContact CE1-CD2 4.08Å; F81-L103 HydrophobicContact CB-CB 4.03Å; F81-L103 VanDerWaalsContact CB-O 3.31Å; F81-L103 WeakPolarHBondContact CB-O 3.38Å; F81-L103 HydrophobicContact CD1-CD2 3.98Å; F81-L103 HydrophobicContact CD2-CD2 3.74Å; F81-L103 HydrophobicContact CE1-CD2 4.08Å; F81-L103 HydrophobicContact CE2-CD2 3.88Å; F81-L103 HydrophobicContact CG-CB 4.14Å; F81-L103 HydrophobicContact CG-CD2 3.82Å; F81-L103 HydrophobicContact CZ-CD2 4.06Å; F81-S106 WeakPolarHBondContact O-CB 3.37Å; F81-S106 PolarHBondContact O-OG 2.03Å
82	S	80.6	Confident	88.2	Confident	58 Å²	58	58.1 Å²	58.1	41%	0.406	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-16.2	176.7	72.6	0	0	0	0	115.3	G78 N79	G78-S82 PolarHBondContact O-N 3.38Å; N79-S82 PolarHBondContact O-OG 3.45Å
83	R	81.1	Confident	88.3	Confident	166 Å²	166	54.7 Å²	54.7	63%	0.626	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	5.8	176.8	-54.8	-174.6	-172.6	-179.8	2.4	113.9	E61 F81 P85	E61-R83 WeakPolarHBondContact CG-O 3.31Å; F81-R83 PolarHBondContact O-N 2.69Å; R83-P85 VanDerWaalsContact C-CD 3.42Å; R83-P85 WeakPolarHBondContact O-CD 3.01Å
84	L	88.9	Confident	88.6	Confident	1 Å²	1	58 Å²	58	1%	0.005	29%	0.294	C	S	.	.			trans	-113.9	75.6	-178.1	-55.2	-179.5	0	0	0	109.5	I59 P60 L66 F81 H86 L87 S106	I59-L84 HydrophobicContact CB-CD1 4.24Å; I59-L84 HydrophobicContact CB-CD2 4.01Å; I59-L84 HydrophobicContact CD1-CD1 4.39Å; I59-L84 HydrophobicContact CG2-CD1 3.91Å; I59-L84 HydrophobicContact CG2-CD2 3.74Å; I59-L84 HydrophobicContact CG2-CG 4.5Å; P60-L84 VanDerWaalsContact O-CD2 3.32Å; P60-L84 WeakPolarHBondContact O-CD2 3.36Å; L66-L84 HydrophobicContact CD2-CD1 4.2Å; F81-L84 HydrophobicContact CD1-CD1 4.21Å; F81-L84 WeakPolarHBondContact O-CB 3.39Å; F81-L84 PolarHBondContact O-N 2.79Å; L84-H86 VanDerWaalsContact C-N 3.27Å; L84-H86 PolarHBondContact O-N 2.82Å; L84-L87 HydrophobicContact CB-CB 4.08Å; L84-L87 HydrophobicContact CD1-CD2 4.22Å; L84-S106 WeakPolarHBondContact O-CB 3.47Å; L84-S106 PolarHBondContact O-OG 2.7Å
85	P	86.5	Confident	88.8	Confident	62 Å²	62	53.2 Å²	53.2	40%	0.403	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.5	-175.7	29.4	-36.1	0	0	0	113.1	R83 N109	R83-P85 VanDerWaalsContact C-CD 3.42Å; R83-P85 WeakPolarHBondContact O-CD 3.01Å; P85-N109 PolarHBondContact O-ND2 3.26Å
86	H	90.7	Very high	89.3	Confident	113 Å²	113	51 Å²	51	52%	0.523	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-1.2	-176	-60.9	-58.6	0	0	0	114.5	T63 V64 L84 K88	T63-H86 CarbonylContact O-C 3.29Å; V64-H86 WeakPolarHBondContact CA-O 3.42Å; V64-H86 HydrophobicContact CG2-CB 4.13Å; L84-H86 VanDerWaalsContact C-N 3.27Å; L84-H86 PolarHBondContact O-N 2.82Å; H86-K88 PolarHBondContact O-N 2.79Å
87	L	94	Very high	89.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.249	C	C	.	.			trans	-67.7	119.6	-174.3	-175.9	66.5	0	0	0	112.1	T63 L66 F81 L84 E89 N109 I110	T63-L87 HydrophobicContact CG2-CD1 4.29Å; T63-L87 WeakPolarHBondContact O-CA 3.31Å; T63-L87 PolarHBondContact O-N 2.92Å; L66-L87 HydrophobicContact CB-CD1 3.65Å; F81-L87 HydrophobicContact CD1-CD2 3.95Å; F81-L87 HydrophobicContact CE1-CD2 4.36Å; L84-L87 HydrophobicContact CB-CB 4.08Å; L84-L87 HydrophobicContact CD1-CD2 4.22Å; L87-E89 WeakPolarHBondContact CD1-O 3.27Å; L87-N109 CarbonylContact O-C 3.45Å; L87-I110 HydrophobicContact CD2-CD1 4.15Å; L87-I110 HydrophobicContact CD2-CG1 4.49Å; L87-I110 HydrophobicContact CG-CD1 4.5Å; L87-I110 HydrophobicContact CG-CG1 4.32Å
88	K	96.1	Very high	90.5	Very high	113 Å²	113	50.4 Å²	50.4	49%	0.491	25%	0.246	S	C	.	.			trans	-115.1	-33.3	178.9	-67.4	177.9	-173.8	172.1	0	113.5	V64 H86 I110 T111 T112	V64-K88 HydrophobicContact CG1-CB 4.06Å; V64-K88 HydrophobicContact CG1-CD 3.94Å; V64-K88 HydrophobicContact CG1-CG 4.1Å; V64-K88 PolarHBondContact O-N 2.83Å; H86-K88 PolarHBondContact O-N 2.79Å; K88-I110 CarbonylContact O-C 3.58Å; K88-I110 WeakPolarHBondContact O-CA 3.49Å; K88-T111 PolarHBondContact O-N 3.15Å; K88-T111 PolarHBondContact O-OG1 2.88Å; K88-T112 PolarHBondContact O-N 2.84Å
89	E	97.4	Very high	91.5	Very high	45 Å²	45	52.3 Å²	52.3	21%	0.21	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	125.3	-178.5	-176.2	171.2	149.8	0	0	111.6	V64 Q65 L66 L87 K91 T112	V64-E89 PolarHBondContact O-N 2.85Å; V64-E89 VanDerWaalsContact O-N 3.11Å; Q65-E89 WeakPolarHBondContact CA-O 3.25Å; Q65-E89 HydrophobicContact CB-CB 4.37Å; Q65-E89 HydrophobicContact CG-CB 4.16Å; L66-E89 PolarHBondContact N-O 3.33Å; L87-E89 WeakPolarHBondContact CD1-O 3.27Å; E89-K91 WeakPolarHBondContact OE1-CE 3.39Å; E89-K91 IonicContact OE1-NZ 2.7Å; E89-K91 PolarHBondContact OE1-NZ 2.91Å; E89-T112 WeakPolarHBondContact CA-O 3.38Å; E89-T112 HydrophobicContact CG-CG2 3.93Å
90	L	96.6	Very high	92.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.1	179.3	-178.3	59	0	0	0	111.1	L66 L68 F81 L92 L103 I110 T112 L113 I114	L66-L90 HydrophobicContact CB-CD1 4.04Å; L66-L90 HydrophobicContact CD2-CD1 3.96Å; L66-L90 HydrophobicContact CG-CD1 4.03Å; L68-L90 HydrophobicContact CD1-CD1 4.11Å; L68-L90 HydrophobicContact CG-CD1 4.4Å; F81-L90 HydrophobicContact CE1-CD1 4.17Å; F81-L90 HydrophobicContact CE1-CD2 4.08Å; L90-L92 HydrophobicContact CD1-CD1 4.48Å; L90-L92 HydrophobicContact CD1-CG 4.37Å; L90-L92 HydrophobicContact CD2-CD1 3.78Å; L90-L92 HydrophobicContact CG-CD1 3.94Å; L90-L92 HydrophobicContact CG-CG 4.15Å; L90-L103 HydrophobicContact CD2-CD1 3.46Å; L90-L103 VanDerWaalsContact CD2-CD1 3.46Å; L90-L103 HydrophobicContact CD2-CD2 4.08Å; L90-L103 HydrophobicContact CD2-CG 4.45Å; L90-I110 HydrophobicContact CB-CD1 4.31Å; L90-I110 HydrophobicContact CD2-CD1 4.17Å; L90-T112 PolarHBondContact N-O 3.38Å; L90-L113 HydrophobicContact CB-CD1 4.09Å; L90-L113 HydrophobicContact CD2-CD1 4.05Å; L90-L113 HydrophobicContact CG-CD1 4.19Å; L90-I114 PolarHBondContact O-N 3.1Å
91	K	97.1	Very high	92.7	Very high	41 Å²	41	45.6 Å²	45.6	18%	0.178	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.4	175.4	-60.4	175.5	175.7	90.9	0	110.3	L66 D67 L68 E89 I114	L66-K91 PolarHBondContact O-N 3.47Å; D67-K91 HydrophobicContact CB-CB 4.4Å; D67-K91 HydrophobicContact CB-CD 4.32Å; D67-K91 WeakPolarHBondContact OD2-CD 3.46Å; L68-K91 CarbonylContact C-O 3.35Å; L68-K91 WeakPolarHBondContact CA-O 3.28Å; L68-K91 PolarHBondContact N-O 3.06Å; E89-K91 WeakPolarHBondContact OE1-CE 3.39Å; E89-K91 IonicContact OE1-NZ 2.7Å; E89-K91 PolarHBondContact OE1-NZ 2.91Å; K91-I114 HydrophobicContact CG-CB 4.43Å; K91-I114 HydrophobicContact CG-CG1 4.32Å
92	L	96.3	Very high	92.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.248	C	C	.	.			trans	-126.3	12.8	-178.7	-84.7	167.1	0	0	0	112.8	L68 L73 L76 L90 N95 L97 P101 I114 L115 N118	L68-L92 HydrophobicContact CB-CD2 3.7Å; L68-L92 HydrophobicContact CB-CG 4.44Å; L68-L92 HydrophobicContact CD1-CD2 3.87Å; L68-L92 HydrophobicContact CG-CD2 4.38Å; L73-L92 HydrophobicContact CD1-CD2 3.75Å; L76-L92 HydrophobicContact CD1-CD1 4.36Å; L76-L92 HydrophobicContact CD1-CD2 4.16Å; L76-L92 HydrophobicContact CD2-CD1 3.8Å; L76-L92 HydrophobicContact CD2-CD2 3.94Å; L90-L92 HydrophobicContact CD1-CD1 4.48Å; L90-L92 HydrophobicContact CD1-CG 4.37Å; L90-L92 HydrophobicContact CD2-CD1 3.78Å; L90-L92 HydrophobicContact CG-CD1 3.94Å; L90-L92 HydrophobicContact CG-CG 4.15Å; L92-N95 WeakPolarHBondContact O-CB 3.41Å; L92-N95 PolarHBondContact O-ND2 2.85Å; L92-L97 HydrophobicContact CB-CD1 4.15Å; L92-L97 HydrophobicContact CD1-CD1 4.19Å; L92-L97 HydrophobicContact CD2-CD1 4.28Å; L92-L97 HydrophobicContact CG-CD1 4.46Å; L92-P101 HydrophobicContact CD1-CG 3.96Å; L92-I114 CarbonylContact C-O 3.16Å; L92-I114 WeakPolarHBondContact CA-O 3.28Å; L92-I114 PolarHBondContact N-O 2.92Å; L92-L115 HydrophobicContact CB-CD2 3.81Å; L92-L115 HydrophobicContact CD1-CD2 4.03Å; L92-N118 PolarHBondContact O-ND2 3.36Å
93	N	96.6	Very high	93.4	Very high	28 Å²	28	47 Å²	47	15%	0.15	23%	0.228	C	C	.	.			trans	-66.8	154.6	-176.6	56.2	-54.9	0	0	0	113.8	S69 H70 I114 A116	S69-N93 CarbonylContact C-O 3.52Å; S69-N93 WeakPolarHBondContact CA-O 3.27Å; S69-N93 VanDerWaalsContact CB-O 3.28Å; S69-N93 WeakPolarHBondContact CB-O 3.43Å; S69-N93 WeakPolarHBondContact CB-OD1 3.36Å; H70-N93 PolarHBondContact N-O 2.98Å; N93-I114 HydrophobicContact CB-CG2 4.12Å; N93-I114 PolarHBondContact N-O 2.85Å; N93-A116 CarbonylContact C-O 3.56Å; N93-A116 WeakPolarHBondContact CA-O 3.45Å; N93-A116 HydrophobicContact CB-CB 4.38Å; N93-A116 WeakPolarHBondContact CB-O 3.43Å
94	H	96.7	Very high	93.7	Very high	73 Å²	73	40.2 Å²	40.2	34%	0.338	21%	0.211	S	C	.	.	S	Bend	trans	57.8	47.8	-176.4	-54.7	101.1	0	0	0	113.2	H70 N71 A116 N117	H70-H94 CarbonylContact C-O 3.58Å; H70-H94 VanDerWaalsContact CA-O 3.26Å; H70-H94 WeakPolarHBondContact CA-O 3.14Å; H70-H94 HydrophobicContact CB-CB 4.37Å; H70-H94 AromaticContact CD2-ND1 3.92Å; H70-H94 AromaticContact CE1-CD2 3.93Å; H70-H94 AromaticContact CE1-CE1 3.45Å; H70-H94 PolarHBondContact CE1-CE1 2.98Å; H70-H94 VanDerWaalsContact CE1-CE1 3.45Å; H70-H94 AromaticContact CE1-CG 3.44Å; H70-H94 VanDerWaalsContact CE1-CG 3.44Å; H70-H94 AromaticContact CE1-ND1 3.11Å; H70-H94 PolarHBondContact CE1-ND1 2.81Å; H70-H94 AromaticContact CE1-NE2 3.94Å; H70-H94 PolarHBondContact N-O 3.47Å; H70-H94 AromaticContact ND1-CG 3.55Å; H70-H94 AromaticContact ND1-ND1 3.65Å; H70-H94 AromaticContact NE2-CE1 3.75Å; H70-H94 AromaticContact NE2-CG 4Å; H70-H94 AromaticContact NE2-ND1 3.29Å; H70-H94 PolarHBondContact NE2-ND1 3.42Å; N71-H94 PolarHBondContact N-O 2.83Å; H94-A116 PolarHBondContact N-O 2.93Å; H94-N117 WeakPolarHBondContact CA-O 3.01Å; H94-N117 HydrophobicContact CB-CB 4.46Å; H94-N117 WeakPolarHBondContact CD2-CB 3.39Å; H94-N117 PolarHBondContact N-O 3.49Å
95	N	95.7	Very high	93.5	Very high	13 Å²	13	44.7 Å²	44.7	7%	0.07	24%	0.24	C	C	.	.	S	Bend	trans	-117	-155.2	174	-87.6	-71.5	0	0	0	110.1	L68 N71 K72 L73 L92 L97 N117 N118	L68-N95 PolarHBondContact O-ND2 2.87Å; N71-N95 VanDerWaalsContact CA-OD1 3.32Å; N71-N95 WeakPolarHBondContact CA-OD1 3.4Å; N71-N95 WeakPolarHBondContact CB-OD1 3.49Å; N71-N95 PolarHBondContact N-OD1 2.99Å; N71-N95 PolarHBondContact O-OD1 2.72Å; K72-N95 PolarHBondContact N-OD1 2.85Å; L73-N95 HydrophobicContact CB-CB 4.33Å; L73-N95 WeakPolarHBondContact CB-OD1 3.34Å; L73-N95 WeakPolarHBondContact CG-OD1 3.46Å; L73-N95 PolarHBondContact N-OD1 2.78Å; L92-N95 WeakPolarHBondContact O-CB 3.41Å; L92-N95 PolarHBondContact O-ND2 2.85Å; N95-L97 HydrophobicContact CB-CG 4.25Å; N95-N117 PolarHBondContact N-O 2.97Å; N95-N118 VanDerWaalsContact CA-OD1 3.27Å; N95-N118 WeakPolarHBondContact CA-OD1 3.44Å; N95-N118 WeakPolarHBondContact CB-OD1 3.38Å; N95-N118 PolarHBondContact N-OD1 2.83Å; N95-N118 PolarHBondContact O-OD1 2.87Å
96	K	95.8	Very high	93.5	Very high	77 Å²	77	42 Å²	42	34%	0.335	22%	0.223	S	C	.	.			trans	-127.7	25.7	178	-58.6	-178.3	178	-174.7	0	112.1	L73 Q74 E98 N118	L73-K96 CarbonylContact O-C 3.5Å; L73-K96 VanDerWaalsContact O-C 3.29Å; L73-K96 VanDerWaalsContact O-CA 3.27Å; L73-K96 WeakPolarHBondContact O-CA 3.2Å; L73-K96 WeakPolarHBondContact O-CB 3.13Å; L73-K96 PolarHBondContact O-N 3.49Å; Q74-K96 HydrophobicContact CG-CB 3.69Å; Q74-K96 HydrophobicContact CG-CD 4.26Å; K96-E98 WeakPolarHBondContact O-CG 3.23Å; K96-E98 PolarHBondContact O-N 2.84Å; K96-N118 PolarHBondContact N-OD1 2.96Å
97	L	95.3	Very high	93.6	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.016	20%	0.198	C	C	.	.			trans	-65.8	128.9	-177.7	-54.2	-178.1	0	0	0	110.6	L73 L76 L92 N95 L115 N118 R119 I120	L73-L97 HydrophobicContact CB-CD2 4.02Å; L73-L97 PolarHBondContact O-N 2.88Å; L76-L97 HydrophobicContact CD1-CD1 3.85Å; L76-L97 HydrophobicContact CD1-CD2 3.39Å; L76-L97 HydrophobicContact CD1-CG 4.28Å; L92-L97 HydrophobicContact CB-CD1 4.15Å; L92-L97 HydrophobicContact CD1-CD1 4.19Å; L92-L97 HydrophobicContact CD2-CD1 4.28Å; L92-L97 HydrophobicContact CG-CD1 4.46Å; N95-L97 HydrophobicContact CB-CG 4.25Å; L97-L115 HydrophobicContact CD1-CD2 3.7Å; L97-N118 HydrophobicContact CB-CB 4.29Å; L97-N118 WeakPolarHBondContact CB-OD1 3.4Å; L97-N118 WeakPolarHBondContact CG-OD1 3.47Å; L97-N118 PolarHBondContact N-OD1 3.15Å; L97-R119 CarbonylContact O-C 3.59Å; L97-R119 VanDerWaalsContact O-CA 3.32Å; L97-R119 WeakPolarHBondContact O-CA 3.49Å; L97-R119 WeakPolarHBondContact O-CB 3.44Å; L97-R119 PolarHBondContact O-N 3.04Å; L97-I120 PolarHBondContact O-N 3.49Å
98	E	94.9	Very high	93.5	Very high	96 Å²	96	38.9 Å²	38.9	45%	0.449	21%	0.213	S	C	.	.	S	Bend	trans	-100.7	-6.7	-177.7	-45	-147.4	142.7	0	0	112.5	K96 R119 I120	K96-E98 WeakPolarHBondContact O-CG 3.23Å; K96-E98 PolarHBondContact O-N 2.84Å; E98-R119 HydrophobicContact CG-CB 3.99Å; E98-R119 WeakPolarHBondContact OE1-CD 3.4Å; E98-R119 IonicContact OE1-CZ 3.68Å; E98-R119 IonicContact OE1-NE 3.92Å; E98-R119 IonicContact OE1-NH1 2.72Å; E98-R119 PolarHBondContact OE1-NH1 2.78Å; E98-I120 WeakPolarHBondContact O-CA 3.46Å
99	A	94.4	Very high	93.4	Very high	55 Å²	55	36.9 Å²	36.9	46%	0.455	21%	0.208	S	C	.	.	S	Bend	trans	-143.4	168.1	171.3	0	0	0	0	0	111
100	I	94.9	Very high	93.4	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-66.2	131.4	167.4	-62.5	173.8	0	0	0	108.1	L115 I120 I123 R127 L128 F131 L139	I100-L115 HydrophobicContact CB-CD1 4.47Å; I100-L115 HydrophobicContact CG1-CD1 4.12Å; I100-L115 HydrophobicContact CG2-CD1 4.2Å; I100-I120 HydrophobicContact CG1-CD1 4.31Å; I100-I120 HydrophobicContact CG1-CG2 4.47Å; I100-I123 HydrophobicContact CD1-CG2 4Å; I100-R127 HydrophobicContact CB-CB 4.04Å; I100-R127 HydrophobicContact CG2-CB 4.28Å; I100-L128 HydrophobicContact CD1-CD1 4.28Å; I100-L128 HydrophobicContact CD1-CD2 3.94Å; I100-L128 HydrophobicContact CD1-CG 3.89Å; I100-L128 HydrophobicContact CG2-CD2 4.35Å; I100-F131 HydrophobicContact CG2-CE2 4.34Å; I100-L139 HydrophobicContact CD1-CD1 4.39Å; I100-L139 HydrophobicContact CD1-CD2 4.37Å; I100-L139 HydrophobicContact CG1-CD2 4.22Å
101	P	92.1	Very high	93.4	Very high	10 Å²	10	36.7 Å²	36.7	7%	0.065	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-76.6	148.1	-172.6	31.6	-36.2	0	0	0	112.8	L76 L92 L103 L115	L76-P101 HydrophobicContact CB-CB 4.11Å; L76-P101 HydrophobicContact CD1-CB 3.98Å; L76-P101 HydrophobicContact CD2-CB 4.36Å; L76-P101 HydrophobicContact CG-CB 4.36Å; L92-P101 HydrophobicContact CD1-CG 3.96Å; P101-L103 HydrophobicContact CB-CD2 4.14Å; P101-L103 HydrophobicContact CG-CD2 4.21Å; P101-L115 HydrophobicContact CG-CD2 4.32Å
102	D	90.2	Very high	93.5	Very high	86 Å²	86	36.1 Å²	36.1	46%	0.46	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-83	131.4	163.2	-175.8	-2.9	0	0	0	109.2	G104	D102-G104 PolarHBondContact OD1-N 3.02Å
103	L	89.6	Confident	93.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.21	C	C	.	.			trans	-123.4	11.2	-178.1	-51.6	174.5	0	0	0	111.6	L76 F81 L90 P101 A107 I110 F131	L76-L103 HydrophobicContact CD2-CD2 4.01Å; F81-L103 HydrophobicContact CB-CB 4.03Å; F81-L103 VanDerWaalsContact CB-O 3.31Å; F81-L103 WeakPolarHBondContact CB-O 3.38Å; F81-L103 HydrophobicContact CD1-CD2 3.98Å; F81-L103 HydrophobicContact CD2-CD2 3.74Å; F81-L103 HydrophobicContact CE1-CD2 4.08Å; F81-L103 HydrophobicContact CE2-CD2 3.88Å; F81-L103 HydrophobicContact CG-CB 4.14Å; F81-L103 HydrophobicContact CG-CD2 3.82Å; F81-L103 HydrophobicContact CZ-CD2 4.06Å; L90-L103 HydrophobicContact CD2-CD1 3.46Å; L90-L103 VanDerWaalsContact CD2-CD1 3.46Å; L90-L103 HydrophobicContact CD2-CD2 4.08Å; L90-L103 HydrophobicContact CD2-CG 4.45Å; P101-L103 HydrophobicContact CB-CD2 4.14Å; P101-L103 HydrophobicContact CG-CD2 4.21Å; L103-A107 HydrophobicContact CB-CB 4.28Å; L103-I110 HydrophobicContact CD1-CD1 3.44Å; L103-I110 VanDerWaalsContact CD1-CD1 3.44Å; L103-F131 HydrophobicContact CD1-CE1 3.62Å; L103-F131 HydrophobicContact CD1-CZ 3.63Å; L103-F131 HydrophobicContact CG-CZ 4.11Å
104	G	87.2	Confident	93.7	Very high	25 Å²	25	36.3 Å²	36.3	26%	0.258	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	58.5	-147.4	-176.8	0	0	0	0	0	112.9	D102 S106 A107	D102-G104 PolarHBondContact OD1-N 3.02Å; G104-S106 VanDerWaalsContact C-N 3.27Å; G104-S106 PolarHBondContact O-N 2.83Å; G104-A107 WeakPolarHBondContact O-CB 3.38Å; G104-A107 PolarHBondContact O-N 2.81Å
105	P	85.1	Confident	93.7	Very high	95 Å²	95	32.8 Å²	32.8	62%	0.617	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-55.5	-36.1	-174.9	-28.3	36.1	0	0	0	114.8	A107 S108	P105-A107 PolarHBondContact O-N 2.75Å; P105-S108 WeakPolarHBondContact O-CB 3.43Å; P105-S108 PolarHBondContact O-N 2.9Å; P105-S108 PolarHBondContact O-OG 3.08Å
106	S	87.9	Confident	93.8	Very high	6 Å²	6	32.4 Å²	32.4	4%	0.042	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-70.9	-9.4	-176.5	-66.2	0	0	0	0	114.8	F81 L84 G104 S108 N109	F81-S106 WeakPolarHBondContact O-CB 3.37Å; F81-S106 PolarHBondContact O-OG 2.03Å; L84-S106 WeakPolarHBondContact O-CB 3.47Å; L84-S106 PolarHBondContact O-OG 2.7Å; G104-S106 VanDerWaalsContact C-N 3.27Å; G104-S106 PolarHBondContact O-N 2.83Å; S106-S108 PolarHBondContact O-N 3.35Å; S106-N109 PolarHBondContact O-N 3.38Å
107	A	91.4	Very high	93.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-54.1	-36.8	167.4	0	0	0	0	0	111.7	L103 G104 P105 N109 I110 P130 F131	L103-A107 HydrophobicContact CB-CB 4.28Å; G104-A107 WeakPolarHBondContact O-CB 3.38Å; G104-A107 PolarHBondContact O-N 2.81Å; P105-A107 PolarHBondContact O-N 2.75Å; A107-N109 PolarHBondContact O-N 3.27Å; A107-I110 PolarHBondContact O-N 3.39Å; A107-P130 CarbonylContact C-O 3.59Å; A107-P130 HydrophobicContact CB-CB 3.67Å; A107-F131 HydrophobicContact CB-CD1 4.02Å; A107-F131 HydrophobicContact CB-CD2 4.21Å; A107-F131 HydrophobicContact CB-CE1 3.99Å; A107-F131 HydrophobicContact CB-CE2 4.17Å; A107-F131 HydrophobicContact CB-CG 4.15Å; A107-F131 HydrophobicContact CB-CZ 4.07Å; A107-F131 WeakPolarHBondContact O-CA 3.39Å
108	S	92.9	Very high	94	Very high	47 Å²	47	31.9 Å²	31.9	33%	0.329	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-62.9	-25.2	-175.9	61.5	0	0	0	0	114.6	P105 S106 P130 S133	P105-S108 WeakPolarHBondContact O-CB 3.43Å; P105-S108 PolarHBondContact O-N 2.9Å; P105-S108 PolarHBondContact O-OG 3.08Å; S106-S108 PolarHBondContact O-N 3.35Å; S108-P130 WeakPolarHBondContact CA-O 3.47Å; S108-P130 PolarHBondContact N-O 3.43Å; S108-P130 VanDerWaalsContact N-O 3.11Å; S108-S133 WeakPolarHBondContact O-CB 3.16Å; S108-S133 PolarHBondContact O-N 2.82Å; S108-S133 PolarHBondContact O-OG 2.96Å
109	N	93.5	Very high	94.1	Very high	70 Å²	70	31.8 Å²	31.8	37%	0.374	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-95.9	-7.8	-177.9	-69.3	-10.5	0	0	0	113.6	P85 L87 S106 A107 T111	P85-N109 PolarHBondContact O-ND2 3.26Å; L87-N109 CarbonylContact O-C 3.45Å; S106-N109 PolarHBondContact O-N 3.38Å; A107-N109 PolarHBondContact O-N 3.27Å; N109-T111 PolarHBondContact O-N 3.06Å
110	I	96.4	Very high	94.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.168	C	C	.	.			trans	-77.2	118.3	-177.7	-68.8	171.4	0	0	0	110.2	L87 K88 L90 L103 A107 T112 L113 F131 S133 L134	L87-I110 HydrophobicContact CD2-CD1 4.15Å; L87-I110 HydrophobicContact CD2-CG1 4.49Å; L87-I110 HydrophobicContact CG-CD1 4.5Å; L87-I110 HydrophobicContact CG-CG1 4.32Å; K88-I110 CarbonylContact O-C 3.58Å; K88-I110 WeakPolarHBondContact O-CA 3.49Å; L90-I110 HydrophobicContact CB-CD1 4.31Å; L90-I110 HydrophobicContact CD2-CD1 4.17Å; L103-I110 HydrophobicContact CD1-CD1 3.44Å; L103-I110 VanDerWaalsContact CD1-CD1 3.44Å; A107-I110 PolarHBondContact O-N 3.39Å; I110-T112 WeakPolarHBondContact CG2-O 3.48Å; I110-L113 HydrophobicContact CG2-CB 4.22Å; I110-F131 HydrophobicContact CB-CD1 4.25Å; I110-F131 HydrophobicContact CD1-CE1 4.12Å; I110-F131 HydrophobicContact CG2-CD1 4.4Å; I110-S133 CarbonylContact O-C 3.5Å; I110-L134 HydrophobicContact CG2-CD1 4.11Å; I110-L134 VanDerWaalsContact O-CA 3.31Å; I110-L134 WeakPolarHBondContact O-CA 3.07Å; I110-L134 PolarHBondContact O-N 2.9Å
111	T	97.9	Very high	94.2	Very high	42 Å²	42	32.7 Å²	32.7	26%	0.258	19%	0.193	S	C	.	.	S	Bend	trans	-91.6	-25	175	61.4	0	0	0	0	112.5	K88 N109 S133 E135 T136	K88-T111 PolarHBondContact O-N 3.15Å; K88-T111 PolarHBondContact O-OG1 2.88Å; N109-T111 PolarHBondContact O-N 3.06Å; T111-S133 WeakPolarHBondContact CA-O 3.13Å; T111-E135 PolarHBondContact O-N 3.27Å; T111-T136 PolarHBondContact O-N 2.91Å
112	T	98.4	Very high	94.3	Very high	28 Å²	28	33.8 Å²	33.8	17%	0.172	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	116.7	-173.6	-56.1	0	0	0	0	111.1	K88 E89 L90 I110 I114 T136	K88-T112 PolarHBondContact O-N 2.84Å; E89-T112 WeakPolarHBondContact CA-O 3.38Å; E89-T112 HydrophobicContact CG-CG2 3.93Å; L90-T112 PolarHBondContact N-O 3.38Å; I110-T112 WeakPolarHBondContact CG2-O 3.48Å; T112-I114 HydrophobicContact CG2-CD1 3.9Å; T112-I114 HydrophobicContact CG2-CG1 4.17Å; T112-T136 WeakPolarHBondContact CA-O 3.25Å; T112-T136 HydrophobicContact CG2-CG2 4.26Å
113	L	98.1	Very high	94.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	113	-179.4	-176.6	61.7	0	0	0	111.3	L90 I110 L115 F131 L134 T136 L137 D138	L90-L113 HydrophobicContact CB-CD1 4.09Å; L90-L113 HydrophobicContact CD2-CD1 4.05Å; L90-L113 HydrophobicContact CG-CD1 4.19Å; I110-L113 HydrophobicContact CG2-CB 4.22Å; L113-L115 HydrophobicContact CD1-CD1 4.48Å; L113-L115 HydrophobicContact CD1-CG 4.28Å; L113-L115 HydrophobicContact CD2-CD1 3.76Å; L113-L115 HydrophobicContact CD2-CG 4.4Å; L113-L115 HydrophobicContact CG-CD1 3.91Å; L113-L115 HydrophobicContact CG-CG 4.01Å; L113-F131 HydrophobicContact CD2-CD1 4.16Å; L113-F131 HydrophobicContact CD2-CE1 3.65Å; L113-F131 HydrophobicContact CD2-CZ 3.88Å; L113-L134 HydrophobicContact CB-CD1 3.67Å; L113-T136 PolarHBondContact N-O 3.47Å; L113-L137 HydrophobicContact CB-CD1 4.26Å; L113-L137 HydrophobicContact CD2-CD1 4.11Å; L113-L137 HydrophobicContact CG-CD1 4.27Å; L113-D138 PolarHBondContact O-N 3.03Å
114	I	98.4	Very high	94.6	Very high	32 Å²	32	32.6 Å²	32.6	16%	0.164	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	100.2	-175.9	-48.6	-58.8	0	0	0	110.1	L90 K91 L92 N93 T112 T136 D138	L90-I114 PolarHBondContact O-N 3.1Å; K91-I114 HydrophobicContact CG-CB 4.43Å; K91-I114 HydrophobicContact CG-CG1 4.32Å; L92-I114 CarbonylContact C-O 3.16Å; L92-I114 WeakPolarHBondContact CA-O 3.28Å; L92-I114 PolarHBondContact N-O 2.92Å; N93-I114 HydrophobicContact CB-CG2 4.12Å; N93-I114 PolarHBondContact N-O 2.85Å; T112-I114 HydrophobicContact CG2-CD1 3.9Å; T112-I114 HydrophobicContact CG2-CG1 4.17Å; I114-T136 HydrophobicContact CD1-CG2 4.47Å; I114-D138 HydrophobicContact CD1-CB 3.92Å; I114-D138 HydrophobicContact CG2-CB 4.23Å
115	L	98	Very high	94.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.214	C	C	.	.			trans	-108.4	11.6	-176.5	-73.7	166.6	0	0	0	113.4	L92 L97 I100 P101 L113 N118 I120 L137 D138 L139 N142	L92-L115 HydrophobicContact CB-CD2 3.81Å; L92-L115 HydrophobicContact CD1-CD2 4.03Å; L97-L115 HydrophobicContact CD1-CD2 3.7Å; I100-L115 HydrophobicContact CB-CD1 4.47Å; I100-L115 HydrophobicContact CG1-CD1 4.12Å; I100-L115 HydrophobicContact CG2-CD1 4.2Å; P101-L115 HydrophobicContact CG-CD2 4.32Å; L113-L115 HydrophobicContact CD1-CD1 4.48Å; L113-L115 HydrophobicContact CD1-CG 4.28Å; L113-L115 HydrophobicContact CD2-CD1 3.76Å; L113-L115 HydrophobicContact CD2-CG 4.4Å; L113-L115 HydrophobicContact CG-CD1 3.91Å; L113-L115 HydrophobicContact CG-CG 4.01Å; L115-N118 WeakPolarHBondContact O-CB 3.27Å; L115-N118 PolarHBondContact O-ND2 3.03Å; L115-I120 HydrophobicContact CB-CD1 4.03Å; L115-I120 HydrophobicContact CD1-CD1 4.14Å; L115-I120 HydrophobicContact CD2-CD1 4.37Å; L115-I120 HydrophobicContact CG-CD1 4.43Å; L115-L137 HydrophobicContact CD1-CD1 4.4Å; L115-D138 CarbonylContact C-O 3.56Å; L115-D138 VanDerWaalsContact CA-O 3.3Å; L115-D138 WeakPolarHBondContact CA-O 3.34Å; L115-D138 WeakPolarHBondContact CB-O 3.2Å; L115-D138 PolarHBondContact N-O 3.3Å; L115-L139 HydrophobicContact CB-CD2 3.94Å; L115-L139 HydrophobicContact CD1-CD2 3.93Å; L115-N142 PolarHBondContact O-ND2 2.88Å; L115-N142 VanDerWaalsContact O-ND2 3.16Å
116	A	97.9	Very high	95	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.033	21%	0.214	C	C	.	.			trans	-63.1	155.5	-175.4	0	0	0	0	0	115.1	N93 H94 N118 D138 S140	N93-A116 CarbonylContact C-O 3.56Å; N93-A116 WeakPolarHBondContact CA-O 3.45Å; N93-A116 HydrophobicContact CB-CB 4.38Å; N93-A116 WeakPolarHBondContact CB-O 3.43Å; H94-A116 PolarHBondContact N-O 2.93Å; A116-N118 PolarHBondContact O-ND2 3.42Å; A116-D138 WeakPolarHBondContact CB-OD2 3.31Å; A116-D138 PolarHBondContact N-O 3.16Å; A116-S140 CarbonylContact C-O 3.15Å; A116-S140 WeakPolarHBondContact CA-O 3.22Å; A116-S140 VanDerWaalsContact CB-O 3.23Å; A116-S140 WeakPolarHBondContact CB-O 3.33Å
117	N	98	Very high	95.1	Very high	56 Å²	56	42.2 Å²	42.2	30%	0.299	23%	0.228	S	C	.	.	S	Bend	trans	57.8	51.4	-179	-62	-88.2	0	0	0	111.9	H94 N95 S140 N141	H94-N117 WeakPolarHBondContact CA-O 3.01Å; H94-N117 HydrophobicContact CB-CB 4.46Å; H94-N117 WeakPolarHBondContact CD2-CB 3.39Å; H94-N117 PolarHBondContact N-O 3.49Å; N95-N117 PolarHBondContact N-O 2.97Å; N117-S140 PolarHBondContact N-O 2.72Å; N117-N141 VanDerWaalsContact CA-O 3.27Å; N117-N141 WeakPolarHBondContact CA-O 3.41Å; N117-N141 HydrophobicContact CB-CB 4.3Å; N117-N141 PolarHBondContact N-O 2.71Å; N117-N141 PolarHBondContact ND2-ND2 3.43Å; N117-N141 VanDerWaalsContact OD1-CB 3.25Å; N117-N141 WeakPolarHBondContact OD1-CB 3.42Å
118	N	97.5	Very high	95.3	Very high	14 Å²	14	42.2 Å²	42.2	8%	0.075	23%	0.228	C	C	.	.	S	Bend	trans	-120.5	-150	174.6	-89.1	-71.3	0	0	0	109.4	L92 N95 K96 L97 L115 A116 I120 N141 N142	L92-N118 PolarHBondContact O-ND2 3.36Å; N95-N118 VanDerWaalsContact CA-OD1 3.27Å; N95-N118 WeakPolarHBondContact CA-OD1 3.44Å; N95-N118 WeakPolarHBondContact CB-OD1 3.38Å; N95-N118 PolarHBondContact N-OD1 2.83Å; N95-N118 PolarHBondContact O-OD1 2.87Å; K96-N118 PolarHBondContact N-OD1 2.96Å; L97-N118 HydrophobicContact CB-CB 4.29Å; L97-N118 WeakPolarHBondContact CB-OD1 3.4Å; L97-N118 WeakPolarHBondContact CG-OD1 3.47Å; L97-N118 PolarHBondContact N-OD1 3.15Å; L115-N118 WeakPolarHBondContact O-CB 3.27Å; L115-N118 PolarHBondContact O-ND2 3.03Å; A116-N118 PolarHBondContact O-ND2 3.42Å; N118-I120 HydrophobicContact CB-CG1 4.28Å; N118-N141 PolarHBondContact N-O 3.11Å; N118-N142 VanDerWaalsContact CA-OD1 3.26Å; N118-N142 WeakPolarHBondContact CA-OD1 3.46Å; N118-N142 WeakPolarHBondContact CB-OD1 3.34Å; N118-N142 PolarHBondContact N-OD1 3.46Å
119	R	97.2	Very high	95.3	Very high	94 Å²	94	41.8 Å²	41.8	36%	0.355	23%	0.231	S	C	.	.			trans	-128	12.2	-177.6	-63.2	-179.7	167.5	-159.9	-5.2	112.9	L97 E98 S121 N142 K143	L97-R119 CarbonylContact O-C 3.59Å; L97-R119 VanDerWaalsContact O-CA 3.32Å; L97-R119 WeakPolarHBondContact O-CA 3.49Å; L97-R119 WeakPolarHBondContact O-CB 3.44Å; L97-R119 PolarHBondContact O-N 3.04Å; E98-R119 HydrophobicContact CG-CB 3.99Å; E98-R119 WeakPolarHBondContact OE1-CD 3.4Å; E98-R119 IonicContact OE1-CZ 3.68Å; E98-R119 IonicContact OE1-NE 3.92Å; E98-R119 IonicContact OE1-NH1 2.72Å; E98-R119 PolarHBondContact OE1-NH1 2.78Å; R119-S121 PolarHBondContact O-N 3.42Å; R119-N142 PolarHBondContact N-OD1 2.72Å; R119-N142 VanDerWaalsContact N-OD1 3.1Å; R119-K143 HydrophobicContact CB-CD 4.45Å; R119-K143 WeakPolarHBondContact O-CD 3.31Å
120	I	96.7	Very high	95.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.232	C	C	.	.			trans	-58.9	126.5	-172	-58.6	175.2	0	0	0	109.6	L97 E98 I100 L115 N118 G122 L139 N142 K143 I144	L97-I120 PolarHBondContact O-N 3.49Å; E98-I120 WeakPolarHBondContact O-CA 3.46Å; I100-I120 HydrophobicContact CG1-CD1 4.31Å; I100-I120 HydrophobicContact CG1-CG2 4.47Å; L115-I120 HydrophobicContact CB-CD1 4.03Å; L115-I120 HydrophobicContact CD1-CD1 4.14Å; L115-I120 HydrophobicContact CD2-CD1 4.37Å; L115-I120 HydrophobicContact CG-CD1 4.43Å; N118-I120 HydrophobicContact CB-CG1 4.28Å; I120-G122 WeakPolarHBondContact CG2-O 3.39Å; I120-L139 HydrophobicContact CD1-CD2 3.77Å; I120-N142 HydrophobicContact CB-CB 4.27Å; I120-N142 WeakPolarHBondContact CB-OD1 3.39Å; I120-N142 PolarHBondContact N-OD1 3.45Å; I120-K143 CarbonylContact O-C 3.56Å; I120-K143 WeakPolarHBondContact O-CA 3.17Å; I120-K143 WeakPolarHBondContact O-CB 3.37Å; I120-K143 PolarHBondContact O-N 3.31Å; I120-I144 HydrophobicContact CG2-CG1 4.48Å; I120-I144 PolarHBondContact O-N 3.01Å
121	S	94.9	Very high	95.3	Very high	78 Å²	78	41.3 Å²	41.3	55%	0.545	23%	0.232	S	C	.	.			trans	-101.1	-17.1	-173.7	53.3	0	0	0	0	114.6	R119 I144	R119-S121 PolarHBondContact O-N 3.42Å; S121-I144 WeakPolarHBondContact O-CA 3.31Å
122	G	92.2	Very high	95.1	Very high	33 Å²	33	42.2 Å²	42.2	34%	0.34	24%	0.244	S	C	.	.			trans	-161.3	171.9	-178.4	0	0	0	0	0	112.9	I120	I120-G122 WeakPolarHBondContact CG2-O 3.39Å
123	I	95.2	Very high	95	Very high	14 Å²	14	43.2 Å²	43.2	7%	0.072	25%	0.252	C	S	.	.			trans	-129.5	130.4	-178.7	-42.5	176.9	0	0	0	107.7	I100 L128 L139 I144 I147 S151 F152 L162	I100-I123 HydrophobicContact CD1-CG2 4Å; I123-L128 HydrophobicContact CG2-CD1 3.45Å; I123-L128 VanDerWaalsContact CG2-CD1 3.45Å; I123-L128 HydrophobicContact CG2-CG 4.33Å; I123-L139 HydrophobicContact CD1-CD1 3.81Å; I123-L139 HydrophobicContact CG1-CD1 4.17Å; I123-I144 HydrophobicContact CD1-CD1 4.12Å; I123-I144 HydrophobicContact CG1-CD1 4.02Å; I123-I144 HydrophobicContact CG1-CG2 4.39Å; I123-I147 HydrophobicContact CD1-CD1 4.47Å; I123-S151 VanDerWaalsContact CG2-O 3.27Å; I123-S151 WeakPolarHBondContact CG2-O 3.18Å; I123-S151 PolarHBondContact O-OG 3.34Å; I123-F152 HydrophobicContact CD1-CE1 4.25Å; I123-F152 HydrophobicContact CD1-CE2 4.19Å; I123-F152 HydrophobicContact CD1-CZ 3.59Å; I123-F152 HydrophobicContact CG2-CD1 4.48Å; I123-F152 HydrophobicContact CG2-CE1 4.09Å; I123-F152 HydrophobicContact CG2-CZ 4.33Å; I123-L162 HydrophobicContact CD1-CD2 3.93Å
124	S	91.1	Very high	95	Very high	47 Å²	47	43.2 Å²	43.2	33%	0.329	25%	0.252	S	S	.	.			trans	-135.6	146.6	178	61.1	0	0	0	0	112.1	E126 R127 L128	S124-E126 VanDerWaalsContact C-N 3.28Å; S124-E126 PolarHBondContact O-N 3Å; S124-R127 PolarHBondContact O-N 2.84Å; S124-L128 PolarHBondContact O-N 2.91Å
125	E	90.3	Very high	95	Very high	103 Å²	103	45.1 Å²	45.1	48%	0.481	26%	0.26	S	S	.	.	H	α-helix	trans	-51.2	-43.1	173.1	176.1	167	-148.5	0	0	113	R127 L128 G129 S150 P153	E125-R127 PolarHBondContact O-N 2.89Å; E125-R127 VanDerWaalsContact O-N 3.1Å; E125-L128 PolarHBondContact O-N 2.82Å; E125-L128 VanDerWaalsContact O-N 3.12Å; E125-G129 PolarHBondContact O-N 2.79Å; E125-S150 PolarHBondContact N-O 2.89Å; E125-P153 HydrophobicContact CG-CB 4.08Å; E125-P153 HydrophobicContact CG-CG 4.17Å
126	E	90.6	Very high	95	Very high	136 Å²	136	46.2 Å²	46.2	64%	0.636	27%	0.267	S	S	*	.	H	α-helix	trans	-49.5	-38.5	175.6	-173.8	-153.1	146.8	0	0	113.1	S124	S124-E126 VanDerWaalsContact C-N 3.28Å; S124-E126 PolarHBondContact O-N 3Å
127	R	91.6	Very high	95.1	Very high	89 Å²	89	46 Å²	46	34%	0.336	27%	0.265	S	S	.	.	H	α-helix	trans	-93	-16.9	-175.5	-62.6	-71	161	179.6	-12.1	113.8	I100 S124 E125 F131	I100-R127 HydrophobicContact CB-CB 4.04Å; I100-R127 HydrophobicContact CG2-CB 4.28Å; S124-R127 PolarHBondContact O-N 2.84Å; E125-R127 PolarHBondContact O-N 2.89Å; E125-R127 VanDerWaalsContact O-N 3.1Å; R127-F131 WeakPolarHBondContact O-CE2 3.25Å
128	L	95.1	Very high	95.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-106	-25.3	-179.3	-82.7	-177.2	0	0	0	113.7	I100 I123 S124 E125 P130 F131 L134 L137 F152 P153 L155	I100-L128 HydrophobicContact CD1-CD1 4.28Å; I100-L128 HydrophobicContact CD1-CD2 3.94Å; I100-L128 HydrophobicContact CD1-CG 3.89Å; I100-L128 HydrophobicContact CG2-CD2 4.35Å; I123-L128 HydrophobicContact CG2-CD1 3.45Å; I123-L128 VanDerWaalsContact CG2-CD1 3.45Å; I123-L128 HydrophobicContact CG2-CG 4.33Å; S124-L128 PolarHBondContact O-N 2.91Å; E125-L128 PolarHBondContact O-N 2.82Å; E125-L128 VanDerWaalsContact O-N 3.12Å; L128-P130 VanDerWaalsContact C-CD 3.43Å; L128-P130 VanDerWaalsContact C-N 3.33Å; L128-F131 WeakPolarHBondContact O-CB 3.42Å; L128-F131 PolarHBondContact O-N 2.81Å; L128-L134 HydrophobicContact CD2-CD2 4.42Å; L128-L137 HydrophobicContact CD1-CD2 4.21Å; L128-L137 HydrophobicContact CD2-CD2 3.97Å; L128-F152 HydrophobicContact CD1-CD1 3.6Å; L128-F152 HydrophobicContact CD1-CE1 3.82Å; L128-P153 HydrophobicContact CB-CG 3.79Å; L128-L155 HydrophobicContact CB-CD1 4.19Å
129	G	93.2	Very high	95.1	Very high	38 Å²	38	44.1 Å²	44.1	39%	0.392	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.6	179.6	0	0	0	0	0	115.4	E125 F131	E125-G129 PolarHBondContact O-N 2.79Å; G129-F131 PolarHBondContact O-N 3.47Å
130	P	94.4	Very high	95.2	Very high	58 Å²	58	40.1 Å²	40.1	38%	0.377	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.3	175.3	-26.5	36.9	0	0	0	115.1	A107 S108 L128 A132	A107-P130 CarbonylContact C-O 3.59Å; A107-P130 HydrophobicContact CB-CB 3.67Å; S108-P130 WeakPolarHBondContact CA-O 3.47Å; S108-P130 PolarHBondContact N-O 3.43Å; S108-P130 VanDerWaalsContact N-O 3.11Å; L128-P130 VanDerWaalsContact C-CD 3.43Å; L128-P130 VanDerWaalsContact C-N 3.33Å; P130-A132 VanDerWaalsContact C-N 3.29Å; P130-A132 PolarHBondContact O-N 2.81Å; P130-A132 VanDerWaalsContact O-N 3.09Å
131	F	95.4	Very high	95.3	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	26%	0.256	C	S	.	.			trans	-88.7	50.8	-171.5	-69.8	-91.9	0	0	0	113.3	I100 L103 A107 I110 L113 R127 L128 G129 S133 L134 L155	I100-F131 HydrophobicContact CG2-CE2 4.34Å; L103-F131 HydrophobicContact CD1-CE1 3.62Å; L103-F131 HydrophobicContact CD1-CZ 3.63Å; L103-F131 HydrophobicContact CG-CZ 4.11Å; A107-F131 HydrophobicContact CB-CD1 4.02Å; A107-F131 HydrophobicContact CB-CD2 4.21Å; A107-F131 HydrophobicContact CB-CE1 3.99Å; A107-F131 HydrophobicContact CB-CE2 4.17Å; A107-F131 HydrophobicContact CB-CG 4.15Å; A107-F131 HydrophobicContact CB-CZ 4.07Å; A107-F131 WeakPolarHBondContact O-CA 3.39Å; I110-F131 HydrophobicContact CB-CD1 4.25Å; I110-F131 HydrophobicContact CD1-CE1 4.12Å; I110-F131 HydrophobicContact CG2-CD1 4.4Å; L113-F131 HydrophobicContact CD2-CD1 4.16Å; L113-F131 HydrophobicContact CD2-CE1 3.65Å; L113-F131 HydrophobicContact CD2-CZ 3.88Å; R127-F131 WeakPolarHBondContact O-CE2 3.25Å; L128-F131 WeakPolarHBondContact O-CB 3.42Å; L128-F131 PolarHBondContact O-N 2.81Å; G129-F131 PolarHBondContact O-N 3.47Å; F131-S133 PolarHBondContact O-N 2.91Å; F131-L134 HydrophobicContact CB-CB 3.98Å; F131-L134 HydrophobicContact CB-CD2 4.04Å; F131-L134 WeakPolarHBondContact O-CB 3.42Å; F131-L134 PolarHBondContact O-N 3.04Å; F131-L155 WeakPolarHBondContact O-CD2 3.38Å
132	A	94.1	Very high	95.4	Very high	61 Å²	61	39.7 Å²	39.7	50%	0.504	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.4	-168.5	0	0	0	0	0	116.1	P130 P156	P130-A132 VanDerWaalsContact C-N 3.29Å; P130-A132 PolarHBondContact O-N 2.81Å; P130-A132 VanDerWaalsContact O-N 3.09Å; A132-P156 VanDerWaalsContact O-CD 3.24Å; A132-P156 WeakPolarHBondContact O-CD 3.17Å; A132-P156 WeakPolarHBondContact O-CG 3.37Å
133	S	96.3	Very high	95.7	Very high	49 Å²	49	41.8 Å²	41.8	34%	0.343	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	8	179.3	-55.6	0	0	0	0	114.7	S108 I110 T111 F131 E135	S108-S133 WeakPolarHBondContact O-CB 3.16Å; S108-S133 PolarHBondContact O-N 2.82Å; S108-S133 PolarHBondContact O-OG 2.96Å; I110-S133 CarbonylContact O-C 3.5Å; T111-S133 WeakPolarHBondContact CA-O 3.13Å; F131-S133 PolarHBondContact O-N 2.91Å; S133-E135 PolarHBondContact O-N 3.03Å
134	L	97.8	Very high	95.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.			trans	-73.4	110.7	-166.8	-171.2	69.7	0	0	0	113.3	I110 L113 L128 F131 T136 L137 P156 L157	I110-L134 HydrophobicContact CG2-CD1 4.11Å; I110-L134 VanDerWaalsContact O-CA 3.31Å; I110-L134 WeakPolarHBondContact O-CA 3.07Å; I110-L134 PolarHBondContact O-N 2.9Å; L113-L134 HydrophobicContact CB-CD1 3.67Å; L128-L134 HydrophobicContact CD2-CD2 4.42Å; F131-L134 HydrophobicContact CB-CB 3.98Å; F131-L134 HydrophobicContact CB-CD2 4.04Å; F131-L134 WeakPolarHBondContact O-CB 3.42Å; F131-L134 PolarHBondContact O-N 3.04Å; L134-T136 WeakPolarHBondContact CD1-O 3.48Å; L134-L137 HydrophobicContact CD2-CB 4.12Å; L134-L137 HydrophobicContact CD2-CD1 4.41Å; L134-L137 HydrophobicContact CD2-CD2 4.32Å; L134-P156 CarbonylContact O-C 3.55Å; L134-L157 HydrophobicContact CD2-CD2 4.07Å; L134-L157 HydrophobicContact CG-CD2 3.87Å; L134-L157 WeakPolarHBondContact O-CA 3.26Å; L134-L157 WeakPolarHBondContact O-CD2 3.44Å; L134-L157 PolarHBondContact O-N 3.06Å
135	E	98.1	Very high	96.1	Very high	72 Å²	72	42.2 Å²	42.2	34%	0.336	23%	0.234	S	C	.	.			trans	-95.7	-27.1	177.9	-53.3	-160.5	153.4	0	0	113.2	T111 S133 K158 N159	T111-E135 PolarHBondContact O-N 3.27Å; S133-E135 PolarHBondContact O-N 3.03Å; E135-K158 HydrophobicContact CB-CD 4.35Å; E135-K158 HydrophobicContact CB-CG 4.48Å; E135-K158 VanDerWaalsContact CD-CE 3.44Å; E135-K158 PolarHBondContact O-N 2.87Å; E135-K158 WeakPolarHBondContact OE1-CE 3.45Å; E135-K158 IonicContact OE1-NZ 2.74Å; E135-K158 PolarHBondContact OE1-NZ 2.84Å; E135-K158 WeakPolarHBondContact OE2-CE 3.35Å; E135-K158 IonicContact OE2-NZ 2.72Å; E135-K158 PolarHBondContact OE2-NZ 2.77Å; E135-N159 PolarHBondContact O-N 2.75Å
136	T	98.6	Very high	96.3	Very high	23 Å²	23	41.5 Å²	41.5	14%	0.141	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	121.8	-176.3	-64.3	0	0	0	0	111.8	T111 T112 L113 I114 L134 N159 F161	T111-T136 PolarHBondContact O-N 2.91Å; T112-T136 WeakPolarHBondContact CA-O 3.25Å; T112-T136 HydrophobicContact CG2-CG2 4.26Å; L113-T136 PolarHBondContact N-O 3.47Å; I114-T136 HydrophobicContact CD1-CG2 4.47Å; L134-T136 WeakPolarHBondContact CD1-O 3.48Å; T136-N159 WeakPolarHBondContact CA-O 3.32Å; T136-N159 HydrophobicContact CG2-CB 4.11Å; T136-N159 PolarHBondContact OG1-ND2 2.8Å; T136-F161 HydrophobicContact CG2-CE2 4.17Å
137	L	98.5	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.6	177.9	177.9	57.5	0	0	0	110.9	L113 L115 L128 L134 L139 F152 L157 N159 L160 F161	L113-L137 HydrophobicContact CB-CD1 4.26Å; L113-L137 HydrophobicContact CD2-CD1 4.11Å; L113-L137 HydrophobicContact CG-CD1 4.27Å; L115-L137 HydrophobicContact CD1-CD1 4.4Å; L128-L137 HydrophobicContact CD1-CD2 4.21Å; L128-L137 HydrophobicContact CD2-CD2 3.97Å; L134-L137 HydrophobicContact CD2-CB 4.12Å; L134-L137 HydrophobicContact CD2-CD1 4.41Å; L134-L137 HydrophobicContact CD2-CD2 4.32Å; L137-L139 HydrophobicContact CD1-CD1 4.35Å; L137-L139 HydrophobicContact CD1-CG 4.04Å; L137-L139 HydrophobicContact CD2-CD1 3.9Å; L137-L139 HydrophobicContact CD2-CG 4.45Å; L137-L139 HydrophobicContact CG-CD1 4.07Å; L137-L139 HydrophobicContact CG-CG 4.09Å; L137-F152 HydrophobicContact CD2-CE1 4.27Å; L137-L157 HydrophobicContact CB-CD2 3.69Å; L137-L157 HydrophobicContact CD2-CD1 4.45Å; L137-N159 PolarHBondContact N-O 3.19Å; L137-L160 HydrophobicContact CB-CD1 4.23Å; L137-L160 HydrophobicContact CD2-CD1 4.08Å; L137-L160 HydrophobicContact CG-CD1 4.19Å; L137-F161 PolarHBondContact O-N 2.7Å
138	D	98.6	Very high	96.6	Very high	30 Å²	30	34.9 Å²	34.9	16%	0.16	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.3	173.6	179.8	16.9	0	0	0	111.6	L113 I114 L115 A116 S140 F161	L113-D138 PolarHBondContact O-N 3.03Å; I114-D138 HydrophobicContact CD1-CB 3.92Å; I114-D138 HydrophobicContact CG2-CB 4.23Å; L115-D138 CarbonylContact C-O 3.56Å; L115-D138 VanDerWaalsContact CA-O 3.3Å; L115-D138 WeakPolarHBondContact CA-O 3.34Å; L115-D138 WeakPolarHBondContact CB-O 3.2Å; L115-D138 PolarHBondContact N-O 3.3Å; A116-D138 WeakPolarHBondContact CB-OD2 3.31Å; A116-D138 PolarHBondContact N-O 3.16Å; D138-S140 WeakPolarHBondContact OD1-CB 3.42Å; D138-S140 PolarHBondContact OD1-N 3.49Å; D138-S140 PolarHBondContact OD1-OG 3Å; D138-F161 HydrophobicContact CB-CB 4.2Å; D138-F161 HydrophobicContact CB-CD2 4.1Å; D138-F161 WeakPolarHBondContact OD1-CB 3.32Å
139	L	98.4	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.218	C	C	.	.			trans	-110.4	17.1	176.4	-73.5	167.7	0	0	0	111.9	I100 L115 I120 I123 L137 N142 I144 F161 L162 N165	I100-L139 HydrophobicContact CD1-CD1 4.39Å; I100-L139 HydrophobicContact CD1-CD2 4.37Å; I100-L139 HydrophobicContact CG1-CD2 4.22Å; L115-L139 HydrophobicContact CB-CD2 3.94Å; L115-L139 HydrophobicContact CD1-CD2 3.93Å; I120-L139 HydrophobicContact CD1-CD2 3.77Å; I123-L139 HydrophobicContact CD1-CD1 3.81Å; I123-L139 HydrophobicContact CG1-CD1 4.17Å; L137-L139 HydrophobicContact CD1-CD1 4.35Å; L137-L139 HydrophobicContact CD1-CG 4.04Å; L137-L139 HydrophobicContact CD2-CD1 3.9Å; L137-L139 HydrophobicContact CD2-CG 4.45Å; L137-L139 HydrophobicContact CG-CD1 4.07Å; L137-L139 HydrophobicContact CG-CG 4.09Å; L139-N142 WeakPolarHBondContact O-CB 3.18Å; L139-N142 PolarHBondContact O-ND2 3.08Å; L139-I144 HydrophobicContact CB-CD1 4.03Å; L139-I144 HydrophobicContact CD1-CD1 4.31Å; L139-F161 PolarHBondContact N-O 2.77Å; L139-L162 HydrophobicContact CB-CD2 3.9Å; L139-L162 HydrophobicContact CD1-CD2 4.15Å; L139-N165 PolarHBondContact O-ND2 3.17Å
140	S	98.5	Very high	96.4	Very high	9 Å²	9	38.5 Å²	38.5	6%	0.063	22%	0.221	C	C	.	.			trans	-64.6	154.8	-175.9	-52.9	0	0	0	0	113.3	A116 N117 D138 N142 F161 C163	A116-S140 CarbonylContact C-O 3.15Å; A116-S140 WeakPolarHBondContact CA-O 3.22Å; A116-S140 VanDerWaalsContact CB-O 3.23Å; A116-S140 WeakPolarHBondContact CB-O 3.33Å; N117-S140 PolarHBondContact N-O 2.72Å; D138-S140 WeakPolarHBondContact OD1-CB 3.42Å; D138-S140 PolarHBondContact OD1-N 3.49Å; D138-S140 PolarHBondContact OD1-OG 3Å; S140-N142 PolarHBondContact O-N 3.26Å; S140-N142 PolarHBondContact O-ND2 2.96Å; S140-F161 PolarHBondContact N-O 2.83Å; S140-F161 WeakPolarHBondContact OG-CB 3.26Å; S140-C163 CarbonylContact C-O 3.45Å; S140-C163 WeakPolarHBondContact CA-O 3.49Å; S140-C163 WeakPolarHBondContact CB-O 3.48Å; S140-C163 PolarHBondContact OG-N 2.76Å
141	N	98.2	Very high	96.3	Very high	57 Å²	57	36 Å²	36	31%	0.305	21%	0.205	S	C	.	.	S	Bend	trans	57.8	45.2	178.8	-48.5	-86.4	0	0	0	112.7	N117 N118 C163 N164	N117-N141 VanDerWaalsContact CA-O 3.27Å; N117-N141 WeakPolarHBondContact CA-O 3.41Å; N117-N141 HydrophobicContact CB-CB 4.3Å; N117-N141 PolarHBondContact N-O 2.71Å; N117-N141 PolarHBondContact ND2-ND2 3.43Å; N117-N141 VanDerWaalsContact OD1-CB 3.25Å; N117-N141 WeakPolarHBondContact OD1-CB 3.42Å; N118-N141 PolarHBondContact N-O 3.11Å; N141-C163 PolarHBondContact N-O 3.37Å; N141-N164 VanDerWaalsContact CA-O 3.31Å; N141-N164 WeakPolarHBondContact CA-O 3.15Å; N141-N164 WeakPolarHBondContact OD1-CB 2.99Å; N141-N164 PolarHBondContact OD1-ND2 2.64Å
142	N	98.1	Very high	96.3	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.064	20%	0.204	C	C	.	.	S	Bend	trans	-115.7	-158.8	176.6	-86.7	-74.3	0	0	0	110.5	L115 N118 R119 I120 L139 S140 I144 N165	L115-N142 PolarHBondContact O-ND2 2.88Å; L115-N142 VanDerWaalsContact O-ND2 3.16Å; N118-N142 VanDerWaalsContact CA-OD1 3.26Å; N118-N142 WeakPolarHBondContact CA-OD1 3.46Å; N118-N142 WeakPolarHBondContact CB-OD1 3.34Å; N118-N142 PolarHBondContact N-OD1 3.46Å; R119-N142 PolarHBondContact N-OD1 2.72Å; R119-N142 VanDerWaalsContact N-OD1 3.1Å; I120-N142 HydrophobicContact CB-CB 4.27Å; I120-N142 WeakPolarHBondContact CB-OD1 3.39Å; I120-N142 PolarHBondContact N-OD1 3.45Å; L139-N142 WeakPolarHBondContact O-CB 3.18Å; L139-N142 PolarHBondContact O-ND2 3.08Å; S140-N142 PolarHBondContact O-N 3.26Å; S140-N142 PolarHBondContact O-ND2 2.96Å; N142-I144 HydrophobicContact CB-CD1 4.45Å; N142-I144 HydrophobicContact CB-CG1 4.36Å; N142-N165 VanDerWaalsContact CA-OD1 3.26Å; N142-N165 WeakPolarHBondContact CA-OD1 3.01Å; N142-N165 WeakPolarHBondContact CB-OD1 3.46Å; N142-N165 PolarHBondContact N-OD1 2.84Å; N142-N165 PolarHBondContact O-OD1 2.92Å
143	K	97.4	Very high	96.3	Very high	78 Å²	78	33.4 Å²	33.4	34%	0.339	18%	0.183	S	C	.	.			trans	-114.7	13.9	-177.8	-58.9	-178	-169.5	163.3	0	113.3	R119 I120 V145 N165	R119-K143 HydrophobicContact CB-CD 4.45Å; R119-K143 WeakPolarHBondContact O-CD 3.31Å; I120-K143 CarbonylContact O-C 3.56Å; I120-K143 WeakPolarHBondContact O-CA 3.17Å; I120-K143 WeakPolarHBondContact O-CB 3.37Å; I120-K143 PolarHBondContact O-N 3.31Å; K143-V145 WeakPolarHBondContact O-CG2 3.43Å; K143-V145 PolarHBondContact O-N 2.91Å; K143-N165 PolarHBondContact N-OD1 2.89Å
144	I	97.7	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.199	C	C	.	.			trans	-62.5	129.7	-171.5	-55.9	166.6	0	0	0	110.2	I120 S121 I123 L139 N142 L162 N165 R166 I167	I120-I144 HydrophobicContact CG2-CG1 4.48Å; I120-I144 PolarHBondContact O-N 3.01Å; S121-I144 WeakPolarHBondContact O-CA 3.31Å; I123-I144 HydrophobicContact CD1-CD1 4.12Å; I123-I144 HydrophobicContact CG1-CD1 4.02Å; I123-I144 HydrophobicContact CG1-CG2 4.39Å; L139-I144 HydrophobicContact CB-CD1 4.03Å; L139-I144 HydrophobicContact CD1-CD1 4.31Å; N142-I144 HydrophobicContact CB-CD1 4.45Å; N142-I144 HydrophobicContact CB-CG1 4.36Å; I144-L162 HydrophobicContact CD1-CD2 4.02Å; I144-N165 HydrophobicContact CB-CB 4.27Å; I144-N165 WeakPolarHBondContact CB-OD1 3.37Å; I144-N165 WeakPolarHBondContact CG1-OD1 3.24Å; I144-N165 PolarHBondContact N-OD1 2.91Å; I144-R166 CarbonylContact O-C 3.54Å; I144-R166 VanDerWaalsContact O-CA 3.25Å; I144-R166 WeakPolarHBondContact O-CA 3.39Å; I144-R166 WeakPolarHBondContact O-CB 3.42Å; I144-R166 PolarHBondContact O-N 2.76Å; I144-I167 HydrophobicContact CB-CG1 4.34Å; I144-I167 HydrophobicContact CG2-CD1 4.46Å; I144-I167 HydrophobicContact CG2-CG1 4.06Å; I144-I167 PolarHBondContact O-N 3.49Å; I144-I167 VanDerWaalsContact O-N 3.12Å
145	V	96.3	Very high	96	Very high	69 Å²	69	35.3 Å²	35.3	42%	0.418	20%	0.201	S	C	.	.			trans	-109.4	-29.1	-173.5	-174.7	0	0	0	0	113.2	K143 R166 I167 S168	K143-V145 WeakPolarHBondContact O-CG2 3.43Å; K143-V145 PolarHBondContact O-N 2.91Å; V145-R166 HydrophobicContact CG2-CB 4.26Å; V145-I167 WeakPolarHBondContact O-CA 3.39Å; V145-S168 PolarHBondContact O-N 3.08Å
146	E	94.9	Very high	95.9	Very high	89 Å²	89	33.9 Å²	33.9	42%	0.416	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.2	-176.6	57.5	-179.6	-174.7	0	0	110.1	K148 S169	E146-K148 WeakPolarHBondContact OE1-CE 3.42Å; E146-K148 IonicContact OE1-NZ 3Å; E146-K148 PolarHBondContact OE1-NZ 2.86Å; E146-K148 WeakPolarHBondContact OE2-CE 3.3Å; E146-K148 IonicContact OE2-NZ 3.12Å; E146-S169 WeakPolarHBondContact CA-O 3.43Å
147	I	95.3	Very high	95.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.4	167.4	-53.1	-173.7	0	0	0	107.6	I123 F152 L162 I167 S169 L170 E171 W174	I123-I147 HydrophobicContact CD1-CD1 4.47Å; I147-F152 HydrophobicContact CD1-CE2 4.46Å; I147-F152 HydrophobicContact CG2-CD2 4.13Å; I147-F152 HydrophobicContact CG2-CE2 3.68Å; I147-L162 HydrophobicContact CD1-CD1 3.64Å; I147-L162 HydrophobicContact CD1-CD2 4.43Å; I147-I167 HydrophobicContact CD1-CD1 3.98Å; I147-I167 HydrophobicContact CG1-CD1 4.39Å; I147-S169 PolarHBondContact N-O 3.27Å; I147-L170 HydrophobicContact CB-CD2 3.72Å; I147-L170 HydrophobicContact CD1-CD2 3.7Å; I147-L170 HydrophobicContact CG1-CD2 3.75Å; I147-E171 PolarHBondContact O-N 3.37Å; I147-W174 HydrophobicContact CG2-CB 4.08Å; I147-W174 HydrophobicContact CG2-CD2 4.22Å; I147-W174 HydrophobicContact CG2-CE3 3.79Å; I147-W174 HydrophobicContact CG2-CG 4.38Å
148	K	94.1	Very high	95.8	Very high	85 Å²	85	36 Å²	36	37%	0.37	21%	0.205	S	C	.	.			trans	-101.7	164.6	-173.7	-67.8	-177.4	178.7	161.2	0	112.3	E146 S150 S151 E171	E146-K148 WeakPolarHBondContact OE1-CE 3.42Å; E146-K148 IonicContact OE1-NZ 3Å; E146-K148 PolarHBondContact OE1-NZ 2.86Å; E146-K148 WeakPolarHBondContact OE2-CE 3.3Å; E146-K148 IonicContact OE2-NZ 3.12Å; K148-S150 PolarHBondContact O-N 3.41Å; K148-S151 PolarHBondContact N-OG 3.38Å; K148-S151 WeakPolarHBondContact O-CB 3.08Å; K148-S151 PolarHBondContact O-N 3.29Å; K148-E171 WeakPolarHBondContact CA-OE2 3.17Å; K148-E171 WeakPolarHBondContact CB-OE2 3.4Å; K148-E171 WeakPolarHBondContact CG-OE2 3.17Å
149	S	91.7	Very high	95.8	Very high	48 Å²	48	36.2 Å²	36.2	34%	0.336	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-37.5	169	50	0	0	0	0	111.9	E171	S149-E171 VanDerWaalsContact CB-OE1 3.24Å; S149-E171 WeakPolarHBondContact CB-OE1 3.41Å; S149-E171 VanDerWaalsContact N-CD 3.32Å; S149-E171 PolarHBondContact N-OE2 2.89Å; S149-E171 VanDerWaalsContact OG-CD 3.26Å; S149-E171 PolarHBondContact OG-OE1 3.34Å; S149-E171 PolarHBondContact OG-OE2 2.82Å
150	S	91.1	Very high	95.8	Very high	66 Å²	66	36.2 Å²	36.2	46%	0.462	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	17.7	176.6	60.1	0	0	0	0	115.4	E125 K148	E125-S150 PolarHBondContact N-O 2.89Å; K148-S150 PolarHBondContact O-N 3.41Å
151	S	94.1	Very high	95.8	Very high	4 Å²	4	38 Å²	38	3%	0.028	21%	0.213	C	C	.	.	S	Bend	trans	-74.4	-28.4	176.8	-83.2	0	0	0	0	113.6	I123 K148	I123-S151 VanDerWaalsContact CG2-O 3.27Å; I123-S151 WeakPolarHBondContact CG2-O 3.18Å; I123-S151 PolarHBondContact O-OG 3.34Å; K148-S151 PolarHBondContact N-OG 3.38Å; K148-S151 WeakPolarHBondContact O-CB 3.08Å; K148-S151 PolarHBondContact O-N 3.29Å
152	F	94.9	Very high	95.8	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	20%	0.198	C	C	.	.	S	Bend	trans	-124.1	124.1	-177.9	-67.4	-75.1	0	0	0	111.2	I123 L128 L137 I147 L157 L160 W174 N177 L178	I123-F152 HydrophobicContact CD1-CE1 4.25Å; I123-F152 HydrophobicContact CD1-CE2 4.19Å; I123-F152 HydrophobicContact CD1-CZ 3.59Å; I123-F152 HydrophobicContact CG2-CD1 4.48Å; I123-F152 HydrophobicContact CG2-CE1 4.09Å; I123-F152 HydrophobicContact CG2-CZ 4.33Å; L128-F152 HydrophobicContact CD1-CD1 3.6Å; L128-F152 HydrophobicContact CD1-CE1 3.82Å; L137-F152 HydrophobicContact CD2-CE1 4.27Å; I147-F152 HydrophobicContact CD1-CE2 4.46Å; I147-F152 HydrophobicContact CG2-CD2 4.13Å; I147-F152 HydrophobicContact CG2-CE2 3.68Å; F152-L157 HydrophobicContact CD1-CD1 4.46Å; F152-L160 HydrophobicContact CE1-CD1 4.09Å; F152-L160 HydrophobicContact CE1-CD2 4.07Å; F152-L160 HydrophobicContact CE2-CD2 4.1Å; F152-L160 HydrophobicContact CZ-CD1 4.06Å; F152-L160 HydrophobicContact CZ-CD2 3.64Å; F152-L160 HydrophobicContact CZ-CG 4.49Å; F152-W174 HydrophobicContact CD2-CE3 4.05Å; F152-W174 HydrophobicContact CD2-CZ3 4.34Å; F152-W174 AromaticContact CE2-CE3 3.91Å; F152-W174 HydrophobicContact CE2-CE3 3.91Å; F152-W174 AromaticContact CE2-CZ3 3.93Å; F152-W174 HydrophobicContact CE2-CZ3 3.93Å; F152-N177 PolarHBondContact O-ND2 2.66Å; F152-L178 HydrophobicContact CB-CD1 4.17Å; F152-L178 HydrophobicContact CB-CD2 4.18Å; F152-L178 HydrophobicContact CB-CG 4.2Å; F152-L178 HydrophobicContact CD1-CD1 4.18Å; F152-L178 HydrophobicContact CD2-CD1 4.14Å; F152-L178 HydrophobicContact CG-CD1 3.91Å; F152-L178 HydrophobicContact CG-CG 4.48Å
153	P	93.1	Very high	95.8	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.058	20%	0.199	C	C	.	.			trans	-70.3	173	165.6	11.1	-0.8	0	0	0	111	E125 L128 L155	E125-P153 HydrophobicContact CG-CB 4.08Å; E125-P153 HydrophobicContact CG-CG 4.17Å; L128-P153 HydrophobicContact CB-CG 3.79Å; P153-L155 HydrophobicContact CB-CG 4.41Å; P153-L155 HydrophobicContact CG-CD1 4.2Å; P153-L155 HydrophobicContact CG-CD2 4.34Å; P153-L155 HydrophobicContact CG-CG 4.07Å; P153-L155 PolarHBondContact O-N 3.27Å
154	A	93.4	Very high	95.8	Very high	82 Å²	82	35.3 Å²	35.3	68%	0.678	20%	0.203	S	C	*	.	S	Bend	trans	-65.4	101.1	168.7	0	0	0	0	0	110.2
155	L	93.9	Very high	95.8	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.037	21%	0.206	C	C	.	.			trans	-126.2	147.5	-176.6	-67.2	-179.9	0	0	0	110.5	L128 F131 P153 L157 L178 T181	L128-L155 HydrophobicContact CB-CD1 4.19Å; F131-L155 WeakPolarHBondContact O-CD2 3.38Å; P153-L155 HydrophobicContact CB-CG 4.41Å; P153-L155 HydrophobicContact CG-CD1 4.2Å; P153-L155 HydrophobicContact CG-CD2 4.34Å; P153-L155 HydrophobicContact CG-CG 4.07Å; P153-L155 PolarHBondContact O-N 3.27Å; L155-L157 HydrophobicContact CB-CD1 4.27Å; L155-L157 HydrophobicContact CB-CG 4.06Å; L155-L157 HydrophobicContact CD1-CD1 4.09Å; L155-L157 HydrophobicContact CD1-CG 4.45Å; L155-L157 PolarHBondContact O-N 3.28Å; L155-L178 HydrophobicContact CB-CD2 4.29Å; L155-T181 PolarHBondContact O-OG1 2.89Å
156	P	96	Very high	95.9	Very high	42 Å²	42	38.5 Å²	38.5	27%	0.273	21%	0.208	S	C	.	.			trans	-76.7	31.9	179.7	34.8	-37	0	0	0	113.4	A132 L134 K158 T181	A132-P156 VanDerWaalsContact O-CD 3.24Å; A132-P156 WeakPolarHBondContact O-CD 3.17Å; A132-P156 WeakPolarHBondContact O-CG 3.37Å; L134-P156 CarbonylContact O-C 3.55Å; P156-K158 PolarHBondContact O-N 2.87Å; P156-T181 HydrophobicContact CB-CG2 4.44Å
157	L	97.6	Very high	96	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.			trans	-61.7	122.5	-177	-78.9	172.1	0	0	0	110.5	L134 L137 F152 L155 L178 T181 L182	L134-L157 HydrophobicContact CD2-CD2 4.07Å; L134-L157 HydrophobicContact CG-CD2 3.87Å; L134-L157 WeakPolarHBondContact O-CA 3.26Å; L134-L157 WeakPolarHBondContact O-CD2 3.44Å; L134-L157 PolarHBondContact O-N 3.06Å; L137-L157 HydrophobicContact CB-CD2 3.69Å; L137-L157 HydrophobicContact CD2-CD1 4.45Å; F152-L157 HydrophobicContact CD1-CD1 4.46Å; L155-L157 HydrophobicContact CB-CD1 4.27Å; L155-L157 HydrophobicContact CB-CG 4.06Å; L155-L157 HydrophobicContact CD1-CD1 4.09Å; L155-L157 HydrophobicContact CD1-CG 4.45Å; L155-L157 PolarHBondContact O-N 3.28Å; L157-L178 HydrophobicContact CB-CD2 4.35Å; L157-L178 HydrophobicContact CD1-CD1 4.28Å; L157-L178 HydrophobicContact CD1-CD2 3.96Å; L157-T181 PolarHBondContact N-OG1 3.3Å; L157-T181 CarbonylContact O-C 3.52Å; L157-T181 WeakPolarHBondContact O-CB 3.46Å; L157-T181 PolarHBondContact O-OG1 2.87Å; L157-L182 HydrophobicContact CB-CD1 4.14Å; L157-L182 WeakPolarHBondContact O-CA 3.47Å; L157-L182 PolarHBondContact O-N 3.02Å
158	K	98.1	Very high	96	Very high	66 Å²	66	37 Å²	37	29%	0.287	21%	0.208	S	C	.	.	S	Bend	trans	-97.2	-35.2	170.8	-60	173.9	-168.7	164.6	0	110.8	E135 P156 Q183 I184	E135-K158 HydrophobicContact CB-CD 4.35Å; E135-K158 HydrophobicContact CB-CG 4.48Å; E135-K158 VanDerWaalsContact CD-CE 3.44Å; E135-K158 PolarHBondContact O-N 2.87Å; E135-K158 WeakPolarHBondContact OE1-CE 3.45Å; E135-K158 IonicContact OE1-NZ 2.74Å; E135-K158 PolarHBondContact OE1-NZ 2.84Å; E135-K158 WeakPolarHBondContact OE2-CE 3.35Å; E135-K158 IonicContact OE2-NZ 2.72Å; E135-K158 PolarHBondContact OE2-NZ 2.77Å; P156-K158 PolarHBondContact O-N 2.87Å; K158-Q183 WeakPolarHBondContact O-CA 3.26Å; K158-Q183 PolarHBondContact O-N 3.33Å; K158-I184 PolarHBondContact O-N 3.11Å
159	N	98.5	Very high	95.9	Very high	36 Å²	36	36 Å²	36	19%	0.193	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.6	-176.9	-50.6	-56.9	0	0	0	111.4	E135 T136 L137 F161 I184	E135-N159 PolarHBondContact O-N 2.75Å; T136-N159 WeakPolarHBondContact CA-O 3.32Å; T136-N159 HydrophobicContact CG2-CB 4.11Å; T136-N159 PolarHBondContact OG1-ND2 2.8Å; L137-N159 PolarHBondContact N-O 3.19Å; N159-F161 HydrophobicContact CB-CE2 3.72Å; N159-F161 HydrophobicContact CB-CZ 4.05Å; N159-I184 WeakPolarHBondContact OD1-CD1 3.47Å; N159-I184 WeakPolarHBondContact OD1-CG1 3.28Å
160	L	98.5	Very high	96	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	113.5	176.5	178.5	58	0	0	0	110.8	L137 F152 L162 W174 L178 L182 I184 L185 E186	L137-L160 HydrophobicContact CB-CD1 4.23Å; L137-L160 HydrophobicContact CD2-CD1 4.08Å; L137-L160 HydrophobicContact CG-CD1 4.19Å; F152-L160 HydrophobicContact CE1-CD1 4.09Å; F152-L160 HydrophobicContact CE1-CD2 4.07Å; F152-L160 HydrophobicContact CE2-CD2 4.1Å; F152-L160 HydrophobicContact CZ-CD1 4.06Å; F152-L160 HydrophobicContact CZ-CD2 3.64Å; F152-L160 HydrophobicContact CZ-CG 4.49Å; L160-L162 HydrophobicContact CD1-CD1 4.16Å; L160-L162 HydrophobicContact CD1-CG 4.18Å; L160-L162 HydrophobicContact CD2-CD1 3.9Å; L160-L162 HydrophobicContact CG-CD1 3.82Å; L160-L162 HydrophobicContact CG-CG 4.22Å; L160-W174 HydrophobicContact CD2-CZ3 4.25Å; L160-L178 HydrophobicContact CD2-CD1 3.95Å; L160-L182 HydrophobicContact CB-CD1 3.8Å; L160-L182 HydrophobicContact CB-CD2 4.47Å; L160-I184 PolarHBondContact N-O 2.98Å; L160-L185 HydrophobicContact CB-CD1 4.34Å; L160-L185 HydrophobicContact CD2-CD1 4.1Å; L160-L185 HydrophobicContact CG-CD1 4.21Å; L160-E186 PolarHBondContact O-N 2.89Å
161	F	98.6	Very high	96.1	Very high	45 Å²	45	35.3 Å²	35.3	20%	0.197	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.1	179.8	-51.8	-85	0	0	0	110.8	T136 L137 D138 L139 S140 N159 I184 E186	T136-F161 HydrophobicContact CG2-CE2 4.17Å; L137-F161 PolarHBondContact O-N 2.7Å; D138-F161 HydrophobicContact CB-CB 4.2Å; D138-F161 HydrophobicContact CB-CD2 4.1Å; D138-F161 WeakPolarHBondContact OD1-CB 3.32Å; L139-F161 PolarHBondContact N-O 2.77Å; S140-F161 PolarHBondContact N-O 2.83Å; S140-F161 WeakPolarHBondContact OG-CB 3.26Å; N159-F161 HydrophobicContact CB-CE2 3.72Å; N159-F161 HydrophobicContact CB-CZ 4.05Å; F161-I184 HydrophobicContact CE1-CG2 4.19Å; F161-E186 HydrophobicContact CD1-CB 4.09Å; F161-E186 HydrophobicContact CD1-CG 3.76Å; F161-E186 HydrophobicContact CE1-CG 4.06Å
162	L	98.3	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.229	C	C	.	.			trans	-128.5	17.3	-177.1	-72.5	159	0	0	0	111.6	I123 L139 I144 I147 L160 N165 I167 L185 E186 L187 N190	I123-L162 HydrophobicContact CD1-CD2 3.93Å; L139-L162 HydrophobicContact CB-CD2 3.9Å; L139-L162 HydrophobicContact CD1-CD2 4.15Å; I144-L162 HydrophobicContact CD1-CD2 4.02Å; I147-L162 HydrophobicContact CD1-CD1 3.64Å; I147-L162 HydrophobicContact CD1-CD2 4.43Å; L160-L162 HydrophobicContact CD1-CD1 4.16Å; L160-L162 HydrophobicContact CD1-CG 4.18Å; L160-L162 HydrophobicContact CD2-CD1 3.9Å; L160-L162 HydrophobicContact CG-CD1 3.82Å; L160-L162 HydrophobicContact CG-CG 4.22Å; L162-N165 PolarHBondContact O-ND2 2.72Å; L162-I167 HydrophobicContact CB-CD1 4.09Å; L162-I167 HydrophobicContact CD2-CD1 4.43Å; L162-L185 HydrophobicContact CD1-CD1 4.48Å; L162-E186 CarbonylContact C-O 3.6Å; L162-E186 WeakPolarHBondContact CA-O 3.39Å; L162-E186 WeakPolarHBondContact CB-O 3.18Å; L162-E186 PolarHBondContact N-O 2.96Å; L162-L187 HydrophobicContact CB-CD2 3.92Å; L162-L187 HydrophobicContact CD1-CD2 3.84Å; L162-N190 PolarHBondContact O-ND2 2.9Å
163	C	97.9	Very high	95.6	Very high	13 Å²	13	40.7 Å²	40.7	9%	0.088	24%	0.237	C	C	.	.			trans	-58.1	145.9	-176.1	-78.2	0	0	0	0	113.4	S140 N141 N165 E186 S188	S140-C163 CarbonylContact C-O 3.45Å; S140-C163 WeakPolarHBondContact CA-O 3.49Å; S140-C163 WeakPolarHBondContact CB-O 3.48Å; S140-C163 PolarHBondContact OG-N 2.76Å; N141-C163 PolarHBondContact N-O 3.37Å; C163-N165 PolarHBondContact O-N 2.87Å; C163-N165 PolarHBondContact O-ND2 3.48Å; C163-E186 WeakPolarHBondContact SG-CB 3.38Å; C163-E186 PolarHBondContact SG-OE2 2.87Å; C163-S188 CarbonylContact C-O 3Å; C163-S188 VanDerWaalsContact CA-O 3.3Å; C163-S188 WeakPolarHBondContact CA-O 3.37Å; C163-S188 PolarHBondContact SG-OG 2.78Å
164	N	98.1	Very high	95.5	Very high	79 Å²	79	40.3 Å²	40.3	42%	0.422	23%	0.234	S	C	.	.	S	Bend	trans	54.2	47	175.4	-165.3	35.1	0	0	0	113.6	N141 S188 H189	N141-N164 VanDerWaalsContact CA-O 3.31Å; N141-N164 WeakPolarHBondContact CA-O 3.15Å; N141-N164 WeakPolarHBondContact OD1-CB 2.99Å; N141-N164 PolarHBondContact OD1-ND2 2.64Å; N164-S188 PolarHBondContact N-O 2.88Å; N164-H189 WeakPolarHBondContact CA-O 3.49Å; N164-H189 HydrophobicContact CB-CB 3.98Å
165	N	98.1	Very high	95.5	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.048	20%	0.202	C	C	.	.	S	Bend	trans	-101.9	-152.7	170	-89	-78.3	0	0	0	109.4	L139 N142 K143 I144 L162 C163 I167 N190	L139-N165 PolarHBondContact O-ND2 3.17Å; N142-N165 VanDerWaalsContact CA-OD1 3.26Å; N142-N165 WeakPolarHBondContact CA-OD1 3.01Å; N142-N165 WeakPolarHBondContact CB-OD1 3.46Å; N142-N165 PolarHBondContact N-OD1 2.84Å; N142-N165 PolarHBondContact O-OD1 2.92Å; K143-N165 PolarHBondContact N-OD1 2.89Å; I144-N165 HydrophobicContact CB-CB 4.27Å; I144-N165 WeakPolarHBondContact CB-OD1 3.37Å; I144-N165 WeakPolarHBondContact CG1-OD1 3.24Å; I144-N165 PolarHBondContact N-OD1 2.91Å; L162-N165 PolarHBondContact O-ND2 2.72Å; C163-N165 PolarHBondContact O-N 2.87Å; C163-N165 PolarHBondContact O-ND2 3.48Å; N165-I167 HydrophobicContact CB-CD1 4.08Å; N165-I167 HydrophobicContact CB-CG1 4.03Å; N165-N190 VanDerWaalsContact CA-OD1 3.27Å; N165-N190 WeakPolarHBondContact CA-OD1 3.11Å; N165-N190 WeakPolarHBondContact CB-OD1 3.49Å; N165-N190 PolarHBondContact N-OD1 3.28Å
166	R	97.1	Very high	95.4	Very high	126 Å²	126	39.2 Å²	39.2	48%	0.475	22%	0.219	S	C	.	.			trans	-124.2	18.7	178	-60.5	178.7	176.6	-162.6	-4.6	111.6	I144 V145 S168 N190	I144-R166 CarbonylContact O-C 3.54Å; I144-R166 VanDerWaalsContact O-CA 3.25Å; I144-R166 WeakPolarHBondContact O-CA 3.39Å; I144-R166 WeakPolarHBondContact O-CB 3.42Å; I144-R166 PolarHBondContact O-N 2.76Å; V145-R166 HydrophobicContact CG2-CB 4.26Å; R166-S168 PolarHBondContact O-N 3.23Å; R166-S168 VanDerWaalsContact O-N 3.08Å; R166-N190 PolarHBondContact N-OD1 3.18Å
167	I	97.5	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.			trans	-61.5	111.4	-168.1	-60.6	161.9	0	0	0	109.5	I144 V145 I147 L162 N165 L170 L187 N190 R191 I192	I144-I167 HydrophobicContact CB-CG1 4.34Å; I144-I167 HydrophobicContact CG2-CD1 4.46Å; I144-I167 HydrophobicContact CG2-CG1 4.06Å; I144-I167 PolarHBondContact O-N 3.49Å; I144-I167 VanDerWaalsContact O-N 3.12Å; V145-I167 WeakPolarHBondContact O-CA 3.39Å; I147-I167 HydrophobicContact CD1-CD1 3.98Å; I147-I167 HydrophobicContact CG1-CD1 4.39Å; L162-I167 HydrophobicContact CB-CD1 4.09Å; L162-I167 HydrophobicContact CD2-CD1 4.43Å; N165-I167 HydrophobicContact CB-CD1 4.08Å; N165-I167 HydrophobicContact CB-CG1 4.03Å; I167-L170 HydrophobicContact CG2-CD2 3.64Å; I167-L170 HydrophobicContact CG2-CG 4.11Å; I167-L187 HydrophobicContact CD1-CD2 4.07Å; I167-N190 HydrophobicContact CB-CB 4.15Å; I167-N190 WeakPolarHBondContact CB-OD1 3.26Å; I167-N190 WeakPolarHBondContact CG1-OD1 3.45Å; I167-N190 PolarHBondContact N-OD1 3.43Å; I167-R191 CarbonylContact O-C 3.38Å; I167-R191 VanDerWaalsContact O-CA 3.25Å; I167-R191 WeakPolarHBondContact O-CA 3.36Å; I167-R191 WeakPolarHBondContact O-CB 3.17Å; I167-R191 PolarHBondContact O-N 3.41Å; I167-I192 HydrophobicContact CG2-CG1 4.29Å; I167-I192 PolarHBondContact O-N 2.86Å; I167-I192 VanDerWaalsContact O-N 3.12Å
168	S	95.5	Very high	95.1	Very high	60 Å²	60	40.2 Å²	40.2	42%	0.42	22%	0.222	S	C	.	.			trans	-110.9	-17.6	176.6	49.3	0	0	0	0	113.4	V145 R166	V145-S168 PolarHBondContact O-N 3.08Å; R166-S168 PolarHBondContact O-N 3.23Å; R166-S168 VanDerWaalsContact O-N 3.08Å
169	S	92.3	Very high	94.9	Very high	62 Å²	62	38 Å²	38	43%	0.434	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139	176.5	-167.7	0	0	0	0	110.4	E146 I147	E146-S169 WeakPolarHBondContact CA-O 3.43Å; I147-S169 PolarHBondContact N-O 3.27Å
170	L	93.7	Very high	94.6	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.126	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.9	168.3	-64.5	175.5	0	0	0	105.6	I147 I167 L187 I192 F199	I147-L170 HydrophobicContact CB-CD2 3.72Å; I147-L170 HydrophobicContact CD1-CD2 3.7Å; I147-L170 HydrophobicContact CG1-CD2 3.75Å; I167-L170 HydrophobicContact CG2-CD2 3.64Å; I167-L170 HydrophobicContact CG2-CG 4.11Å; L170-L187 HydrophobicContact CD1-CD1 4.25Å; L170-I192 HydrophobicContact CD1-CD1 3.9Å; L170-I192 HydrophobicContact CD1-CG1 4.4Å; L170-F199 HydrophobicContact CB-CE1 3.69Å; L170-F199 HydrophobicContact CB-CZ 3.49Å; L170-F199 VanDerWaalsContact CB-CZ 3.49Å; L170-F199 HydrophobicContact CD1-CE1 3.87Å; L170-F199 HydrophobicContact CG-CE1 4.44Å; L170-F199 WeakPolarHBondContact O-CZ 3.38Å
171	E	92.2	Very high	94.5	Very high	77 Å²	77	42 Å²	42	36%	0.36	25%	0.246	S	C	.	.			trans	-74.6	152.3	-177.7	-162.6	-173.4	143.9	0	0	111.6	I147 K148 S149 G173 W174	I147-E171 PolarHBondContact O-N 3.37Å; K148-E171 WeakPolarHBondContact CA-OE2 3.17Å; K148-E171 WeakPolarHBondContact CB-OE2 3.4Å; K148-E171 WeakPolarHBondContact CG-OE2 3.17Å; S149-E171 VanDerWaalsContact CB-OE1 3.24Å; S149-E171 WeakPolarHBondContact CB-OE1 3.41Å; S149-E171 VanDerWaalsContact N-CD 3.32Å; S149-E171 PolarHBondContact N-OE2 2.89Å; S149-E171 VanDerWaalsContact OG-CD 3.26Å; S149-E171 PolarHBondContact OG-OE1 3.34Å; S149-E171 PolarHBondContact OG-OE2 2.82Å; E171-G173 PolarHBondContact O-N 2.91Å; E171-W174 WeakPolarHBondContact O-CB 3.42Å; E171-W174 PolarHBondContact O-N 3.38Å
172	S	89.5	Confident	94.4	Very high	102 Å²	102	39.9 Å²	39.9	71%	0.713	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	128.4	173.2	-170.6	0	0	0	0	111.2	W174	S172-W174 PolarHBondContact O-N 2.84Å
173	G	88.8	Confident	94.4	Very high	16 Å²	16	43.4 Å²	43.4	17%	0.165	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	5.9	176.2	0	0	0	0	0	116.7	E171 S175 T176	E171-G173 PolarHBondContact O-N 2.91Å; G173-S175 PolarHBondContact O-N 2.82Å; G173-T176 WeakPolarHBondContact O-CB 3.27Å; G173-T176 WeakPolarHBondContact O-CG2 3.3Å; G173-T176 PolarHBondContact O-N 2.9Å; G173-T176 PolarHBondContact O-OG1 2.66Å
174	W	92.7	Very high	94.5	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-25.1	178.9	75.7	-86.1	0	0	0	115.3	I147 F152 L160 E171 S172 L185 L187 F199 F200	I147-W174 HydrophobicContact CG2-CB 4.08Å; I147-W174 HydrophobicContact CG2-CD2 4.22Å; I147-W174 HydrophobicContact CG2-CE3 3.79Å; I147-W174 HydrophobicContact CG2-CG 4.38Å; F152-W174 HydrophobicContact CD2-CE3 4.05Å; F152-W174 HydrophobicContact CD2-CZ3 4.34Å; F152-W174 AromaticContact CE2-CE3 3.91Å; F152-W174 HydrophobicContact CE2-CE3 3.91Å; F152-W174 AromaticContact CE2-CZ3 3.93Å; F152-W174 HydrophobicContact CE2-CZ3 3.93Å; L160-W174 HydrophobicContact CD2-CZ3 4.25Å; E171-W174 WeakPolarHBondContact O-CB 3.42Å; E171-W174 PolarHBondContact O-N 3.38Å; S172-W174 PolarHBondContact O-N 2.84Å; W174-L185 HydrophobicContact CH2-CD1 3.91Å; W174-L185 HydrophobicContact CH2-CD2 3.63Å; W174-L185 HydrophobicContact CH2-CG 4.44Å; W174-L185 HydrophobicContact CZ2-CD2 3.91Å; W174-L187 HydrophobicContact CZ2-CD1 4.45Å; W174-F199 AromaticContact CD1-CE1 3.88Å; W174-F199 AromaticContact CD1-CZ 3.65Å; W174-F199 AromaticContact NE1-CE1 3.39Å; W174-F199 AromaticContact NE1-CZ 3.69Å; W174-F200 HydrophobicContact CZ2-CD1 4.18Å; W174-F200 HydrophobicContact CZ2-CE1 4.23Å
175	S	92.8	Very high	94.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.1	-176.4	43.7	0	0	0	0	114.3	G173 N177 L178 A179 F200	G173-S175 PolarHBondContact O-N 2.82Å; S175-N177 PolarHBondContact O-N 2.72Å; S175-L178 PolarHBondContact O-N 3.49Å; S175-A179 PolarHBondContact O-N 2.91Å; S175-F200 WeakPolarHBondContact CB-O 3.4Å; S175-F200 PolarHBondContact OG-O 2.8Å
176	T	91.8	Very high	94.5	Very high	65 Å²	65	43 Å²	43	40%	0.399	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-56.6	-45.4	-171.5	48.8	0	0	0	0	113.2	G173 L178 A179	G173-T176 WeakPolarHBondContact O-CB 3.27Å; G173-T176 WeakPolarHBondContact O-CG2 3.3Å; G173-T176 PolarHBondContact O-N 2.9Å; G173-T176 PolarHBondContact O-OG1 2.66Å; T176-L178 PolarHBondContact O-N 2.83Å; T176-L178 VanDerWaalsContact O-N 3.13Å; T176-A179 VanDerWaalsContact O-CB 3.28Å; T176-A179 WeakPolarHBondContact O-CB 3.31Å; T176-A179 PolarHBondContact O-N 2.84Å
177	N	92.8	Very high	94.6	Very high	64 Å²	64	37 Å²	37	34%	0.342	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-65.2	-12	177.5	-76.5	-18.9	0	0	0	114.4	F152 S175	F152-N177 PolarHBondContact O-ND2 2.66Å; S175-N177 PolarHBondContact O-N 2.72Å
178	L	94.6	Very high	94.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-108.4	-3.5	179.9	-52.5	-176.4	0	0	0	113.1	F152 L155 L157 L160 S175 T176 S180 T181 L182 L202	F152-L178 HydrophobicContact CB-CD1 4.17Å; F152-L178 HydrophobicContact CB-CD2 4.18Å; F152-L178 HydrophobicContact CB-CG 4.2Å; F152-L178 HydrophobicContact CD1-CD1 4.18Å; F152-L178 HydrophobicContact CD2-CD1 4.14Å; F152-L178 HydrophobicContact CG-CD1 3.91Å; F152-L178 HydrophobicContact CG-CG 4.48Å; L155-L178 HydrophobicContact CB-CD2 4.29Å; L157-L178 HydrophobicContact CB-CD2 4.35Å; L157-L178 HydrophobicContact CD1-CD1 4.28Å; L157-L178 HydrophobicContact CD1-CD2 3.96Å; L160-L178 HydrophobicContact CD2-CD1 3.95Å; S175-L178 PolarHBondContact O-N 3.49Å; T176-L178 PolarHBondContact O-N 2.83Å; T176-L178 VanDerWaalsContact O-N 3.13Å; L178-S180 PolarHBondContact O-N 2.02Å; L178-T181 PolarHBondContact O-N 3.08Å; L178-L182 HydrophobicContact CB-CB 4.25Å; L178-L182 HydrophobicContact CB-CD2 4.35Å; L178-L182 HydrophobicContact CD1-CD2 4.29Å; L178-L182 WeakPolarHBondContact O-CB 3.41Å; L178-L182 PolarHBondContact O-N 2.86Å; L178-L202 HydrophobicContact CB-CD2 4.39Å
179	A	92.9	Very high	94.7	Very high	20 Å²	20	38.1 Å²	38.1	17%	0.165	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.9	-171.4	0	0	0	0	0	114.4	S175 T176 Q201 L202 P203	S175-A179 PolarHBondContact O-N 2.91Å; T176-A179 VanDerWaalsContact O-CB 3.28Å; T176-A179 WeakPolarHBondContact O-CB 3.31Å; T176-A179 PolarHBondContact O-N 2.84Å; A179-Q201 VanDerWaalsContact CB-O 3.26Å; A179-Q201 WeakPolarHBondContact CB-O 3.27Å; A179-L202 HydrophobicContact CB-CD2 4.4Å; A179-P203 WeakPolarHBondContact O-CD 3.4Å
180	S	93.1	Very high	95	Very high	83 Å²	83	35.6 Å²	35.6	58%	0.58	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-24.3	-178.8	54.2	0	0	0	0	114	L178 N204	L178-S180 PolarHBondContact O-N 2.02Å; S180-N204 PolarHBondContact O-ND2 2.95Å
181	T	96	Very high	95.2	Very high	36 Å²	36	40.6 Å²	40.6	22%	0.221	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-22.3	-170.5	57.7	0	0	0	0	116	L155 P156 L157 L178 Q183	L155-T181 PolarHBondContact O-OG1 2.89Å; P156-T181 HydrophobicContact CB-CG2 4.44Å; L157-T181 PolarHBondContact N-OG1 3.3Å; L157-T181 CarbonylContact O-C 3.52Å; L157-T181 WeakPolarHBondContact O-CB 3.46Å; L157-T181 PolarHBondContact O-OG1 2.87Å; L178-T181 PolarHBondContact O-N 3.08Å; T181-Q183 PolarHBondContact O-N 2.89Å
182	L	97.8	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.208	C	C	.	.			trans	-73.5	122.7	-167.7	-163.4	68.6	0	0	0	112.9	L157 L160 L178 L185 L202 N204 L205	L157-L182 HydrophobicContact CB-CD1 4.14Å; L157-L182 WeakPolarHBondContact O-CA 3.47Å; L157-L182 PolarHBondContact O-N 3.02Å; L160-L182 HydrophobicContact CB-CD1 3.8Å; L160-L182 HydrophobicContact CB-CD2 4.47Å; L178-L182 HydrophobicContact CB-CB 4.25Å; L178-L182 HydrophobicContact CB-CD2 4.35Å; L178-L182 HydrophobicContact CD1-CD2 4.29Å; L178-L182 WeakPolarHBondContact O-CB 3.41Å; L178-L182 PolarHBondContact O-N 2.86Å; L182-L185 HydrophobicContact CD2-CB 4.26Å; L182-L202 HydrophobicContact CB-CD2 4.23Å; L182-L202 HydrophobicContact CD2-CD1 3.94Å; L182-L202 HydrophobicContact CD2-CD2 4.19Å; L182-N204 CarbonylContact O-C 3.47Å; L182-N204 VanDerWaalsContact O-C 3.28Å; L182-L205 HydrophobicContact CG-CD1 4.26Å; L182-L205 WeakPolarHBondContact O-CA 3.39Å; L182-L205 PolarHBondContact O-N 2.81Å
183	Q	98.1	Very high	95.7	Very high	74 Å²	74	35.6 Å²	35.6	35%	0.346	20%	0.196	S	C	.	.			trans	-111.8	-32.9	-176.1	-66.9	175.1	10.2	0	0	112.7	K158 T181 Q206 H207	K158-Q183 WeakPolarHBondContact O-CA 3.26Å; K158-Q183 PolarHBondContact O-N 3.33Å; T181-Q183 PolarHBondContact O-N 2.89Å; Q183-Q206 PolarHBondContact O-N 2.7Å; Q183-H207 PolarHBondContact O-N 3.35Å; Q183-H207 VanDerWaalsContact O-N 3.1Å
184	I	98.6	Very high	95.6	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.205	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.3	178.6	-54.6	-172.7	0	0	0	109.9	K158 N159 L160 F161 E186 H207	K158-I184 PolarHBondContact O-N 3.11Å; N159-I184 WeakPolarHBondContact OD1-CD1 3.47Å; N159-I184 WeakPolarHBondContact OD1-CG1 3.28Å; L160-I184 PolarHBondContact N-O 2.98Å; F161-I184 HydrophobicContact CE1-CG2 4.19Å; I184-E186 HydrophobicContact CG2-CG 4.3Å; I184-H207 HydrophobicContact CG1-CB 4.38Å; I184-H207 HydrophobicContact CG2-CB 4.4Å
185	L	98.4	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	114.7	174.8	174.2	57.7	0	0	0	110	L160 L162 W174 L182 L187 F200 L202 L205 H207 L208 D209	L160-L185 HydrophobicContact CB-CD1 4.34Å; L160-L185 HydrophobicContact CD2-CD1 4.1Å; L160-L185 HydrophobicContact CG-CD1 4.21Å; L162-L185 HydrophobicContact CD1-CD1 4.48Å; W174-L185 HydrophobicContact CH2-CD1 3.91Å; W174-L185 HydrophobicContact CH2-CD2 3.63Å; W174-L185 HydrophobicContact CH2-CG 4.44Å; W174-L185 HydrophobicContact CZ2-CD2 3.91Å; L182-L185 HydrophobicContact CD2-CB 4.26Å; L185-L187 HydrophobicContact CD1-CD1 4.16Å; L185-L187 HydrophobicContact CD1-CG 4.01Å; L185-L187 HydrophobicContact CD2-CD1 4Å; L185-L187 HydrophobicContact CG-CD1 4.05Å; L185-L187 HydrophobicContact CG-CG 4.24Å; L185-F200 HydrophobicContact CD2-CD1 4.25Å; L185-F200 HydrophobicContact CD2-CE1 4.25Å; L185-L202 HydrophobicContact CD2-CD1 3.91Å; L185-L205 HydrophobicContact CB-CD1 3.78Å; L185-L205 HydrophobicContact CB-CD2 4.39Å; L185-H207 PolarHBondContact N-O 2.91Å; L185-L208 HydrophobicContact CB-CD1 4.19Å; L185-L208 HydrophobicContact CD2-CD1 3.87Å; L185-L208 HydrophobicContact CG-CD1 3.94Å; L185-L208 WeakPolarHBondContact O-CA 3.44Å; L185-D209 PolarHBondContact O-N 2.92Å
186	E	98.5	Very high	95.2	Very high	54 Å²	54	42 Å²	42	25%	0.252	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.4	174	-56.2	-163.7	164.9	0	0	112.4	L160 F161 L162 C163 I184 D209	L160-E186 PolarHBondContact O-N 2.89Å; F161-E186 HydrophobicContact CD1-CB 4.09Å; F161-E186 HydrophobicContact CD1-CG 3.76Å; F161-E186 HydrophobicContact CE1-CG 4.06Å; L162-E186 CarbonylContact C-O 3.6Å; L162-E186 WeakPolarHBondContact CA-O 3.39Å; L162-E186 WeakPolarHBondContact CB-O 3.18Å; L162-E186 PolarHBondContact N-O 2.96Å; C163-E186 WeakPolarHBondContact SG-CB 3.38Å; C163-E186 PolarHBondContact SG-OE2 2.87Å; I184-E186 HydrophobicContact CG2-CG 4.3Å; E186-D209 HydrophobicContact CB-CB 4.11Å; E186-D209 HydrophobicContact CG-CB 4.04Å
187	L	98.2	Very high	95	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.231	C	C	.	.			trans	-117.5	19.3	179.3	-73.6	163.7	0	0	0	111.7	L162 I167 L170 W174 L185 N190 I192 F200 D209 L210 N213	L162-L187 HydrophobicContact CB-CD2 3.92Å; L162-L187 HydrophobicContact CD1-CD2 3.84Å; I167-L187 HydrophobicContact CD1-CD2 4.07Å; L170-L187 HydrophobicContact CD1-CD1 4.25Å; W174-L187 HydrophobicContact CZ2-CD1 4.45Å; L185-L187 HydrophobicContact CD1-CD1 4.16Å; L185-L187 HydrophobicContact CD1-CG 4.01Å; L185-L187 HydrophobicContact CD2-CD1 4Å; L185-L187 HydrophobicContact CG-CD1 4.05Å; L185-L187 HydrophobicContact CG-CG 4.24Å; L187-N190 WeakPolarHBondContact O-CB 3.18Å; L187-N190 PolarHBondContact O-ND2 3.01Å; L187-I192 HydrophobicContact CB-CD1 4.11Å; L187-I192 HydrophobicContact CD1-CD1 4.36Å; L187-I192 HydrophobicContact CD2-CD1 4.49Å; L187-F200 HydrophobicContact CD1-CE1 4.36Å; L187-D209 CarbonylContact C-O 3.54Å; L187-D209 WeakPolarHBondContact CA-O 3.42Å; L187-D209 PolarHBondContact N-O 3.47Å; L187-L210 HydrophobicContact CB-CD2 4.04Å; L187-L210 HydrophobicContact CD1-CD2 3.98Å; L187-N213 PolarHBondContact O-ND2 3.44Å
188	S	98.4	Very high	94.8	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.063	24%	0.236	C	C	.	.			trans	-64.7	159.7	-173.9	87	0	0	0	0	113.5	C163 N164 N190 D209 S211	C163-S188 CarbonylContact C-O 3Å; C163-S188 VanDerWaalsContact CA-O 3.3Å; C163-S188 WeakPolarHBondContact CA-O 3.37Å; C163-S188 PolarHBondContact SG-OG 2.78Å; N164-S188 PolarHBondContact N-O 2.88Å; S188-N190 VanDerWaalsContact C-N 3.3Å; S188-N190 PolarHBondContact O-N 2.82Å; S188-N190 PolarHBondContact O-ND2 2.84Å; S188-N190 VanDerWaalsContact O-ND2 3.14Å; S188-D209 WeakPolarHBondContact CB-OD1 3.29Å; S188-D209 PolarHBondContact N-O 2.99Å; S188-S211 CarbonylContact C-O 3.36Å; S188-S211 WeakPolarHBondContact CA-O 3.26Å; S188-S211 WeakPolarHBondContact CB-O 3.46Å; S188-S211 WeakPolarHBondContact CB-OG 3.49Å
189	H	98.4	Very high	94.5	Very high	73 Å²	73	45.2 Å²	45.2	34%	0.338	24%	0.241	S	C	.	.	S	Bend	trans	56.5	38	178	-58	79.7	0	0	0	113.8	N164 S211 R212	N164-H189 WeakPolarHBondContact CA-O 3.49Å; N164-H189 HydrophobicContact CB-CB 3.98Å; H189-S211 PolarHBondContact N-O 2.8Å; H189-R212 WeakPolarHBondContact CA-O 3.44Å; H189-R212 VanDerWaalsContact CD2-CD 3.42Å; H189-R212 WeakPolarHBondContact CD2-CD 3.32Å; H189-R212 WeakPolarHBondContact CE1-CD 3.42Å; H189-R212 WeakPolarHBondContact NE2-CD 3.36Å; H189-R212 PolarHBondContact NE2-NE 3.07Å; H189-R212 PolarHBondContact NE2-NH1 2.84Å
190	N	98.4	Very high	94.3	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.048	23%	0.234	C	C	.	.	S	Bend	trans	-109.7	-160.3	178	-85.3	-70.5	0	0	0	111.2	L162 N165 R166 I167 L187 S188 I192 N213	L162-N190 PolarHBondContact O-ND2 2.9Å; N165-N190 VanDerWaalsContact CA-OD1 3.27Å; N165-N190 WeakPolarHBondContact CA-OD1 3.11Å; N165-N190 WeakPolarHBondContact CB-OD1 3.49Å; N165-N190 PolarHBondContact N-OD1 3.28Å; R166-N190 PolarHBondContact N-OD1 3.18Å; I167-N190 HydrophobicContact CB-CB 4.15Å; I167-N190 WeakPolarHBondContact CB-OD1 3.26Å; I167-N190 WeakPolarHBondContact CG1-OD1 3.45Å; I167-N190 PolarHBondContact N-OD1 3.43Å; L187-N190 WeakPolarHBondContact O-CB 3.18Å; L187-N190 PolarHBondContact O-ND2 3.01Å; S188-N190 VanDerWaalsContact C-N 3.3Å; S188-N190 PolarHBondContact O-N 2.82Å; S188-N190 PolarHBondContact O-ND2 2.84Å; S188-N190 VanDerWaalsContact O-ND2 3.14Å; N190-I192 HydrophobicContact CB-CD1 4.48Å; N190-I192 HydrophobicContact CB-CG1 4.39Å; N190-N213 VanDerWaalsContact CA-OD1 3.26Å; N190-N213 WeakPolarHBondContact CA-OD1 3.43Å; N190-N213 WeakPolarHBondContact CB-OD1 3.3Å; N190-N213 PolarHBondContact N-OD1 3.01Å; N190-N213 PolarHBondContact O-OD1 2.94Å
191	R	97.5	Very high	94.2	Very high	129 Å²	129	44.9 Å²	44.9	49%	0.487	23%	0.227	S	C	.	.			trans	-121.3	15.8	-175.8	-59.5	-178.5	174.5	-165.2	-7	112.7	I167 S193 N213	I167-R191 CarbonylContact O-C 3.38Å; I167-R191 VanDerWaalsContact O-CA 3.25Å; I167-R191 WeakPolarHBondContact O-CA 3.36Å; I167-R191 WeakPolarHBondContact O-CB 3.17Å; I167-R191 PolarHBondContact O-N 3.41Å; R191-S193 PolarHBondContact O-N 2.98Å; R191-N213 PolarHBondContact N-OD1 2.73Å
192	I	96.8	Very high	94.2	Very high	6 Å²	6	43.2 Å²	43.2	3%	0.031	22%	0.217	C	C	.	.			trans	-61.3	126.8	-178	-56.7	165.8	0	0	0	108.6	I167 L170 L187 N190 I195 L210 N213 Q214 I215	I167-I192 HydrophobicContact CG2-CG1 4.29Å; I167-I192 PolarHBondContact O-N 2.86Å; I167-I192 VanDerWaalsContact O-N 3.12Å; L170-I192 HydrophobicContact CD1-CD1 3.9Å; L170-I192 HydrophobicContact CD1-CG1 4.4Å; L187-I192 HydrophobicContact CB-CD1 4.11Å; L187-I192 HydrophobicContact CD1-CD1 4.36Å; L187-I192 HydrophobicContact CD2-CD1 4.49Å; N190-I192 HydrophobicContact CB-CD1 4.48Å; N190-I192 HydrophobicContact CB-CG1 4.39Å; I192-I195 HydrophobicContact CG2-CG1 4.13Å; I192-L210 HydrophobicContact CD1-CD2 4.17Å; I192-N213 HydrophobicContact CB-CB 4.24Å; I192-N213 WeakPolarHBondContact CB-OD1 3.34Å; I192-N213 WeakPolarHBondContact CG1-OD1 3.46Å; I192-N213 PolarHBondContact N-OD1 3.05Å; I192-Q214 CarbonylContact O-C 3.53Å; I192-Q214 WeakPolarHBondContact O-CA 3.21Å; I192-Q214 PolarHBondContact O-N 2.88Å; I192-I215 HydrophobicContact CG2-CG1 4.41Å; I192-I215 PolarHBondContact O-N 2.71Å
193	S	94.4	Very high	94.1	Very high	68 Å²	68	45.9 Å²	45.9	48%	0.476	23%	0.234	S	C	.	.			trans	-115.9	-21.3	-172.9	59.2	0	0	0	0	114.2	R191	R191-S193 PolarHBondContact O-N 2.98Å
194	N	87.6	Confident	94	Very high	96 Å²	96	45.7 Å²	45.7	51%	0.513	24%	0.236	S	C	.	.			trans	-139.6	150.7	178.3	-167.3	22.1	0	0	0	110.5
195	I	90.3	Very high	94	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	23%	0.226	C	C	.	.			trans	-143.3	106.9	170.6	-51.7	-179.6	0	0	0	106.7	I192 F199 F200 L210 I215 T222	I192-I195 HydrophobicContact CG2-CG1 4.13Å; I195-F199 HydrophobicContact CG2-CB 3.76Å; I195-F199 HydrophobicContact CG2-CD1 3.89Å; I195-F199 HydrophobicContact CG2-CG 4.08Å; I195-F200 HydrophobicContact CD1-CE2 4.38Å; I195-F200 HydrophobicContact CD1-CZ 4.27Å; I195-F200 HydrophobicContact CG2-CD2 4.5Å; I195-F200 HydrophobicContact CG2-CE2 3.69Å; I195-F200 HydrophobicContact CG2-CZ 4.19Å; I195-L210 HydrophobicContact CD1-CD1 3.6Å; I195-L210 HydrophobicContact CD1-CD2 4.06Å; I195-L210 HydrophobicContact CD1-CG 4.42Å; I195-I215 HydrophobicContact CD1-CD1 3.65Å; I195-I215 HydrophobicContact CD1-CG1 4.4Å; I195-I215 HydrophobicContact CG1-CD1 4.32Å; I195-T222 HydrophobicContact CB-CG2 4.06Å; I195-T222 HydrophobicContact CG2-CG2 3.57Å; I195-T222 PolarHBondContact O-OG1 3.41Å
196	P	86.9	Confident	94	Very high	52 Å²	52	47 Å²	47	34%	0.338	24%	0.241	S	C	.	.			trans	-71.5	173.6	-176.1	30.8	-36.2	0	0	0	112.5	F199	P196-F199 HydrophobicContact CG-CB 4.04Å; P196-F199 HydrophobicContact CG-CD2 3.55Å; P196-F199 HydrophobicContact CG-CE2 4.35Å; P196-F199 HydrophobicContact CG-CG 4.03Å; P196-F199 WeakPolarHBondContact O-CB 3.27Å
197	A	87.4	Confident	94	Very high	50 Å²	50	48.1 Å²	48.1	41%	0.413	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.8	138.7	166.4	0	0	0	0	0	112.4	F199 E219	A197-F199 VanDerWaalsContact C-N 3.27Å; A197-F199 PolarHBondContact O-N 2.75Å; A197-F199 VanDerWaalsContact O-N 3.16Å; A197-E219 PolarHBondContact N-OE2 2.75Å
198	R	88.3	Confident	94	Very high	123 Å²	123	48.3 Å²	48.3	46%	0.464	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	31.5	173	-68.4	-166.7	-179.9	-176.2	-2.5	116.6	F200 L221 T222 Q224 D225	R198-F200 PolarHBondContact O-N 2.8Å; R198-L221 PolarHBondContact N-O 2.91Å; R198-T222 PolarHBondContact N-O 3.2Å; R198-Q224 HydrophobicContact CG-CB 4.35Å; R198-Q224 VanDerWaalsContact CZ-OE1 3.27Å; R198-D225 WeakPolarHBondContact CB-OD2 3.46Å; R198-D225 WeakPolarHBondContact CD-OD2 3.12Å; R198-D225 VanDerWaalsContact CG-OD2 3.24Å; R198-D225 WeakPolarHBondContact CG-OD2 3.33Å
199	F	87.9	Confident	94	Very high	22 Å²	22	48.5 Å²	48.5	10%	0.096	25%	0.247	C	C	.	.			trans	-69.6	-33.1	-166.2	-173.3	-115.7	0	0	0	115.8	L170 W174 I195 P196 A197	L170-F199 HydrophobicContact CB-CE1 3.69Å; L170-F199 HydrophobicContact CB-CZ 3.49Å; L170-F199 VanDerWaalsContact CB-CZ 3.49Å; L170-F199 HydrophobicContact CD1-CE1 3.87Å; L170-F199 HydrophobicContact CG-CE1 4.44Å; L170-F199 WeakPolarHBondContact O-CZ 3.38Å; W174-F199 AromaticContact CD1-CE1 3.88Å; W174-F199 AromaticContact CD1-CZ 3.65Å; W174-F199 AromaticContact NE1-CE1 3.39Å; W174-F199 AromaticContact NE1-CZ 3.69Å; I195-F199 HydrophobicContact CG2-CB 3.76Å; I195-F199 HydrophobicContact CG2-CD1 3.89Å; I195-F199 HydrophobicContact CG2-CG 4.08Å; P196-F199 HydrophobicContact CG-CB 4.04Å; P196-F199 HydrophobicContact CG-CD2 3.55Å; P196-F199 HydrophobicContact CG-CE2 4.35Å; P196-F199 HydrophobicContact CG-CG 4.03Å; P196-F199 WeakPolarHBondContact O-CB 3.27Å; A197-F199 VanDerWaalsContact C-N 3.27Å; A197-F199 PolarHBondContact O-N 2.75Å; A197-F199 VanDerWaalsContact O-N 3.16Å
200	F	90.1	Very high	94	Very high	2 Å²	2	45 Å²	45	1%	0.009	23%	0.231	C	C	.	.			trans	-90.5	-42.7	-166	-70.5	-79.1	0	0	0	115.1	W174 S175 L185 L187 I195 R198 L202 L208 L210 F223 L226	W174-F200 HydrophobicContact CZ2-CD1 4.18Å; W174-F200 HydrophobicContact CZ2-CE1 4.23Å; S175-F200 WeakPolarHBondContact CB-O 3.4Å; S175-F200 PolarHBondContact OG-O 2.8Å; L185-F200 HydrophobicContact CD2-CD1 4.25Å; L185-F200 HydrophobicContact CD2-CE1 4.25Å; L187-F200 HydrophobicContact CD1-CE1 4.36Å; I195-F200 HydrophobicContact CD1-CE2 4.38Å; I195-F200 HydrophobicContact CD1-CZ 4.27Å; I195-F200 HydrophobicContact CG2-CD2 4.5Å; I195-F200 HydrophobicContact CG2-CE2 3.69Å; I195-F200 HydrophobicContact CG2-CZ 4.19Å; R198-F200 PolarHBondContact O-N 2.8Å; F200-L202 VanDerWaalsContact C-N 3.3Å; F200-L202 HydrophobicContact CB-CD1 4.43Å; F200-L202 WeakPolarHBondContact O-CG 3.23Å; F200-L202 PolarHBondContact O-N 2.96Å; F200-L208 HydrophobicContact CD2-CD2 4.26Å; F200-L208 HydrophobicContact CE1-CD1 4.39Å; F200-L208 HydrophobicContact CE1-CD2 4.45Å; F200-L208 HydrophobicContact CE2-CD2 3.99Å; F200-L208 HydrophobicContact CZ-CD2 4.1Å; F200-L210 HydrophobicContact CE2-CD1 4.31Å; F200-L210 HydrophobicContact CZ-CD1 4Å; F200-L210 HydrophobicContact CZ-CD2 4.24Å; F200-F223 HydrophobicContact CD2-CD1 4.21Å; F200-F223 HydrophobicContact CD2-CE1 4.37Å; F200-F223 HydrophobicContact CE2-CD1 4.14Å; F200-F223 AromaticContact CE2-CE1 3.84Å; F200-F223 HydrophobicContact CE2-CE1 3.84Å; F200-L226 HydrophobicContact CB-CD1 4.16Å; F200-L226 HydrophobicContact CB-CD2 3.82Å; F200-L226 HydrophobicContact CB-CG 4.3Å; F200-L226 HydrophobicContact CD2-CD1 4.14Å; F200-L226 HydrophobicContact CG-CD1 4.36Å
201	Q	91.3	Very high	94	Very high	94 Å²	94	44.9 Å²	44.9	44%	0.439	23%	0.231	S	C	.	.			trans	54	39.5	179.7	-54.6	-179.4	-7.9	0	0	114.4	A179 P203	A179-Q201 VanDerWaalsContact CB-O 3.26Å; A179-Q201 WeakPolarHBondContact CB-O 3.27Å; Q201-P203 VanDerWaalsContact O-CD 3.24Å; Q201-P203 WeakPolarHBondContact O-CD 3.29Å
202	L	95.3	Very high	94.1	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.226	C	C	.	.			trans	-112.4	81.2	-178.5	-64.9	168	0	0	0	110.5	L178 A179 L182 L185 F200 N204 L205 L226	L178-L202 HydrophobicContact CB-CD2 4.39Å; A179-L202 HydrophobicContact CB-CD2 4.4Å; L182-L202 HydrophobicContact CB-CD2 4.23Å; L182-L202 HydrophobicContact CD2-CD1 3.94Å; L182-L202 HydrophobicContact CD2-CD2 4.19Å; L185-L202 HydrophobicContact CD2-CD1 3.91Å; F200-L202 VanDerWaalsContact C-N 3.3Å; F200-L202 HydrophobicContact CB-CD1 4.43Å; F200-L202 WeakPolarHBondContact O-CG 3.23Å; F200-L202 PolarHBondContact O-N 2.96Å; L202-N204 PolarHBondContact O-N 2.89Å; L202-N204 VanDerWaalsContact O-N 3.09Å; L202-L205 HydrophobicContact CB-CB 3.85Å; L202-L205 HydrophobicContact CB-CD2 4.38Å; L202-L205 HydrophobicContact CD1-CD1 4.3Å; L202-L205 HydrophobicContact CD1-CD2 3.98Å; L202-L205 WeakPolarHBondContact O-CB 3.23Å; L202-L205 PolarHBondContact O-N 2.66Å; L202-L205 VanDerWaalsContact O-N 3.1Å; L202-L226 HydrophobicContact CB-CD2 3.72Å; L202-L226 VanDerWaalsContact O-CD2 3.29Å; L202-L226 WeakPolarHBondContact O-CD2 3.5Å
203	P	95.7	Very high	94.1	Very high	57 Å²	57	43.8 Å²	43.8	37%	0.37	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.5	-169.1	25.1	-36.1	0	0	0	115.2	A179 Q201 T228	A179-P203 WeakPolarHBondContact O-CD 3.4Å; Q201-P203 VanDerWaalsContact O-CD 3.24Å; Q201-P203 WeakPolarHBondContact O-CD 3.29Å; P203-T228 WeakPolarHBondContact O-CG2 3.42Å; P203-T228 PolarHBondContact O-OG1 3.3Å
204	N	96.5	Very high	94.3	Very high	70 Å²	70	43.6 Å²	43.6	37%	0.374	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	4.8	179.9	-71	-30.4	0	0	0	114	S180 L182 L202 Q206 T228	S180-N204 PolarHBondContact O-ND2 2.95Å; L182-N204 CarbonylContact O-C 3.47Å; L182-N204 VanDerWaalsContact O-C 3.28Å; L202-N204 PolarHBondContact O-N 2.89Å; L202-N204 VanDerWaalsContact O-N 3.09Å; N204-Q206 PolarHBondContact O-N 3.08Å; N204-T228 WeakPolarHBondContact CA-OG1 3.26Å; N204-T228 PolarHBondContact O-OG1 2.85Å
205	L	98	Very high	94.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.194	C	C	.	.			trans	-71.3	127.3	-178	-165	72.1	0	0	0	111.1	L182 L185 L202 L208 L226 T228 L229	L182-L205 HydrophobicContact CG-CD1 4.26Å; L182-L205 WeakPolarHBondContact O-CA 3.39Å; L182-L205 PolarHBondContact O-N 2.81Å; L185-L205 HydrophobicContact CB-CD1 3.78Å; L185-L205 HydrophobicContact CB-CD2 4.39Å; L202-L205 HydrophobicContact CB-CB 3.85Å; L202-L205 HydrophobicContact CB-CD2 4.38Å; L202-L205 HydrophobicContact CD1-CD1 4.3Å; L202-L205 HydrophobicContact CD1-CD2 3.98Å; L202-L205 WeakPolarHBondContact O-CB 3.23Å; L202-L205 PolarHBondContact O-N 2.66Å; L202-L205 VanDerWaalsContact O-N 3.1Å; L205-L208 HydrophobicContact CD2-CB 3.99Å; L205-L208 HydrophobicContact CD2-CD1 4.39Å; L205-L208 HydrophobicContact CD2-CD2 4.27Å; L205-L208 HydrophobicContact CD2-CG 4.45Å; L205-L226 HydrophobicContact CB-CD2 4.19Å; L205-L226 HydrophobicContact CD2-CD1 4.47Å; L205-L226 HydrophobicContact CD2-CD2 4.06Å; L205-T228 PolarHBondContact N-OG1 2.73Å; L205-T228 CarbonylContact O-C 3.26Å; L205-T228 PolarHBondContact O-OG1 2.93Å; L205-L229 HydrophobicContact CB-CD1 4.38Å; L205-L229 HydrophobicContact CD2-CD1 3.97Å; L205-L229 HydrophobicContact CG-CD1 3.95Å; L205-L229 WeakPolarHBondContact O-CA 3.48Å; L205-L229 PolarHBondContact O-N 2.75Å; L205-L229 VanDerWaalsContact O-N 3.12Å
206	Q	97.9	Very high	94.9	Very high	67 Å²	67	46.6 Å²	46.6	31%	0.313	22%	0.222	S	C	.	.			trans	-106.4	-30.3	-179.6	-61	-178.7	34.9	0	0	112	Q183 N204 R230 S231	Q183-Q206 PolarHBondContact O-N 2.7Å; N204-Q206 PolarHBondContact O-N 3.08Å; Q206-R230 PolarHBondContact O-N 3.24Å; Q206-S231 PolarHBondContact O-N 3.37Å; Q206-S231 VanDerWaalsContact O-N 3.11Å
207	H	98.4	Very high	95.2	Very high	77 Å²	77	51.9 Å²	51.9	36%	0.356	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128.4	-177.9	-56.9	-36	0	0	0	112.2	Q183 I184 L185	Q183-H207 PolarHBondContact O-N 3.35Å; Q183-H207 VanDerWaalsContact O-N 3.1Å; I184-H207 HydrophobicContact CG1-CB 4.38Å; I184-H207 HydrophobicContact CG2-CB 4.4Å; L185-H207 PolarHBondContact N-O 2.91Å
208	L	98.5	Very high	95.5	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.3	179	179.5	51.5	0	0	0	111.2	L185 F200 L205 L210 F223 L226 L229 S231 L232 K233	L185-L208 HydrophobicContact CB-CD1 4.19Å; L185-L208 HydrophobicContact CD2-CD1 3.87Å; L185-L208 HydrophobicContact CG-CD1 3.94Å; L185-L208 WeakPolarHBondContact O-CA 3.44Å; F200-L208 HydrophobicContact CD2-CD2 4.26Å; F200-L208 HydrophobicContact CE1-CD1 4.39Å; F200-L208 HydrophobicContact CE1-CD2 4.45Å; F200-L208 HydrophobicContact CE2-CD2 3.99Å; F200-L208 HydrophobicContact CZ-CD2 4.1Å; L205-L208 HydrophobicContact CD2-CB 3.99Å; L205-L208 HydrophobicContact CD2-CD1 4.39Å; L205-L208 HydrophobicContact CD2-CD2 4.27Å; L205-L208 HydrophobicContact CD2-CG 4.45Å; L208-L210 HydrophobicContact CD1-CD1 4.25Å; L208-L210 HydrophobicContact CD1-CG 4.03Å; L208-L210 HydrophobicContact CD2-CD1 3.91Å; L208-L210 HydrophobicContact CG-CD1 3.93Å; L208-L210 HydrophobicContact CG-CG 4.08Å; L208-F223 HydrophobicContact CD2-CD1 4.3Å; L208-F223 HydrophobicContact CD2-CE1 4.08Å; L208-L226 HydrophobicContact CD2-CD1 3.97Å; L208-L229 HydrophobicContact CB-CD1 3.82Å; L208-L229 HydrophobicContact CB-CD2 4.4Å; L208-S231 PolarHBondContact N-O 3Å; L208-L232 HydrophobicContact CB-CD1 4.15Å; L208-L232 HydrophobicContact CD2-CD1 3.98Å; L208-L232 HydrophobicContact CG-CD1 3.97Å; L208-K233 PolarHBondContact O-N 3.41Å
209	D	98.7	Very high	95.5	Very high	13 Å²	13	47.2 Å²	47.2	7%	0.07	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	105.6	175.6	-159	-32.2	0	0	0	112.4	L185 E186 L187 S188 S211 K233	L185-D209 PolarHBondContact O-N 2.92Å; E186-D209 HydrophobicContact CB-CB 4.11Å; E186-D209 HydrophobicContact CG-CB 4.04Å; L187-D209 CarbonylContact C-O 3.54Å; L187-D209 WeakPolarHBondContact CA-O 3.42Å; L187-D209 PolarHBondContact N-O 3.47Å; S188-D209 WeakPolarHBondContact CB-OD1 3.29Å; S188-D209 PolarHBondContact N-O 2.99Å; D209-S211 VanDerWaalsContact OD1-CB 3.23Å; D209-S211 WeakPolarHBondContact OD1-CB 3.32Å; D209-S211 PolarHBondContact OD1-N 3.4Å; D209-S211 PolarHBondContact OD1-OG 2.8Å; D209-K233 HydrophobicContact CB-CB 4.48Å; D209-K233 HydrophobicContact CB-CD 3.89Å; D209-K233 WeakPolarHBondContact OD2-CD 3.37Å; D209-K233 WeakPolarHBondContact OD2-CE 3.48Å; D209-K233 IonicContact OD2-NZ 3.89Å; D209-K233 PolarHBondContact OD2-NZ 2.92Å
210	L	98.3	Very high	95.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.217	C	C	.	.			trans	-111.6	13.7	175.3	-70.1	162.7	0	0	0	111.7	L187 I192 I195 F200 L208 N213 I215 F223 L232 K233 L234 N237	L187-L210 HydrophobicContact CB-CD2 4.04Å; L187-L210 HydrophobicContact CD1-CD2 3.98Å; I192-L210 HydrophobicContact CD1-CD2 4.17Å; I195-L210 HydrophobicContact CD1-CD1 3.6Å; I195-L210 HydrophobicContact CD1-CD2 4.06Å; I195-L210 HydrophobicContact CD1-CG 4.42Å; F200-L210 HydrophobicContact CE2-CD1 4.31Å; F200-L210 HydrophobicContact CZ-CD1 4Å; F200-L210 HydrophobicContact CZ-CD2 4.24Å; L208-L210 HydrophobicContact CD1-CD1 4.25Å; L208-L210 HydrophobicContact CD1-CG 4.03Å; L208-L210 HydrophobicContact CD2-CD1 3.91Å; L208-L210 HydrophobicContact CG-CD1 3.93Å; L208-L210 HydrophobicContact CG-CG 4.08Å; L210-N213 PolarHBondContact O-ND2 3.3Å; L210-I215 HydrophobicContact CB-CD1 4.22Å; L210-F223 HydrophobicContact CD1-CE1 4.01Å; L210-F223 HydrophobicContact CD1-CZ 4.3Å; L210-L232 HydrophobicContact CD1-CD1 4.29Å; L210-K233 CarbonylContact C-O 3.27Å; L210-K233 WeakPolarHBondContact CA-O 3.42Å; L210-K233 WeakPolarHBondContact CB-O 3.15Å; L210-K233 PolarHBondContact N-O 3.23Å; L210-L234 HydrophobicContact CB-CD2 3.8Å; L210-L234 HydrophobicContact CD1-CD2 4.07Å; L210-N237 PolarHBondContact O-ND2 3.16Å
211	S	98.5	Very high	95.5	Very high	6 Å²	6	50.3 Å²	50.3	4%	0.042	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	152.5	-175.3	68.7	0	0	0	0	112.6	S188 H189 D209 N213 K233 Q235	S188-S211 CarbonylContact C-O 3.36Å; S188-S211 WeakPolarHBondContact CA-O 3.26Å; S188-S211 WeakPolarHBondContact CB-O 3.46Å; S188-S211 WeakPolarHBondContact CB-OG 3.49Å; H189-S211 PolarHBondContact N-O 2.8Å; D209-S211 VanDerWaalsContact OD1-CB 3.23Å; D209-S211 WeakPolarHBondContact OD1-CB 3.32Å; D209-S211 PolarHBondContact OD1-N 3.4Å; D209-S211 PolarHBondContact OD1-OG 2.8Å; S211-N213 VanDerWaalsContact C-N 3.3Å; S211-N213 PolarHBondContact O-N 2.59Å; S211-N213 PolarHBondContact O-ND2 2.91Å; S211-K233 PolarHBondContact N-O 3.43Å; S211-Q235 CarbonylContact C-O 3.49Å; S211-Q235 VanDerWaalsContact CA-O 3.22Å; S211-Q235 WeakPolarHBondContact CA-O 3.34Å; S211-Q235 VanDerWaalsContact CB-O 3.3Å; S211-Q235 WeakPolarHBondContact CB-O 3.31Å
212	R	98.4	Very high	95.6	Very high	105 Å²	105	45.9 Å²	45.9	40%	0.396	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	39.3	178.4	-56.4	166.4	178.4	-131.9	1.6	113.7	H189 Q235 R236	H189-R212 WeakPolarHBondContact CA-O 3.44Å; H189-R212 VanDerWaalsContact CD2-CD 3.42Å; H189-R212 WeakPolarHBondContact CD2-CD 3.32Å; H189-R212 WeakPolarHBondContact CE1-CD 3.42Å; H189-R212 WeakPolarHBondContact NE2-CD 3.36Å; H189-R212 PolarHBondContact NE2-NE 3.07Å; H189-R212 PolarHBondContact NE2-NH1 2.84Å; R212-Q235 PolarHBondContact N-O 3.3Å; R212-R236 WeakPolarHBondContact CA-O 3.3Å; R212-R236 HydrophobicContact CB-CB 4.35Å; R212-R236 HydrophobicContact CG-CB 3.54Å; R212-R236 HydrophobicContact CG-CG 4.26Å
213	N	98.4	Very high	95.5	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	21%	0.212	C	C	.	.	S	Bend	trans	-101.1	-160.3	168.6	-85.5	-78.5	0	0	0	109.9	L187 N190 R191 I192 L210 S211 I215 N237	L187-N213 PolarHBondContact O-ND2 3.44Å; N190-N213 VanDerWaalsContact CA-OD1 3.26Å; N190-N213 WeakPolarHBondContact CA-OD1 3.43Å; N190-N213 WeakPolarHBondContact CB-OD1 3.3Å; N190-N213 PolarHBondContact N-OD1 3.01Å; N190-N213 PolarHBondContact O-OD1 2.94Å; R191-N213 PolarHBondContact N-OD1 2.73Å; I192-N213 HydrophobicContact CB-CB 4.24Å; I192-N213 WeakPolarHBondContact CB-OD1 3.34Å; I192-N213 WeakPolarHBondContact CG1-OD1 3.46Å; I192-N213 PolarHBondContact N-OD1 3.05Å; L210-N213 PolarHBondContact O-ND2 3.3Å; S211-N213 VanDerWaalsContact C-N 3.3Å; S211-N213 PolarHBondContact O-N 2.59Å; S211-N213 PolarHBondContact O-ND2 2.91Å; N213-I215 HydrophobicContact CB-CD1 4.22Å; N213-I215 HydrophobicContact CB-CG1 4.12Å; N213-N237 VanDerWaalsContact CA-OD1 3.25Å; N213-N237 WeakPolarHBondContact CA-OD1 3.38Å; N213-N237 WeakPolarHBondContact CB-OD1 3.49Å; N213-N237 PolarHBondContact N-OD1 3.06Å; N213-N237 PolarHBondContact O-OD1 2.78Å
214	Q	97.1	Very high	95.3	Very high	64 Å²	64	45.3 Å²	45.3	30%	0.299	21%	0.205	S	C	.	.			trans	-119.4	19.7	-178.4	-56.8	-169.1	46.4	0	0	112.7	I192 R216 N237	I192-Q214 CarbonylContact O-C 3.53Å; I192-Q214 WeakPolarHBondContact O-CA 3.21Å; I192-Q214 PolarHBondContact O-N 2.88Å; Q214-R216 PolarHBondContact O-N 3.46Å; Q214-N237 PolarHBondContact N-OD1 3.21Å
215	I	96.3	Very high	95.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	20%	0.199	C	C	.	.			trans	-63.3	128.5	-175.1	-52.1	163.8	0	0	0	109.2	I192 I195 L210 N213 R217 L234 N237 R238 L239	I192-I215 HydrophobicContact CG2-CG1 4.41Å; I192-I215 PolarHBondContact O-N 2.71Å; I195-I215 HydrophobicContact CD1-CD1 3.65Å; I195-I215 HydrophobicContact CD1-CG1 4.4Å; I195-I215 HydrophobicContact CG1-CD1 4.32Å; L210-I215 HydrophobicContact CB-CD1 4.22Å; N213-I215 HydrophobicContact CB-CD1 4.22Å; N213-I215 HydrophobicContact CB-CG1 4.12Å; I215-R217 VanDerWaalsContact CG2-O 3.29Å; I215-R217 WeakPolarHBondContact CG2-O 3.24Å; I215-L234 HydrophobicContact CD1-CD2 3.85Å; I215-N237 HydrophobicContact CB-CB 4.34Å; I215-N237 WeakPolarHBondContact CB-OD1 3.25Å; I215-N237 WeakPolarHBondContact CG1-OD1 3.34Å; I215-N237 PolarHBondContact N-OD1 3Å; I215-N237 VanDerWaalsContact N-OD1 3.08Å; I215-R238 CarbonylContact O-C 3.51Å; I215-R238 WeakPolarHBondContact O-CA 3.39Å; I215-R238 PolarHBondContact O-N 2.92Å; I215-L239 HydrophobicContact CB-CD2 4.24Å; I215-L239 HydrophobicContact CG2-CD2 3.74Å; I215-L239 PolarHBondContact O-N 2.93Å
216	R	94.4	Very high	95	Very high	163 Å²	163	44.2 Å²	44.2	62%	0.615	20%	0.199	S	C	*	.			trans	-102.4	-27	-175.9	-59.6	-169.8	-171.3	-161.5	4.6	114.9	Q214 R238 L239 S240	Q214-R216 PolarHBondContact O-N 3.46Å; R216-R238 WeakPolarHBondContact CA-O 3.41Å; R216-R238 HydrophobicContact CG-CB 4.37Å; R216-L239 WeakPolarHBondContact O-CA 3.28Å; R216-S240 PolarHBondContact O-N 2.74Å
217	R	93.2	Very high	94.8	Very high	163 Å²	163	43.6 Å²	43.6	62%	0.615	20%	0.201	S	C	*	.			trans	-147.4	160.2	-178.3	-66.3	-178.5	179.3	154.1	-2.5	109.4	I215 G241	I215-R217 VanDerWaalsContact CG2-O 3.29Å; I215-R217 WeakPolarHBondContact CG2-O 3.24Å; R217-G241 WeakPolarHBondContact CA-O 3.29Å
218	V	94.3	Very high	94.7	Very high	3 Å²	3	42 Å²	42	2%	0.018	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-120.6	131.3	163.6	-177.3	0	0	0	0	107	T222 F223 L239 L242 M243 A246	V218-T222 HydrophobicContact CG1-CG2 4.07Å; V218-F223 HydrophobicContact CG1-CD2 4.2Å; V218-F223 HydrophobicContact CG1-CE2 3.65Å; V218-F223 HydrophobicContact CG2-CE2 4.47Å; V218-L239 HydrophobicContact CG2-CD2 4Å; V218-L242 HydrophobicContact CB-CD2 3.75Å; V218-L242 HydrophobicContact CG2-CD2 3.64Å; V218-M243 PolarHBondContact O-N 2.94Å; V218-M243 VanDerWaalsContact O-N 3.13Å; V218-A246 HydrophobicContact CB-CB 4.12Å; V218-A246 HydrophobicContact CG1-CB 3.77Å
219	E	89	Confident	94.7	Very high	73 Å²	73	41.9 Å²	41.9	34%	0.341	20%	0.196	S	C	.	.			trans	-85.6	160.9	179.3	-61.6	-178	153.7	0	0	110.4	A197 L221 T222 M243 A246	A197-E219 PolarHBondContact N-OE2 2.75Å; E219-L221 PolarHBondContact O-N 2.99Å; E219-T222 PolarHBondContact N-OG1 3.21Å; E219-T222 PolarHBondContact O-N 3.16Å; E219-T222 PolarHBondContact O-OG1 3.1Å; E219-T222 VanDerWaalsContact O-OG1 3.06Å; E219-M243 HydrophobicContact CB-SD 4.19Å; E219-M243 HydrophobicContact CG-CE 4.46Å; E219-M243 HydrophobicContact CG-SD 4.33Å; E219-A246 WeakPolarHBondContact O-CA 3.33Å
220	G	89.2	Confident	94.6	Very high	22 Å²	22	46.6 Å²	46.6	23%	0.227	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	138.1	170.9	0	0	0	0	0	110.4	T222	G220-T222 VanDerWaalsContact C-N 3.26Å; G220-T222 PolarHBondContact O-N 3.03Å
221	L	88.9	Confident	94.7	Very high	67 Å²	67	47.5 Å²	47.5	35%	0.351	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	12.2	178.5	-42.3	176.2	0	0	0	116.1	R198 E219 F223 Q224 G245 F248	R198-L221 PolarHBondContact N-O 2.91Å; E219-L221 PolarHBondContact O-N 2.99Å; L221-F223 PolarHBondContact O-N 3.19Å; L221-F223 VanDerWaalsContact O-N 3.11Å; L221-Q224 HydrophobicContact CB-CB 4.2Å; L221-Q224 PolarHBondContact O-N 3Å; L221-G245 PolarHBondContact N-O 3.08Å; L221-G245 VanDerWaalsContact N-O 3.09Å; L221-F248 HydrophobicContact CD2-CB 4.19Å; L221-F248 HydrophobicContact CD2-CD1 3.55Å; L221-F248 HydrophobicContact CD2-CE1 4.38Å; L221-F248 HydrophobicContact CD2-CG 4.24Å
222	T	91.9	Very high	94.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-38.5	175.4	-71.8	0	0	0	0	113.1	I195 R198 V218 E219 G220	I195-T222 HydrophobicContact CB-CG2 4.06Å; I195-T222 HydrophobicContact CG2-CG2 3.57Å; I195-T222 PolarHBondContact O-OG1 3.41Å; R198-T222 PolarHBondContact N-O 3.2Å; V218-T222 HydrophobicContact CG1-CG2 4.07Å; E219-T222 PolarHBondContact N-OG1 3.21Å; E219-T222 PolarHBondContact O-N 3.16Å; E219-T222 PolarHBondContact O-OG1 3.1Å; E219-T222 VanDerWaalsContact O-OG1 3.06Å; G220-T222 VanDerWaalsContact C-N 3.26Å; G220-T222 PolarHBondContact O-N 3.03Å
223	F	94.3	Very high	94.7	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	15.3	-174.6	-56.9	-74.4	0	0	0	114.7	F200 L208 L210 V218 L221 D225 L226 L232 L234 F247 L250	F200-F223 HydrophobicContact CD2-CD1 4.21Å; F200-F223 HydrophobicContact CD2-CE1 4.37Å; F200-F223 HydrophobicContact CE2-CD1 4.14Å; F200-F223 AromaticContact CE2-CE1 3.84Å; F200-F223 HydrophobicContact CE2-CE1 3.84Å; L208-F223 HydrophobicContact CD2-CD1 4.3Å; L208-F223 HydrophobicContact CD2-CE1 4.08Å; L210-F223 HydrophobicContact CD1-CE1 4.01Å; L210-F223 HydrophobicContact CD1-CZ 4.3Å; V218-F223 HydrophobicContact CG1-CD2 4.2Å; V218-F223 HydrophobicContact CG1-CE2 3.65Å; V218-F223 HydrophobicContact CG2-CE2 4.47Å; L221-F223 PolarHBondContact O-N 3.19Å; L221-F223 VanDerWaalsContact O-N 3.11Å; F223-D225 VanDerWaalsContact C-N 3.29Å; F223-D225 PolarHBondContact O-N 2.64Å; F223-L226 HydrophobicContact CB-CD1 4.27Å; F223-L226 HydrophobicContact CD1-CD1 3.95Å; F223-L226 PolarHBondContact O-N 2.77Å; F223-L232 HydrophobicContact CD1-CD2 4.37Å; F223-L232 HydrophobicContact CD2-CD2 4.02Å; F223-L232 HydrophobicContact CE1-CD1 4.03Å; F223-L232 HydrophobicContact CE1-CD2 4.18Å; F223-L232 HydrophobicContact CE2-CD2 3.81Å; F223-L232 HydrophobicContact CG-CD2 4.29Å; F223-L232 HydrophobicContact CZ-CD1 4.18Å; F223-L232 HydrophobicContact CZ-CD2 3.9Å; F223-L234 HydrophobicContact CE2-CD1 4.3Å; F223-L234 HydrophobicContact CZ-CD1 4.16Å; F223-F247 AromaticContact CD2-CD1 3.82Å; F223-F247 HydrophobicContact CD2-CD1 3.82Å; F223-F247 HydrophobicContact CD2-CE1 4.14Å; F223-F247 AromaticContact CE2-CD1 3.99Å; F223-F247 HydrophobicContact CE2-CD1 3.99Å; F223-F247 AromaticContact CE2-CE1 3.81Å; F223-F247 HydrophobicContact CE2-CE1 3.81Å; F223-L250 HydrophobicContact CB-CD1 3.74Å; F223-L250 HydrophobicContact CB-CD2 3.87Å; F223-L250 HydrophobicContact CB-CG 3.95Å; F223-L250 HydrophobicContact CD2-CD1 4.44Å; F223-L250 HydrophobicContact CG-CD1 4.24Å; F223-L250 WeakPolarHBondContact O-CD2 3.25Å
224	Q	91.8	Very high	94.7	Very high	44 Å²	44	44.4 Å²	44.4	21%	0.206	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-38	-170.5	-178.4	172	21.5	0	0	114.1	R198 L221 L226 F248	R198-Q224 HydrophobicContact CG-CB 4.35Å; R198-Q224 VanDerWaalsContact CZ-OE1 3.27Å; L221-Q224 HydrophobicContact CB-CB 4.2Å; L221-Q224 PolarHBondContact O-N 3Å; Q224-L226 PolarHBondContact O-N 3.4Å; Q224-L226 VanDerWaalsContact O-N 3.16Å; Q224-F248 WeakPolarHBondContact CA-O 3.18Å
225	D	91.1	Very high	94.7	Very high	47 Å²	47	42.8 Å²	42.8	25%	0.251	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	28.9	-173.6	-50.6	-48.8	0	0	0	113.3	R198 F223	R198-D225 WeakPolarHBondContact CB-OD2 3.46Å; R198-D225 WeakPolarHBondContact CD-OD2 3.12Å; R198-D225 VanDerWaalsContact CG-OD2 3.24Å; R198-D225 WeakPolarHBondContact CG-OD2 3.33Å; F223-D225 VanDerWaalsContact C-N 3.29Å; F223-D225 PolarHBondContact O-N 2.64Å
226	L	95.6	Very high	94.8	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	22%	0.219	C	C	.	.			trans	-123.8	53.4	179.2	-57.1	179	0	0	0	112.4	F200 L202 L205 L208 F223 Q224 T228 L229 L250	F200-L226 HydrophobicContact CB-CD1 4.16Å; F200-L226 HydrophobicContact CB-CD2 3.82Å; F200-L226 HydrophobicContact CB-CG 4.3Å; F200-L226 HydrophobicContact CD2-CD1 4.14Å; F200-L226 HydrophobicContact CG-CD1 4.36Å; L202-L226 HydrophobicContact CB-CD2 3.72Å; L202-L226 VanDerWaalsContact O-CD2 3.29Å; L202-L226 WeakPolarHBondContact O-CD2 3.5Å; L205-L226 HydrophobicContact CB-CD2 4.19Å; L205-L226 HydrophobicContact CD2-CD1 4.47Å; L205-L226 HydrophobicContact CD2-CD2 4.06Å; L208-L226 HydrophobicContact CD2-CD1 3.97Å; F223-L226 HydrophobicContact CB-CD1 4.27Å; F223-L226 HydrophobicContact CD1-CD1 3.95Å; F223-L226 PolarHBondContact O-N 2.77Å; Q224-L226 PolarHBondContact O-N 3.4Å; Q224-L226 VanDerWaalsContact O-N 3.16Å; L226-T228 VanDerWaalsContact C-N 3.28Å; L226-T228 PolarHBondContact O-N 3.4Å; L226-L229 HydrophobicContact CB-CB 4.05Å; L226-L229 HydrophobicContact CB-CD2 4.29Å; L226-L229 HydrophobicContact CD1-CD2 3.99Å; L226-L229 VanDerWaalsContact O-CB 3.22Å; L226-L229 WeakPolarHBondContact O-CB 3.29Å; L226-L229 PolarHBondContact O-N 3.24Å; L226-L229 VanDerWaalsContact O-N 3.12Å; L226-L250 HydrophobicContact CB-CD2 3.85Å; L226-L250 WeakPolarHBondContact O-CD2 3.33Å
227	P	94.2	Very high	95	Very high	54 Å²	54	40.7 Å²	40.7	35%	0.351	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23	-170.3	26.6	-37.4	0	0	0	115.2	N252	P227-N252 PolarHBondContact O-ND2 3.11Å
228	T	96.5	Very high	95.1	Very high	44 Å²	44	39.1 Å²	39.1	27%	0.27	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.9	177.9	55.4	0	0	0	0	114.3	P203 N204 L205 L226 R230	P203-T228 WeakPolarHBondContact O-CG2 3.42Å; P203-T228 PolarHBondContact O-OG1 3.3Å; N204-T228 WeakPolarHBondContact CA-OG1 3.26Å; N204-T228 PolarHBondContact O-OG1 2.85Å; L205-T228 PolarHBondContact N-OG1 2.73Å; L205-T228 CarbonylContact O-C 3.26Å; L205-T228 PolarHBondContact O-OG1 2.93Å; L226-T228 VanDerWaalsContact C-N 3.28Å; L226-T228 PolarHBondContact O-N 3.4Å; T228-R230 PolarHBondContact O-N 3.35Å
229	L	98.1	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.			trans	-72.7	114.5	-169.5	-167.6	75.8	0	0	0	111.7	L205 L208 L226 L232 L250 N252 M253	L205-L229 HydrophobicContact CB-CD1 4.38Å; L205-L229 HydrophobicContact CD2-CD1 3.97Å; L205-L229 HydrophobicContact CG-CD1 3.95Å; L205-L229 WeakPolarHBondContact O-CA 3.48Å; L205-L229 PolarHBondContact O-N 2.75Å; L205-L229 VanDerWaalsContact O-N 3.12Å; L208-L229 HydrophobicContact CB-CD1 3.82Å; L208-L229 HydrophobicContact CB-CD2 4.4Å; L226-L229 HydrophobicContact CB-CB 4.05Å; L226-L229 HydrophobicContact CB-CD2 4.29Å; L226-L229 HydrophobicContact CD1-CD2 3.99Å; L226-L229 VanDerWaalsContact O-CB 3.22Å; L226-L229 WeakPolarHBondContact O-CB 3.29Å; L226-L229 PolarHBondContact O-N 3.24Å; L226-L229 VanDerWaalsContact O-N 3.12Å; L229-L232 HydrophobicContact CD2-CB 4.15Å; L229-L250 HydrophobicContact CB-CD2 4.1Å; L229-L250 HydrophobicContact CD2-CD1 4.31Å; L229-L250 HydrophobicContact CD2-CD2 3.89Å; L229-N252 CarbonylContact O-C 3.52Å; L229-M253 HydrophobicContact CB-CE 4.26Å; L229-M253 HydrophobicContact CD2-CE 3.63Å; L229-M253 HydrophobicContact CG-CE 3.77Å; L229-M253 VanDerWaalsContact O-CA 3.26Å; L229-M253 WeakPolarHBondContact O-CA 3.35Å; L229-M253 PolarHBondContact O-N 3.28Å
230	R	98.3	Very high	95.4	Very high	112 Å²	112	38.3 Å²	38.3	42%	0.423	19%	0.189	S	C	.	.			trans	-95	-26.7	179.3	-66.1	-179.5	-172	-117.5	6	113.6	Q206 T228 M253 E254 V255	Q206-R230 PolarHBondContact O-N 3.24Å; T228-R230 PolarHBondContact O-N 3.35Å; R230-M253 VanDerWaalsContact C-SD 3.57Å; R230-E254 HydrophobicContact CB-CB 4.5Å; R230-E254 HydrophobicContact CB-CG 4.23Å; R230-E254 HydrophobicContact CG-CG 4.34Å; R230-E254 IonicContact CZ-OE1 3.92Å; R230-E254 IonicContact NE-OE1 2.73Å; R230-E254 IonicContact NH1-OE1 3.72Å; R230-E254 PolarHBondContact NH1-OE1 3.04Å; R230-E254 WeakPolarHBondContact O-CA 3.21Å; R230-E254 WeakPolarHBondContact O-CB 3.34Å; R230-E254 PolarHBondContact O-N 3.08Å; R230-V255 PolarHBondContact O-N 3.11Å
231	S	98.5	Very high	95.3	Very high	19 Å²	19	38.7 Å²	38.7	13%	0.133	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127.1	178.8	-171.2	0	0	0	0	112.7	Q206 L208 V255	Q206-S231 PolarHBondContact O-N 3.37Å; Q206-S231 VanDerWaalsContact O-N 3.11Å; L208-S231 PolarHBondContact N-O 3Å; S231-V255 WeakPolarHBondContact CA-O 3.34Å; S231-V255 PolarHBondContact OG-O 3.09Å
232	L	98.5	Very high	95.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.8	175	175.5	58.4	0	0	0	109.9	L208 L210 F223 L229 L234 F247 L250 M253 V255 L256 Q257	L208-L232 HydrophobicContact CB-CD1 4.15Å; L208-L232 HydrophobicContact CD2-CD1 3.98Å; L208-L232 HydrophobicContact CG-CD1 3.97Å; L210-L232 HydrophobicContact CD1-CD1 4.29Å; F223-L232 HydrophobicContact CD1-CD2 4.37Å; F223-L232 HydrophobicContact CD2-CD2 4.02Å; F223-L232 HydrophobicContact CE1-CD1 4.03Å; F223-L232 HydrophobicContact CE1-CD2 4.18Å; F223-L232 HydrophobicContact CE2-CD2 3.81Å; F223-L232 HydrophobicContact CG-CD2 4.29Å; F223-L232 HydrophobicContact CZ-CD1 4.18Å; F223-L232 HydrophobicContact CZ-CD2 3.9Å; L229-L232 HydrophobicContact CD2-CB 4.15Å; L232-L234 HydrophobicContact CD1-CD1 4.33Å; L232-L234 HydrophobicContact CD1-CG 4.21Å; L232-L234 HydrophobicContact CD2-CD1 3.96Å; L232-L234 HydrophobicContact CG-CD1 4.03Å; L232-L234 HydrophobicContact CG-CG 4.24Å; L232-F247 HydrophobicContact CD2-CD1 3.86Å; L232-F247 HydrophobicContact CD2-CE1 3.79Å; L232-L250 HydrophobicContact CD2-CD1 4.03Å; L232-M253 HydrophobicContact CB-CE 3.53Å; L232-M253 HydrophobicContact CB-SD 4.16Å; L232-V255 PolarHBondContact N-O 2.87Å; L232-L256 HydrophobicContact CB-CD1 4.12Å; L232-L256 HydrophobicContact CD2-CD1 4.04Å; L232-L256 HydrophobicContact CG-CD1 4.07Å; L232-Q257 PolarHBondContact O-N 3.2Å
233	K	98.6	Very high	95.6	Very high	53 Å²	53	40.9 Å²	40.9	23%	0.23	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	118.5	179.9	-62	167.4	176.2	168.6	0	110.9	L208 D209 L210 S211 Q235 Q257	L208-K233 PolarHBondContact O-N 3.41Å; D209-K233 HydrophobicContact CB-CB 4.48Å; D209-K233 HydrophobicContact CB-CD 3.89Å; D209-K233 WeakPolarHBondContact OD2-CD 3.37Å; D209-K233 WeakPolarHBondContact OD2-CE 3.48Å; D209-K233 IonicContact OD2-NZ 3.89Å; D209-K233 PolarHBondContact OD2-NZ 2.92Å; L210-K233 CarbonylContact C-O 3.27Å; L210-K233 WeakPolarHBondContact CA-O 3.42Å; L210-K233 WeakPolarHBondContact CB-O 3.15Å; L210-K233 PolarHBondContact N-O 3.23Å; S211-K233 PolarHBondContact N-O 3.43Å; K233-Q235 VanDerWaalsContact CB-OE1 3.24Å; K233-Q257 HydrophobicContact CG-CB 4.45Å
234	L	98.3	Very high	95.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.233	C	C	.	.			trans	-129.4	8.7	-178.1	-76.9	166.7	0	0	0	112.3	L210 I215 F223 L232 N237 L239 F247 Q257 L258 N261	L210-L234 HydrophobicContact CB-CD2 3.8Å; L210-L234 HydrophobicContact CD1-CD2 4.07Å; I215-L234 HydrophobicContact CD1-CD2 3.85Å; F223-L234 HydrophobicContact CE2-CD1 4.3Å; F223-L234 HydrophobicContact CZ-CD1 4.16Å; L232-L234 HydrophobicContact CD1-CD1 4.33Å; L232-L234 HydrophobicContact CD1-CG 4.21Å; L232-L234 HydrophobicContact CD2-CD1 3.96Å; L232-L234 HydrophobicContact CG-CD1 4.03Å; L232-L234 HydrophobicContact CG-CG 4.24Å; L234-N237 WeakPolarHBondContact O-CB 3.27Å; L234-N237 PolarHBondContact O-ND2 3.42Å; L234-L239 HydrophobicContact CB-CD1 4.14Å; L234-F247 HydrophobicContact CD1-CE1 3.85Å; L234-F247 HydrophobicContact CD1-CZ 4.19Å; L234-Q257 CarbonylContact C-O 3.58Å; L234-Q257 WeakPolarHBondContact CA-O 3.39Å; L234-Q257 PolarHBondContact N-O 3.42Å; L234-L258 HydrophobicContact CB-CD2 3.84Å; L234-L258 HydrophobicContact CD1-CD2 4.05Å; L234-N261 PolarHBondContact O-ND2 3.3Å; L234-N261 VanDerWaalsContact O-ND2 3.07Å
235	Q	97.6	Very high	95.3	Very high	31 Å²	31	44.9 Å²	44.9	15%	0.145	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	153.1	-179.2	68.1	-86.8	34	0	0	113.3	S211 R212 K233 N237 Q257 G259	S211-Q235 CarbonylContact C-O 3.49Å; S211-Q235 VanDerWaalsContact CA-O 3.22Å; S211-Q235 WeakPolarHBondContact CA-O 3.34Å; S211-Q235 VanDerWaalsContact CB-O 3.3Å; S211-Q235 WeakPolarHBondContact CB-O 3.31Å; R212-Q235 PolarHBondContact N-O 3.3Å; K233-Q235 VanDerWaalsContact CB-OE1 3.24Å; Q235-N237 VanDerWaalsContact C-N 3.25Å; Q235-N237 PolarHBondContact O-N 2.82Å; Q235-Q257 PolarHBondContact N-O 3.27Å; Q235-Q257 VanDerWaalsContact N-O 3.13Å; Q235-Q257 VanDerWaalsContact OE1-CB 3.32Å; Q235-G259 CarbonylContact C-O 3.58Å; Q235-G259 WeakPolarHBondContact CA-O 3.25Å; Q235-G259 WeakPolarHBondContact CB-O 3.06Å
236	R	98.3	Very high	95.4	Very high	107 Å²	107	42.6 Å²	42.6	40%	0.404	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	30.4	-179.6	-62.8	179.3	178.5	-140.7	-5.7	114	R212 G259 F260	R212-R236 WeakPolarHBondContact CA-O 3.3Å; R212-R236 HydrophobicContact CB-CB 4.35Å; R212-R236 HydrophobicContact CG-CB 3.54Å; R212-R236 HydrophobicContact CG-CG 4.26Å; R236-G259 PolarHBondContact N-O 3.11Å; R236-F260 WeakPolarHBondContact CA-O 3.36Å; R236-F260 HydrophobicContact CB-CB 4.23Å; R236-F260 HydrophobicContact CG-CB 3.37Å; R236-F260 HydrophobicContact CG-CD1 4.45Å; R236-F260 HydrophobicContact CG-CD2 4.04Å; R236-F260 HydrophobicContact CG-CG 3.73Å; R236-F260 PolarHBondContact N-O 2.83Å; R236-F260 VanDerWaalsContact NH2-CZ 3.27Å
237	N	98.1	Very high	95.4	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.07	22%	0.216	C	C	.	.	S	Bend	trans	-90.7	-151.3	169.3	-88.4	-78.1	0	0	0	109.5	L210 N213 Q214 I215 L234 Q235 L239 N261	L210-N237 PolarHBondContact O-ND2 3.16Å; N213-N237 VanDerWaalsContact CA-OD1 3.25Å; N213-N237 WeakPolarHBondContact CA-OD1 3.38Å; N213-N237 WeakPolarHBondContact CB-OD1 3.49Å; N213-N237 PolarHBondContact N-OD1 3.06Å; N213-N237 PolarHBondContact O-OD1 2.78Å; Q214-N237 PolarHBondContact N-OD1 3.21Å; I215-N237 HydrophobicContact CB-CB 4.34Å; I215-N237 WeakPolarHBondContact CB-OD1 3.25Å; I215-N237 WeakPolarHBondContact CG1-OD1 3.34Å; I215-N237 PolarHBondContact N-OD1 3Å; I215-N237 VanDerWaalsContact N-OD1 3.08Å; L234-N237 WeakPolarHBondContact O-CB 3.27Å; L234-N237 PolarHBondContact O-ND2 3.42Å; Q235-N237 VanDerWaalsContact C-N 3.25Å; Q235-N237 PolarHBondContact O-N 2.82Å; N237-L239 HydrophobicContact CB-CG 4.14Å; N237-N261 VanDerWaalsContact CA-OD1 3.28Å; N237-N261 WeakPolarHBondContact CA-OD1 3.5Å; N237-N261 WeakPolarHBondContact CB-OD1 3.26Å; N237-N261 PolarHBondContact N-OD1 2.92Å; N237-N261 PolarHBondContact O-OD1 3.48Å
238	R	96.6	Very high	95.3	Very high	130 Å²	130	43.4 Å²	43.4	49%	0.491	21%	0.214	S	C	.	.			trans	-128.6	31	175	-62.9	-179.1	178.7	148.6	0.6	110.8	I215 R216 S240 N261	I215-R238 CarbonylContact O-C 3.51Å; I215-R238 WeakPolarHBondContact O-CA 3.39Å; I215-R238 PolarHBondContact O-N 2.92Å; R216-R238 WeakPolarHBondContact CA-O 3.41Å; R216-R238 HydrophobicContact CG-CB 4.37Å; R238-S240 PolarHBondContact O-N 2.93Å; R238-N261 PolarHBondContact N-OD1 2.85Å
239	L	96.9	Very high	94.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.211	C	C	.	.			trans	-63.2	116.4	-174.6	-63	174.1	0	0	0	109.9	I215 R216 V218 L234 N237 L242 L258 N261 N262 L263	I215-L239 HydrophobicContact CB-CD2 4.24Å; I215-L239 HydrophobicContact CG2-CD2 3.74Å; I215-L239 PolarHBondContact O-N 2.93Å; R216-L239 WeakPolarHBondContact O-CA 3.28Å; V218-L239 HydrophobicContact CG2-CD2 4Å; L234-L239 HydrophobicContact CB-CD1 4.14Å; N237-L239 HydrophobicContact CB-CG 4.14Å; L239-L242 HydrophobicContact CD1-CD2 4.41Å; L239-L258 HydrophobicContact CD1-CD2 3.65Å; L239-N261 HydrophobicContact CB-CB 4.06Å; L239-N261 WeakPolarHBondContact CB-OD1 3.26Å; L239-N261 WeakPolarHBondContact CG-OD1 3.37Å; L239-N261 PolarHBondContact N-OD1 3.09Å; L239-N262 CarbonylContact O-C 3.2Å; L239-N262 WeakPolarHBondContact O-CA 3.24Å; L239-N262 PolarHBondContact O-N 2.72Å; L239-L263 HydrophobicContact CB-CD2 4.09Å; L239-L263 PolarHBondContact O-N 2.97Å
240	S	93.3	Very high	94.7	Very high	59 Å²	59	42.3 Å²	42.3	41%	0.413	21%	0.211	S	C	.	.			trans	-119.7	13	177.2	82	0	0	0	0	113.1	R216 R238 N262	R216-S240 PolarHBondContact O-N 2.74Å; R238-S240 PolarHBondContact O-N 2.93Å; S240-N262 WeakPolarHBondContact CA-O 3.38Å
241	G	86.8	Confident	94.3	Very high	29 Å²	29	40.2 Å²	40.2	30%	0.299	21%	0.214	S	C	.	.			trans	178.8	136.7	179.9	0	0	0	0	0	110.6	R217	R217-G241 WeakPolarHBondContact CA-O 3.29Å
242	L	94.3	Very high	94.2	Very high	21 Å²	21	43.2 Å²	43.2	11%	0.11	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-121	129.6	174.3	-61.9	168.9	0	0	0	106.2	V218 L239 A246 F247 L258 L263 W270	V218-L242 HydrophobicContact CB-CD2 3.75Å; V218-L242 HydrophobicContact CG2-CD2 3.64Å; L239-L242 HydrophobicContact CD1-CD2 4.41Å; L242-A246 HydrophobicContact CB-CB 4.42Å; L242-F247 HydrophobicContact CD1-CE2 4.05Å; L242-F247 HydrophobicContact CD1-CZ 4.35Å; L242-F247 HydrophobicContact CD2-CE2 4.48Å; L242-F247 HydrophobicContact CD2-CZ 4.14Å; L242-L258 HydrophobicContact CD1-CD1 4.21Å; L242-L263 HydrophobicContact CD1-CD1 3.98Å; L242-L263 HydrophobicContact CD1-CD2 4.01Å; L242-L263 HydrophobicContact CG-CD2 3.92Å; L242-W270 HydrophobicContact CB-CB 3.66Å; L242-W270 HydrophobicContact CB-CD2 4.22Å; L242-W270 HydrophobicContact CB-CG 3.7Å; L242-W270 HydrophobicContact CD1-CD2 3.58Å; L242-W270 HydrophobicContact CD1-CE3 3.71Å; L242-W270 HydrophobicContact CD1-CG 4.01Å; L242-W270 HydrophobicContact CD1-CH2 4.22Å; L242-W270 HydrophobicContact CD1-CZ2 4.1Å; L242-W270 HydrophobicContact CD1-CZ3 4.03Å
243	M	91.6	Very high	94.1	Very high	94 Å²	94	43.2 Å²	43.2	46%	0.463	23%	0.228	S	C	.	.			trans	-76	159.5	176.7	-67.5	-173	179.5	0	0	111.5	V218 E219 G245 A246 W270	V218-M243 PolarHBondContact O-N 2.94Å; V218-M243 VanDerWaalsContact O-N 3.13Å; E219-M243 HydrophobicContact CB-SD 4.19Å; E219-M243 HydrophobicContact CG-CE 4.46Å; E219-M243 HydrophobicContact CG-SD 4.33Å; M243-G245 PolarHBondContact O-N 2.8Å; M243-A246 WeakPolarHBondContact O-CB 3.34Å; M243-A246 PolarHBondContact O-N 3.05Å; M243-W270 WeakPolarHBondContact O-CB 3.47Å
244	D	90.6	Very high	94.1	Very high	118 Å²	118	43 Å²	43	63%	0.631	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	135.1	172	-71.8	1.3	0	0	0	110.5	A246 G269	D244-A246 VanDerWaalsContact C-N 3.26Å; D244-A246 PolarHBondContact O-N 3.24Å; D244-G269 WeakPolarHBondContact CA-O 3.39Å; D244-G269 VanDerWaalsContact OD1-CA 3.29Å; D244-G269 WeakPolarHBondContact OD1-CA 3.39Å
245	G	89.9	Confident	94.1	Very high	10 Å²	10	44.1 Å²	44.1	10%	0.103	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	19	-172.2	0	0	0	0	0	115.2	L221 M243 F247 F248 G269	L221-G245 PolarHBondContact N-O 3.08Å; L221-G245 VanDerWaalsContact N-O 3.09Å; M243-G245 PolarHBondContact O-N 2.8Å; G245-F247 PolarHBondContact O-N 2.97Å; G245-F248 VanDerWaalsContact O-CB 3.29Å; G245-F248 WeakPolarHBondContact O-CB 3.22Å; G245-F248 PolarHBondContact O-N 3.28Å; G245-G269 PolarHBondContact N-O 2.86Å
246	A	92.9	Very high	94.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-37.3	175.6	0	0	0	0	0	113.6	V218 E219 L242 M243 D244 W270	V218-A246 HydrophobicContact CB-CB 4.12Å; V218-A246 HydrophobicContact CG1-CB 3.77Å; E219-A246 WeakPolarHBondContact O-CA 3.33Å; L242-A246 HydrophobicContact CB-CB 4.42Å; M243-A246 WeakPolarHBondContact O-CB 3.34Å; M243-A246 PolarHBondContact O-N 3.05Å; D244-A246 VanDerWaalsContact C-N 3.26Å; D244-A246 PolarHBondContact O-N 3.24Å; A246-W270 HydrophobicContact CB-CB 4.4Å
247	F	94.6	Very high	94.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	15	177.8	-55.1	-60	0	0	0	113.5	F223 L232 L234 L242 G245 L250 L256 L258 W270 L274	F223-F247 AromaticContact CD2-CD1 3.82Å; F223-F247 HydrophobicContact CD2-CD1 3.82Å; F223-F247 HydrophobicContact CD2-CE1 4.14Å; F223-F247 AromaticContact CE2-CD1 3.99Å; F223-F247 HydrophobicContact CE2-CD1 3.99Å; F223-F247 AromaticContact CE2-CE1 3.81Å; F223-F247 HydrophobicContact CE2-CE1 3.81Å; L232-F247 HydrophobicContact CD2-CD1 3.86Å; L232-F247 HydrophobicContact CD2-CE1 3.79Å; L234-F247 HydrophobicContact CD1-CE1 3.85Å; L234-F247 HydrophobicContact CD1-CZ 4.19Å; L242-F247 HydrophobicContact CD1-CE2 4.05Å; L242-F247 HydrophobicContact CD1-CZ 4.35Å; L242-F247 HydrophobicContact CD2-CE2 4.48Å; L242-F247 HydrophobicContact CD2-CZ 4.14Å; G245-F247 PolarHBondContact O-N 2.97Å; F247-L250 HydrophobicContact CB-CD1 4.12Å; F247-L250 HydrophobicContact CD1-CD1 4.22Å; F247-L250 WeakPolarHBondContact O-CB 3.39Å; F247-L250 WeakPolarHBondContact O-CG 3.44Å; F247-L250 PolarHBondContact O-N 3.17Å; F247-L256 HydrophobicContact CD2-CD2 3.93Å; F247-L256 HydrophobicContact CE1-CD1 4.17Å; F247-L256 HydrophobicContact CE2-CD2 3.83Å; F247-L256 HydrophobicContact CG-CD2 4.39Å; F247-L256 HydrophobicContact CZ-CD1 4.21Å; F247-L256 HydrophobicContact CZ-CD2 4.21Å; F247-L258 HydrophobicContact CE2-CD1 4.13Å; F247-L258 HydrophobicContact CZ-CD1 4.16Å; F247-L258 HydrophobicContact CZ-CD2 4.18Å; F247-W270 HydrophobicContact CD2-CE3 4.01Å; F247-W270 WeakPolarHBondContact CD2-O 3.34Å; F247-W270 AromaticContact CE2-CE3 3.71Å; F247-W270 HydrophobicContact CE2-CE3 3.71Å; F247-W270 HydrophobicContact CE2-CZ3 4.05Å; F247-L274 HydrophobicContact CB-CD1 4Å; F247-L274 HydrophobicContact CB-CD2 3.95Å; F247-L274 HydrophobicContact CB-CG 4.11Å; F247-L274 HydrophobicContact CD2-CD1 4.13Å; F247-L274 HydrophobicContact CG-CD1 4.36Å
248	F	92.2	Very high	94.2	Very high	71 Å²	71	39 Å²	39	31%	0.311	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	141.5	179	-178.4	-95.8	0	0	0	111.6	L221 Q224 G245 Y272	L221-F248 HydrophobicContact CD2-CB 4.19Å; L221-F248 HydrophobicContact CD2-CD1 3.55Å; L221-F248 HydrophobicContact CD2-CE1 4.38Å; L221-F248 HydrophobicContact CD2-CG 4.24Å; Q224-F248 WeakPolarHBondContact CA-O 3.18Å; G245-F248 VanDerWaalsContact O-CB 3.29Å; G245-F248 WeakPolarHBondContact O-CB 3.22Å; G245-F248 PolarHBondContact O-N 3.28Å; F248-Y272 AromaticContact CD2-CD1 3.65Å; F248-Y272 HydrophobicContact CD2-CD1 3.65Å; F248-Y272 AromaticContact CD2-CE1 3.59Å; F248-Y272 HydrophobicContact CD2-CE1 3.59Å; F248-Y272 HydrophobicContact CE2-CD1 4.17Å; F248-Y272 AromaticContact CE2-CE1 3.61Å; F248-Y272 HydrophobicContact CE2-CE1 3.61Å
249	G	88.6	Confident	94.3	Very high	20 Å²	20	32.9 Å²	32.9	21%	0.206	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.5	-18.5	-172	0	0	0	0	0	114.1	S251	G249-S251 PolarHBondContact O-N 3.43Å
250	L	94.3	Very high	94.3	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	21%	0.207	C	C	.	.			trans	-81.3	53.6	179.6	-57.1	-175.5	0	0	0	112.8	F223 L226 L229 L232 F247 N252 M253 L274	F223-L250 HydrophobicContact CB-CD1 3.74Å; F223-L250 HydrophobicContact CB-CD2 3.87Å; F223-L250 HydrophobicContact CB-CG 3.95Å; F223-L250 HydrophobicContact CD2-CD1 4.44Å; F223-L250 HydrophobicContact CG-CD1 4.24Å; F223-L250 WeakPolarHBondContact O-CD2 3.25Å; L226-L250 HydrophobicContact CB-CD2 3.85Å; L226-L250 WeakPolarHBondContact O-CD2 3.33Å; L229-L250 HydrophobicContact CB-CD2 4.1Å; L229-L250 HydrophobicContact CD2-CD1 4.31Å; L229-L250 HydrophobicContact CD2-CD2 3.89Å; L232-L250 HydrophobicContact CD2-CD1 4.03Å; F247-L250 HydrophobicContact CB-CD1 4.12Å; F247-L250 HydrophobicContact CD1-CD1 4.22Å; F247-L250 WeakPolarHBondContact O-CB 3.39Å; F247-L250 WeakPolarHBondContact O-CG 3.44Å; F247-L250 PolarHBondContact O-N 3.17Å; L250-N252 PolarHBondContact O-N 2.94Å; L250-M253 HydrophobicContact CB-CB 4.12Å; L250-M253 HydrophobicContact CB-CE 4.39Å; L250-M253 HydrophobicContact CD1-CE 3.86Å; L250-M253 VanDerWaalsContact O-CB 3.27Å; L250-M253 WeakPolarHBondContact O-CB 3.32Å; L250-M253 PolarHBondContact O-N 3.2Å; L250-M253 VanDerWaalsContact O-N 3.11Å; L250-L274 HydrophobicContact CB-CD2 4.07Å
251	S	90.6	Very high	94.6	Very high	68 Å²	68	34.3 Å²	34.3	48%	0.476	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.8	-172.6	57.8	0	0	0	0	114.8	G249 A276	G249-S251 PolarHBondContact O-N 3.43Å; S251-A276 WeakPolarHBondContact O-CB 3.47Å
252	N	95.4	Very high	95.1	Very high	82 Å²	82	36.6 Å²	36.6	44%	0.439	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	13.2	176.4	-67.9	-60.9	0	0	0	113.7	P227 L229 L250 E254	P227-N252 PolarHBondContact O-ND2 3.11Å; L229-N252 CarbonylContact O-C 3.52Å; L250-N252 PolarHBondContact O-N 2.94Å; N252-E254 PolarHBondContact O-N 3.06Å
253	M	96.9	Very high	95.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.			trans	-64.6	126.3	179.3	-176.6	55.1	60.6	0	0	111.6	L229 R230 L232 L250 V255 L274 A276 L277	L229-M253 HydrophobicContact CB-CE 4.26Å; L229-M253 HydrophobicContact CD2-CE 3.63Å; L229-M253 HydrophobicContact CG-CE 3.77Å; L229-M253 VanDerWaalsContact O-CA 3.26Å; L229-M253 WeakPolarHBondContact O-CA 3.35Å; L229-M253 PolarHBondContact O-N 3.28Å; R230-M253 VanDerWaalsContact C-SD 3.57Å; L232-M253 HydrophobicContact CB-CE 3.53Å; L232-M253 HydrophobicContact CB-SD 4.16Å; L250-M253 HydrophobicContact CB-CB 4.12Å; L250-M253 HydrophobicContact CB-CE 4.39Å; L250-M253 HydrophobicContact CD1-CE 3.86Å; L250-M253 VanDerWaalsContact O-CB 3.27Å; L250-M253 WeakPolarHBondContact O-CB 3.32Å; L250-M253 PolarHBondContact O-N 3.2Å; L250-M253 VanDerWaalsContact O-N 3.11Å; M253-V255 VanDerWaalsContact SD-O 3.38Å; M253-L274 HydrophobicContact CB-CD2 3.73Å; M253-L274 HydrophobicContact CG-CD2 3.92Å; M253-A276 CarbonylContact O-C 3.58Å; M253-A276 WeakPolarHBondContact O-CB 3.47Å; M253-L277 HydrophobicContact CG-CD1 3.84Å; M253-L277 WeakPolarHBondContact O-CA 3.49Å; M253-L277 PolarHBondContact O-N 3.24Å
254	E	97.9	Very high	95.5	Very high	49 Å²	49	34.6 Å²	34.6	23%	0.229	19%	0.191	C	C	.	.			trans	-107.2	-39.1	178	-62.1	170.6	168.5	0	0	111.2	R230 N252 Q278 Q279	R230-E254 HydrophobicContact CB-CB 4.5Å; R230-E254 HydrophobicContact CB-CG 4.23Å; R230-E254 HydrophobicContact CG-CG 4.34Å; R230-E254 IonicContact CZ-OE1 3.92Å; R230-E254 IonicContact NE-OE1 2.73Å; R230-E254 IonicContact NH1-OE1 3.72Å; R230-E254 PolarHBondContact NH1-OE1 3.04Å; R230-E254 WeakPolarHBondContact O-CA 3.21Å; R230-E254 WeakPolarHBondContact O-CB 3.34Å; R230-E254 PolarHBondContact O-N 3.08Å; N252-E254 PolarHBondContact O-N 3.06Å; E254-Q278 WeakPolarHBondContact O-CA 3.22Å; E254-Q278 PolarHBondContact O-N 3.25Å; E254-Q279 PolarHBondContact O-N 3.18Å
255	V	98.6	Very high	95.7	Very high	24 Å²	24	31.3 Å²	31.3	15%	0.145	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	111.3	-171.7	-178	0	0	0	0	111.8	R230 S231 L232 M253 Q257 Q279	R230-V255 PolarHBondContact O-N 3.11Å; S231-V255 WeakPolarHBondContact CA-O 3.34Å; S231-V255 PolarHBondContact OG-O 3.09Å; L232-V255 PolarHBondContact N-O 2.87Å; M253-V255 VanDerWaalsContact SD-O 3.38Å; V255-Q257 HydrophobicContact CG1-CG 4.14Å; V255-Q279 HydrophobicContact CG1-CB 4.29Å; V255-Q279 HydrophobicContact CG2-CB 4.17Å; V255-Q279 HydrophobicContact CG2-CG 4.21Å
256	L	98.5	Very high	96	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	119.8	176.7	179.7	56.7	0	0	0	111	L232 F247 L258 L274 L277 Q279 L280 H281	L232-L256 HydrophobicContact CB-CD1 4.12Å; L232-L256 HydrophobicContact CD2-CD1 4.04Å; L232-L256 HydrophobicContact CG-CD1 4.07Å; F247-L256 HydrophobicContact CD2-CD2 3.93Å; F247-L256 HydrophobicContact CE1-CD1 4.17Å; F247-L256 HydrophobicContact CE2-CD2 3.83Å; F247-L256 HydrophobicContact CG-CD2 4.39Å; F247-L256 HydrophobicContact CZ-CD1 4.21Å; F247-L256 HydrophobicContact CZ-CD2 4.21Å; L256-L258 HydrophobicContact CD1-CD1 4.35Å; L256-L258 HydrophobicContact CD1-CG 4.21Å; L256-L258 HydrophobicContact CD2-CD1 3.9Å; L256-L258 HydrophobicContact CG-CD1 3.94Å; L256-L258 HydrophobicContact CG-CG 4.13Å; L256-L274 HydrophobicContact CD2-CD1 3.86Å; L256-L277 HydrophobicContact CB-CD1 3.79Å; L256-Q279 PolarHBondContact N-O 2.9Å; L256-L280 HydrophobicContact CB-CD1 4.1Å; L256-L280 HydrophobicContact CD2-CD1 3.98Å; L256-L280 HydrophobicContact CG-CD1 4.04Å; L256-H281 PolarHBondContact O-N 3.03Å
257	Q	98.7	Very high	96	Very high	43 Å²	43	31.3 Å²	31.3	20%	0.201	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	109.9	-179.1	-61.3	-176.4	-8.5	0	0	112.3	L232 K233 L234 Q235 V255 H281	L232-Q257 PolarHBondContact O-N 3.2Å; K233-Q257 HydrophobicContact CG-CB 4.45Å; L234-Q257 CarbonylContact C-O 3.58Å; L234-Q257 WeakPolarHBondContact CA-O 3.39Å; L234-Q257 PolarHBondContact N-O 3.42Å; Q235-Q257 PolarHBondContact N-O 3.27Å; Q235-Q257 VanDerWaalsContact N-O 3.13Å; Q235-Q257 VanDerWaalsContact OE1-CB 3.32Å; V255-Q257 HydrophobicContact CG1-CG 4.14Å; Q257-H281 HydrophobicContact CB-CB 4.42Å; Q257-H281 HydrophobicContact CG-CB 4.2Å
258	L	98.4	Very high	95.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.			trans	-122.8	5	-176	-74.1	167.4	0	0	0	113.4	L234 L239 L242 F247 L256 N261 L263 W270 L280 H281 L282 N285	L234-L258 HydrophobicContact CB-CD2 3.84Å; L234-L258 HydrophobicContact CD1-CD2 4.05Å; L239-L258 HydrophobicContact CD1-CD2 3.65Å; L242-L258 HydrophobicContact CD1-CD1 4.21Å; F247-L258 HydrophobicContact CE2-CD1 4.13Å; F247-L258 HydrophobicContact CZ-CD1 4.16Å; F247-L258 HydrophobicContact CZ-CD2 4.18Å; L256-L258 HydrophobicContact CD1-CD1 4.35Å; L256-L258 HydrophobicContact CD1-CG 4.21Å; L256-L258 HydrophobicContact CD2-CD1 3.9Å; L256-L258 HydrophobicContact CG-CD1 3.94Å; L256-L258 HydrophobicContact CG-CG 4.13Å; L258-N261 PolarHBondContact O-ND2 3.09Å; L258-L263 HydrophobicContact CB-CD1 4.33Å; L258-L263 HydrophobicContact CD1-CD1 4.47Å; L258-W270 HydrophobicContact CD1-CH2 4.09Å; L258-W270 HydrophobicContact CD1-CZ3 3.89Å; L258-L280 HydrophobicContact CD1-CD1 4.47Å; L258-H281 CarbonylContact C-O 3.48Å; L258-H281 WeakPolarHBondContact CA-O 3.41Å; L258-H281 WeakPolarHBondContact CB-O 3.4Å; L258-H281 PolarHBondContact N-O 2.99Å; L258-L282 HydrophobicContact CB-CD2 3.76Å; L258-L282 HydrophobicContact CD1-CD2 4.03Å; L258-N285 PolarHBondContact O-ND2 3.22Å; L258-N285 VanDerWaalsContact O-ND2 3.12Å
259	G	98.3	Very high	95.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.182	C	C	.	.			trans	-61.7	163.9	-179.4	0	0	0	0	0	115.2	Q235 R236 N261 H281 E283	Q235-G259 CarbonylContact C-O 3.58Å; Q235-G259 WeakPolarHBondContact CA-O 3.25Å; Q235-G259 WeakPolarHBondContact CB-O 3.06Å; R236-G259 PolarHBondContact N-O 3.11Å; G259-N261 PolarHBondContact O-N 3.29Å; G259-N261 PolarHBondContact O-ND2 2.82Å; G259-H281 PolarHBondContact N-O 2.92Å; G259-H281 VanDerWaalsContact N-O 3.11Å; G259-E283 CarbonylContact C-O 3.58Å; G259-E283 VanDerWaalsContact C-O 3.31Å; G259-E283 WeakPolarHBondContact CA-O 3.42Å
260	F	98.5	Very high	96.2	Very high	72 Å²	72	32.3 Å²	32.3	32%	0.316	17%	0.174	S	C	.	.	S	Bend	trans	53	51	-175.4	-58	-93.9	0	0	0	112.5	R236 E283 H284	R236-F260 WeakPolarHBondContact CA-O 3.36Å; R236-F260 HydrophobicContact CB-CB 4.23Å; R236-F260 HydrophobicContact CG-CB 3.37Å; R236-F260 HydrophobicContact CG-CD1 4.45Å; R236-F260 HydrophobicContact CG-CD2 4.04Å; R236-F260 HydrophobicContact CG-CG 3.73Å; R236-F260 PolarHBondContact N-O 2.83Å; R236-F260 VanDerWaalsContact NH2-CZ 3.27Å; F260-E283 HydrophobicContact CE2-CG 4.44Å; F260-E283 PolarHBondContact N-O 3.2Å; F260-H284 CarbonylContact C-O 3.42Å; F260-H284 WeakPolarHBondContact CA-O 3.42Å; F260-H284 HydrophobicContact CB-CB 4.46Å; F260-H284 HydrophobicContact CD1-CB 3.7Å; F260-H284 AromaticContact CD1-CD2 3.97Å; F260-H284 AromaticContact CD1-CG 3.9Å; F260-H284 HydrophobicContact CD2-CB 4.43Å; F260-H284 HydrophobicContact CE1-CB 3.97Å; F260-H284 AromaticContact CE1-CD2 3.33Å; F260-H284 WeakPolarHBondContact CE1-CD2 3.35Å; F260-H284 AromaticContact CE1-CG 3.61Å; F260-H284 AromaticContact CE1-NE2 3.84Å; F260-H284 AromaticContact CE2-CD2 3.7Å; F260-H284 HydrophobicContact CG-CB 3.94Å; F260-H284 HydrophobicContact CZ-CB 4.44Å; F260-H284 AromaticContact CZ-CD2 3.17Å; F260-H284 WeakPolarHBondContact CZ-CD2 3.19Å; F260-H284 AromaticContact CZ-CG 3.93Å; F260-H284 AromaticContact CZ-NE2 3.66Å; F260-H284 PolarHBondContact N-O 3Å
261	N	98.4	Very high	96.2	Very high	17 Å²	17	32.2 Å²	32.2	9%	0.091	17%	0.173	C	C	.	.	S	Bend	trans	-126.3	-160.1	174.9	-84.7	-71.7	0	0	0	109.1	L234 N237 R238 L239 L258 G259 L263 H284 N285	L234-N261 PolarHBondContact O-ND2 3.3Å; L234-N261 VanDerWaalsContact O-ND2 3.07Å; N237-N261 VanDerWaalsContact CA-OD1 3.28Å; N237-N261 WeakPolarHBondContact CA-OD1 3.5Å; N237-N261 WeakPolarHBondContact CB-OD1 3.26Å; N237-N261 PolarHBondContact N-OD1 2.92Å; N237-N261 PolarHBondContact O-OD1 3.48Å; R238-N261 PolarHBondContact N-OD1 2.85Å; L239-N261 HydrophobicContact CB-CB 4.06Å; L239-N261 WeakPolarHBondContact CB-OD1 3.26Å; L239-N261 WeakPolarHBondContact CG-OD1 3.37Å; L239-N261 PolarHBondContact N-OD1 3.09Å; L258-N261 PolarHBondContact O-ND2 3.09Å; G259-N261 PolarHBondContact O-N 3.29Å; G259-N261 PolarHBondContact O-ND2 2.82Å; N261-L263 HydrophobicContact CB-CG 4.49Å; N261-H284 PolarHBondContact N-O 3.3Å; N261-N285 VanDerWaalsContact CA-OD1 3.31Å; N261-N285 WeakPolarHBondContact CA-OD1 3.33Å; N261-N285 WeakPolarHBondContact CB-OD1 3.26Å; N261-N285 PolarHBondContact N-OD1 2.7Å; N261-N285 PolarHBondContact O-OD1 2.67Å
262	N	97.8	Very high	96.3	Very high	78 Å²	78	35.6 Å²	35.6	42%	0.417	18%	0.177	S	C	.	.			trans	-129.7	40	179.1	-169.5	44.3	0	0	0	111.5	L239 S240 N285 T286	L239-N262 CarbonylContact O-C 3.2Å; L239-N262 WeakPolarHBondContact O-CA 3.24Å; L239-N262 PolarHBondContact O-N 2.72Å; S240-N262 WeakPolarHBondContact CA-O 3.38Å; N262-N285 PolarHBondContact N-OD1 3.36Å; N262-T286 VanDerWaalsContact OD1-CG2 3.28Å; N262-T286 WeakPolarHBondContact OD1-CG2 3.46Å; N262-T286 PolarHBondContact OD1-OG1 3.06Å
263	L	97.6	Very high	95.9	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.169	C	C	.	.			trans	-73.7	132.6	174.8	-58.2	176.2	0	0	0	109.7	L239 L242 L258 N261 L282 N285 T286 I287	L239-L263 HydrophobicContact CB-CD2 4.09Å; L239-L263 PolarHBondContact O-N 2.97Å; L242-L263 HydrophobicContact CD1-CD1 3.98Å; L242-L263 HydrophobicContact CD1-CD2 4.01Å; L242-L263 HydrophobicContact CG-CD2 3.92Å; L258-L263 HydrophobicContact CB-CD1 4.33Å; L258-L263 HydrophobicContact CD1-CD1 4.47Å; N261-L263 HydrophobicContact CB-CG 4.49Å; L263-L282 HydrophobicContact CD1-CD2 3.93Å; L263-N285 HydrophobicContact CB-CB 4.35Å; L263-N285 WeakPolarHBondContact CB-OD1 3.29Å; L263-N285 WeakPolarHBondContact CG-OD1 3.21Å; L263-N285 PolarHBondContact N-OD1 2.73Å; L263-T286 CarbonylContact O-C 3.56Å; L263-T286 WeakPolarHBondContact O-CA 3.02Å; L263-T286 PolarHBondContact O-N 3.13Å; L263-T286 PolarHBondContact O-OG1 2.64Å; L263-I287 HydrophobicContact CB-CG1 4.38Å; L263-I287 VanDerWaalsContact O-CG1 3.3Å; L263-I287 WeakPolarHBondContact O-CG1 3.33Å; L263-I287 PolarHBondContact O-N 3.4Å
264	T	96.4	Very high	95.7	Very high	68 Å²	68	33 Å²	33	42%	0.417	17%	0.169	S	C	.	.			trans	-101.1	-14.5	-174.1	50.6	0	0	0	0	114.3	I287 S288	T264-I287 WeakPolarHBondContact O-CA 3.18Å; T264-S288 PolarHBondContact O-N 3.46Å; T264-S288 PolarHBondContact O-OG 2.98Å; T264-S288 VanDerWaalsContact O-OG 3.12Å
265	E	95.8	Very high	95.5	Very high	49 Å²	49	32.6 Å²	32.6	23%	0.229	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	166.3	177.3	71.7	-175.3	139.5	0	0	112.6	R289 Q291	E265-R289 WeakPolarHBondContact CA-O 3.33Å; E265-R289 HydrophobicContact CB-CG 3.56Å; E265-R289 IonicContact OE1-NH1 3.68Å; E265-R289 PolarHBondContact OE1-NH1 3.22Å; E265-R289 WeakPolarHBondContact OE2-CD 3.5Å; E265-R289 IonicContact OE2-CZ 2.75Å; E265-R289 IonicContact OE2-NE 3.99Å; E265-R289 IonicContact OE2-NH1 3.8Å; E265-R289 PolarHBondContact OE2-NH1 2.87Å; E265-Q291 VanDerWaalsContact CD-NE2 3.29Å; E265-Q291 PolarHBondContact OE2-NE2 2.85Å
266	V	95.5	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.8	166.7	-166.1	0	0	0	0	109.2	W270 L271 L282 I287 R289 Q291 T294 W295 L306	V266-W270 HydrophobicContact CB-CZ2 4.23Å; V266-W270 HydrophobicContact CG1-CH2 4.01Å; V266-W270 HydrophobicContact CG1-CZ2 3.65Å; V266-L271 HydrophobicContact CG1-CD1 4.03Å; V266-L282 HydrophobicContact CG2-CD1 3.86Å; V266-I287 HydrophobicContact CG2-CD1 3.97Å; V266-I287 HydrophobicContact CG2-CG2 4.09Å; V266-R289 PolarHBondContact N-O 2.73Å; V266-Q291 WeakPolarHBondContact O-CG 3.47Å; V266-Q291 PolarHBondContact O-N 2.75Å; V266-T294 HydrophobicContact CB-CG2 4.35Å; V266-T294 HydrophobicContact CG1-CG2 3.63Å; V266-W295 HydrophobicContact CG1-CH2 3.79Å; V266-W295 HydrophobicContact CG1-CZ2 4.45Å; V266-W295 HydrophobicContact CG1-CZ3 4.17Å; V266-L306 HydrophobicContact CG2-CD2 4.24Å
267	S	93.4	Very high	95.3	Very high	10 Å²	10	32.2 Å²	32.2	7%	0.07	18%	0.178	C	C	.	.			trans	-133.8	154.4	179.5	74	0	0	0	0	113.1	G269 Q291	S267-G269 PolarHBondContact O-N 2.72Å; S267-Q291 VanDerWaalsContact CB-CD 3.4Å
268	K	92.8	Very high	95.3	Very high	86 Å²	86	34.4 Å²	34.4	37%	0.374	19%	0.188	S	C	.	.	H	α-helix	trans	-56.7	-31.7	171.6	-170.7	176.5	178.2	179.4	0	112.8	Y272 E293	K268-Y272 PolarHBondContact O-N 2.91Å; K268-E293 HydrophobicContact CD-CB 4.34Å; K268-E293 IonicContact NZ-OE2 3.85Å; K268-E293 PolarHBondContact NZ-OE2 3.37Å
269	G	92.1	Very high	95.3	Very high	17 Å²	17	38 Å²	38	18%	0.175	20%	0.204	C	C	.	.	H	α-helix	trans	-67.1	-50.9	-171.2	0	0	0	0	0	113.8	D244 G245 S267 Y272	D244-G269 WeakPolarHBondContact CA-O 3.39Å; D244-G269 VanDerWaalsContact OD1-CA 3.29Å; D244-G269 WeakPolarHBondContact OD1-CA 3.39Å; G245-G269 PolarHBondContact N-O 2.86Å; S267-G269 PolarHBondContact O-N 2.72Å; G269-Y272 VanDerWaalsContact O-CB 3.32Å; G269-Y272 WeakPolarHBondContact O-CB 3.29Å; G269-Y272 PolarHBondContact O-N 2.92Å
270	W	94.2	Very high	95.3	Very high	9 Å²	9	38 Å²	38	3%	0.034	21%	0.205	C	C	.	.	H	α-helix	trans	-78.8	-22.3	178.7	61.5	-106.8	0	0	0	113.8	L242 M243 A246 F247 L258 V266 Y272 L282	L242-W270 HydrophobicContact CB-CB 3.66Å; L242-W270 HydrophobicContact CB-CD2 4.22Å; L242-W270 HydrophobicContact CB-CG 3.7Å; L242-W270 HydrophobicContact CD1-CD2 3.58Å; L242-W270 HydrophobicContact CD1-CE3 3.71Å; L242-W270 HydrophobicContact CD1-CG 4.01Å; L242-W270 HydrophobicContact CD1-CH2 4.22Å; L242-W270 HydrophobicContact CD1-CZ2 4.1Å; L242-W270 HydrophobicContact CD1-CZ3 4.03Å; M243-W270 WeakPolarHBondContact O-CB 3.47Å; A246-W270 HydrophobicContact CB-CB 4.4Å; F247-W270 HydrophobicContact CD2-CE3 4.01Å; F247-W270 WeakPolarHBondContact CD2-O 3.34Å; F247-W270 AromaticContact CE2-CE3 3.71Å; F247-W270 HydrophobicContact CE2-CE3 3.71Å; F247-W270 HydrophobicContact CE2-CZ3 4.05Å; L258-W270 HydrophobicContact CD1-CH2 4.09Å; L258-W270 HydrophobicContact CD1-CZ3 3.89Å; V266-W270 HydrophobicContact CB-CZ2 4.23Å; V266-W270 HydrophobicContact CG1-CH2 4.01Å; V266-W270 HydrophobicContact CG1-CZ2 3.65Å; W270-Y272 VanDerWaalsContact C-N 3.27Å; W270-L282 HydrophobicContact CH2-CD1 4.44Å; W270-L282 HydrophobicContact CH2-CD2 4.09Å
271	L	94.5	Very high	95.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-75.3	-11.3	171.3	-72.5	174.5	0	0	0	113.8	V266 G273 L274 L280 T294 W295	V266-L271 HydrophobicContact CG1-CD1 4.03Å; L271-G273 PolarHBondContact O-N 2.91Å; L271-L274 HydrophobicContact CD2-CD1 3.88Å; L271-L274 WeakPolarHBondContact O-CB 3.3Å; L271-L274 WeakPolarHBondContact O-CG 3.24Å; L271-L274 PolarHBondContact O-N 3.28Å; L271-L280 HydrophobicContact CD2-CD2 4.17Å; L271-T294 HydrophobicContact CD1-CG2 3.54Å; L271-W295 HydrophobicContact CD1-CE3 4.05Å; L271-W295 HydrophobicContact CD1-CZ3 3.89Å
272	Y	91.8	Very high	95.3	Very high	139 Å²	139	35 Å²	35	55%	0.545	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	120.8	-172	-178.3	-106	0	0	0	113.2	F248 K268 G269 W270	F248-Y272 AromaticContact CD2-CD1 3.65Å; F248-Y272 HydrophobicContact CD2-CD1 3.65Å; F248-Y272 AromaticContact CD2-CE1 3.59Å; F248-Y272 HydrophobicContact CD2-CE1 3.59Å; F248-Y272 HydrophobicContact CE2-CD1 4.17Å; F248-Y272 AromaticContact CE2-CE1 3.61Å; F248-Y272 HydrophobicContact CE2-CE1 3.61Å; K268-Y272 PolarHBondContact O-N 2.91Å; G269-Y272 VanDerWaalsContact O-CB 3.32Å; G269-Y272 WeakPolarHBondContact O-CB 3.29Å; G269-Y272 PolarHBondContact O-N 2.92Å; W270-Y272 VanDerWaalsContact C-N 3.27Å
273	G	87.7	Confident	95.3	Very high	28 Å²	28	32.6 Å²	32.6	29%	0.289	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.1	-12.3	-179.2	0	0	0	0	0	115.2	L271 G275	L271-G273 PolarHBondContact O-N 2.91Å; G273-G275 PolarHBondContact O-N 2.97Å
274	L	93.8	Very high	95.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.			trans	-80.4	44.1	-174	-65.8	177.4	0	0	0	114.8	F247 L250 M253 L256 L271 A276 L277	F247-L274 HydrophobicContact CB-CD1 4Å; F247-L274 HydrophobicContact CB-CD2 3.95Å; F247-L274 HydrophobicContact CB-CG 4.11Å; F247-L274 HydrophobicContact CD2-CD1 4.13Å; F247-L274 HydrophobicContact CG-CD1 4.36Å; L250-L274 HydrophobicContact CB-CD2 4.07Å; M253-L274 HydrophobicContact CB-CD2 3.73Å; M253-L274 HydrophobicContact CG-CD2 3.92Å; L256-L274 HydrophobicContact CD2-CD1 3.86Å; L271-L274 HydrophobicContact CD2-CD1 3.88Å; L271-L274 WeakPolarHBondContact O-CB 3.3Å; L271-L274 WeakPolarHBondContact O-CG 3.24Å; L271-L274 PolarHBondContact O-N 3.28Å; L274-A276 PolarHBondContact O-N 3.42Å; L274-A276 VanDerWaalsContact O-N 3.08Å; L274-L277 HydrophobicContact CB-CB 4.16Å; L274-L277 HydrophobicContact CB-CD2 4.38Å; L274-L277 HydrophobicContact CD1-CD2 4.23Å; L274-L277 VanDerWaalsContact O-CB 3.26Å; L274-L277 WeakPolarHBondContact O-CB 3.17Å; L274-L277 PolarHBondContact O-N 3.13Å; L274-L277 VanDerWaalsContact O-N 3.08Å
275	G	92.6	Very high	95.5	Very high	39 Å²	39	33.6 Å²	33.6	40%	0.402	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.2	-175.3	0	0	0	0	0	116.7	G273 C297 K300	G273-G275 PolarHBondContact O-N 2.97Å; G275-C297 WeakPolarHBondContact CA-O 3.38Å; G275-K300 WeakPolarHBondContact O-CD 3.47Å
276	A	96.1	Very high	95.6	Very high	18 Å²	18	33 Å²	33	15%	0.149	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-5.8	173.8	0	0	0	0	0	114.1	S251 M253 L274 Q278	S251-A276 WeakPolarHBondContact O-CB 3.47Å; M253-A276 CarbonylContact O-C 3.58Å; M253-A276 WeakPolarHBondContact O-CB 3.47Å; L274-A276 PolarHBondContact O-N 3.42Å; L274-A276 VanDerWaalsContact O-N 3.08Å; A276-Q278 WeakPolarHBondContact O-CG 3.34Å; A276-Q278 PolarHBondContact O-N 2.94Å
277	L	97.6	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.176	C	C	.	.			trans	-63.1	126.3	-167	-171.1	70.1	0	0	0	112.1	M253 L256 L274 L280 K300 L301	M253-L277 HydrophobicContact CG-CD1 3.84Å; M253-L277 WeakPolarHBondContact O-CA 3.49Å; M253-L277 PolarHBondContact O-N 3.24Å; L256-L277 HydrophobicContact CB-CD1 3.79Å; L274-L277 HydrophobicContact CB-CB 4.16Å; L274-L277 HydrophobicContact CB-CD2 4.38Å; L274-L277 HydrophobicContact CD1-CD2 4.23Å; L274-L277 VanDerWaalsContact O-CB 3.26Å; L274-L277 WeakPolarHBondContact O-CB 3.17Å; L274-L277 PolarHBondContact O-N 3.13Å; L274-L277 VanDerWaalsContact O-N 3.08Å; L277-L280 HydrophobicContact CD2-CB 4.17Å; L277-L280 HydrophobicContact CD2-CD2 4.41Å; L277-K300 CarbonylContact O-C 3.57Å; L277-L301 HydrophobicContact CD2-CD1 4.03Å; L277-L301 HydrophobicContact CG-CD1 3.94Å; L277-L301 VanDerWaalsContact O-CA 3.22Å; L277-L301 WeakPolarHBondContact O-CA 3.45Å; L277-L301 PolarHBondContact O-N 2.72Å
278	Q	97.8	Very high	95.8	Very high	89 Å²	89	35 Å²	35	42%	0.416	19%	0.191	S	C	.	.			trans	-109	-33.1	-178.9	-58.8	178.5	27.3	0	0	112	E254 A276 G302 K303	E254-Q278 WeakPolarHBondContact O-CA 3.22Å; E254-Q278 PolarHBondContact O-N 3.25Å; A276-Q278 WeakPolarHBondContact O-CG 3.34Å; A276-Q278 PolarHBondContact O-N 2.94Å; Q278-G302 PolarHBondContact O-N 2.82Å; Q278-K303 PolarHBondContact O-N 3.25Å
279	Q	98.5	Very high	95.9	Very high	74 Å²	74	37.2 Å²	37.2	35%	0.346	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.2	-177.3	-49.9	-173.5	9.9	0	0	111.5	E254 V255 L256 K303	E254-Q279 PolarHBondContact O-N 3.18Å; V255-Q279 HydrophobicContact CG1-CB 4.29Å; V255-Q279 HydrophobicContact CG2-CB 4.17Å; V255-Q279 HydrophobicContact CG2-CG 4.21Å; L256-Q279 PolarHBondContact N-O 2.9Å; Q279-K303 WeakPolarHBondContact CA-O 3.23Å; Q279-K303 HydrophobicContact CB-CB 4.39Å; Q279-K303 HydrophobicContact CG-CB 4.17Å
280	L	98.5	Very high	96.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.7	177.9	-178.9	57.1	0	0	0	110.6	L256 L258 L271 L277 L282 W295 L301 K303 L304 N305	L256-L280 HydrophobicContact CB-CD1 4.1Å; L256-L280 HydrophobicContact CD2-CD1 3.98Å; L256-L280 HydrophobicContact CG-CD1 4.04Å; L258-L280 HydrophobicContact CD1-CD1 4.47Å; L271-L280 HydrophobicContact CD2-CD2 4.17Å; L277-L280 HydrophobicContact CD2-CB 4.17Å; L277-L280 HydrophobicContact CD2-CD2 4.41Å; L280-L282 HydrophobicContact CD1-CD1 4.39Å; L280-L282 HydrophobicContact CD1-CG 4.22Å; L280-L282 HydrophobicContact CD2-CD1 3.88Å; L280-L282 HydrophobicContact CG-CD1 3.92Å; L280-L282 HydrophobicContact CG-CG 4.1Å; L280-W295 HydrophobicContact CD2-CH2 4.34Å; L280-W295 HydrophobicContact CD2-CZ3 3.79Å; L280-L301 HydrophobicContact CB-CD1 3.7Å; L280-L301 HydrophobicContact CB-CD2 4.44Å; L280-K303 PolarHBondContact N-O 2.87Å; L280-L304 HydrophobicContact CB-CD1 4.18Å; L280-L304 HydrophobicContact CD2-CD1 4.04Å; L280-L304 HydrophobicContact CG-CD1 4.18Å; L280-N305 PolarHBondContact O-N 2.65Å
281	H	98.7	Very high	95.9	Very high	27 Å²	27	40.3 Å²	40.3	13%	0.125	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.9	-178.1	-63.3	-101.3	0	0	0	110.6	L256 Q257 L258 G259 E283	L256-H281 PolarHBondContact O-N 3.03Å; Q257-H281 HydrophobicContact CB-CB 4.42Å; Q257-H281 HydrophobicContact CG-CB 4.2Å; L258-H281 CarbonylContact C-O 3.48Å; L258-H281 WeakPolarHBondContact CA-O 3.41Å; L258-H281 WeakPolarHBondContact CB-O 3.4Å; L258-H281 PolarHBondContact N-O 2.99Å; G259-H281 PolarHBondContact N-O 2.92Å; G259-H281 VanDerWaalsContact N-O 3.11Å; H281-E283 WeakPolarHBondContact CB-OE2 3.22Å; H281-E283 IonicContact CG-OE2 3.89Å; H281-E283 IonicContact ND1-OE2 2.9Å
282	L	98.4	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.			trans	-123.7	13.3	-177.7	-71.1	164.9	0	0	0	112.1	L258 L263 V266 W270 L280 N285 I287 N305 L306 N309	L258-L282 HydrophobicContact CB-CD2 3.76Å; L258-L282 HydrophobicContact CD1-CD2 4.03Å; L263-L282 HydrophobicContact CD1-CD2 3.93Å; V266-L282 HydrophobicContact CG2-CD1 3.86Å; W270-L282 HydrophobicContact CH2-CD1 4.44Å; W270-L282 HydrophobicContact CH2-CD2 4.09Å; L280-L282 HydrophobicContact CD1-CD1 4.39Å; L280-L282 HydrophobicContact CD1-CG 4.22Å; L280-L282 HydrophobicContact CD2-CD1 3.88Å; L280-L282 HydrophobicContact CG-CD1 3.92Å; L280-L282 HydrophobicContact CG-CG 4.1Å; L282-N285 PolarHBondContact O-ND2 2.78Å; L282-I287 HydrophobicContact CB-CD1 3.85Å; L282-I287 HydrophobicContact CD1-CD1 4.24Å; L282-I287 HydrophobicContact CD2-CD1 4.22Å; L282-I287 HydrophobicContact CG-CD1 4.34Å; L282-N305 CarbonylContact C-O 3.5Å; L282-N305 WeakPolarHBondContact CA-O 3.49Å; L282-N305 WeakPolarHBondContact CB-O 3.42Å; L282-N305 PolarHBondContact N-O 2.87Å; L282-L306 HydrophobicContact CB-CD2 4.06Å; L282-L306 HydrophobicContact CD1-CD2 3.8Å; L282-N309 PolarHBondContact O-ND2 3.49Å
283	E	98.6	Very high	95.4	Very high	27 Å²	27	41.8 Å²	41.8	13%	0.126	23%	0.228	C	C	.	.			trans	-61.9	152.2	-176.1	67.9	-70.5	154.9	0	0	114.1	G259 F260 H281 N285 N305 S307	G259-E283 CarbonylContact C-O 3.58Å; G259-E283 VanDerWaalsContact C-O 3.31Å; G259-E283 WeakPolarHBondContact CA-O 3.42Å; F260-E283 HydrophobicContact CE2-CG 4.44Å; F260-E283 PolarHBondContact N-O 3.2Å; H281-E283 WeakPolarHBondContact CB-OE2 3.22Å; H281-E283 IonicContact CG-OE2 3.89Å; H281-E283 IonicContact ND1-OE2 2.9Å; E283-N285 PolarHBondContact O-N 3.03Å; E283-N285 PolarHBondContact O-ND2 3.08Å; E283-N305 WeakPolarHBondContact CB-ND2 3.36Å; E283-N305 PolarHBondContact N-O 3.38Å; E283-N305 PolarHBondContact OE2-ND2 2.84Å; E283-S307 CarbonylContact C-O 3.45Å; E283-S307 WeakPolarHBondContact CA-O 3.35Å; E283-S307 WeakPolarHBondContact CB-O 3.37Å; E283-S307 WeakPolarHBondContact CB-OG 3.32Å
284	H	98.4	Very high	95.5	Very high	86 Å²	86	40.5 Å²	40.5	40%	0.398	21%	0.214	S	C	.	.	S	Bend	trans	54.7	50.8	-178.4	-59.8	-76.6	0	0	0	112.8	F260 N261 S307 S308	F260-H284 CarbonylContact C-O 3.42Å; F260-H284 WeakPolarHBondContact CA-O 3.42Å; F260-H284 HydrophobicContact CB-CB 4.46Å; F260-H284 HydrophobicContact CD1-CB 3.7Å; F260-H284 AromaticContact CD1-CD2 3.97Å; F260-H284 AromaticContact CD1-CG 3.9Å; F260-H284 HydrophobicContact CD2-CB 4.43Å; F260-H284 HydrophobicContact CE1-CB 3.97Å; F260-H284 AromaticContact CE1-CD2 3.33Å; F260-H284 WeakPolarHBondContact CE1-CD2 3.35Å; F260-H284 AromaticContact CE1-CG 3.61Å; F260-H284 AromaticContact CE1-NE2 3.84Å; F260-H284 AromaticContact CE2-CD2 3.7Å; F260-H284 HydrophobicContact CG-CB 3.94Å; F260-H284 HydrophobicContact CZ-CB 4.44Å; F260-H284 AromaticContact CZ-CD2 3.17Å; F260-H284 WeakPolarHBondContact CZ-CD2 3.19Å; F260-H284 AromaticContact CZ-CG 3.93Å; F260-H284 AromaticContact CZ-NE2 3.66Å; F260-H284 PolarHBondContact N-O 3Å; N261-H284 PolarHBondContact N-O 3.3Å; H284-S307 PolarHBondContact N-O 2.98Å; H284-S307 VanDerWaalsContact N-O 3.09Å; H284-S308 WeakPolarHBondContact CA-O 3.36Å; H284-S308 VanDerWaalsContact CE1-CB 3.45Å; H284-S308 WeakPolarHBondContact CE1-CB 3.08Å; H284-S308 PolarHBondContact CE1-OG 2.71Å; H284-S308 VanDerWaalsContact CE1-OG 3.23Å; H284-S308 PolarHBondContact N-O 2.99Å; H284-S308 VanDerWaalsContact ND1-CB 3.25Å; H284-S308 WeakPolarHBondContact ND1-CB 3.48Å
285	N	98.4	Very high	95.5	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	21%	0.214	C	C	.	.	S	Bend	trans	-114	-166.4	166.3	-84.7	-86.6	0	0	0	108.9	L258 N261 N262 L263 L282 E283 I287 N309	L258-N285 PolarHBondContact O-ND2 3.22Å; L258-N285 VanDerWaalsContact O-ND2 3.12Å; N261-N285 VanDerWaalsContact CA-OD1 3.31Å; N261-N285 WeakPolarHBondContact CA-OD1 3.33Å; N261-N285 WeakPolarHBondContact CB-OD1 3.26Å; N261-N285 PolarHBondContact N-OD1 2.7Å; N261-N285 PolarHBondContact O-OD1 2.67Å; N262-N285 PolarHBondContact N-OD1 3.36Å; L263-N285 HydrophobicContact CB-CB 4.35Å; L263-N285 WeakPolarHBondContact CB-OD1 3.29Å; L263-N285 WeakPolarHBondContact CG-OD1 3.21Å; L263-N285 PolarHBondContact N-OD1 2.73Å; L282-N285 PolarHBondContact O-ND2 2.78Å; E283-N285 PolarHBondContact O-N 3.03Å; E283-N285 PolarHBondContact O-ND2 3.08Å; N285-I287 HydrophobicContact CB-CD1 4.06Å; N285-I287 HydrophobicContact CB-CG1 3.89Å; N285-N309 VanDerWaalsContact CA-OD1 3.24Å; N285-N309 WeakPolarHBondContact CA-OD1 3.48Å; N285-N309 WeakPolarHBondContact CB-OD1 3.44Å; N285-N309 PolarHBondContact N-OD1 3.3Å; N285-N309 PolarHBondContact O-OD1 3.2Å
286	T	97.6	Very high	95.3	Very high	35 Å²	35	43 Å²	43	22%	0.215	21%	0.214	C	C	.	.			trans	-112.8	28.8	176	46	0	0	0	0	111.3	N262 L263 S288 N309	N262-T286 VanDerWaalsContact OD1-CG2 3.28Å; N262-T286 WeakPolarHBondContact OD1-CG2 3.46Å; N262-T286 PolarHBondContact OD1-OG1 3.06Å; L263-T286 CarbonylContact O-C 3.56Å; L263-T286 WeakPolarHBondContact O-CA 3.02Å; L263-T286 PolarHBondContact O-N 3.13Å; L263-T286 PolarHBondContact O-OG1 2.64Å; T286-S288 PolarHBondContact O-N 2.84Å; T286-N309 PolarHBondContact N-OD1 3.07Å
287	I	97.9	Very high	94.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.			trans	-65.3	120	-172.5	-61.9	169.7	0	0	0	109.6	L263 T264 V266 L282 N285 R289 L306 N309 H310 L311	L263-I287 HydrophobicContact CB-CG1 4.38Å; L263-I287 VanDerWaalsContact O-CG1 3.3Å; L263-I287 WeakPolarHBondContact O-CG1 3.33Å; L263-I287 PolarHBondContact O-N 3.4Å; T264-I287 WeakPolarHBondContact O-CA 3.18Å; V266-I287 HydrophobicContact CG2-CD1 3.97Å; V266-I287 HydrophobicContact CG2-CG2 4.09Å; L282-I287 HydrophobicContact CB-CD1 3.85Å; L282-I287 HydrophobicContact CD1-CD1 4.24Å; L282-I287 HydrophobicContact CD2-CD1 4.22Å; L282-I287 HydrophobicContact CG-CD1 4.34Å; N285-I287 HydrophobicContact CB-CD1 4.06Å; N285-I287 HydrophobicContact CB-CG1 3.89Å; I287-R289 WeakPolarHBondContact CG2-O 3.28Å; I287-L306 HydrophobicContact CD1-CD2 4.1Å; I287-N309 HydrophobicContact CB-CB 4.15Å; I287-N309 VanDerWaalsContact CB-OD1 3.26Å; I287-N309 WeakPolarHBondContact CB-OD1 3.48Å; I287-N309 WeakPolarHBondContact CG1-OD1 3.45Å; I287-N309 PolarHBondContact N-OD1 3.17Å; I287-H310 CarbonylContact O-C 3.38Å; I287-H310 VanDerWaalsContact O-CA 3.28Å; I287-H310 WeakPolarHBondContact O-CA 3.46Å; I287-H310 PolarHBondContact O-N 3Å; I287-L311 HydrophobicContact CG2-CD2 4.07Å; I287-L311 PolarHBondContact O-N 2.8Å; I287-L311 VanDerWaalsContact O-N 3.15Å
288	S	96.4	Very high	94.5	Very high	54 Å²	54	43.4 Å²	43.4	38%	0.378	22%	0.216	S	C	.	.			trans	-111.5	-17.3	-178.5	56	0	0	0	0	113.5	T264 T286	T264-S288 PolarHBondContact O-N 3.46Å; T264-S288 PolarHBondContact O-OG 2.98Å; T264-S288 VanDerWaalsContact O-OG 3.12Å; T286-S288 PolarHBondContact O-N 2.84Å
289	R	94.5	Very high	94.1	Very high	131 Å²	131	44.6 Å²	44.6	49%	0.494	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	155.4	177.7	75.6	-175.9	89.3	111	-3.7	112.5	E265 V266 I287	E265-R289 WeakPolarHBondContact CA-O 3.33Å; E265-R289 HydrophobicContact CB-CG 3.56Å; E265-R289 IonicContact OE1-NH1 3.68Å; E265-R289 PolarHBondContact OE1-NH1 3.22Å; E265-R289 WeakPolarHBondContact OE2-CD 3.5Å; E265-R289 IonicContact OE2-CZ 2.75Å; E265-R289 IonicContact OE2-NE 3.99Å; E265-R289 IonicContact OE2-NH1 3.8Å; E265-R289 PolarHBondContact OE2-NH1 2.87Å; V266-R289 PolarHBondContact N-O 2.73Å; I287-R289 WeakPolarHBondContact CG2-O 3.28Å
290	I	95.4	Very high	94	Very high	24 Å²	24	47 Å²	47	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130	163.2	-56	167.3	0	0	0	105.8	T294 W295 L306 L311 F319	I290-T294 HydrophobicContact CG2-CG2 4.34Å; I290-W295 HydrophobicContact CD1-CZ2 4.35Å; I290-W295 HydrophobicContact CG2-CZ2 3.79Å; I290-L306 HydrophobicContact CD1-CD1 3.89Å; I290-L311 HydrophobicContact CG1-CD2 4.29Å; I290-F319 HydrophobicContact CD1-CE1 3.88Å; I290-F319 HydrophobicContact CD1-CZ 4.26Å
291	Q	91.3	Very high	93.9	Very high	68 Å²	68	47 Å²	47	32%	0.318	23%	0.231	S	C	.	.			trans	-76	151.6	179.1	-66	-175.6	1.4	0	0	111.6	E265 V266 S267 T294	E265-Q291 VanDerWaalsContact CD-NE2 3.29Å; E265-Q291 PolarHBondContact OE2-NE2 2.85Å; V266-Q291 WeakPolarHBondContact O-CG 3.47Å; V266-Q291 PolarHBondContact O-N 2.75Å; S267-Q291 VanDerWaalsContact CB-CD 3.4Å; Q291-T294 VanDerWaalsContact O-CB 3.31Å; Q291-T294 WeakPolarHBondContact O-CB 3.49Å; Q291-T294 PolarHBondContact O-N 3.12Å; Q291-T294 PolarHBondContact O-OG1 3.09Å
292	P	88.2	Confident	93.9	Very high	92 Å²	92	46.8 Å²	46.8	60%	0.597	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	148.7	172.7	-25.2	35	0	0	0	112.9	T294	P292-T294 PolarHBondContact O-N 3.28Å
293	E	86.7	Confident	93.9	Very high	78 Å²	78	49 Å²	49	36%	0.364	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	5.7	-178.6	-49.4	-158.5	151	0	0	117.5	K268 W295 K296	K268-E293 HydrophobicContact CD-CB 4.34Å; K268-E293 IonicContact NZ-OE2 3.85Å; K268-E293 PolarHBondContact NZ-OE2 3.37Å; E293-W295 PolarHBondContact O-N 2.87Å; E293-K296 HydrophobicContact CB-CD 3.96Å; E293-K296 HydrophobicContact CB-CG 4.2Å; E293-K296 HydrophobicContact CG-CD 4.2Å; E293-K296 PolarHBondContact O-N 3.1Å; E293-K296 VanDerWaalsContact O-N 3.1Å; E293-K296 IonicContact OE1-NZ 2.72Å; E293-K296 PolarHBondContact OE1-NZ 3.39Å; E293-K296 IonicContact OE2-NZ 2.78Å
294	T	90.8	Very high	93.9	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.006	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-44.8	-44.1	-175.1	-74.5	0	0	0	0	113.1	V266 L271 I290 Q291 P292 C297	V266-T294 HydrophobicContact CB-CG2 4.35Å; V266-T294 HydrophobicContact CG1-CG2 3.63Å; L271-T294 HydrophobicContact CD1-CG2 3.54Å; I290-T294 HydrophobicContact CG2-CG2 4.34Å; Q291-T294 VanDerWaalsContact O-CB 3.31Å; Q291-T294 WeakPolarHBondContact O-CB 3.49Å; Q291-T294 PolarHBondContact O-N 3.12Å; Q291-T294 PolarHBondContact O-OG1 3.09Å; P292-T294 PolarHBondContact O-N 3.28Å; T294-C297 PolarHBondContact O-SG 2.84Å
295	W	92.9	Very high	93.9	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-86.9	-4.1	-170.6	-43.8	113.4	0	0	0	115.6	V266 L271 L280 I290 E293 C297 C298 L301 L304 S318 D320 L322	V266-W295 HydrophobicContact CG1-CH2 3.79Å; V266-W295 HydrophobicContact CG1-CZ2 4.45Å; V266-W295 HydrophobicContact CG1-CZ3 4.17Å; L271-W295 HydrophobicContact CD1-CE3 4.05Å; L271-W295 HydrophobicContact CD1-CZ3 3.89Å; L280-W295 HydrophobicContact CD2-CH2 4.34Å; L280-W295 HydrophobicContact CD2-CZ3 3.79Å; I290-W295 HydrophobicContact CD1-CZ2 4.35Å; I290-W295 HydrophobicContact CG2-CZ2 3.79Å; E293-W295 PolarHBondContact O-N 2.87Å; W295-C297 PolarHBondContact O-N 3.22Å; W295-C298 PolarHBondContact O-N 3.09Å; W295-L301 HydrophobicContact CE3-CD2 4.49Å; W295-L304 HydrophobicContact CH2-CD1 3.91Å; W295-L304 HydrophobicContact CH2-CD2 3.81Å; W295-L304 HydrophobicContact CZ2-CD2 3.79Å; W295-L304 HydrophobicContact CZ3-CD1 4.33Å; W295-L304 HydrophobicContact CZ3-CD2 4.41Å; W295-S318 PolarHBondContact NE1-O 2.97Å; W295-D320 WeakPolarHBondContact CB-O 3.44Å; W295-L322 HydrophobicContact CB-CD1 4.2Å; W295-L322 HydrophobicContact CB-CD2 3.63Å; W295-L322 HydrophobicContact CB-CG 3.62Å; W295-L322 HydrophobicContact CD2-CD1 3.79Å; W295-L322 HydrophobicContact CD2-CD2 4.29Å; W295-L322 HydrophobicContact CD2-CG 4.21Å; W295-L322 HydrophobicContact CE3-CD1 4.44Å; W295-L322 HydrophobicContact CE3-CD2 4.47Å; W295-L322 HydrophobicContact CG-CD1 3.64Å; W295-L322 HydrophobicContact CG-CD2 3.94Å; W295-L322 HydrophobicContact CG-CG 3.64Å
296	K	88.4	Confident	93.9	Very high	89 Å²	89	44.3 Å²	44.3	39%	0.387	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-56.7	-20.8	-179.3	-71.5	-168.7	-179.6	-178.8	0	113.5	E293 Q299	E293-K296 HydrophobicContact CB-CD 3.96Å; E293-K296 HydrophobicContact CB-CG 4.2Å; E293-K296 HydrophobicContact CG-CD 4.2Å; E293-K296 PolarHBondContact O-N 3.1Å; E293-K296 VanDerWaalsContact O-N 3.1Å; E293-K296 IonicContact OE1-NZ 2.72Å; E293-K296 PolarHBondContact OE1-NZ 3.39Å; E293-K296 IonicContact OE2-NZ 2.78Å; K296-Q299 PolarHBondContact O-NE2 3.22Å
297	C	85.9	Confident	94	Very high	28 Å²	28	43.4 Å²	43.4	19%	0.189	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-92.6	-10	176.3	62	0	0	0	0	115.4	G275 T294 W295	G275-C297 WeakPolarHBondContact CA-O 3.38Å; T294-C297 PolarHBondContact O-SG 2.84Å; W295-C297 PolarHBondContact O-N 3.22Å
298	C	90.4	Very high	94	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.			trans	-123.9	37.5	-171.6	-63.8	0	0	0	0	112.6	W295 K300 L301	W295-C298 PolarHBondContact O-N 3.09Å; C298-K300 PolarHBondContact O-N 3.46Å; C298-L301 VanDerWaalsContact O-CB 3.25Å; C298-L301 WeakPolarHBondContact O-CB 3.38Å; C298-L301 PolarHBondContact O-N 2.79Å
299	Q	91	Very high	94.1	Very high	114 Å²	114	42.4 Å²	42.4	53%	0.533	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-11	-170.1	-60.6	175.2	17.7	0	0	115.3	K296	K296-Q299 PolarHBondContact O-NE2 3.22Å
300	K	95.6	Very high	94.2	Very high	125 Å²	125	40.2 Å²	40.2	54%	0.543	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4	176.1	-64.5	-172.3	-174.4	173	0	114.2	G275 L277 C298 G302	G275-K300 WeakPolarHBondContact O-CD 3.47Å; L277-K300 CarbonylContact O-C 3.57Å; C298-K300 PolarHBondContact O-N 3.46Å; K300-G302 PolarHBondContact O-N 3.12Å; K300-G302 VanDerWaalsContact O-N 3.09Å
301	L	97.2	Very high	94.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.201	C	C	.	.			trans	-68	107.8	-175.4	-171.1	76.2	0	0	0	110.6	L277 L280 W295 C298 K303 L304 L322 L325	L277-L301 HydrophobicContact CD2-CD1 4.03Å; L277-L301 HydrophobicContact CG-CD1 3.94Å; L277-L301 VanDerWaalsContact O-CA 3.22Å; L277-L301 WeakPolarHBondContact O-CA 3.45Å; L277-L301 PolarHBondContact O-N 2.72Å; L280-L301 HydrophobicContact CB-CD1 3.7Å; L280-L301 HydrophobicContact CB-CD2 4.44Å; W295-L301 HydrophobicContact CE3-CD2 4.49Å; C298-L301 VanDerWaalsContact O-CB 3.25Å; C298-L301 WeakPolarHBondContact O-CB 3.38Å; C298-L301 PolarHBondContact O-N 2.79Å; L301-K303 WeakPolarHBondContact CD1-O 3.47Å; L301-L304 HydrophobicContact CD2-CB 3.94Å; L301-L304 HydrophobicContact CD2-CD1 4.26Å; L301-L304 HydrophobicContact CD2-CD2 4.37Å; L301-L304 HydrophobicContact CD2-CG 4.42Å; L301-L322 HydrophobicContact CB-CD2 3.9Å; L301-L322 HydrophobicContact CD2-CD1 4.48Å; L301-L322 HydrophobicContact CD2-CD2 3.84Å; L301-L322 HydrophobicContact CG-CD2 4.47Å; L301-L325 HydrophobicContact CD2-CD1 4.31Å; L301-L325 HydrophobicContact CG-CD1 4.22Å; L301-L325 VanDerWaalsContact O-CA 3.23Å; L301-L325 WeakPolarHBondContact O-CA 3.42Å; L301-L325 WeakPolarHBondContact O-CD1 3.42Å; L301-L325 PolarHBondContact O-N 3.47Å
302	G	97.6	Very high	94.5	Very high	22 Å²	22	38.5 Å²	38.5	23%	0.227	20%	0.204	C	C	.	.			trans	-86.4	-24	174.6	0	0	0	0	0	113.6	Q278 K300 D326 E327	Q278-G302 PolarHBondContact O-N 2.82Å; K300-G302 PolarHBondContact O-N 3.12Å; K300-G302 VanDerWaalsContact O-N 3.09Å; G302-D326 WeakPolarHBondContact O-CA 3.42Å; G302-D326 WeakPolarHBondContact O-CB 3.29Å; G302-D326 PolarHBondContact O-N 3.1Å; G302-E327 PolarHBondContact O-N 3.25Å
303	K	98.6	Very high	94.7	Very high	46 Å²	46	38.5 Å²	38.5	20%	0.2	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	126.1	-179.9	-176.4	160.6	-171.5	154.1	0	113.4	Q278 Q279 L280 L301 E327 H329	Q278-K303 PolarHBondContact O-N 3.25Å; Q279-K303 WeakPolarHBondContact CA-O 3.23Å; Q279-K303 HydrophobicContact CB-CB 4.39Å; Q279-K303 HydrophobicContact CG-CB 4.17Å; L280-K303 PolarHBondContact N-O 2.87Å; L301-K303 WeakPolarHBondContact CD1-O 3.47Å; K303-E327 WeakPolarHBondContact CA-O 3.44Å; K303-E327 HydrophobicContact CB-CB 4.37Å; K303-E327 HydrophobicContact CD-CB 4.23Å; K303-E327 WeakPolarHBondContact CE-OE2 3.33Å; K303-E327 HydrophobicContact CG-CB 3.99Å; K303-E327 IonicContact NZ-OE1 3.7Å; K303-E327 PolarHBondContact NZ-OE1 3.26Å; K303-E327 IonicContact NZ-OE2 3.81Å; K303-E327 PolarHBondContact NZ-OE2 3.28Å; K303-H329 WeakPolarHBondContact CE-NE2 3.5Å; K303-H329 PolarHBondContact NZ-NE2 3.12Å
304	L	98.5	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.2	176.3	179.3	54.6	0	0	0	110.3	L280 W295 L301 L306 F319 L322 L325 E327 L328 H329	L280-L304 HydrophobicContact CB-CD1 4.18Å; L280-L304 HydrophobicContact CD2-CD1 4.04Å; L280-L304 HydrophobicContact CG-CD1 4.18Å; W295-L304 HydrophobicContact CH2-CD1 3.91Å; W295-L304 HydrophobicContact CH2-CD2 3.81Å; W295-L304 HydrophobicContact CZ2-CD2 3.79Å; W295-L304 HydrophobicContact CZ3-CD1 4.33Å; W295-L304 HydrophobicContact CZ3-CD2 4.41Å; L301-L304 HydrophobicContact CD2-CB 3.94Å; L301-L304 HydrophobicContact CD2-CD1 4.26Å; L301-L304 HydrophobicContact CD2-CD2 4.37Å; L301-L304 HydrophobicContact CD2-CG 4.42Å; L304-L306 HydrophobicContact CD1-CD1 4.32Å; L304-L306 HydrophobicContact CD1-CG 4.07Å; L304-L306 HydrophobicContact CD2-CD1 3.91Å; L304-L306 HydrophobicContact CG-CD1 4.02Å; L304-L306 HydrophobicContact CG-CG 4.12Å; L304-F319 HydrophobicContact CD2-CD1 4.16Å; L304-F319 HydrophobicContact CD2-CE1 4.09Å; L304-L322 HydrophobicContact CD2-CD1 4Å; L304-L325 HydrophobicContact CB-CD1 3.85Å; L304-E327 PolarHBondContact N-O 3.05Å; L304-L328 HydrophobicContact CB-CD1 4.09Å; L304-L328 HydrophobicContact CD2-CD1 3.99Å; L304-L328 HydrophobicContact CG-CD1 4.06Å; L304-H329 PolarHBondContact O-N 2.97Å
305	N	98.7	Very high	94.9	Very high	21 Å²	21	37.6 Å²	37.6	11%	0.112	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	107	175.2	-171.6	12.3	0	0	0	112	L280 L282 E283 S307 H329	L280-N305 PolarHBondContact O-N 2.65Å; L282-N305 CarbonylContact C-O 3.5Å; L282-N305 WeakPolarHBondContact CA-O 3.49Å; L282-N305 WeakPolarHBondContact CB-O 3.42Å; L282-N305 PolarHBondContact N-O 2.87Å; E283-N305 WeakPolarHBondContact CB-ND2 3.36Å; E283-N305 PolarHBondContact N-O 3.38Å; E283-N305 PolarHBondContact OE2-ND2 2.84Å; N305-S307 WeakPolarHBondContact OD1-CB 3.26Å; N305-S307 PolarHBondContact OD1-N 2.9Å; N305-S307 VanDerWaalsContact OD1-N 3.13Å; N305-S307 PolarHBondContact OD1-OG 2.66Å; N305-H329 HydrophobicContact CB-CB 4.38Å; N305-H329 VanDerWaalsContact OD1-CB 3.3Å; N305-H329 WeakPolarHBondContact OD1-CB 3.42Å
306	L	98.6	Very high	94.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.			trans	-111.5	12.6	175.6	-69.8	164.1	0	0	0	112	V266 L282 I287 I290 L304 N309 L311 F319 H329 N333	V266-L306 HydrophobicContact CG2-CD2 4.24Å; L282-L306 HydrophobicContact CB-CD2 4.06Å; L282-L306 HydrophobicContact CD1-CD2 3.8Å; I287-L306 HydrophobicContact CD1-CD2 4.1Å; I290-L306 HydrophobicContact CD1-CD1 3.89Å; L304-L306 HydrophobicContact CD1-CD1 4.32Å; L304-L306 HydrophobicContact CD1-CG 4.07Å; L304-L306 HydrophobicContact CD2-CD1 3.91Å; L304-L306 HydrophobicContact CG-CD1 4.02Å; L304-L306 HydrophobicContact CG-CG 4.12Å; L306-N309 WeakPolarHBondContact O-CB 3.47Å; L306-N309 PolarHBondContact O-ND2 3.3Å; L306-L311 HydrophobicContact CB-CD1 4.19Å; L306-L311 HydrophobicContact CD1-CD1 4.32Å; L306-F319 HydrophobicContact CD1-CE1 3.99Å; L306-H329 CarbonylContact C-O 3.53Å; L306-H329 WeakPolarHBondContact CA-O 3.48Å; L306-H329 PolarHBondContact N-O 3.35Å; L306-N333 PolarHBondContact O-ND2 2.95Å
307	S	98.6	Very high	94.5	Very high	16 Å²	16	40.6 Å²	40.6	11%	0.112	21%	0.21	C	C	.	.			trans	-63.2	155.4	-176.8	61.9	0	0	0	0	113.6	E283 H284 N305 N309 H329 G331	E283-S307 CarbonylContact C-O 3.45Å; E283-S307 WeakPolarHBondContact CA-O 3.35Å; E283-S307 WeakPolarHBondContact CB-O 3.37Å; E283-S307 WeakPolarHBondContact CB-OG 3.32Å; H284-S307 PolarHBondContact N-O 2.98Å; H284-S307 VanDerWaalsContact N-O 3.09Å; N305-S307 WeakPolarHBondContact OD1-CB 3.26Å; N305-S307 PolarHBondContact OD1-N 2.9Å; N305-S307 VanDerWaalsContact OD1-N 3.13Å; N305-S307 PolarHBondContact OD1-OG 2.66Å; S307-N309 PolarHBondContact O-ND2 3.18Å; S307-H329 PolarHBondContact N-O 3.24Å; S307-G331 CarbonylContact C-O 3.42Å; S307-G331 WeakPolarHBondContact CA-O 3.3Å; S307-G331 WeakPolarHBondContact CB-O 3.43Å
308	S	98.4	Very high	94.7	Very high	28 Å²	28	39.9 Å²	39.9	20%	0.196	21%	0.205	C	C	.	.	S	Bend	trans	55.8	53.7	-178.7	-57.1	0	0	0	0	113.6	H284 G331 N332	H284-S308 WeakPolarHBondContact CA-O 3.36Å; H284-S308 VanDerWaalsContact CE1-CB 3.45Å; H284-S308 WeakPolarHBondContact CE1-CB 3.08Å; H284-S308 PolarHBondContact CE1-OG 2.71Å; H284-S308 VanDerWaalsContact CE1-OG 3.23Å; H284-S308 PolarHBondContact N-O 2.99Å; H284-S308 VanDerWaalsContact ND1-CB 3.25Å; H284-S308 WeakPolarHBondContact ND1-CB 3.48Å; S308-G331 PolarHBondContact N-O 2.77Å; S308-N332 WeakPolarHBondContact CA-O 3.38Å; S308-N332 PolarHBondContact N-O 2.81Å
309	N	98.6	Very high	94.8	Very high	5 Å²	5	40 Å²	40	3%	0.027	21%	0.206	C	C	.	.	S	Bend	trans	-126.9	-157.5	178.4	-87.5	-76	0	0	0	110.3	L282 N285 T286 I287 L306 S307 N332 N333	L282-N309 PolarHBondContact O-ND2 3.49Å; N285-N309 VanDerWaalsContact CA-OD1 3.24Å; N285-N309 WeakPolarHBondContact CA-OD1 3.48Å; N285-N309 WeakPolarHBondContact CB-OD1 3.44Å; N285-N309 PolarHBondContact N-OD1 3.3Å; N285-N309 PolarHBondContact O-OD1 3.2Å; T286-N309 PolarHBondContact N-OD1 3.07Å; I287-N309 HydrophobicContact CB-CB 4.15Å; I287-N309 VanDerWaalsContact CB-OD1 3.26Å; I287-N309 WeakPolarHBondContact CB-OD1 3.48Å; I287-N309 WeakPolarHBondContact CG1-OD1 3.45Å; I287-N309 PolarHBondContact N-OD1 3.17Å; L306-N309 WeakPolarHBondContact O-CB 3.47Å; L306-N309 PolarHBondContact O-ND2 3.3Å; S307-N309 PolarHBondContact O-ND2 3.18Å; N309-N332 PolarHBondContact N-O 3Å; N309-N333 VanDerWaalsContact CA-OD1 3.24Å; N309-N333 WeakPolarHBondContact CA-OD1 2.95Å; N309-N333 WeakPolarHBondContact CB-OD1 3.4Å; N309-N333 PolarHBondContact N-OD1 3.38Å; N309-N333 PolarHBondContact O-OD1 2.92Å
310	H	97.9	Very high	94.7	Very high	86 Å²	86	38.3 Å²	38.3	40%	0.398	20%	0.2	S	C	.	.			trans	-124.5	25.2	-177.5	-62.5	-11.9	0	0	0	112.7	I287 S312 N333	I287-H310 CarbonylContact O-C 3.38Å; I287-H310 VanDerWaalsContact O-CA 3.28Å; I287-H310 WeakPolarHBondContact O-CA 3.46Å; I287-H310 PolarHBondContact O-N 3Å; H310-S312 PolarHBondContact O-N 2.92Å; H310-N333 PolarHBondContact N-OD1 2.94Å
311	L	97.5	Very high	94.3	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	19%	0.187	C	C	.	.			trans	-66.1	128.4	175.2	-64.3	169.2	0	0	0	109.8	I287 I290 L306 V330 N333 R334 V335	I287-L311 HydrophobicContact CG2-CD2 4.07Å; I287-L311 PolarHBondContact O-N 2.8Å; I287-L311 VanDerWaalsContact O-N 3.15Å; I290-L311 HydrophobicContact CG1-CD2 4.29Å; L306-L311 HydrophobicContact CB-CD1 4.19Å; L306-L311 HydrophobicContact CD1-CD1 4.32Å; L311-V330 HydrophobicContact CD1-CG1 3.86Å; L311-N333 HydrophobicContact CB-CB 4.27Å; L311-N333 WeakPolarHBondContact CB-OD1 3.38Å; L311-N333 PolarHBondContact N-OD1 3.44Å; L311-R334 CarbonylContact O-C 3.49Å; L311-R334 VanDerWaalsContact O-C 3.24Å; L311-R334 WeakPolarHBondContact O-CA 3.33Å; L311-R334 PolarHBondContact O-N 3.03Å; L311-V335 HydrophobicContact CB-CG2 4.21Å; L311-V335 WeakPolarHBondContact O-CG2 3.34Å; L311-V335 PolarHBondContact O-N 2.87Å
312	S	94.4	Very high	94.1	Very high	54 Å²	54	33.5 Å²	33.5	38%	0.378	19%	0.187	S	C	.	.			trans	-110.1	-18.3	178.3	56.1	0	0	0	0	114.4	H310 R334 V335 S336	H310-S312 PolarHBondContact O-N 2.92Å; S312-R334 WeakPolarHBondContact CA-O 3.39Å; S312-V335 WeakPolarHBondContact O-CA 3.46Å; S312-S336 PolarHBondContact O-N 3.4Å
313	R	91.5	Very high	93.9	Very high	91 Å²	91	35.2 Å²	35.2	34%	0.343	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.7	-174.9	-57.4	179.1	58.2	135.1	-2.7	110.4	E315 F337 E527	R313-E315 IonicContact CZ-OE1 3.58Å; R313-E315 IonicContact NE-OE1 2.63Å; R313-E315 PolarHBondContact NE-OE1 2.84Å; R313-E315 IonicContact NH2-OE1 1.94Å; R313-E315 PolarHBondContact NH2-OE1 2.95Å; R313-E315 IonicContact NH2-OE2 3.98Å; R313-F337 WeakPolarHBondContact CA-O 3.42Å; R313-F337 HydrophobicContact CB-CB 4.49Å; R313-F337 HydrophobicContact CB-CD1 4.2Å; R313-F337 HydrophobicContact CG-CB 4.16Å; R313-F337 HydrophobicContact CG-CD1 4.45Å; R313-E527 IonicContact CZ-OE1 2.75Å; R313-E527 IonicContact NH1-OE1 2.75Å; R313-E527 PolarHBondContact NH1-OE1 2.9Å; R313-E527 IonicContact NH1-OE2 2.66Å; R313-E527 IonicContact NH2-OE1 3.72Å; R313-E527 PolarHBondContact NH2-OE1 3.34Å
314	L	92.4	Very high	93.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116	167.5	-60.2	177.2	0	0	0	108.6	F319 V330 V335 F337 I338 A339 A342 F343 L354	L314-F319 HydrophobicContact CD1-CE2 4.25Å; L314-F319 HydrophobicContact CD2-CE2 3.86Å; L314-F319 HydrophobicContact CD2-CZ 3.85Å; L314-F319 HydrophobicContact CG-CE2 4.5Å; L314-V330 HydrophobicContact CD2-CG1 4.48Å; L314-V335 HydrophobicContact CD1-CG1 4.12Å; L314-V335 HydrophobicContact CG-CG1 4.01Å; L314-V335 HydrophobicContact CG-CG2 4.38Å; L314-F337 PolarHBondContact N-O 3.05Å; L314-I338 HydrophobicContact CB-CG1 4.39Å; L314-I338 HydrophobicContact CB-CG2 4.26Å; L314-I338 HydrophobicContact CD1-CD1 4.24Å; L314-I338 HydrophobicContact CD1-CG1 4.2Å; L314-I338 CarbonylContact O-C 3.57Å; L314-I338 WeakPolarHBondContact O-CA 3.46Å; L314-A339 PolarHBondContact O-N 2.93Å; L314-A342 HydrophobicContact CB-CB 4.19Å; L314-F343 HydrophobicContact CD1-CE1 4.15Å; L314-F343 HydrophobicContact CD1-CZ 3.98Å; L314-L354 HydrophobicContact CD1-CD2 4.24Å
315	E	89.4	Confident	93.7	Very high	61 Å²	61	37.5 Å²	37.5	29%	0.285	21%	0.209	S	C	.	.			trans	-99	164.2	-177.5	-56.9	-57.6	154.1	0	0	111.7	R313 S317 S318 F337	R313-E315 IonicContact CZ-OE1 3.58Å; R313-E315 IonicContact NE-OE1 2.63Å; R313-E315 PolarHBondContact NE-OE1 2.84Å; R313-E315 IonicContact NH2-OE1 1.94Å; R313-E315 PolarHBondContact NH2-OE1 2.95Å; R313-E315 IonicContact NH2-OE2 3.98Å; E315-S317 PolarHBondContact O-N 3.32Å; E315-S317 VanDerWaalsContact O-N 3.09Å; E315-S318 PolarHBondContact N-OG 3.01Å; E315-S318 VanDerWaalsContact O-CB 3.25Å; E315-S318 WeakPolarHBondContact O-CB 3.42Å; E315-S318 PolarHBondContact O-N 2.95Å; E315-S318 PolarHBondContact O-OG 2.77Å; E315-F337 WeakPolarHBondContact OE1-CE1 3.39Å; E315-F337 WeakPolarHBondContact OE2-CE1 3.39Å
316	E	87.5	Confident	93.7	Very high	94 Å²	94	39 Å²	39	44%	0.439	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.4	179.5	-172.1	172.5	-164.6	0	0	112.8	R344	E316-R344 VanDerWaalsContact OE1-CD 3.26Å; E316-R344 WeakPolarHBondContact OE1-CD 3.43Å; E316-R344 IonicContact OE1-CZ 3.28Å; E316-R344 IonicContact OE1-NE 2.66Å; E316-R344 IonicContact OE1-NH1 3.72Å; E316-R344 PolarHBondContact OE1-NH1 2.92Å
317	S	85.7	Confident	93.7	Very high	59 Å²	59	41.3 Å²	41.3	41%	0.413	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.8	179.4	59.7	0	0	0	0	115.3	E315 F319	E315-S317 PolarHBondContact O-N 3.32Å; E315-S317 VanDerWaalsContact O-N 3.09Å; S317-F319 VanDerWaalsContact C-N 3.28Å; S317-F319 PolarHBondContact O-N 3.45Å
318	S	90.6	Very high	93.7	Very high	13 Å²	13	40.6 Å²	40.6	9%	0.091	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-26	-171.7	-70.8	0	0	0	0	114.4	W295 E315	W295-S318 PolarHBondContact NE1-O 2.97Å; E315-S318 PolarHBondContact N-OG 3.01Å; E315-S318 VanDerWaalsContact O-CB 3.25Å; E315-S318 WeakPolarHBondContact O-CB 3.42Å; E315-S318 PolarHBondContact O-N 2.95Å; E315-S318 PolarHBondContact O-OG 2.77Å
319	F	93.2	Very high	93.7	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.009	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	17.3	179.3	-54.8	-65.9	0	0	0	113.4	I290 L304 L306 L314 S317 L322 L328 V330 F343 L346	I290-F319 HydrophobicContact CD1-CE1 3.88Å; I290-F319 HydrophobicContact CD1-CZ 4.26Å; L304-F319 HydrophobicContact CD2-CD1 4.16Å; L304-F319 HydrophobicContact CD2-CE1 4.09Å; L306-F319 HydrophobicContact CD1-CE1 3.99Å; L314-F319 HydrophobicContact CD1-CE2 4.25Å; L314-F319 HydrophobicContact CD2-CE2 3.86Å; L314-F319 HydrophobicContact CD2-CZ 3.85Å; L314-F319 HydrophobicContact CG-CE2 4.5Å; S317-F319 VanDerWaalsContact C-N 3.28Å; S317-F319 PolarHBondContact O-N 3.45Å; F319-L322 HydrophobicContact CB-CD1 4.21Å; F319-L322 HydrophobicContact CD1-CD1 4.21Å; F319-L322 WeakPolarHBondContact O-CB 3.49Å; F319-L322 PolarHBondContact O-N 2.77Å; F319-L328 HydrophobicContact CD1-CD1 4.45Å; F319-L328 HydrophobicContact CD1-CD2 4.35Å; F319-L328 HydrophobicContact CD2-CD2 4.16Å; F319-L328 HydrophobicContact CE1-CD1 3.9Å; F319-L328 HydrophobicContact CE1-CD2 4.18Å; F319-L328 HydrophobicContact CE2-CD2 3.98Å; F319-L328 HydrophobicContact CG-CD2 4.35Å; F319-L328 HydrophobicContact CZ-CD1 4.18Å; F319-L328 HydrophobicContact CZ-CD2 3.99Å; F319-V330 HydrophobicContact CZ-CG2 4.32Å; F319-F343 HydrophobicContact CD2-CD1 4.21Å; F319-F343 HydrophobicContact CD2-CE1 4.37Å; F319-F343 HydrophobicContact CE2-CD1 4.37Å; F319-F343 HydrophobicContact CE2-CE1 4.06Å; F319-L346 HydrophobicContact CB-CD1 3.98Å; F319-L346 HydrophobicContact CB-CD2 3.99Å; F319-L346 HydrophobicContact CB-CG 4.36Å; F319-L346 HydrophobicContact CD2-CD1 4.39Å; F319-L346 HydrophobicContact CG-CD1 4.36Å
320	D	89.1	Confident	93.7	Very high	78 Å²	78	40.9 Å²	40.9	42%	0.417	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	138.9	179.5	177.2	40.4	0	0	0	112.1	W295	W295-D320 WeakPolarHBondContact CB-O 3.44Å
321	G	86.8	Confident	93.7	Very high	25 Å²	25	36.8 Å²	36.8	26%	0.258	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-4.4	-176.3	0	0	0	0	0	116.4	S323	G321-S323 VanDerWaalsContact C-N 3.33Å; G321-S323 PolarHBondContact O-N 2.85Å
322	L	93.6	Very high	93.7	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.217	C	C	.	.			trans	-89.6	46.3	-178.7	-68.3	179.7	0	0	0	114	W295 L301 L304 F319 L324 L325 L346	W295-L322 HydrophobicContact CB-CD1 4.2Å; W295-L322 HydrophobicContact CB-CD2 3.63Å; W295-L322 HydrophobicContact CB-CG 3.62Å; W295-L322 HydrophobicContact CD2-CD1 3.79Å; W295-L322 HydrophobicContact CD2-CD2 4.29Å; W295-L322 HydrophobicContact CD2-CG 4.21Å; W295-L322 HydrophobicContact CE3-CD1 4.44Å; W295-L322 HydrophobicContact CE3-CD2 4.47Å; W295-L322 HydrophobicContact CG-CD1 3.64Å; W295-L322 HydrophobicContact CG-CD2 3.94Å; W295-L322 HydrophobicContact CG-CG 3.64Å; L301-L322 HydrophobicContact CB-CD2 3.9Å; L301-L322 HydrophobicContact CD2-CD1 4.48Å; L301-L322 HydrophobicContact CD2-CD2 3.84Å; L301-L322 HydrophobicContact CG-CD2 4.47Å; L304-L322 HydrophobicContact CD2-CD1 4Å; F319-L322 HydrophobicContact CB-CD1 4.21Å; F319-L322 HydrophobicContact CD1-CD1 4.21Å; F319-L322 WeakPolarHBondContact O-CB 3.49Å; F319-L322 PolarHBondContact O-N 2.77Å; L322-L324 VanDerWaalsContact C-N 3.26Å; L322-L324 PolarHBondContact O-N 2.8Å; L322-L325 HydrophobicContact CB-CB 4.15Å; L322-L325 HydrophobicContact CB-CD2 4.37Å; L322-L325 HydrophobicContact CD1-CD2 4.16Å; L322-L325 WeakPolarHBondContact O-CB 3.47Å; L322-L325 PolarHBondContact O-N 2.72Å; L322-L325 VanDerWaalsContact O-N 3.12Å; L322-L346 HydrophobicContact CB-CD2 3.66Å; L322-L346 WeakPolarHBondContact O-CD2 3.22Å
323	S	92.9	Very high	93.9	Very high	58 Å²	58	37.7 Å²	37.7	41%	0.406	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.2	-172.6	58.8	0	0	0	0	115.9	G321 G345 N348	G321-S323 VanDerWaalsContact C-N 3.33Å; G321-S323 PolarHBondContact O-N 2.85Å; S323-G345 WeakPolarHBondContact CA-O 3.15Å; S323-N348 VanDerWaalsContact O-CB 3.29Å; S323-N348 WeakPolarHBondContact O-CB 3.19Å
324	L	95.7	Very high	94.1	Very high	93 Å²	93	40 Å²	40	49%	0.487	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1	175.3	-64	179.4	0	0	0	113.8	L322 D326	L322-L324 VanDerWaalsContact C-N 3.26Å; L322-L324 PolarHBondContact O-N 2.8Å; L324-D326 PolarHBondContact O-N 3.07Å
325	L	97.3	Very high	94.3	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.			trans	-64.2	133.3	-179	-165.7	71.7	0	0	0	111.1	L301 L304 L322 L328 L346 N348 L349	L301-L325 HydrophobicContact CD2-CD1 4.31Å; L301-L325 HydrophobicContact CG-CD1 4.22Å; L301-L325 VanDerWaalsContact O-CA 3.23Å; L301-L325 WeakPolarHBondContact O-CA 3.42Å; L301-L325 WeakPolarHBondContact O-CD1 3.42Å; L301-L325 PolarHBondContact O-N 3.47Å; L304-L325 HydrophobicContact CB-CD1 3.85Å; L322-L325 HydrophobicContact CB-CB 4.15Å; L322-L325 HydrophobicContact CB-CD2 4.37Å; L322-L325 HydrophobicContact CD1-CD2 4.16Å; L322-L325 WeakPolarHBondContact O-CB 3.47Å; L322-L325 PolarHBondContact O-N 2.72Å; L322-L325 VanDerWaalsContact O-N 3.12Å; L325-L328 HydrophobicContact CD2-CB 3.94Å; L325-L328 HydrophobicContact CD2-CD1 4.29Å; L325-L328 HydrophobicContact CD2-CD2 4.23Å; L325-L328 HydrophobicContact CD2-CG 4.38Å; L325-L346 HydrophobicContact CB-CD2 4.49Å; L325-L346 HydrophobicContact CD2-CD2 4.26Å; L325-N348 CarbonylContact O-C 3.45Å; L325-L349 HydrophobicContact CB-CD1 4.37Å; L325-L349 HydrophobicContact CD2-CD1 4.01Å; L325-L349 HydrophobicContact CG-CD1 3.9Å; L325-L349 WeakPolarHBondContact O-CA 3.41Å; L325-L349 PolarHBondContact O-N 3.1Å; L325-L349 VanDerWaalsContact O-N 3.1Å
326	D	97.4	Very high	94.3	Very high	53 Å²	53	39.1 Å²	39.1	28%	0.283	21%	0.212	S	C	.	.			trans	-116.9	-40	-173.9	-167.9	21.4	0	0	0	111.5	G302 L324 Q350 M351	G302-D326 WeakPolarHBondContact O-CA 3.42Å; G302-D326 WeakPolarHBondContact O-CB 3.29Å; G302-D326 PolarHBondContact O-N 3.1Å; L324-D326 PolarHBondContact O-N 3.07Å; D326-Q350 PolarHBondContact O-N 3.26Å; D326-Q350 VanDerWaalsContact OD1-CB 3.26Å; D326-Q350 WeakPolarHBondContact OD1-CB 3.38Å; D326-Q350 VanDerWaalsContact OD1-CD 3.27Å; D326-Q350 WeakPolarHBondContact OD1-CG 3.46Å; D326-Q350 PolarHBondContact OD1-NE2 2.83Å; D326-Q350 PolarHBondContact OD2-NE2 3.36Å; D326-M351 PolarHBondContact O-N 2.84Å
327	E	98.4	Very high	94.2	Very high	49 Å²	49	35.5 Å²	35.5	23%	0.229	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123.8	174.6	-65.5	-168.6	-121.4	0	0	112.4	G302 K303 L304 H329 M351	G302-E327 PolarHBondContact O-N 3.25Å; K303-E327 WeakPolarHBondContact CA-O 3.44Å; K303-E327 HydrophobicContact CB-CB 4.37Å; K303-E327 HydrophobicContact CD-CB 4.23Å; K303-E327 WeakPolarHBondContact CE-OE2 3.33Å; K303-E327 HydrophobicContact CG-CB 3.99Å; K303-E327 IonicContact NZ-OE1 3.7Å; K303-E327 PolarHBondContact NZ-OE1 3.26Å; K303-E327 IonicContact NZ-OE2 3.81Å; K303-E327 PolarHBondContact NZ-OE2 3.28Å; L304-E327 PolarHBondContact N-O 3.05Å; E327-H329 WeakPolarHBondContact CB-NE2 3.44Å; E327-H329 IonicContact OE1-NE2 3.13Å; E327-H329 IonicContact OE2-CE1 2.72Å; E327-H329 IonicContact OE2-NE2 2.73Å; E327-H329 PolarHBondContact OE2-NE2 3.46Å; E327-M351 HydrophobicContact CG-CB 4.43Å; E327-M351 HydrophobicContact CG-CE 3.93Å; E327-M351 WeakPolarHBondContact OE2-CE 3.14Å
328	L	98.5	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.3	175	178.1	53.9	0	0	0	110.9	L304 F319 L325 V330 F343 L346 L349 M351 L352 D353	L304-L328 HydrophobicContact CB-CD1 4.09Å; L304-L328 HydrophobicContact CD2-CD1 3.99Å; L304-L328 HydrophobicContact CG-CD1 4.06Å; F319-L328 HydrophobicContact CD1-CD1 4.45Å; F319-L328 HydrophobicContact CD1-CD2 4.35Å; F319-L328 HydrophobicContact CD2-CD2 4.16Å; F319-L328 HydrophobicContact CE1-CD1 3.9Å; F319-L328 HydrophobicContact CE1-CD2 4.18Å; F319-L328 HydrophobicContact CE2-CD2 3.98Å; F319-L328 HydrophobicContact CG-CD2 4.35Å; F319-L328 HydrophobicContact CZ-CD1 4.18Å; F319-L328 HydrophobicContact CZ-CD2 3.99Å; L325-L328 HydrophobicContact CD2-CB 3.94Å; L325-L328 HydrophobicContact CD2-CD1 4.29Å; L325-L328 HydrophobicContact CD2-CD2 4.23Å; L325-L328 HydrophobicContact CD2-CG 4.38Å; L328-V330 HydrophobicContact CD1-CG2 3.91Å; L328-V330 HydrophobicContact CD2-CG2 4.45Å; L328-V330 HydrophobicContact CG-CG2 3.9Å; L328-F343 HydrophobicContact CD2-CD1 4.44Å; L328-F343 HydrophobicContact CD2-CE1 4.32Å; L328-L346 HydrophobicContact CD2-CD1 4.07Å; L328-L349 HydrophobicContact CB-CD1 3.7Å; L328-L349 HydrophobicContact CB-CD2 4.21Å; L328-L349 HydrophobicContact CD2-CD2 4.43Å; L328-M351 PolarHBondContact N-O 2.84Å; L328-L352 HydrophobicContact CB-CD1 4.18Å; L328-L352 HydrophobicContact CD2-CD1 4.01Å; L328-L352 HydrophobicContact CG-CD1 3.99Å; L328-L352 WeakPolarHBondContact O-CA 3.39Å; L328-D353 PolarHBondContact O-N 3.11Å
329	H	98.7	Very high	94.1	Very high	40 Å²	40	32.7 Å²	32.7	19%	0.185	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.2	177.3	-54.8	-100.9	0	0	0	111	K303 L304 N305 L306 S307 E327 M351 D353	K303-H329 WeakPolarHBondContact CE-NE2 3.5Å; K303-H329 PolarHBondContact NZ-NE2 3.12Å; L304-H329 PolarHBondContact O-N 2.97Å; N305-H329 HydrophobicContact CB-CB 4.38Å; N305-H329 VanDerWaalsContact OD1-CB 3.3Å; N305-H329 WeakPolarHBondContact OD1-CB 3.42Å; L306-H329 CarbonylContact C-O 3.53Å; L306-H329 WeakPolarHBondContact CA-O 3.48Å; L306-H329 PolarHBondContact N-O 3.35Å; S307-H329 PolarHBondContact N-O 3.24Å; E327-H329 WeakPolarHBondContact CB-NE2 3.44Å; E327-H329 IonicContact OE1-NE2 3.13Å; E327-H329 IonicContact OE2-CE1 2.72Å; E327-H329 IonicContact OE2-NE2 2.73Å; E327-H329 PolarHBondContact OE2-NE2 3.46Å; H329-M351 WeakPolarHBondContact CE1-CE 3.33Å; H329-M351 PolarHBondContact CE1-SD 2.92Å; H329-M351 WeakPolarHBondContact NE2-CE 3.39Å; H329-D353 HydrophobicContact CB-CB 4.4Å
330	V	98.2	Very high	93.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.			trans	-126.3	8.9	175.1	-153.9	0	0	0	0	111.2	L311 L314 F319 L328 N333 V335 D353 L354 N357	L311-V330 HydrophobicContact CD1-CG1 3.86Å; L314-V330 HydrophobicContact CD2-CG1 4.48Å; F319-V330 HydrophobicContact CZ-CG2 4.32Å; L328-V330 HydrophobicContact CD1-CG2 3.91Å; L328-V330 HydrophobicContact CD2-CG2 4.45Å; L328-V330 HydrophobicContact CG-CG2 3.9Å; V330-N333 WeakPolarHBondContact O-CB 3.26Å; V330-N333 PolarHBondContact O-ND2 3.12Å; V330-V335 HydrophobicContact CG1-CG2 4.32Å; V330-D353 CarbonylContact C-O 3.59Å; V330-D353 WeakPolarHBondContact CA-O 3.18Å; V330-D353 PolarHBondContact N-O 3.49Å; V330-L354 HydrophobicContact CB-CD2 4.16Å; V330-L354 HydrophobicContact CG2-CD2 4.48Å; V330-N357 PolarHBondContact O-ND2 2.92Å; V330-N357 VanDerWaalsContact O-ND2 3.09Å
331	G	98	Very high	93.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.192	C	C	.	.			trans	-61.6	153.7	-179.6	0	0	0	0	0	114.5	S307 S308 D353 Q355	S307-G331 CarbonylContact C-O 3.42Å; S307-G331 WeakPolarHBondContact CA-O 3.3Å; S307-G331 WeakPolarHBondContact CB-O 3.43Å; S308-G331 PolarHBondContact N-O 2.77Å; G331-D353 PolarHBondContact N-O 2.98Å; G331-Q355 CarbonylContact C-O 3.39Å; G331-Q355 WeakPolarHBondContact CA-O 3.41Å
332	N	98.3	Very high	93.2	Very high	63 Å²	63	31.3 Å²	31.3	34%	0.337	18%	0.18	S	C	.	.	S	Bend	trans	62.7	40.4	-177.6	-44.8	-92.1	0	0	0	112.9	S308 N309 Q355 N356	S308-N332 WeakPolarHBondContact CA-O 3.38Å; S308-N332 PolarHBondContact N-O 2.81Å; N309-N332 PolarHBondContact N-O 3Å; N332-Q355 PolarHBondContact N-O 2.89Å; N332-N356 VanDerWaalsContact CA-O 3.24Å; N332-N356 WeakPolarHBondContact CA-O 3.38Å; N332-N356 HydrophobicContact CB-CB 4.49Å; N332-N356 PolarHBondContact N-O 3.06Å; N332-N356 WeakPolarHBondContact OD1-CB 3.21Å; N332-N356 PolarHBondContact OD1-ND2 3.22Å
333	N	98.5	Very high	93.1	Very high	11 Å²	11	31.3 Å²	31.3	6%	0.059	18%	0.18	C	C	.	.	S	Bend	trans	-109.1	-153.7	171.8	-87	-86.1	0	0	0	109.1	L306 N309 H310 L311 V330 V335 N357	L306-N333 PolarHBondContact O-ND2 2.95Å; N309-N333 VanDerWaalsContact CA-OD1 3.24Å; N309-N333 WeakPolarHBondContact CA-OD1 2.95Å; N309-N333 WeakPolarHBondContact CB-OD1 3.4Å; N309-N333 PolarHBondContact N-OD1 3.38Å; N309-N333 PolarHBondContact O-OD1 2.92Å; H310-N333 PolarHBondContact N-OD1 2.94Å; L311-N333 HydrophobicContact CB-CB 4.27Å; L311-N333 WeakPolarHBondContact CB-OD1 3.38Å; L311-N333 PolarHBondContact N-OD1 3.44Å; V330-N333 WeakPolarHBondContact O-CB 3.26Å; V330-N333 PolarHBondContact O-ND2 3.12Å; N333-V335 HydrophobicContact CB-CG2 4.09Å; N333-N357 VanDerWaalsContact CA-OD1 3.24Å; N333-N357 WeakPolarHBondContact CA-OD1 3.19Å; N333-N357 WeakPolarHBondContact CB-OD1 3.33Å; N333-N357 PolarHBondContact N-OD1 3.24Å; N333-N357 PolarHBondContact O-OD1 3.34Å
334	R	96.7	Very high	92.8	Very high	139 Å²	139	36.3 Å²	36.3	53%	0.525	19%	0.19	S	C	.	.			trans	-124.9	28.4	174.7	-61.2	-168.8	-167.9	179.5	3.8	111.7	L311 S312 S336 N357 E358	L311-R334 CarbonylContact O-C 3.49Å; L311-R334 VanDerWaalsContact O-C 3.24Å; L311-R334 WeakPolarHBondContact O-CA 3.33Å; L311-R334 PolarHBondContact O-N 3.03Å; S312-R334 WeakPolarHBondContact CA-O 3.39Å; R334-S336 PolarHBondContact O-N 3Å; R334-N357 PolarHBondContact N-OD1 3.17Å; R334-E358 WeakPolarHBondContact CB-OE1 3.47Å; R334-E358 WeakPolarHBondContact CG-OE1 3.48Å
335	V	95.4	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.			trans	-66.2	109	-171.4	179.5	0	0	0	0	109.4	L311 S312 L314 V330 N333 F337 I338 N357 E358 I359	L311-V335 HydrophobicContact CB-CG2 4.21Å; L311-V335 WeakPolarHBondContact O-CG2 3.34Å; L311-V335 PolarHBondContact O-N 2.87Å; S312-V335 WeakPolarHBondContact O-CA 3.46Å; L314-V335 HydrophobicContact CD1-CG1 4.12Å; L314-V335 HydrophobicContact CG-CG1 4.01Å; L314-V335 HydrophobicContact CG-CG2 4.38Å; V330-V335 HydrophobicContact CG1-CG2 4.32Å; N333-V335 HydrophobicContact CB-CG2 4.09Å; V335-F337 WeakPolarHBondContact CG1-O 3.44Å; V335-I338 HydrophobicContact CG1-CD1 4.29Å; V335-I338 HydrophobicContact CG1-CG1 3.82Å; V335-N357 HydrophobicContact CB-CB 4.27Å; V335-N357 WeakPolarHBondContact CB-OD1 3.24Å; V335-N357 WeakPolarHBondContact CG2-OD1 3.5Å; V335-N357 PolarHBondContact N-OD1 3.06Å; V335-E358 CarbonylContact O-C 3.58Å; V335-E358 WeakPolarHBondContact O-CA 3.36Å; V335-E358 PolarHBondContact O-N 3.29Å; V335-I359 HydrophobicContact CG1-CG1 4.43Å; V335-I359 WeakPolarHBondContact O-CG1 3.2Å; V335-I359 PolarHBondContact O-N 2.68Å; V335-I359 VanDerWaalsContact O-N 3.12Å
336	S	89.8	Confident	92.2	Very high	44 Å²	44	34 Å²	34	31%	0.308	19%	0.188	S	C	.	.			trans	-112.1	-9.1	176.8	55	0	0	0	0	113	S312 R334 E358 W361	S312-S336 PolarHBondContact O-N 3.4Å; R334-S336 PolarHBondContact O-N 3Å; S336-E358 WeakPolarHBondContact CA-O 3.36Å; S336-W361 PolarHBondContact O-NE1 3.22Å
337	F	86.5	Confident	91.8	Very high	18 Å²	18	34.2 Å²	34.2	8%	0.079	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.1	178.2	175.6	-77.9	0	0	0	110.5	R313 L314 E315 V335 A339 W361 N526 E527	R313-F337 WeakPolarHBondContact CA-O 3.42Å; R313-F337 HydrophobicContact CB-CB 4.49Å; R313-F337 HydrophobicContact CB-CD1 4.2Å; R313-F337 HydrophobicContact CG-CB 4.16Å; R313-F337 HydrophobicContact CG-CD1 4.45Å; L314-F337 PolarHBondContact N-O 3.05Å; E315-F337 WeakPolarHBondContact OE1-CE1 3.39Å; E315-F337 WeakPolarHBondContact OE2-CE1 3.39Å; V335-F337 WeakPolarHBondContact CG1-O 3.44Å; F337-A339 HydrophobicContact CE1-CB 3.94Å; F337-A339 HydrophobicContact CZ-CB 4.39Å; F337-W361 HydrophobicContact CB-CZ2 3.98Å; F337-W361 AromaticContact CD2-CH2 3.63Å; F337-W361 HydrophobicContact CD2-CH2 3.63Å; F337-W361 AromaticContact CD2-CZ2 3.51Å; F337-W361 HydrophobicContact CD2-CZ2 3.51Å; F337-W361 HydrophobicContact CE2-CH2 4.05Å; F337-W361 HydrophobicContact CE2-CZ2 4.35Å; F337-W361 HydrophobicContact CG-CH2 4.27Å; F337-W361 HydrophobicContact CG-CZ2 4.01Å; F337-N526 HydrophobicContact CE2-CB 4.17Å; F337-E527 HydrophobicContact CE2-CG 4.17Å
338	I	89.2	Confident	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124	169.8	-54	-177.1	0	0	0	106.2	L314 V335 A342 F343 L354 I359 T362 M366	L314-I338 HydrophobicContact CB-CG1 4.39Å; L314-I338 HydrophobicContact CB-CG2 4.26Å; L314-I338 HydrophobicContact CD1-CD1 4.24Å; L314-I338 HydrophobicContact CD1-CG1 4.2Å; L314-I338 CarbonylContact O-C 3.57Å; L314-I338 WeakPolarHBondContact O-CA 3.46Å; V335-I338 HydrophobicContact CG1-CD1 4.29Å; V335-I338 HydrophobicContact CG1-CG1 3.82Å; I338-A342 HydrophobicContact CG2-CB 3.5Å; I338-A342 VanDerWaalsContact CG2-CB 3.5Å; I338-F343 HydrophobicContact CD1-CE2 4.32Å; I338-F343 HydrophobicContact CD1-CZ 4.24Å; I338-F343 HydrophobicContact CG2-CE2 3.8Å; I338-F343 HydrophobicContact CG2-CZ 4.15Å; I338-L354 HydrophobicContact CD1-CD1 4.28Å; I338-L354 HydrophobicContact CD1-CD2 4.49Å; I338-I359 HydrophobicContact CD1-CD1 3.98Å; I338-I359 HydrophobicContact CD1-CG1 4.48Å; I338-T362 HydrophobicContact CB-CG2 3.8Å; I338-T362 HydrophobicContact CD1-CG2 4.34Å; I338-T362 HydrophobicContact CG1-CG2 4.27Å; I338-M366 WeakPolarHBondContact O-CE 3.45Å; I338-M366 VanDerWaalsContact O-SD 3.38Å
339	A	84.6	Confident	91.6	Very high	12 Å²	12	34 Å²	34	10%	0.099	20%	0.195	C	C	.	.			trans	-67.4	149.8	177.9	0	0	0	0	0	111.4	L314 F337 G341 A342	L314-A339 PolarHBondContact O-N 2.93Å; F337-A339 HydrophobicContact CE1-CB 3.94Å; F337-A339 HydrophobicContact CZ-CB 4.39Å; A339-G341 PolarHBondContact O-N 3.1Å; A339-G341 VanDerWaalsContact O-N 3.11Å; A339-A342 HydrophobicContact CB-CB 4.33Å; A339-A342 WeakPolarHBondContact O-CB 3.33Å; A339-A342 PolarHBondContact O-N 3.45Å
340	G	79.5	Confident	91.5	Very high	51 Å²	51	34.8 Å²	34.8	53%	0.526	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	115.9	164.8	0	0	0	0	0	108.9
341	G	81.5	Confident	91.5	Very high	24 Å²	24	36.4 Å²	36.4	25%	0.247	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	4.1	-173.1	0	0	0	0	0	115.9	A339 F343 R344	A339-G341 PolarHBondContact O-N 3.1Å; A339-G341 VanDerWaalsContact O-N 3.11Å; G341-F343 PolarHBondContact O-N 3.3Å; G341-R344 WeakPolarHBondContact O-CB 3.35Å; G341-R344 PolarHBondContact O-N 3.27Å
342	A	88.7	Confident	91.5	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.008	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.7	175.9	0	0	0	0	0	114.9	L314 I338 A339	L314-A342 HydrophobicContact CB-CB 4.19Å; I338-A342 HydrophobicContact CG2-CB 3.5Å; I338-A342 VanDerWaalsContact CG2-CB 3.5Å; A339-A342 HydrophobicContact CB-CB 4.33Å; A339-A342 WeakPolarHBondContact O-CB 3.33Å; A339-A342 PolarHBondContact O-N 3.45Å
343	F	90.9	Very high	91.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.7	14.3	176.2	-53.1	-61.9	0	0	0	113.4	L314 F319 L328 I338 G341 L346 L352 L354 F370 L373	L314-F343 HydrophobicContact CD1-CE1 4.15Å; L314-F343 HydrophobicContact CD1-CZ 3.98Å; F319-F343 HydrophobicContact CD2-CD1 4.21Å; F319-F343 HydrophobicContact CD2-CE1 4.37Å; F319-F343 HydrophobicContact CE2-CD1 4.37Å; F319-F343 HydrophobicContact CE2-CE1 4.06Å; L328-F343 HydrophobicContact CD2-CD1 4.44Å; L328-F343 HydrophobicContact CD2-CE1 4.32Å; I338-F343 HydrophobicContact CD1-CE2 4.32Å; I338-F343 HydrophobicContact CD1-CZ 4.24Å; I338-F343 HydrophobicContact CG2-CE2 3.8Å; I338-F343 HydrophobicContact CG2-CZ 4.15Å; G341-F343 PolarHBondContact O-N 3.3Å; F343-L346 HydrophobicContact CB-CD1 4.11Å; F343-L346 HydrophobicContact CD1-CD1 3.98Å; F343-L346 WeakPolarHBondContact O-CB 3.27Å; F343-L346 PolarHBondContact O-N 2.81Å; F343-L352 HydrophobicContact CE1-CD1 4.25Å; F343-L352 HydrophobicContact CE1-CD2 4.2Å; F343-L352 HydrophobicContact CE2-CD2 4.19Å; F343-L352 HydrophobicContact CZ-CD2 3.99Å; F343-L354 HydrophobicContact CZ-CD1 4.21Å; F343-F370 HydrophobicContact CD2-CD1 4.03Å; F343-F370 HydrophobicContact CD2-CE1 4.38Å; F343-F370 AromaticContact CE2-CD1 3.93Å; F343-F370 HydrophobicContact CE2-CD1 3.93Å; F343-F370 AromaticContact CE2-CE1 3.81Å; F343-F370 HydrophobicContact CE2-CE1 3.81Å; F343-L373 HydrophobicContact CB-CD1 3.9Å; F343-L373 HydrophobicContact CB-CD2 3.94Å; F343-L373 HydrophobicContact CB-CG 4.07Å; F343-L373 HydrophobicContact CD2-CD1 4.15Å; F343-L373 HydrophobicContact CG-CD1 4.07Å
344	R	87.6	Confident	91.5	Very high	163 Å²	163	33.2 Å²	33.2	62%	0.615	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	136.3	179.1	-171.9	179.4	-173.4	-177.3	1.5	110	E316 G341 L346	E316-R344 VanDerWaalsContact OE1-CD 3.26Å; E316-R344 WeakPolarHBondContact OE1-CD 3.43Å; E316-R344 IonicContact OE1-CZ 3.28Å; E316-R344 IonicContact OE1-NE 2.66Å; E316-R344 IonicContact OE1-NH1 3.72Å; E316-R344 PolarHBondContact OE1-NH1 2.92Å; G341-R344 WeakPolarHBondContact O-CB 3.35Å; G341-R344 PolarHBondContact O-N 3.27Å; R344-L346 VanDerWaalsContact C-N 3.29Å; R344-L346 PolarHBondContact O-N 3.4Å
345	G	86.2	Confident	91.6	Very high	43 Å²	43	29 Å²	29	44%	0.443	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	84	-10	-177.7	0	0	0	0	0	115.1	S323 S347	S323-G345 WeakPolarHBondContact CA-O 3.15Å; G345-S347 PolarHBondContact O-N 3.02Å
346	L	93	Very high	91.7	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	19%	0.193	C	C	.	.			trans	-79.1	45.3	175	-55.1	-174.8	0	0	0	112.5	F319 L322 L325 L328 F343 R344 N348 L349 L373	F319-L346 HydrophobicContact CB-CD1 3.98Å; F319-L346 HydrophobicContact CB-CD2 3.99Å; F319-L346 HydrophobicContact CB-CG 4.36Å; F319-L346 HydrophobicContact CD2-CD1 4.39Å; F319-L346 HydrophobicContact CG-CD1 4.36Å; L322-L346 HydrophobicContact CB-CD2 3.66Å; L322-L346 WeakPolarHBondContact O-CD2 3.22Å; L325-L346 HydrophobicContact CB-CD2 4.49Å; L325-L346 HydrophobicContact CD2-CD2 4.26Å; L328-L346 HydrophobicContact CD2-CD1 4.07Å; F343-L346 HydrophobicContact CB-CD1 4.11Å; F343-L346 HydrophobicContact CD1-CD1 3.98Å; F343-L346 WeakPolarHBondContact O-CB 3.27Å; F343-L346 PolarHBondContact O-N 2.81Å; R344-L346 VanDerWaalsContact C-N 3.29Å; R344-L346 PolarHBondContact O-N 3.4Å; L346-N348 PolarHBondContact O-N 3.08Å; L346-L349 HydrophobicContact CB-CB 4.18Å; L346-L349 HydrophobicContact CB-CD2 4.39Å; L346-L349 HydrophobicContact CD1-CD2 4.11Å; L346-L349 VanDerWaalsContact O-CB 3.3Å; L346-L349 WeakPolarHBondContact O-CB 3.48Å; L346-L349 PolarHBondContact O-N 3.02Å; L346-L349 VanDerWaalsContact O-N 3.08Å; L346-L373 HydrophobicContact CB-CD2 3.86Å
347	S	90.3	Very high	92.1	Very high	58 Å²	58	30.5 Å²	30.5	41%	0.406	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-2.6	-170.2	59	0	0	0	0	115.1	G345 K375	G345-S347 PolarHBondContact O-N 3.02Å; S347-K375 WeakPolarHBondContact O-CD 3.24Å; S347-K375 WeakPolarHBondContact O-CE 3.08Å; S347-K375 WeakPolarHBondContact O-CG 3.42Å
348	N	94.8	Very high	92.5	Very high	43 Å²	43	33.4 Å²	33.4	23%	0.23	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-2.9	173.5	-158.4	63.9	0	0	0	114.4	S323 L325 L346 Q350 K375	S323-N348 VanDerWaalsContact O-CB 3.29Å; S323-N348 WeakPolarHBondContact O-CB 3.19Å; L325-N348 CarbonylContact O-C 3.45Å; L346-N348 PolarHBondContact O-N 3.08Å; N348-Q350 PolarHBondContact O-N 3.21Å; N348-K375 PolarHBondContact OD1-NZ 2.97Å
349	L	97	Very high	92.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	19%	0.194	C	C	.	.			trans	-71.6	116.4	-168.3	-167.8	72.8	0	0	0	112.1	L325 L328 L346 L352 L373 K375 M376	L325-L349 HydrophobicContact CB-CD1 4.37Å; L325-L349 HydrophobicContact CD2-CD1 4.01Å; L325-L349 HydrophobicContact CG-CD1 3.9Å; L325-L349 WeakPolarHBondContact O-CA 3.41Å; L325-L349 PolarHBondContact O-N 3.1Å; L325-L349 VanDerWaalsContact O-N 3.1Å; L328-L349 HydrophobicContact CB-CD1 3.7Å; L328-L349 HydrophobicContact CB-CD2 4.21Å; L328-L349 HydrophobicContact CD2-CD2 4.43Å; L346-L349 HydrophobicContact CB-CB 4.18Å; L346-L349 HydrophobicContact CB-CD2 4.39Å; L346-L349 HydrophobicContact CD1-CD2 4.11Å; L346-L349 VanDerWaalsContact O-CB 3.3Å; L346-L349 WeakPolarHBondContact O-CB 3.48Å; L346-L349 PolarHBondContact O-N 3.02Å; L346-L349 VanDerWaalsContact O-N 3.08Å; L349-L352 HydrophobicContact CD2-CB 4.35Å; L349-L373 HydrophobicContact CB-CD2 4.17Å; L349-L373 HydrophobicContact CD2-CD1 4.48Å; L349-L373 HydrophobicContact CD2-CD2 3.95Å; L349-K375 CarbonylContact O-C 3.59Å; L349-M376 HydrophobicContact CB-CE 4.14Å; L349-M376 HydrophobicContact CD2-CE 3.59Å; L349-M376 HydrophobicContact CG-CE 3.69Å; L349-M376 WeakPolarHBondContact O-CA 3.44Å; L349-M376 PolarHBondContact O-N 2.99Å
350	Q	97.4	Very high	92.9	Very high	57 Å²	57	33.7 Å²	33.7	27%	0.266	20%	0.195	S	C	.	.			trans	-98.7	-23.1	178.6	-65	178.4	82	0	0	113.4	D326 N348 M376 K377 T378	D326-Q350 PolarHBondContact O-N 3.26Å; D326-Q350 VanDerWaalsContact OD1-CB 3.26Å; D326-Q350 WeakPolarHBondContact OD1-CB 3.38Å; D326-Q350 VanDerWaalsContact OD1-CD 3.27Å; D326-Q350 WeakPolarHBondContact OD1-CG 3.46Å; D326-Q350 PolarHBondContact OD1-NE2 2.83Å; D326-Q350 PolarHBondContact OD2-NE2 3.36Å; N348-Q350 PolarHBondContact O-N 3.21Å; Q350-M376 VanDerWaalsContact C-SD 3.52Å; Q350-M376 VanDerWaalsContact O-SD 3.33Å; Q350-K377 HydrophobicContact CB-CD 4.46Å; Q350-K377 HydrophobicContact CG-CD 4.46Å; Q350-K377 WeakPolarHBondContact O-CA 3.46Å; Q350-K377 PolarHBondContact O-N 2.63Å; Q350-K377 VanDerWaalsContact OE1-CE 3.23Å; Q350-T378 PolarHBondContact O-N 2.78Å
351	M	98.3	Very high	93	Very high	34 Å²	34	32.9 Å²	32.9	17%	0.167	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	130.1	178.6	-169.8	-122.4	-69.8	0	0	113	D326 E327 L328 H329 T378 F380	D326-M351 PolarHBondContact O-N 2.84Å; E327-M351 HydrophobicContact CG-CB 4.43Å; E327-M351 HydrophobicContact CG-CE 3.93Å; E327-M351 WeakPolarHBondContact OE2-CE 3.14Å; L328-M351 PolarHBondContact N-O 2.84Å; H329-M351 WeakPolarHBondContact CE1-CE 3.33Å; H329-M351 PolarHBondContact CE1-SD 2.92Å; H329-M351 WeakPolarHBondContact NE2-CE 3.39Å; M351-T378 WeakPolarHBondContact CA-O 3.39Å; M351-T378 HydrophobicContact CG-CG2 3.85Å; M351-F380 HydrophobicContact CG-CE2 4.26Å; M351-F380 HydrophobicContact SD-CE2 4.23Å
352	L	98.1	Very high	93	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	114.3	176.2	177.6	55.3	0	0	0	110.7	L328 F343 L349 L354 F370 L373 M376 T378 L379 F380	L328-L352 HydrophobicContact CB-CD1 4.18Å; L328-L352 HydrophobicContact CD2-CD1 4.01Å; L328-L352 HydrophobicContact CG-CD1 3.99Å; L328-L352 WeakPolarHBondContact O-CA 3.39Å; F343-L352 HydrophobicContact CE1-CD1 4.25Å; F343-L352 HydrophobicContact CE1-CD2 4.2Å; F343-L352 HydrophobicContact CE2-CD2 4.19Å; F343-L352 HydrophobicContact CZ-CD2 3.99Å; L349-L352 HydrophobicContact CD2-CB 4.35Å; L352-L354 HydrophobicContact CD1-CD1 4.28Å; L352-L354 HydrophobicContact CD1-CD2 4.44Å; L352-L354 HydrophobicContact CD1-CG 3.99Å; L352-L354 HydrophobicContact CD2-CD1 3.83Å; L352-L354 HydrophobicContact CD2-CG 4.42Å; L352-L354 HydrophobicContact CG-CD1 3.92Å; L352-L354 HydrophobicContact CG-CG 3.98Å; L352-F370 HydrophobicContact CD2-CD1 4.1Å; L352-F370 HydrophobicContact CD2-CE1 3.91Å; L352-L373 HydrophobicContact CD2-CD1 4.03Å; L352-M376 HydrophobicContact CB-CE 3.66Å; L352-M376 HydrophobicContact CB-SD 4.02Å; L352-M376 HydrophobicContact CD2-CE 4.46Å; L352-T378 PolarHBondContact N-O 2.85Å; L352-L379 HydrophobicContact CB-CD1 4.15Å; L352-L379 HydrophobicContact CD2-CD1 4.07Å; L352-L379 HydrophobicContact CG-CD1 4.06Å; L352-F380 PolarHBondContact O-N 3.1Å
353	D	98.5	Very high	92.8	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	111.7	171.4	176.7	28.9	0	0	0	111.9	L328 H329 V330 G331 Q355 F380	L328-D353 PolarHBondContact O-N 3.11Å; H329-D353 HydrophobicContact CB-CB 4.4Å; V330-D353 CarbonylContact C-O 3.59Å; V330-D353 WeakPolarHBondContact CA-O 3.18Å; V330-D353 PolarHBondContact N-O 3.49Å; G331-D353 PolarHBondContact N-O 2.98Å; D353-Q355 VanDerWaalsContact CG-NE2 3.28Å; D353-Q355 VanDerWaalsContact OD1-CB 3.26Å; D353-Q355 WeakPolarHBondContact OD1-CB 3.34Å; D353-Q355 WeakPolarHBondContact OD1-CG 3.36Å; D353-Q355 PolarHBondContact OD1-N 2.99Å; D353-Q355 PolarHBondContact OD1-NE2 3.39Å; D353-Q355 VanDerWaalsContact OD1-NE2 3.13Å; D353-Q355 PolarHBondContact OD2-NE2 2.86Å; D353-F380 HydrophobicContact CB-CB 4.43Å; D353-F380 HydrophobicContact CB-CD2 4.07Å
354	L	97.9	Very high	92.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.			trans	-118.6	15.1	174.9	-72	167.7	0	0	0	112.1	L314 V330 I338 F343 L352 N357 I359 F370 F380 L381 N384	L314-L354 HydrophobicContact CD1-CD2 4.24Å; V330-L354 HydrophobicContact CB-CD2 4.16Å; V330-L354 HydrophobicContact CG2-CD2 4.48Å; I338-L354 HydrophobicContact CD1-CD1 4.28Å; I338-L354 HydrophobicContact CD1-CD2 4.49Å; F343-L354 HydrophobicContact CZ-CD1 4.21Å; L352-L354 HydrophobicContact CD1-CD1 4.28Å; L352-L354 HydrophobicContact CD1-CD2 4.44Å; L352-L354 HydrophobicContact CD1-CG 3.99Å; L352-L354 HydrophobicContact CD2-CD1 3.83Å; L352-L354 HydrophobicContact CD2-CG 4.42Å; L352-L354 HydrophobicContact CG-CD1 3.92Å; L352-L354 HydrophobicContact CG-CG 3.98Å; L354-N357 PolarHBondContact O-ND2 3.35Å; L354-I359 HydrophobicContact CB-CD1 3.93Å; L354-I359 HydrophobicContact CD1-CD1 4.22Å; L354-I359 HydrophobicContact CD2-CD1 4.22Å; L354-I359 HydrophobicContact CG-CD1 4.36Å; L354-F370 HydrophobicContact CD1-CE1 3.93Å; L354-F370 HydrophobicContact CD1-CZ 4.24Å; L354-F380 CarbonylContact C-O 3.09Å; L354-F380 WeakPolarHBondContact CA-O 3.38Å; L354-F380 WeakPolarHBondContact CB-O 3.43Å; L354-F380 PolarHBondContact N-O 2.94Å; L354-L381 HydrophobicContact CB-CD2 3.86Å; L354-L381 HydrophobicContact CD1-CD2 4.08Å; L354-N384 PolarHBondContact O-ND2 2.94Å
355	Q	97.9	Very high	92	Very high	49 Å²	49	25.6 Å²	25.6	23%	0.229	14%	0.144	C	C	.	.			trans	-58.5	157	-176.2	78.6	-169.2	-61.4	0	0	113.3	G331 N332 D353 N357 F380 Q382	G331-Q355 CarbonylContact C-O 3.39Å; G331-Q355 WeakPolarHBondContact CA-O 3.41Å; N332-Q355 PolarHBondContact N-O 2.89Å; D353-Q355 VanDerWaalsContact CG-NE2 3.28Å; D353-Q355 VanDerWaalsContact OD1-CB 3.26Å; D353-Q355 WeakPolarHBondContact OD1-CB 3.34Å; D353-Q355 WeakPolarHBondContact OD1-CG 3.36Å; D353-Q355 PolarHBondContact OD1-N 2.99Å; D353-Q355 PolarHBondContact OD1-NE2 3.39Å; D353-Q355 VanDerWaalsContact OD1-NE2 3.13Å; D353-Q355 PolarHBondContact OD2-NE2 2.86Å; Q355-N357 PolarHBondContact O-N 3.24Å; Q355-N357 PolarHBondContact O-ND2 2.8Å; Q355-N357 VanDerWaalsContact O-ND2 3.1Å; Q355-F380 PolarHBondContact N-O 2.77Å; Q355-Q382 CarbonylContact C-O 3.28Å; Q355-Q382 VanDerWaalsContact CA-O 3.24Å; Q355-Q382 WeakPolarHBondContact CA-O 3.47Å; Q355-Q382 HydrophobicContact CB-CG 3.95Å; Q355-Q382 VanDerWaalsContact CB-NE2 3.28Å; Q355-Q382 WeakPolarHBondContact CB-O 3.38Å
356	N	98.1	Very high	91.3	Very high	69 Å²	69	24.3 Å²	24.3	37%	0.369	13%	0.126	S	C	.	.	S	Bend	trans	49.3	53.9	173.1	-55.3	-25.8	0	0	0	112.4	N332 Q382 G383	N332-N356 VanDerWaalsContact CA-O 3.24Å; N332-N356 WeakPolarHBondContact CA-O 3.38Å; N332-N356 HydrophobicContact CB-CB 4.49Å; N332-N356 PolarHBondContact N-O 3.06Å; N332-N356 WeakPolarHBondContact OD1-CB 3.21Å; N332-N356 PolarHBondContact OD1-ND2 3.22Å; N356-Q382 PolarHBondContact N-O 3.11Å; N356-G383 WeakPolarHBondContact CA-O 3.45Å
357	N	98.1	Very high	90.1	Very high	8 Å²	8	30 Å²	30	4%	0.043	16%	0.156	C	C	.	.	S	Bend	trans	-124	-169.5	176.1	-88.1	-73.3	0	0	0	109.2	V330 N333 R334 V335 L354 Q355 I359 N384	V330-N357 PolarHBondContact O-ND2 2.92Å; V330-N357 VanDerWaalsContact O-ND2 3.09Å; N333-N357 VanDerWaalsContact CA-OD1 3.24Å; N333-N357 WeakPolarHBondContact CA-OD1 3.19Å; N333-N357 WeakPolarHBondContact CB-OD1 3.33Å; N333-N357 PolarHBondContact N-OD1 3.24Å; N333-N357 PolarHBondContact O-OD1 3.34Å; R334-N357 PolarHBondContact N-OD1 3.17Å; V335-N357 HydrophobicContact CB-CB 4.27Å; V335-N357 WeakPolarHBondContact CB-OD1 3.24Å; V335-N357 WeakPolarHBondContact CG2-OD1 3.5Å; V335-N357 PolarHBondContact N-OD1 3.06Å; L354-N357 PolarHBondContact O-ND2 3.35Å; Q355-N357 PolarHBondContact O-N 3.24Å; Q355-N357 PolarHBondContact O-ND2 2.8Å; Q355-N357 VanDerWaalsContact O-ND2 3.1Å; N357-I359 HydrophobicContact CB-CD1 4.29Å; N357-I359 HydrophobicContact CB-CG1 4.11Å; N357-N384 VanDerWaalsContact CA-OD1 3.3Å; N357-N384 WeakPolarHBondContact CA-OD1 3.25Å; N357-N384 WeakPolarHBondContact CB-OD1 3.33Å; N357-N384 PolarHBondContact N-OD1 3.13Å; N357-N384 PolarHBondContact O-OD1 2.95Å
358	E	95.5	Very high	89.3	Confident	78 Å²	78	27.4 Å²	27.4	36%	0.364	14%	0.139	S	C	.	.			trans	-107.9	23.6	-176.5	-64.2	179.2	-151.8	0	0	111.9	R334 V335 S336 S360	R334-E358 WeakPolarHBondContact CB-OE1 3.47Å; R334-E358 WeakPolarHBondContact CG-OE1 3.48Å; V335-E358 CarbonylContact O-C 3.58Å; V335-E358 WeakPolarHBondContact O-CA 3.36Å; V335-E358 PolarHBondContact O-N 3.29Å; S336-E358 WeakPolarHBondContact CA-O 3.36Å; E358-S360 PolarHBondContact O-N 2.75Å
359	I	93	Very high	88.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.			trans	-73.1	127.8	-173.7	-52.6	169.9	0	0	0	110.2	V335 I338 L354 N357 I363 L381 N384 Q385 I386	V335-I359 HydrophobicContact CG1-CG1 4.43Å; V335-I359 WeakPolarHBondContact O-CG1 3.2Å; V335-I359 PolarHBondContact O-N 2.68Å; V335-I359 VanDerWaalsContact O-N 3.12Å; I338-I359 HydrophobicContact CD1-CD1 3.98Å; I338-I359 HydrophobicContact CD1-CG1 4.48Å; L354-I359 HydrophobicContact CB-CD1 3.93Å; L354-I359 HydrophobicContact CD1-CD1 4.22Å; L354-I359 HydrophobicContact CD2-CD1 4.22Å; L354-I359 HydrophobicContact CG-CD1 4.36Å; N357-I359 HydrophobicContact CB-CD1 4.29Å; N357-I359 HydrophobicContact CB-CG1 4.11Å; I359-I363 HydrophobicContact CG2-CD1 4.44Å; I359-I363 HydrophobicContact CG2-CG1 3.83Å; I359-L381 HydrophobicContact CD1-CD2 4.12Å; I359-N384 HydrophobicContact CB-CB 4.23Å; I359-N384 VanDerWaalsContact CB-OD1 3.26Å; I359-N384 WeakPolarHBondContact CB-OD1 3.4Å; I359-N384 VanDerWaalsContact CG1-OD1 3.26Å; I359-N384 WeakPolarHBondContact CG1-OD1 3.11Å; I359-N384 PolarHBondContact N-OD1 3.02Å; I359-Q385 CarbonylContact O-C 3.53Å; I359-Q385 WeakPolarHBondContact O-CA 3.4Å; I359-Q385 PolarHBondContact O-N 2.87Å; I359-I386 PolarHBondContact O-N 3.01Å
360	S	88.8	Confident	88.2	Confident	19 Å²	19	25.6 Å²	25.6	13%	0.133	13%	0.13	C	C	.	.			trans	-137.1	-88.4	170.4	155.9	0	0	0	0	109.2	E358 T362 I363 E364 Q385	E358-S360 PolarHBondContact O-N 2.75Å; S360-T362 PolarHBondContact O-N 2.93Å; S360-I363 PolarHBondContact O-N 3Å; S360-E364 PolarHBondContact O-N 3.06Å; S360-E364 PolarHBondContact OG-OE1 3.3Å; S360-Q385 WeakPolarHBondContact CB-O 3.19Å
361	W	80.8	Confident	87.6	Confident	34 Å²	34	26.4 Å²	26.4	13%	0.129	14%	0.142	C	C	.	.	H	α-helix	trans	-53.8	-28.2	-170.5	64	-90.8	0	0	0	114.8	S336 F337 I363 E364 D365 M366 N526 Y584	S336-W361 PolarHBondContact O-NE1 3.22Å; F337-W361 HydrophobicContact CB-CZ2 3.98Å; F337-W361 AromaticContact CD2-CH2 3.63Å; F337-W361 HydrophobicContact CD2-CH2 3.63Å; F337-W361 AromaticContact CD2-CZ2 3.51Å; F337-W361 HydrophobicContact CD2-CZ2 3.51Å; F337-W361 HydrophobicContact CE2-CH2 4.05Å; F337-W361 HydrophobicContact CE2-CZ2 4.35Å; F337-W361 HydrophobicContact CG-CH2 4.27Å; F337-W361 HydrophobicContact CG-CZ2 4.01Å; W361-I363 PolarHBondContact O-N 3Å; W361-E364 PolarHBondContact O-N 2.96Å; W361-E364 VanDerWaalsContact O-N 3.1Å; W361-D365 WeakPolarHBondContact O-CB 3.35Å; W361-D365 PolarHBondContact O-N 2.81Å; W361-M366 HydrophobicContact CH2-CE 4.2Å; W361-M366 HydrophobicContact CH2-SD 4.48Å; W361-M366 HydrophobicContact CZ3-CE 3.85Å; W361-M366 HydrophobicContact CZ3-CG 4.12Å; W361-M366 HydrophobicContact CZ3-SD 3.93Å; W361-N526 HydrophobicContact CH2-CB 3.76Å; W361-N526 HydrophobicContact CZ3-CB 3.77Å; W361-Y584 HydrophobicContact CB-CE1 3.73Å; W361-Y584 WeakPolarHBondContact CB-OH 3.4Å
362	T	81.8	Confident	86.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-52.1	-41.1	172.4	-51.5	0	0	0	0	111.8	I338 S360 M366 P369	I338-T362 HydrophobicContact CB-CG2 3.8Å; I338-T362 HydrophobicContact CD1-CG2 4.34Å; I338-T362 HydrophobicContact CG1-CG2 4.27Å; S360-T362 PolarHBondContact O-N 2.93Å; T362-M366 HydrophobicContact CG2-SD 3.91Å; T362-M366 WeakPolarHBondContact O-CB 3.36Å; T362-M366 PolarHBondContact O-N 3.04Å; T362-P369 HydrophobicContact CG2-CB 3.96Å; T362-P369 HydrophobicContact CG2-CG 4.31Å
363	I	85.4	Confident	86.6	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-85.4	-28	-179.9	-53.4	-55.7	0	0	0	111	I359 S360 W361 P369 F370 L381 I386 S393 F394	I359-I363 HydrophobicContact CG2-CD1 4.44Å; I359-I363 HydrophobicContact CG2-CG1 3.83Å; S360-I363 PolarHBondContact O-N 3Å; W361-I363 PolarHBondContact O-N 3Å; I363-P369 HydrophobicContact CD1-CG 4.26Å; I363-F370 HydrophobicContact CD1-CE2 3.62Å; I363-F370 HydrophobicContact CD1-CZ 3.78Å; I363-L381 HydrophobicContact CD1-CD1 4.46Å; I363-I386 HydrophobicContact CB-CD1 4.2Å; I363-I386 HydrophobicContact CB-CG1 4.15Å; I363-I386 HydrophobicContact CB-CG2 4.04Å; I363-I386 HydrophobicContact CG1-CD1 3.76Å; I363-I386 HydrophobicContact CG1-CG1 3.99Å; I363-I386 HydrophobicContact CG2-CD1 4.23Å; I363-I386 HydrophobicContact CG2-CG2 3.85Å; I363-S393 WeakPolarHBondContact O-CB 3.33Å; I363-S393 PolarHBondContact O-OG 3.03Å; I363-F394 HydrophobicContact CG2-CZ 4.25Å
364	E	84.3	Confident	86	Confident	8 Å²	8	32.7 Å²	32.7	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-83.9	-25.9	-175	-53	175.9	-164.2	0	0	113.6	S360 W361 I386 R387 S388 T390 Y584	S360-E364 PolarHBondContact O-N 3.06Å; S360-E364 PolarHBondContact OG-OE1 3.3Å; W361-E364 PolarHBondContact O-N 2.96Å; W361-E364 VanDerWaalsContact O-N 3.1Å; E364-I386 HydrophobicContact CG-CG2 4.47Å; E364-R387 PolarHBondContact OE1-N 3.02Å; E364-S388 WeakPolarHBondContact CG-O 3.09Å; E364-T390 VanDerWaalsContact O-CG2 3.27Å; E364-T390 WeakPolarHBondContact O-CG2 3.09Å; E364-Y584 HydrophobicContact CB-CD2 4.4Å; E364-Y584 HydrophobicContact CB-CE2 3.54Å; E364-Y584 WeakPolarHBondContact OE2-CE2 3.44Å; E364-Y584 PolarHBondContact OE2-OH 3.18Å
365	D	77.7	Confident	85.8	Confident	28 Å²	28	37.3 Å²	37.3	15%	0.15	20%	0.196	C	C	.	.	H	α-helix	trans	-124.4	-39.5	-171.5	167.1	71.9	0	0	0	114.7	W361 N367 Q573 Y584 K587	W361-D365 WeakPolarHBondContact O-CB 3.35Å; W361-D365 PolarHBondContact O-N 2.81Å; D365-N367 PolarHBondContact O-N 2.93Å; D365-Q573 PolarHBondContact OD1-NE2 2.83Å; D365-Y584 HydrophobicContact CB-CD1 3.79Å; D365-Y584 HydrophobicContact CB-CD2 4.11Å; D365-Y584 HydrophobicContact CB-CE1 4.22Å; D365-Y584 HydrophobicContact CB-CG 3.75Å; D365-K587 IonicContact OD1-NZ 3.21Å; D365-K587 VanDerWaalsContact OD2-CE 3.28Å; D365-K587 WeakPolarHBondContact OD2-CE 3.46Å; D365-K587 IonicContact OD2-NZ 3.21Å; D365-K587 PolarHBondContact OD2-NZ 3.31Å
366	M	69.9	Low	85.7	Confident	16 Å²	16	35.1 Å²	35.1	8%	0.079	19%	0.186	C	C	.	.	S	Bend	trans	-72.4	131.1	-173.6	-65.8	-177.9	138.1	0	0	111.7	I338 W361 T362 G368 P369 N526	I338-M366 WeakPolarHBondContact O-CE 3.45Å; I338-M366 VanDerWaalsContact O-SD 3.38Å; W361-M366 HydrophobicContact CH2-CE 4.2Å; W361-M366 HydrophobicContact CH2-SD 4.48Å; W361-M366 HydrophobicContact CZ3-CE 3.85Å; W361-M366 HydrophobicContact CZ3-CG 4.12Å; W361-M366 HydrophobicContact CZ3-SD 3.93Å; T362-M366 HydrophobicContact CG2-SD 3.91Å; T362-M366 WeakPolarHBondContact O-CB 3.36Å; T362-M366 PolarHBondContact O-N 3.04Å; M366-G368 PolarHBondContact O-N 2.78Å; M366-G368 VanDerWaalsContact O-N 3.1Å; M366-P369 HydrophobicContact CB-CB 4.49Å; M366-P369 WeakPolarHBondContact O-CD 3.47Å; M366-N526 HydrophobicContact CE-CB 4.41Å
367	N	69.7	Low	85.7	Confident	119 Å²	119	35.3 Å²	35.3	64%	0.636	18%	0.183	S	C	*	.	S	Bend	trans	-68	105.1	169.2	-65.7	-58.5	0	0	0	109.2	D365 K392	D365-N367 PolarHBondContact O-N 2.93Å; N367-K392 HydrophobicContact CB-CD 4.49Å; N367-K392 WeakPolarHBondContact OD1-CD 3.28Å; N367-K392 PolarHBondContact OD1-NZ 2.9Å
368	G	71.8	Confident	85.7	Confident	4 Å²	4	36.2 Å²	36.2	4%	0.041	19%	0.189	C	C	.	.			trans	56.2	63.3	173.1	0	0	0	0	0	115.2	M366 F370 S371 K392	M366-G368 PolarHBondContact O-N 2.78Å; M366-G368 VanDerWaalsContact O-N 3.1Å; G368-F370 PolarHBondContact O-N 3.32Å; G368-F370 VanDerWaalsContact O-N 3.1Å; G368-S371 WeakPolarHBondContact O-CB 2.96Å; G368-S371 PolarHBondContact O-N 3.4Å; G368-S371 PolarHBondContact O-OG 2.98Å; G368-K392 WeakPolarHBondContact CA-O 3.24Å; G368-K392 PolarHBondContact N-O 3.15Å; G368-K392 VanDerWaalsContact N-O 3.08Å
369	P	81.1	Confident	85.8	Confident	7 Å²	7	32.5 Å²	32.5	5%	0.045	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22	171.7	26.5	-35.2	0	0	0	112.7	T362 I363 M366	T362-P369 HydrophobicContact CG2-CB 3.96Å; T362-P369 HydrophobicContact CG2-CG 4.31Å; I363-P369 HydrophobicContact CD1-CG 4.26Å; M366-P369 HydrophobicContact CB-CB 4.49Å; M366-P369 WeakPolarHBondContact O-CD 3.47Å
370	F	88	Confident	86	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	11.4	176.8	-50.8	-62.6	0	0	0	114.1	F343 L352 L354 I363 G368 A372 L373 L379 L381 F394 L397	F343-F370 HydrophobicContact CD2-CD1 4.03Å; F343-F370 HydrophobicContact CD2-CE1 4.38Å; F343-F370 AromaticContact CE2-CD1 3.93Å; F343-F370 HydrophobicContact CE2-CD1 3.93Å; F343-F370 AromaticContact CE2-CE1 3.81Å; F343-F370 HydrophobicContact CE2-CE1 3.81Å; L352-F370 HydrophobicContact CD2-CD1 4.1Å; L352-F370 HydrophobicContact CD2-CE1 3.91Å; L354-F370 HydrophobicContact CD1-CE1 3.93Å; L354-F370 HydrophobicContact CD1-CZ 4.24Å; I363-F370 HydrophobicContact CD1-CE2 3.62Å; I363-F370 HydrophobicContact CD1-CZ 3.78Å; G368-F370 PolarHBondContact O-N 3.32Å; G368-F370 VanDerWaalsContact O-N 3.1Å; F370-A372 PolarHBondContact O-N 2.95Å; F370-L373 HydrophobicContact CB-CD1 4.11Å; F370-L373 HydrophobicContact CD1-CD1 3.99Å; F370-L373 WeakPolarHBondContact O-CB 3.46Å; F370-L373 PolarHBondContact O-N 2.88Å; F370-L379 HydrophobicContact CD2-CD2 4.2Å; F370-L379 HydrophobicContact CE1-CD1 4.35Å; F370-L379 HydrophobicContact CE2-CD2 3.9Å; F370-L379 HydrophobicContact CZ-CD1 4.3Å; F370-L379 HydrophobicContact CZ-CD2 4.15Å; F370-L381 HydrophobicContact CE2-CD1 4.39Å; F370-L381 HydrophobicContact CZ-CD1 4.32Å; F370-F394 HydrophobicContact CD2-CD1 4.22Å; F370-F394 HydrophobicContact CE2-CD1 4.19Å; F370-F394 HydrophobicContact CE2-CE1 4.2Å; F370-L397 HydrophobicContact CB-CD1 3.87Å; F370-L397 HydrophobicContact CB-CD2 3.89Å; F370-L397 HydrophobicContact CB-CG 3.92Å; F370-L397 HydrophobicContact CD2-CD1 3.85Å; F370-L397 HydrophobicContact CG-CD1 4.08Å
371	S	85.4	Confident	86.4	Confident	73 Å²	73	34.1 Å²	34.1	51%	0.51	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15	-170.6	50.8	0	0	0	0	116	G368 S395	G368-S371 WeakPolarHBondContact O-CB 2.96Å; G368-S371 PolarHBondContact O-N 3.4Å; G368-S371 PolarHBondContact O-OG 2.98Å; S371-S395 WeakPolarHBondContact CA-O 3.33Å
372	A	84.1	Confident	87.2	Confident	31 Å²	31	33.5 Å²	33.5	26%	0.256	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.5	175.9	0	0	0	0	0	114.2	F370	F370-A372 PolarHBondContact O-N 2.95Å
373	L	90.4	Very high	87.9	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.187	C	C	.	.			trans	-107	51.2	-168.6	-60.7	179	0	0	0	112.7	F343 L346 L349 L352 F370 K375 M376 L397	F343-L373 HydrophobicContact CB-CD1 3.9Å; F343-L373 HydrophobicContact CB-CD2 3.94Å; F343-L373 HydrophobicContact CB-CG 4.07Å; F343-L373 HydrophobicContact CD2-CD1 4.15Å; F343-L373 HydrophobicContact CG-CD1 4.07Å; L346-L373 HydrophobicContact CB-CD2 3.86Å; L349-L373 HydrophobicContact CB-CD2 4.17Å; L349-L373 HydrophobicContact CD2-CD1 4.48Å; L349-L373 HydrophobicContact CD2-CD2 3.95Å; L352-L373 HydrophobicContact CD2-CD1 4.03Å; F370-L373 HydrophobicContact CB-CD1 4.11Å; F370-L373 HydrophobicContact CD1-CD1 3.99Å; F370-L373 WeakPolarHBondContact O-CB 3.46Å; F370-L373 PolarHBondContact O-N 2.88Å; L373-K375 PolarHBondContact O-N 3.2Å; L373-M376 HydrophobicContact CB-CB 4.18Å; L373-M376 HydrophobicContact CB-CE 4.19Å; L373-M376 HydrophobicContact CD1-CE 3.87Å; L373-M376 HydrophobicContact CD2-CE 4.46Å; L373-M376 HydrophobicContact CG-CE 4.41Å; L373-M376 WeakPolarHBondContact O-CB 3.06Å; L373-M376 PolarHBondContact O-N 3.31Å; L373-L397 HydrophobicContact CB-CD2 4.13Å
374	E	87.3	Confident	88.4	Confident	141 Å²	141	35 Å²	35	66%	0.659	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-28.5	-172.1	-60.8	174	-178.6	0	0	115
375	K	93.2	Very high	88.9	Confident	98 Å²	98	39.4 Å²	39.4	43%	0.426	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	5.6	-179.3	-57.8	-167.4	-159.4	170.5	0	114.6	S347 N348 L349 L373 K377	S347-K375 WeakPolarHBondContact O-CD 3.24Å; S347-K375 WeakPolarHBondContact O-CE 3.08Å; S347-K375 WeakPolarHBondContact O-CG 3.42Å; N348-K375 PolarHBondContact OD1-NZ 2.97Å; L349-K375 CarbonylContact O-C 3.59Å; L373-K375 PolarHBondContact O-N 3.2Å; K375-K377 PolarHBondContact O-N 2.74Å
376	M	95.5	Very high	89.6	Confident	2 Å²	2	38 Å²	38	1%	0.01	20%	0.202	C	C	.	.			trans	-63.7	128.6	-173.2	-174.4	59	62.2	0	0	111.8	L349 Q350 L352 L373 T378 L397 E399 L400	L349-M376 HydrophobicContact CB-CE 4.14Å; L349-M376 HydrophobicContact CD2-CE 3.59Å; L349-M376 HydrophobicContact CG-CE 3.69Å; L349-M376 WeakPolarHBondContact O-CA 3.44Å; L349-M376 PolarHBondContact O-N 2.99Å; Q350-M376 VanDerWaalsContact C-SD 3.52Å; Q350-M376 VanDerWaalsContact O-SD 3.33Å; L352-M376 HydrophobicContact CB-CE 3.66Å; L352-M376 HydrophobicContact CB-SD 4.02Å; L352-M376 HydrophobicContact CD2-CE 4.46Å; L373-M376 HydrophobicContact CB-CB 4.18Å; L373-M376 HydrophobicContact CB-CE 4.19Å; L373-M376 HydrophobicContact CD1-CE 3.87Å; L373-M376 HydrophobicContact CD2-CE 4.46Å; L373-M376 HydrophobicContact CG-CE 4.41Å; L373-M376 WeakPolarHBondContact O-CB 3.06Å; L373-M376 PolarHBondContact O-N 3.31Å; M376-T378 VanDerWaalsContact SD-O 3.39Å; M376-L397 HydrophobicContact CB-CD2 3.54Å; M376-L397 HydrophobicContact CG-CD2 3.75Å; M376-E399 CarbonylContact O-C 3.42Å; M376-E399 VanDerWaalsContact O-C 3.31Å; M376-L400 HydrophobicContact CB-CD1 4.36Å; M376-L400 HydrophobicContact CG-CD1 3.59Å; M376-L400 VanDerWaalsContact O-CA 3.3Å; M376-L400 WeakPolarHBondContact O-CA 3.48Å; M376-L400 PolarHBondContact O-N 3.1Å
377	K	97	Very high	90.5	Very high	73 Å²	73	42.3 Å²	42.3	32%	0.317	22%	0.217	S	C	.	.			trans	-111	-31.4	177.8	-66.3	177.7	-178.5	169.9	0	112.9	Q350 K375 Q401 H402	Q350-K377 HydrophobicContact CB-CD 4.46Å; Q350-K377 HydrophobicContact CG-CD 4.46Å; Q350-K377 WeakPolarHBondContact O-CA 3.46Å; Q350-K377 PolarHBondContact O-N 2.63Å; Q350-K377 VanDerWaalsContact OE1-CE 3.23Å; K375-K377 PolarHBondContact O-N 2.74Å; K377-Q401 HydrophobicContact CB-CG 4.23Å; K377-Q401 HydrophobicContact CG-CG 4.29Å; K377-Q401 CarbonylContact O-C 3.59Å; K377-Q401 WeakPolarHBondContact O-CA 3.39Å; K377-Q401 PolarHBondContact O-N 3.21Å; K377-H402 PolarHBondContact O-N 2.97Å
378	T	98.1	Very high	91.5	Very high	27 Å²	27	37.1 Å²	37.1	17%	0.166	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	117.3	-171	-60.4	0	0	0	0	111.5	Q350 M351 L352 M376 F380 H402	Q350-T378 PolarHBondContact O-N 2.78Å; M351-T378 WeakPolarHBondContact CA-O 3.39Å; M351-T378 HydrophobicContact CG-CG2 3.85Å; L352-T378 PolarHBondContact N-O 2.85Å; M376-T378 VanDerWaalsContact SD-O 3.39Å; T378-F380 HydrophobicContact CG2-CD2 4.02Å; T378-F380 HydrophobicContact CG2-CE1 4.18Å; T378-F380 HydrophobicContact CG2-CE2 3.35Å; T378-F380 HydrophobicContact CG2-CZ 3.45Å; T378-F380 VanDerWaalsContact CG2-CZ 3.45Å; T378-H402 WeakPolarHBondContact CA-O 3.42Å; T378-H402 HydrophobicContact CG2-CB 4.2Å
379	L	97.6	Very high	92.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.9	179.6	179	57.5	0	0	0	111	L352 F370 L381 F394 L397 L400 H402 L403 D404	L352-L379 HydrophobicContact CB-CD1 4.15Å; L352-L379 HydrophobicContact CD2-CD1 4.07Å; L352-L379 HydrophobicContact CG-CD1 4.06Å; F370-L379 HydrophobicContact CD2-CD2 4.2Å; F370-L379 HydrophobicContact CE1-CD1 4.35Å; F370-L379 HydrophobicContact CE2-CD2 3.9Å; F370-L379 HydrophobicContact CZ-CD1 4.3Å; F370-L379 HydrophobicContact CZ-CD2 4.15Å; L379-L381 HydrophobicContact CD1-CD1 4.33Å; L379-L381 HydrophobicContact CD1-CG 4.13Å; L379-L381 HydrophobicContact CD2-CD1 3.86Å; L379-L381 HydrophobicContact CG-CD1 3.97Å; L379-L381 HydrophobicContact CG-CG 4.09Å; L379-F394 HydrophobicContact CD2-CD1 4.21Å; L379-F394 HydrophobicContact CD2-CE1 4.19Å; L379-L397 HydrophobicContact CD2-CD1 3.76Å; L379-L400 HydrophobicContact CB-CD1 3.92Å; L379-L400 HydrophobicContact CB-CD2 4.34Å; L379-H402 PolarHBondContact N-O 3.35Å; L379-L403 HydrophobicContact CB-CD1 4.16Å; L379-L403 HydrophobicContact CD2-CD1 4.08Å; L379-L403 HydrophobicContact CG-CD1 4.12Å; L379-D404 PolarHBondContact O-N 3.33Å; L379-D404 VanDerWaalsContact O-N 3.13Å
380	F	98.2	Very high	92.8	Very high	52 Å²	52	38 Å²	38	23%	0.228	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.6	175.5	-61.6	-68.5	0	0	0	110.4	M351 L352 D353 L354 Q355 T378 Q382 D404	M351-F380 HydrophobicContact CG-CE2 4.26Å; M351-F380 HydrophobicContact SD-CE2 4.23Å; L352-F380 PolarHBondContact O-N 3.1Å; D353-F380 HydrophobicContact CB-CB 4.43Å; D353-F380 HydrophobicContact CB-CD2 4.07Å; L354-F380 CarbonylContact C-O 3.09Å; L354-F380 WeakPolarHBondContact CA-O 3.38Å; L354-F380 WeakPolarHBondContact CB-O 3.43Å; L354-F380 PolarHBondContact N-O 2.94Å; Q355-F380 PolarHBondContact N-O 2.77Å; T378-F380 HydrophobicContact CG2-CD2 4.02Å; T378-F380 HydrophobicContact CG2-CE1 4.18Å; T378-F380 HydrophobicContact CG2-CE2 3.35Å; T378-F380 HydrophobicContact CG2-CZ 3.45Å; T378-F380 VanDerWaalsContact CG2-CZ 3.45Å; F380-Q382 VanDerWaalsContact CB-OE1 3.28Å; F380-D404 HydrophobicContact CD1-CB 4.11Å
381	L	97.4	Very high	92.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.			trans	-125.6	7.9	177.9	-77.1	168.4	0	0	0	112.2	L354 I359 I363 F370 L379 N384 I386 F394 D404 L405 N408	L354-L381 HydrophobicContact CB-CD2 3.86Å; L354-L381 HydrophobicContact CD1-CD2 4.08Å; I359-L381 HydrophobicContact CD1-CD2 4.12Å; I363-L381 HydrophobicContact CD1-CD1 4.46Å; F370-L381 HydrophobicContact CE2-CD1 4.39Å; F370-L381 HydrophobicContact CZ-CD1 4.32Å; L379-L381 HydrophobicContact CD1-CD1 4.33Å; L379-L381 HydrophobicContact CD1-CG 4.13Å; L379-L381 HydrophobicContact CD2-CD1 3.86Å; L379-L381 HydrophobicContact CG-CD1 3.97Å; L379-L381 HydrophobicContact CG-CG 4.09Å; L381-N384 WeakPolarHBondContact O-CB 3.27Å; L381-N384 PolarHBondContact O-ND2 2.78Å; L381-I386 HydrophobicContact CB-CD1 4.26Å; L381-I386 HydrophobicContact CD1-CD1 4.38Å; L381-I386 HydrophobicContact CD2-CD1 4.48Å; L381-F394 HydrophobicContact CD1-CE1 3.86Å; L381-F394 HydrophobicContact CD1-CZ 4.39Å; L381-D404 CarbonylContact C-O 3.17Å; L381-D404 WeakPolarHBondContact CA-O 3.49Å; L381-D404 PolarHBondContact N-O 3.26Å; L381-L405 HydrophobicContact CB-CD2 3.98Å; L381-L405 HydrophobicContact CD1-CD2 4.03Å; L381-N408 PolarHBondContact O-ND2 3.49Å
382	Q	97.1	Very high	92.6	Very high	22 Å²	22	44.9 Å²	44.9	10%	0.103	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	145.3	-178.5	67.5	-78.2	4.2	0	0	113.1	Q355 N356 F380 N384 D404 S406	Q355-Q382 CarbonylContact C-O 3.28Å; Q355-Q382 VanDerWaalsContact CA-O 3.24Å; Q355-Q382 WeakPolarHBondContact CA-O 3.47Å; Q355-Q382 HydrophobicContact CB-CG 3.95Å; Q355-Q382 VanDerWaalsContact CB-NE2 3.28Å; Q355-Q382 WeakPolarHBondContact CB-O 3.38Å; N356-Q382 PolarHBondContact N-O 3.11Å; F380-Q382 VanDerWaalsContact CB-OE1 3.28Å; Q382-N384 VanDerWaalsContact C-N 3.32Å; Q382-N384 PolarHBondContact O-N 2.87Å; Q382-D404 PolarHBondContact N-O 2.97Å; Q382-D404 VanDerWaalsContact N-O 3.16Å; Q382-S406 CarbonylContact C-O 3.47Å; Q382-S406 WeakPolarHBondContact CA-O 3.39Å; Q382-S406 WeakPolarHBondContact CB-O 3.47Å
383	G	96.7	Very high	92.7	Very high	23 Å²	23	43.4 Å²	43.4	24%	0.237	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	24	178.5	0	0	0	0	0	115	N356 S406	N356-G383 WeakPolarHBondContact CA-O 3.45Å; G383-S406 PolarHBondContact N-O 3.12Å
384	N	96.9	Very high	92.6	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.043	20%	0.204	C	C	.	.	S	Bend	trans	-93.1	-166.3	168.3	-81.3	-82.5	0	0	0	110.6	L354 N357 I359 L381 Q382 I386 N408	L354-N384 PolarHBondContact O-ND2 2.94Å; N357-N384 VanDerWaalsContact CA-OD1 3.3Å; N357-N384 WeakPolarHBondContact CA-OD1 3.25Å; N357-N384 WeakPolarHBondContact CB-OD1 3.33Å; N357-N384 PolarHBondContact N-OD1 3.13Å; N357-N384 PolarHBondContact O-OD1 2.95Å; I359-N384 HydrophobicContact CB-CB 4.23Å; I359-N384 VanDerWaalsContact CB-OD1 3.26Å; I359-N384 WeakPolarHBondContact CB-OD1 3.4Å; I359-N384 VanDerWaalsContact CG1-OD1 3.26Å; I359-N384 WeakPolarHBondContact CG1-OD1 3.11Å; I359-N384 PolarHBondContact N-OD1 3.02Å; L381-N384 WeakPolarHBondContact O-CB 3.27Å; L381-N384 PolarHBondContact O-ND2 2.78Å; Q382-N384 VanDerWaalsContact C-N 3.32Å; Q382-N384 PolarHBondContact O-N 2.87Å; N384-I386 HydrophobicContact CB-CD1 4.35Å; N384-I386 HydrophobicContact CB-CG1 4.3Å; N384-N408 VanDerWaalsContact CA-OD1 3.31Å; N384-N408 WeakPolarHBondContact CA-OD1 3.3Å; N384-N408 WeakPolarHBondContact CB-OD1 3.24Å; N384-N408 PolarHBondContact N-OD1 3.28Å; N384-N408 WeakPolarHBondContact O-CA 3.49Å; N384-N408 PolarHBondContact O-OD1 3.36Å
385	Q	93.3	Very high	92.6	Very high	101 Å²	101	38.7 Å²	38.7	47%	0.472	19%	0.186	S	C	.	.			trans	-111.7	20	-174.6	-57.6	-175.3	30.3	0	0	113.3	I359 S360 R387 N408	I359-Q385 CarbonylContact O-C 3.53Å; I359-Q385 WeakPolarHBondContact O-CA 3.4Å; I359-Q385 PolarHBondContact O-N 2.87Å; S360-Q385 WeakPolarHBondContact CB-O 3.19Å; Q385-R387 PolarHBondContact O-N 2.96Å; Q385-N408 PolarHBondContact N-OD1 3.45Å
386	I	92.4	Very high	92.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.			trans	-69.2	110.1	-170.8	-54.8	162.5	0	0	0	111.1	I359 I363 E364 L381 N384 S388 V389 L405 N408 I410	I359-I386 PolarHBondContact O-N 3.01Å; I363-I386 HydrophobicContact CB-CD1 4.2Å; I363-I386 HydrophobicContact CB-CG1 4.15Å; I363-I386 HydrophobicContact CB-CG2 4.04Å; I363-I386 HydrophobicContact CG1-CD1 3.76Å; I363-I386 HydrophobicContact CG1-CG1 3.99Å; I363-I386 HydrophobicContact CG2-CD1 4.23Å; I363-I386 HydrophobicContact CG2-CG2 3.85Å; E364-I386 HydrophobicContact CG-CG2 4.47Å; L381-I386 HydrophobicContact CB-CD1 4.26Å; L381-I386 HydrophobicContact CD1-CD1 4.38Å; L381-I386 HydrophobicContact CD2-CD1 4.48Å; N384-I386 HydrophobicContact CB-CD1 4.35Å; N384-I386 HydrophobicContact CB-CG1 4.3Å; I386-S388 WeakPolarHBondContact CG2-O 3.31Å; I386-V389 HydrophobicContact CG2-CG2 4.44Å; I386-L405 HydrophobicContact CD1-CD2 4.41Å; I386-N408 HydrophobicContact CB-CB 4.14Å; I386-N408 WeakPolarHBondContact CB-OD1 3.41Å; I386-N408 WeakPolarHBondContact CD1-OD1 3.28Å; I386-N408 VanDerWaalsContact CG1-OD1 3.25Å; I386-N408 WeakPolarHBondContact CG1-OD1 3.45Å; I386-N408 PolarHBondContact N-OD1 3.5Å; I386-N408 VanDerWaalsContact N-OD1 3.09Å; I386-I410 WeakPolarHBondContact O-CA 3.2Å; I386-I410 WeakPolarHBondContact O-CG1 3.07Å; I386-I410 PolarHBondContact O-N 3.17Å
387	R	90.3	Very high	91.9	Very high	105 Å²	105	34.9 Å²	34.9	40%	0.396	17%	0.174	S	C	.	.			trans	-90.7	-20.9	179	-59.7	-171.1	-175.2	-169.3	3.7	113.9	E364 Q385 M411 S412	E364-R387 PolarHBondContact OE1-N 3.02Å; Q385-R387 PolarHBondContact O-N 2.96Å; R387-M411 HydrophobicContact CB-CG 4.49Å; R387-M411 PolarHBondContact O-N 2.96Å; R387-S412 PolarHBondContact O-N 3.48Å
388	S	90	Very high	91.6	Very high	10 Å²	10	34.3 Å²	34.3	7%	0.07	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.1	-172.7	-166.9	0	0	0	0	111.4	E364 I386 S412 K486	E364-S388 WeakPolarHBondContact CG-O 3.09Å; I386-S388 WeakPolarHBondContact CG2-O 3.31Å; S388-S412 CarbonylContact C-O 3.21Å; S388-S412 WeakPolarHBondContact CA-O 3.47Å; S388-S412 PolarHBondContact OG-OG 2.99Å; S388-K486 PolarHBondContact OG-NZ 3.41Å
389	V	91.6	Very high	91.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121	173.1	179.3	0	0	0	0	109.1	I386 F394 I410 S412 I413 Q414 A417 F418	I386-V389 HydrophobicContact CG2-CG2 4.44Å; V389-F394 HydrophobicContact CG1-CD2 4.32Å; V389-F394 HydrophobicContact CG1-CE2 3.66Å; V389-I410 HydrophobicContact CG2-CD1 4.08Å; V389-I410 HydrophobicContact CG2-CG1 4.45Å; V389-I410 HydrophobicContact CG2-CG2 4.23Å; V389-S412 PolarHBondContact N-O 2.97Å; V389-I413 HydrophobicContact CB-CB 4.5Å; V389-I413 HydrophobicContact CB-CG1 4.26Å; V389-I413 HydrophobicContact CB-CG2 4.21Å; V389-I413 HydrophobicContact CG1-CG2 4.39Å; V389-I413 HydrophobicContact CG2-CG1 4.45Å; V389-Q414 PolarHBondContact O-N 3.45Å; V389-A417 HydrophobicContact CG1-CB 4.09Å; V389-F418 HydrophobicContact CG1-CE1 3.98Å
390	T	87.8	Confident	91.3	Very high	30 Å²	30	37.1 Å²	37.1	18%	0.184	19%	0.186	C	C	.	.			trans	-99.5	165	178.3	82.5	0	0	0	0	110.9	E364 K392 S393	E364-T390 VanDerWaalsContact O-CG2 3.27Å; E364-T390 WeakPolarHBondContact O-CG2 3.09Å; T390-K392 PolarHBondContact O-N 3.2Å; T390-K392 PolarHBondContact OG1-N 3.42Å; T390-K392 VanDerWaalsContact OG1-N 3.1Å; T390-S393 PolarHBondContact N-OG 3.03Å; T390-S393 WeakPolarHBondContact O-CB 3.42Å; T390-S393 PolarHBondContact O-N 2.88Å; T390-S393 PolarHBondContact O-OG 3.12Å; T390-S393 PolarHBondContact OG1-N 3.26Å; T390-S393 VanDerWaalsContact OG1-N 3.11Å; T390-S393 PolarHBondContact OG1-OG 2.96Å
391	K	85.4	Confident	91.2	Very high	101 Å²	101	36.8 Å²	36.8	44%	0.439	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.7	172.5	-171.5	176.3	176.8	-173	0	113.7
392	K	84.4	Confident	91.2	Very high	116 Å²	116	39.5 Å²	39.5	50%	0.504	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-7	179.5	-67.8	-174.5	172.6	-179.3	0	114.1	N367 G368 T390 F394 S395	N367-K392 HydrophobicContact CB-CD 4.49Å; N367-K392 WeakPolarHBondContact OD1-CD 3.28Å; N367-K392 PolarHBondContact OD1-NZ 2.9Å; G368-K392 WeakPolarHBondContact CA-O 3.24Å; G368-K392 PolarHBondContact N-O 3.15Å; G368-K392 VanDerWaalsContact N-O 3.08Å; T390-K392 PolarHBondContact O-N 3.2Å; T390-K392 PolarHBondContact OG1-N 3.42Å; T390-K392 VanDerWaalsContact OG1-N 3.1Å; K392-F394 PolarHBondContact O-N 3.2Å; K392-S395 PolarHBondContact O-N 2.94Å
393	S	85.8	Confident	91.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.5	-178.1	-58.8	0	0	0	0	113.4	I363 T390	I363-S393 WeakPolarHBondContact O-CB 3.33Å; I363-S393 PolarHBondContact O-OG 3.03Å; T390-S393 PolarHBondContact N-OG 3.03Å; T390-S393 WeakPolarHBondContact O-CB 3.42Å; T390-S393 PolarHBondContact O-N 2.88Å; T390-S393 PolarHBondContact O-OG 3.12Å; T390-S393 PolarHBondContact OG1-N 3.26Å; T390-S393 VanDerWaalsContact OG1-N 3.11Å; T390-S393 PolarHBondContact OG1-OG 2.96Å
394	F	88.3	Confident	91.2	Very high	4 Å²	4	38 Å²	38	2%	0.018	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	23.9	-177.9	-56	-57.8	0	0	0	112.8	I363 F370 L379 L381 V389 K392 G396 L397 L403 L405 F418 M421	I363-F394 HydrophobicContact CG2-CZ 4.25Å; F370-F394 HydrophobicContact CD2-CD1 4.22Å; F370-F394 HydrophobicContact CE2-CD1 4.19Å; F370-F394 HydrophobicContact CE2-CE1 4.2Å; L379-F394 HydrophobicContact CD2-CD1 4.21Å; L379-F394 HydrophobicContact CD2-CE1 4.19Å; L381-F394 HydrophobicContact CD1-CE1 3.86Å; L381-F394 HydrophobicContact CD1-CZ 4.39Å; V389-F394 HydrophobicContact CG1-CD2 4.32Å; V389-F394 HydrophobicContact CG1-CE2 3.66Å; K392-F394 PolarHBondContact O-N 3.2Å; F394-G396 PolarHBondContact O-N 2.94Å; F394-L397 HydrophobicContact CB-CD1 4.04Å; F394-L397 HydrophobicContact CD1-CD1 3.98Å; F394-L397 HydrophobicContact CG-CD1 4.47Å; F394-L397 WeakPolarHBondContact O-CB 3.41Å; F394-L397 PolarHBondContact O-N 2.84Å; F394-L403 HydrophobicContact CE1-CD1 4.46Å; F394-L403 HydrophobicContact CE2-CD2 4.31Å; F394-L403 HydrophobicContact CZ-CD2 4.47Å; F394-L405 HydrophobicContact CE2-CD1 4.32Å; F394-L405 HydrophobicContact CZ-CD1 4.25Å; F394-L405 HydrophobicContact CZ-CD2 3.96Å; F394-F418 HydrophobicContact CD2-CD1 4.46Å; F394-F418 HydrophobicContact CD2-CE1 4.46Å; F394-F418 HydrophobicContact CE2-CE1 4.12Å; F394-M421 HydrophobicContact CB-CE 4.29Å; F394-M421 HydrophobicContact CB-SD 4.15Å; F394-M421 HydrophobicContact CD2-CE 4.11Å; F394-M421 HydrophobicContact CG-CE 4.41Å; F394-M421 HydrophobicContact CG-SD 4.49Å
395	S	87.3	Confident	91.2	Very high	39 Å²	39	37.7 Å²	37.7	27%	0.273	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	131.2	177.7	-174	0	0	0	0	111.1	S371 K392	S371-S395 WeakPolarHBondContact CA-O 3.33Å; K392-S395 PolarHBondContact O-N 2.94Å
396	G	84.1	Confident	91.3	Very high	18 Å²	18	33.7 Å²	33.7	19%	0.186	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	3.2	-176	0	0	0	0	0	114.7	F394	F394-G396 PolarHBondContact O-N 2.94Å
397	L	90.3	Very high	91.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.192	C	C	.	.			trans	-102.9	37.4	177.7	-62.3	178.7	0	0	0	112.4	F370 L373 M376 L379 F394 E399 L400	F370-L397 HydrophobicContact CB-CD1 3.87Å; F370-L397 HydrophobicContact CB-CD2 3.89Å; F370-L397 HydrophobicContact CB-CG 3.92Å; F370-L397 HydrophobicContact CD2-CD1 3.85Å; F370-L397 HydrophobicContact CG-CD1 4.08Å; L373-L397 HydrophobicContact CB-CD2 4.13Å; M376-L397 HydrophobicContact CB-CD2 3.54Å; M376-L397 HydrophobicContact CG-CD2 3.75Å; L379-L397 HydrophobicContact CD2-CD1 3.76Å; F394-L397 HydrophobicContact CB-CD1 4.04Å; F394-L397 HydrophobicContact CD1-CD1 3.98Å; F394-L397 HydrophobicContact CG-CD1 4.47Å; F394-L397 WeakPolarHBondContact O-CB 3.41Å; F394-L397 PolarHBondContact O-N 2.84Å; L397-E399 PolarHBondContact O-N 2.84Å; L397-L400 HydrophobicContact CB-CB 4.2Å; L397-L400 VanDerWaalsContact O-CB 3.24Å; L397-L400 WeakPolarHBondContact O-CB 3.35Å; L397-L400 PolarHBondContact O-N 3.26Å; L397-L400 VanDerWaalsContact O-N 3.08Å
398	D	90.1	Very high	91.5	Very high	61 Å²	61	34 Å²	34	33%	0.326	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28	-173.7	-66.4	-107.4	0	0	0	113.5
399	E	94.4	Very high	91.5	Very high	87 Å²	87	35 Å²	35	41%	0.407	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	1.2	176.4	-74.7	-60.8	144	0	0	115	M376 L397 Q401 N423	M376-E399 CarbonylContact O-C 3.42Å; M376-E399 VanDerWaalsContact O-C 3.31Å; L397-E399 PolarHBondContact O-N 2.84Å; E399-Q401 WeakPolarHBondContact O-CG 3.35Å; E399-Q401 PolarHBondContact O-N 3.32Å; E399-N423 PolarHBondContact OE1-ND2 3.12Å; E399-N423 VanDerWaalsContact OE1-ND2 3.13Å; E399-N423 PolarHBondContact OE2-ND2 3.12Å
400	L	95.9	Very high	91.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.			trans	-64.9	131.4	-173.1	-163.8	77	0	0	0	112.6	M376 L379 L397 L403 M421 N423 L424	M376-L400 HydrophobicContact CB-CD1 4.36Å; M376-L400 HydrophobicContact CG-CD1 3.59Å; M376-L400 VanDerWaalsContact O-CA 3.3Å; M376-L400 WeakPolarHBondContact O-CA 3.48Å; M376-L400 PolarHBondContact O-N 3.1Å; L379-L400 HydrophobicContact CB-CD1 3.92Å; L379-L400 HydrophobicContact CB-CD2 4.34Å; L397-L400 HydrophobicContact CB-CB 4.2Å; L397-L400 VanDerWaalsContact O-CB 3.24Å; L397-L400 WeakPolarHBondContact O-CB 3.35Å; L397-L400 PolarHBondContact O-N 3.26Å; L397-L400 VanDerWaalsContact O-N 3.08Å; L400-L403 HydrophobicContact CD2-CB 3.87Å; L400-L403 HydrophobicContact CD2-CD1 4.24Å; L400-L403 HydrophobicContact CD2-CD2 4.32Å; L400-L403 HydrophobicContact CD2-CG 4.36Å; L400-M421 HydrophobicContact CB-CG 4.25Å; L400-M421 HydrophobicContact CB-SD 4.25Å; L400-M421 HydrophobicContact CD2-SD 3.48Å; L400-M421 WeakPolarHBondContact CD2-SD 3.28Å; L400-M421 HydrophobicContact CG-SD 4.47Å; L400-N423 CarbonylContact O-C 3.4Å; L400-L424 HydrophobicContact CD2-CD1 4.24Å; L400-L424 HydrophobicContact CG-CD1 4.31Å; L400-L424 WeakPolarHBondContact O-CA 3.37Å; L400-L424 PolarHBondContact O-N 3.26Å; L400-L424 VanDerWaalsContact O-N 3.09Å
401	Q	96.4	Very high	91.8	Very high	45 Å²	45	34.3 Å²	34.3	21%	0.21	18%	0.182	C	C	.	.			trans	-109.8	-37.2	-175.1	-53.1	-172.6	-0.9	0	0	112	K377 E399 Q425 E426	K377-Q401 HydrophobicContact CB-CG 4.23Å; K377-Q401 HydrophobicContact CG-CG 4.29Å; K377-Q401 CarbonylContact O-C 3.59Å; K377-Q401 WeakPolarHBondContact O-CA 3.39Å; K377-Q401 PolarHBondContact O-N 3.21Å; E399-Q401 WeakPolarHBondContact O-CG 3.35Å; E399-Q401 PolarHBondContact O-N 3.32Å; Q401-Q425 WeakPolarHBondContact O-CA 3.16Å; Q401-Q425 PolarHBondContact O-N 2.91Å; Q401-E426 PolarHBondContact O-N 2.87Å
402	H	97.4	Very high	92	Very high	57 Å²	57	30.2 Å²	30.2	26%	0.264	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.4	179.7	-56.7	-94.2	0	0	0	111.2	K377 T378 L379 E426	K377-H402 PolarHBondContact O-N 2.97Å; T378-H402 WeakPolarHBondContact CA-O 3.42Å; T378-H402 HydrophobicContact CG2-CB 4.2Å; L379-H402 PolarHBondContact N-O 3.35Å; H402-E426 IonicContact CE1-OE2 3.21Å; H402-E426 IonicContact CG-OE2 2.73Å; H402-E426 WeakPolarHBondContact ND1-CB 3Å; H402-E426 IonicContact ND1-OE2 2.87Å; H402-E426 PolarHBondContact ND1-OE2 3.35Å
403	L	96.8	Very high	92.4	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	121.3	176.7	179.3	56.4	0	0	0	110.5	L379 F394 L400 L405 M421 L424 E426 L427 R428	L379-L403 HydrophobicContact CB-CD1 4.16Å; L379-L403 HydrophobicContact CD2-CD1 4.08Å; L379-L403 HydrophobicContact CG-CD1 4.12Å; F394-L403 HydrophobicContact CE1-CD1 4.46Å; F394-L403 HydrophobicContact CE2-CD2 4.31Å; F394-L403 HydrophobicContact CZ-CD2 4.47Å; L400-L403 HydrophobicContact CD2-CB 3.87Å; L400-L403 HydrophobicContact CD2-CD1 4.24Å; L400-L403 HydrophobicContact CD2-CD2 4.32Å; L400-L403 HydrophobicContact CD2-CG 4.36Å; L403-L405 HydrophobicContact CD1-CD2 4.3Å; L403-L405 HydrophobicContact CD1-CG 4.14Å; L403-L405 HydrophobicContact CD2-CD1 4.04Å; L403-L405 HydrophobicContact CD2-CG 4.42Å; L403-L405 HydrophobicContact CG-CD1 4.21Å; L403-L405 HydrophobicContact CG-CG 4.06Å; L403-M421 HydrophobicContact CD2-CE 3.89Å; L403-M421 HydrophobicContact CD2-SD 4.03Å; L403-L424 HydrophobicContact CB-CD1 4.04Å; L403-E426 PolarHBondContact N-O 2.68Å; L403-L427 HydrophobicContact CB-CD1 4.19Å; L403-L427 HydrophobicContact CD2-CD1 4.03Å; L403-L427 HydrophobicContact CG-CD1 4.04Å; L403-R428 PolarHBondContact O-N 3.08Å
404	D	97.3	Very high	92.6	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.064	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.6	174.4	-163.6	-16.7	0	0	0	111.5	L379 F380 L381 Q382 S406 R428	L379-D404 PolarHBondContact O-N 3.33Å; L379-D404 VanDerWaalsContact O-N 3.13Å; F380-D404 HydrophobicContact CD1-CB 4.11Å; L381-D404 CarbonylContact C-O 3.17Å; L381-D404 WeakPolarHBondContact CA-O 3.49Å; L381-D404 PolarHBondContact N-O 3.26Å; Q382-D404 PolarHBondContact N-O 2.97Å; Q382-D404 VanDerWaalsContact N-O 3.16Å; D404-S406 WeakPolarHBondContact OD1-CB 3.48Å; D404-S406 PolarHBondContact OD1-N 2.89Å; D404-S406 PolarHBondContact OD1-OG 3.02Å; D404-R428 HydrophobicContact CB-CB 4.09Å; D404-R428 WeakPolarHBondContact OD1-CB 3.45Å; D404-R428 WeakPolarHBondContact OD2-CD 3.33Å; D404-R428 IonicContact OD2-NH1 3.18Å
405	L	96.4	Very high	92.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.			trans	-112.6	10.8	179.2	-68.2	171.8	0	0	0	112.2	L381 I386 F394 L403 N408 I410 F418 L427 R428 L429	L381-L405 HydrophobicContact CB-CD2 3.98Å; L381-L405 HydrophobicContact CD1-CD2 4.03Å; I386-L405 HydrophobicContact CD1-CD2 4.41Å; F394-L405 HydrophobicContact CE2-CD1 4.32Å; F394-L405 HydrophobicContact CZ-CD1 4.25Å; F394-L405 HydrophobicContact CZ-CD2 3.96Å; L403-L405 HydrophobicContact CD1-CD2 4.3Å; L403-L405 HydrophobicContact CD1-CG 4.14Å; L403-L405 HydrophobicContact CD2-CD1 4.04Å; L403-L405 HydrophobicContact CD2-CG 4.42Å; L403-L405 HydrophobicContact CG-CD1 4.21Å; L403-L405 HydrophobicContact CG-CG 4.06Å; L405-N408 PolarHBondContact O-ND2 3.28Å; L405-I410 HydrophobicContact CB-CD1 3.9Å; L405-I410 HydrophobicContact CD1-CD1 4.39Å; L405-F418 HydrophobicContact CD1-CE1 4.14Å; L405-F418 HydrophobicContact CD1-CZ 4.19Å; L405-L427 HydrophobicContact CD1-CD1 4.43Å; L405-R428 PolarHBondContact N-O 3.13Å; L405-L429 HydrophobicContact CB-CD1 4.31Å
406	S	95.6	Very high	92.8	Very high	17 Å²	17	32.5 Å²	32.5	12%	0.119	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	148.4	-174.4	-56.3	0	0	0	0	113.3	Q382 G383 D404 N408	Q382-S406 CarbonylContact C-O 3.47Å; Q382-S406 WeakPolarHBondContact CA-O 3.39Å; Q382-S406 WeakPolarHBondContact CB-O 3.47Å; G383-S406 PolarHBondContact N-O 3.12Å; D404-S406 WeakPolarHBondContact OD1-CB 3.48Å; D404-S406 PolarHBondContact OD1-N 2.89Å; D404-S406 PolarHBondContact OD1-OG 3.02Å; S406-N408 PolarHBondContact O-N 3.28Å; S406-N408 PolarHBondContact O-ND2 3.07Å
407	N	93.7	Very high	93.1	Very high	102 Å²	102	31.9 Å²	31.9	55%	0.545	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	23.2	171.3	-43.1	-35.4	0	0	0	115.1	N430	N407-N430 PolarHBondContact N-O 2.96Å; N407-N430 PolarHBondContact OD1-ND2 3.22Å
408	N	92.8	Very high	93.2	Very high	10 Å²	10	31.9 Å²	31.9	5%	0.053	18%	0.177	C	C	.	.	S	Bend	trans	-87.7	-15.5	177.3	-90.6	-84.5	0	0	0	115.1	L381 N384 Q385 I386 L405 S406 I410	L381-N408 PolarHBondContact O-ND2 3.49Å; N384-N408 VanDerWaalsContact CA-OD1 3.31Å; N384-N408 WeakPolarHBondContact CA-OD1 3.3Å; N384-N408 WeakPolarHBondContact CB-OD1 3.24Å; N384-N408 PolarHBondContact N-OD1 3.28Å; N384-N408 WeakPolarHBondContact O-CA 3.49Å; N384-N408 PolarHBondContact O-OD1 3.36Å; Q385-N408 PolarHBondContact N-OD1 3.45Å; I386-N408 HydrophobicContact CB-CB 4.14Å; I386-N408 WeakPolarHBondContact CB-OD1 3.41Å; I386-N408 WeakPolarHBondContact CD1-OD1 3.28Å; I386-N408 VanDerWaalsContact CG1-OD1 3.25Å; I386-N408 WeakPolarHBondContact CG1-OD1 3.45Å; I386-N408 PolarHBondContact N-OD1 3.5Å; I386-N408 VanDerWaalsContact N-OD1 3.09Å; L405-N408 PolarHBondContact O-ND2 3.28Å; S406-N408 PolarHBondContact O-N 3.28Å; S406-N408 PolarHBondContact O-ND2 3.07Å; N408-I410 HydrophobicContact CB-CD1 4.09Å; N408-I410 HydrophobicContact CB-CG1 3.8Å
409	G	90.9	Very high	92.9	Very high	31 Å²	31	31.8 Å²	31.8	32%	0.32	18%	0.18	S	C	.	.			trans	72.7	25.7	-172.3	0	0	0	0	0	114	M411	G409-M411 WeakPolarHBondContact O-CG 3.42Å; G409-M411 PolarHBondContact O-N 3.24Å
410	I	93.4	Very high	92.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.174	C	C	.	.			trans	-54.2	124.8	-178.3	-65	163.9	0	0	0	110.7	I386 V389 L405 N408 I413 L429 T431 L434	I386-I410 WeakPolarHBondContact O-CA 3.2Å; I386-I410 WeakPolarHBondContact O-CG1 3.07Å; I386-I410 PolarHBondContact O-N 3.17Å; V389-I410 HydrophobicContact CG2-CD1 4.08Å; V389-I410 HydrophobicContact CG2-CG1 4.45Å; V389-I410 HydrophobicContact CG2-CG2 4.23Å; L405-I410 HydrophobicContact CB-CD1 3.9Å; L405-I410 HydrophobicContact CD1-CD1 4.39Å; N408-I410 HydrophobicContact CB-CD1 4.09Å; N408-I410 HydrophobicContact CB-CG1 3.8Å; I410-I413 HydrophobicContact CG2-CD1 3.97Å; I410-I413 HydrophobicContact CG2-CG1 3.59Å; I410-L429 HydrophobicContact CD1-CD1 3.77Å; I410-T431 PolarHBondContact O-OG1 3.25Å; I410-L434 HydrophobicContact CG2-CD2 4.21Å; I410-L434 WeakPolarHBondContact O-CD2 3.42Å
411	M	91.6	Very high	92.2	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.074	18%	0.176	C	C	.	.			trans	-107.3	-31.4	-176.9	-49.9	-163.2	72.4	0	0	113	R387 G409 S433 L434 L435 H579 F580	R387-M411 HydrophobicContact CB-CG 4.49Å; R387-M411 PolarHBondContact O-N 2.96Å; G409-M411 WeakPolarHBondContact O-CG 3.42Å; G409-M411 PolarHBondContact O-N 3.24Å; M411-S433 WeakPolarHBondContact CA-O 3.15Å; M411-L434 CarbonylContact O-C 3.56Å; M411-L434 WeakPolarHBondContact O-CA 3.2Å; M411-L435 PolarHBondContact O-N 3.01Å; M411-H579 VanDerWaalsContact CE-O 3.27Å; M411-H579 WeakPolarHBondContact CE-O 3.35Å; M411-F580 HydrophobicContact CE-CD1 4.49Å
412	S	90.3	Very high	91.8	Very high	15 Å²	15	36.3 Å²	36.3	11%	0.105	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.7	-179.6	44.8	0	0	0	0	111.6	R387 S388 V389 K486	R387-S412 PolarHBondContact O-N 3.48Å; S388-S412 CarbonylContact C-O 3.21Å; S388-S412 WeakPolarHBondContact CA-O 3.47Å; S388-S412 PolarHBondContact OG-OG 2.99Å; V389-S412 PolarHBondContact N-O 2.97Å; S412-K486 PolarHBondContact OG-NZ 2.76Å; S412-K486 VanDerWaalsContact OG-NZ 3.07Å
413	I	92.4	Very high	91.6	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	116.6	176.4	-56.1	177.5	0	0	0	106.8	V389 I410 A417 F418 L429 L434 L440 W442 L443	V389-I413 HydrophobicContact CB-CB 4.5Å; V389-I413 HydrophobicContact CB-CG1 4.26Å; V389-I413 HydrophobicContact CB-CG2 4.21Å; V389-I413 HydrophobicContact CG1-CG2 4.39Å; V389-I413 HydrophobicContact CG2-CG1 4.45Å; I410-I413 HydrophobicContact CG2-CD1 3.97Å; I410-I413 HydrophobicContact CG2-CG1 3.59Å; I413-A417 HydrophobicContact CG2-CB 3.96Å; I413-F418 HydrophobicContact CD1-CZ 4.42Å; I413-F418 HydrophobicContact CG2-CE2 4.32Å; I413-F418 HydrophobicContact CG2-CZ 4.13Å; I413-L429 HydrophobicContact CD1-CD2 3.92Å; I413-L434 HydrophobicContact CD1-CD2 4.22Å; I413-L434 HydrophobicContact CG1-CD2 4.3Å; I413-L440 HydrophobicContact CB-CD1 4.08Å; I413-L440 HydrophobicContact CG1-CD1 4.49Å; I413-W442 HydrophobicContact CG2-CZ2 3.93Å; I413-L443 HydrophobicContact CD1-CD2 3.95Å
414	Q	89.9	Confident	91.5	Very high	89 Å²	89	37.3 Å²	37.3	42%	0.416	21%	0.206	S	C	.	.			trans	-63.4	151.5	-174.6	-170.4	174.5	17.2	0	0	112.3	V389 N416 A417 W442	V389-Q414 PolarHBondContact O-N 3.45Å; Q414-N416 PolarHBondContact O-N 3.3Å; Q414-N416 VanDerWaalsContact O-N 3.14Å; Q414-A417 HydrophobicContact CB-CB 4.4Å; Q414-A417 VanDerWaalsContact O-CB 3.3Å; Q414-A417 WeakPolarHBondContact O-CB 3.18Å; Q414-A417 PolarHBondContact O-N 2.84Å; Q414-W442 WeakPolarHBondContact O-CZ2 3.27Å; Q414-W442 PolarHBondContact O-NE1 3.18Å
415	A	90.2	Very high	91.3	Very high	35 Å²	35	42.4 Å²	42.4	29%	0.289	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	118.9	173.4	0	0	0	0	0	112.6	A417	A415-A417 VanDerWaalsContact C-N 3.32Å; A415-A417 PolarHBondContact O-N 2.88Å
416	N	88.9	Confident	91.2	Very high	79 Å²	79	44.5 Å²	44.5	42%	0.422	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	29.2	-178.6	-57.1	-67.9	0	0	0	115.5	Q414 F418 S419	Q414-N416 PolarHBondContact O-N 3.3Å; Q414-N416 VanDerWaalsContact O-N 3.14Å; N416-F418 PolarHBondContact O-N 2.99Å; N416-S419 WeakPolarHBondContact O-CB 3.45Å; N416-S419 PolarHBondContact O-N 3.24Å; N416-S419 PolarHBondContact O-OG 3.08Å; N416-S419 VanDerWaalsContact O-OG 3.14Å
417	A	90.7	Very high	91.2	Very high	6 Å²	6	43.7 Å²	43.7	5%	0.05	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.2	-176.6	0	0	0	0	0	115.2	V389 I413 Q414 A415 W442	V389-A417 HydrophobicContact CG1-CB 4.09Å; I413-A417 HydrophobicContact CG2-CB 3.96Å; Q414-A417 HydrophobicContact CB-CB 4.4Å; Q414-A417 VanDerWaalsContact O-CB 3.3Å; Q414-A417 WeakPolarHBondContact O-CB 3.18Å; Q414-A417 PolarHBondContact O-N 2.84Å; A415-A417 VanDerWaalsContact C-N 3.32Å; A415-A417 PolarHBondContact O-N 2.88Å; A417-W442 HydrophobicContact CB-CZ2 4.32Å
418	F	91.1	Very high	91.4	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	3.6	179	-53.9	-40.4	0	0	0	114.1	V389 F394 L405 I413 N416 Q420 M421 L427 W442 L443 W446	V389-F418 HydrophobicContact CG1-CE1 3.98Å; F394-F418 HydrophobicContact CD2-CD1 4.46Å; F394-F418 HydrophobicContact CD2-CE1 4.46Å; F394-F418 HydrophobicContact CE2-CE1 4.12Å; L405-F418 HydrophobicContact CD1-CE1 4.14Å; L405-F418 HydrophobicContact CD1-CZ 4.19Å; I413-F418 HydrophobicContact CD1-CZ 4.42Å; I413-F418 HydrophobicContact CG2-CE2 4.32Å; I413-F418 HydrophobicContact CG2-CZ 4.13Å; N416-F418 PolarHBondContact O-N 2.99Å; F418-Q420 VanDerWaalsContact C-N 3.29Å; F418-Q420 PolarHBondContact O-N 2.95Å; F418-M421 HydrophobicContact CB-CE 3.82Å; F418-M421 HydrophobicContact CD1-CE 3.58Å; F418-M421 HydrophobicContact CG-CE 4.08Å; F418-M421 PolarHBondContact O-N 3.25Å; F418-L427 HydrophobicContact CD2-CD2 4Å; F418-L427 HydrophobicContact CE2-CD2 3.71Å; F418-L427 HydrophobicContact CZ-CD2 4.34Å; F418-W442 HydrophobicContact CB-CH2 4.03Å; F418-W442 HydrophobicContact CB-CZ3 4.45Å; F418-W442 AromaticContact CD2-CH2 3.54Å; F418-W442 HydrophobicContact CD2-CH2 3.54Å; F418-W442 HydrophobicContact CD2-CZ2 4.44Å; F418-W442 HydrophobicContact CD2-CZ3 4.28Å; F418-W442 HydrophobicContact CE2-CH2 4.24Å; F418-W442 AromaticContact CG-CH2 3.95Å; F418-W442 HydrophobicContact CG-CH2 3.95Å; F418-L443 HydrophobicContact CD2-CD1 4.11Å; F418-L443 HydrophobicContact CE2-CD1 3.83Å; F418-W446 HydrophobicContact CB-CH2 3.59Å; F418-W446 HydrophobicContact CB-CZ2 3.6Å; F418-W446 HydrophobicContact CB-CZ3 4.27Å; F418-W446 HydrophobicContact CD2-CE3 4.23Å; F418-W446 AromaticContact CD2-CH2 3.77Å; F418-W446 HydrophobicContact CD2-CH2 3.77Å; F418-W446 HydrophobicContact CD2-CZ2 4.5Å; F418-W446 AromaticContact CD2-CZ3 3.63Å; F418-W446 HydrophobicContact CD2-CZ3 3.63Å; F418-W446 HydrophobicContact CE2-CZ3 4.46Å; F418-W446 HydrophobicContact CG-CH2 4.04Å; F418-W446 HydrophobicContact CG-CZ3 4.36Å
419	S	84.1	Confident	91.5	Very high	58 Å²	58	43.1 Å²	43.1	41%	0.406	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9	-167.5	75.5	0	0	0	0	116.4	N416	N416-S419 WeakPolarHBondContact O-CB 3.45Å; N416-S419 PolarHBondContact O-N 3.24Å; N416-S419 PolarHBondContact O-OG 3.08Å; N416-S419 VanDerWaalsContact O-OG 3.14Å
420	Q	85.9	Confident	91.6	Very high	57 Å²	57	44.7 Å²	44.7	27%	0.266	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-31.8	173.3	-73.2	-176.6	-98.6	0	0	112.5	F418 K422	F418-Q420 VanDerWaalsContact C-N 3.29Å; F418-Q420 PolarHBondContact O-N 2.95Å; Q420-K422 VanDerWaalsContact C-N 3.26Å; Q420-K422 PolarHBondContact O-N 3.36Å
421	M	90.3	Very high	91.6	Very high	8 Å²	8	45 Å²	45	4%	0.039	23%	0.227	C	C	.	.			trans	-78.7	73.8	-175.2	-61.5	176.1	-73.4	0	0	110.2	F394 L400 L403 F418 N423 L424	F394-M421 HydrophobicContact CB-CE 4.29Å; F394-M421 HydrophobicContact CB-SD 4.15Å; F394-M421 HydrophobicContact CD2-CE 4.11Å; F394-M421 HydrophobicContact CG-CE 4.41Å; F394-M421 HydrophobicContact CG-SD 4.49Å; L400-M421 HydrophobicContact CB-CG 4.25Å; L400-M421 HydrophobicContact CB-SD 4.25Å; L400-M421 HydrophobicContact CD2-SD 3.48Å; L400-M421 WeakPolarHBondContact CD2-SD 3.28Å; L400-M421 HydrophobicContact CG-SD 4.47Å; L403-M421 HydrophobicContact CD2-CE 3.89Å; L403-M421 HydrophobicContact CD2-SD 4.03Å; F418-M421 HydrophobicContact CB-CE 3.82Å; F418-M421 HydrophobicContact CD1-CE 3.58Å; F418-M421 HydrophobicContact CG-CE 4.08Å; F418-M421 PolarHBondContact O-N 3.25Å; M421-N423 VanDerWaalsContact C-N 3.28Å; M421-N423 PolarHBondContact O-N 2.81Å; M421-L424 HydrophobicContact CB-CB 4.22Å; M421-L424 WeakPolarHBondContact O-CB 3.42Å
422	K	88.9	Confident	91.7	Very high	163 Å²	163	48.2 Å²	48.2	71%	0.709	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-28.2	-176.3	-66.3	163.5	-167.1	152.8	0	112.6	Q420 L424	Q420-K422 VanDerWaalsContact C-N 3.26Å; Q420-K422 PolarHBondContact O-N 3.36Å; K422-L424 VanDerWaalsContact C-N 3.34Å
423	N	93.1	Very high	91.8	Very high	64 Å²	64	49.1 Å²	49.1	34%	0.342	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	10.9	-175.2	-63.1	-4	0	0	0	112.8	E399 L400 M421 Q425	E399-N423 PolarHBondContact OE1-ND2 3.12Å; E399-N423 VanDerWaalsContact OE1-ND2 3.13Å; E399-N423 PolarHBondContact OE2-ND2 3.12Å; L400-N423 CarbonylContact O-C 3.4Å; M421-N423 VanDerWaalsContact C-N 3.28Å; M421-N423 PolarHBondContact O-N 2.81Å; N423-Q425 PolarHBondContact O-N 3.01Å
424	L	94.3	Very high	91.8	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	26%	0.256	C	S	.	.			trans	-68.1	127.4	-176.9	-161.2	73.2	0	0	0	111.3	L400 L403 M421 K422 L427 W446 F452	L400-L424 HydrophobicContact CD2-CD1 4.24Å; L400-L424 HydrophobicContact CG-CD1 4.31Å; L400-L424 WeakPolarHBondContact O-CA 3.37Å; L400-L424 PolarHBondContact O-N 3.26Å; L400-L424 VanDerWaalsContact O-N 3.09Å; L403-L424 HydrophobicContact CB-CD1 4.04Å; M421-L424 HydrophobicContact CB-CB 4.22Å; M421-L424 WeakPolarHBondContact O-CB 3.42Å; K422-L424 VanDerWaalsContact C-N 3.34Å; L424-L427 HydrophobicContact CD2-CB 4.18Å; L424-W446 HydrophobicContact CD2-CH2 3.97Å; L424-F452 HydrophobicContact CB-CZ 4.39Å; L424-F452 HydrophobicContact CD2-CE2 3.97Å; L424-F452 HydrophobicContact CD2-CZ 4.28Å; L424-F452 HydrophobicContact CG-CE2 4.44Å; L424-F452 HydrophobicContact CG-CZ 4.26Å; L424-F452 WeakPolarHBondContact O-CZ 3.48Å
425	Q	93.7	Very high	92	Very high	120 Å²	120	45 Å²	45	56%	0.561	24%	0.238	S	C	*	.			trans	-113.3	-24.6	-178.7	-63.5	171.8	43.3	0	0	112.1	Q401 N423 F452	Q401-Q425 WeakPolarHBondContact O-CA 3.16Å; Q401-Q425 PolarHBondContact O-N 2.91Å; N423-Q425 PolarHBondContact O-N 3.01Å; Q425-F452 VanDerWaalsContact O-CE1 3.28Å; Q425-F452 WeakPolarHBondContact O-CE1 3.46Å
426	E	94.2	Very high	92.2	Very high	44 Å²	44	43.4 Å²	43.4	21%	0.206	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	120.7	178.5	-170.3	179.7	-166.3	0	0	111.2	Q401 H402 L403 R428	Q401-E426 PolarHBondContact O-N 2.87Å; H402-E426 IonicContact CE1-OE2 3.21Å; H402-E426 IonicContact CG-OE2 2.73Å; H402-E426 WeakPolarHBondContact ND1-CB 3Å; H402-E426 IonicContact ND1-OE2 2.87Å; H402-E426 PolarHBondContact ND1-OE2 3.35Å; L403-E426 PolarHBondContact N-O 2.68Å; E426-R428 HydrophobicContact CG-CG 4.34Å; E426-R428 IonicContact OE1-CZ 2.75Å; E426-R428 IonicContact OE1-NE 2.72Å; E426-R428 PolarHBondContact OE1-NE 3.29Å; E426-R428 IonicContact OE1-NH2 3.52Å; E426-R428 PolarHBondContact OE1-NH2 3.08Å; E426-R428 IonicContact OE2-NH2 3.16Å
427	L	95.5	Very high	92.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.1	164	176.9	63.6	0	0	0	109.3	L403 L405 F418 L424 W446 F452 C455 V456	L403-L427 HydrophobicContact CB-CD1 4.19Å; L403-L427 HydrophobicContact CD2-CD1 4.03Å; L403-L427 HydrophobicContact CG-CD1 4.04Å; L405-L427 HydrophobicContact CD1-CD1 4.43Å; F418-L427 HydrophobicContact CD2-CD2 4Å; F418-L427 HydrophobicContact CE2-CD2 3.71Å; F418-L427 HydrophobicContact CZ-CD2 4.34Å; L424-L427 HydrophobicContact CD2-CB 4.18Å; L427-W446 HydrophobicContact CD2-CH2 4.23Å; L427-W446 HydrophobicContact CD2-CZ3 3.73Å; L427-F452 HydrophobicContact CB-CD2 3.81Å; L427-F452 HydrophobicContact CB-CE2 4.2Å; L427-F452 HydrophobicContact CB-CG 4.32Å; L427-C455 WeakPolarHBondContact O-CB 3.3Å; L427-V456 HydrophobicContact CD2-CG2 4.31Å; L427-V456 HydrophobicContact CG-CG2 4.31Å
428	R	96.5	Very high	92.3	Very high	99 Å²	99	43.2 Å²	43.2	37%	0.374	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.3	167.5	-67.7	176.1	-173.8	167	11.8	110.4	L403 D404 L405 E426 C455	L403-R428 PolarHBondContact O-N 3.08Å; D404-R428 HydrophobicContact CB-CB 4.09Å; D404-R428 WeakPolarHBondContact OD1-CB 3.45Å; D404-R428 WeakPolarHBondContact OD2-CD 3.33Å; D404-R428 IonicContact OD2-NH1 3.18Å; L405-R428 PolarHBondContact N-O 3.13Å; E426-R428 HydrophobicContact CG-CG 4.34Å; E426-R428 IonicContact OE1-CZ 2.75Å; E426-R428 IonicContact OE1-NE 2.72Å; E426-R428 PolarHBondContact OE1-NE 3.29Å; E426-R428 IonicContact OE1-NH2 3.52Å; E426-R428 PolarHBondContact OE1-NH2 3.08Å; E426-R428 IonicContact OE2-NH2 3.16Å; R428-C455 WeakPolarHBondContact CA-O 3.48Å; R428-C455 HydrophobicContact CG-CB 4.14Å
429	L	94.9	Very high	92.3	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	117.3	-179.8	172.8	63.6	0	0	0	108.9	L405 I410 I413 T431 L443 C455 V456 N457	L405-L429 HydrophobicContact CB-CD1 4.31Å; I410-L429 HydrophobicContact CD1-CD1 3.77Å; I413-L429 HydrophobicContact CD1-CD2 3.92Å; L429-T431 HydrophobicContact CD1-CG2 3.94Å; L429-T431 HydrophobicContact CG-CG2 4.24Å; L429-L443 HydrophobicContact CD2-CD2 4.46Å; L429-C455 PolarHBondContact N-O 2.75Å; L429-V456 HydrophobicContact CB-CG1 4.11Å; L429-V456 HydrophobicContact CB-CG2 4.37Å; L429-V456 HydrophobicContact CD2-CG1 4.18Å; L429-V456 HydrophobicContact CG-CG1 4.37Å; L429-V456 CarbonylContact O-C 3.3Å; L429-V456 WeakPolarHBondContact O-CA 3.19Å; L429-N457 PolarHBondContact O-N 3.43Å
430	N	93.5	Very high	92.7	Very high	64 Å²	64	44.3 Å²	44.3	34%	0.342	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	107.7	176.3	-176.3	40.3	0	0	0	109.1	N407 N457	N407-N430 PolarHBondContact N-O 2.96Å; N407-N430 PolarHBondContact OD1-ND2 3.22Å; N430-N457 WeakPolarHBondContact CA-O 3.43Å; N430-N457 PolarHBondContact OD1-ND2 3.13Å
431	T	93.5	Very high	93.1	Very high	8 Å²	8	45.4 Å²	45.4	5%	0.049	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	142.7	179	177.6	0	0	0	0	111.9	I410 L429 S433 L434 N457 A458 S459	I410-T431 PolarHBondContact O-OG1 3.25Å; L429-T431 HydrophobicContact CD1-CG2 3.94Å; L429-T431 HydrophobicContact CG-CG2 4.24Å; T431-S433 PolarHBondContact OG1-N 3.39Å; T431-S433 VanDerWaalsContact OG1-N 3.17Å; T431-L434 HydrophobicContact CG2-CD1 3.65Å; T431-L434 HydrophobicContact CG2-CD2 4.1Å; T431-L434 HydrophobicContact CG2-CG 3.69Å; T431-N457 PolarHBondContact N-O 2.65Å; T431-A458 WeakPolarHBondContact O-CA 3.5Å; T431-S459 PolarHBondContact O-N 2.85Å
432	S	93.4	Very high	93.3	Very high	81 Å²	81	46.4 Å²	46.4	57%	0.566	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.3	25.3	171.9	66.7	0	0	0	0	111.9	S459	S432-S459 CarbonylContact C-O 3.14Å; S432-S459 WeakPolarHBondContact CA-OG 3.48Å; S432-S459 VanDerWaalsContact CB-OG 3.3Å; S432-S459 WeakPolarHBondContact CB-OG 3.49Å
433	S	92.3	Very high	93.6	Very high	34 Å²	34	38.7 Å²	38.7	24%	0.238	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	6.2	-170	-58.6	0	0	0	0	113.4	M411 T431	M411-S433 WeakPolarHBondContact CA-O 3.15Å; T431-S433 PolarHBondContact OG1-N 3.39Å; T431-S433 VanDerWaalsContact OG1-N 3.17Å
434	L	93.8	Very high	93.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	139.7	-166.6	-70.9	167	0	0	0	114	I410 M411 I413 T431 C436 L440 A458 S459 C460 A461 H462 V471	I410-L434 HydrophobicContact CG2-CD2 4.21Å; I410-L434 WeakPolarHBondContact O-CD2 3.42Å; M411-L434 CarbonylContact O-C 3.56Å; M411-L434 WeakPolarHBondContact O-CA 3.2Å; I413-L434 HydrophobicContact CD1-CD2 4.22Å; I413-L434 HydrophobicContact CG1-CD2 4.3Å; T431-L434 HydrophobicContact CG2-CD1 3.65Å; T431-L434 HydrophobicContact CG2-CD2 4.1Å; T431-L434 HydrophobicContact CG2-CG 3.69Å; L434-C436 PolarHBondContact O-N 3.1Å; L434-L440 HydrophobicContact CB-CD2 4.08Å; L434-L440 HydrophobicContact CD1-CD2 4.16Å; L434-L440 HydrophobicContact CD2-CD1 4.33Å; L434-A458 HydrophobicContact CD1-CB 3.78Å; L434-S459 PolarHBondContact N-O 3.06Å; L434-C460 WeakPolarHBondContact O-CA 3.2Å; L434-A461 PolarHBondContact O-N 3.38Å; L434-H462 PolarHBondContact O-N 2.85Å; L434-V471 HydrophobicContact CD1-CG1 4.03Å
435	L	92.9	Very high	93.6	Very high	7 Å²	7	39.6 Å²	39.6	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	109	159.5	-60.1	-180	0	0	0	108.2	M411 D437 L440 H462 P485 K486 F580	M411-L435 PolarHBondContact O-N 3.01Å; L435-D437 PolarHBondContact O-N 2.7Å; L435-D437 VanDerWaalsContact O-N 3.12Å; L435-L440 WeakPolarHBondContact O-CD2 3.33Å; L435-H462 HydrophobicContact CD2-CB 3.75Å; L435-P485 HydrophobicContact CD1-CG 4.5Å; L435-P485 HydrophobicContact CD2-CG 3.92Å; L435-K486 HydrophobicContact CD1-CB 4Å; L435-F580 HydrophobicContact CD2-CB 4.29Å; L435-F580 HydrophobicContact CD2-CD1 3.62Å; L435-F580 HydrophobicContact CD2-CE1 4.35Å; L435-F580 HydrophobicContact CD2-CG 4.29Å
436	C	93.9	Very high	93.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.182	C	C	.	.			trans	-88.1	58.8	176.6	-71.6	0	0	0	0	111.1	L434 L440 C460 H462 L466 F479	L434-C436 PolarHBondContact O-N 3.1Å; C436-L440 HydrophobicContact CB-CD2 4.41Å; C436-C460 HydrophobicContact CB-CB 3.81Å; C436-C460 WeakPolarHBondContact CB-SG 3.17Å; C436-C460 VanDerWaalsContact SG-CA 3.51Å; C436-C460 WeakPolarHBondContact SG-CB 3.31Å; C436-C460 CovalentContact SG-SG 2.02Å; C436-C460 PolarHBondContact SG-SG 3.22Å; C436-H462 PolarHBondContact N-O 2.78Å; C436-L466 HydrophobicContact CB-CD1 3.85Å; C436-F479 HydrophobicContact CB-CD1 4.15Å; C436-F479 HydrophobicContact CB-CE1 3.87Å
437	D	91.6	Very high	93.5	Very high	34 Å²	34	33.4 Å²	33.4	18%	0.182	17%	0.172	C	C	.	.	S	Bend	trans	-91.4	-176.8	176.5	67.7	15.8	0	0	0	112	L435 Q439 L440 K441 F479 V480	L435-D437 PolarHBondContact O-N 2.7Å; L435-D437 VanDerWaalsContact O-N 3.12Å; D437-Q439 PolarHBondContact O-N 3.11Å; D437-Q439 VanDerWaalsContact OD1-CA 3.31Å; D437-Q439 WeakPolarHBondContact OD1-CA 3.3Å; D437-Q439 WeakPolarHBondContact OD1-CB 3.48Å; D437-Q439 PolarHBondContact OD1-N 1.94Å; D437-L440 PolarHBondContact O-N 2.63Å; D437-L440 VanDerWaalsContact O-N 3.13Å; D437-L440 PolarHBondContact OD1-N 2.97Å; D437-L440 VanDerWaalsContact OD1-N 3.13Å; D437-K441 PolarHBondContact O-N 2.97Å; D437-F479 WeakPolarHBondContact O-CD1 3.11Å; D437-V480 CarbonylContact C-O 3.55Å; D437-V480 WeakPolarHBondContact CA-O 3.19Å; D437-V480 WeakPolarHBondContact CB-O 3.41Å
438	C	91.1	Very high	93.3	Very high	48 Å²	48	39.6 Å²	39.6	32%	0.324	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.1	176.3	82.5	0	0	0	0	114.3	K441 F479 V480 C481	C438-K441 WeakPolarHBondContact O-CB 2.96Å; C438-F479 WeakPolarHBondContact CA-O 3.39Å; C438-F479 WeakPolarHBondContact CB-O 3.48Å; C438-V480 PolarHBondContact N-O 2.65Å; C438-C481 VanDerWaalsContact CA-SG 3.55Å; C438-C481 HydrophobicContact CB-CB 3.87Å; C438-C481 WeakPolarHBondContact CB-SG 3.46Å; C438-C481 PolarHBondContact N-SG 2.97Å; C438-C481 WeakPolarHBondContact SG-CB 3.45Å; C438-C481 CovalentContact SG-SG 2.03Å; C438-C481 PolarHBondContact SG-SG 2.88Å
439	Q	90.3	Very high	93	Very high	81 Å²	81	42.9 Å²	42.9	38%	0.379	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-28.7	174.4	-56.8	-62.9	-51.3	0	0	111.7	D437 W442	D437-Q439 PolarHBondContact O-N 3.11Å; D437-Q439 VanDerWaalsContact OD1-CA 3.31Å; D437-Q439 WeakPolarHBondContact OD1-CA 3.3Å; D437-Q439 WeakPolarHBondContact OD1-CB 3.48Å; D437-Q439 PolarHBondContact OD1-N 1.94Å; Q439-W442 PolarHBondContact O-NE1 2.94Å
440	L	93.9	Very high	92.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-18.8	177.4	-160.5	69.8	0	0	0	113.5	I413 L434 L435 C436 D437 W442 L443 V471 F479	I413-L440 HydrophobicContact CB-CD1 4.08Å; I413-L440 HydrophobicContact CG1-CD1 4.49Å; L434-L440 HydrophobicContact CB-CD2 4.08Å; L434-L440 HydrophobicContact CD1-CD2 4.16Å; L434-L440 HydrophobicContact CD2-CD1 4.33Å; L435-L440 WeakPolarHBondContact O-CD2 3.33Å; C436-L440 HydrophobicContact CB-CD2 4.41Å; D437-L440 PolarHBondContact O-N 2.63Å; D437-L440 VanDerWaalsContact O-N 3.13Å; D437-L440 PolarHBondContact OD1-N 2.97Å; D437-L440 VanDerWaalsContact OD1-N 3.13Å; L440-W442 PolarHBondContact O-N 3.26Å; L440-L443 HydrophobicContact CD1-CB 4.27Å; L440-L443 HydrophobicContact CD1-CD2 3.71Å; L440-L443 HydrophobicContact CG-CB 4.45Å; L440-L443 HydrophobicContact CG-CD2 4.42Å; L440-L443 WeakPolarHBondContact O-CB 3.11Å; L440-L443 PolarHBondContact O-N 3.11Å; L440-V471 HydrophobicContact CD2-CG1 4.06Å; L440-F479 HydrophobicContact CB-CD1 4.48Å; L440-F479 HydrophobicContact CB-CE1 4.41Å; L440-F479 HydrophobicContact CD2-CE1 4.36Å
441	K	94.4	Very high	92.4	Very high	79 Å²	79	48.3 Å²	48.3	34%	0.343	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.2	-35.9	-173	-175.8	167.3	174.1	152.7	0	116.4	D437 C438 Q476 F479	D437-K441 PolarHBondContact O-N 2.97Å; C438-K441 WeakPolarHBondContact O-CB 2.96Å; K441-Q476 WeakPolarHBondContact CE-O 3.14Å; K441-Q476 PolarHBondContact NZ-O 2.83Å; K441-Q476 PolarHBondContact O-NE2 2.58Å; K441-Q476 PolarHBondContact O-OE1 2.61Å; K441-F479 HydrophobicContact CB-CB 3.75Å; K441-F479 HydrophobicContact CB-CD2 4.46Å; K441-F479 HydrophobicContact CB-CG 4.07Å; K441-F479 HydrophobicContact CD-CB 4.11Å; K441-F479 HydrophobicContact CG-CB 3.97Å; K441-F479 HydrophobicContact CG-CD2 4.3Å; K441-F479 HydrophobicContact CG-CG 4.32Å
442	W	94.5	Very high	92.3	Very high	30 Å²	30	48.6 Å²	48.6	11%	0.114	25%	0.252	C	S	.	.	H	α-helix	trans	-72.8	-28.1	-180	69.2	-77.4	0	0	0	114	I413 Q414 A417 F418 Q439 L440 I445 W446	I413-W442 HydrophobicContact CG2-CZ2 3.93Å; Q414-W442 WeakPolarHBondContact O-CZ2 3.27Å; Q414-W442 PolarHBondContact O-NE1 3.18Å; A417-W442 HydrophobicContact CB-CZ2 4.32Å; F418-W442 HydrophobicContact CB-CH2 4.03Å; F418-W442 HydrophobicContact CB-CZ3 4.45Å; F418-W442 AromaticContact CD2-CH2 3.54Å; F418-W442 HydrophobicContact CD2-CH2 3.54Å; F418-W442 HydrophobicContact CD2-CZ2 4.44Å; F418-W442 HydrophobicContact CD2-CZ3 4.28Å; F418-W442 HydrophobicContact CE2-CH2 4.24Å; F418-W442 AromaticContact CG-CH2 3.95Å; F418-W442 HydrophobicContact CG-CH2 3.95Å; Q439-W442 PolarHBondContact O-NE1 2.94Å; L440-W442 PolarHBondContact O-N 3.26Å; W442-I445 PolarHBondContact O-N 3.35Å; W442-W446 HydrophobicContact CE3-CB 3.75Å; W442-W446 HydrophobicContact CE3-CD2 4.48Å; W442-W446 AromaticContact CE3-CG 3.95Å; W442-W446 HydrophobicContact CE3-CG 3.95Å; W442-W446 HydrophobicContact CZ3-CB 3.99Å; W442-W446 AromaticContact CZ3-CD2 3.81Å; W442-W446 HydrophobicContact CZ3-CD2 3.81Å; W442-W446 HydrophobicContact CZ3-CE3 4.16Å; W442-W446 AromaticContact CZ3-CG 3.73Å; W442-W446 HydrophobicContact CZ3-CG 3.73Å; W442-W446 WeakPolarHBondContact O-CB 3.26Å; W442-W446 PolarHBondContact O-N 3.05Å
443	L	94.5	Very high	91.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-44.2	-167.2	-178.7	67.7	0	0	0	113.1	I413 F418 L429 L440 I445 W446 V447	I413-L443 HydrophobicContact CD1-CD2 3.95Å; F418-L443 HydrophobicContact CD2-CD1 4.11Å; F418-L443 HydrophobicContact CE2-CD1 3.83Å; L429-L443 HydrophobicContact CD2-CD2 4.46Å; L440-L443 HydrophobicContact CD1-CB 4.27Å; L440-L443 HydrophobicContact CD1-CD2 3.71Å; L440-L443 HydrophobicContact CG-CB 4.45Å; L440-L443 HydrophobicContact CG-CD2 4.42Å; L440-L443 WeakPolarHBondContact O-CB 3.11Å; L440-L443 PolarHBondContact O-N 3.11Å; L443-I445 PolarHBondContact O-N 2.68Å; L443-W446 HydrophobicContact CD1-CE3 4.23Å; L443-W446 PolarHBondContact O-N 3.2Å; L443-V447 HydrophobicContact CD1-CG2 3.88Å; L443-V447 HydrophobicContact CG-CG2 4.24Å; L443-V447 WeakPolarHBondContact O-CB 3.26Å; L443-V447 WeakPolarHBondContact O-CG2 3.07Å; L443-V447 PolarHBondContact O-N 2.93Å
444	P	94.1	Very high	91.6	Very high	10 Å²	10	52.5 Å²	52.5	7%	0.065	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-48.2	176.6	-25.8	36	0	0	0	112.8	W446 V447 E448 V471 F472 F479	P444-W446 VanDerWaalsContact C-N 3.34Å; P444-W446 PolarHBondContact O-N 3.02Å; P444-V447 PolarHBondContact O-N 3.3Å; P444-E448 WeakPolarHBondContact O-CB 3.3Å; P444-E448 PolarHBondContact O-N 2.92Å; P444-V471 HydrophobicContact CG-CB 4.23Å; P444-V471 HydrophobicContact CG-CG2 4.27Å; P444-V471 WeakPolarHBondContact CG-O 3.49Å; P444-F472 HydrophobicContact CB-CD1 3.94Å; P444-F472 HydrophobicContact CB-CE1 4.39Å; P444-F479 HydrophobicContact CG-CE2 4.38Å; P444-F479 HydrophobicContact CG-CZ 3.97Å
445	I	92.9	Very high	91.3	Very high	89 Å²	89	54.9 Å²	54.9	46%	0.456	29%	0.286	S	S	.	.	H	α-helix	trans	-62.1	-42.2	179.9	-61.8	167.1	0	0	0	110.8	W442 L443 K449 Q476	W442-I445 PolarHBondContact O-N 3.35Å; L443-I445 PolarHBondContact O-N 2.68Å; I445-K449 VanDerWaalsContact O-CB 3.25Å; I445-K449 WeakPolarHBondContact O-CB 3.21Å; I445-K449 PolarHBondContact O-N 3.26Å; I445-Q476 HydrophobicContact CD1-CG 4.33Å
446	W	93.2	Very high	91.3	Very high	35 Å²	35	54.9 Å²	54.9	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-69.6	-43.7	-179.2	-180	92.5	0	0	0	112	F418 L424 L427 W442 L443 P444 K449 Q450 F452	F418-W446 HydrophobicContact CB-CH2 3.59Å; F418-W446 HydrophobicContact CB-CZ2 3.6Å; F418-W446 HydrophobicContact CB-CZ3 4.27Å; F418-W446 HydrophobicContact CD2-CE3 4.23Å; F418-W446 AromaticContact CD2-CH2 3.77Å; F418-W446 HydrophobicContact CD2-CH2 3.77Å; F418-W446 HydrophobicContact CD2-CZ2 4.5Å; F418-W446 AromaticContact CD2-CZ3 3.63Å; F418-W446 HydrophobicContact CD2-CZ3 3.63Å; F418-W446 HydrophobicContact CE2-CZ3 4.46Å; F418-W446 HydrophobicContact CG-CH2 4.04Å; F418-W446 HydrophobicContact CG-CZ3 4.36Å; L424-W446 HydrophobicContact CD2-CH2 3.97Å; L427-W446 HydrophobicContact CD2-CH2 4.23Å; L427-W446 HydrophobicContact CD2-CZ3 3.73Å; W442-W446 HydrophobicContact CE3-CB 3.75Å; W442-W446 HydrophobicContact CE3-CD2 4.48Å; W442-W446 AromaticContact CE3-CG 3.95Å; W442-W446 HydrophobicContact CE3-CG 3.95Å; W442-W446 HydrophobicContact CZ3-CB 3.99Å; W442-W446 AromaticContact CZ3-CD2 3.81Å; W442-W446 HydrophobicContact CZ3-CD2 3.81Å; W442-W446 HydrophobicContact CZ3-CE3 4.16Å; W442-W446 AromaticContact CZ3-CG 3.73Å; W442-W446 HydrophobicContact CZ3-CG 3.73Å; W442-W446 WeakPolarHBondContact O-CB 3.26Å; W442-W446 PolarHBondContact O-N 3.05Å; L443-W446 HydrophobicContact CD1-CE3 4.23Å; L443-W446 PolarHBondContact O-N 3.2Å; P444-W446 VanDerWaalsContact C-N 3.34Å; P444-W446 PolarHBondContact O-N 3.02Å; W446-K449 PolarHBondContact O-N 2.87Å; W446-Q450 HydrophobicContact CD2-CG 4.33Å; W446-Q450 HydrophobicContact CZ2-CG 4.39Å; W446-Q450 VanDerWaalsContact O-CG 3.31Å; W446-Q450 WeakPolarHBondContact O-CG 3.4Å; W446-Q450 PolarHBondContact O-N 3.05Å; W446-F452 HydrophobicContact CH2-CD2 4.14Å; W446-F452 AromaticContact CH2-CE2 3.72Å; W446-F452 HydrophobicContact CH2-CE2 3.72Å; W446-F452 HydrophobicContact CZ2-CE2 4.33Å; W446-F452 AromaticContact CZ3-CD2 3.96Å; W446-F452 HydrophobicContact CZ3-CD2 3.96Å; W446-F452 HydrophobicContact CZ3-CE2 4.02Å
447	V	92.9	Very high	91.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-43.1	176.4	165.1	0	0	0	0	111.7	L443 P444 Q450 S451 F452 L453 V456 F472	L443-V447 HydrophobicContact CD1-CG2 3.88Å; L443-V447 HydrophobicContact CG-CG2 4.24Å; L443-V447 WeakPolarHBondContact O-CB 3.26Å; L443-V447 WeakPolarHBondContact O-CG2 3.07Å; L443-V447 PolarHBondContact O-N 2.93Å; P444-V447 PolarHBondContact O-N 3.3Å; V447-Q450 PolarHBondContact O-N 2.9Å; V447-S451 PolarHBondContact O-N 2.68Å; V447-S451 VanDerWaalsContact O-N 3.14Å; V447-F452 HydrophobicContact CG1-CB 4.16Å; V447-F452 PolarHBondContact O-N 3.11Å; V447-L453 HydrophobicContact CG1-CD2 3.93Å; V447-L453 HydrophobicContact CG1-CG 4.27Å; V447-V456 HydrophobicContact CG1-CB 4.2Å; V447-V456 HydrophobicContact CG1-CG2 4.17Å; V447-V456 HydrophobicContact CG2-CG2 4.32Å; V447-F472 HydrophobicContact CB-CE1 3.83Å; V447-F472 HydrophobicContact CB-CZ 4.31Å; V447-F472 HydrophobicContact CG1-CE1 3.6Å; V447-F472 HydrophobicContact CG1-CZ 3.75Å; V447-F472 HydrophobicContact CG2-CE1 4.37Å
448	E	90.9	Very high	91.5	Very high	129 Å²	129	57.9 Å²	57.9	60%	0.603	30%	0.303	S	S	*	.	H	α-helix	trans	-63.6	-48	176.3	-178.7	173.6	-142.2	0	0	111.1	P444 Q450 S451 L453	P444-E448 WeakPolarHBondContact O-CB 3.3Å; P444-E448 PolarHBondContact O-N 2.92Å; E448-Q450 VanDerWaalsContact C-N 3.26Å; E448-Q450 PolarHBondContact O-N 3.1Å; E448-S451 PolarHBondContact O-N 3.09Å; E448-L453 HydrophobicContact CB-CD1 4.49Å; E448-L453 HydrophobicContact CG-CD1 4.35Å
449	K	90.9	Very high	91.7	Very high	169 Å²	169	56.5 Å²	56.5	74%	0.735	29%	0.293	S	S	*	.	H	α-helix	trans	-59	-34.8	178	-177.5	176.2	177.5	-178.8	0	113.2	I445 W446 S451	I445-K449 VanDerWaalsContact O-CB 3.25Å; I445-K449 WeakPolarHBondContact O-CB 3.21Å; I445-K449 PolarHBondContact O-N 3.26Å; W446-K449 PolarHBondContact O-N 2.87Å; K449-S451 VanDerWaalsContact C-N 3.35Å
450	Q	87.9	Confident	91.9	Very high	85 Å²	85	52.7 Å²	52.7	40%	0.397	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	4	176.7	-55.7	-64.7	20.6	0	0	113.7	W446 V447 E448 F452	W446-Q450 HydrophobicContact CD2-CG 4.33Å; W446-Q450 HydrophobicContact CZ2-CG 4.39Å; W446-Q450 VanDerWaalsContact O-CG 3.31Å; W446-Q450 WeakPolarHBondContact O-CG 3.4Å; W446-Q450 PolarHBondContact O-N 3.05Å; V447-Q450 PolarHBondContact O-N 2.9Å; E448-Q450 VanDerWaalsContact C-N 3.26Å; E448-Q450 PolarHBondContact O-N 3.1Å; Q450-F452 HydrophobicContact CB-CD1 4.15Å; Q450-F452 HydrophobicContact CB-CD2 3.67Å; Q450-F452 HydrophobicContact CB-CE1 3.94Å; Q450-F452 HydrophobicContact CB-CE2 3.45Å; Q450-F452 VanDerWaalsContact CB-CE2 3.45Å; Q450-F452 HydrophobicContact CB-CG 4.02Å; Q450-F452 HydrophobicContact CB-CZ 3.6Å; Q450-F452 HydrophobicContact CG-CD2 4.45Å; Q450-F452 HydrophobicContact CG-CE2 3.94Å; Q450-F452 HydrophobicContact CG-CZ 4.26Å; Q450-F452 VanDerWaalsContact O-CD1 3.25Å; Q450-F452 WeakPolarHBondContact O-CD1 3.25Å; Q450-F452 WeakPolarHBondContact O-CE1 3.36Å; Q450-F452 PolarHBondContact O-N 3.45Å
451	S	88.3	Confident	91.8	Very high	94 Å²	94	53.7 Å²	53.7	66%	0.657	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	19.4	-178.5	-54.4	0	0	0	0	115.8	V447 E448 K449 L453 P454	V447-S451 PolarHBondContact O-N 2.68Å; V447-S451 VanDerWaalsContact O-N 3.14Å; E448-S451 PolarHBondContact O-N 3.09Å; K449-S451 VanDerWaalsContact C-N 3.35Å; S451-L453 PolarHBondContact O-N 3.02Å; S451-P454 WeakPolarHBondContact O-CD 3.39Å
452	F	90.3	Very high	91.7	Very high	14 Å²	14	51.6 Å²	51.6	6%	0.061	28%	0.275	C	S	.	.			trans	-78	3.2	-177.3	-57.2	-30	0	0	0	114.5	L424 Q425 L427 W446 V447 Q450 P454 C455 V456	L424-F452 HydrophobicContact CB-CZ 4.39Å; L424-F452 HydrophobicContact CD2-CE2 3.97Å; L424-F452 HydrophobicContact CD2-CZ 4.28Å; L424-F452 HydrophobicContact CG-CE2 4.44Å; L424-F452 HydrophobicContact CG-CZ 4.26Å; L424-F452 WeakPolarHBondContact O-CZ 3.48Å; Q425-F452 VanDerWaalsContact O-CE1 3.28Å; Q425-F452 WeakPolarHBondContact O-CE1 3.46Å; L427-F452 HydrophobicContact CB-CD2 3.81Å; L427-F452 HydrophobicContact CB-CE2 4.2Å; L427-F452 HydrophobicContact CB-CG 4.32Å; W446-F452 HydrophobicContact CH2-CD2 4.14Å; W446-F452 AromaticContact CH2-CE2 3.72Å; W446-F452 HydrophobicContact CH2-CE2 3.72Å; W446-F452 HydrophobicContact CZ2-CE2 4.33Å; W446-F452 AromaticContact CZ3-CD2 3.96Å; W446-F452 HydrophobicContact CZ3-CD2 3.96Å; W446-F452 HydrophobicContact CZ3-CE2 4.02Å; V447-F452 HydrophobicContact CG1-CB 4.16Å; V447-F452 PolarHBondContact O-N 3.11Å; Q450-F452 HydrophobicContact CB-CD1 4.15Å; Q450-F452 HydrophobicContact CB-CD2 3.67Å; Q450-F452 HydrophobicContact CB-CE1 3.94Å; Q450-F452 HydrophobicContact CB-CE2 3.45Å; Q450-F452 VanDerWaalsContact CB-CE2 3.45Å; Q450-F452 HydrophobicContact CB-CG 4.02Å; Q450-F452 HydrophobicContact CB-CZ 3.6Å; Q450-F452 HydrophobicContact CG-CD2 4.45Å; Q450-F452 HydrophobicContact CG-CE2 3.94Å; Q450-F452 HydrophobicContact CG-CZ 4.26Å; Q450-F452 VanDerWaalsContact O-CD1 3.25Å; Q450-F452 WeakPolarHBondContact O-CD1 3.25Å; Q450-F452 WeakPolarHBondContact O-CE1 3.36Å; Q450-F452 PolarHBondContact O-N 3.45Å; F452-P454 VanDerWaalsContact C-N 3.32Å; F452-P454 VanDerWaalsContact O-N 3.13Å; F452-C455 PolarHBondContact O-N 3.02Å; F452-V456 HydrophobicContact CB-CG2 4.27Å; F452-V456 PolarHBondContact O-N 3.34Å
453	L	84.3	Confident	91.5	Very high	77 Å²	77	52 Å²	52	40%	0.403	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-47.7	-38.2	-178.1	-69.3	168.5	0	0	0	115.3	V447 E448 S451 C455 F472	V447-L453 HydrophobicContact CG1-CD2 3.93Å; V447-L453 HydrophobicContact CG1-CG 4.27Å; E448-L453 HydrophobicContact CB-CD1 4.49Å; E448-L453 HydrophobicContact CG-CD1 4.35Å; S451-L453 PolarHBondContact O-N 3.02Å; L453-C455 PolarHBondContact O-N 2.75Å; L453-F472 HydrophobicContact CD2-CD1 3.76Å; L453-F472 HydrophobicContact CD2-CD2 4.28Å; L453-F472 HydrophobicContact CD2-CE1 3.86Å; L453-F472 HydrophobicContact CD2-CE2 4.35Å; L453-F472 HydrophobicContact CD2-CG 4Å; L453-F472 HydrophobicContact CD2-CZ 4.16Å
454	P	86.9	Confident	91.2	Very high	120 Å²	120	58 Å²	58	78%	0.779	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-66.6	-18.8	177.7	-21.9	34.8	0	0	0	114.9	S451 F452	S451-P454 WeakPolarHBondContact O-CD 3.39Å; F452-P454 VanDerWaalsContact C-N 3.32Å; F452-P454 VanDerWaalsContact O-N 3.13Å
455	C	88.6	Confident	91	Very high	49 Å²	49	65.9 Å²	65.9	33%	0.331	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-109.4	-7.4	-173.4	-63	0	0	0	0	113.6	L427 R428 L429 F452 L453	L427-C455 WeakPolarHBondContact O-CB 3.3Å; R428-C455 WeakPolarHBondContact CA-O 3.48Å; R428-C455 HydrophobicContact CG-CB 4.14Å; L429-C455 PolarHBondContact N-O 2.75Å; F452-C455 PolarHBondContact O-N 3.02Å; L453-C455 PolarHBondContact O-N 2.75Å
456	V	92.6	Very high	91.1	Very high	8 Å²	8	62 Å²	62	5%	0.048	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.6	-178.3	-177.6	0	0	0	0	110.8	L427 L429 V447 F452 A458 F472	L427-V456 HydrophobicContact CD2-CG2 4.31Å; L427-V456 HydrophobicContact CG-CG2 4.31Å; L429-V456 HydrophobicContact CB-CG1 4.11Å; L429-V456 HydrophobicContact CB-CG2 4.37Å; L429-V456 HydrophobicContact CD2-CG1 4.18Å; L429-V456 HydrophobicContact CG-CG1 4.37Å; L429-V456 CarbonylContact O-C 3.3Å; L429-V456 WeakPolarHBondContact O-CA 3.19Å; V447-V456 HydrophobicContact CG1-CB 4.2Å; V447-V456 HydrophobicContact CG1-CG2 4.17Å; V447-V456 HydrophobicContact CG2-CG2 4.32Å; F452-V456 HydrophobicContact CB-CG2 4.27Å; F452-V456 PolarHBondContact O-N 3.34Å; V456-A458 HydrophobicContact CG1-CB 4.1Å; V456-F472 HydrophobicContact CB-CZ 4.13Å; V456-F472 HydrophobicContact CG1-CE2 4.21Å; V456-F472 HydrophobicContact CG1-CZ 3.69Å; V456-F472 WeakPolarHBondContact O-CE2 3.1Å
457	N	93.4	Very high	91.1	Very high	98 Å²	98	66.5 Å²	66.5	52%	0.524	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	101	170.4	-179.7	41	0	0	0	109.3	L429 N430 T431	L429-N457 PolarHBondContact O-N 3.43Å; N430-N457 WeakPolarHBondContact CA-O 3.43Å; N430-N457 PolarHBondContact OD1-ND2 3.13Å; T431-N457 PolarHBondContact N-O 2.65Å
458	A	94.7	Very high	91.2	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.7	-173	0	0	0	0	0	110.7	T431 L434 V456 S470 V471	T431-A458 WeakPolarHBondContact O-CA 3.5Å; L434-A458 HydrophobicContact CD1-CB 3.78Å; V456-A458 HydrophobicContact CG1-CB 4.1Å; A458-S470 WeakPolarHBondContact O-CA 3.46Å; A458-V471 HydrophobicContact CB-CG1 4.08Å; A458-V471 HydrophobicContact CB-CG2 3.63Å; A458-V471 PolarHBondContact O-N 3.4Å
459	S	95.3	Very high	91.4	Very high	18 Å²	18	67.4 Å²	67.4	13%	0.126	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	151	174.2	61.5	0	0	0	0	113.2	T431 S432 L434 R469	T431-S459 PolarHBondContact O-N 2.85Å; S432-S459 CarbonylContact C-O 3.14Å; S432-S459 WeakPolarHBondContact CA-OG 3.48Å; S432-S459 VanDerWaalsContact CB-OG 3.3Å; S432-S459 WeakPolarHBondContact CB-OG 3.49Å; L434-S459 PolarHBondContact N-O 3.06Å; S459-R469 VanDerWaalsContact CA-O 3.26Å; S459-R469 WeakPolarHBondContact CA-O 3.33Å; S459-R469 VanDerWaalsContact CB-O 3.27Å; S459-R469 WeakPolarHBondContact CB-O 3.42Å
460	C	95.2	Very high	91.6	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.007	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.9	-177.6	-52.1	0	0	0	0	111.2	L434 C436 L466 K467 G468 R469	L434-C460 WeakPolarHBondContact O-CA 3.2Å; C436-C460 HydrophobicContact CB-CB 3.81Å; C436-C460 WeakPolarHBondContact CB-SG 3.17Å; C436-C460 VanDerWaalsContact SG-CA 3.51Å; C436-C460 WeakPolarHBondContact SG-CB 3.31Å; C436-C460 CovalentContact SG-SG 2.02Å; C436-C460 PolarHBondContact SG-SG 3.22Å; C460-L466 HydrophobicContact CB-CB 3.93Å; C460-L466 WeakPolarHBondContact CB-O 3.46Å; C460-K467 CarbonylContact O-C 3.56Å; C460-K467 WeakPolarHBondContact O-CA 3.37Å; C460-G468 PolarHBondContact O-N 3.22Å; C460-R469 PolarHBondContact N-O 2.71Å
461	A	92.7	Very high	92	Very high	22 Å²	22	56.9 Å²	56.9	18%	0.182	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-28.6	161.5	0	0	0	0	0	112.1	L434 K467	L434-A461 PolarHBondContact O-N 3.38Å; A461-K467 WeakPolarHBondContact O-CD 3.4Å; A461-K467 WeakPolarHBondContact O-CG 3.43Å
462	H	90.7	Very high	92.2	Very high	35 Å²	35	55.1 Å²	55.1	16%	0.162	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.4	-175.9	-164.6	77.5	0	0	0	110.4	L434 L435 C436 D483 F580	L434-H462 PolarHBondContact O-N 2.85Å; L435-H462 HydrophobicContact CD2-CB 3.75Å; C436-H462 PolarHBondContact N-O 2.78Å; H462-D483 IonicContact CD2-OD2 3.66Å; H462-D483 IonicContact CE1-OD2 3.54Å; H462-D483 IonicContact NE2-OD2 3.46Å; H462-D483 PolarHBondContact NE2-OD2 3.01Å; H462-F580 HydrophobicContact CB-CD1 4.48Å; H462-F580 HydrophobicContact CB-CE1 3.95Å; H462-F580 AromaticContact CG-CE1 3.9Å; H462-F580 AromaticContact ND1-CE1 3.9Å
463	P	90.6	Very high	92.4	Very high	39 Å²	39	60.2 Å²	60.2	25%	0.253	33%	0.33	S	S	.	.	S	Bend	cis	-54.8	153.2	-10.2	22.9	-34.2	0	0	0	112.9	M465 L466 K467	P463-M465 PolarHBondContact O-N 2.87Å; P463-L466 HydrophobicContact CG-CB 4.49Å; P463-L466 HydrophobicContact CG-CD1 3.94Å; P463-L466 HydrophobicContact CG-CG 4.04Å; P463-L466 PolarHBondContact O-N 3.09Å; P463-K467 PolarHBondContact O-N 2.89Å
464	Q	88.1	Confident	92.9	Very high	127 Å²	127	57.1 Å²	57.1	59%	0.593	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-53.8	-27.6	-176.2	176.7	67.7	17.9	0	0	113	L466 K467	Q464-L466 VanDerWaalsContact C-N 3.3Å; Q464-L466 PolarHBondContact O-N 3.05Å; Q464-K467 WeakPolarHBondContact O-CB 3.23Å; Q464-K467 PolarHBondContact O-N 3.06Å; Q464-K467 VanDerWaalsContact OE1-NZ 3.12Å
465	M	90.9	Very high	93.3	Very high	175 Å²	175	59.1 Å²	59.1	86%	0.862	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-68.4	-21.1	174.8	-60.7	-61.1	-70.2	0	0	114.6	P463	P463-M465 PolarHBondContact O-N 2.87Å
466	L	93.8	Very high	93.5	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.042	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-103.2	-1.9	177.6	-60.6	-176.4	0	0	0	113	C436 C460 P463 Q464 G468 R469 V474 E478	C436-L466 HydrophobicContact CB-CD1 3.85Å; C460-L466 HydrophobicContact CB-CB 3.93Å; C460-L466 WeakPolarHBondContact CB-O 3.46Å; P463-L466 HydrophobicContact CG-CB 4.49Å; P463-L466 HydrophobicContact CG-CD1 3.94Å; P463-L466 HydrophobicContact CG-CG 4.04Å; P463-L466 PolarHBondContact O-N 3.09Å; Q464-L466 VanDerWaalsContact C-N 3.3Å; Q464-L466 PolarHBondContact O-N 3.05Å; L466-G468 PolarHBondContact O-N 3.1Å; L466-R469 WeakPolarHBondContact O-CB 3.41Å; L466-R469 PolarHBondContact O-N 2.95Å; L466-V474 HydrophobicContact CD1-CG1 3.79Å; L466-V474 HydrophobicContact CD1-CG2 4.32Å; L466-V474 HydrophobicContact CD2-CG1 4.22Å; L466-V474 HydrophobicContact CD2-CG2 4.33Å; L466-E478 HydrophobicContact CD2-CB 4.48Å; L466-E478 WeakPolarHBondContact CD2-OE2 3.33Å
467	K	94	Very high	93.6	Very high	128 Å²	128	65.3 Å²	65.3	56%	0.557	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	128	-169	-170.8	163.8	-174	158.2	0	113.3	C460 A461 P463 Q464 R469	C460-K467 CarbonylContact O-C 3.56Å; C460-K467 WeakPolarHBondContact O-CA 3.37Å; A461-K467 WeakPolarHBondContact O-CD 3.4Å; A461-K467 WeakPolarHBondContact O-CG 3.43Å; P463-K467 PolarHBondContact O-N 2.89Å; Q464-K467 WeakPolarHBondContact O-CB 3.23Å; Q464-K467 PolarHBondContact O-N 3.06Å; Q464-K467 VanDerWaalsContact OE1-NZ 3.12Å; K467-R469 PolarHBondContact O-N 3.4Å
468	G	94.1	Very high	93.6	Very high	60 Å²	60	62.5 Å²	62.5	62%	0.619	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-9.2	-175.9	0	0	0	0	0	114.9	C460 L466	C460-G468 PolarHBondContact O-N 3.22Å; L466-G468 PolarHBondContact O-N 3.1Å
469	R	95.6	Very high	93.5	Very high	88 Å²	88	62.8 Å²	62.8	33%	0.332	32%	0.315	S	S	.	.			trans	-76.4	137.5	178.3	-162.6	168.8	170.6	-163.6	-8.2	110.1	S459 C460 L466 K467 L473 V474 E478	S459-R469 VanDerWaalsContact CA-O 3.26Å; S459-R469 WeakPolarHBondContact CA-O 3.33Å; S459-R469 VanDerWaalsContact CB-O 3.27Å; S459-R469 WeakPolarHBondContact CB-O 3.42Å; C460-R469 PolarHBondContact N-O 2.71Å; L466-R469 WeakPolarHBondContact O-CB 3.41Å; L466-R469 PolarHBondContact O-N 2.95Å; K467-R469 PolarHBondContact O-N 3.4Å; R469-L473 HydrophobicContact CG-CB 4.47Å; R469-L473 VanDerWaalsContact CZ-O 3.27Å; R469-L473 PolarHBondContact NE-O 2.83Å; R469-L473 PolarHBondContact NH2-O 2.89Å; R469-V474 HydrophobicContact CG-CG2 4.26Å; R469-E478 IonicContact CZ-OE2 2.67Å; R469-E478 IonicContact NH1-OE1 3.84Å; R469-E478 IonicContact NH1-OE2 2.7Å; R469-E478 PolarHBondContact NH1-OE2 3.32Å; R469-E478 IonicContact NH2-OE1 2.66Å; R469-E478 IonicContact NH2-OE2 3.98Å
470	S	95.4	Very high	93.3	Very high	33 Å²	33	65 Å²	65	23%	0.231	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-64.3	137	173.7	172.7	0	0	0	0	110.5	A458 F472 L473	A458-S470 WeakPolarHBondContact O-CA 3.46Å; S470-F472 PolarHBondContact O-N 2.64Å; S470-F472 VanDerWaalsContact O-N 3.15Å; S470-F472 WeakPolarHBondContact OG-CD2 3.3Å; S470-L473 PolarHBondContact O-N 3.48Å
471	V	95.6	Very high	92.9	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-60.5	-26.2	-178.5	-57.2	0	0	0	0	112.6	L434 L440 P444 A458 L473	L434-V471 HydrophobicContact CD1-CG1 4.03Å; L440-V471 HydrophobicContact CD2-CG1 4.06Å; P444-V471 HydrophobicContact CG-CB 4.23Å; P444-V471 HydrophobicContact CG-CG2 4.27Å; P444-V471 WeakPolarHBondContact CG-O 3.49Å; A458-V471 HydrophobicContact CB-CG1 4.08Å; A458-V471 HydrophobicContact CB-CG2 3.63Å; A458-V471 PolarHBondContact O-N 3.4Å; V471-L473 PolarHBondContact O-N 2.84Å
472	F	94.4	Very high	92.3	Very high	58 Å²	58	73.3 Å²	73.3	25%	0.254	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-76.6	-8.4	176.9	-49.3	-65.9	0	0	0	113.5	P444 V447 L453 V456 S470	P444-F472 HydrophobicContact CB-CD1 3.94Å; P444-F472 HydrophobicContact CB-CE1 4.39Å; V447-F472 HydrophobicContact CB-CE1 3.83Å; V447-F472 HydrophobicContact CB-CZ 4.31Å; V447-F472 HydrophobicContact CG1-CE1 3.6Å; V447-F472 HydrophobicContact CG1-CZ 3.75Å; V447-F472 HydrophobicContact CG2-CE1 4.37Å; L453-F472 HydrophobicContact CD2-CD1 3.76Å; L453-F472 HydrophobicContact CD2-CD2 4.28Å; L453-F472 HydrophobicContact CD2-CE1 3.86Å; L453-F472 HydrophobicContact CD2-CE2 4.35Å; L453-F472 HydrophobicContact CD2-CG 4Å; L453-F472 HydrophobicContact CD2-CZ 4.16Å; V456-F472 HydrophobicContact CB-CZ 4.13Å; V456-F472 HydrophobicContact CG1-CE2 4.21Å; V456-F472 HydrophobicContact CG1-CZ 3.69Å; V456-F472 WeakPolarHBondContact O-CE2 3.1Å; S470-F472 PolarHBondContact O-N 2.64Å; S470-F472 VanDerWaalsContact O-N 3.15Å; S470-F472 WeakPolarHBondContact OG-CD2 3.3Å
473	L	94	Very high	91.9	Very high	121 Å²	121	74.6 Å²	74.6	63%	0.634	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-112	7.5	179.2	-56.9	179.4	0	0	0	112.7	R469 S470 V471	R469-L473 HydrophobicContact CG-CB 4.47Å; R469-L473 VanDerWaalsContact CZ-O 3.27Å; R469-L473 PolarHBondContact NE-O 2.83Å; R469-L473 PolarHBondContact NH2-O 2.89Å; S470-L473 PolarHBondContact O-N 3.48Å; V471-L473 PolarHBondContact O-N 2.84Å
474	V	95.1	Very high	91.6	Very high	12 Å²	12	75.9 Å²	75.9	7%	0.073	38%	0.382	C	S	.	.	S	Bend	trans	-93.7	132.4	175	179.2	0	0	0	0	108.6	L466 R469 E478 F479	L466-V474 HydrophobicContact CD1-CG1 3.79Å; L466-V474 HydrophobicContact CD1-CG2 4.32Å; L466-V474 HydrophobicContact CD2-CG1 4.22Å; L466-V474 HydrophobicContact CD2-CG2 4.33Å; R469-V474 HydrophobicContact CG-CG2 4.26Å; V474-E478 HydrophobicContact CG1-CB 3.72Å; V474-F479 HydrophobicContact CB-CE2 3.73Å; V474-F479 HydrophobicContact CB-CZ 3.68Å; V474-F479 HydrophobicContact CG1-CD2 3.9Å; V474-F479 HydrophobicContact CG1-CE1 4.19Å; V474-F479 HydrophobicContact CG1-CE2 3.49Å; V474-F479 VanDerWaalsContact CG1-CE2 3.49Å; V474-F479 HydrophobicContact CG1-CG 4.41Å; V474-F479 HydrophobicContact CG1-CZ 3.66Å; V474-F479 HydrophobicContact CG2-CZ 4.46Å
475	R	94.6	Very high	91.6	Very high	162 Å²	162	70.1 Å²	70.1	61%	0.611	36%	0.356	S	S	*	.			trans	-72.1	151.8	178.3	-72.4	179.6	-66.9	166.1	6.2	110.8	E477 E478 F479	R475-E477 WeakPolarHBondContact CB-OE2 3.17Å; R475-E477 PolarHBondContact O-N 2.84Å; R475-E477 VanDerWaalsContact O-N 3.1Å; R475-E478 HydrophobicContact CB-CG 4.26Å; R475-E478 IonicContact CZ-OE1 3.25Å; R475-E478 IonicContact NE-OE1 3.66Å; R475-E478 PolarHBondContact NE-OE1 3.14Å; R475-E478 IonicContact NH2-OE1 2.76Å; R475-E478 PolarHBondContact NH2-OE1 2.83Å; R475-E478 WeakPolarHBondContact O-CB 3.03Å; R475-E478 PolarHBondContact O-N 2.9Å; R475-F479 WeakPolarHBondContact O-CD2 3.45Å
476	Q	93.6	Very high	91.5	Very high	48 Å²	48	63.7 Å²	63.7	22%	0.224	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.8	-174.6	-76.5	-68.3	-49.1	0	0	113.4	K441 I445	K441-Q476 WeakPolarHBondContact CE-O 3.14Å; K441-Q476 PolarHBondContact NZ-O 2.83Å; K441-Q476 PolarHBondContact O-NE2 2.58Å; K441-Q476 PolarHBondContact O-OE1 2.61Å; I445-Q476 HydrophobicContact CD1-CG 4.33Å
477	E	93.1	Very high	91.4	Very high	138 Å²	138	63.3 Å²	63.3	65%	0.645	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-16.5	177.6	-54.1	66.8	-137.5	0	0	112.6	R475	R475-E477 WeakPolarHBondContact CB-OE2 3.17Å; R475-E477 PolarHBondContact O-N 2.84Å; R475-E477 VanDerWaalsContact O-N 3.1Å
478	E	93.8	Very high	91.2	Very high	40 Å²	40	63.7 Å²	63.7	19%	0.187	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-12.4	178.8	-67.6	172.3	-142	0	0	112.6	L466 R469 V474 R475 V480	L466-E478 HydrophobicContact CD2-CB 4.48Å; L466-E478 WeakPolarHBondContact CD2-OE2 3.33Å; R469-E478 IonicContact CZ-OE2 2.67Å; R469-E478 IonicContact NH1-OE1 3.84Å; R469-E478 IonicContact NH1-OE2 2.7Å; R469-E478 PolarHBondContact NH1-OE2 3.32Å; R469-E478 IonicContact NH2-OE1 2.66Å; R469-E478 IonicContact NH2-OE2 3.98Å; V474-E478 HydrophobicContact CG1-CB 3.72Å; R475-E478 HydrophobicContact CB-CG 4.26Å; R475-E478 IonicContact CZ-OE1 3.25Å; R475-E478 IonicContact NE-OE1 3.66Å; R475-E478 PolarHBondContact NE-OE1 3.14Å; R475-E478 IonicContact NH2-OE1 2.76Å; R475-E478 PolarHBondContact NH2-OE1 2.83Å; R475-E478 WeakPolarHBondContact O-CB 3.03Å; R475-E478 PolarHBondContact O-N 2.9Å; E478-V480 PolarHBondContact O-N 3.01Å
479	F	93.2	Very high	91.2	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.026	30%	0.3	C	S	.	.			trans	-86.1	83	174.8	-67.9	-80.8	0	0	0	111.5	C436 D437 C438 L440 K441 P444 V474 R475	C436-F479 HydrophobicContact CB-CD1 4.15Å; C436-F479 HydrophobicContact CB-CE1 3.87Å; D437-F479 WeakPolarHBondContact O-CD1 3.11Å; C438-F479 WeakPolarHBondContact CA-O 3.39Å; C438-F479 WeakPolarHBondContact CB-O 3.48Å; L440-F479 HydrophobicContact CB-CD1 4.48Å; L440-F479 HydrophobicContact CB-CE1 4.41Å; L440-F479 HydrophobicContact CD2-CE1 4.36Å; K441-F479 HydrophobicContact CB-CB 3.75Å; K441-F479 HydrophobicContact CB-CD2 4.46Å; K441-F479 HydrophobicContact CB-CG 4.07Å; K441-F479 HydrophobicContact CD-CB 4.11Å; K441-F479 HydrophobicContact CG-CB 3.97Å; K441-F479 HydrophobicContact CG-CD2 4.3Å; K441-F479 HydrophobicContact CG-CG 4.32Å; P444-F479 HydrophobicContact CG-CE2 4.38Å; P444-F479 HydrophobicContact CG-CZ 3.97Å; V474-F479 HydrophobicContact CB-CE2 3.73Å; V474-F479 HydrophobicContact CB-CZ 3.68Å; V474-F479 HydrophobicContact CG1-CD2 3.9Å; V474-F479 HydrophobicContact CG1-CE1 4.19Å; V474-F479 HydrophobicContact CG1-CE2 3.49Å; V474-F479 VanDerWaalsContact CG1-CE2 3.49Å; V474-F479 HydrophobicContact CG1-CG 4.41Å; V474-F479 HydrophobicContact CG1-CZ 3.66Å; V474-F479 HydrophobicContact CG2-CZ 4.46Å; R475-F479 WeakPolarHBondContact O-CD2 3.45Å
480	V	90.7	Very high	91	Very high	65 Å²	65	61 Å²	61	39%	0.394	30%	0.303	S	S	.	.			trans	-104.2	166.9	179.8	-64.3	0	0	0	0	112.6	D437 C438 E478 D482	D437-V480 CarbonylContact C-O 3.55Å; D437-V480 WeakPolarHBondContact CA-O 3.19Å; D437-V480 WeakPolarHBondContact CB-O 3.41Å; C438-V480 PolarHBondContact N-O 2.65Å; E478-V480 PolarHBondContact O-N 3.01Å; V480-D482 WeakPolarHBondContact CB-OD2 3.25Å; V480-D482 WeakPolarHBondContact CG2-OD2 3.07Å
481	C	86.1	Confident	91	Very high	54 Å²	54	62.2 Å²	62.2	37%	0.365	31%	0.309	S	S	.	.			trans	-125	27.1	177.2	-82.9	0	0	0	0	112.2	C438 D483	C438-C481 VanDerWaalsContact CA-SG 3.55Å; C438-C481 HydrophobicContact CB-CB 3.87Å; C438-C481 WeakPolarHBondContact CB-SG 3.46Å; C438-C481 PolarHBondContact N-SG 2.97Å; C438-C481 WeakPolarHBondContact SG-CB 3.45Å; C438-C481 CovalentContact SG-SG 2.03Å; C438-C481 PolarHBondContact SG-SG 2.88Å; C481-D483 PolarHBondContact O-N 2.78Å
482	D	81.5	Confident	91	Very high	142 Å²	142	66.3 Å²	66.3	76%	0.759	33%	0.328	S	S	*	.	S	Bend	trans	-72	-15.3	-178.3	-43.8	-30.9	0	0	0	111.8	V480	V480-D482 WeakPolarHBondContact CB-OD2 3.25Å; V480-D482 WeakPolarHBondContact CG2-OD2 3.07Å
483	D	80.7	Confident	91.1	Very high	63 Å²	63	63.8 Å²	63.8	34%	0.337	32%	0.318	S	S	.	.			trans	-126	134.6	179.7	177.7	34.3	0	0	0	109.5	H462 C481 P485 S513	H462-D483 IonicContact CD2-OD2 3.66Å; H462-D483 IonicContact CE1-OD2 3.54Å; H462-D483 IonicContact NE2-OD2 3.46Å; H462-D483 PolarHBondContact NE2-OD2 3.01Å; C481-D483 PolarHBondContact O-N 2.78Å; D483-P485 WeakPolarHBondContact O-CD 3.24Å; D483-S513 VanDerWaalsContact OD1-CB 3.29Å; D483-S513 WeakPolarHBondContact OD1-CB 3.24Å; D483-S513 PolarHBondContact OD1-OG 2.99Å
484	F	85.8	Confident	91.2	Very high	65 Å²	65	65.3 Å²	65.3	29%	0.285	32%	0.321	S	S	.	.			trans	-125	70	-179.5	61.7	-79.2	0	0	0	111.2	K486 K488 A511 S513 V552	F484-K486 PolarHBondContact O-N 3.27Å; F484-K488 HydrophobicContact CD2-CB 4.15Å; F484-A511 HydrophobicContact CE2-CB 4.11Å; F484-S513 WeakPolarHBondContact CA-OG 3.38Å; F484-S513 PolarHBondContact N-OG 2.76Å; F484-S513 PolarHBondContact O-N 2.99Å; F484-S513 PolarHBondContact O-OG 2.81Å; F484-V552 HydrophobicContact CE2-CG1 4.42Å; F484-V552 HydrophobicContact CZ-CG1 3.92Å; F484-V552 HydrophobicContact CZ-CG2 4.21Å
485	P	87.8	Confident	91.3	Very high	6 Å²	6	68.8 Å²	68.8	4%	0.039	34%	0.343	C	S	.	.			trans	-73	-14.9	-172.3	33.7	-41.1	0	0	0	113.5	L435 D483 N578 F580	L435-P485 HydrophobicContact CD1-CG 4.5Å; L435-P485 HydrophobicContact CD2-CG 3.92Å; D483-P485 WeakPolarHBondContact O-CD 3.24Å; P485-N578 PolarHBondContact O-ND2 2.63Å; P485-N578 PolarHBondContact O-OD1 2.96Å; P485-F580 HydrophobicContact CB-CB 4.48Å; P485-F580 HydrophobicContact CB-CD1 4.4Å; P485-F580 HydrophobicContact CB-CD2 3.69Å; P485-F580 HydrophobicContact CB-CE2 3.9Å; P485-F580 HydrophobicContact CB-CG 3.94Å; P485-F580 HydrophobicContact CB-CZ 4.33Å; P485-F580 HydrophobicContact CG-CG 4.33Å; P485-F580 WeakPolarHBondContact O-CD2 3.3Å
486	K	88.4	Confident	91.3	Very high	40 Å²	40	64 Å²	64	17%	0.174	33%	0.328	C	S	.	.	S	Bend	trans	-83.8	134.9	169.8	-178.4	-178.7	179.5	-178.9	0	109	S388 S412 L435 F484 K488 F580 S582	S388-K486 PolarHBondContact OG-NZ 3.41Å; S412-K486 PolarHBondContact OG-NZ 2.76Å; S412-K486 VanDerWaalsContact OG-NZ 3.07Å; L435-K486 HydrophobicContact CD1-CB 4Å; F484-K486 PolarHBondContact O-N 3.27Å; K486-K488 PolarHBondContact O-N 3.47Å; K486-F580 HydrophobicContact CB-CB 4.41Å; K486-S582 WeakPolarHBondContact CE-O 3.16Å; K486-S582 PolarHBondContact NZ-O 3.49Å
487	P	91.2	Very high	91.3	Very high	1 Å²	1	66 Å²	66	1%	0.006	35%	0.347	C	S	.	.			trans	-58.2	130.9	-175.1	-23.5	34.3	0	0	0	112.1	A510 A511 M518 I576 N578 S583	P487-A510 HydrophobicContact CB-CB 4.43Å; P487-A511 WeakPolarHBondContact CA-O 3.49Å; P487-M518 HydrophobicContact CB-CE 4.27Å; P487-M518 HydrophobicContact CB-SD 4.45Å; P487-I576 HydrophobicContact CB-CG2 4.13Å; P487-N578 WeakPolarHBondContact CD-OD1 3.22Å; P487-N578 HydrophobicContact CG-CB 4.08Å; P487-S583 WeakPolarHBondContact O-CB 3.32Å; P487-S583 PolarHBondContact O-OG 3.49Å
488	K	90.9	Very high	91.4	Very high	136 Å²	136	60 Å²	60	59%	0.591	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.7	177.1	-178.3	-177.2	177.2	-174.6	0	109	F484 K486 T490 A510 A511	F484-K488 HydrophobicContact CD2-CB 4.15Å; K486-K488 PolarHBondContact O-N 3.47Å; K488-T490 PolarHBondContact O-N 3.23Å; K488-A510 CarbonylContact O-C 3.58Å; K488-A510 WeakPolarHBondContact O-CA 3.19Å; K488-A510 WeakPolarHBondContact O-CB 3.44Å; K488-A511 PolarHBondContact N-O 3.02Å; K488-A511 PolarHBondContact O-N 3.07Å
489	I	92.7	Very high	91.4	Very high	27 Å²	27	61.4 Å²	61.4	14%	0.138	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	125.3	178.1	-65.9	173.9	0	0	0	109.4	V491 S509 A510	I489-V491 WeakPolarHBondContact CG2-O 3.15Å; I489-S509 CarbonylContact C-O 3.4Å; I489-S509 WeakPolarHBondContact CA-O 3.32Å; I489-S509 WeakPolarHBondContact CG2-O 3.11Å; I489-A510 HydrophobicContact CG1-CB 4.17Å
490	T	93.3	Very high	91.4	Very high	63 Å²	63	66.7 Å²	66.7	39%	0.387	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-33.1	-178.7	50.9	0	0	0	0	112	K488 S509 A511 E554	K488-T490 PolarHBondContact O-N 3.23Å; T490-S509 PolarHBondContact N-O 3.41Å; T490-S509 VanDerWaalsContact OG1-C 3.31Å; T490-S509 WeakPolarHBondContact OG1-CB 3.35Å; T490-S509 PolarHBondContact OG1-O 2.81Å; T490-A511 HydrophobicContact CG2-CB 3.96Å; T490-E554 VanDerWaalsContact CB-OE1 3.27Å; T490-E554 WeakPolarHBondContact CB-OE1 3.17Å; T490-E554 PolarHBondContact OG1-OE1 3.14Å
491	V	94.5	Very high	91.5	Very high	60 Å²	60	65.4 Å²	65.4	36%	0.364	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.2	175.6	-179.1	0	0	0	0	109.1	I489 C508 S509	I489-V491 WeakPolarHBondContact CG2-O 3.15Å; V491-C508 WeakPolarHBondContact O-CA 3.34Å; V491-C508 PolarHBondContact O-SG 2.81Å; V491-C508 VanDerWaalsContact O-SG 3.34Å; V491-S509 PolarHBondContact N-O 2.91Å; V491-S509 PolarHBondContact O-N 2.94Å
492	Q	95.9	Very high	91.9	Very high	86 Å²	86	64.4 Å²	64.4	40%	0.402	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-93.4	151	178.4	-62.1	-66.5	-12.6	0	0	110.9	S585 S586	Q492-S585 VanDerWaalsContact OE1-CA 3.25Å; Q492-S585 VanDerWaalsContact OE1-CB 3.3Å; Q492-S586 WeakPolarHBondContact CB-OG 3.11Å; Q492-S586 PolarHBondContact OE1-OG 3.06Å
493	P	96.6	Very high	92.6	Very high	5 Å²	5	61.4 Å²	61.4	3%	0.032	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-73.3	135.8	170.9	30.7	-32.8	0	0	0	111.1	F506 V507 W522 S585 S586 A588	P493-F506 HydrophobicContact CB-CB 4.42Å; P493-F506 HydrophobicContact CB-CD1 4.24Å; P493-V507 WeakPolarHBondContact CA-O 3.47Å; P493-V507 WeakPolarHBondContact CB-O 3.34Å; P493-W522 HydrophobicContact CB-CH2 4.04Å; P493-W522 HydrophobicContact CB-CZ3 4.07Å; P493-W522 HydrophobicContact CG-CZ3 4.34Å; P493-S585 VanDerWaalsContact CD-CB 3.47Å; P493-S585 WeakPolarHBondContact CD-OG 3.44Å; P493-S585 WeakPolarHBondContact CG-OG 3.42Å; P493-S586 WeakPolarHBondContact CG-O 3.12Å; P493-A588 HydrophobicContact CB-CB 3.97Å; P493-A588 HydrophobicContact CG-CB 4.2Å
494	E	96.7	Very high	93.2	Very high	152 Å²	152	58.7 Å²	58.7	71%	0.71	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-89.4	145.8	179.5	-61.3	-173.3	162.6	0	0	112.1	F506 A588	E494-F506 VanDerWaalsContact O-CE1 3.3Å; E494-F506 WeakPolarHBondContact O-CE1 3.25Å; E494-A588 WeakPolarHBondContact O-CB 3.25Å
495	T	96.8	Very high	93.7	Very high	86 Å²	86	58.3 Å²	58.3	53%	0.528	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-70	132.1	173.2	-75.3	0	0	0	0	110.1	R589	T495-R589 WeakPolarHBondContact CA-O 3.43Å; T495-R589 HydrophobicContact CG2-CB 3.95Å; T495-R589 WeakPolarHBondContact CG2-O 3.49Å; T495-R589 PolarHBondContact OG1-N 3.47Å
496	Q	94.6	Very high	94.1	Very high	62 Å²	62	58 Å²	58	29%	0.29	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.4	-171.4	-72	177.3	62.4	0	0	112.2	T505 F506 R589 L590 T591	Q496-T505 PolarHBondContact NE2-O 3.22Å; Q496-F506 HydrophobicContact CB-CE1 4.48Å; Q496-F506 HydrophobicContact CG-CE1 4.46Å; Q496-R589 PolarHBondContact N-O 3.09Å; Q496-L590 HydrophobicContact CB-CD1 4.44Å; Q496-L590 WeakPolarHBondContact O-CA 3.35Å; Q496-T591 PolarHBondContact O-N 3.19Å; Q496-T591 VanDerWaalsContact O-N 3.08Å
497	S	93.5	Very high	94.4	Very high	89 Å²	89	58.9 Å²	58.9	62%	0.622	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.5	167.6	56.3	0	0	0	0	109.5	T591	S497-T591 CarbonylContact C-O 3.52Å; S497-T591 WeakPolarHBondContact CA-O 3.11Å
498	A	94.2	Very high	94.6	Very high	13 Å²	13	58.9 Å²	58.9	11%	0.107	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	157.2	-175.4	0	0	0	0	0	111.6	A502 V504 V564 L590 T591 V592 N593	A498-A502 HydrophobicContact CB-CB 4.49Å; A498-V504 HydrophobicContact CB-CG2 3.38Å; A498-V564 HydrophobicContact CB-CG2 3.95Å; A498-L590 HydrophobicContact CB-CD1 4.1Å; A498-T591 PolarHBondContact N-O 2.86Å; A498-V592 CarbonylContact O-C 3.31Å; A498-V592 WeakPolarHBondContact O-CA 3.48Å; A498-N593 PolarHBondContact O-N 3.22Å
499	L	94.1	Very high	94.8	Very high	69 Å²	69	52.6 Å²	52.6	36%	0.361	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	145.8	168	-59	-177.3	0	0	0	110	G501 A502 V564 N593 L595 A675	L499-G501 PolarHBondContact O-N 3.31Å; L499-A502 HydrophobicContact CB-CB 4.44Å; L499-A502 WeakPolarHBondContact O-CB 3.44Å; L499-A502 PolarHBondContact O-N 3.5Å; L499-V564 WeakPolarHBondContact O-CG2 3.37Å; L499-N593 CarbonylContact C-O 3.53Å; L499-N593 WeakPolarHBondContact CA-O 3.46Å; L499-L595 HydrophobicContact CD1-CD1 3.77Å; L499-L595 HydrophobicContact CD1-CG 4.08Å; L499-L595 HydrophobicContact CD2-CG 4Å; L499-A675 HydrophobicContact CD2-CB 3.73Å
500	K	94.3	Very high	94.9	Very high	117 Å²	117	51.3 Å²	51.3	51%	0.509	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	128.7	169.7	-175	-179.2	175.5	-174.1	0	110	V564 V592 N593 I594	K500-V564 CarbonylContact C-O 3.56Å; K500-V564 WeakPolarHBondContact CA-O 3.12Å; K500-V592 HydrophobicContact CB-CG1 4.03Å; K500-N593 PolarHBondContact N-O 2.93Å; K500-I594 HydrophobicContact CB-CG1 4.07Å; K500-I594 HydrophobicContact CD-CD1 4.02Å; K500-I594 HydrophobicContact CD-CG1 4.35Å
501	G	92.8	Very high	94.8	Very high	38 Å²	38	48.8 Å²	48.8	39%	0.392	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	-6.6	-174.8	0	0	0	0	0	115.2	L499 N563 V564	L499-G501 PolarHBondContact O-N 3.31Å; G501-N563 WeakPolarHBondContact CA-OD1 3.27Å; G501-V564 PolarHBondContact N-O 2.89Å
502	A	93.9	Very high	94.6	Very high	33 Å²	33	46.1 Å²	46.1	27%	0.273	27%	0.266	S	S	.	.			trans	-69.2	170.3	175.1	0	0	0	0	0	112.5	A498 L499 N563 V564	A498-A502 HydrophobicContact CB-CB 4.49Å; L499-A502 HydrophobicContact CB-CB 4.44Å; L499-A502 WeakPolarHBondContact O-CB 3.44Å; L499-A502 PolarHBondContact O-N 3.5Å; A502-N563 WeakPolarHBondContact O-CA 3.49Å; A502-N563 PolarHBondContact O-N 3.29Å; A502-V564 HydrophobicContact CB-CG2 4.32Å; A502-V564 PolarHBondContact O-N 2.82Å
503	T	95	Very high	94.2	Very high	79 Å²	79	44 Å²	44	49%	0.485	26%	0.261	S	S	.	.			trans	-107.2	132.3	165.8	-62.8	0	0	0	0	109.1	Q560 L561 R562	T503-Q560 HydrophobicContact CG2-CG 3.9Å; T503-L561 CarbonylContact C-O 3.57Å; T503-L561 VanDerWaalsContact CA-O 3.29Å; T503-L561 WeakPolarHBondContact CA-O 3.1Å; T503-R562 HydrophobicContact CG2-CG 4.16Å
504	V	94.9	Very high	93.7	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.6	-177.3	177	0	0	0	0	108.8	A498 F506 L561 V564 L590	A498-V504 HydrophobicContact CB-CG2 3.38Å; V504-F506 HydrophobicContact CG1-CD2 4.37Å; V504-F506 HydrophobicContact CG1-CE2 3.91Å; V504-F506 HydrophobicContact CG1-CZ 4.18Å; V504-L561 HydrophobicContact CB-CB 4.38Å; V504-L561 PolarHBondContact N-O 3.41Å; V504-L561 PolarHBondContact O-N 3.48Å; V504-V564 HydrophobicContact CB-CG1 4.22Å; V504-V564 HydrophobicContact CG2-CG1 3.86Å; V504-V564 HydrophobicContact CG2-CG2 4.05Å; V504-L590 HydrophobicContact CG1-CD1 4.17Å; V504-L590 HydrophobicContact CG2-CD1 4.21Å
505	T	95.4	Very high	93.1	Very high	57 Å²	57	44.9 Å²	44.9	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.2	175.8	-56.2	0	0	0	0	109.6	Q496 V507 L559	Q496-T505 PolarHBondContact NE2-O 3.22Å; T505-V507 HydrophobicContact CG2-CG2 4.3Å; T505-L559 WeakPolarHBondContact CA-O 3.43Å
506	F	96.2	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	142.3	164.8	-65.9	-78.4	0	0	0	109.5	P493 E494 Q496 V504 W522 T558 L559 L561 Y572 A588 L590	P493-F506 HydrophobicContact CB-CB 4.42Å; P493-F506 HydrophobicContact CB-CD1 4.24Å; E494-F506 VanDerWaalsContact O-CE1 3.3Å; E494-F506 WeakPolarHBondContact O-CE1 3.25Å; Q496-F506 HydrophobicContact CB-CE1 4.48Å; Q496-F506 HydrophobicContact CG-CE1 4.46Å; V504-F506 HydrophobicContact CG1-CD2 4.37Å; V504-F506 HydrophobicContact CG1-CE2 3.91Å; V504-F506 HydrophobicContact CG1-CZ 4.18Å; F506-W522 HydrophobicContact CB-CE3 4.43Å; F506-W522 HydrophobicContact CB-CH2 3.52Å; F506-W522 HydrophobicContact CB-CZ2 4.38Å; F506-W522 HydrophobicContact CB-CZ3 3.55Å; F506-W522 HydrophobicContact CG-CZ3 4.34Å; F506-T558 CarbonylContact O-C 3.58Å; F506-T558 WeakPolarHBondContact O-CA 3.37Å; F506-L559 HydrophobicContact CB-CB 4.37Å; F506-L559 HydrophobicContact CD2-CD2 4.2Å; F506-L559 PolarHBondContact N-O 3.38Å; F506-L559 PolarHBondContact O-N 3.22Å; F506-L561 HydrophobicContact CD2-CD1 4.26Å; F506-L561 HydrophobicContact CE2-CD1 3.88Å; F506-Y572 HydrophobicContact CD2-CD1 4.38Å; F506-Y572 HydrophobicContact CD2-CD2 4.48Å; F506-Y572 HydrophobicContact CD2-CG 4.13Å; F506-Y572 HydrophobicContact CE2-CD1 4.25Å; F506-Y572 AromaticContact CE2-CD2 3.65Å; F506-Y572 HydrophobicContact CE2-CD2 3.65Å; F506-Y572 HydrophobicContact CE2-CE2 4.1Å; F506-Y572 AromaticContact CE2-CG 3.73Å; F506-Y572 HydrophobicContact CE2-CG 3.73Å; F506-Y572 AromaticContact CZ-CD2 3.86Å; F506-Y572 HydrophobicContact CZ-CD2 3.86Å; F506-Y572 HydrophobicContact CZ-CG 4.17Å; F506-A588 HydrophobicContact CD1-CB 4Å; F506-A588 HydrophobicContact CE1-CB 3.75Å; F506-L590 HydrophobicContact CE2-CD2 4.44Å; F506-L590 HydrophobicContact CZ-CB 4.03Å
507	V	95.5	Very high	92.3	Very high	59 Å²	59	43.7 Å²	43.7	36%	0.358	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.1	179.8	-176	0	0	0	0	108.6	P493 T505 T556 T558	P493-V507 WeakPolarHBondContact CA-O 3.47Å; P493-V507 WeakPolarHBondContact CB-O 3.34Å; T505-V507 HydrophobicContact CG2-CG2 4.3Å; V507-T556 HydrophobicContact CG1-CG2 3.81Å; V507-T558 HydrophobicContact CB-CG2 4.42Å; V507-T558 HydrophobicContact CG1-CG2 4.22Å; V507-T558 HydrophobicContact CG2-CG2 3.98Å
508	C	95.8	Very high	92.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.9	168.8	-177.5	0	0	0	0	109	V491 W522 T556 T557 C574	V491-C508 WeakPolarHBondContact O-CA 3.34Å; V491-C508 PolarHBondContact O-SG 2.81Å; V491-C508 VanDerWaalsContact O-SG 3.34Å; C508-W522 HydrophobicContact CB-CH2 3.84Å; C508-W522 HydrophobicContact CB-CZ2 3.83Å; C508-T556 WeakPolarHBondContact O-CA 3.07Å; C508-T557 HydrophobicContact CB-CG2 4.14Å; C508-T557 PolarHBondContact N-O 2.77Å; C508-T557 WeakPolarHBondContact O-CG2 3.38Å; C508-T557 PolarHBondContact O-N 3.31Å; C508-C574 HydrophobicContact CB-CB 3.45Å; C508-C574 VanDerWaalsContact CB-CB 3.45Å; C508-C574 VanDerWaalsContact SG-CB 3.52Å
509	S	94.3	Very high	92	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.6	177.9	-50.9	0	0	0	0	111	I489 T490 V491 Y555 T556	I489-S509 CarbonylContact C-O 3.4Å; I489-S509 WeakPolarHBondContact CA-O 3.32Å; I489-S509 WeakPolarHBondContact CG2-O 3.11Å; T490-S509 PolarHBondContact N-O 3.41Å; T490-S509 VanDerWaalsContact OG1-C 3.31Å; T490-S509 WeakPolarHBondContact OG1-CB 3.35Å; T490-S509 PolarHBondContact OG1-O 2.81Å; V491-S509 PolarHBondContact N-O 2.91Å; V491-S509 PolarHBondContact O-N 2.94Å; S509-Y555 CarbonylContact C-O 3.41Å; S509-Y555 WeakPolarHBondContact CA-O 3.26Å; S509-T556 PolarHBondContact OG-OG1 2.91Å
510	A	93.9	Very high	91.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	150.7	173.9	0	0	0	0	0	112.5	P487 K488 I489 E554 Y555 I576	P487-A510 HydrophobicContact CB-CB 4.43Å; K488-A510 CarbonylContact O-C 3.58Å; K488-A510 WeakPolarHBondContact O-CA 3.19Å; K488-A510 WeakPolarHBondContact O-CB 3.44Å; I489-A510 HydrophobicContact CG1-CB 4.17Å; A510-E554 WeakPolarHBondContact O-CA 3.35Å; A510-Y555 PolarHBondContact N-O 3.4Å; A510-Y555 PolarHBondContact O-N 3.26Å; A510-I576 HydrophobicContact CB-CB 4.34Å; A510-I576 HydrophobicContact CB-CD1 3.63Å; A510-I576 HydrophobicContact CB-CG2 4.11Å
511	A	92	Very high	91.7	Very high	9 Å²	9	38.3 Å²	38.3	7%	0.074	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	154.5	177.7	0	0	0	0	0	111.5	F484 P487 K488 T490 V552	F484-A511 HydrophobicContact CE2-CB 4.11Å; P487-A511 WeakPolarHBondContact CA-O 3.49Å; K488-A511 PolarHBondContact N-O 3.02Å; K488-A511 PolarHBondContact O-N 3.07Å; T490-A511 HydrophobicContact CG2-CB 3.96Å; A511-V552 HydrophobicContact CB-CG1 3.73Å
512	S	90.5	Very high	91.8	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.028	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.4	173	167.4	0	0	0	0	109.1	S514	S512-S514 PolarHBondContact OG-N 3.14Å; S512-S514 PolarHBondContact OG-O 2.97Å
513	S	87.2	Confident	91.6	Very high	43 Å²	43	35.1 Å²	35.1	30%	0.301	22%	0.215	S	C	.	.	S	Bend	trans	-81.4	-15	169.3	51	0	0	0	0	113.1	D483 F484	D483-S513 VanDerWaalsContact OD1-CB 3.29Å; D483-S513 WeakPolarHBondContact OD1-CB 3.24Å; D483-S513 PolarHBondContact OD1-OG 2.99Å; F484-S513 WeakPolarHBondContact CA-OG 3.38Å; F484-S513 PolarHBondContact N-OG 2.76Å; F484-S513 PolarHBondContact O-N 2.99Å; F484-S513 PolarHBondContact O-OG 2.81Å
514	S	85.4	Confident	91.4	Very high	21 Å²	21	33.4 Å²	33.4	15%	0.147	20%	0.2	C	C	.	.	S	Bend	trans	-89.1	138.6	166.7	172.3	0	0	0	0	111.7	S512 S516 F580	S512-S514 PolarHBondContact OG-N 3.14Å; S512-S514 PolarHBondContact OG-O 2.97Å; S514-S516 PolarHBondContact O-N 3.42Å; S514-S516 WeakPolarHBondContact OG-CB 3.42Å; S514-S516 PolarHBondContact OG-N 2.94Å; S514-S516 PolarHBondContact OG-OG 2.86Å; S514-F580 WeakPolarHBondContact OG-CE2 3.47Å
515	D	83.9	Confident	91	Very high	153 Å²	153	36.1 Å²	36.1	82%	0.818	22%	0.215	S	C	*	.			trans	-52.7	-9.2	160.5	64.1	-31.6	0	0	0	116.5
516	S	86.6	Confident	90.2	Very high	18 Å²	18	35.1 Å²	35.1	13%	0.126	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-58.8	127.1	-177.7	-71.9	0	0	0	0	111.6	S514 M518 F580	S514-S516 PolarHBondContact O-N 3.42Å; S514-S516 WeakPolarHBondContact OG-CB 3.42Å; S514-S516 PolarHBondContact OG-N 2.94Å; S514-S516 PolarHBondContact OG-OG 2.86Å; S516-M518 PolarHBondContact O-N 3.32Å; S516-F580 WeakPolarHBondContact OG-CE2 3.11Å
517	P	89.3	Confident	89.4	Confident	105 Å²	105	39.5 Å²	39.5	68%	0.682	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-60	129	-173.3	23.7	-34.1	0	0	0	111.5
518	M	89.9	Confident	89	Confident	19 Å²	19	40 Å²	40	9%	0.094	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-80	147.1	175.1	-66.9	-159.5	-169.3	0	0	111.9	P487 S516 F520 Y555 I576 S577	P487-M518 HydrophobicContact CB-CE 4.27Å; P487-M518 HydrophobicContact CB-SD 4.45Å; S516-M518 PolarHBondContact O-N 3.32Å; M518-F520 HydrophobicContact CB-CE1 4.18Å; M518-F520 HydrophobicContact CB-CE2 3.82Å; M518-F520 HydrophobicContact CB-CZ 3.42Å; M518-F520 VanDerWaalsContact CB-CZ 3.42Å; M518-F520 HydrophobicContact CG-CZ 4.38Å; M518-F520 HydrophobicContact SD-CE1 4.29Å; M518-F520 HydrophobicContact SD-CZ 4.17Å; M518-Y555 HydrophobicContact CB-CD2 4.42Å; M518-Y555 HydrophobicContact CB-CE2 4.49Å; M518-Y555 HydrophobicContact CB-CG 4.5Å; M518-Y555 HydrophobicContact CE-CD2 3.57Å; M518-Y555 HydrophobicContact CE-CE2 3.99Å; M518-Y555 HydrophobicContact CG-CD2 3.91Å; M518-Y555 HydrophobicContact CG-CE2 3.96Å; M518-Y555 HydrophobicContact CG-CG 4.43Å; M518-Y555 HydrophobicContact SD-CD2 3.38Å; M518-Y555 WeakPolarHBondContact SD-CD2 3.44Å; M518-Y555 HydrophobicContact SD-CE2 4.01Å; M518-Y555 HydrophobicContact SD-CG 3.86Å; M518-I576 HydrophobicContact CB-CG2 4.49Å; M518-I576 HydrophobicContact SD-CG2 3.68Å; M518-S577 CarbonylContact C-O 3.51Å
519	T	91.6	Very high	88.7	Confident	85 Å²	85	42.1 Å²	42.1	52%	0.521	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.2	172.3	55	0	0	0	0	108.7	I576 S577	T519-I576 WeakPolarHBondContact O-CA 3.35Å; T519-S577 PolarHBondContact N-O 2.78Å; T519-S577 PolarHBondContact O-N 3.33Å; T519-S577 PolarHBondContact OG1-O 3.47Å
520	F	90.6	Very high	88	Confident	39 Å²	39	48.3 Å²	48.3	17%	0.171	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.9	-171.3	-51.3	-89.1	0	0	0	108.6	M518 N536 Y555 T557 I576	M518-F520 HydrophobicContact CB-CE1 4.18Å; M518-F520 HydrophobicContact CB-CE2 3.82Å; M518-F520 HydrophobicContact CB-CZ 3.42Å; M518-F520 VanDerWaalsContact CB-CZ 3.42Å; M518-F520 HydrophobicContact CG-CZ 4.38Å; M518-F520 HydrophobicContact SD-CE1 4.29Å; M518-F520 HydrophobicContact SD-CZ 4.17Å; F520-N536 HydrophobicContact CD2-CB 4.19Å; F520-N536 HydrophobicContact CE2-CB 4.39Å; F520-Y555 HydrophobicContact CE1-CG 4.4Å; F520-Y555 HydrophobicContact CE2-CD1 4.27Å; F520-Y555 VanDerWaalsContact CZ-CB 3.43Å; F520-Y555 AromaticContact CZ-CD1 3.69Å; F520-Y555 HydrophobicContact CZ-CD1 3.69Å; F520-Y555 AromaticContact CZ-CG 3.71Å; F520-Y555 HydrophobicContact CZ-CG 3.71Å; F520-T557 HydrophobicContact CB-CG2 4.45Å; F520-T557 HydrophobicContact CD1-CG2 3.8Å; F520-T557 HydrophobicContact CG-CG2 4.47Å; F520-I576 HydrophobicContact CD1-CB 4.46Å; F520-I576 HydrophobicContact CD1-CD1 4.03Å; F520-I576 HydrophobicContact CD1-CG1 3.89Å; F520-I576 HydrophobicContact CD1-CG2 3.95Å; F520-I576 HydrophobicContact CE1-CD1 4.15Å; F520-I576 HydrophobicContact CE1-CG1 4.31Å; F520-I576 HydrophobicContact CE1-CG2 3.71Å
521	A	91.6	Very high	87.1	Confident	32 Å²	32	56.1 Å²	56.1	26%	0.264	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.1	171.7	0	0	0	0	0	108.9	V528 V575	A521-V528 HydrophobicContact CB-CG1 4.31Å; A521-V575 PolarHBondContact N-O 3.45Å; A521-V575 PolarHBondContact O-N 2.87Å
522	W	93.3	Very high	86.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	148.8	169.9	-75.4	82.9	0	0	0	110	P493 F506 C508 L529 I534 T557 L559 Q573 C574	P493-W522 HydrophobicContact CB-CH2 4.04Å; P493-W522 HydrophobicContact CB-CZ3 4.07Å; P493-W522 HydrophobicContact CG-CZ3 4.34Å; F506-W522 HydrophobicContact CB-CE3 4.43Å; F506-W522 HydrophobicContact CB-CH2 3.52Å; F506-W522 HydrophobicContact CB-CZ2 4.38Å; F506-W522 HydrophobicContact CB-CZ3 3.55Å; F506-W522 HydrophobicContact CG-CZ3 4.34Å; C508-W522 HydrophobicContact CB-CH2 3.84Å; C508-W522 HydrophobicContact CB-CZ2 3.83Å; W522-L529 HydrophobicContact CB-CD1 4.14Å; W522-L529 PolarHBondContact O-N 3.34Å; W522-I534 HydrophobicContact CB-CD1 4.32Å; W522-I534 HydrophobicContact CG-CD1 4.47Å; W522-T557 HydrophobicContact CZ2-CG2 4.09Å; W522-T557 PolarHBondContact NE1-OG1 3.13Å; W522-T557 VanDerWaalsContact NE1-OG1 3.07Å; W522-L559 HydrophobicContact CB-CD2 3.99Å; W522-L559 HydrophobicContact CD2-CB 3.61Å; W522-L559 HydrophobicContact CD2-CD2 3.92Å; W522-L559 HydrophobicContact CD2-CG 4.37Å; W522-L559 HydrophobicContact CE3-CB 4.06Å; W522-L559 HydrophobicContact CE3-CD2 3.8Å; W522-L559 HydrophobicContact CG-CB 3.85Å; W522-L559 HydrophobicContact CG-CD2 4.02Å; W522-L559 HydrophobicContact CG-CG 4.39Å; W522-L559 HydrophobicContact CZ2-CB 4.14Å; W522-Q573 CarbonylContact C-O 3.58Å; W522-Q573 WeakPolarHBondContact CA-O 3.45Å; W522-C574 HydrophobicContact CD2-CB 4.02Å; W522-C574 HydrophobicContact CE3-CB 3.98Å; W522-C574 HydrophobicContact CH2-CB 3.83Å; W522-C574 HydrophobicContact CZ2-CB 3.85Å; W522-C574 HydrophobicContact CZ3-CB 3.89Å
523	K	90	Very high	86.1	Confident	5 Å²	5	60.7 Å²	60.7	2%	0.022	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.3	175.6	-71	178.2	167.3	-167.5	0	110.8	N526 E527 V528 Y572 Q573 V575	K523-N526 WeakPolarHBondContact CD-O 3.48Å; K523-E527 CarbonylContact C-O 3.59Å; K523-E527 WeakPolarHBondContact CA-O 3.3Å; K523-E527 VanDerWaalsContact CB-O 3.29Å; K523-E527 WeakPolarHBondContact CB-O 3.38Å; K523-V528 HydrophobicContact CG-CG2 3.99Å; K523-Y572 CarbonylContact O-C 3.51Å; K523-Y572 VanDerWaalsContact O-CA 3.25Å; K523-Y572 WeakPolarHBondContact O-CA 3.45Å; K523-Q573 HydrophobicContact CB-CB 4.3Å; K523-Q573 PolarHBondContact N-O 3.04Å; K523-Q573 PolarHBondContact O-N 2.93Å; K523-V575 HydrophobicContact CD-CG2 3.91Å; K523-V575 HydrophobicContact CG-CG2 4.21Å
524	K	91.4	Very high	86	Confident	42 Å²	42	60.8 Å²	60.8	18%	0.183	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.2	164.5	-178	-174	-175.2	-69	0	108	N526 E527 L529 S567 N568 E569 Y572	K524-N526 PolarHBondContact O-N 2.96Å; K524-N526 VanDerWaalsContact O-N 3.09Å; K524-E527 PolarHBondContact N-O 3.43Å; K524-E527 PolarHBondContact O-N 3.26Å; K524-L529 HydrophobicContact CB-CD1 4.29Å; K524-L529 HydrophobicContact CB-CD2 3.88Å; K524-L529 HydrophobicContact CB-CG 4.26Å; K524-S567 WeakPolarHBondContact CE-O 3.26Å; K524-S567 PolarHBondContact NZ-O 3.22Å; K524-N568 WeakPolarHBondContact CE-O 3.24Å; K524-E569 VanDerWaalsContact CE-O 3.26Å; K524-E569 WeakPolarHBondContact CE-O 3.31Å; K524-E569 PolarHBondContact NZ-O 3.18Å; K524-Y572 HydrophobicContact CB-CD1 4.23Å; K524-Y572 HydrophobicContact CB-CE1 3.93Å; K524-Y572 HydrophobicContact CD-CE1 4.25Å; K524-Y572 HydrophobicContact CD-CE2 4.42Å; K524-Y572 HydrophobicContact CG-CE1 4.07Å; K524-Y572 HydrophobicContact CG-CE2 4.23Å
525	D	85.8	Confident	86.1	Confident	62 Å²	62	63.9 Å²	63.9	33%	0.332	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	36.6	179	-57.6	-53.9	0	0	0	113.3	E527 G570 K571	D525-E527 VanDerWaalsContact C-N 3.31Å; D525-E527 PolarHBondContact O-N 3.24Å; D525-G570 WeakPolarHBondContact OD1-CA 3.34Å; D525-G570 VanDerWaalsContact OD2-CA 3.3Å; D525-G570 WeakPolarHBondContact OD2-CA 3.47Å; D525-K571 PolarHBondContact N-O 3.18Å; D525-K571 PolarHBondContact OD1-N 3.26Å
526	N	78.8	Confident	86.1	Confident	36 Å²	36	60.3 Å²	60.3	19%	0.193	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	-10.1	-175.4	-38.1	-81.5	0	0	0	116.6	F337 W361 M366 K523 K524 K587	F337-N526 HydrophobicContact CE2-CB 4.17Å; W361-N526 HydrophobicContact CH2-CB 3.76Å; W361-N526 HydrophobicContact CZ3-CB 3.77Å; M366-N526 HydrophobicContact CE-CB 4.41Å; K523-N526 WeakPolarHBondContact CD-O 3.48Å; K524-N526 PolarHBondContact O-N 2.96Å; K524-N526 VanDerWaalsContact O-N 3.09Å; N526-K587 PolarHBondContact OD1-NZ 3.25Å
527	E	81.1	Confident	86	Confident	92 Å²	92	65.3 Å²	65.3	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	144	174.8	-56.6	-166.7	-173.9	0	0	111.6	R313 F337 K523 K524 D525	R313-E527 IonicContact CZ-OE1 2.75Å; R313-E527 IonicContact NH1-OE1 2.75Å; R313-E527 PolarHBondContact NH1-OE1 2.9Å; R313-E527 IonicContact NH1-OE2 2.66Å; R313-E527 IonicContact NH2-OE1 3.72Å; R313-E527 PolarHBondContact NH2-OE1 3.34Å; F337-E527 HydrophobicContact CE2-CG 4.17Å; K523-E527 CarbonylContact C-O 3.59Å; K523-E527 WeakPolarHBondContact CA-O 3.3Å; K523-E527 VanDerWaalsContact CB-O 3.29Å; K523-E527 WeakPolarHBondContact CB-O 3.38Å; K524-E527 PolarHBondContact N-O 3.43Å; K524-E527 PolarHBondContact O-N 3.26Å; D525-E527 VanDerWaalsContact C-N 3.31Å; D525-E527 PolarHBondContact O-N 3.24Å
528	V	85.9	Confident	85.6	Confident	70 Å²	70	63.1 Å²	63.1	42%	0.424	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.7	-178.8	178.7	0	0	0	0	110.9	A521 K523	A521-V528 HydrophobicContact CB-CG1 4.31Å; K523-V528 HydrophobicContact CG-CG2 3.99Å
529	L	89.6	Confident	85.1	Confident	44 Å²	44	66.6 Å²	66.6	23%	0.23	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	110.5	175	-60.2	174.2	0	0	0	109.6	W522 K524 A532 L559 Y572	W522-L529 HydrophobicContact CB-CD1 4.14Å; W522-L529 PolarHBondContact O-N 3.34Å; K524-L529 HydrophobicContact CB-CD1 4.29Å; K524-L529 HydrophobicContact CB-CD2 3.88Å; K524-L529 HydrophobicContact CB-CG 4.26Å; L529-A532 HydrophobicContact CB-CB 4.01Å; L529-A532 HydrophobicContact CD1-CB 4.47Å; L529-L559 HydrophobicContact CD1-CD1 4.35Å; L529-L559 HydrophobicContact CD1-CD2 3.91Å; L529-Y572 HydrophobicContact CD1-CD1 4.19Å; L529-Y572 HydrophobicContact CD1-CE1 3.89Å
530	N	79.9	Confident	84.3	Confident	135 Å²	135	68.2 Å²	68.2	72%	0.722	36%	0.364	S	S	*	.	S	Bend	trans	-85.6	-42.3	-179.2	-59.3	-42.6	0	0	0	112.5
531	D	74.7	Confident	83.2	Confident	165 Å²	165	72.9 Å²	72.9	88%	0.882	38%	0.38	S	S	*	.	S	Bend	trans	-105.6	28.4	-168	-50.2	-74.9	0	0	0	113.4
532	A	78.1	Confident	81.9	Confident	31 Å²	31	75.8 Å²	75.8	26%	0.256	39%	0.394	S	S	.	.	S	Bend	trans	-92.1	151.4	-175.8	0	0	0	0	0	113.3	L529 I534 L559	L529-A532 HydrophobicContact CB-CB 4.01Å; L529-A532 HydrophobicContact CD1-CB 4.47Å; A532-I534 VanDerWaalsContact C-N 3.32Å; A532-I534 HydrophobicContact CB-CD1 4.29Å; A532-I534 HydrophobicContact CB-CG1 4.14Å; A532-I534 PolarHBondContact O-N 2.95Å; A532-L559 HydrophobicContact CB-CD1 3.62Å
533	E	84.3	Confident	80.2	Confident	77 Å²	77	81.5 Å²	81.5	36%	0.36	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	84.9	173.2	-67.7	-172.2	-174.2	0	0	111.1	Q560 R562	E533-Q560 HydrophobicContact CB-CB 4.17Å; E533-Q560 PolarHBondContact O-N 3.21Å; E533-R562 VanDerWaalsContact CD-NE 3.26Å; E533-R562 VanDerWaalsContact CD-NH2 3.3Å; E533-R562 IonicContact OE1-CZ 2.7Å; E533-R562 IonicContact OE1-NE 2.88Å; E533-R562 PolarHBondContact OE1-NE 2.83Å; E533-R562 IonicContact OE1-NH2 2.65Å; E533-R562 PolarHBondContact OE1-NH2 3.12Å; E533-R562 IonicContact OE2-CZ 2.71Å; E533-R562 IonicContact OE2-NE 2.98Å; E533-R562 PolarHBondContact OE2-NE 3.32Å; E533-R562 IonicContact OE2-NH2 3.76Å; E533-R562 PolarHBondContact OE2-NH2 3.06Å
534	I	85	Confident	78.4	Confident	45 Å²	45	83.8 Å²	83.8	23%	0.231	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.5	178.9	-60.2	165.9	0	0	0	109.2	W522 A532 N536 T557 T558 L559	W522-I534 HydrophobicContact CB-CD1 4.32Å; W522-I534 HydrophobicContact CG-CD1 4.47Å; A532-I534 VanDerWaalsContact C-N 3.32Å; A532-I534 HydrophobicContact CB-CD1 4.29Å; A532-I534 HydrophobicContact CB-CG1 4.14Å; A532-I534 PolarHBondContact O-N 2.95Å; I534-N536 WeakPolarHBondContact CG2-OD1 3.03Å; I534-T557 WeakPolarHBondContact CG2-OG1 3.11Å; I534-T558 CarbonylContact C-O 3.58Å; I534-T558 WeakPolarHBondContact CA-O 2.92Å; I534-L559 HydrophobicContact CG1-CD1 4.21Å
535	H	85.9	Confident	76.4	Confident	86 Å²	86	89.1 Å²	89.1	40%	0.398	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	130.9	175.1	-56.2	84	0	0	0	109.5	T557 T558	H535-T557 CarbonylContact O-C 3.18Å; H535-T557 WeakPolarHBondContact O-CA 3.4Å; H535-T558 PolarHBondContact N-O 2.8Å; H535-T558 PolarHBondContact O-N 2.9Å
536	N	84.9	Confident	74.5	Confident	79 Å²	79	91.2 Å²	91.2	42%	0.422	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.2	-178.4	-57.2	-47.6	0	0	0	110	F520 I534 T556 T557	F520-N536 HydrophobicContact CD2-CB 4.19Å; F520-N536 HydrophobicContact CE2-CB 4.39Å; I534-N536 WeakPolarHBondContact CG2-OD1 3.03Å; N536-T556 WeakPolarHBondContact CA-O 3.49Å; N536-T557 WeakPolarHBondContact OD1-CB 3.38Å; N536-T557 PolarHBondContact OD1-OG1 2.97Å
537	Q	83.9	Confident	73.1	Confident	122 Å²	122	93.6 Å²	93.6	57%	0.57	54%	0.535	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.1	-179.2	-64.8	-177.6	-9.2	0	0	109.8	Y555 T556	Q537-Y555 CarbonylContact O-C 3.4Å; Q537-Y555 WeakPolarHBondContact O-CA 3.47Å; Q537-T556 PolarHBondContact N-O 3.14Å; Q537-T556 PolarHBondContact O-N 3.39Å
538	A	81.6	Confident	71.5	Confident	60 Å²	60	92.9 Å²	92.9	50%	0.496	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.1	-179.2	0	0	0	0	0	110.2	T553 Y555	A538-T553 HydrophobicContact CB-CG2 4.31Å; A538-Y555 HydrophobicContact CB-CD1 3.61Å; A538-Y555 HydrophobicContact CB-CE1 3.57Å; A538-Y555 HydrophobicContact CB-CG 4.36Å
539	H	80.1	Confident	69.9	Low	91 Å²	91	97.7 Å²	97.7	42%	0.421	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.4	124.8	179.9	-57.3	-72.4	0	0	0	109.7	R541 E554	H539-R541 PolarHBondContact O-N 3.27Å; H539-E554 PolarHBondContact N-O 3.01Å; H539-E554 PolarHBondContact O-N 3.19Å; H539-E554 VanDerWaalsContact O-O 3.12Å
540	L	73.4	Confident	68.6	Low	120 Å²	120	98.9 Å²	98.9	63%	0.628	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71	122.6	170.4	-78.3	156.7	0	0	0	109.1
541	R	68.4	Low	68	Low	137 Å²	137	99.4 Å²	99.4	52%	0.517	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.9	111.9	165.8	-79.9	-171.7	171.5	156.4	10.9	108.5	H539 Q543 V552 E554	H539-R541 PolarHBondContact O-N 3.27Å; R541-Q543 PolarHBondContact O-N 3.33Å; R541-V552 PolarHBondContact N-O 3.44Å; R541-V552 PolarHBondContact O-N 3.09Å; R541-E554 VanDerWaalsContact CZ-CD 3.47Å; R541-E554 IonicContact CZ-OE1 3.51Å; R541-E554 IonicContact CZ-OE2 2.85Å; R541-E554 IonicContact NE-OE2 2.59Å; R541-E554 PolarHBondContact NE-OE2 2.81Å; R541-E554 IonicContact NH1-OE1 3.62Å; R541-E554 PolarHBondContact NH1-OE1 2.86Å; R541-E554 IonicContact NH1-OE2 3.66Å; R541-E554 PolarHBondContact NH1-OE2 3.05Å; R541-E554 IonicContact NH2-OE1 2.7Å; R541-E554 IonicContact NH2-OE2 3.93Å; R541-E554 PolarHBondContact NH2-OE2 2.99Å
542	V	63.8	Low	68.3	Low	93 Å²	93	91.9 Å²	91.9	56%	0.564	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	115.6	164.7	-175.1	0	0	0	0	107	E549	V542-E549 HydrophobicContact CG1-CB 4.44Å; V542-E549 HydrophobicContact CG1-CG 4.49Å
543	Q	57.3	Low	68.4	Low	120 Å²	120	92.3 Å²	92.3	56%	0.561	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.3	174.1	-173	164.9	-1.3	0	0	108.7	R541 T550 V552	R541-Q543 PolarHBondContact O-N 3.33Å; Q543-T550 PolarHBondContact N-O 2.78Å; Q543-T550 PolarHBondContact O-N 2.82Å; Q543-T550 PolarHBondContact O-OG1 3.23Å; Q543-V552 HydrophobicContact CB-CG2 4.31Å
544	G	52.1	Low	68.6	Low	53 Å²	53	89 Å²	89	55%	0.546	51%	0.51	S	S	.	.			trans	-169.1	134.7	178.7	0	0	0	0	0	112	S548	G544-S548 WeakPolarHBondContact CA-O 3.47Å
545	D	49	Very low	68.9	Low	153 Å²	153	89.7 Å²	89.7	82%	0.818	51%	0.51	S	S	*	.	S	Bend	trans	-93.5	163.6	151.4	-159.6	-9.9	0	0	0	107.4	G547 S548	D545-G547 PolarHBondContact O-N 3.46Å; D545-S548 PolarHBondContact O-N 3.49Å
546	A	46.5	Very low	69.2	Low	107 Å²	107	86.7 Å²	86.7	88%	0.884	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	92.4	-160.9	0	0	0	0	0	114.6
547	G	49.2	Very low	69.7	Low	85 Å²	85	83 Å²	83	88%	0.876	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	148.4	-15	177.2	0	0	0	0	0	116	D545	D545-G547 PolarHBondContact O-N 3.46Å
548	S	47.7	Very low	70.2	Confident	77 Å²	77	78.7 Å²	78.7	54%	0.538	46%	0.46	S	S	.	.			trans	-142.3	101	175.4	-167.5	0	0	0	0	111.3	G544 D545	G544-S548 WeakPolarHBondContact CA-O 3.47Å; D545-S548 PolarHBondContact O-N 3.49Å
549	E	53.6	Low	70.8	Confident	171 Å²	171	75.9 Å²	75.9	80%	0.799	44%	0.436	S	S	*	.			trans	-86.2	105.9	172.2	-67.6	177.7	150.8	0	0	109	V542	V542-E549 HydrophobicContact CG1-CB 4.44Å; V542-E549 HydrophobicContact CG1-CG 4.49Å
550	T	61.1	Low	71.5	Confident	69 Å²	69	74.1 Å²	74.1	42%	0.423	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	114.1	167.9	52.7	0	0	0	0	109.3	Q543 V552	Q543-T550 PolarHBondContact N-O 2.78Å; Q543-T550 PolarHBondContact O-N 2.82Å; Q543-T550 PolarHBondContact O-OG1 3.23Å; T550-V552 PolarHBondContact O-N 3.46Å
551	E	67.9	Low	72.5	Confident	147 Å²	147	69.5 Å²	69.5	69%	0.687	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	105	172.4	-65.8	-167.7	155.3	0	0	109.2
552	V	80.1	Confident	73.6	Confident	6 Å²	6	69.9 Å²	69.9	4%	0.036	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.6	179.3	177.9	0	0	0	0	108.3	F484 A511 R541 Q543 T550 E554	F484-V552 HydrophobicContact CE2-CG1 4.42Å; F484-V552 HydrophobicContact CZ-CG1 3.92Å; F484-V552 HydrophobicContact CZ-CG2 4.21Å; A511-V552 HydrophobicContact CB-CG1 3.73Å; R541-V552 PolarHBondContact N-O 3.44Å; R541-V552 PolarHBondContact O-N 3.09Å; Q543-V552 HydrophobicContact CB-CG2 4.31Å; T550-V552 PolarHBondContact O-N 3.46Å; V552-E554 PolarHBondContact O-N 3.28Å
553	T	80.9	Confident	75	Confident	41 Å²	41	71.1 Å²	71.1	25%	0.252	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	117.9	173.3	-54.4	0	0	0	0	109.3	A538 Y555	A538-T553 HydrophobicContact CB-CG2 4.31Å; T553-Y555 HydrophobicContact CG2-CD2 3.89Å; T553-Y555 HydrophobicContact CG2-CE1 4.47Å; T553-Y555 HydrophobicContact CG2-CE2 3.38Å
554	E	88.3	Confident	76.7	Confident	7 Å²	7	65.4 Å²	65.4	3%	0.033	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	132.9	168.3	-173.3	179.4	-118.1	0	0	109.2	T490 A510 H539 R541 V552	T490-E554 VanDerWaalsContact CB-OE1 3.27Å; T490-E554 WeakPolarHBondContact CB-OE1 3.17Å; T490-E554 PolarHBondContact OG1-OE1 3.14Å; A510-E554 WeakPolarHBondContact O-CA 3.35Å; H539-E554 PolarHBondContact N-O 3.01Å; H539-E554 PolarHBondContact O-N 3.19Å; H539-E554 VanDerWaalsContact O-O 3.12Å; R541-E554 VanDerWaalsContact CZ-CD 3.47Å; R541-E554 IonicContact CZ-OE1 3.51Å; R541-E554 IonicContact CZ-OE2 2.85Å; R541-E554 IonicContact NE-OE2 2.59Å; R541-E554 PolarHBondContact NE-OE2 2.81Å; R541-E554 IonicContact NH1-OE1 3.62Å; R541-E554 PolarHBondContact NH1-OE1 2.86Å; R541-E554 IonicContact NH1-OE2 3.66Å; R541-E554 PolarHBondContact NH1-OE2 3.05Å; R541-E554 IonicContact NH2-OE1 2.7Å; R541-E554 IonicContact NH2-OE2 3.93Å; R541-E554 PolarHBondContact NH2-OE2 2.99Å; V552-E554 PolarHBondContact O-N 3.28Å
555	Y	90.8	Very high	78.8	Confident	59 Å²	59	66 Å²	66	23%	0.231	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.8	174.3	-66.6	-102.5	0	0	0	109.5	S509 A510 M518 F520 Q537 A538 T553	S509-Y555 CarbonylContact C-O 3.41Å; S509-Y555 WeakPolarHBondContact CA-O 3.26Å; A510-Y555 PolarHBondContact N-O 3.4Å; A510-Y555 PolarHBondContact O-N 3.26Å; M518-Y555 HydrophobicContact CB-CD2 4.42Å; M518-Y555 HydrophobicContact CB-CE2 4.49Å; M518-Y555 HydrophobicContact CB-CG 4.5Å; M518-Y555 HydrophobicContact CE-CD2 3.57Å; M518-Y555 HydrophobicContact CE-CE2 3.99Å; M518-Y555 HydrophobicContact CG-CD2 3.91Å; M518-Y555 HydrophobicContact CG-CE2 3.96Å; M518-Y555 HydrophobicContact CG-CG 4.43Å; M518-Y555 HydrophobicContact SD-CD2 3.38Å; M518-Y555 WeakPolarHBondContact SD-CD2 3.44Å; M518-Y555 HydrophobicContact SD-CE2 4.01Å; M518-Y555 HydrophobicContact SD-CG 3.86Å; F520-Y555 HydrophobicContact CE1-CG 4.4Å; F520-Y555 HydrophobicContact CE2-CD1 4.27Å; F520-Y555 VanDerWaalsContact CZ-CB 3.43Å; F520-Y555 AromaticContact CZ-CD1 3.69Å; F520-Y555 HydrophobicContact CZ-CD1 3.69Å; F520-Y555 AromaticContact CZ-CG 3.71Å; F520-Y555 HydrophobicContact CZ-CG 3.71Å; Q537-Y555 CarbonylContact O-C 3.4Å; Q537-Y555 WeakPolarHBondContact O-CA 3.47Å; A538-Y555 HydrophobicContact CB-CD1 3.61Å; A538-Y555 HydrophobicContact CB-CE1 3.57Å; A538-Y555 HydrophobicContact CB-CG 4.36Å; T553-Y555 HydrophobicContact CG2-CD2 3.89Å; T553-Y555 HydrophobicContact CG2-CE1 4.47Å; T553-Y555 HydrophobicContact CG2-CE2 3.38Å
556	T	92.9	Very high	80.9	Confident	24 Å²	24	62.6 Å²	62.6	15%	0.147	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.9	172.7	-62.7	0	0	0	0	108.9	V507 C508 S509 N536 Q537 T558	V507-T556 HydrophobicContact CG1-CG2 3.81Å; C508-T556 WeakPolarHBondContact O-CA 3.07Å; S509-T556 PolarHBondContact OG-OG1 2.91Å; N536-T556 WeakPolarHBondContact CA-O 3.49Å; Q537-T556 PolarHBondContact N-O 3.14Å; Q537-T556 PolarHBondContact O-N 3.39Å; T556-T558 HydrophobicContact CG2-CG2 4.22Å
557	T	94.1	Very high	83.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.3	171.5	178.7	0	0	0	0	109.3	C508 F520 W522 I534 H535 N536 C574 I576	C508-T557 HydrophobicContact CB-CG2 4.14Å; C508-T557 PolarHBondContact N-O 2.77Å; C508-T557 WeakPolarHBondContact O-CG2 3.38Å; C508-T557 PolarHBondContact O-N 3.31Å; F520-T557 HydrophobicContact CB-CG2 4.45Å; F520-T557 HydrophobicContact CD1-CG2 3.8Å; F520-T557 HydrophobicContact CG-CG2 4.47Å; W522-T557 HydrophobicContact CZ2-CG2 4.09Å; W522-T557 PolarHBondContact NE1-OG1 3.13Å; W522-T557 VanDerWaalsContact NE1-OG1 3.07Å; I534-T557 WeakPolarHBondContact CG2-OG1 3.11Å; H535-T557 CarbonylContact O-C 3.18Å; H535-T557 WeakPolarHBondContact O-CA 3.4Å; N536-T557 WeakPolarHBondContact OD1-CB 3.38Å; N536-T557 PolarHBondContact OD1-OG1 2.97Å; T557-C574 WeakPolarHBondContact CG2-SG 3.39Å; T557-I576 HydrophobicContact CG2-CD1 4.09Å
558	T	94.6	Very high	85.2	Confident	33 Å²	33	59.1 Å²	59.1	20%	0.202	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.9	175.9	67.8	0	0	0	0	110.4	F506 V507 I534 H535 T556	F506-T558 CarbonylContact O-C 3.58Å; F506-T558 WeakPolarHBondContact O-CA 3.37Å; V507-T558 HydrophobicContact CB-CG2 4.42Å; V507-T558 HydrophobicContact CG1-CG2 4.22Å; V507-T558 HydrophobicContact CG2-CG2 3.98Å; I534-T558 CarbonylContact C-O 3.58Å; I534-T558 WeakPolarHBondContact CA-O 2.92Å; H535-T558 PolarHBondContact N-O 2.8Å; H535-T558 PolarHBondContact O-N 2.9Å; T556-T558 HydrophobicContact CG2-CG2 4.22Å
559	L	95.7	Very high	87.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.1	173.3	166.2	65.2	0	0	0	108	T505 F506 W522 L529 A532 I534 L561 Y572	T505-L559 WeakPolarHBondContact CA-O 3.43Å; F506-L559 HydrophobicContact CB-CB 4.37Å; F506-L559 HydrophobicContact CD2-CD2 4.2Å; F506-L559 PolarHBondContact N-O 3.38Å; F506-L559 PolarHBondContact O-N 3.22Å; W522-L559 HydrophobicContact CB-CD2 3.99Å; W522-L559 HydrophobicContact CD2-CB 3.61Å; W522-L559 HydrophobicContact CD2-CD2 3.92Å; W522-L559 HydrophobicContact CD2-CG 4.37Å; W522-L559 HydrophobicContact CE3-CB 4.06Å; W522-L559 HydrophobicContact CE3-CD2 3.8Å; W522-L559 HydrophobicContact CG-CB 3.85Å; W522-L559 HydrophobicContact CG-CD2 4.02Å; W522-L559 HydrophobicContact CG-CG 4.39Å; W522-L559 HydrophobicContact CZ2-CB 4.14Å; L529-L559 HydrophobicContact CD1-CD1 4.35Å; L529-L559 HydrophobicContact CD1-CD2 3.91Å; A532-L559 HydrophobicContact CB-CD1 3.62Å; I534-L559 HydrophobicContact CG1-CD1 4.21Å; L559-L561 HydrophobicContact CD1-CD2 4Å; L559-L561 HydrophobicContact CD2-CD2 4.4Å; L559-L561 HydrophobicContact CG-CD2 4.16Å; L559-L561 HydrophobicContact CG-CG 4.31Å; L559-Y572 HydrophobicContact CD2-CD1 3.51Å; L559-Y572 HydrophobicContact CD2-CE1 3.8Å
560	Q	94.3	Very high	89.4	Confident	55 Å²	55	50.1 Å²	50.1	26%	0.257	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	127.4	177.4	-167.6	168.9	9.7	0	0	110.5	T503 E533 R562	T503-Q560 HydrophobicContact CG2-CG 3.9Å; E533-Q560 HydrophobicContact CB-CB 4.17Å; E533-Q560 PolarHBondContact O-N 3.21Å; Q560-R562 HydrophobicContact CG-CG 4.38Å
561	L	93.8	Very high	90.9	Very high	22 Å²	22	52.4 Å²	52.4	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	110.3	176.8	-55.7	173.7	0	0	0	107.8	T503 V504 F506 L559 V564 Y572 L590	T503-L561 CarbonylContact C-O 3.57Å; T503-L561 VanDerWaalsContact CA-O 3.29Å; T503-L561 WeakPolarHBondContact CA-O 3.1Å; V504-L561 HydrophobicContact CB-CB 4.38Å; V504-L561 PolarHBondContact N-O 3.41Å; V504-L561 PolarHBondContact O-N 3.48Å; F506-L561 HydrophobicContact CD2-CD1 4.26Å; F506-L561 HydrophobicContact CE2-CD1 3.88Å; L559-L561 HydrophobicContact CD1-CD2 4Å; L559-L561 HydrophobicContact CD2-CD2 4.4Å; L559-L561 HydrophobicContact CG-CD2 4.16Å; L559-L561 HydrophobicContact CG-CG 4.31Å; L561-V564 HydrophobicContact CB-CG1 3.73Å; L561-Y572 HydrophobicContact CD1-CE1 3.84Å; L561-Y572 HydrophobicContact CD1-CE2 4.16Å; L561-Y572 WeakPolarHBondContact CD1-OH 3.33Å; L561-Y572 HydrophobicContact CD2-CE1 4.42Å; L561-L590 HydrophobicContact CD1-CD2 3.9Å
562	R	92.8	Very high	92.2	Very high	145 Å²	145	45.5 Å²	45.5	55%	0.547	23%	0.229	S	C	.	.			trans	-94.8	148	-179.2	-55.5	-174.7	-166.8	-166.1	8.5	110.8	T503 E533 Q560 V564	T503-R562 HydrophobicContact CG2-CG 4.16Å; E533-R562 VanDerWaalsContact CD-NE 3.26Å; E533-R562 VanDerWaalsContact CD-NH2 3.3Å; E533-R562 IonicContact OE1-CZ 2.7Å; E533-R562 IonicContact OE1-NE 2.88Å; E533-R562 PolarHBondContact OE1-NE 2.83Å; E533-R562 IonicContact OE1-NH2 2.65Å; E533-R562 PolarHBondContact OE1-NH2 3.12Å; E533-R562 IonicContact OE2-CZ 2.71Å; E533-R562 IonicContact OE2-NE 2.98Å; E533-R562 PolarHBondContact OE2-NE 3.32Å; E533-R562 IonicContact OE2-NH2 3.76Å; E533-R562 PolarHBondContact OE2-NH2 3.06Å; Q560-R562 HydrophobicContact CG-CG 4.38Å; R562-V564 PolarHBondContact O-N 2.98Å
563	N	91.9	Very high	92.8	Very high	120 Å²	120	45.3 Å²	45.3	64%	0.642	23%	0.227	S	C	*	.	S	Bend	trans	53.1	49.9	175.3	-173.3	58.3	0	0	0	113.2	G501 A502	G501-N563 WeakPolarHBondContact CA-OD1 3.27Å; A502-N563 WeakPolarHBondContact O-CA 3.49Å; A502-N563 PolarHBondContact O-N 3.29Å
564	V	94.4	Very high	93.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.			trans	-63	140.6	-167	-64.3	0	0	0	0	113.8	A498 L499 K500 G501 A502 V504 L561 R562 N568 V592	A498-V564 HydrophobicContact CB-CG2 3.95Å; L499-V564 WeakPolarHBondContact O-CG2 3.37Å; K500-V564 CarbonylContact C-O 3.56Å; K500-V564 WeakPolarHBondContact CA-O 3.12Å; G501-V564 PolarHBondContact N-O 2.89Å; A502-V564 HydrophobicContact CB-CG2 4.32Å; A502-V564 PolarHBondContact O-N 2.82Å; V504-V564 HydrophobicContact CB-CG1 4.22Å; V504-V564 HydrophobicContact CG2-CG1 3.86Å; V504-V564 HydrophobicContact CG2-CG2 4.05Å; L561-V564 HydrophobicContact CB-CG1 3.73Å; R562-V564 PolarHBondContact O-N 2.98Å; V564-N568 VanDerWaalsContact CA-OD1 3.23Å; V564-N568 WeakPolarHBondContact CA-OD1 3.09Å; V564-N568 HydrophobicContact CB-CB 4.46Å; V564-V592 HydrophobicContact CB-CG2 4.37Å; V564-V592 HydrophobicContact CG2-CG1 4.48Å; V564-V592 HydrophobicContact CG2-CG2 4.2Å
565	D	94.6	Very high	93.6	Very high	65 Å²	65	43.6 Å²	43.6	35%	0.348	22%	0.217	S	C	.	.			trans	-131.8	-173.9	174.4	82.6	5.4	0	0	0	112.5	S567 N568	D565-S567 PolarHBondContact O-N 2.88Å; D565-S567 WeakPolarHBondContact OD1-CA 3.5Å; D565-S567 VanDerWaalsContact OD1-CB 3.23Å; D565-S567 WeakPolarHBondContact OD1-CB 3.14Å; D565-S567 PolarHBondContact OD1-N 2.97Å; D565-S567 PolarHBondContact OD1-OG 3.07Å; D565-N568 PolarHBondContact N-OD1 3.32Å; D565-N568 WeakPolarHBondContact O-CB 3.5Å; D565-N568 PolarHBondContact O-N 3.28Å
566	F	93.6	Very high	93.7	Very high	82 Å²	82	40.8 Å²	40.8	36%	0.36	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-65.7	-19.3	-176.5	-52.8	-42.6	0	0	0	114.2	N568 E569 V592 I594 R622	F566-N568 PolarHBondContact O-N 2.86Å; F566-E569 PolarHBondContact O-N 3.16Å; F566-V592 HydrophobicContact CD1-CB 4.11Å; F566-V592 HydrophobicContact CD1-CG1 4.05Å; F566-V592 HydrophobicContact CE1-CB 4.47Å; F566-V592 HydrophobicContact CE1-CG1 4.13Å; F566-V592 WeakPolarHBondContact CE1-O 3.35Å; F566-I594 HydrophobicContact CE1-CD1 4.49Å; F566-I594 HydrophobicContact CE1-CG1 4.41Å; F566-I594 HydrophobicContact CE2-CD1 4.37Å; F566-I594 HydrophobicContact CZ-CD1 3.62Å; F566-I594 HydrophobicContact CZ-CG1 3.99Å; F566-R622 VanDerWaalsContact CE1-CD 3.45Å; F566-R622 VanDerWaalsContact CZ-CD 3.5Å
567	S	93.1	Very high	93.6	Very high	84 Å²	84	40.4 Å²	40.4	59%	0.587	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-69.7	-21.6	171.5	75.6	0	0	0	0	112.3	K524 D565	K524-S567 WeakPolarHBondContact CE-O 3.26Å; K524-S567 PolarHBondContact NZ-O 3.22Å; D565-S567 PolarHBondContact O-N 2.88Å; D565-S567 WeakPolarHBondContact OD1-CA 3.5Å; D565-S567 VanDerWaalsContact OD1-CB 3.23Å; D565-S567 WeakPolarHBondContact OD1-CB 3.14Å; D565-S567 PolarHBondContact OD1-N 2.97Å; D565-S567 PolarHBondContact OD1-OG 3.07Å
568	N	93.7	Very high	93.4	Very high	35 Å²	35	40.8 Å²	40.8	19%	0.187	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-84.8	-10.1	175.7	-48.6	133.4	0	0	0	113	K524 V564 D565 F566 G570 Y572 L590	K524-N568 WeakPolarHBondContact CE-O 3.24Å; V564-N568 VanDerWaalsContact CA-OD1 3.23Å; V564-N568 WeakPolarHBondContact CA-OD1 3.09Å; V564-N568 HydrophobicContact CB-CB 4.46Å; D565-N568 PolarHBondContact N-OD1 3.32Å; D565-N568 WeakPolarHBondContact O-CB 3.5Å; D565-N568 PolarHBondContact O-N 3.28Å; F566-N568 PolarHBondContact O-N 2.86Å; N568-G570 PolarHBondContact O-N 3.21Å; N568-Y572 VanDerWaalsContact O-CE2 3.27Å; N568-Y572 WeakPolarHBondContact O-CE2 3.14Å; N568-Y572 PolarHBondContact O-OH 3.02Å; N568-Y572 VanDerWaalsContact O-OH 3.07Å; N568-L590 HydrophobicContact CB-CD2 4.12Å
569	E	94.5	Very high	93.1	Very high	47 Å²	47	45.8 Å²	45.8	22%	0.22	23%	0.227	C	C	.	.			trans	-63.3	132.8	173.2	-69	-164.4	127.1	0	0	111.3	K524 F566 T591 V592 R622	K524-E569 VanDerWaalsContact CE-O 3.26Å; K524-E569 WeakPolarHBondContact CE-O 3.31Å; K524-E569 PolarHBondContact NZ-O 3.18Å; F566-E569 PolarHBondContact O-N 3.16Å; E569-T591 WeakPolarHBondContact OE1-CG2 3.49Å; E569-V592 HydrophobicContact CG-CB 3.87Å; E569-V592 HydrophobicContact CG-CG2 3.89Å; E569-V592 PolarHBondContact OE1-N 3.47Å; E569-R622 IonicContact OE1-CZ 3.15Å; E569-R622 IonicContact OE1-NH1 3.1Å; E569-R622 PolarHBondContact OE1-NH1 2.93Å; E569-R622 IonicContact OE1-NH2 2.77Å; E569-R622 IonicContact OE2-CZ 3.45Å; E569-R622 VanDerWaalsContact OE2-CZ 3.28Å; E569-R622 IonicContact OE2-NH1 2.68Å; E569-R622 PolarHBondContact OE2-NH1 3.2Å; E569-R622 IonicContact OE2-NH2 2.7Å; E569-R622 PolarHBondContact OE2-NH2 3.38Å
570	G	93.8	Very high	92.7	Very high	12 Å²	12	47 Å²	47	12%	0.124	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-176.9	-174.5	0	0	0	0	0	113.7	D525 N568 R589 L590	D525-G570 WeakPolarHBondContact OD1-CA 3.34Å; D525-G570 VanDerWaalsContact OD2-CA 3.3Å; D525-G570 WeakPolarHBondContact OD2-CA 3.47Å; N568-G570 PolarHBondContact O-N 3.21Å; G570-R589 CarbonylContact O-C 3.45Å; G570-R589 WeakPolarHBondContact O-CA 3.42Å; G570-L590 PolarHBondContact N-O 2.78Å; G570-L590 PolarHBondContact O-N 3.03Å
571	K	93.5	Very high	92.3	Very high	116 Å²	116	44.4 Å²	44.4	50%	0.504	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	104.7	176.4	-71.3	174.5	-179.1	175.5	0	110	D525 K587 A588	D525-K571 PolarHBondContact N-O 3.18Å; D525-K571 PolarHBondContact OD1-N 3.26Å; K571-K587 HydrophobicContact CB-CB 4.42Å; K571-A588 CarbonylContact C-O 3.6Å; K571-A588 WeakPolarHBondContact CA-O 3.28Å
572	Y	94.7	Very high	92	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	144.4	177.6	-72.1	-91.7	0	0	0	112.2	F506 K523 K524 L529 L559 L561 N568 K587 A588 L590	F506-Y572 HydrophobicContact CD2-CD1 4.38Å; F506-Y572 HydrophobicContact CD2-CD2 4.48Å; F506-Y572 HydrophobicContact CD2-CG 4.13Å; F506-Y572 HydrophobicContact CE2-CD1 4.25Å; F506-Y572 AromaticContact CE2-CD2 3.65Å; F506-Y572 HydrophobicContact CE2-CD2 3.65Å; F506-Y572 HydrophobicContact CE2-CE2 4.1Å; F506-Y572 AromaticContact CE2-CG 3.73Å; F506-Y572 HydrophobicContact CE2-CG 3.73Å; F506-Y572 AromaticContact CZ-CD2 3.86Å; F506-Y572 HydrophobicContact CZ-CD2 3.86Å; F506-Y572 HydrophobicContact CZ-CG 4.17Å; K523-Y572 CarbonylContact O-C 3.51Å; K523-Y572 VanDerWaalsContact O-CA 3.25Å; K523-Y572 WeakPolarHBondContact O-CA 3.45Å; K524-Y572 HydrophobicContact CB-CD1 4.23Å; K524-Y572 HydrophobicContact CB-CE1 3.93Å; K524-Y572 HydrophobicContact CD-CE1 4.25Å; K524-Y572 HydrophobicContact CD-CE2 4.42Å; K524-Y572 HydrophobicContact CG-CE1 4.07Å; K524-Y572 HydrophobicContact CG-CE2 4.23Å; L529-Y572 HydrophobicContact CD1-CD1 4.19Å; L529-Y572 HydrophobicContact CD1-CE1 3.89Å; L559-Y572 HydrophobicContact CD2-CD1 3.51Å; L559-Y572 HydrophobicContact CD2-CE1 3.8Å; L561-Y572 HydrophobicContact CD1-CE1 3.84Å; L561-Y572 HydrophobicContact CD1-CE2 4.16Å; L561-Y572 WeakPolarHBondContact CD1-OH 3.33Å; L561-Y572 HydrophobicContact CD2-CE1 4.42Å; N568-Y572 VanDerWaalsContact O-CE2 3.27Å; N568-Y572 WeakPolarHBondContact O-CE2 3.14Å; N568-Y572 PolarHBondContact O-OH 3.02Å; N568-Y572 VanDerWaalsContact O-OH 3.07Å; Y572-K587 CarbonylContact O-C 3.52Å; Y572-K587 WeakPolarHBondContact O-CA 3.47Å; Y572-A588 PolarHBondContact N-O 2.83Å; Y572-A588 PolarHBondContact O-N 3.48Å; Y572-L590 HydrophobicContact CD2-CB 4Å; Y572-L590 HydrophobicContact CE2-CB 3.77Å; Y572-L590 HydrophobicContact CE2-CD2 4.03Å
573	Q	93.1	Very high	91.9	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141	179	178.2	175.3	59.4	0	0	110.2	D365 W522 K523 S585 K587	D365-Q573 PolarHBondContact OD1-NE2 2.83Å; W522-Q573 CarbonylContact C-O 3.58Å; W522-Q573 WeakPolarHBondContact CA-O 3.45Å; K523-Q573 HydrophobicContact CB-CB 4.3Å; K523-Q573 PolarHBondContact N-O 3.04Å; K523-Q573 PolarHBondContact O-N 2.93Å; Q573-S585 WeakPolarHBondContact CG-OG 3.38Å; Q573-S585 PolarHBondContact NE2-O 2.82Å; Q573-K587 HydrophobicContact CB-CG 4.22Å; Q573-K587 VanDerWaalsContact CD-CE 3.44Å; Q573-K587 HydrophobicContact CG-CG 4.46Å
574	C	94.1	Very high	91.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	142.4	168.3	-169.8	0	0	0	0	110.9	C508 W522 T557 I576 S585	C508-C574 HydrophobicContact CB-CB 3.45Å; C508-C574 VanDerWaalsContact CB-CB 3.45Å; C508-C574 VanDerWaalsContact SG-CB 3.52Å; W522-C574 HydrophobicContact CD2-CB 4.02Å; W522-C574 HydrophobicContact CE3-CB 3.98Å; W522-C574 HydrophobicContact CH2-CB 3.83Å; W522-C574 HydrophobicContact CZ2-CB 3.85Å; W522-C574 HydrophobicContact CZ3-CB 3.89Å; T557-C574 WeakPolarHBondContact CG2-SG 3.39Å; C574-I576 VanDerWaalsContact SG-CG1 3.59Å; C574-S585 PolarHBondContact N-OG 3.13Å; C574-S585 PolarHBondContact O-N 2.82Å
575	V	92.1	Very high	91.7	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.3	172.6	-170.4	0	0	0	0	108	A521 K523 S583 Y584	A521-V575 PolarHBondContact N-O 3.45Å; A521-V575 PolarHBondContact O-N 2.87Å; K523-V575 HydrophobicContact CD-CG2 3.91Å; K523-V575 HydrophobicContact CG-CG2 4.21Å; V575-S583 WeakPolarHBondContact CA-O 3.47Å; V575-Y584 HydrophobicContact CB-CD1 4.25Å; V575-Y584 HydrophobicContact CB-CE1 4.32Å; V575-Y584 HydrophobicContact CG1-CD1 3.76Å; V575-Y584 HydrophobicContact CG1-CE1 3.49Å; V575-Y584 VanDerWaalsContact CG1-CE1 3.49Å; V575-Y584 HydrophobicContact CG1-CG 4.5Å; V575-Y584 HydrophobicContact CG2-CD1 3.61Å; V575-Y584 HydrophobicContact CG2-CE1 3.85Å
576	I	92.2	Very high	91.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.2	-179	-53.8	-177.6	0	0	0	108.3	P487 A510 M518 T519 F520 T557 C574 S583	P487-I576 HydrophobicContact CB-CG2 4.13Å; A510-I576 HydrophobicContact CB-CB 4.34Å; A510-I576 HydrophobicContact CB-CD1 3.63Å; A510-I576 HydrophobicContact CB-CG2 4.11Å; M518-I576 HydrophobicContact CB-CG2 4.49Å; M518-I576 HydrophobicContact SD-CG2 3.68Å; T519-I576 WeakPolarHBondContact O-CA 3.35Å; F520-I576 HydrophobicContact CD1-CB 4.46Å; F520-I576 HydrophobicContact CD1-CD1 4.03Å; F520-I576 HydrophobicContact CD1-CG1 3.89Å; F520-I576 HydrophobicContact CD1-CG2 3.95Å; F520-I576 HydrophobicContact CE1-CD1 4.15Å; F520-I576 HydrophobicContact CE1-CG1 4.31Å; F520-I576 HydrophobicContact CE1-CG2 3.71Å; T557-I576 HydrophobicContact CG2-CD1 4.09Å; C574-I576 VanDerWaalsContact SG-CG1 3.59Å; I576-S583 PolarHBondContact N-O 2.9Å; I576-S583 PolarHBondContact O-N 2.95Å
577	S	91.2	Very high	91.5	Very high	17 Å²	17	33.8 Å²	33.8	12%	0.119	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141.8	-169.5	-45.8	0	0	0	0	111.9	M518 T519 G581 S582	M518-S577 CarbonylContact C-O 3.51Å; T519-S577 PolarHBondContact N-O 2.78Å; T519-S577 PolarHBondContact O-N 3.33Å; T519-S577 PolarHBondContact OG1-O 3.47Å; S577-G581 WeakPolarHBondContact CA-O 3.44Å; S577-S582 VanDerWaalsContact OG-CB 3.3Å; S577-S582 WeakPolarHBondContact OG-CB 3.3Å; S577-S582 PolarHBondContact OG-OG 3.39Å
578	N	90.6	Very high	91.7	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	-164.2	167.3	74.6	6.9	0	0	0	109.8	P485 P487 F580 G581	P485-N578 PolarHBondContact O-ND2 2.63Å; P485-N578 PolarHBondContact O-OD1 2.96Å; P487-N578 WeakPolarHBondContact CD-OD1 3.22Å; P487-N578 HydrophobicContact CG-CB 4.08Å; N578-F580 PolarHBondContact O-N 3.31Å; N578-F580 WeakPolarHBondContact OD1-CB 3.46Å; N578-F580 PolarHBondContact OD1-N 3.09Å; N578-G581 PolarHBondContact N-O 2.88Å; N578-G581 PolarHBondContact O-N 3.43Å
579	H	87.4	Confident	91.8	Very high	137 Å²	137	34.2 Å²	34.2	63%	0.634	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.7	178.8	-173.6	68.1	0	0	0	113.8	M411	M411-H579 VanDerWaalsContact CE-O 3.27Å; M411-H579 WeakPolarHBondContact CE-O 3.35Å
580	F	86.4	Confident	91.9	Very high	25 Å²	25	32.1 Å²	32.1	11%	0.11	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.5	-176.5	-62.2	-74.8	0	0	0	114.6	M411 L435 H462 P485 K486 S514 S516 N578	M411-F580 HydrophobicContact CE-CD1 4.49Å; L435-F580 HydrophobicContact CD2-CB 4.29Å; L435-F580 HydrophobicContact CD2-CD1 3.62Å; L435-F580 HydrophobicContact CD2-CE1 4.35Å; L435-F580 HydrophobicContact CD2-CG 4.29Å; H462-F580 HydrophobicContact CB-CD1 4.48Å; H462-F580 HydrophobicContact CB-CE1 3.95Å; H462-F580 AromaticContact CG-CE1 3.9Å; H462-F580 AromaticContact ND1-CE1 3.9Å; P485-F580 HydrophobicContact CB-CB 4.48Å; P485-F580 HydrophobicContact CB-CD1 4.4Å; P485-F580 HydrophobicContact CB-CD2 3.69Å; P485-F580 HydrophobicContact CB-CE2 3.9Å; P485-F580 HydrophobicContact CB-CG 3.94Å; P485-F580 HydrophobicContact CB-CZ 4.33Å; P485-F580 HydrophobicContact CG-CG 4.33Å; P485-F580 WeakPolarHBondContact O-CD2 3.3Å; K486-F580 HydrophobicContact CB-CB 4.41Å; S514-F580 WeakPolarHBondContact OG-CE2 3.47Å; S516-F580 WeakPolarHBondContact OG-CE2 3.11Å; N578-F580 PolarHBondContact O-N 3.31Å; N578-F580 WeakPolarHBondContact OD1-CB 3.46Å; N578-F580 PolarHBondContact OD1-N 3.09Å
581	G	86.6	Confident	91.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	135	-174.1	170.5	0	0	0	0	0	114.2	S577 N578	S577-G581 WeakPolarHBondContact CA-O 3.44Å; N578-G581 PolarHBondContact N-O 2.88Å; N578-G581 PolarHBondContact O-N 3.43Å
582	S	88.3	Confident	92	Very high	11 Å²	11	28 Å²	28	8%	0.077	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.2	-175.9	-44.9	0	0	0	0	111.4	K486 S577	K486-S582 WeakPolarHBondContact CE-O 3.16Å; K486-S582 PolarHBondContact NZ-O 3.49Å; S577-S582 VanDerWaalsContact OG-CB 3.3Å; S577-S582 WeakPolarHBondContact OG-CB 3.3Å; S577-S582 PolarHBondContact OG-OG 3.39Å
583	S	89.7	Confident	92	Very high	24 Å²	24	28.4 Å²	28.4	17%	0.168	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.3	171	-73.3	0	0	0	0	110.6	P487 V575 I576	P487-S583 WeakPolarHBondContact O-CB 3.32Å; P487-S583 PolarHBondContact O-OG 3.49Å; V575-S583 WeakPolarHBondContact CA-O 3.47Å; I576-S583 PolarHBondContact N-O 2.9Å; I576-S583 PolarHBondContact O-N 2.95Å
584	Y	90.7	Very high	92.1	Very high	39 Å²	39	31.1 Å²	31.1	15%	0.153	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.5	-166.2	-58.4	-95.5	0	0	0	109.8	W361 E364 D365 V575	W361-Y584 HydrophobicContact CB-CE1 3.73Å; W361-Y584 WeakPolarHBondContact CB-OH 3.4Å; E364-Y584 HydrophobicContact CB-CD2 4.4Å; E364-Y584 HydrophobicContact CB-CE2 3.54Å; E364-Y584 WeakPolarHBondContact OE2-CE2 3.44Å; E364-Y584 PolarHBondContact OE2-OH 3.18Å; D365-Y584 HydrophobicContact CB-CD1 3.79Å; D365-Y584 HydrophobicContact CB-CD2 4.11Å; D365-Y584 HydrophobicContact CB-CE1 4.22Å; D365-Y584 HydrophobicContact CB-CG 3.75Å; V575-Y584 HydrophobicContact CB-CD1 4.25Å; V575-Y584 HydrophobicContact CB-CE1 4.32Å; V575-Y584 HydrophobicContact CG1-CD1 3.76Å; V575-Y584 HydrophobicContact CG1-CE1 3.49Å; V575-Y584 VanDerWaalsContact CG1-CE1 3.49Å; V575-Y584 HydrophobicContact CG1-CG 4.5Å; V575-Y584 HydrophobicContact CG2-CD1 3.61Å; V575-Y584 HydrophobicContact CG2-CE1 3.85Å
585	S	92.9	Very high	92	Very high	5 Å²	5	34.9 Å²	34.9	4%	0.035	18%	0.176	C	C	.	.			trans	-76.6	168.3	-179.3	79.9	0	0	0	0	112.3	Q492 P493 Q573 C574	Q492-S585 VanDerWaalsContact OE1-CA 3.25Å; Q492-S585 VanDerWaalsContact OE1-CB 3.3Å; P493-S585 VanDerWaalsContact CD-CB 3.47Å; P493-S585 WeakPolarHBondContact CD-OG 3.44Å; P493-S585 WeakPolarHBondContact CG-OG 3.42Å; Q573-S585 WeakPolarHBondContact CG-OG 3.38Å; Q573-S585 PolarHBondContact NE2-O 2.82Å; C574-S585 PolarHBondContact N-OG 3.13Å; C574-S585 PolarHBondContact O-N 2.82Å
586	S	91.9	Very high	92.2	Very high	60 Å²	60	34.8 Å²	34.8	42%	0.42	18%	0.175	S	C	.	.			trans	-58.6	153.9	159.2	51.7	0	0	0	0	110.7	Q492 P493	Q492-S586 WeakPolarHBondContact CB-OG 3.11Å; Q492-S586 PolarHBondContact OE1-OG 3.06Å; P493-S586 WeakPolarHBondContact CG-O 3.12Å
587	K	91.6	Very high	92.3	Very high	72 Å²	72	37.5 Å²	37.5	31%	0.313	19%	0.194	S	C	.	.			trans	-91.7	106.1	-176.5	-62.6	-172.8	176.7	174.5	0	110.2	D365 N526 K571 Y572 Q573	D365-K587 IonicContact OD1-NZ 3.21Å; D365-K587 VanDerWaalsContact OD2-CE 3.28Å; D365-K587 WeakPolarHBondContact OD2-CE 3.46Å; D365-K587 IonicContact OD2-NZ 3.21Å; D365-K587 PolarHBondContact OD2-NZ 3.31Å; N526-K587 PolarHBondContact OD1-NZ 3.25Å; K571-K587 HydrophobicContact CB-CB 4.42Å; Y572-K587 CarbonylContact O-C 3.52Å; Y572-K587 WeakPolarHBondContact O-CA 3.47Å; Q573-K587 HydrophobicContact CB-CG 4.22Å; Q573-K587 VanDerWaalsContact CD-CE 3.44Å; Q573-K587 HydrophobicContact CG-CG 4.46Å
588	A	96.1	Very high	92.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127	178.4	0	0	0	0	0	110.5	P493 E494 F506 K571 Y572	P493-A588 HydrophobicContact CB-CB 3.97Å; P493-A588 HydrophobicContact CG-CB 4.2Å; E494-A588 WeakPolarHBondContact O-CB 3.25Å; F506-A588 HydrophobicContact CD1-CB 4Å; F506-A588 HydrophobicContact CE1-CB 3.75Å; K571-A588 CarbonylContact C-O 3.6Å; K571-A588 WeakPolarHBondContact CA-O 3.28Å; Y572-A588 PolarHBondContact N-O 2.83Å; Y572-A588 PolarHBondContact O-N 3.48Å
589	R	96.4	Very high	92.6	Very high	128 Å²	128	42.1 Å²	42.1	48%	0.483	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	138	174.2	-178.7	170.7	61.6	-147	-4.3	110.1	T495 Q496 G570	T495-R589 WeakPolarHBondContact CA-O 3.43Å; T495-R589 HydrophobicContact CG2-CB 3.95Å; T495-R589 WeakPolarHBondContact CG2-O 3.49Å; T495-R589 PolarHBondContact OG1-N 3.47Å; Q496-R589 PolarHBondContact N-O 3.09Å; G570-R589 CarbonylContact O-C 3.45Å; G570-R589 WeakPolarHBondContact O-CA 3.42Å
590	L	96.5	Very high	92.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.1	160.2	-174.4	50.8	0	0	0	109.1	Q496 A498 V504 F506 L561 N568 G570 Y572 V592	Q496-L590 HydrophobicContact CB-CD1 4.44Å; Q496-L590 WeakPolarHBondContact O-CA 3.35Å; A498-L590 HydrophobicContact CB-CD1 4.1Å; V504-L590 HydrophobicContact CG1-CD1 4.17Å; V504-L590 HydrophobicContact CG2-CD1 4.21Å; F506-L590 HydrophobicContact CE2-CD2 4.44Å; F506-L590 HydrophobicContact CZ-CB 4.03Å; L561-L590 HydrophobicContact CD1-CD2 3.9Å; N568-L590 HydrophobicContact CB-CD2 4.12Å; G570-L590 PolarHBondContact N-O 2.78Å; G570-L590 PolarHBondContact O-N 3.03Å; Y572-L590 HydrophobicContact CD2-CB 4Å; Y572-L590 HydrophobicContact CE2-CB 3.77Å; Y572-L590 HydrophobicContact CE2-CD2 4.03Å; L590-V592 HydrophobicContact CD2-CG2 4.37Å; L590-V592 HydrophobicContact CG-CG2 4.11Å
591	T	95	Very high	93.1	Very high	43 Å²	43	43.6 Å²	43.6	26%	0.264	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.4	167	-51.1	0	0	0	0	108.8	Q496 S497 A498 E569	Q496-T591 PolarHBondContact O-N 3.19Å; Q496-T591 VanDerWaalsContact O-N 3.08Å; S497-T591 CarbonylContact C-O 3.52Å; S497-T591 WeakPolarHBondContact CA-O 3.11Å; A498-T591 PolarHBondContact N-O 2.86Å; E569-T591 WeakPolarHBondContact OE1-CG2 3.49Å
592	V	95.5	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114	-178.2	178.7	0	0	0	0	110	A498 K500 V564 F566 E569 L590 R622	A498-V592 CarbonylContact O-C 3.31Å; A498-V592 WeakPolarHBondContact O-CA 3.48Å; K500-V592 HydrophobicContact CB-CG1 4.03Å; V564-V592 HydrophobicContact CB-CG2 4.37Å; V564-V592 HydrophobicContact CG2-CG1 4.48Å; V564-V592 HydrophobicContact CG2-CG2 4.2Å; F566-V592 HydrophobicContact CD1-CB 4.11Å; F566-V592 HydrophobicContact CD1-CG1 4.05Å; F566-V592 HydrophobicContact CE1-CB 4.47Å; F566-V592 HydrophobicContact CE1-CG1 4.13Å; F566-V592 WeakPolarHBondContact CE1-O 3.35Å; E569-V592 HydrophobicContact CG-CB 3.87Å; E569-V592 HydrophobicContact CG-CG2 3.89Å; E569-V592 PolarHBondContact OE1-N 3.47Å; L590-V592 HydrophobicContact CD2-CG2 4.37Å; L590-V592 HydrophobicContact CG-CG2 4.11Å; V592-R622 PolarHBondContact O-NH1 2.77Å
593	N	94.7	Very high	93.6	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.053	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	162.4	-174.5	-65.1	-18.5	0	0	0	111.7	A498 L499 K500 R622 A675	A498-N593 PolarHBondContact O-N 3.22Å; L499-N593 CarbonylContact C-O 3.53Å; L499-N593 WeakPolarHBondContact CA-O 3.46Å; K500-N593 PolarHBondContact N-O 2.93Å; N593-R622 CarbonylContact C-O 3.59Å; N593-R622 WeakPolarHBondContact CA-O 3.49Å; N593-R622 WeakPolarHBondContact CB-O 3.34Å; N593-A675 HydrophobicContact CB-CB 3.83Å
594	I	94.4	Very high	93.8	Very high	60 Å²	60	55 Å²	55	31%	0.308	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.8	167.7	-62	-176	0	0	0	107.3	K500 F566 R622 N673	K500-I594 HydrophobicContact CB-CG1 4.07Å; K500-I594 HydrophobicContact CD-CD1 4.02Å; K500-I594 HydrophobicContact CD-CG1 4.35Å; F566-I594 HydrophobicContact CE1-CD1 4.49Å; F566-I594 HydrophobicContact CE1-CG1 4.41Å; F566-I594 HydrophobicContact CE2-CD1 4.37Å; F566-I594 HydrophobicContact CZ-CD1 3.62Å; F566-I594 HydrophobicContact CZ-CG1 3.99Å; I594-R622 HydrophobicContact CB-CB 4.14Å; I594-R622 HydrophobicContact CG1-CB 4.36Å; I594-R622 PolarHBondContact N-O 3.49Å; I594-R622 PolarHBondContact O-N 2.97Å; I594-N673 PolarHBondContact O-ND2 3.39Å
595	L	92.8	Very high	94	Very high	79 Å²	79	55.2 Å²	55.2	41%	0.414	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	150.8	172.9	-82.7	164.7	0	0	0	111	L499 S597 A675	L499-L595 HydrophobicContact CD1-CD1 3.77Å; L499-L595 HydrophobicContact CD1-CG 4.08Å; L499-L595 HydrophobicContact CD2-CG 4Å; L595-S597 PolarHBondContact O-N 2.88Å; L595-A675 HydrophobicContact CD2-CB 4.2Å; L595-A675 VanDerWaalsContact CD2-O 3.26Å; L595-A675 WeakPolarHBondContact CD2-O 3.49Å; L595-A675 HydrophobicContact CG-CB 4.45Å
596	P	95.1	Very high	94	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.052	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	140.4	169.3	-21.2	34.6	0	0	0	110.6	E620 P625 A671 N673 G676 I678	P596-E620 CarbonylContact C-O 3.43Å; P596-E620 VanDerWaalsContact CA-O 3.31Å; P596-E620 WeakPolarHBondContact CA-O 3.42Å; P596-P625 HydrophobicContact CB-CB 4.11Å; P596-P625 HydrophobicContact CG-CB 4.24Å; P596-A671 HydrophobicContact CB-CB 4.33Å; P596-N673 WeakPolarHBondContact CD-OD1 3.38Å; P596-N673 HydrophobicContact CG-CB 4.43Å; P596-G676 WeakPolarHBondContact CG-O 3.43Å; P596-I678 HydrophobicContact CB-CD1 3.92Å; P596-I678 HydrophobicContact CB-CG1 3.92Å; P596-I678 HydrophobicContact CB-CG2 4.44Å
597	S	94.5	Very high	94	Very high	58 Å²	58	57.9 Å²	57.9	41%	0.406	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.1	172	-177.2	0	0	0	0	108.9	L595 T599 A619 E620	L595-S597 PolarHBondContact O-N 2.88Å; S597-T599 PolarHBondContact O-N 2.88Å; S597-A619 CarbonylContact O-C 3.56Å; S597-A619 WeakPolarHBondContact O-CA 3.41Å; S597-A619 WeakPolarHBondContact O-CB 3.16Å; S597-E620 PolarHBondContact N-O 3.24Å; S597-E620 PolarHBondContact O-N 3.18Å
598	F	94	Very high	93.9	Very high	39 Å²	39	60.4 Å²	60.4	17%	0.171	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	121.3	179.8	-71.4	-60	0	0	0	111.2	M601 C617 A618 A619 A671 I678 A680	F598-M601 HydrophobicContact CB-CG 3.49Å; F598-M601 VanDerWaalsContact CB-CG 3.49Å; F598-M601 HydrophobicContact CB-SD 4.25Å; F598-M601 HydrophobicContact CD1-CG 4.4Å; F598-M601 HydrophobicContact CD2-CG 3.69Å; F598-M601 HydrophobicContact CD2-SD 3.99Å; F598-M601 HydrophobicContact CG-CG 3.63Å; F598-M601 HydrophobicContact CG-SD 4.43Å; F598-C617 VanDerWaalsContact CE1-SG 3.52Å; F598-A618 CarbonylContact C-O 3.5Å; F598-A618 WeakPolarHBondContact CA-O 3.31Å; F598-A619 HydrophobicContact CD1-CB 4.14Å; F598-A671 HydrophobicContact CE1-CB 3.91Å; F598-A671 HydrophobicContact CZ-CB 4.48Å; F598-I678 HydrophobicContact CB-CD1 4.4Å; F598-I678 HydrophobicContact CD1-CD1 3.87Å; F598-I678 HydrophobicContact CD1-CG1 4.48Å; F598-I678 HydrophobicContact CD2-CD1 3.47Å; F598-I678 VanDerWaalsContact CD2-CD1 3.47Å; F598-I678 HydrophobicContact CD2-CG1 4.11Å; F598-I678 HydrophobicContact CE1-CD1 3.94Å; F598-I678 HydrophobicContact CE1-CG1 4.05Å; F598-I678 HydrophobicContact CE2-CB 4.08Å; F598-I678 HydrophobicContact CE2-CD1 3.55Å; F598-I678 HydrophobicContact CE2-CG1 3.63Å; F598-I678 HydrophobicContact CG-CD1 3.62Å; F598-I678 HydrophobicContact CZ-CB 4.38Å; F598-I678 HydrophobicContact CZ-CD1 3.8Å; F598-I678 HydrophobicContact CZ-CG1 3.61Å; F598-A680 HydrophobicContact CD2-CB 4.17Å; F598-A680 HydrophobicContact CE2-CB 3.52Å; F598-A680 HydrophobicContact CZ-CB 3.76Å
599	T	93.3	Very high	93.6	Very high	82 Å²	82	61.9 Å²	61.9	50%	0.503	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-23	166.9	52.9	0	0	0	0	111.4	S597 A618 E620	S597-T599 PolarHBondContact O-N 2.88Å; T599-A618 PolarHBondContact N-O 3.26Å; T599-A618 WeakPolarHBondContact OG1-CB 3.19Å; T599-A618 PolarHBondContact OG1-O 2.85Å; T599-E620 HydrophobicContact CG2-CB 3.98Å; T599-E620 HydrophobicContact CG2-CG 3.78Å
600	K	91.7	Very high	93.1	Very high	76 Å²	76	58.6 Å²	58.6	33%	0.33	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.3	164.5	-56.4	179.1	-173.3	177.4	0	109.6	E616 A618	K600-E616 HydrophobicContact CD-CB 3.92Å; K600-E616 VanDerWaalsContact CD-OE2 3.28Å; K600-E616 WeakPolarHBondContact CD-OE2 3.47Å; K600-E616 WeakPolarHBondContact CE-OE2 3.35Å; K600-E616 IonicContact NZ-OE2 2.64Å; K600-E616 PolarHBondContact NZ-OE2 3.47Å; K600-A618 HydrophobicContact CB-CB 3.69Å; K600-A618 HydrophobicContact CD-CB 3.92Å; K600-A618 HydrophobicContact CG-CB 3.7Å; K600-A618 PolarHBondContact N-O 3.29Å; K600-A618 VanDerWaalsContact N-O 3.08Å; K600-A618 PolarHBondContact O-N 2.84Å; K600-A618 VanDerWaalsContact O-O 3.06Å
601	M	92.6	Very high	92.8	Very high	117 Å²	117	60.4 Å²	60.4	58%	0.576	34%	0.339	S	S	*	.			trans	-113.1	147.8	172.6	-70.3	178.5	-77	0	0	110.1	F598 E616 A680	F598-M601 HydrophobicContact CB-CG 3.49Å; F598-M601 VanDerWaalsContact CB-CG 3.49Å; F598-M601 HydrophobicContact CB-SD 4.25Å; F598-M601 HydrophobicContact CD1-CG 4.4Å; F598-M601 HydrophobicContact CD2-CG 3.69Å; F598-M601 HydrophobicContact CD2-SD 3.99Å; F598-M601 HydrophobicContact CG-CG 3.63Å; F598-M601 HydrophobicContact CG-SD 4.43Å; M601-E616 CarbonylContact C-O 3.49Å; M601-E616 VanDerWaalsContact C-O 3.26Å; M601-A680 HydrophobicContact CB-CB 4.4Å; M601-A680 HydrophobicContact CG-CB 4.22Å
602	P	92.9	Very high	92.6	Very high	9 Å²	9	63.7 Å²	63.7	6%	0.058	35%	0.353	C	S	.	.			trans	-65.4	146.7	172.6	31.3	-37.1	0	0	0	110	E616 W629 C669 A680 A682	P602-E616 VanDerWaalsContact CA-O 3.26Å; P602-E616 WeakPolarHBondContact CA-O 3.03Å; P602-E616 VanDerWaalsContact N-O 3.08Å; P602-W629 HydrophobicContact CB-CH2 3.92Å; P602-W629 HydrophobicContact CB-CZ3 4.08Å; P602-W629 HydrophobicContact CG-CH2 4.47Å; P602-W629 HydrophobicContact CG-CZ3 4.44Å; P602-C669 HydrophobicContact CG-CB 4.15Å; P602-A680 HydrophobicContact CG-CB 4.13Å; P602-A682 HydrophobicContact CB-CB 3.71Å; P602-A682 HydrophobicContact CG-CB 4.29Å
603	M	93.1	Very high	92.4	Very high	150 Å²	150	63.8 Å²	63.8	74%	0.739	35%	0.354	S	S	*	.			trans	-125.5	148.3	-179.2	-58.5	-171.9	76.2	0	0	110.5	L605 L615 A682	M603-L605 PolarHBondContact O-N 2.82Å; M603-L615 WeakPolarHBondContact O-CD2 3.44Å; M603-A682 VanDerWaalsContact C-CB 3.45Å; M603-A682 WeakPolarHBondContact O-CB 3.46Å
604	D	95.3	Very high	92.2	Very high	118 Å²	118	69.5 Å²	69.5	63%	0.631	37%	0.374	S	S	*	.			trans	-53.2	131.5	177.4	-69.4	-31.9	0	0	0	111.4	T683	D604-T683 WeakPolarHBondContact CA-O 3.21Å; D604-T683 WeakPolarHBondContact OD1-CA 3.3Å; D604-T683 WeakPolarHBondContact OD1-CB 3.35Å; D604-T683 PolarHBondContact OD1-N 2.81Å; D604-T683 PolarHBondContact OD1-OG1 3.23Å
605	L	94.1	Very high	92.1	Very high	43 Å²	43	67 Å²	67	23%	0.225	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125.1	-174.4	-178.4	58.4	0	0	0	110.9	M603 I607 A613 L615 T683 L684 T685	M603-L605 PolarHBondContact O-N 2.82Å; L605-I607 HydrophobicContact CG-CB 4.45Å; L605-A613 HydrophobicContact CD2-CB 3.77Å; L605-L615 HydrophobicContact CB-CD2 4.1Å; L605-L615 HydrophobicContact CD2-CD2 4.28Å; L605-T683 PolarHBondContact N-O 3.44Å; L605-L684 HydrophobicContact CB-CD1 4.07Å; L605-L684 HydrophobicContact CD2-CD1 4.04Å; L605-L684 HydrophobicContact CG-CD1 4.03Å; L605-T685 PolarHBondContact O-N 2.96Å; L605-T685 PolarHBondContact O-OG1 3.21Å
606	T	92.4	Very high	92	Very high	92 Å²	92	66 Å²	66	56%	0.564	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.4	171	-53.8	0	0	0	0	108.8	T685 L687	T606-T685 WeakPolarHBondContact CA-OG1 3.33Å; T606-T685 PolarHBondContact OG1-OG1 3.04Å; T606-L687 HydrophobicContact CG2-CD1 3.56Å; T606-L687 HydrophobicContact CG2-CD2 4.28Å; T606-L687 HydrophobicContact CG2-CG 3.8Å
607	I	92.4	Very high	91.9	Very high	29 Å²	29	65.6 Å²	65.6	15%	0.149	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.3	-173.3	-157.6	172.3	0	0	0	112.9	L605 A611 M612 A613 V659 L684 T685 V686 L687	L605-I607 HydrophobicContact CG-CB 4.45Å; I607-A611 HydrophobicContact CD1-CB 3.8Å; I607-A611 HydrophobicContact CG1-CB 3.91Å; I607-M612 VanDerWaalsContact CD1-C 3.46Å; I607-M612 WeakPolarHBondContact CD1-O 3.48Å; I607-A613 HydrophobicContact CD1-CB 4.34Å; I607-A613 HydrophobicContact CG2-CB 4.47Å; I607-V659 HydrophobicContact CG2-CB 4.45Å; I607-V659 HydrophobicContact CG2-CG1 3.98Å; I607-V659 HydrophobicContact CG2-CG2 4.44Å; I607-L684 HydrophobicContact CG2-CD1 4.01Å; I607-T685 PolarHBondContact N-O 3.14Å; I607-V686 CarbonylContact O-C 3.31Å; I607-V686 WeakPolarHBondContact O-CA 3.38Å; I607-L687 PolarHBondContact O-N 3.26Å
608	R	89.2	Confident	91.7	Very high	124 Å²	124	62.9 Å²	62.9	47%	0.468	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	139.7	174.5	-173.8	174.2	176.5	178.6	-2.2	111.4	A611 L687 T689 L766	R608-A611 WeakPolarHBondContact O-CB 3.49Å; R608-A611 PolarHBondContact O-N 2.78Å; R608-L687 CarbonylContact C-O 3.22Å; R608-L687 VanDerWaalsContact CA-O 3.28Å; R608-L687 WeakPolarHBondContact CA-O 3.26Å; R608-T689 VanDerWaalsContact CZ-CG2 3.49Å; R608-T689 PolarHBondContact NH2-OG1 3Å; R608-L766 HydrophobicContact CB-CD1 4.36Å; R608-L766 HydrophobicContact CG-CD1 3.92Å
609	A	89.1	Confident	91.6	Very high	32 Å²	32	61.9 Å²	61.9	26%	0.264	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	143.8	172	0	0	0	0	0	111.9	A611 V659 V686 L687 E688	A609-A611 VanDerWaalsContact C-N 3.26Å; A609-A611 PolarHBondContact O-N 2.65Å; A609-V659 CarbonylContact C-O 3.35Å; A609-V659 VanDerWaalsContact CA-O 3.27Å; A609-V659 WeakPolarHBondContact CA-O 3.25Å; A609-V686 HydrophobicContact CB-CG1 3.88Å; A609-L687 PolarHBondContact N-O 2.9Å; A609-E688 HydrophobicContact CB-CG 3.85Å
610	G	86.2	Confident	91.7	Very high	60 Å²	60	63.8 Å²	63.8	62%	0.619	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-13.8	-172.9	0	0	0	0	0	115	V659	G610-V659 PolarHBondContact N-O 3.22Å
611	A	89.6	Confident	91.7	Very high	39 Å²	39	61.2 Å²	61.2	32%	0.322	33%	0.33	S	S	.	.	S	Bend	trans	-78.2	-175.2	175	0	0	0	0	0	112.5	I607 R608 A609 G658 V659	I607-A611 HydrophobicContact CD1-CB 3.8Å; I607-A611 HydrophobicContact CG1-CB 3.91Å; R608-A611 WeakPolarHBondContact O-CB 3.49Å; R608-A611 PolarHBondContact O-N 2.78Å; A609-A611 VanDerWaalsContact C-N 3.26Å; A609-A611 PolarHBondContact O-N 2.65Å; A611-G658 WeakPolarHBondContact O-CA 3.43Å; A611-G658 PolarHBondContact O-N 2.96Å; A611-V659 WeakPolarHBondContact O-CG2 3.47Å; A611-V659 PolarHBondContact O-N 3.2Å
612	M	91.4	Very high	91.7	Very high	113 Å²	113	59.9 Å²	59.9	56%	0.557	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.2	174.4	-177.6	-167.6	-66.7	0	0	110.2	I607 F655 I656 T657	I607-M612 VanDerWaalsContact CD1-C 3.46Å; I607-M612 WeakPolarHBondContact CD1-O 3.48Å; M612-F655 HydrophobicContact CG-CB 4.48Å; M612-F655 HydrophobicContact CG-CD2 4.26Å; M612-F655 HydrophobicContact SD-CD2 4.08Å; M612-I656 CarbonylContact C-O 3.56Å; M612-I656 VanDerWaalsContact CA-O 3.25Å; M612-I656 WeakPolarHBondContact CA-O 3.11Å; M612-T657 HydrophobicContact CE-CG2 4.23Å
613	A	91.3	Very high	91.7	Very high	2 Å²	2	62.3 Å²	62.3	2%	0.017	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	141.9	169.9	0	0	0	0	0	110	L605 I607 F655 I656 V659 L684	L605-A613 HydrophobicContact CD2-CB 3.77Å; I607-A613 HydrophobicContact CD1-CB 4.34Å; I607-A613 HydrophobicContact CG2-CB 4.47Å; A613-F655 CarbonylContact O-C 3.53Å; A613-F655 WeakPolarHBondContact O-CA 3.02Å; A613-F655 WeakPolarHBondContact O-CB 3.39Å; A613-I656 HydrophobicContact CB-CB 4.34Å; A613-I656 PolarHBondContact N-O 2.92Å; A613-I656 PolarHBondContact O-N 3.3Å; A613-V659 HydrophobicContact CB-CG2 3.58Å; A613-L684 HydrophobicContact CB-CD1 4Å; A613-L684 HydrophobicContact CB-CD2 4.21Å
614	R	91.4	Very high	91.6	Very high	129 Å²	129	60.1 Å²	60.1	49%	0.487	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	125.7	176.4	177.3	179.8	171.2	107.7	-6.9	108.8	E616 V653 F654	R614-E616 IonicContact CZ-OE1 2.72Å; R614-E616 IonicContact NE-OE1 2.71Å; R614-E616 PolarHBondContact NE-OE1 3.04Å; R614-E616 IonicContact NH2-OE1 2.76Å; R614-E616 PolarHBondContact NH2-OE1 3.37Å; R614-V653 HydrophobicContact CG-CG1 3.95Å; R614-V653 VanDerWaalsContact NH2-CG2 3.26Å; R614-F654 WeakPolarHBondContact CA-O 3.45Å
615	L	91.7	Very high	91.5	Very high	7 Å²	7	55.4 Å²	55.4	4%	0.037	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.1	170.5	-59.5	178.4	0	0	0	108	M603 L605 W629 F654 Y667 A682	M603-L615 WeakPolarHBondContact O-CD2 3.44Å; L605-L615 HydrophobicContact CB-CD2 4.1Å; L605-L615 HydrophobicContact CD2-CD2 4.28Å; L615-W629 HydrophobicContact CB-CH2 3.66Å; L615-W629 HydrophobicContact CB-CZ3 4.14Å; L615-W629 HydrophobicContact CD1-CH2 4.47Å; L615-W629 HydrophobicContact CD1-CZ3 4.1Å; L615-F654 HydrophobicContact CB-CD1 4.44Å; L615-F654 HydrophobicContact CD1-CD1 4.25Å; L615-F654 PolarHBondContact N-O 2.95Å; L615-F654 PolarHBondContact O-N 2.88Å; L615-F654 VanDerWaalsContact O-O 3.07Å; L615-Y667 HydrophobicContact CD1-CD2 4.39Å; L615-Y667 HydrophobicContact CD1-CG 3.94Å; L615-A682 HydrophobicContact CD2-CB 4.42Å
616	E	91.2	Very high	91.4	Very high	59 Å²	59	60.8 Å²	60.8	28%	0.276	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	140	177.8	-47.1	-155.3	167.3	0	0	109.7	K600 M601 P602 R614 D652 V653	K600-E616 HydrophobicContact CD-CB 3.92Å; K600-E616 VanDerWaalsContact CD-OE2 3.28Å; K600-E616 WeakPolarHBondContact CD-OE2 3.47Å; K600-E616 WeakPolarHBondContact CE-OE2 3.35Å; K600-E616 IonicContact NZ-OE2 2.64Å; K600-E616 PolarHBondContact NZ-OE2 3.47Å; M601-E616 CarbonylContact C-O 3.49Å; M601-E616 VanDerWaalsContact C-O 3.26Å; P602-E616 VanDerWaalsContact CA-O 3.26Å; P602-E616 WeakPolarHBondContact CA-O 3.03Å; P602-E616 VanDerWaalsContact N-O 3.08Å; R614-E616 IonicContact CZ-OE1 2.72Å; R614-E616 IonicContact NE-OE1 2.71Å; R614-E616 PolarHBondContact NE-OE1 3.04Å; R614-E616 IonicContact NH2-OE1 2.76Å; R614-E616 PolarHBondContact NH2-OE1 3.37Å; E616-D652 CarbonylContact C-O 3.54Å; E616-D652 WeakPolarHBondContact CA-O 3.49Å; E616-V653 HydrophobicContact CG-CG2 4.11Å
617	C	91.8	Very high	91.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.317	C	S	.	.			trans	-151.2	115.2	172.6	-172.9	0	0	0	0	109.7	F598 W629 D652 C669	F598-C617 VanDerWaalsContact CE1-SG 3.52Å; C617-W629 HydrophobicContact CB-CH2 3.77Å; C617-W629 HydrophobicContact CB-CZ2 3.39Å; C617-D652 PolarHBondContact N-O 3.26Å; C617-D652 WeakPolarHBondContact O-CB 3.33Å; C617-C669 HydrophobicContact CB-CB 3.68Å; C617-C669 WeakPolarHBondContact CB-SG 3.11Å; C617-C669 WeakPolarHBondContact SG-CB 3.45Å; C617-C669 CovalentContact SG-SG 2.02Å; C617-C669 PolarHBondContact SG-SG 2.87Å
618	A	91.3	Very high	91.1	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.8	-175.7	0	0	0	0	0	108.7	F598 T599 K600 D652	F598-A618 CarbonylContact C-O 3.5Å; F598-A618 WeakPolarHBondContact CA-O 3.31Å; T599-A618 PolarHBondContact N-O 3.26Å; T599-A618 WeakPolarHBondContact OG1-CB 3.19Å; T599-A618 PolarHBondContact OG1-O 2.85Å; K600-A618 HydrophobicContact CB-CB 3.69Å; K600-A618 HydrophobicContact CD-CB 3.92Å; K600-A618 HydrophobicContact CG-CB 3.7Å; K600-A618 PolarHBondContact N-O 3.29Å; K600-A618 VanDerWaalsContact N-O 3.08Å; K600-A618 PolarHBondContact O-N 2.84Å; K600-A618 VanDerWaalsContact O-O 3.06Å; A618-D652 HydrophobicContact CB-CB 3.58Å; A618-D652 VanDerWaalsContact CB-OD2 3.26Å; A618-D652 WeakPolarHBondContact CB-OD2 3.38Å
619	A	92.7	Very high	91.1	Very high	18 Å²	18	54.1 Å²	54.1	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.5	174.8	0	0	0	0	0	112	S597 F598 P625 I627 A671	S597-A619 CarbonylContact O-C 3.56Å; S597-A619 WeakPolarHBondContact O-CA 3.41Å; S597-A619 WeakPolarHBondContact O-CB 3.16Å; F598-A619 HydrophobicContact CD1-CB 4.14Å; A619-P625 HydrophobicContact CB-CB 4.4Å; A619-P625 HydrophobicContact CB-CG 3.67Å; A619-P625 WeakPolarHBondContact O-CG 3.15Å; A619-I627 HydrophobicContact CB-CD1 3.98Å; A619-A671 HydrophobicContact CB-CB 3.55Å
620	E	93.4	Very high	91.2	Very high	122 Å²	122	56 Å²	56	57%	0.57	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	159.9	169.4	67.8	179.5	-180	0	0	111	P596 S597 T599	P596-E620 CarbonylContact C-O 3.43Å; P596-E620 VanDerWaalsContact CA-O 3.31Å; P596-E620 WeakPolarHBondContact CA-O 3.42Å; S597-E620 PolarHBondContact N-O 3.24Å; S597-E620 PolarHBondContact O-N 3.18Å; T599-E620 HydrophobicContact CG2-CB 3.98Å; T599-E620 HydrophobicContact CG2-CG 3.78Å
621	G	92.1	Very high	91.4	Very high	21 Å²	21	54.8 Å²	54.8	22%	0.216	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.4	172.4	-179.3	0	0	0	0	0	111.6	P623	G621-P623 CarbonylContact C-O 3.49Å; G621-P623 VanDerWaalsContact C-O 3.27Å; G621-P623 CarbonylContact O-C 3.36Å
622	R	92.6	Very high	91.3	Very high	90 Å²	90	57.5 Å²	57.5	34%	0.34	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	114.8	174.7	-169.7	179.9	-175.7	-103	11.6	110.1	F566 E569 V592 N593 I594	F566-R622 VanDerWaalsContact CE1-CD 3.45Å; F566-R622 VanDerWaalsContact CZ-CD 3.5Å; E569-R622 IonicContact OE1-CZ 3.15Å; E569-R622 IonicContact OE1-NH1 3.1Å; E569-R622 PolarHBondContact OE1-NH1 2.93Å; E569-R622 IonicContact OE1-NH2 2.77Å; E569-R622 IonicContact OE2-CZ 3.45Å; E569-R622 VanDerWaalsContact OE2-CZ 3.28Å; E569-R622 IonicContact OE2-NH1 2.68Å; E569-R622 PolarHBondContact OE2-NH1 3.2Å; E569-R622 IonicContact OE2-NH2 2.7Å; E569-R622 PolarHBondContact OE2-NH2 3.38Å; V592-R622 PolarHBondContact O-NH1 2.77Å; N593-R622 CarbonylContact C-O 3.59Å; N593-R622 WeakPolarHBondContact CA-O 3.49Å; N593-R622 WeakPolarHBondContact CB-O 3.34Å; I594-R622 HydrophobicContact CB-CB 4.14Å; I594-R622 HydrophobicContact CG1-CB 4.36Å; I594-R622 PolarHBondContact N-O 3.49Å; I594-R622 PolarHBondContact O-N 2.97Å
623	P	93.5	Very high	90.8	Very high	59 Å²	59	54.9 Å²	54.9	38%	0.383	30%	0.302	S	S	.	.	S	Bend	cis	-56.8	159.9	-5.5	-23.3	35	0	0	0	113.3	G621 N673 T674	G621-P623 CarbonylContact C-O 3.49Å; G621-P623 VanDerWaalsContact C-O 3.27Å; G621-P623 CarbonylContact O-C 3.36Å; P623-N673 VanDerWaalsContact O-CB 3.3Å; P623-N673 WeakPolarHBondContact O-CB 3.46Å; P623-N673 PolarHBondContact O-ND2 2.93Å; P623-T674 VanDerWaalsContact CD-OG1 3.27Å; P623-T674 WeakPolarHBondContact CD-OG1 3.15Å; P623-T674 WeakPolarHBondContact CG-OG1 3.45Å
624	S	91.5	Very high	90.3	Very high	104 Å²	104	56.2 Å²	56.2	73%	0.727	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-54.1	130.8	177.4	-52.8	0	0	0	0	110.6
625	P	92.4	Very high	89.1	Confident	19 Å²	19	57.1 Å²	57.1	12%	0.123	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-73	142.8	-177.7	30.1	-34.3	0	0	0	111.6	P596 A619 A671 Q672 N673	P596-P625 HydrophobicContact CB-CB 4.11Å; P596-P625 HydrophobicContact CG-CB 4.24Å; A619-P625 HydrophobicContact CB-CB 4.4Å; A619-P625 HydrophobicContact CB-CG 3.67Å; A619-P625 WeakPolarHBondContact O-CG 3.15Å; P625-A671 HydrophobicContact CB-CB 4.29Å; P625-Q672 CarbonylContact C-O 3.54Å; P625-Q672 VanDerWaalsContact CA-O 3.27Å; P625-Q672 WeakPolarHBondContact CA-O 3.16Å; P625-N673 HydrophobicContact CB-CB 4.48Å
626	Q	91.4	Very high	88.1	Confident	156 Å²	156	60.5 Å²	60.5	73%	0.729	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	131.7	167.8	-66.5	-177.6	-14.3	0	0	109	A671 Q672	Q626-A671 WeakPolarHBondContact O-CA 3.45Å; Q626-Q672 PolarHBondContact N-O 3.5Å; Q626-Q672 PolarHBondContact O-N 3.37Å
627	I	89.8	Confident	87.7	Confident	43 Å²	43	59 Å²	59	22%	0.221	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.5	175.2	-57.5	-57.5	0	0	0	109.3	A619 T670 A671	A619-I627 HydrophobicContact CB-CD1 3.98Å; I627-T670 WeakPolarHBondContact CA-O 3.43Å; I627-A671 HydrophobicContact CD1-CB 3.61Å
628	A	89	Confident	86.7	Confident	50 Å²	50	60.9 Å²	60.9	41%	0.413	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.4	169.7	0	0	0	0	0	110.6	C669 T670	A628-C669 WeakPolarHBondContact O-CA 3.45Å; A628-T670 PolarHBondContact N-O 3.31Å; A628-T670 PolarHBondContact O-N 2.84Å; A628-T670 PolarHBondContact O-OG1 3.03Å
629	W	89.8	Confident	85.6	Confident	13 Å²	13	62.1 Å²	62.1	5%	0.049	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148.3	-178.9	-69.7	87.5	0	0	0	111.1	P602 L615 C617 F637 F654 S668 C669	P602-W629 HydrophobicContact CB-CH2 3.92Å; P602-W629 HydrophobicContact CB-CZ3 4.08Å; P602-W629 HydrophobicContact CG-CH2 4.47Å; P602-W629 HydrophobicContact CG-CZ3 4.44Å; L615-W629 HydrophobicContact CB-CH2 3.66Å; L615-W629 HydrophobicContact CB-CZ3 4.14Å; L615-W629 HydrophobicContact CD1-CH2 4.47Å; L615-W629 HydrophobicContact CD1-CZ3 4.1Å; C617-W629 HydrophobicContact CB-CH2 3.77Å; C617-W629 HydrophobicContact CB-CZ2 3.39Å; W629-F637 HydrophobicContact CB-CD1 4.06Å; W629-F637 HydrophobicContact CB-CD2 4Å; W629-F637 HydrophobicContact CB-CE1 3.74Å; W629-F637 HydrophobicContact CB-CE2 3.67Å; W629-F637 HydrophobicContact CB-CG 4.18Å; W629-F637 HydrophobicContact CB-CZ 3.53Å; W629-F637 HydrophobicContact CG-CE1 4.47Å; W629-F637 HydrophobicContact CG-CZ 4.29Å; W629-F637 WeakPolarHBondContact O-CB 3.34Å; W629-F637 WeakPolarHBondContact O-CD2 3.2Å; W629-F637 WeakPolarHBondContact O-CG 3.49Å; W629-F654 HydrophobicContact CD2-CB 4.07Å; W629-F654 HydrophobicContact CD2-CG 4.48Å; W629-F654 HydrophobicContact CH2-CB 4.22Å; W629-F654 HydrophobicContact CZ2-CB 3.67Å; W629-S668 CarbonylContact C-O 3.43Å; W629-S668 WeakPolarHBondContact CA-O 3.44Å; W629-C669 HydrophobicContact CD2-CB 4.19Å; W629-C669 HydrophobicContact CE3-CB 3.96Å; W629-C669 HydrophobicContact CH2-CB 4.09Å; W629-C669 HydrophobicContact CZ2-CB 4.28Å; W629-C669 HydrophobicContact CZ3-CB 3.91Å
630	Q	90.6	Very high	84.1	Confident	70 Å²	70	65.8 Å²	65.8	33%	0.327	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.1	173.8	-67.3	177.2	-13.9	0	0	109.4	Y667 S668	Q630-Y667 WeakPolarHBondContact O-CA 3.28Å; Q630-S668 PolarHBondContact N-O 2.76Å; Q630-S668 PolarHBondContact O-N 2.97Å
631	K	90.3	Very high	83.1	Confident	35 Å²	35	69.5 Å²	69.5	15%	0.152	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.2	172.1	-170.9	-176.2	-174.3	-76.6	0	109.1	G633 G634 F637 D663 I664 V666 Y667	K631-G633 PolarHBondContact O-N 3.32Å; K631-G633 VanDerWaalsContact O-N 3.08Å; K631-G634 PolarHBondContact O-N 3.41Å; K631-F637 HydrophobicContact CB-CE2 4.37Å; K631-D663 VanDerWaalsContact CE-O 3.31Å; K631-D663 WeakPolarHBondContact CE-O 3.36Å; K631-I664 PolarHBondContact NZ-O 3.14Å; K631-V666 CarbonylContact C-O 3.45Å; K631-V666 WeakPolarHBondContact CA-O 3.48Å; K631-Y667 HydrophobicContact CB-CE1 4.28Å; K631-Y667 HydrophobicContact CD-CE1 4.09Å; K631-Y667 HydrophobicContact CD-CE2 4.21Å; K631-Y667 WeakPolarHBondContact CD-OH 3.44Å; K631-Y667 WeakPolarHBondContact CE-OH 3.41Å; K631-Y667 HydrophobicContact CG-CE1 4.1Å; K631-Y667 HydrophobicContact CG-CE2 4.19Å
632	D	89.3	Confident	82.4	Confident	96 Å²	96	70.9 Å²	70.9	51%	0.513	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	31.3	176.2	-54.6	-45.1	0	0	0	114.6	G634 G665 V666	D632-G634 VanDerWaalsContact C-N 3.27Å; D632-G634 PolarHBondContact O-N 2.78Å; D632-G665 WeakPolarHBondContact OD1-CA 3.42Å; D632-V666 PolarHBondContact N-O 2.8Å; D632-V666 PolarHBondContact OD1-N 3.19Å
633	G	80.2	Confident	81.7	Confident	59 Å²	59	78 Å²	78	61%	0.608	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	8.9	-177	0	0	0	0	0	115.4	K631	K631-G633 PolarHBondContact O-N 3.32Å; K631-G633 VanDerWaalsContact O-N 3.08Å
634	G	80.1	Confident	81.4	Confident	30 Å²	30	76.8 Å²	76.8	31%	0.309	42%	0.424	S	S	.	.			trans	-69.1	147.4	176.5	0	0	0	0	0	113.6	K631 D632	K631-G634 PolarHBondContact O-N 3.41Å; D632-G634 VanDerWaalsContact C-N 3.27Å; D632-G634 PolarHBondContact O-N 2.78Å
635	T	67.3	Low	81.2	Confident	147 Å²	147	72.3 Å²	72.3	90%	0.902	39%	0.392	S	S	*	.	S	Bend	trans	-82.7	-8.4	-179	49.5	0	0	0	0	114.8
636	D	70.8	Confident	80.7	Confident	79 Å²	79	74.6 Å²	74.6	42%	0.422	40%	0.401	S	S	.	.	S	Bend	trans	-126.1	137.2	177.1	-177.3	26.7	0	0	0	110	R641	D636-R641 IonicContact OD2-CZ 3.68Å; D636-R641 IonicContact OD2-NE 3.11Å; D636-R641 PolarHBondContact OD2-NE 3.33Å; D636-R641 IonicContact OD2-NH2 2.72Å; D636-R641 PolarHBondContact OD2-NH2 2.88Å
637	F	81.1	Confident	80.2	Confident	26 Å²	26	69.7 Å²	69.7	11%	0.114	38%	0.381	C	S	.	.			trans	-103.5	124.1	-173.8	-166.2	-116.6	0	0	0	111.1	W629 K631 A639 A640 V647 F654 Y667	W629-F637 HydrophobicContact CB-CD1 4.06Å; W629-F637 HydrophobicContact CB-CD2 4Å; W629-F637 HydrophobicContact CB-CE1 3.74Å; W629-F637 HydrophobicContact CB-CE2 3.67Å; W629-F637 HydrophobicContact CB-CG 4.18Å; W629-F637 HydrophobicContact CB-CZ 3.53Å; W629-F637 HydrophobicContact CG-CE1 4.47Å; W629-F637 HydrophobicContact CG-CZ 4.29Å; W629-F637 WeakPolarHBondContact O-CB 3.34Å; W629-F637 WeakPolarHBondContact O-CD2 3.2Å; W629-F637 WeakPolarHBondContact O-CG 3.49Å; K631-F637 HydrophobicContact CB-CE2 4.37Å; F637-A639 HydrophobicContact CD1-CB 3.7Å; F637-A639 HydrophobicContact CE1-CB 3.81Å; F637-A639 PolarHBondContact O-N 2.85Å; F637-A640 PolarHBondContact O-N 2.96Å; F637-V647 HydrophobicContact CD1-CG2 4.2Å; F637-V647 HydrophobicContact CE1-CG2 3.72Å; F637-F654 AromaticContact CE1-CD2 3.87Å; F637-F654 HydrophobicContact CE1-CD2 3.87Å; F637-F654 AromaticContact CE1-CE2 3.58Å; F637-F654 HydrophobicContact CE1-CE2 3.58Å; F637-F654 HydrophobicContact CE1-CZ 4.12Å; F637-F654 HydrophobicContact CZ-CD1 4.41Å; F637-F654 AromaticContact CZ-CD2 3.93Å; F637-F654 HydrophobicContact CZ-CD2 3.93Å; F637-F654 HydrophobicContact CZ-CE1 4.06Å; F637-F654 AromaticContact CZ-CE2 3.53Å; F637-F654 HydrophobicContact CZ-CE2 3.53Å; F637-F654 HydrophobicContact CZ-CG 4.35Å; F637-F654 AromaticContact CZ-CZ 3.6Å; F637-F654 HydrophobicContact CZ-CZ 3.6Å; F637-Y667 HydrophobicContact CE2-CD1 4.03Å; F637-Y667 HydrophobicContact CE2-CE1 4.11Å; F637-Y667 HydrophobicContact CZ-CD1 4.23Å; F637-Y667 HydrophobicContact CZ-CE1 4.24Å
638	P	72.8	Confident	79.7	Confident	40 Å²	40	71.5 Å²	71.5	26%	0.26	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-60.2	-16.4	-168.4	-27.2	34.9	0	0	0	116.7	A640 R641 E642 M645	P638-A640 PolarHBondContact O-N 2.97Å; P638-R641 CarbonylContact O-C 3.34Å; P638-R641 WeakPolarHBondContact O-CA 3.37Å; P638-R641 PolarHBondContact O-N 3.03Å; P638-E642 PolarHBondContact O-N 3.13Å; P638-M645 HydrophobicContact CB-CE 4.43Å; P638-M645 HydrophobicContact CB-SD 3.95Å
639	A	67.1	Low	78.6	Confident	28 Å²	28	73.9 Å²	73.9	23%	0.231	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-58.8	-27	-178.2	0	0	0	0	0	114.8	F637 R641 M645 V647	F637-A639 HydrophobicContact CD1-CB 3.7Å; F637-A639 HydrophobicContact CE1-CB 3.81Å; F637-A639 PolarHBondContact O-N 2.85Å; A639-R641 PolarHBondContact O-N 2.03Å; A639-M645 HydrophobicContact CB-CB 3.92Å; A639-V647 HydrophobicContact CB-CG2 4.35Å
640	A	60.9	Low	77.7	Confident	95 Å²	95	82.4 Å²	82.4	79%	0.785	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-71.4	-17	173.3	0	0	0	0	0	113.4	F637 P638	F637-A640 PolarHBondContact O-N 2.96Å; P638-A640 PolarHBondContact O-N 2.97Å
641	R	71.8	Confident	76.7	Confident	199 Å²	199	83.4 Å²	83.4	75%	0.751	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-33.3	-172.4	-55.9	177.6	-176.3	-115.2	3.7	112.8	D636 P638 A639	D636-R641 IonicContact OD2-CZ 3.68Å; D636-R641 IonicContact OD2-NE 3.11Å; D636-R641 PolarHBondContact OD2-NE 3.33Å; D636-R641 IonicContact OD2-NH2 2.72Å; D636-R641 PolarHBondContact OD2-NH2 2.88Å; P638-R641 CarbonylContact O-C 3.34Å; P638-R641 WeakPolarHBondContact O-CA 3.37Å; P638-R641 PolarHBondContact O-N 3.03Å; A639-R641 PolarHBondContact O-N 2.03Å
642	E	78	Confident	76.2	Confident	51 Å²	51	84.4 Å²	84.4	24%	0.238	46%	0.456	C	S	.	.			trans	-113.2	116.4	-175.8	-173.4	166.5	-152.9	0	0	113.5	P638 R644 M645 K660	P638-E642 PolarHBondContact O-N 3.13Å; E642-R644 VanDerWaalsContact CD-NE 3.3Å; E642-R644 HydrophobicContact CG-CB 4.16Å; E642-R644 HydrophobicContact CG-CG 4.32Å; E642-R644 PolarHBondContact O-N 3.29Å; E642-R644 IonicContact OE1-CZ 3.7Å; E642-R644 VanDerWaalsContact OE1-CZ 3.32Å; E642-R644 IonicContact OE1-NE 3.54Å; E642-R644 PolarHBondContact OE1-NE 3.21Å; E642-R644 IonicContact OE1-NH2 3.02Å; E642-R644 PolarHBondContact OE1-NH2 3.33Å; E642-R644 VanDerWaalsContact OE1-NH2 3.08Å; E642-R644 IonicContact OE2-CZ 3.53Å; E642-R644 IonicContact OE2-NE 3.6Å; E642-R644 IonicContact OE2-NH2 3.56Å; E642-R644 PolarHBondContact OE2-NH2 2.79Å; E642-M645 PolarHBondContact O-N 2.86Å; E642-K660 IonicContact OE1-NZ 3.9Å; E642-K660 PolarHBondContact OE1-NZ 3.13Å; E642-K660 VanDerWaalsContact OE1-NZ 3.11Å
643	R	78.6	Confident	75.9	Confident	240 Å²	240	80 Å²	80	91%	0.906	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-2.3	-178.3	-60.4	-176.4	-178.1	-178.7	0.3	116.4	H646	R643-H646 PolarHBondContact O-CE1 2.9Å; R643-H646 VanDerWaalsContact O-CE1 3.28Å; R643-H646 PolarHBondContact O-NE2 3.11Å
644	R	87.7	Confident	76.2	Confident	33 Å²	33	77.2 Å²	77.2	13%	0.125	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-21.5	175.4	-65.5	-171.5	-56.1	116.5	11.5	113	E642 H646 I656 T657 G658 D663	E642-R644 VanDerWaalsContact CD-NE 3.3Å; E642-R644 HydrophobicContact CG-CB 4.16Å; E642-R644 HydrophobicContact CG-CG 4.32Å; E642-R644 PolarHBondContact O-N 3.29Å; E642-R644 IonicContact OE1-CZ 3.7Å; E642-R644 VanDerWaalsContact OE1-CZ 3.32Å; E642-R644 IonicContact OE1-NE 3.54Å; E642-R644 PolarHBondContact OE1-NE 3.21Å; E642-R644 IonicContact OE1-NH2 3.02Å; E642-R644 PolarHBondContact OE1-NH2 3.33Å; E642-R644 VanDerWaalsContact OE1-NH2 3.08Å; E642-R644 IonicContact OE2-CZ 3.53Å; E642-R644 IonicContact OE2-NE 3.6Å; E642-R644 IonicContact OE2-NH2 3.56Å; E642-R644 PolarHBondContact OE2-NH2 2.79Å; R644-H646 PolarHBondContact O-CD2 2.8Å; R644-I656 CarbonylContact O-C 3.44Å; R644-I656 WeakPolarHBondContact O-CA 3.29Å; R644-T657 WeakPolarHBondContact CA-OG1 3.27Å; R644-T657 WeakPolarHBondContact CB-O 3.48Å; R644-T657 WeakPolarHBondContact CD-O 3.31Å; R644-T657 PolarHBondContact O-N 3.21Å; R644-T657 PolarHBondContact O-OG1 2.89Å; R644-G658 PolarHBondContact NH1-O 3Å; R644-D663 IonicContact CZ-OD1 3.28Å; R644-D663 IonicContact CZ-OD2 2.72Å; R644-D663 IonicContact NH1-OD1 3.49Å; R644-D663 PolarHBondContact NH1-OD1 2.9Å; R644-D663 IonicContact NH1-OD2 3.08Å; R644-D663 PolarHBondContact NH1-OD2 3.31Å; R644-D663 IonicContact NH2-OD1 3.32Å; R644-D663 PolarHBondContact NH2-OD1 3.39Å; R644-D663 IonicContact NH2-OD2 2.75Å; R644-D663 PolarHBondContact NH2-OD2 2.83Å
645	M	86.5	Confident	76.6	Confident	9 Å²	9	77.7 Å²	77.7	4%	0.044	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.5	-170.4	-67.2	-158.5	-165.9	0	0	109.5	P638 A639 E642 F654 I656 D663	P638-M645 HydrophobicContact CB-CE 4.43Å; P638-M645 HydrophobicContact CB-SD 3.95Å; A639-M645 HydrophobicContact CB-CB 3.92Å; E642-M645 PolarHBondContact O-N 2.86Å; M645-F654 HydrophobicContact CB-CE2 4.05Å; M645-F654 HydrophobicContact CB-CZ 4.42Å; M645-F654 HydrophobicContact CG-CZ 4.42Å; M645-F654 HydrophobicContact SD-CZ 4.1Å; M645-I656 HydrophobicContact CE-CD1 4.22Å; M645-I656 HydrophobicContact CG-CG1 4.1Å; M645-I656 HydrophobicContact CG-CG2 4.15Å; M645-I656 HydrophobicContact SD-CD1 4.31Å; M645-I656 HydrophobicContact SD-CG1 4.47Å; M645-D663 WeakPolarHBondContact CE-OD1 3.25Å
646	H	81.5	Confident	77.8	Confident	68 Å²	68	70.7 Å²	70.7	32%	0.315	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	123.2	-173.5	-54.8	-75.6	0	0	0	110.3	R643 R644 F654 F655	R643-H646 PolarHBondContact O-CE1 2.9Å; R643-H646 VanDerWaalsContact O-CE1 3.28Å; R643-H646 PolarHBondContact O-NE2 3.11Å; R644-H646 PolarHBondContact O-CD2 2.8Å; H646-F654 CarbonylContact O-C 3.6Å; H646-F654 WeakPolarHBondContact O-CA 3.42Å; H646-F654 VanDerWaalsContact O-CD2 3.31Å; H646-F654 WeakPolarHBondContact O-CD2 3.21Å; H646-F655 HydrophobicContact CB-CD1 4.02Å; H646-F655 HydrophobicContact CB-CD2 4.29Å; H646-F655 HydrophobicContact CB-CE1 3.62Å; H646-F655 HydrophobicContact CB-CE2 3.91Å; H646-F655 HydrophobicContact CB-CG 4.34Å; H646-F655 HydrophobicContact CB-CZ 3.56Å; H646-F655 AromaticContact CD2-CD2 3.88Å; H646-F655 AromaticContact CD2-CE2 3.32Å; H646-F655 WeakPolarHBondContact CD2-CE2 3.45Å; H646-F655 AromaticContact CD2-CZ 3.75Å; H646-F655 AromaticContact CG-CE2 3.84Å; H646-F655 AromaticContact CG-CZ 3.79Å; H646-F655 PolarHBondContact N-O 2.72Å; H646-F655 PolarHBondContact O-N 3.28Å
647	V	81.7	Confident	78.7	Confident	52 Å²	52	69.2 Å²	69.2	32%	0.315	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.9	164.9	-176.9	0	0	0	0	107.1	F637 A639 P649 F654	F637-V647 HydrophobicContact CD1-CG2 4.2Å; F637-V647 HydrophobicContact CE1-CG2 3.72Å; A639-V647 HydrophobicContact CB-CG2 4.35Å; V647-P649 HydrophobicContact CG1-CG 4.36Å; V647-F654 HydrophobicContact CG2-CD2 3.8Å
648	M	77.8	Confident	79.1	Confident	81 Å²	81	69.6 Å²	69.6	40%	0.399	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	94.7	173.6	-69.6	-168.7	73.1	0	0	108.8	E650 D651 D652 V653 F655	M648-E650 VanDerWaalsContact C-N 3.25Å; M648-E650 PolarHBondContact O-N 2.59Å; M648-D651 HydrophobicContact CB-CB 4.1Å; M648-D651 WeakPolarHBondContact CE-OD2 3.03Å; M648-D651 PolarHBondContact O-N 2.63Å; M648-D652 PolarHBondContact O-N 2.97Å; M648-V653 PolarHBondContact N-O 2.81Å; M648-V653 PolarHBondContact O-N 2.89Å; M648-F655 HydrophobicContact CG-CE1 4.03Å; M648-F655 HydrophobicContact SD-CE1 3.72Å; M648-F655 HydrophobicContact SD-CZ 4.41Å
649	P	67.5	Low	80	Confident	100 Å²	100	67.8 Å²	67.8	65%	0.649	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-23.2	-175	-23.7	35	0	0	0	114.8	V647	V647-P649 HydrophobicContact CG1-CG 4.36Å
650	E	69.5	Low	81.1	Confident	193 Å²	193	69.8 Å²	69.8	90%	0.902	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-15.9	178.6	-62.1	-169.8	-177.4	0	0	113.5	M648	M648-E650 VanDerWaalsContact C-N 3.25Å; M648-E650 PolarHBondContact O-N 2.59Å
651	D	69.3	Low	82.2	Confident	91 Å²	91	68.4 Å²	68.4	49%	0.487	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	2.6	178.8	-78.3	-57.1	0	0	0	113	M648 V653	M648-D651 HydrophobicContact CB-CB 4.1Å; M648-D651 WeakPolarHBondContact CE-OD2 3.03Å; M648-D651 PolarHBondContact O-N 2.63Å; D651-V653 VanDerWaalsContact C-N 3.3Å; D651-V653 HydrophobicContact CB-CB 4.44Å; D651-V653 HydrophobicContact CB-CG2 4.49Å; D651-V653 WeakPolarHBondContact O-CG2 3.23Å; D651-V653 PolarHBondContact O-N 2.97Å
652	D	80.8	Confident	82.9	Confident	55 Å²	55	64.9 Å²	64.9	29%	0.294	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	33.6	-173.7	-63.8	-50.5	0	0	0	114.5	E616 C617 A618 M648	E616-D652 CarbonylContact C-O 3.54Å; E616-D652 WeakPolarHBondContact CA-O 3.49Å; C617-D652 PolarHBondContact N-O 3.26Å; C617-D652 WeakPolarHBondContact O-CB 3.33Å; A618-D652 HydrophobicContact CB-CB 3.58Å; A618-D652 VanDerWaalsContact CB-OD2 3.26Å; A618-D652 WeakPolarHBondContact CB-OD2 3.38Å; M648-D652 PolarHBondContact O-N 2.97Å
653	V	82.7	Confident	83.5	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.8	-165.9	168.9	0	0	0	0	113.4	R614 E616 M648 D651 F655	R614-V653 HydrophobicContact CG-CG1 3.95Å; R614-V653 VanDerWaalsContact NH2-CG2 3.26Å; E616-V653 HydrophobicContact CG-CG2 4.11Å; M648-V653 PolarHBondContact N-O 2.81Å; M648-V653 PolarHBondContact O-N 2.89Å; D651-V653 VanDerWaalsContact C-N 3.3Å; D651-V653 HydrophobicContact CB-CB 4.44Å; D651-V653 HydrophobicContact CB-CG2 4.49Å; D651-V653 WeakPolarHBondContact O-CG2 3.23Å; D651-V653 PolarHBondContact O-N 2.97Å; V653-F655 HydrophobicContact CG1-CD1 4.06Å
654	F	86.9	Confident	84.1	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.009	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.5	159.5	168.5	-113.4	0	0	0	110.1	R614 L615 W629 F637 M645 H646 V647 I656 Y667	R614-F654 WeakPolarHBondContact CA-O 3.45Å; L615-F654 HydrophobicContact CB-CD1 4.44Å; L615-F654 HydrophobicContact CD1-CD1 4.25Å; L615-F654 PolarHBondContact N-O 2.95Å; L615-F654 PolarHBondContact O-N 2.88Å; L615-F654 VanDerWaalsContact O-O 3.07Å; W629-F654 HydrophobicContact CD2-CB 4.07Å; W629-F654 HydrophobicContact CD2-CG 4.48Å; W629-F654 HydrophobicContact CH2-CB 4.22Å; W629-F654 HydrophobicContact CZ2-CB 3.67Å; F637-F654 AromaticContact CE1-CD2 3.87Å; F637-F654 HydrophobicContact CE1-CD2 3.87Å; F637-F654 AromaticContact CE1-CE2 3.58Å; F637-F654 HydrophobicContact CE1-CE2 3.58Å; F637-F654 HydrophobicContact CE1-CZ 4.12Å; F637-F654 HydrophobicContact CZ-CD1 4.41Å; F637-F654 AromaticContact CZ-CD2 3.93Å; F637-F654 HydrophobicContact CZ-CD2 3.93Å; F637-F654 HydrophobicContact CZ-CE1 4.06Å; F637-F654 AromaticContact CZ-CE2 3.53Å; F637-F654 HydrophobicContact CZ-CE2 3.53Å; F637-F654 HydrophobicContact CZ-CG 4.35Å; F637-F654 AromaticContact CZ-CZ 3.6Å; F637-F654 HydrophobicContact CZ-CZ 3.6Å; M645-F654 HydrophobicContact CB-CE2 4.05Å; M645-F654 HydrophobicContact CB-CZ 4.42Å; M645-F654 HydrophobicContact CG-CZ 4.42Å; M645-F654 HydrophobicContact SD-CZ 4.1Å; H646-F654 CarbonylContact O-C 3.6Å; H646-F654 WeakPolarHBondContact O-CA 3.42Å; H646-F654 VanDerWaalsContact O-CD2 3.31Å; H646-F654 WeakPolarHBondContact O-CD2 3.21Å; V647-F654 HydrophobicContact CG2-CD2 3.8Å; F654-I656 HydrophobicContact CE1-CD1 3.86Å; F654-I656 HydrophobicContact CE1-CG1 3.7Å; F654-I656 HydrophobicContact CE2-CG1 4.25Å; F654-I656 HydrophobicContact CZ-CD1 3.75Å; F654-I656 HydrophobicContact CZ-CG1 3.4Å; F654-I656 VanDerWaalsContact CZ-CG1 3.4Å; F654-Y667 HydrophobicContact CD1-CD1 4.22Å; F654-Y667 HydrophobicContact CD1-CE1 4.47Å; F654-Y667 AromaticContact CE1-CD1 3.56Å; F654-Y667 HydrophobicContact CE1-CD1 3.56Å; F654-Y667 AromaticContact CE1-CE1 3.41Å; F654-Y667 HydrophobicContact CE1-CE1 3.41Å; F654-Y667 VanDerWaalsContact CE1-CE1 3.41Å; F654-Y667 HydrophobicContact CZ-CD1 4.24Å; F654-Y667 AromaticContact CZ-CE1 3.75Å; F654-Y667 HydrophobicContact CZ-CE1 3.75Å
655	F	89.1	Confident	84.3	Confident	39 Å²	39	53.5 Å²	53.5	17%	0.171	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	152.4	173.5	67.6	-87	0	0	0	113.8	M612 A613 H646 M648 V653 T657	M612-F655 HydrophobicContact CG-CB 4.48Å; M612-F655 HydrophobicContact CG-CD2 4.26Å; M612-F655 HydrophobicContact SD-CD2 4.08Å; A613-F655 CarbonylContact O-C 3.53Å; A613-F655 WeakPolarHBondContact O-CA 3.02Å; A613-F655 WeakPolarHBondContact O-CB 3.39Å; H646-F655 HydrophobicContact CB-CD1 4.02Å; H646-F655 HydrophobicContact CB-CD2 4.29Å; H646-F655 HydrophobicContact CB-CE1 3.62Å; H646-F655 HydrophobicContact CB-CE2 3.91Å; H646-F655 HydrophobicContact CB-CG 4.34Å; H646-F655 HydrophobicContact CB-CZ 3.56Å; H646-F655 AromaticContact CD2-CD2 3.88Å; H646-F655 AromaticContact CD2-CE2 3.32Å; H646-F655 WeakPolarHBondContact CD2-CE2 3.45Å; H646-F655 AromaticContact CD2-CZ 3.75Å; H646-F655 AromaticContact CG-CE2 3.84Å; H646-F655 AromaticContact CG-CZ 3.79Å; H646-F655 PolarHBondContact N-O 2.72Å; H646-F655 PolarHBondContact O-N 3.28Å; M648-F655 HydrophobicContact CG-CE1 4.03Å; M648-F655 HydrophobicContact SD-CE1 3.72Å; M648-F655 HydrophobicContact SD-CZ 4.41Å; V653-F655 HydrophobicContact CG1-CD1 4.06Å; F655-T657 HydrophobicContact CD2-CG2 3.88Å; F655-T657 HydrophobicContact CE2-CG2 3.8Å
656	I	91.6	Very high	84.7	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.5	177.6	-50.2	179.8	0	0	0	108.2	M612 A613 R644 M645 F654 V659 D663 Y667 L684	M612-I656 CarbonylContact C-O 3.56Å; M612-I656 VanDerWaalsContact CA-O 3.25Å; M612-I656 WeakPolarHBondContact CA-O 3.11Å; A613-I656 HydrophobicContact CB-CB 4.34Å; A613-I656 PolarHBondContact N-O 2.92Å; A613-I656 PolarHBondContact O-N 3.3Å; R644-I656 CarbonylContact O-C 3.44Å; R644-I656 WeakPolarHBondContact O-CA 3.29Å; M645-I656 HydrophobicContact CE-CD1 4.22Å; M645-I656 HydrophobicContact CG-CG1 4.1Å; M645-I656 HydrophobicContact CG-CG2 4.15Å; M645-I656 HydrophobicContact SD-CD1 4.31Å; M645-I656 HydrophobicContact SD-CG1 4.47Å; F654-I656 HydrophobicContact CE1-CD1 3.86Å; F654-I656 HydrophobicContact CE1-CG1 3.7Å; F654-I656 HydrophobicContact CE2-CG1 4.25Å; F654-I656 HydrophobicContact CZ-CD1 3.75Å; F654-I656 HydrophobicContact CZ-CG1 3.4Å; F654-I656 VanDerWaalsContact CZ-CG1 3.4Å; I656-V659 HydrophobicContact CB-CG2 4.06Å; I656-V659 HydrophobicContact CG2-CG2 4.09Å; I656-D663 HydrophobicContact CD1-CB 4.19Å; I656-Y667 HydrophobicContact CD1-CE1 4.27Å; I656-Y667 WeakPolarHBondContact CD1-OH 3.26Å; I656-L684 HydrophobicContact CD1-CD2 3.79Å
657	T	89.6	Confident	85.2	Confident	47 Å²	47	52.4 Å²	52.4	29%	0.288	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	133.4	176.2	64.2	0	0	0	0	111.1	M612 R644 F655	M612-T657 HydrophobicContact CE-CG2 4.23Å; R644-T657 WeakPolarHBondContact CA-OG1 3.27Å; R644-T657 WeakPolarHBondContact CB-O 3.48Å; R644-T657 WeakPolarHBondContact CD-O 3.31Å; R644-T657 PolarHBondContact O-N 3.21Å; R644-T657 PolarHBondContact O-OG1 2.89Å; F655-T657 HydrophobicContact CD2-CG2 3.88Å; F655-T657 HydrophobicContact CE2-CG2 3.8Å
658	G	89	Confident	85.7	Confident	34 Å²	34	50.7 Å²	50.7	35%	0.351	28%	0.276	S	S	.	.	S	Bend	trans	64.5	58.7	179.5	0	0	0	0	0	111.1	A611 R644	A611-G658 WeakPolarHBondContact O-CA 3.43Å; A611-G658 PolarHBondContact O-N 2.96Å; R644-G658 PolarHBondContact NH1-O 3Å
659	V	91.9	Very high	86.4	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.012	26%	0.257	C	S	.	.			trans	-59.4	137.8	-176.2	175.9	0	0	0	0	111.3	I607 A609 G610 A611 A613 I656 D663 V686	I607-V659 HydrophobicContact CG2-CB 4.45Å; I607-V659 HydrophobicContact CG2-CG1 3.98Å; I607-V659 HydrophobicContact CG2-CG2 4.44Å; A609-V659 CarbonylContact C-O 3.35Å; A609-V659 VanDerWaalsContact CA-O 3.27Å; A609-V659 WeakPolarHBondContact CA-O 3.25Å; G610-V659 PolarHBondContact N-O 3.22Å; A611-V659 WeakPolarHBondContact O-CG2 3.47Å; A611-V659 PolarHBondContact O-N 3.2Å; A613-V659 HydrophobicContact CB-CG2 3.58Å; I656-V659 HydrophobicContact CB-CG2 4.06Å; I656-V659 HydrophobicContact CG2-CG2 4.09Å; V659-D663 WeakPolarHBondContact CA-OD2 3.27Å; V659-D663 HydrophobicContact CG1-CB 4.29Å; V659-V686 HydrophobicContact CG1-CB 4.34Å; V659-V686 HydrophobicContact CG1-CG1 3.94Å; V659-V686 HydrophobicContact CG1-CG2 3.4Å; V659-V686 VanDerWaalsContact CG1-CG2 3.4Å
660	K	89.6	Confident	87.7	Confident	71 Å²	71	43.4 Å²	43.4	31%	0.309	23%	0.234	S	C	.	.			trans	-121.2	165.4	-178.8	-58.2	167.5	-175.8	164.1	0	110.4	E642 E662 D663	E642-K660 IonicContact OE1-NZ 3.9Å; E642-K660 PolarHBondContact OE1-NZ 3.13Å; E642-K660 VanDerWaalsContact OE1-NZ 3.11Å; K660-E662 HydrophobicContact CB-CG 3.78Å; K660-E662 HydrophobicContact CD-CG 3.67Å; K660-E662 WeakPolarHBondContact CD-OE1 3.41Å; K660-E662 WeakPolarHBondContact CE-OE1 3.36Å; K660-E662 HydrophobicContact CG-CG 4.45Å; K660-E662 IonicContact NZ-OE1 2.74Å; K660-E662 PolarHBondContact NZ-OE1 2.7Å; K660-E662 PolarHBondContact O-N 3.26Å; K660-D663 PolarHBondContact N-OD2 3.32Å; K660-D663 WeakPolarHBondContact O-CB 3.31Å; K660-D663 PolarHBondContact O-N 2.8Å
661	T	85.3	Confident	88.8	Confident	66 Å²	66	34.2 Å²	34.2	41%	0.405	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-63.1	-22.2	172.5	33.8	0	0	0	0	114.3	D663 I664 V686 E688	T661-D663 VanDerWaalsContact C-N 3.31Å; T661-I664 HydrophobicContact CG2-CD1 4.41Å; T661-I664 WeakPolarHBondContact O-CB 3.32Å; T661-I664 WeakPolarHBondContact O-CD1 3.41Å; T661-I664 VanDerWaalsContact O-CG1 3.31Å; T661-I664 WeakPolarHBondContact O-CG1 3.31Å; T661-I664 PolarHBondContact O-N 2.52Å; T661-V686 HydrophobicContact CG2-CG1 4.43Å; T661-E688 HydrophobicContact CG2-CG 4.06Å; T661-E688 VanDerWaalsContact CG2-OE1 3.25Å; T661-E688 WeakPolarHBondContact CG2-OE1 3.03Å; T661-E688 PolarHBondContact OG1-OE1 3.33Å
662	E	87.2	Confident	90	Very high	125 Å²	125	35.1 Å²	35.1	58%	0.584	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-74.2	-15.1	171.2	61.9	-172.1	-157.8	0	0	114.3	K660 I664	K660-E662 HydrophobicContact CB-CG 3.78Å; K660-E662 HydrophobicContact CD-CG 3.67Å; K660-E662 WeakPolarHBondContact CD-OE1 3.41Å; K660-E662 WeakPolarHBondContact CE-OE1 3.36Å; K660-E662 HydrophobicContact CG-CG 4.45Å; K660-E662 IonicContact NZ-OE1 2.74Å; K660-E662 PolarHBondContact NZ-OE1 2.7Å; K660-E662 PolarHBondContact O-N 3.26Å; E662-I664 VanDerWaalsContact C-N 3.27Å; E662-I664 PolarHBondContact O-N 2.99Å
663	D	89.6	Confident	90.6	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-79.5	-9.2	174.8	-58.3	-42.4	0	0	0	112.6	K631 R644 M645 I656 V659 K660 T661 G665 Y667 L684	K631-D663 VanDerWaalsContact CE-O 3.31Å; K631-D663 WeakPolarHBondContact CE-O 3.36Å; R644-D663 IonicContact CZ-OD1 3.28Å; R644-D663 IonicContact CZ-OD2 2.72Å; R644-D663 IonicContact NH1-OD1 3.49Å; R644-D663 PolarHBondContact NH1-OD1 2.9Å; R644-D663 IonicContact NH1-OD2 3.08Å; R644-D663 PolarHBondContact NH1-OD2 3.31Å; R644-D663 IonicContact NH2-OD1 3.32Å; R644-D663 PolarHBondContact NH2-OD1 3.39Å; R644-D663 IonicContact NH2-OD2 2.75Å; R644-D663 PolarHBondContact NH2-OD2 2.83Å; M645-D663 WeakPolarHBondContact CE-OD1 3.25Å; I656-D663 HydrophobicContact CD1-CB 4.19Å; V659-D663 WeakPolarHBondContact CA-OD2 3.27Å; V659-D663 HydrophobicContact CG1-CB 4.29Å; K660-D663 PolarHBondContact N-OD2 3.32Å; K660-D663 WeakPolarHBondContact O-CB 3.31Å; K660-D663 PolarHBondContact O-N 2.8Å; T661-D663 VanDerWaalsContact C-N 3.31Å; D663-G665 PolarHBondContact O-N 3.17Å; D663-Y667 WeakPolarHBondContact O-CE2 3.25Å; D663-Y667 PolarHBondContact O-OH 2.92Å; D663-Y667 VanDerWaalsContact O-OH 3.11Å; D663-L684 HydrophobicContact CB-CD2 4.17Å
664	I	91.6	Very high	91	Very high	73 Å²	73	38.3 Å²	38.3	37%	0.374	21%	0.214	S	C	.	.			trans	-58.5	133.4	177.2	-66.2	173.8	0	0	0	109.8	K631 T661 E662 L684 V686	K631-I664 PolarHBondContact NZ-O 3.14Å; T661-I664 HydrophobicContact CG2-CD1 4.41Å; T661-I664 WeakPolarHBondContact O-CB 3.32Å; T661-I664 WeakPolarHBondContact O-CD1 3.41Å; T661-I664 VanDerWaalsContact O-CG1 3.31Å; T661-I664 WeakPolarHBondContact O-CG1 3.31Å; T661-I664 PolarHBondContact O-N 2.52Å; E662-I664 VanDerWaalsContact C-N 3.27Å; E662-I664 PolarHBondContact O-N 2.99Å; I664-L684 WeakPolarHBondContact CA-O 3.48Å; I664-V686 HydrophobicContact CD1-CB 4.02Å; I664-V686 HydrophobicContact CD1-CG2 4.48Å; I664-V686 HydrophobicContact CG1-CB 3.75Å; I664-V686 HydrophobicContact CG1-CG2 3.66Å
665	G	91.4	Very high	91.2	Very high	9 Å²	9	39.6 Å²	39.6	9%	0.093	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	-179.3	178.4	0	0	0	0	0	113.5	D632 D663 L684	D632-G665 WeakPolarHBondContact OD1-CA 3.42Å; D663-G665 PolarHBondContact O-N 3.17Å; G665-L684 PolarHBondContact N-O 2.85Å; G665-L684 PolarHBondContact O-N 3.29Å
666	V	94.4	Very high	91.3	Very high	54 Å²	54	38.7 Å²	38.7	33%	0.327	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.8	171.7	-178.8	0	0	0	0	109	K631 D632 N681 A682	K631-V666 CarbonylContact C-O 3.45Å; K631-V666 WeakPolarHBondContact CA-O 3.48Å; D632-V666 PolarHBondContact N-O 2.8Å; D632-V666 PolarHBondContact OD1-N 3.19Å; V666-N681 HydrophobicContact CG1-CB 4.01Å; V666-A682 CarbonylContact C-O 3.43Å; V666-A682 WeakPolarHBondContact CA-O 3.49Å
667	Y	93.1	Very high	91.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.4	175.6	-73.4	-97.7	0	0	0	109.1	L615 Q630 K631 F637 F654 I656 D663 N681 A682 L684	L615-Y667 HydrophobicContact CD1-CD2 4.39Å; L615-Y667 HydrophobicContact CD1-CG 3.94Å; Q630-Y667 WeakPolarHBondContact O-CA 3.28Å; K631-Y667 HydrophobicContact CB-CE1 4.28Å; K631-Y667 HydrophobicContact CD-CE1 4.09Å; K631-Y667 HydrophobicContact CD-CE2 4.21Å; K631-Y667 WeakPolarHBondContact CD-OH 3.44Å; K631-Y667 WeakPolarHBondContact CE-OH 3.41Å; K631-Y667 HydrophobicContact CG-CE1 4.1Å; K631-Y667 HydrophobicContact CG-CE2 4.19Å; F637-Y667 HydrophobicContact CE2-CD1 4.03Å; F637-Y667 HydrophobicContact CE2-CE1 4.11Å; F637-Y667 HydrophobicContact CZ-CD1 4.23Å; F637-Y667 HydrophobicContact CZ-CE1 4.24Å; F654-Y667 HydrophobicContact CD1-CD1 4.22Å; F654-Y667 HydrophobicContact CD1-CE1 4.47Å; F654-Y667 AromaticContact CE1-CD1 3.56Å; F654-Y667 HydrophobicContact CE1-CD1 3.56Å; F654-Y667 AromaticContact CE1-CE1 3.41Å; F654-Y667 HydrophobicContact CE1-CE1 3.41Å; F654-Y667 VanDerWaalsContact CE1-CE1 3.41Å; F654-Y667 HydrophobicContact CZ-CD1 4.24Å; F654-Y667 AromaticContact CZ-CE1 3.75Å; F654-Y667 HydrophobicContact CZ-CE1 3.75Å; I656-Y667 HydrophobicContact CD1-CE1 4.27Å; I656-Y667 WeakPolarHBondContact CD1-OH 3.26Å; D663-Y667 WeakPolarHBondContact O-CE2 3.25Å; D663-Y667 PolarHBondContact O-OH 2.92Å; D663-Y667 VanDerWaalsContact O-OH 3.11Å; Y667-N681 WeakPolarHBondContact O-CA 3.36Å; Y667-A682 PolarHBondContact N-O 3.46Å; Y667-A682 PolarHBondContact O-N 2.95Å; Y667-L684 HydrophobicContact CD2-CB 3.89Å; Y667-L684 HydrophobicContact CE2-CB 3.74Å; Y667-L684 HydrophobicContact CE2-CD2 3.9Å; Y667-L684 HydrophobicContact CE2-CG 4.46Å
668	S	92.6	Very high	91.7	Very high	15 Å²	15	42.4 Å²	42.4	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.7	177.2	-65.6	0	0	0	0	109.6	W629 Q630 A680 N681	W629-S668 CarbonylContact C-O 3.43Å; W629-S668 WeakPolarHBondContact CA-O 3.44Å; Q630-S668 PolarHBondContact N-O 2.76Å; Q630-S668 PolarHBondContact O-N 2.97Å; S668-A680 WeakPolarHBondContact CA-O 3.32Å; S668-N681 VanDerWaalsContact CB-OD1 3.3Å; S668-N681 WeakPolarHBondContact CB-OD1 3.36Å; S668-N681 PolarHBondContact OG-OD1 2.88Å
669	C	92.4	Very high	91.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.7	165.8	179.4	0	0	0	0	109.5	P602 C617 A628 W629 S679 A680	P602-C669 HydrophobicContact CG-CB 4.15Å; C617-C669 HydrophobicContact CB-CB 3.68Å; C617-C669 WeakPolarHBondContact CB-SG 3.11Å; C617-C669 WeakPolarHBondContact SG-CB 3.45Å; C617-C669 CovalentContact SG-SG 2.02Å; C617-C669 PolarHBondContact SG-SG 2.87Å; A628-C669 WeakPolarHBondContact O-CA 3.45Å; W629-C669 HydrophobicContact CD2-CB 4.19Å; W629-C669 HydrophobicContact CE3-CB 3.96Å; W629-C669 HydrophobicContact CH2-CB 4.09Å; W629-C669 HydrophobicContact CZ2-CB 4.28Å; W629-C669 HydrophobicContact CZ3-CB 3.91Å; C669-S679 CarbonylContact O-C 3.47Å; C669-S679 VanDerWaalsContact O-CA 3.24Å; C669-S679 WeakPolarHBondContact O-CA 3.45Å; C669-A680 PolarHBondContact N-O 3.42Å; C669-A680 PolarHBondContact O-N 3.48Å
670	T	92.9	Very high	92.1	Very high	28 Å²	28	45.4 Å²	45.4	17%	0.172	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.6	171.2	58.6	0	0	0	0	109.9	I627 A628 I678	I627-T670 WeakPolarHBondContact CA-O 3.43Å; A628-T670 PolarHBondContact N-O 3.31Å; A628-T670 PolarHBondContact O-N 2.84Å; A628-T670 PolarHBondContact O-OG1 3.03Å; T670-I678 WeakPolarHBondContact CA-O 3.14Å
671	A	93.6	Very high	92.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.8	175.6	0	0	0	0	0	109.5	P596 F598 A619 P625 Q626 I627 V677 I678	P596-A671 HydrophobicContact CB-CB 4.33Å; F598-A671 HydrophobicContact CE1-CB 3.91Å; F598-A671 HydrophobicContact CZ-CB 4.48Å; A619-A671 HydrophobicContact CB-CB 3.55Å; P625-A671 HydrophobicContact CB-CB 4.29Å; Q626-A671 WeakPolarHBondContact O-CA 3.45Å; I627-A671 HydrophobicContact CD1-CB 3.61Å; A671-V677 WeakPolarHBondContact O-CA 3.39Å; A671-I678 HydrophobicContact CB-CD1 4.27Å; A671-I678 HydrophobicContact CB-CG1 3.81Å; A671-I678 PolarHBondContact N-O 3.36Å; A671-I678 PolarHBondContact O-N 3.46Å
672	Q	94	Very high	92.8	Very high	111 Å²	111	43.6 Å²	43.6	52%	0.519	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.1	-169.9	172.1	162.2	23.4	0	0	112.6	P625 Q626 V677	P625-Q672 CarbonylContact C-O 3.54Å; P625-Q672 VanDerWaalsContact CA-O 3.27Å; P625-Q672 WeakPolarHBondContact CA-O 3.16Å; Q626-Q672 PolarHBondContact N-O 3.5Å; Q626-Q672 PolarHBondContact O-N 3.37Å; Q672-V677 HydrophobicContact CB-CG1 4.34Å; Q672-V677 HydrophobicContact CB-CG2 4.04Å; Q672-V677 HydrophobicContact CG-CG2 3.78Å
673	N	93.8	Very high	93.2	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.091	24%	0.243	C	C	.	.			trans	-135.6	-171	162.7	71.8	10	0	0	0	110.5	I594 P596 P623 P625 A675 G676	I594-N673 PolarHBondContact O-ND2 3.39Å; P596-N673 WeakPolarHBondContact CD-OD1 3.38Å; P596-N673 HydrophobicContact CG-CB 4.43Å; P623-N673 VanDerWaalsContact O-CB 3.3Å; P623-N673 WeakPolarHBondContact O-CB 3.46Å; P623-N673 PolarHBondContact O-ND2 2.93Å; P625-N673 HydrophobicContact CB-CB 4.48Å; N673-A675 PolarHBondContact O-N 3.1Å; N673-A675 WeakPolarHBondContact OD1-CA 3.47Å; N673-A675 VanDerWaalsContact OD1-CB 3.26Å; N673-A675 WeakPolarHBondContact OD1-CB 3.16Å; N673-A675 PolarHBondContact OD1-N 3.27Å; N673-G676 PolarHBondContact N-O 3.49Å; N673-G676 PolarHBondContact O-N 3.16Å; N673-G676 VanDerWaalsContact O-O 3.13Å; N673-G676 PolarHBondContact OD1-N 2.94Å
674	T	92.1	Very high	93.4	Very high	108 Å²	108	40.2 Å²	40.2	66%	0.663	24%	0.243	S	C	*	.	S	Bend	trans	-74.2	-3.7	179.2	53.7	0	0	0	0	114.7	P623	P623-T674 VanDerWaalsContact CD-OG1 3.27Å; P623-T674 WeakPolarHBondContact CD-OG1 3.15Å; P623-T674 WeakPolarHBondContact CG-OG1 3.45Å
675	A	89.5	Confident	93.4	Very high	28 Å²	28	39 Å²	39	23%	0.231	24%	0.239	C	C	.	.	S	Bend	trans	-95.5	-27.4	173.4	0	0	0	0	0	113.1	L499 N593 L595 N673	L499-A675 HydrophobicContact CD2-CB 3.73Å; N593-A675 HydrophobicContact CB-CB 3.83Å; L595-A675 HydrophobicContact CD2-CB 4.2Å; L595-A675 VanDerWaalsContact CD2-O 3.26Å; L595-A675 WeakPolarHBondContact CD2-O 3.49Å; L595-A675 HydrophobicContact CG-CB 4.45Å; N673-A675 PolarHBondContact O-N 3.1Å; N673-A675 WeakPolarHBondContact OD1-CA 3.47Å; N673-A675 VanDerWaalsContact OD1-CB 3.26Å; N673-A675 WeakPolarHBondContact OD1-CB 3.16Å; N673-A675 PolarHBondContact OD1-N 3.27Å
676	G	91.7	Very high	93.5	Very high	20 Å²	20	38.7 Å²	38.7	21%	0.206	24%	0.235	C	C	.	.			trans	170.3	-170.3	179.2	0	0	0	0	0	114.2	P596 N673	P596-G676 WeakPolarHBondContact CG-O 3.43Å; N673-G676 PolarHBondContact N-O 3.49Å; N673-G676 PolarHBondContact O-N 3.16Å; N673-G676 VanDerWaalsContact O-O 3.13Å; N673-G676 PolarHBondContact OD1-N 2.94Å
677	V	94.6	Very high	93.3	Very high	82 Å²	82	38 Å²	38	50%	0.497	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.4	-179.3	-172.4	0	0	0	0	108.9	A671 Q672	A671-V677 WeakPolarHBondContact O-CA 3.39Å; Q672-V677 HydrophobicContact CB-CG1 4.34Å; Q672-V677 HydrophobicContact CB-CG2 4.04Å; Q672-V677 HydrophobicContact CG-CG2 3.78Å
678	I	95.1	Very high	93.1	Very high	44 Å²	44	39.7 Å²	39.7	23%	0.226	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.7	167.6	65.5	178	0	0	0	109.8	P596 F598 T670 A671	P596-I678 HydrophobicContact CB-CD1 3.92Å; P596-I678 HydrophobicContact CB-CG1 3.92Å; P596-I678 HydrophobicContact CB-CG2 4.44Å; F598-I678 HydrophobicContact CB-CD1 4.4Å; F598-I678 HydrophobicContact CD1-CD1 3.87Å; F598-I678 HydrophobicContact CD1-CG1 4.48Å; F598-I678 HydrophobicContact CD2-CD1 3.47Å; F598-I678 VanDerWaalsContact CD2-CD1 3.47Å; F598-I678 HydrophobicContact CD2-CG1 4.11Å; F598-I678 HydrophobicContact CE1-CD1 3.94Å; F598-I678 HydrophobicContact CE1-CG1 4.05Å; F598-I678 HydrophobicContact CE2-CB 4.08Å; F598-I678 HydrophobicContact CE2-CD1 3.55Å; F598-I678 HydrophobicContact CE2-CG1 3.63Å; F598-I678 HydrophobicContact CG-CD1 3.62Å; F598-I678 HydrophobicContact CZ-CB 4.38Å; F598-I678 HydrophobicContact CZ-CD1 3.8Å; F598-I678 HydrophobicContact CZ-CG1 3.61Å; T670-I678 WeakPolarHBondContact CA-O 3.14Å; A671-I678 HydrophobicContact CB-CD1 4.27Å; A671-I678 HydrophobicContact CB-CG1 3.81Å; A671-I678 PolarHBondContact N-O 3.36Å; A671-I678 PolarHBondContact O-N 3.46Å
679	S	94.5	Very high	92.8	Very high	84 Å²	84	40.8 Å²	40.8	59%	0.587	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.7	149.5	177.4	61	0	0	0	0	112.5	C669	C669-S679 CarbonylContact O-C 3.47Å; C669-S679 VanDerWaalsContact O-CA 3.24Å; C669-S679 WeakPolarHBondContact O-CA 3.45Å
680	A	94.6	Very high	92.6	Very high	15 Å²	15	41.1 Å²	41.1	12%	0.124	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	147	176.2	0	0	0	0	0	110.2	F598 M601 P602 S668 C669	F598-A680 HydrophobicContact CD2-CB 4.17Å; F598-A680 HydrophobicContact CE2-CB 3.52Å; F598-A680 HydrophobicContact CZ-CB 3.76Å; M601-A680 HydrophobicContact CB-CB 4.4Å; M601-A680 HydrophobicContact CG-CB 4.22Å; P602-A680 HydrophobicContact CG-CB 4.13Å; S668-A680 WeakPolarHBondContact CA-O 3.32Å; C669-A680 PolarHBondContact N-O 3.42Å; C669-A680 PolarHBondContact O-N 3.48Å
681	N	94.9	Very high	92.3	Very high	99 Å²	99	44.3 Å²	44.3	53%	0.529	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.1	-171.5	-64.4	-14.3	0	0	0	111.4	V666 Y667 S668	V666-N681 HydrophobicContact CG1-CB 4.01Å; Y667-N681 WeakPolarHBondContact O-CA 3.36Å; S668-N681 VanDerWaalsContact CB-OD1 3.3Å; S668-N681 WeakPolarHBondContact CB-OD1 3.36Å; S668-N681 PolarHBondContact OG-OD1 2.88Å
682	A	94.8	Very high	92	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.2	168.7	0	0	0	0	0	111.7	P602 M603 L615 V666 Y667	P602-A682 HydrophobicContact CB-CB 3.71Å; P602-A682 HydrophobicContact CG-CB 4.29Å; M603-A682 VanDerWaalsContact C-CB 3.45Å; M603-A682 WeakPolarHBondContact O-CB 3.46Å; L615-A682 HydrophobicContact CD2-CB 4.42Å; V666-A682 CarbonylContact C-O 3.43Å; V666-A682 WeakPolarHBondContact CA-O 3.49Å; Y667-A682 PolarHBondContact N-O 3.46Å; Y667-A682 PolarHBondContact O-N 2.95Å
683	T	95.3	Very high	91.6	Very high	55 Å²	55	46 Å²	46	34%	0.337	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	122.7	-179.7	-39.8	0	0	0	0	110	D604 L605 T685	D604-T683 WeakPolarHBondContact CA-O 3.21Å; D604-T683 WeakPolarHBondContact OD1-CA 3.3Å; D604-T683 WeakPolarHBondContact OD1-CB 3.35Å; D604-T683 PolarHBondContact OD1-N 2.81Å; D604-T683 PolarHBondContact OD1-OG1 3.23Å; L605-T683 PolarHBondContact N-O 3.44Å; T683-T685 HydrophobicContact CG2-CG2 4.15Å
684	L	94.3	Very high	91	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	122.3	169.3	-178.7	58.9	0	0	0	109.5	L605 I607 A613 I656 D663 I664 G665 Y667 V686	L605-L684 HydrophobicContact CB-CD1 4.07Å; L605-L684 HydrophobicContact CD2-CD1 4.04Å; L605-L684 HydrophobicContact CG-CD1 4.03Å; I607-L684 HydrophobicContact CG2-CD1 4.01Å; A613-L684 HydrophobicContact CB-CD1 4Å; A613-L684 HydrophobicContact CB-CD2 4.21Å; I656-L684 HydrophobicContact CD1-CD2 3.79Å; D663-L684 HydrophobicContact CB-CD2 4.17Å; I664-L684 WeakPolarHBondContact CA-O 3.48Å; G665-L684 PolarHBondContact N-O 2.85Å; G665-L684 PolarHBondContact O-N 3.29Å; Y667-L684 HydrophobicContact CD2-CB 3.89Å; Y667-L684 HydrophobicContact CE2-CB 3.74Å; Y667-L684 HydrophobicContact CE2-CD2 3.9Å; Y667-L684 HydrophobicContact CE2-CG 4.46Å; L684-V686 HydrophobicContact CG-CG2 4.35Å
685	T	92.6	Very high	90.5	Very high	49 Å²	49	50 Å²	50	30%	0.301	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	139.2	175.2	60.9	0	0	0	0	110.6	L605 T606 I607 T683	L605-T685 PolarHBondContact O-N 2.96Å; L605-T685 PolarHBondContact O-OG1 3.21Å; T606-T685 WeakPolarHBondContact CA-OG1 3.33Å; T606-T685 PolarHBondContact OG1-OG1 3.04Å; I607-T685 PolarHBondContact N-O 3.14Å; T683-T685 HydrophobicContact CG2-CG2 4.15Å
686	V	92.9	Very high	90.4	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.3	-169.7	-175.2	0	0	0	0	110.9	I607 A609 V659 T661 I664 L684 S716	I607-V686 CarbonylContact O-C 3.31Å; I607-V686 WeakPolarHBondContact O-CA 3.38Å; A609-V686 HydrophobicContact CB-CG1 3.88Å; V659-V686 HydrophobicContact CG1-CB 4.34Å; V659-V686 HydrophobicContact CG1-CG1 3.94Å; V659-V686 HydrophobicContact CG1-CG2 3.4Å; V659-V686 VanDerWaalsContact CG1-CG2 3.4Å; T661-V686 HydrophobicContact CG2-CG1 4.43Å; I664-V686 HydrophobicContact CD1-CB 4.02Å; I664-V686 HydrophobicContact CD1-CG2 4.48Å; I664-V686 HydrophobicContact CG1-CB 3.75Å; I664-V686 HydrophobicContact CG1-CG2 3.66Å; L684-V686 HydrophobicContact CG-CG2 4.35Å; V686-S716 PolarHBondContact O-OG 3.2Å
687	L	90.2	Very high	90.1	Very high	39 Å²	39	52.7 Å²	52.7	20%	0.204	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.5	-176.6	-56	-170.8	0	0	0	110.7	T606 I607 R608 A609 S716 L766	T606-L687 HydrophobicContact CG2-CD1 3.56Å; T606-L687 HydrophobicContact CG2-CD2 4.28Å; T606-L687 HydrophobicContact CG2-CG 3.8Å; I607-L687 PolarHBondContact O-N 3.26Å; R608-L687 CarbonylContact C-O 3.22Å; R608-L687 VanDerWaalsContact CA-O 3.28Å; R608-L687 WeakPolarHBondContact CA-O 3.26Å; A609-L687 PolarHBondContact N-O 2.9Å; L687-S716 CarbonylContact C-O 3.2Å; L687-S716 WeakPolarHBondContact CA-O 2.99Å; L687-S716 WeakPolarHBondContact CB-O 3.27Å; L687-L766 HydrophobicContact CB-CD1 3.53Å; L687-L766 HydrophobicContact CB-CG 4.33Å; L687-L766 HydrophobicContact CD1-CD2 4.46Å
688	E	88.1	Confident	89.9	Confident	36 Å²	36	53 Å²	53	17%	0.168	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	134.7	-179.4	-65	-178.8	154.8	0	0	108.8	A609 T661 Y691 S716 N764	A609-E688 HydrophobicContact CB-CG 3.85Å; T661-E688 HydrophobicContact CG2-CG 4.06Å; T661-E688 VanDerWaalsContact CG2-OE1 3.25Å; T661-E688 WeakPolarHBondContact CG2-OE1 3.03Å; T661-E688 PolarHBondContact OG1-OE1 3.33Å; E688-Y691 HydrophobicContact CB-CE1 4.37Å; E688-Y691 WeakPolarHBondContact OE2-CE1 3.39Å; E688-Y691 PolarHBondContact OE2-OH 3.34Å; E688-S716 PolarHBondContact N-O 3.45Å; E688-S716 PolarHBondContact O-N 3.39Å; E688-S716 VanDerWaalsContact O-O 3.05Å; E688-N764 PolarHBondContact O-ND2 3.44Å
689	T	86.8	Confident	89.6	Confident	38 Å²	38	56.4 Å²	56.4	23%	0.233	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	159.7	167	27.5	0	0	0	0	111.1	R608 Y691 L766	R608-T689 VanDerWaalsContact CZ-CG2 3.49Å; R608-T689 PolarHBondContact NH2-OG1 3Å; T689-Y691 WeakPolarHBondContact O-CD1 3.3Å; T689-L766 HydrophobicContact CG2-CB 3.58Å; T689-L766 WeakPolarHBondContact CG2-O 3.48Å
690	P	88.9	Confident	89.3	Confident	6 Å²	6	56.7 Å²	56.7	4%	0.039	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	139.6	175	-18.3	33.1	0	0	0	110.9	G714 P719 M762 N764 G767 E769	P690-G714 WeakPolarHBondContact CA-O 3.09Å; P690-P719 HydrophobicContact CB-CB 3.91Å; P690-P719 HydrophobicContact CB-CG 4.29Å; P690-P719 HydrophobicContact CG-CB 4.03Å; P690-M762 HydrophobicContact CB-CB 4.1Å; P690-M762 HydrophobicContact CB-CG 3.5Å; P690-M762 HydrophobicContact CB-SD 3.45Å; P690-M762 WeakPolarHBondContact CB-SD 3.32Å; P690-N764 WeakPolarHBondContact CD-OD1 3.43Å; P690-N764 HydrophobicContact CG-CB 4.17Å; P690-G767 WeakPolarHBondContact CG-O 3.11Å; P690-E769 HydrophobicContact CB-CB 4.2Å
691	Y	86.4	Confident	88.9	Confident	95 Å²	95	56.7 Å²	56.7	37%	0.373	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.7	173.4	62.5	-88.7	0	0	0	112.7	E688 T689 L693 A713 G714 M762	E688-Y691 HydrophobicContact CB-CE1 4.37Å; E688-Y691 WeakPolarHBondContact OE2-CE1 3.39Å; E688-Y691 PolarHBondContact OE2-OH 3.34Å; T689-Y691 WeakPolarHBondContact O-CD1 3.3Å; Y691-L693 HydrophobicContact CE2-CD2 3.69Å; Y691-L693 HydrophobicContact CE2-CG 4.02Å; Y691-L693 PolarHBondContact O-N 3.04Å; Y691-A713 WeakPolarHBondContact O-CA 3.36Å; Y691-G714 PolarHBondContact N-O 2.98Å; Y691-G714 PolarHBondContact O-N 3.03Å; Y691-M762 PolarHBondContact N-SD 2.93Å; Y691-M762 VanDerWaalsContact N-SD 3.42Å
692	F	87	Confident	88.3	Confident	49 Å²	49	53.1 Å²	53.1	22%	0.215	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	116.7	174.4	-68.3	-76.4	0	0	0	111.2	R694 L696 M762 E769 G771	F692-R694 PolarHBondContact O-N 3.43Å; F692-L696 HydrophobicContact CD1-CD1 3.46Å; F692-L696 VanDerWaalsContact CD1-CD1 3.46Å; F692-L696 HydrophobicContact CE1-CD1 3.36Å; F692-L696 HydrophobicContact CZ-CD1 4.36Å; F692-M762 HydrophobicContact CD1-CE 3.44Å; F692-M762 VanDerWaalsContact CD1-CE 3.44Å; F692-M762 HydrophobicContact CD2-CE 4.22Å; F692-M762 HydrophobicContact CE1-CE 3.3Å; F692-M762 HydrophobicContact CE2-CE 4.1Å; F692-M762 HydrophobicContact CG-CE 3.89Å; F692-M762 HydrophobicContact CZ-CE 3.61Å; F692-E769 HydrophobicContact CD2-CG 4.15Å; F692-E769 HydrophobicContact CE2-CG 3.77Å; F692-G771 VanDerWaalsContact CZ-CA 3.42Å; F692-G771 VanDerWaalsContact CZ-N 3.28Å
693	L	85.1	Confident	87.7	Confident	97 Å²	97	58 Å²	58	51%	0.508	30%	0.3	S	S	.	.	S	Bend	trans	-72.2	-21	171.2	-79.3	163.6	0	0	0	112.2	Y691 I712	Y691-L693 HydrophobicContact CE2-CD2 3.69Å; Y691-L693 HydrophobicContact CE2-CG 4.02Å; Y691-L693 PolarHBondContact O-N 3.04Å; L693-I712 HydrophobicContact CB-CB 4.47Å; L693-I712 HydrophobicContact CB-CG2 4.02Å; L693-I712 HydrophobicContact CD1-CG2 3.97Å; L693-I712 PolarHBondContact N-O 3.36Å
694	R	81.6	Confident	87	Confident	102 Å²	102	57 Å²	57	39%	0.385	30%	0.299	S	S	.	.	S	Bend	trans	-144.5	140.1	171.3	-61.7	-175.8	-179.5	177.9	-7.3	108.8	F692 S824	F692-R694 PolarHBondContact O-N 3.43Å; R694-S824 PolarHBondContact NH2-OG 2.92Å
695	P	82	Confident	86.5	Confident	107 Å²	107	62 Å²	62	70%	0.695	32%	0.323	S	S	*	.			trans	-63.3	144.8	175.8	27.9	-34.8	0	0	0	110.8
696	L	87.1	Confident	86.1	Confident	31 Å²	31	61.9 Å²	61.9	16%	0.162	32%	0.323	C	S	.	.			trans	-65.2	137.2	171.6	-92.6	61.4	0	0	0	109.5	F692 Q710 C711 C760 H772 V773	F692-L696 HydrophobicContact CD1-CD1 3.46Å; F692-L696 VanDerWaalsContact CD1-CD1 3.46Å; F692-L696 HydrophobicContact CE1-CD1 3.36Å; F692-L696 HydrophobicContact CZ-CD1 4.36Å; L696-Q710 WeakPolarHBondContact CD1-O 3.44Å; L696-C711 HydrophobicContact CD1-CB 4.46Å; L696-C760 HydrophobicContact CD2-CB 4.29Å; L696-H772 WeakPolarHBondContact CB-O 3.16Å; L696-V773 HydrophobicContact CB-CB 4.16Å; L696-V773 HydrophobicContact CD2-CB 4.07Å; L696-V773 HydrophobicContact CD2-CG1 4.15Å; L696-V773 HydrophobicContact CG-CB 4.33Å
697	T	86.3	Confident	85.9	Confident	74 Å²	74	61.9 Å²	61.9	45%	0.454	32%	0.322	S	S	.	.			trans	-122.4	121.1	-175.9	47.3	0	0	0	0	109.9	R699 V773	T697-R699 PolarHBondContact O-N 3.4Å; T697-R699 PolarHBondContact OG1-NH2 3.5Å; T697-V773 WeakPolarHBondContact O-CG2 3.41Å
698	D	89.6	Confident	85.9	Confident	88 Å²	88	62 Å²	62	47%	0.471	33%	0.325	S	S	.	.			trans	-52.1	136.9	177.7	-78.5	5.6	0	0	0	110.4	R774	D698-R774 WeakPolarHBondContact CA-O 3.3Å; D698-R774 HydrophobicContact CB-CB 4.43Å; D698-R774 PolarHBondContact OD1-N 3.46Å; D698-R774 IonicContact OD2-NH1 2.79Å; D698-R774 PolarHBondContact OD2-NH1 3.48Å
699	R	88.9	Confident	86	Confident	117 Å²	117	60.4 Å²	60.4	44%	0.442	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.1	-175.4	-72.4	-70.4	156.6	169.9	-3.8	110.8	T697 L709 R774 L775 A776	T697-R699 PolarHBondContact O-N 3.4Å; T697-R699 PolarHBondContact OG1-NH2 3.5Å; R699-L709 HydrophobicContact CB-CD2 4.12Å; R699-L709 HydrophobicContact CG-CD2 4.07Å; R699-R774 PolarHBondContact N-O 2.87Å; R699-L775 HydrophobicContact CB-CD1 4.13Å; R699-L775 CarbonylContact O-C 3.58Å; R699-L775 WeakPolarHBondContact O-CA 3.46Å; R699-A776 PolarHBondContact O-N 3.4Å
700	T	87.6	Confident	86.1	Confident	90 Å²	90	62.3 Å²	62.3	55%	0.552	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.8	170.5	-55.4	0	0	0	0	107.9	A776 L778	T700-A776 VanDerWaalsContact CA-O 3.32Å; T700-A776 WeakPolarHBondContact CA-O 3.25Å; T700-A776 HydrophobicContact CG2-CB 4.22Å; T700-L778 HydrophobicContact CG2-CD1 3.57Å; T700-L778 HydrophobicContact CG2-CD2 4.22Å; T700-L778 HydrophobicContact CG2-CG 3.57Å
701	V	86.3	Confident	86.1	Confident	15 Å²	15	62 Å²	62	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	155.9	177.3	-61.7	0	0	0	0	109.5	E705 A707 A750 L775 A776 V777 L778	V701-E705 HydrophobicContact CB-CB 4.2Å; V701-A707 HydrophobicContact CG1-CB 3.97Å; V701-A707 HydrophobicContact CG2-CB 4.3Å; V701-A750 HydrophobicContact CG2-CB 3.72Å; V701-L775 HydrophobicContact CG2-CD1 4.08Å; V701-A776 PolarHBondContact N-O 3.07Å; V701-V777 HydrophobicContact CG2-CG2 4.02Å; V701-V777 CarbonylContact O-C 3.41Å; V701-V777 WeakPolarHBondContact O-CA 3.49Å; V701-L778 PolarHBondContact O-N 3.08Å
702	A	82.5	Confident	86.1	Confident	24 Å²	24	58.2 Å²	58.2	20%	0.198	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	154.2	168.7	0	0	0	0	0	111.2	G704 E705	A702-G704 PolarHBondContact O-N 3.23Å; A702-E705 HydrophobicContact CB-CG 4.03Å; A702-E705 PolarHBondContact N-OE2 2.95Å; A702-E705 WeakPolarHBondContact O-CB 3.14Å; A702-E705 PolarHBondContact O-N 3.46Å
703	K	82.6	Confident	86.1	Confident	104 Å²	104	56.3 Å²	56.3	45%	0.452	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	120.8	175.6	-174.8	175.1	-177.1	170.9	0	110.9	A750 E752 V777 L778	K703-A750 CarbonylContact C-O 3.39Å; K703-A750 VanDerWaalsContact CA-O 3.31Å; K703-A750 WeakPolarHBondContact CA-O 3.47Å; K703-E752 WeakPolarHBondContact CD-OE1 3.43Å; K703-E752 WeakPolarHBondContact CE-OE1 3.07Å; K703-E752 IonicContact NZ-OE1 3.94Å; K703-E752 PolarHBondContact NZ-OE1 3.1Å; K703-V777 HydrophobicContact CB-CG1 4.14Å; K703-L778 PolarHBondContact N-O 2.86Å
704	G	79.4	Confident	86.1	Confident	32 Å²	32	52 Å²	52	33%	0.33	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.1	-10.4	-175.1	0	0	0	0	0	115.5	A702 D749 A750	A702-G704 PolarHBondContact O-N 3.23Å; G704-D749 WeakPolarHBondContact CA-OD1 3.28Å; G704-A750 PolarHBondContact N-O 3.42Å
705	E	84.1	Confident	86.3	Confident	106 Å²	106	48 Å²	48	50%	0.495	27%	0.27	S	S	.	.	S	Bend	trans	-77.3	171.8	173.7	-66.7	-172.6	140.8	0	0	112.4	V701 A702 D749 A750	V701-E705 HydrophobicContact CB-CB 4.2Å; A702-E705 HydrophobicContact CB-CG 4.03Å; A702-E705 PolarHBondContact N-OE2 2.95Å; A702-E705 WeakPolarHBondContact O-CB 3.14Å; A702-E705 PolarHBondContact O-N 3.46Å; E705-D749 PolarHBondContact O-N 2.93Å; E705-A750 VanDerWaalsContact O-CB 3.29Å; E705-A750 WeakPolarHBondContact O-CB 3.43Å; E705-A750 PolarHBondContact O-N 3.34Å
706	T	85.9	Confident	86.4	Confident	48 Å²	48	44.4 Å²	44.4	29%	0.294	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-100.3	117.4	174.6	-61.6	0	0	0	0	110.9	I746 V747 V748	T706-I746 HydrophobicContact CG2-CG2 3.52Å; T706-V747 CarbonylContact C-O 3.58Å; T706-V747 VanDerWaalsContact CA-O 3.31Å; T706-V747 WeakPolarHBondContact CA-O 3.48Å; T706-V748 HydrophobicContact CG2-CG1 3.89Å
707	A	87.4	Confident	86.4	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	142.4	171.7	0	0	0	0	0	111.2	V701 I746 V747 L775	V701-A707 HydrophobicContact CG1-CB 3.97Å; V701-A707 HydrophobicContact CG2-CB 4.3Å; A707-I746 CarbonylContact O-C 3.56Å; A707-I746 WeakPolarHBondContact O-CA 2.98Å; A707-V747 HydrophobicContact CB-CB 4.33Å; A707-V747 PolarHBondContact N-O 3.11Å; A707-V747 PolarHBondContact O-N 2.71Å; A707-L775 HydrophobicContact CB-CD1 3.64Å; A707-L775 HydrophobicContact CB-CD2 3.9Å; A707-L775 HydrophobicContact CB-CG 4.46Å
708	V	89.8	Confident	86.4	Confident	43 Å²	43	47.4 Å²	47.4	26%	0.261	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	111	172.8	-176.8	0	0	0	0	109.2	Q710 L744 I746	V708-Q710 HydrophobicContact CG1-CG 4.24Å; V708-L744 HydrophobicContact CG1-CD2 4.34Å; V708-I746 HydrophobicContact CG1-CG1 4.28Å; V708-I746 HydrophobicContact CG2-CG1 4.25Å; V708-I746 HydrophobicContact CG2-CG2 4.35Å
709	L	89.9	Confident	86.3	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.6	175.8	-54.6	178.9	0	0	0	108.7	R699 W723 L745 Y758 V773	R699-L709 HydrophobicContact CB-CD2 4.12Å; R699-L709 HydrophobicContact CG-CD2 4.07Å; L709-W723 HydrophobicContact CB-CH2 3.78Å; L709-W723 HydrophobicContact CB-CZ3 4.1Å; L709-W723 HydrophobicContact CD1-CZ3 4.43Å; L709-L745 HydrophobicContact CB-CB 4.34Å; L709-L745 HydrophobicContact CD1-CD2 4.36Å; L709-L745 PolarHBondContact N-O 3.14Å; L709-L745 PolarHBondContact O-N 3.17Å; L709-Y758 HydrophobicContact CD1-CD1 3.84Å; L709-Y758 HydrophobicContact CD1-CD2 3.6Å; L709-Y758 HydrophobicContact CD1-CE1 4.29Å; L709-Y758 HydrophobicContact CD1-CE2 4.08Å; L709-Y758 HydrophobicContact CD1-CG 3.46Å; L709-Y758 VanDerWaalsContact CD1-CG 3.46Å; L709-V773 HydrophobicContact CB-CG1 4.37Å; L709-V773 HydrophobicContact CD1-CG1 4.05Å; L709-V773 HydrophobicContact CD2-CG1 4.02Å; L709-V773 HydrophobicContact CD2-CG2 4.06Å; L709-V773 HydrophobicContact CG-CG1 4.38Å
710	Q	89.2	Confident	86.3	Confident	78 Å²	78	48.3 Å²	48.3	36%	0.364	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.9	-172.6	-54.9	-167.1	-8.7	0	0	111	L696 V708 L744	L696-Q710 WeakPolarHBondContact CD1-O 3.44Å; V708-Q710 HydrophobicContact CG1-CG 4.24Å; Q710-L744 HydrophobicContact CB-CD2 4.16Å; Q710-L744 HydrophobicContact CG-CD2 3.71Å
711	C	88.6	Confident	86.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.			trans	-126	71.3	174.9	-177.5	0	0	0	0	108.9	L696 A713 L721 W723 Q743 C760	L696-C711 HydrophobicContact CD1-CB 4.46Å; C711-A713 PolarHBondContact O-N 3.02Å; C711-L721 HydrophobicContact CB-CD2 4.1Å; C711-L721 VanDerWaalsContact O-CD2 3.31Å; C711-L721 WeakPolarHBondContact O-CD2 3.49Å; C711-W723 HydrophobicContact CB-CH2 3.75Å; C711-W723 HydrophobicContact CB-CZ2 3.36Å; C711-Q743 CarbonylContact C-O 3.58Å; C711-Q743 PolarHBondContact N-O 2.97Å; C711-Q743 WeakPolarHBondContact O-CA 3.17Å; C711-Q743 VanDerWaalsContact O-CB 3.27Å; C711-Q743 WeakPolarHBondContact O-CB 3.11Å; C711-Q743 WeakPolarHBondContact O-CG 3.43Å; C711-C760 HydrophobicContact CB-CB 3.62Å; C711-C760 WeakPolarHBondContact CB-SG 3.26Å; C711-C760 WeakPolarHBondContact SG-CB 3.28Å; C711-C760 CovalentContact SG-SG 2.03Å; C711-C760 PolarHBondContact SG-SG 2.84Å
712	I	87.8	Confident	86.7	Confident	15 Å²	15	48.3 Å²	48.3	8%	0.077	27%	0.266	C	S	.	.			trans	-79.1	115.3	-178.5	-54	-178.2	0	0	0	108.4	L693	L693-I712 HydrophobicContact CB-CB 4.47Å; L693-I712 HydrophobicContact CB-CG2 4.02Å; L693-I712 HydrophobicContact CD1-CG2 3.97Å; L693-I712 PolarHBondContact N-O 3.36Å
713	A	86.5	Confident	87.1	Confident	9 Å²	9	47.4 Å²	47.4	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.2	-168	0	0	0	0	0	112.4	Y691 C711 P719 L721 M762	Y691-A713 WeakPolarHBondContact O-CA 3.36Å; C711-A713 PolarHBondContact O-N 3.02Å; A713-P719 HydrophobicContact CB-CG 3.76Å; A713-L721 HydrophobicContact CB-CD1 3.85Å; A713-L721 HydrophobicContact CB-CD2 4.34Å; A713-M762 HydrophobicContact CB-CB 4.5Å; A713-M762 HydrophobicContact CB-CE 3.52Å; A713-M762 HydrophobicContact CB-SD 3.7Å
714	G	84.9	Confident	87.5	Confident	7 Å²	7	43.6 Å²	43.6	7%	0.072	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	167.5	165.7	0	0	0	0	0	111.5	P690 Y691	P690-G714 WeakPolarHBondContact CA-O 3.09Å; Y691-G714 PolarHBondContact N-O 2.98Å; Y691-G714 PolarHBondContact O-N 3.03Å
715	G	85.1	Confident	88.1	Confident	16 Å²	16	43.7 Å²	43.7	17%	0.165	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.9	153.6	179.4	0	0	0	0	0	113	P717	G715-P717 CarbonylContact C-O 3.53Å; G715-P717 CarbonylContact O-C 3.59Å
716	S	85.3	Confident	88.3	Confident	32 Å²	32	42.4 Å²	42.4	22%	0.224	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	112.9	-179.2	173.9	0	0	0	0	109.1	V686 L687 E688	V686-S716 PolarHBondContact O-OG 3.2Å; L687-S716 CarbonylContact C-O 3.2Å; L687-S716 WeakPolarHBondContact CA-O 2.99Å; L687-S716 WeakPolarHBondContact CB-O 3.27Å; E688-S716 PolarHBondContact N-O 3.45Å; E688-S716 PolarHBondContact O-N 3.39Å; E688-S716 VanDerWaalsContact O-O 3.05Å
717	P	86.2	Confident	88.2	Confident	57 Å²	57	45 Å²	45	37%	0.37	24%	0.243	S	C	.	.	S	Bend	cis	-65.2	160.3	-1.4	-17.9	33.2	0	0	0	112.6	G715 N764	G715-P717 CarbonylContact C-O 3.53Å; G715-P717 CarbonylContact O-C 3.59Å; P717-N764 WeakPolarHBondContact O-CB 3.18Å; P717-N764 PolarHBondContact O-ND2 2.8Å
718	P	85.9	Confident	88.1	Confident	112 Å²	112	48.2 Å²	48.2	73%	0.727	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-53.5	130.9	179.8	-28.2	35.9	0	0	0	112.6
719	P	88.6	Confident	87.9	Confident	18 Å²	18	51.4 Å²	51.4	12%	0.117	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-75.8	149.7	-174.5	30.1	-35.6	0	0	0	113.4	P690 A713 L721 M762 S763 N764	P690-P719 HydrophobicContact CB-CB 3.91Å; P690-P719 HydrophobicContact CB-CG 4.29Å; P690-P719 HydrophobicContact CG-CB 4.03Å; A713-P719 HydrophobicContact CB-CG 3.76Å; P719-L721 HydrophobicContact CB-CD1 4.41Å; P719-L721 HydrophobicContact CG-CD1 4.23Å; P719-L721 WeakPolarHBondContact O-CD1 3.27Å; P719-M762 HydrophobicContact CB-CB 4.21Å; P719-S763 CarbonylContact C-O 3.16Å; P719-S763 VanDerWaalsContact CA-O 3.23Å; P719-S763 WeakPolarHBondContact CA-O 3.4Å; P719-S763 WeakPolarHBondContact CB-O 3.37Å; P719-N764 HydrophobicContact CB-CB 4.3Å
720	R	89.6	Confident	87.8	Confident	206 Å²	206	52.4 Å²	52.4	78%	0.777	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	131.7	168.4	-60.8	-178.2	-179.5	-168.8	0	109.5	M762 S763	R720-M762 WeakPolarHBondContact O-CA 3.49Å; R720-S763 PolarHBondContact N-O 2.03Å; R720-S763 PolarHBondContact O-N 3.26Å; R720-S763 PolarHBondContact O-OG 2.6Å
721	L	91.1	Very high	87.6	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.058	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.7	-177.7	-81.4	69.8	0	0	0	112.2	C711 A713 P719 N742 Q743 E761 M762	C711-L721 HydrophobicContact CB-CD2 4.1Å; C711-L721 VanDerWaalsContact O-CD2 3.31Å; C711-L721 WeakPolarHBondContact O-CD2 3.49Å; A713-L721 HydrophobicContact CB-CD1 3.85Å; A713-L721 HydrophobicContact CB-CD2 4.34Å; P719-L721 HydrophobicContact CB-CD1 4.41Å; P719-L721 HydrophobicContact CG-CD1 4.23Å; P719-L721 WeakPolarHBondContact O-CD1 3.27Å; L721-N742 HydrophobicContact CB-CB 3.9Å; L721-N742 PolarHBondContact O-ND2 2.72Å; L721-N742 VanDerWaalsContact O-ND2 3.1Å; L721-Q743 HydrophobicContact CD1-CG 4.48Å; L721-Q743 HydrophobicContact CD2-CB 4.16Å; L721-Q743 HydrophobicContact CD2-CG 3.65Å; L721-E761 WeakPolarHBondContact CA-O 3.4Å; L721-M762 HydrophobicContact CD1-CB 4Å; L721-M762 HydrophobicContact CG-CB 4.02Å
722	N	90.1	Very high	87.3	Confident	94 Å²	94	58.2 Å²	58.2	50%	0.503	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.2	173.4	-172.7	25.1	0	0	0	109.3	E761	N722-E761 PolarHBondContact N-O 2.83Å; N722-E761 PolarHBondContact O-N 3.22Å
723	W	91.4	Very high	87.2	Confident	5 Å²	5	60.4 Å²	60.4	2%	0.019	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.5	178.7	-72.8	86.7	0	0	0	110.8	L709 C711 L730 F738 N742 L745 T759 C760 V773	L709-W723 HydrophobicContact CB-CH2 3.78Å; L709-W723 HydrophobicContact CB-CZ3 4.1Å; L709-W723 HydrophobicContact CD1-CZ3 4.43Å; C711-W723 HydrophobicContact CB-CH2 3.75Å; C711-W723 HydrophobicContact CB-CZ2 3.36Å; W723-L730 HydrophobicContact CB-CD2 3.82Å; W723-L730 WeakPolarHBondContact O-CB 3.41Å; W723-F738 HydrophobicContact CB-CE1 4.32Å; W723-F738 AromaticContact CD1-CE1 3.77Å; W723-F738 HydrophobicContact CG-CE1 4.25Å; W723-N742 PolarHBondContact NE1-O 2.73Å; W723-L745 HydrophobicContact CB-CD2 4.16Å; W723-L745 HydrophobicContact CD2-CB 4.05Å; W723-L745 HydrophobicContact CD2-CD2 3.75Å; W723-L745 HydrophobicContact CE3-CB 4.47Å; W723-L745 HydrophobicContact CE3-CD2 3.81Å; W723-L745 HydrophobicContact CG-CB 4.49Å; W723-L745 HydrophobicContact CG-CD2 3.95Å; W723-L745 HydrophobicContact CH2-CB 4.3Å; W723-L745 HydrophobicContact CZ2-CB 3.86Å; W723-L745 HydrophobicContact CZ3-CD2 4.39Å; W723-T759 WeakPolarHBondContact CA-O 3.4Å; W723-C760 HydrophobicContact CD2-CB 4.1Å; W723-C760 HydrophobicContact CE3-CB 3.95Å; W723-C760 HydrophobicContact CH2-CB 4.01Å; W723-C760 HydrophobicContact CZ2-CB 4.14Å; W723-C760 HydrophobicContact CZ3-CB 3.9Å; W723-V773 HydrophobicContact CZ3-CG1 4.21Å
724	T	91.6	Very high	86.9	Confident	23 Å²	23	68.9 Å²	68.9	14%	0.141	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.7	173.2	56.9	0	0	0	0	109.6	S728 Y758 T759	T724-S728 CarbonylContact C-O 3.58Å; T724-S728 WeakPolarHBondContact CA-O 3.05Å; T724-S728 WeakPolarHBondContact CB-O 3.43Å; T724-Y758 CarbonylContact O-C 3.4Å; T724-Y758 WeakPolarHBondContact O-CA 3.47Å; T724-T759 PolarHBondContact N-O 3.25Å; T724-T759 PolarHBondContact O-N 2.96Å; T724-T759 WeakPolarHBondContact OG1-CB 3.36Å
725	K	91.3	Very high	86.8	Confident	35 Å²	35	71.2 Å²	71.2	15%	0.152	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.8	178.9	-176.8	-175.4	-171.6	-77.2	0	109.4	D727 S728 L730 V753 D754 A755 Y758	K725-D727 PolarHBondContact O-N 3.12Å; K725-S728 PolarHBondContact N-O 2.92Å; K725-S728 PolarHBondContact O-N 2.64Å; K725-S728 VanDerWaalsContact O-O 3.08Å; K725-L730 HydrophobicContact CB-CD1 4.01Å; K725-V753 PolarHBondContact NZ-O 2.88Å; K725-D754 WeakPolarHBondContact CE-O 3.25Å; K725-A755 PolarHBondContact NZ-O 3.25Å; K725-Y758 HydrophobicContact CB-CD1 4.16Å; K725-Y758 HydrophobicContact CB-CE1 4.14Å; K725-Y758 HydrophobicContact CD-CE1 4Å; K725-Y758 HydrophobicContact CD-CE2 4.01Å; K725-Y758 HydrophobicContact CG-CD1 4.34Å; K725-Y758 HydrophobicContact CG-CD2 4.39Å; K725-Y758 HydrophobicContact CG-CE1 4.14Å; K725-Y758 HydrophobicContact CG-CE2 4.17Å; K725-Y758 HydrophobicContact CG-CG 4.48Å
726	D	87.8	Confident	87	Confident	78 Å²	78	71.1 Å²	71.1	42%	0.417	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	44.8	-177.2	-56.9	-51.8	0	0	0	111.2	S728 G756 K757	D726-S728 PolarHBondContact O-N 3.27Å; D726-G756 WeakPolarHBondContact OD1-CA 3.03Å; D726-K757 PolarHBondContact N-O 2.92Å; D726-K757 PolarHBondContact OD1-N 2.97Å
727	D	83.8	Confident	87.1	Confident	104 Å²	104	74.1 Å²	74.1	56%	0.556	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	16.3	-177	-59.7	-40.8	0	0	0	115.9	K725 K757 T759	K725-D727 PolarHBondContact O-N 3.12Å; D727-K757 IonicContact OD1-NZ 3.27Å; D727-K757 PolarHBondContact OD1-NZ 2.8Å; D727-K757 IonicContact OD2-NZ 2.7Å; D727-K757 PolarHBondContact OD2-NZ 2.9Å; D727-T759 PolarHBondContact OD1-OG1 3.35Å
728	S	85.6	Confident	87.2	Confident	67 Å²	67	75 Å²	75	47%	0.469	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	155.5	173.1	-59.2	0	0	0	0	111.7	T724 K725 D726 L730	T724-S728 CarbonylContact C-O 3.58Å; T724-S728 WeakPolarHBondContact CA-O 3.05Å; T724-S728 WeakPolarHBondContact CB-O 3.43Å; K725-S728 PolarHBondContact N-O 2.92Å; K725-S728 PolarHBondContact O-N 2.64Å; K725-S728 VanDerWaalsContact O-O 3.08Å; D726-S728 PolarHBondContact O-N 3.27Å; S728-L730 PolarHBondContact O-N 2.83Å
729	P	85.8	Confident	87	Confident	111 Å²	111	70.5 Å²	70.5	72%	0.721	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.4	131.7	174.8	-26.7	35.5	0	0	0	112.2	V731	P729-V731 PolarHBondContact O-N 3.01Å; P729-V731 VanDerWaalsContact O-N 3.1Å
730	L	87.9	Confident	86.8	Confident	22 Å²	22	71 Å²	71	12%	0.115	37%	0.371	C	S	.	.			trans	-65.8	113.4	-177.9	174.8	57.7	0	0	0	110.2	W723 K725 S728 V732 F738 L745 Y758	W723-L730 HydrophobicContact CB-CD2 3.82Å; W723-L730 WeakPolarHBondContact O-CB 3.41Å; K725-L730 HydrophobicContact CB-CD1 4.01Å; S728-L730 PolarHBondContact O-N 2.83Å; L730-V732 HydrophobicContact CG-CG2 4.5Å; L730-V732 PolarHBondContact O-N 3.05Å; L730-F738 HydrophobicContact CD2-CE1 4.32Å; L730-F738 HydrophobicContact CD2-CZ 3.92Å; L730-L745 HydrophobicContact CD2-CD1 4.17Å; L730-L745 HydrophobicContact CD2-CD2 3.56Å; L730-Y758 HydrophobicContact CD1-CE1 3.86Å; L730-Y758 HydrophobicContact CD2-CE1 4.42Å
731	V	85	Confident	86.4	Confident	119 Å²	119	65.4 Å²	65.4	72%	0.721	37%	0.369	S	S	*	.			trans	-73.7	93.7	173.6	-177.3	0	0	0	0	108.4	P729 T733	P729-V731 PolarHBondContact O-N 3.01Å; P729-V731 VanDerWaalsContact O-N 3.1Å; V731-T733 PolarHBondContact O-N 3.48Å
732	V	83.3	Confident	86.2	Confident	82 Å²	82	68 Å²	68	50%	0.497	38%	0.383	S	S	.	.			trans	-64.8	127.4	178.5	-175.3	0	0	0	0	109.6	L730 H736 F738	L730-V732 HydrophobicContact CG-CG2 4.5Å; L730-V732 PolarHBondContact O-N 3.05Å; V732-H736 HydrophobicContact CG1-CB 4.08Å; V732-F738 HydrophobicContact CG1-CE2 4.02Å; V732-F738 HydrophobicContact CG2-CE2 3.72Å; V732-F738 HydrophobicContact CG2-CZ 3.92Å
733	T	84.1	Confident	86.1	Confident	60 Å²	60	65.7 Å²	65.7	37%	0.368	37%	0.37	S	S	.	.			trans	-118.2	171.5	173.9	64.2	0	0	0	0	109.9	V731 R735 H736	V731-T733 PolarHBondContact O-N 3.48Å; T733-R735 PolarHBondContact O-N 2.02Å; T733-R735 PolarHBondContact OG1-N 3.48Å; T733-H736 PolarHBondContact O-N 2.84Å; T733-H736 PolarHBondContact OG1-ND1 2.82Å
734	E	81.1	Confident	85.9	Confident	188 Å²	188	65.7 Å²	65.7	88%	0.879	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-12.6	175.1	-60.7	-178.3	167.2	0	0	114	F737	E734-F737 WeakPolarHBondContact O-CE2 3.41Å; E734-F737 WeakPolarHBondContact O-CZ 3.37Å
735	R	83.3	Confident	85.9	Confident	55 Å²	55	64.6 Å²	64.6	21%	0.208	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-7.2	174.4	-63.8	-169.8	-57.9	97.5	5.1	114.2	T733 V747 V748 D749 D754	T733-R735 PolarHBondContact O-N 2.02Å; T733-R735 PolarHBondContact OG1-N 3.48Å; R735-V747 CarbonylContact O-C 3.24Å; R735-V747 WeakPolarHBondContact O-CA 3.42Å; R735-V748 HydrophobicContact CB-CG2 4.02Å; R735-V748 WeakPolarHBondContact CB-O 3.45Å; R735-V748 HydrophobicContact CG-CG2 4.27Å; R735-V748 PolarHBondContact NH1-O 3.42Å; R735-V748 VanDerWaalsContact NH1-O 3.11Å; R735-V748 PolarHBondContact O-N 3.5Å; R735-D749 PolarHBondContact NH1-O 3.19Å; R735-D754 IonicContact CZ-OD1 3.31Å; R735-D754 IonicContact CZ-OD2 2.82Å; R735-D754 VanDerWaalsContact CZ-OD2 3.27Å; R735-D754 IonicContact NH1-OD1 3.49Å; R735-D754 IonicContact NH1-OD2 2.97Å; R735-D754 PolarHBondContact NH1-OD2 3.16Å; R735-D754 VanDerWaalsContact NH2-CG 3.29Å; R735-D754 IonicContact NH2-OD1 2.99Å; R735-D754 PolarHBondContact NH2-OD1 3.34Å; R735-D754 IonicContact NH2-OD2 2.66Å; R735-D754 PolarHBondContact NH2-OD2 2.81Å
736	H	89.1	Confident	85.8	Confident	15 Å²	15	63 Å²	63	7%	0.069	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.1	-178.8	-72.1	81.3	0	0	0	111.2	V732 T733 I746 D754 Y758	V732-H736 HydrophobicContact CG1-CB 4.08Å; T733-H736 PolarHBondContact O-N 2.84Å; T733-H736 PolarHBondContact OG1-ND1 2.82Å; H736-I746 WeakPolarHBondContact CA-O 3.48Å; H736-D754 IonicContact CE1-OD1 2.99Å; H736-Y758 PolarHBondContact NE2-OH 2.92Å
737	F	86.5	Confident	85.9	Confident	94 Å²	94	59.3 Å²	59.3	41%	0.412	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.9	178.3	-64.4	-92.4	0	0	0	111.1	E734 I746 V748	E734-F737 WeakPolarHBondContact O-CE2 3.41Å; E734-F737 WeakPolarHBondContact O-CZ 3.37Å; F737-I746 HydrophobicContact CB-CB 4.23Å; F737-I746 PolarHBondContact N-O 3.29Å; F737-I746 PolarHBondContact O-N 3.45Å; F737-V748 HydrophobicContact CD2-CG1 4.27Å; F737-V748 HydrophobicContact CD2-CG2 4.38Å; F737-V748 HydrophobicContact CE2-CG1 4.31Å; F737-V748 HydrophobicContact CE2-CG2 3.86Å
738	F	88.6	Confident	85.9	Confident	75 Å²	75	55.4 Å²	55.4	33%	0.329	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.7	173.4	-60.6	-89	0	0	0	110	W723 L730 V732 N742 L744 L745	W723-F738 HydrophobicContact CB-CE1 4.32Å; W723-F738 AromaticContact CD1-CE1 3.77Å; W723-F738 HydrophobicContact CG-CE1 4.25Å; L730-F738 HydrophobicContact CD2-CE1 4.32Å; L730-F738 HydrophobicContact CD2-CZ 3.92Å; V732-F738 HydrophobicContact CG1-CE2 4.02Å; V732-F738 HydrophobicContact CG2-CE2 3.72Å; V732-F738 HydrophobicContact CG2-CZ 3.92Å; F738-N742 HydrophobicContact CD1-CB 4.4Å; F738-L744 WeakPolarHBondContact CA-O 3.35Å; F738-L745 HydrophobicContact CD1-CD1 4.04Å; F738-L745 HydrophobicContact CE1-CD1 3.67Å; F738-L745 HydrophobicContact CZ-CD1 3.96Å
739	A	82.6	Confident	85.8	Confident	19 Å²	19	56.9 Å²	56.9	16%	0.157	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	170.8	174	0	0	0	0	0	110.7	A741 N742 Q743 L744 I746 V816	A739-A741 PolarHBondContact O-N 2.94Å; A739-N742 CarbonylContact O-C 3.6Å; A739-N742 PolarHBondContact O-N 2.83Å; A739-N742 VanDerWaalsContact O-N 3.15Å; A739-Q743 PolarHBondContact O-N 3.21Å; A739-L744 HydrophobicContact CB-CB 4.08Å; A739-L744 HydrophobicContact CB-CD1 4.21Å; A739-L744 PolarHBondContact N-O 2.95Å; A739-L744 PolarHBondContact O-N 2.95Å; A739-L744 VanDerWaalsContact O-N 3.08Å; A739-I746 HydrophobicContact CB-CD1 4.41Å; A739-V816 HydrophobicContact CB-CG1 4.22Å
740	A	82.9	Confident	85.8	Confident	28 Å²	28	51.6 Å²	51.6	23%	0.231	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	47	176.6	0	0	0	0	0	114.1	N742 Q743 L744 W827	A740-N742 VanDerWaalsContact C-N 3.33Å; A740-N742 PolarHBondContact O-N 2.98Å; A740-Q743 HydrophobicContact CB-CB 4.05Å; A740-Q743 VanDerWaalsContact O-CB 3.25Å; A740-Q743 WeakPolarHBondContact O-CB 3.49Å; A740-Q743 VanDerWaalsContact O-CG 3.27Å; A740-Q743 WeakPolarHBondContact O-CG 3.12Å; A740-Q743 PolarHBondContact O-N 3.17Å; A740-L744 HydrophobicContact CB-CD1 4.12Å; A740-L744 HydrophobicContact CB-CG 3.98Å; A740-W827 HydrophobicContact CB-CH2 3.38Å; A740-W827 HydrophobicContact CB-CZ2 3.43Å; A740-W827 VanDerWaalsContact CB-CZ2 3.43Å; A740-W827 HydrophobicContact CB-CZ3 4.27Å
741	A	81.4	Confident	85.5	Confident	89 Å²	89	51.7 Å²	51.7	74%	0.736	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	49.8	-174.2	0	0	0	0	0	112.9	A739 Q743	A739-A741 PolarHBondContact O-N 2.94Å; A741-Q743 PolarHBondContact O-N 3.17Å
742	N	87.6	Confident	85.4	Confident	66 Å²	66	51.1 Å²	51.1	35%	0.353	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	6.3	-176.2	-55.7	-4.1	0	0	0	115.7	L721 W723 F738 A739 A740 L744	L721-N742 HydrophobicContact CB-CB 3.9Å; L721-N742 PolarHBondContact O-ND2 2.72Å; L721-N742 VanDerWaalsContact O-ND2 3.1Å; W723-N742 PolarHBondContact NE1-O 2.73Å; F738-N742 HydrophobicContact CD1-CB 4.4Å; A739-N742 CarbonylContact O-C 3.6Å; A739-N742 PolarHBondContact O-N 2.83Å; A739-N742 VanDerWaalsContact O-N 3.15Å; A740-N742 VanDerWaalsContact C-N 3.33Å; A740-N742 PolarHBondContact O-N 2.98Å; N742-L744 PolarHBondContact O-N 2.88Å
743	Q	86.9	Confident	85.4	Confident	45 Å²	45	52.5 Å²	52.5	21%	0.21	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.3	173.4	-63.4	-174.1	17.9	0	0	113.5	C711 L721 A739 A740 A741	C711-Q743 CarbonylContact C-O 3.58Å; C711-Q743 PolarHBondContact N-O 2.97Å; C711-Q743 WeakPolarHBondContact O-CA 3.17Å; C711-Q743 VanDerWaalsContact O-CB 3.27Å; C711-Q743 WeakPolarHBondContact O-CB 3.11Å; C711-Q743 WeakPolarHBondContact O-CG 3.43Å; L721-Q743 HydrophobicContact CD1-CG 4.48Å; L721-Q743 HydrophobicContact CD2-CB 4.16Å; L721-Q743 HydrophobicContact CD2-CG 3.65Å; A739-Q743 PolarHBondContact O-N 3.21Å; A740-Q743 HydrophobicContact CB-CB 4.05Å; A740-Q743 VanDerWaalsContact O-CB 3.25Å; A740-Q743 WeakPolarHBondContact O-CB 3.49Å; A740-Q743 VanDerWaalsContact O-CG 3.27Å; A740-Q743 WeakPolarHBondContact O-CG 3.12Å; A740-Q743 PolarHBondContact O-N 3.17Å; A741-Q743 PolarHBondContact O-N 3.17Å
744	L	88.6	Confident	85.5	Confident	4 Å²	4	50 Å²	50	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.7	172.2	-62	178.2	0	0	0	110.1	V708 Q710 F738 A739 A740 N742 W827	V708-L744 HydrophobicContact CG1-CD2 4.34Å; Q710-L744 HydrophobicContact CB-CD2 4.16Å; Q710-L744 HydrophobicContact CG-CD2 3.71Å; F738-L744 WeakPolarHBondContact CA-O 3.35Å; A739-L744 HydrophobicContact CB-CB 4.08Å; A739-L744 HydrophobicContact CB-CD1 4.21Å; A739-L744 PolarHBondContact N-O 2.95Å; A739-L744 PolarHBondContact O-N 2.95Å; A739-L744 VanDerWaalsContact O-N 3.08Å; A740-L744 HydrophobicContact CB-CD1 4.12Å; A740-L744 HydrophobicContact CB-CG 3.98Å; N742-L744 PolarHBondContact O-N 2.88Å; L744-W827 HydrophobicContact CD1-CB 4.5Å; L744-W827 HydrophobicContact CD1-CD2 3.58Å; L744-W827 HydrophobicContact CD1-CE3 3.99Å; L744-W827 HydrophobicContact CD1-CG 3.8Å; L744-W827 HydrophobicContact CD1-CZ2 4.22Å; L744-W827 HydrophobicContact CD1-CZ3 4.43Å
745	L	90.6	Very high	85.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.2	167.4	174.7	55.8	0	0	0	108.7	L709 W723 L730 F738 Y758	L709-L745 HydrophobicContact CB-CB 4.34Å; L709-L745 HydrophobicContact CD1-CD2 4.36Å; L709-L745 PolarHBondContact N-O 3.14Å; L709-L745 PolarHBondContact O-N 3.17Å; W723-L745 HydrophobicContact CB-CD2 4.16Å; W723-L745 HydrophobicContact CD2-CB 4.05Å; W723-L745 HydrophobicContact CD2-CD2 3.75Å; W723-L745 HydrophobicContact CE3-CB 4.47Å; W723-L745 HydrophobicContact CE3-CD2 3.81Å; W723-L745 HydrophobicContact CG-CB 4.49Å; W723-L745 HydrophobicContact CG-CD2 3.95Å; W723-L745 HydrophobicContact CH2-CB 4.3Å; W723-L745 HydrophobicContact CZ2-CB 3.86Å; W723-L745 HydrophobicContact CZ3-CD2 4.39Å; L730-L745 HydrophobicContact CD2-CD1 4.17Å; L730-L745 HydrophobicContact CD2-CD2 3.56Å; F738-L745 HydrophobicContact CD1-CD1 4.04Å; F738-L745 HydrophobicContact CE1-CD1 3.67Å; F738-L745 HydrophobicContact CZ-CD1 3.96Å; L745-Y758 HydrophobicContact CD2-CD1 3.64Å; L745-Y758 HydrophobicContact CD2-CE1 3.79Å
746	I	89.1	Confident	86	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.4	-177.4	-56.2	173.5	0	0	0	107.9	T706 A707 V708 H736 F737 A739 V748 I813 V816	T706-I746 HydrophobicContact CG2-CG2 3.52Å; A707-I746 CarbonylContact O-C 3.56Å; A707-I746 WeakPolarHBondContact O-CA 2.98Å; V708-I746 HydrophobicContact CG1-CG1 4.28Å; V708-I746 HydrophobicContact CG2-CG1 4.25Å; V708-I746 HydrophobicContact CG2-CG2 4.35Å; H736-I746 WeakPolarHBondContact CA-O 3.48Å; F737-I746 HydrophobicContact CB-CB 4.23Å; F737-I746 PolarHBondContact N-O 3.29Å; F737-I746 PolarHBondContact O-N 3.45Å; A739-I746 HydrophobicContact CB-CD1 4.41Å; I746-V748 HydrophobicContact CG2-CG1 4.33Å; I746-I813 HydrophobicContact CG2-CD1 4.32Å; I746-V816 HydrophobicContact CD1-CG1 4.43Å; I746-V816 HydrophobicContact CD1-CG2 4.14Å
747	V	89.6	Confident	86.2	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	109.3	175.7	-170.4	0	0	0	0	108.1	T706 A707 R735 D754	T706-V747 CarbonylContact C-O 3.58Å; T706-V747 VanDerWaalsContact CA-O 3.31Å; T706-V747 WeakPolarHBondContact CA-O 3.48Å; A707-V747 HydrophobicContact CB-CB 4.33Å; A707-V747 PolarHBondContact N-O 3.11Å; A707-V747 PolarHBondContact O-N 2.71Å; R735-V747 CarbonylContact O-C 3.24Å; R735-V747 WeakPolarHBondContact O-CA 3.42Å; V747-D754 HydrophobicContact CG1-CB 4.26Å
748	V	85.3	Confident	86.5	Confident	22 Å²	22	38.5 Å²	38.5	13%	0.133	23%	0.231	C	C	.	.	S	Bend	trans	-87.1	154.5	177.2	-59.6	0	0	0	0	111.2	T706 R735 F737 I746 A750 I813	T706-V748 HydrophobicContact CG2-CG1 3.89Å; R735-V748 HydrophobicContact CB-CG2 4.02Å; R735-V748 WeakPolarHBondContact CB-O 3.45Å; R735-V748 HydrophobicContact CG-CG2 4.27Å; R735-V748 PolarHBondContact NH1-O 3.42Å; R735-V748 VanDerWaalsContact NH1-O 3.11Å; R735-V748 PolarHBondContact O-N 3.5Å; F737-V748 HydrophobicContact CD2-CG1 4.27Å; F737-V748 HydrophobicContact CD2-CG2 4.38Å; F737-V748 HydrophobicContact CE2-CG1 4.31Å; F737-V748 HydrophobicContact CE2-CG2 3.86Å; I746-V748 HydrophobicContact CG2-CG1 4.33Å; V748-A750 PolarHBondContact O-N 3.26Å; V748-I813 HydrophobicContact CG1-CD1 3.5Å; V748-I813 VanDerWaalsContact CG1-CD1 3.5Å; V748-I813 HydrophobicContact CG1-CG1 4.31Å
749	D	83.3	Confident	86.7	Confident	98 Å²	98	35.1 Å²	35.1	52%	0.524	22%	0.217	S	C	.	.	S	Bend	trans	48.6	59.4	-178.9	-178	37.1	0	0	0	111.1	G704 E705 R735 A751	G704-D749 WeakPolarHBondContact CA-OD1 3.28Å; E705-D749 PolarHBondContact O-N 2.93Å; R735-D749 PolarHBondContact NH1-O 3.19Å; D749-A751 PolarHBondContact O-N 2.83Å
750	A	84.4	Confident	87.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.209	C	C	.	.			trans	-62.5	124	-171.7	0	0	0	0	0	111.1	V701 K703 G704 E705 V748 V777	V701-A750 HydrophobicContact CG2-CB 3.72Å; K703-A750 CarbonylContact C-O 3.39Å; K703-A750 VanDerWaalsContact CA-O 3.31Å; K703-A750 WeakPolarHBondContact CA-O 3.47Å; G704-A750 PolarHBondContact N-O 3.42Å; E705-A750 VanDerWaalsContact O-CB 3.29Å; E705-A750 WeakPolarHBondContact O-CB 3.43Å; E705-A750 PolarHBondContact O-N 3.34Å; V748-A750 PolarHBondContact O-N 3.26Å; A750-V777 HydrophobicContact CB-CG1 4.38Å; A750-V777 HydrophobicContact CB-CG2 4.13Å
751	A	83.3	Confident	87.5	Confident	25 Å²	25	35 Å²	35	21%	0.207	21%	0.208	C	C	.	.			trans	-112.2	161.7	-179.7	0	0	0	0	0	110.8	D749 V753 D754 V777	D749-A751 PolarHBondContact O-N 2.83Å; A751-V753 HydrophobicContact CB-CG2 4.02Å; A751-V753 PolarHBondContact O-N 3.2Å; A751-D754 PolarHBondContact N-OD2 2.9Å; A751-D754 WeakPolarHBondContact O-CB 3.27Å; A751-D754 PolarHBondContact O-N 3.01Å; A751-V777 WeakPolarHBondContact O-CG2 3.26Å
752	E	81.6	Confident	88	Confident	106 Å²	106	30.7 Å²	30.7	50%	0.495	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-56.7	-25.3	-179.7	-69.8	153	-119.2	0	0	113.4	K703 D754 A755	K703-E752 WeakPolarHBondContact CD-OE1 3.43Å; K703-E752 WeakPolarHBondContact CE-OE1 3.07Å; K703-E752 IonicContact NZ-OE1 3.94Å; K703-E752 PolarHBondContact NZ-OE1 3.1Å; E752-D754 VanDerWaalsContact C-N 3.31Å; E752-D754 PolarHBondContact O-N 2.98Å; E752-A755 WeakPolarHBondContact O-CB 3.3Å; E752-A755 PolarHBondContact O-N 3.26Å
753	V	83.1	Confident	88	Confident	112 Å²	112	29.5 Å²	29.5	68%	0.679	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-72.7	-19.7	174.9	-62.7	0	0	0	0	114.2	K725 A751	K725-V753 PolarHBondContact NZ-O 2.88Å; A751-V753 HydrophobicContact CB-CG2 4.02Å; A751-V753 PolarHBondContact O-N 3.2Å
754	D	85.9	Confident	88.2	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.043	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-84.2	-16.3	175.9	-50.5	-51	0	0	0	111.6	K725 R735 H736 V747 A751 E752 G756 Y758 L775	K725-D754 WeakPolarHBondContact CE-O 3.25Å; R735-D754 IonicContact CZ-OD1 3.31Å; R735-D754 IonicContact CZ-OD2 2.82Å; R735-D754 VanDerWaalsContact CZ-OD2 3.27Å; R735-D754 IonicContact NH1-OD1 3.49Å; R735-D754 IonicContact NH1-OD2 2.97Å; R735-D754 PolarHBondContact NH1-OD2 3.16Å; R735-D754 VanDerWaalsContact NH2-CG 3.29Å; R735-D754 IonicContact NH2-OD1 2.99Å; R735-D754 PolarHBondContact NH2-OD1 3.34Å; R735-D754 IonicContact NH2-OD2 2.66Å; R735-D754 PolarHBondContact NH2-OD2 2.81Å; H736-D754 IonicContact CE1-OD1 2.99Å; V747-D754 HydrophobicContact CG1-CB 4.26Å; A751-D754 PolarHBondContact N-OD2 2.9Å; A751-D754 WeakPolarHBondContact O-CB 3.27Å; A751-D754 PolarHBondContact O-N 3.01Å; E752-D754 VanDerWaalsContact C-N 3.31Å; E752-D754 PolarHBondContact O-N 2.98Å; D754-G756 PolarHBondContact O-N 3.15Å; D754-Y758 VanDerWaalsContact O-CE2 3.28Å; D754-Y758 WeakPolarHBondContact O-CE2 3.38Å; D754-Y758 PolarHBondContact O-OH 2.97Å; D754-L775 HydrophobicContact CB-CD2 4.36Å
755	A	86.9	Confident	88	Confident	36 Å²	36	32.8 Å²	32.8	30%	0.298	20%	0.202	S	C	.	.			trans	-60.7	138.6	172.3	0	0	0	0	0	110.4	K725 E752 L775 V777	K725-A755 PolarHBondContact NZ-O 3.25Å; E752-A755 WeakPolarHBondContact O-CB 3.3Å; E752-A755 PolarHBondContact O-N 3.26Å; A755-L775 CarbonylContact C-O 3.55Å; A755-L775 VanDerWaalsContact CA-O 3.24Å; A755-L775 WeakPolarHBondContact CA-O 3.39Å; A755-V777 HydrophobicContact CB-CB 4.45Å; A755-V777 HydrophobicContact CB-CG2 4.28Å
756	G	89.3	Confident	87.6	Confident	19 Å²	19	35.6 Å²	35.6	20%	0.196	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-179.4	-175.1	0	0	0	0	0	114.2	D726 D754 R774 L775	D726-G756 WeakPolarHBondContact OD1-CA 3.03Å; D754-G756 PolarHBondContact O-N 3.15Å; G756-R774 WeakPolarHBondContact O-CA 3Å; G756-L775 PolarHBondContact N-O 3.49Å; G756-L775 PolarHBondContact O-N 3.41Å
757	K	92.4	Very high	87.5	Confident	55 Å²	55	36.8 Å²	36.8	24%	0.239	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	103.1	175.1	179.3	-153.9	-179.5	-160.7	0	109.1	D726 D727 H772	D726-K757 PolarHBondContact N-O 2.92Å; D726-K757 PolarHBondContact OD1-N 2.97Å; D727-K757 IonicContact OD1-NZ 3.27Å; D727-K757 PolarHBondContact OD1-NZ 2.8Å; D727-K757 IonicContact OD2-NZ 2.7Å; D727-K757 PolarHBondContact OD2-NZ 2.9Å; K757-H772 VanDerWaalsContact CE-ND1 3.34Å; K757-H772 WeakPolarHBondContact CE-ND1 3.48Å; K757-H772 HydrophobicContact CG-CB 4.49Å
758	Y	93.2	Very high	87.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.3	167.6	-71.1	-101.8	0	0	0	109.7	L709 T724 K725 L730 H736 L745 D754 H772 V773 L775	L709-Y758 HydrophobicContact CD1-CD1 3.84Å; L709-Y758 HydrophobicContact CD1-CD2 3.6Å; L709-Y758 HydrophobicContact CD1-CE1 4.29Å; L709-Y758 HydrophobicContact CD1-CE2 4.08Å; L709-Y758 HydrophobicContact CD1-CG 3.46Å; L709-Y758 VanDerWaalsContact CD1-CG 3.46Å; T724-Y758 CarbonylContact O-C 3.4Å; T724-Y758 WeakPolarHBondContact O-CA 3.47Å; K725-Y758 HydrophobicContact CB-CD1 4.16Å; K725-Y758 HydrophobicContact CB-CE1 4.14Å; K725-Y758 HydrophobicContact CD-CE1 4Å; K725-Y758 HydrophobicContact CD-CE2 4.01Å; K725-Y758 HydrophobicContact CG-CD1 4.34Å; K725-Y758 HydrophobicContact CG-CD2 4.39Å; K725-Y758 HydrophobicContact CG-CE1 4.14Å; K725-Y758 HydrophobicContact CG-CE2 4.17Å; K725-Y758 HydrophobicContact CG-CG 4.48Å; L730-Y758 HydrophobicContact CD1-CE1 3.86Å; L730-Y758 HydrophobicContact CD2-CE1 4.42Å; H736-Y758 PolarHBondContact NE2-OH 2.92Å; L745-Y758 HydrophobicContact CD2-CD1 3.64Å; L745-Y758 HydrophobicContact CD2-CE1 3.79Å; D754-Y758 VanDerWaalsContact O-CE2 3.28Å; D754-Y758 WeakPolarHBondContact O-CE2 3.38Å; D754-Y758 PolarHBondContact O-OH 2.97Å; Y758-H772 CarbonylContact O-C 3.2Å; Y758-H772 WeakPolarHBondContact O-CA 3.05Å; Y758-V773 PolarHBondContact N-O 3.27Å; Y758-V773 PolarHBondContact O-N 2.86Å; Y758-L775 HydrophobicContact CD2-CB 4Å; Y758-L775 HydrophobicContact CE2-CB 3.81Å; Y758-L775 HydrophobicContact CE2-CD2 3.91Å
759	T	91.9	Very high	87.6	Confident	3 Å²	3	43.5 Å²	43.5	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.6	175.3	-61.8	0	0	0	0	108.2	W723 T724 D727 R770 G771 H772	W723-T759 WeakPolarHBondContact CA-O 3.4Å; T724-T759 PolarHBondContact N-O 3.25Å; T724-T759 PolarHBondContact O-N 2.96Å; T724-T759 WeakPolarHBondContact OG1-CB 3.36Å; D727-T759 PolarHBondContact OD1-OG1 3.35Å; T759-R770 HydrophobicContact CG2-CB 4.46Å; T759-G771 CarbonylContact C-O 3.5Å; T759-G771 VanDerWaalsContact CA-O 3.32Å; T759-G771 WeakPolarHBondContact CA-O 3.28Å; T759-H772 WeakPolarHBondContact CG2-ND1 3.25Å; T759-H772 PolarHBondContact OG1-CE1 3.43Å; T759-H772 PolarHBondContact OG1-ND1 2.97Å
760	C	91.7	Very high	87.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.1	166.7	-176.4	0	0	0	0	108.7	L696 C711 W723 R770 G771	L696-C760 HydrophobicContact CD2-CB 4.29Å; C711-C760 HydrophobicContact CB-CB 3.62Å; C711-C760 WeakPolarHBondContact CB-SG 3.26Å; C711-C760 WeakPolarHBondContact SG-CB 3.28Å; C711-C760 CovalentContact SG-SG 2.03Å; C711-C760 PolarHBondContact SG-SG 2.84Å; W723-C760 HydrophobicContact CD2-CB 4.1Å; W723-C760 HydrophobicContact CE3-CB 3.95Å; W723-C760 HydrophobicContact CH2-CB 4.01Å; W723-C760 HydrophobicContact CZ2-CB 4.14Å; W723-C760 HydrophobicContact CZ3-CB 3.9Å; C760-R770 WeakPolarHBondContact O-CA 3Å; C760-G771 PolarHBondContact N-O 3.11Å; C760-G771 PolarHBondContact O-N 2.84Å
761	E	90.9	Very high	88.1	Confident	44 Å²	44	45.1 Å²	45.1	21%	0.206	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.5	171.3	176.4	167.5	169.2	0	0	109.1	L721 N722 R770	L721-E761 WeakPolarHBondContact CA-O 3.4Å; N722-E761 PolarHBondContact N-O 2.83Å; N722-E761 PolarHBondContact O-N 3.22Å; E761-R770 HydrophobicContact CB-CG 4.02Å; E761-R770 HydrophobicContact CG-CG 3.97Å; E761-R770 IonicContact OE1-CZ 3.36Å; E761-R770 IonicContact OE1-NE 3.89Å; E761-R770 IonicContact OE1-NH2 2.7Å; E761-R770 PolarHBondContact OE1-NH2 2.99Å; E761-R770 IonicContact OE2-CZ 3.63Å; E761-R770 VanDerWaalsContact OE2-CZ 3.28Å; E761-R770 IonicContact OE2-NE 3.66Å; E761-R770 PolarHBondContact OE2-NE 3.17Å; E761-R770 IonicContact OE2-NH2 2.69Å; E761-R770 PolarHBondContact OE2-NH2 3.45Å
762	M	91.6	Very high	88.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.9	177	58.7	168.1	85.5	0	0	110.2	P690 Y691 F692 A713 P719 R720 L721 T768 E769	P690-M762 HydrophobicContact CB-CB 4.1Å; P690-M762 HydrophobicContact CB-CG 3.5Å; P690-M762 HydrophobicContact CB-SD 3.45Å; P690-M762 WeakPolarHBondContact CB-SD 3.32Å; Y691-M762 PolarHBondContact N-SD 2.93Å; Y691-M762 VanDerWaalsContact N-SD 3.42Å; F692-M762 HydrophobicContact CD1-CE 3.44Å; F692-M762 VanDerWaalsContact CD1-CE 3.44Å; F692-M762 HydrophobicContact CD2-CE 4.22Å; F692-M762 HydrophobicContact CE1-CE 3.3Å; F692-M762 HydrophobicContact CE2-CE 4.1Å; F692-M762 HydrophobicContact CG-CE 3.89Å; F692-M762 HydrophobicContact CZ-CE 3.61Å; A713-M762 HydrophobicContact CB-CB 4.5Å; A713-M762 HydrophobicContact CB-CE 3.52Å; A713-M762 HydrophobicContact CB-SD 3.7Å; P719-M762 HydrophobicContact CB-CB 4.21Å; R720-M762 WeakPolarHBondContact O-CA 3.49Å; L721-M762 HydrophobicContact CD1-CB 4Å; L721-M762 HydrophobicContact CG-CB 4.02Å; M762-T768 CarbonylContact O-C 3.58Å; M762-T768 VanDerWaalsContact O-CA 3.28Å; M762-T768 WeakPolarHBondContact O-CA 3.14Å; M762-E769 HydrophobicContact CG-CB 3.87Å; M762-E769 WeakPolarHBondContact CG-O 3.2Å; M762-E769 PolarHBondContact N-O 2.91Å; M762-E769 PolarHBondContact O-N 3Å; M762-E769 HydrophobicContact SD-CB 4.32Å
763	S	89.3	Confident	88.9	Confident	40 Å²	40	43.6 Å²	43.6	28%	0.28	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	134	-168.7	59.2	0	0	0	0	112.3	P719 R720 G767	P719-S763 CarbonylContact C-O 3.16Å; P719-S763 VanDerWaalsContact CA-O 3.23Å; P719-S763 WeakPolarHBondContact CA-O 3.4Å; P719-S763 WeakPolarHBondContact CB-O 3.37Å; R720-S763 PolarHBondContact N-O 2.03Å; R720-S763 PolarHBondContact O-N 3.26Å; R720-S763 PolarHBondContact O-OG 2.6Å; S763-G767 WeakPolarHBondContact CA-O 3.06Å
764	N	90.5	Very high	89.3	Confident	27 Å²	27	45.9 Å²	45.9	14%	0.144	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	-175.9	167.2	80.9	4.2	0	0	0	110.8	E688 P690 P717 P719 L766 G767	E688-N764 PolarHBondContact O-ND2 3.44Å; P690-N764 WeakPolarHBondContact CD-OD1 3.43Å; P690-N764 HydrophobicContact CG-CB 4.17Å; P717-N764 WeakPolarHBondContact O-CB 3.18Å; P717-N764 PolarHBondContact O-ND2 2.8Å; P719-N764 HydrophobicContact CB-CB 4.3Å; N764-L766 PolarHBondContact O-N 2.8Å; N764-L766 WeakPolarHBondContact OD1-CB 3.49Å; N764-L766 PolarHBondContact OD1-N 2.8Å; N764-G767 PolarHBondContact N-O 3.44Å; N764-G767 PolarHBondContact O-N 3.39Å; N764-G767 VanDerWaalsContact O-N 3.15Å
765	A	83.9	Confident	89.5	Confident	92 Å²	92	45.7 Å²	45.7	76%	0.76	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.3	-176.8	0	0	0	0	0	114.9
766	L	83.5	Confident	89.5	Confident	59 Å²	59	45.9 Å²	45.9	31%	0.309	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-10.8	177.7	-64.8	-176.7	0	0	0	114.6	R608 L687 T689 N764	R608-L766 HydrophobicContact CB-CD1 4.36Å; R608-L766 HydrophobicContact CG-CD1 3.92Å; L687-L766 HydrophobicContact CB-CD1 3.53Å; L687-L766 HydrophobicContact CB-CG 4.33Å; L687-L766 HydrophobicContact CD1-CD2 4.46Å; T689-L766 HydrophobicContact CG2-CB 3.58Å; T689-L766 WeakPolarHBondContact CG2-O 3.48Å; N764-L766 PolarHBondContact O-N 2.8Å; N764-L766 WeakPolarHBondContact OD1-CB 3.49Å; N764-L766 PolarHBondContact OD1-N 2.8Å
767	G	85	Confident	89.3	Confident	27 Å²	27	45.7 Å²	45.7	28%	0.278	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	157.1	-172.2	179.7	0	0	0	0	0	115.6	P690 S763 N764	P690-G767 WeakPolarHBondContact CG-O 3.11Å; S763-G767 WeakPolarHBondContact CA-O 3.06Å; N764-G767 PolarHBondContact N-O 3.44Å; N764-G767 PolarHBondContact O-N 3.39Å; N764-G767 VanDerWaalsContact O-N 3.15Å
768	T	87.6	Confident	88.7	Confident	74 Å²	74	47.6 Å²	47.6	45%	0.454	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.5	-179.7	61.6	0	0	0	0	110.6	M762	M762-T768 CarbonylContact O-C 3.58Å; M762-T768 VanDerWaalsContact O-CA 3.28Å; M762-T768 WeakPolarHBondContact O-CA 3.14Å
769	E	89.6	Confident	87.4	Confident	88 Å²	88	51.9 Å²	51.9	41%	0.411	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.3	175.5	-177.7	59.4	-164.3	0	0	109.6	P690 F692 M762	P690-E769 HydrophobicContact CB-CB 4.2Å; F692-E769 HydrophobicContact CD2-CG 4.15Å; F692-E769 HydrophobicContact CE2-CG 3.77Å; M762-E769 HydrophobicContact CG-CB 3.87Å; M762-E769 WeakPolarHBondContact CG-O 3.2Å; M762-E769 PolarHBondContact N-O 2.91Å; M762-E769 PolarHBondContact O-N 3Å; M762-E769 HydrophobicContact SD-CB 4.32Å
770	R	90.3	Very high	85.9	Confident	122 Å²	122	57.5 Å²	57.5	46%	0.46	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.9	-175.1	-65.7	-171.9	-175.9	84.4	8.4	112.1	T759 C760 E761	T759-R770 HydrophobicContact CG2-CB 4.46Å; C760-R770 WeakPolarHBondContact O-CA 3Å; E761-R770 HydrophobicContact CB-CG 4.02Å; E761-R770 HydrophobicContact CG-CG 3.97Å; E761-R770 IonicContact OE1-CZ 3.36Å; E761-R770 IonicContact OE1-NE 3.89Å; E761-R770 IonicContact OE1-NH2 2.7Å; E761-R770 PolarHBondContact OE1-NH2 2.99Å; E761-R770 IonicContact OE2-CZ 3.63Å; E761-R770 VanDerWaalsContact OE2-CZ 3.28Å; E761-R770 IonicContact OE2-NE 3.66Å; E761-R770 PolarHBondContact OE2-NE 3.17Å; E761-R770 IonicContact OE2-NH2 2.69Å; E761-R770 PolarHBondContact OE2-NH2 3.45Å
771	G	88.3	Confident	84	Confident	10 Å²	10	62 Å²	62	10%	0.103	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.1	178.9	0	0	0	0	0	110.7	F692 T759 C760	F692-G771 VanDerWaalsContact CZ-CA 3.42Å; F692-G771 VanDerWaalsContact CZ-N 3.28Å; T759-G771 CarbonylContact C-O 3.5Å; T759-G771 VanDerWaalsContact CA-O 3.32Å; T759-G771 WeakPolarHBondContact CA-O 3.28Å; C760-G771 PolarHBondContact N-O 3.11Å; C760-G771 PolarHBondContact O-N 2.84Å
772	H	91.5	Very high	81.9	Confident	95 Å²	95	68 Å²	68	44%	0.44	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145.4	-173.9	-52.2	-57.7	0	0	0	111	L696 K757 Y758 T759	L696-H772 WeakPolarHBondContact CB-O 3.16Å; K757-H772 VanDerWaalsContact CE-ND1 3.34Å; K757-H772 WeakPolarHBondContact CE-ND1 3.48Å; K757-H772 HydrophobicContact CG-CB 4.49Å; Y758-H772 CarbonylContact O-C 3.2Å; Y758-H772 WeakPolarHBondContact O-CA 3.05Å; T759-H772 WeakPolarHBondContact CG2-ND1 3.25Å; T759-H772 PolarHBondContact OG1-CE1 3.43Å; T759-H772 PolarHBondContact OG1-ND1 2.97Å
773	V	91.4	Very high	79.3	Confident	4 Å²	4	73.7 Å²	73.7	2%	0.024	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	135.5	173.3	62.8	0	0	0	0	109.1	L696 T697 L709 W723 Y758	L696-V773 HydrophobicContact CB-CB 4.16Å; L696-V773 HydrophobicContact CD2-CB 4.07Å; L696-V773 HydrophobicContact CD2-CG1 4.15Å; L696-V773 HydrophobicContact CG-CB 4.33Å; T697-V773 WeakPolarHBondContact O-CG2 3.41Å; L709-V773 HydrophobicContact CB-CG1 4.37Å; L709-V773 HydrophobicContact CD1-CG1 4.05Å; L709-V773 HydrophobicContact CD2-CG1 4.02Å; L709-V773 HydrophobicContact CD2-CG2 4.06Å; L709-V773 HydrophobicContact CG-CG1 4.38Å; W723-V773 HydrophobicContact CZ3-CG1 4.21Å; Y758-V773 PolarHBondContact N-O 3.27Å; Y758-V773 PolarHBondContact O-N 2.86Å
774	R	90.4	Very high	76.7	Confident	160 Å²	160	78.8 Å²	78.8	60%	0.604	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.9	168.4	-62	-173.6	-177	79.9	0.6	110.3	D698 R699 G756	D698-R774 WeakPolarHBondContact CA-O 3.3Å; D698-R774 HydrophobicContact CB-CB 4.43Å; D698-R774 PolarHBondContact OD1-N 3.46Å; D698-R774 IonicContact OD2-NH1 2.79Å; D698-R774 PolarHBondContact OD2-NH1 3.48Å; R699-R774 PolarHBondContact N-O 2.87Å; G756-R774 WeakPolarHBondContact O-CA 3Å
775	L	90.5	Very high	74.1	Confident	4 Å²	4	83.1 Å²	83.1	2%	0.021	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.6	160.5	-177.3	56.5	0	0	0	108.2	R699 V701 A707 D754 A755 G756 Y758 V777	R699-L775 HydrophobicContact CB-CD1 4.13Å; R699-L775 CarbonylContact O-C 3.58Å; R699-L775 WeakPolarHBondContact O-CA 3.46Å; V701-L775 HydrophobicContact CG2-CD1 4.08Å; A707-L775 HydrophobicContact CB-CD1 3.64Å; A707-L775 HydrophobicContact CB-CD2 3.9Å; A707-L775 HydrophobicContact CB-CG 4.46Å; D754-L775 HydrophobicContact CB-CD2 4.36Å; A755-L775 CarbonylContact C-O 3.55Å; A755-L775 VanDerWaalsContact CA-O 3.24Å; A755-L775 WeakPolarHBondContact CA-O 3.39Å; G756-L775 PolarHBondContact N-O 3.49Å; G756-L775 PolarHBondContact O-N 3.41Å; Y758-L775 HydrophobicContact CD2-CB 4Å; Y758-L775 HydrophobicContact CE2-CB 3.81Å; Y758-L775 HydrophobicContact CE2-CD2 3.91Å; L775-V777 HydrophobicContact CG-CG2 4.32Å
776	A	86.6	Confident	71.8	Confident	40 Å²	40	81.9 Å²	81.9	33%	0.331	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.8	168.4	0	0	0	0	0	109.1	R699 T700 V701	R699-A776 PolarHBondContact O-N 3.4Å; T700-A776 VanDerWaalsContact CA-O 3.32Å; T700-A776 WeakPolarHBondContact CA-O 3.25Å; T700-A776 HydrophobicContact CG2-CB 4.22Å; V701-A776 PolarHBondContact N-O 3.07Å
777	V	85.8	Confident	69.6	Low	15 Å²	15	84.9 Å²	84.9	9%	0.091	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.8	175.8	-176.4	0	0	0	0	107.9	V701 K703 A750 A751 A755 L775	V701-V777 HydrophobicContact CG2-CG2 4.02Å; V701-V777 CarbonylContact O-C 3.41Å; V701-V777 WeakPolarHBondContact O-CA 3.49Å; K703-V777 HydrophobicContact CB-CG1 4.14Å; A750-V777 HydrophobicContact CB-CG1 4.38Å; A750-V777 HydrophobicContact CB-CG2 4.13Å; A751-V777 WeakPolarHBondContact O-CG2 3.26Å; A755-V777 HydrophobicContact CB-CB 4.45Å; A755-V777 HydrophobicContact CB-CG2 4.28Å; L775-V777 HydrophobicContact CG-CG2 4.32Å
778	L	79.6	Confident	67	Low	95 Å²	95	92.3 Å²	92.3	50%	0.497	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	132.5	179.6	-65.6	176.7	0	0	0	110.2	T700 V701 K703 N780	T700-L778 HydrophobicContact CG2-CD1 3.57Å; T700-L778 HydrophobicContact CG2-CD2 4.22Å; T700-L778 HydrophobicContact CG2-CG 3.57Å; V701-L778 PolarHBondContact O-N 3.08Å; K703-L778 PolarHBondContact N-O 2.86Å; L778-N780 PolarHBondContact O-N 3.09Å
779	P	65.5	Low	64.4	Low	91 Å²	91	94.3 Å²	94.3	59%	0.591	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-62.9	134.4	168.6	28.4	-33.6	0	0	0	109.2	P781	P779-P781 WeakPolarHBondContact O-CD 3.19Å
780	N	61.4	Low	61.7	Low	120 Å²	120	93.2 Å²	93.2	64%	0.642	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-62.2	119.5	-171.2	-166.4	9	0	0	0	111.1	L778 N782	L778-N780 PolarHBondContact O-N 3.09Å; N780-N782 PolarHBondContact O-N 2.7Å
781	P	51.4	Low	59	Low	96 Å²	96	94.6 Å²	94.6	62%	0.623	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-69.1	122.1	-175.4	26.5	-34.5	0	0	0	111.6	P779 C783	P779-P781 WeakPolarHBondContact O-CD 3.19Å; P781-C783 PolarHBondContact O-N 3.41Å
782	N	45.8	Very low	56.3	Low	169 Å²	169	97.2 Å²	97.2	90%	0.904	60%	0.597	S	S	*	*			trans	-82.4	107.1	-177.4	-161.3	36.4	0	0	0	110.4	N780	N780-N782 PolarHBondContact O-N 2.7Å
783	C	38.2	Very low	53.7	Low	120 Å²	120	100.6 Å²	100.6	81%	0.811	62%	0.618	S	S	*	*			trans	-90.7	115	-174.3	-70	0	0	0	0	112.9	P781	P781-C783 PolarHBondContact O-N 3.41Å
784	D	32.8	Very low	51	Low	147 Å²	147	106.2 Å²	106.2	79%	0.786	65%	0.653	S	S	*	*			trans	-132.9	127.4	157.2	-174.4	13.3	0	0	0	109.3
785	S	37.8	Very low	48.2	Very low	118 Å²	118	107.6 Å²	107.6	83%	0.825	67%	0.668	S	S	*	*			trans	57.1	145	-174.1	74.5	0	0	0	0	117.5
786	G	35.4	Very low	45.4	Very low	65 Å²	65	110.8 Å²	110.8	67%	0.67	70%	0.702	S	S	*	*			cis	156.7	149.6	-14.8	0	0	0	0	0	115.1
787	V	36.1	Very low	42.6	Very low	122 Å²	122	115.1 Å²	115.1	74%	0.739	73%	0.73	S	S	*	*			trans	82	112.3	141.4	-175.8	0	0	0	0	120.2
788	Q	31.6	Very low	39.8	Very low	183 Å²	183	117.8 Å²	117.8	86%	0.855	76%	0.761	S	S	*	*			trans	72.6	159.4	147.1	-68.3	166.8	17.1	0	0	122.5
789	S	31.7	Very low	37.3	Very low	117 Å²	117	119.1 Å²	119.1	82%	0.818	78%	0.778	S	S	*	*			cis	-176.3	151.5	-38.3	-159.5	0	0	0	0	112.8
790	G	33.2	Very low	35.6	Very low	65 Å²	65	118.5 Å²	118.5	67%	0.67	79%	0.788	S	S	*	*			trans	84.7	155.1	154	0	0	0	0	0	118
791	T	34.4	Very low	34.3	Very low	151 Å²	151	116.8 Å²	116.8	93%	0.926	79%	0.79	S	S	*	*			cis	-160.1	152.5	-8.4	44.4	0	0	0	0	108.7
792	G	31.1	Very low	33.5	Very low	65 Å²	65	119.7 Å²	119.7	67%	0.67	80%	0.801	S	S	*	*			cis	168.7	175.2	-3	0	0	0	0	0	112.8
793	N	37.6	Very low	33.3	Very low	165 Å²	165	119.2 Å²	119.2	88%	0.882	80%	0.798	S	S	*	*			trans	67.1	147.2	174.7	-57.7	-14.1	0	0	0	116.5
794	V	35	Very low	33.1	Very low	123 Å²	123	120.2 Å²	120.2	75%	0.745	80%	0.795	S	S	*	*			cis	-143.6	134.6	26.1	171.6	0	0	0	0	113
795	M	31.5	Very low	33.4	Very low	188 Å²	188	116.6 Å²	116.6	93%	0.926	79%	0.793	S	S	*	*			trans	54.4	130.3	149.4	-159	-175.8	-53.8	0	0	123.3
796	G	30.4	Very low	33.1	Very low	72 Å²	72	118.5 Å²	118.5	74%	0.742	78%	0.782	S	S	*	*			trans	138.8	114.3	143	0	0	0	0	0	118.4
797	S	28.2	Very low	33.2	Very low	131 Å²	131	122.4 Å²	122.4	92%	0.916	79%	0.793	S	S	*	*			trans	-4.5	140.1	162.5	-166.3	0	0	0	0	120.2
798	G	27.3	Very low	33.2	Very low	71 Å²	71	120.8 Å²	120.8	73%	0.732	78%	0.783	S	S	*	*			cis	153.3	116.5	-1.5	0	0	0	0	0	113
799	S	27.2	Very low	33.6	Very low	123 Å²	123	118.5 Å²	118.5	86%	0.86	78%	0.782	S	S	*	*			trans	-161.1	117.4	177.7	55.7	0	0	0	0	112.7
800	G	30.5	Very low	34.2	Very low	77 Å²	77	115.2 Å²	115.2	79%	0.794	77%	0.766	S	S	*	*			trans	-99.4	-175.9	147.4	0	0	0	0	0	108.6
801	A	34.3	Very low	35.3	Very low	84 Å²	84	116.6 Å²	116.6	69%	0.694	76%	0.757	S	S	*	*			cis	-174	161	10.3	0	0	0	0	0	105.9
802	D	34.4	Very low	36	Very low	158 Å²	158	113.2 Å²	113.2	85%	0.845	74%	0.736	S	S	*	*			cis	-149.1	174.5	-10	-87.4	-32.9	0	0	0	107.8
803	D	40.9	Very low	37.1	Very low	158 Å²	158	111.4 Å²	111.4	85%	0.845	71%	0.711	S	S	*	*			trans	-104.2	132.6	-180	-179.6	28.8	0	0	0	112.1
804	D	33.8	Very low	37.9	Very low	141 Å²	141	108.9 Å²	108.9	75%	0.754	70%	0.696	S	S	*	*			trans	-148	74.7	-172.2	-107.6	-29.7	0	0	0	113.1	W806	D804-W806 PolarHBondContact O-NE1 2.78Å
805	G	38.7	Very low	38.6	Very low	71 Å²	71	104.7 Å²	104.7	73%	0.732	67%	0.674	S	S	*	*			trans	59.7	69	136.6	0	0	0	0	0	120.6
806	W	33	Very low	39.5	Very low	159 Å²	159	97.7 Å²	97.7	60%	0.602	64%	0.642	S	S	*	*			trans	-133.6	123.5	163.2	-63.8	71.9	0	0	0	111.8	D804 R835	D804-W806 PolarHBondContact O-NE1 2.78Å; W806-R835 HydrophobicContact CE3-CG 4.41Å; W806-R835 VanDerWaalsContact CG-CZ 3.43Å
807	T	36.3	Very low	40.6	Very low	146 Å²	146	97.4 Å²	97.4	90%	0.896	63%	0.626	S	S	*	*			trans	-88.9	128.6	170.2	44.9	0	0	0	0	110.6
808	T	36.4	Very low	41.7	Very low	88 Å²	88	93.4 Å²	93.4	54%	0.54	60%	0.598	S	S	.	*			trans	-97.2	133.2	-169.1	-58.3	0	0	0	0	112.3
809	V	40.1	Very low	43.2	Very low	136 Å²	136	92.8 Å²	92.8	82%	0.824	58%	0.581	S	S	*	*			trans	-123.9	110.2	171.5	-177.7	0	0	0	0	108.8
810	G	44.6	Very low	44.7	Very low	48 Å²	48	92 Å²	92	50%	0.495	57%	0.571	S	S	.	*			trans	89.3	146.6	178.9	0	0	0	0	0	115.1
811	I	56.3	Low	45.5	Very low	94 Å²	94	93.1 Å²	93.1	48%	0.482	56%	0.562	S	S	.	*			trans	-137.2	135.5	178.2	-63.7	-179.6	0	0	0	108.1	I831	I811-I831 HydrophobicContact CG2-CG2 3.45Å; I811-I831 VanDerWaalsContact CG2-CG2 3.45Å
812	V	48.7	Very low	46.9	Very low	79 Å²	79	92.5 Å²	92.5	48%	0.479	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.3	130.2	172.6	-177.6	0	0	0	0	109.6	Y832	V812-Y832 PolarHBondContact N-O 3.29Å; V812-Y832 PolarHBondContact O-N 3.32Å
813	I	54.7	Low	47.4	Very low	28 Å²	28	92 Å²	92	14%	0.144	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.1	128	171	-62.6	176.8	0	0	0	108.3	I746 V748 V816 V829 I831	I746-I813 HydrophobicContact CG2-CD1 4.32Å; V748-I813 HydrophobicContact CG1-CD1 3.5Å; V748-I813 VanDerWaalsContact CG1-CD1 3.5Å; V748-I813 HydrophobicContact CG1-CG1 4.31Å; I813-V816 HydrophobicContact CG2-CG2 3.93Å; I813-V829 HydrophobicContact CD1-CG1 3.85Å; I813-V829 HydrophobicContact CG1-CG1 4.08Å; I813-V829 HydrophobicContact CG2-CG1 3.84Å; I813-I831 HydrophobicContact CG1-CG1 4.42Å
814	I	54.1	Low	47.2	Very low	111 Å²	111	86.6 Å²	86.6	57%	0.569	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	-35.5	179.1	-70.2	-170.3	0	0	0	112.2	I830 Y832	I814-I830 PolarHBondContact N-O 2.84Å; I814-Y832 HydrophobicContact CD1-CD1 3.95Å; I814-Y832 HydrophobicContact CD1-CD2 4.03Å; I814-Y832 HydrophobicContact CD1-CG 3.52Å; I814-Y832 HydrophobicContact CG1-CG 4.38Å
815	A	50.3	Low	47.9	Very low	35 Å²	35	83.2 Å²	83.2	29%	0.289	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	150.7	178.1	0	0	0	0	0	112.6	V817 I830	A815-V817 HydrophobicContact CB-CG2 4.25Å; A815-I830 HydrophobicContact CB-CB 4.39Å; A815-I830 HydrophobicContact CB-CD1 4.42Å; A815-I830 PolarHBondContact O-N 2.94Å
816	V	50.3	Low	48.2	Very low	42 Å²	42	83.3 Å²	83.3	26%	0.255	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	99.6	171.8	179.6	0	0	0	0	107.3	A739 I746 I813 W827 V829	A739-V816 HydrophobicContact CB-CG1 4.22Å; I746-V816 HydrophobicContact CD1-CG1 4.43Å; I746-V816 HydrophobicContact CD1-CG2 4.14Å; I813-V816 HydrophobicContact CG2-CG2 3.93Å; V816-W827 HydrophobicContact CG1-CE3 3.83Å; V816-W827 HydrophobicContact CG1-CZ3 4.4Å; V816-V829 HydrophobicContact CG1-CG2 4.31Å; V816-V829 HydrophobicContact CG2-CG1 4.3Å; V816-V829 HydrophobicContact CG2-CG2 4.26Å
817	V	53.3	Low	49.1	Very low	66 Å²	66	79.1 Å²	79.1	40%	0.4	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	131.8	-171.6	-177.3	0	0	0	0	110	A815 W827 V828 I830	A815-V817 HydrophobicContact CB-CG2 4.25Å; V817-W827 WeakPolarHBondContact O-CA 3.32Å; V817-V828 PolarHBondContact N-O 3.36Å; V817-V828 PolarHBondContact O-N 3.4Å; V817-I830 HydrophobicContact CG2-CD1 4.44Å
818	C	49.6	Very low	49.9	Very low	47 Å²	47	75.5 Å²	75.5	32%	0.318	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.9	171.8	-162.5	0	0	0	0	110.4	W827	C818-W827 HydrophobicContact CB-CD2 4.01Å; C818-W827 HydrophobicContact CB-CE3 3.67Å; C818-W827 HydrophobicContact CB-CH2 3.59Å; C818-W827 HydrophobicContact CB-CZ2 3.9Å; C818-W827 HydrophobicContact CB-CZ3 3.49Å; C818-W827 VanDerWaalsContact CB-CZ3 3.49Å
819	C	60.1	Low	50.3	Low	58 Å²	58	73.6 Å²	73.6	39%	0.392	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126	167.8	-66.1	0	0	0	0	108.9	V826	C819-V826 PolarHBondContact N-O 2.86Å; C819-V826 PolarHBondContact O-N 3.32Å
820	V	57.6	Low	51	Low	105 Å²	105	71.3 Å²	71.3	64%	0.636	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.8	173.8	-168.4	0	0	0	0	108.3	G822 L825	V820-G822 WeakPolarHBondContact CG1-O 3.26Å; V820-L825 HydrophobicContact CG1-CD2 4.39Å; V820-L825 HydrophobicContact CG2-CD2 3.81Å
821	V	47.9	Very low	51.1	Low	102 Å²	102	72.6 Å²	72.6	62%	0.618	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	106.7	174.9	-175.2	0	0	0	0	108.2	T823 S824	V821-T823 PolarHBondContact O-N 3.06Å; V821-S824 PolarHBondContact N-O 2.04Å; V821-S824 PolarHBondContact O-N 2.7Å
822	G	63.1	Low	50.8	Low	70 Å²	70	74 Å²	74	72%	0.722	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.7	-134	-168	0	0	0	0	0	111.3	V820 S824	V820-G822 WeakPolarHBondContact CG1-O 3.26Å; G822-S824 VanDerWaalsContact C-N 3.29Å; G822-S824 PolarHBondContact O-N 2.76Å
823	T	45.8	Very low	50.7	Low	148 Å²	148	74.7 Å²	74.7	91%	0.908	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	13.6	179.7	53.8	0	0	0	0	114.1	V821	V821-T823 PolarHBondContact O-N 3.06Å
824	S	36.2	Very low	50.1	Low	45 Å²	45	77.3 Å²	77.3	32%	0.315	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.8	-179.6	-80.9	0	0	0	0	113.7	R694 V821 G822	R694-S824 PolarHBondContact NH2-OG 2.92Å; V821-S824 PolarHBondContact N-O 2.04Å; V821-S824 PolarHBondContact O-N 2.7Å; G822-S824 VanDerWaalsContact C-N 3.29Å; G822-S824 PolarHBondContact O-N 2.76Å
825	L	48.5	Very low	49.3	Very low	69 Å²	69	79.1 Å²	79.1	36%	0.361	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	121.9	167.6	-54.9	-177	0	0	0	109.2	V820	V820-L825 HydrophobicContact CG1-CD2 4.39Å; V820-L825 HydrophobicContact CG2-CD2 3.81Å
826	V	46.3	Very low	48.6	Very low	74 Å²	74	89.1 Å²	89.1	45%	0.448	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.9	173.3	-178.4	0	0	0	0	107.9	C819	C819-V826 PolarHBondContact N-O 2.86Å; C819-V826 PolarHBondContact O-N 3.32Å
827	W	51.5	Low	47.7	Very low	70 Å²	70	98.1 Å²	98.1	27%	0.265	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.5	-177.7	-67.2	91.8	0	0	0	110.5	A740 L744 V816 V817 C818	A740-W827 HydrophobicContact CB-CH2 3.38Å; A740-W827 HydrophobicContact CB-CZ2 3.43Å; A740-W827 VanDerWaalsContact CB-CZ2 3.43Å; A740-W827 HydrophobicContact CB-CZ3 4.27Å; L744-W827 HydrophobicContact CD1-CB 4.5Å; L744-W827 HydrophobicContact CD1-CD2 3.58Å; L744-W827 HydrophobicContact CD1-CE3 3.99Å; L744-W827 HydrophobicContact CD1-CG 3.8Å; L744-W827 HydrophobicContact CD1-CZ2 4.22Å; L744-W827 HydrophobicContact CD1-CZ3 4.43Å; V816-W827 HydrophobicContact CG1-CE3 3.83Å; V816-W827 HydrophobicContact CG1-CZ3 4.4Å; V817-W827 WeakPolarHBondContact O-CA 3.32Å; C818-W827 HydrophobicContact CB-CD2 4.01Å; C818-W827 HydrophobicContact CB-CE3 3.67Å; C818-W827 HydrophobicContact CB-CH2 3.59Å; C818-W827 HydrophobicContact CB-CZ2 3.9Å; C818-W827 HydrophobicContact CB-CZ3 3.49Å; C818-W827 VanDerWaalsContact CB-CZ3 3.49Å
828	V	52.7	Low	46.6	Very low	71 Å²	71	101.2 Å²	101.2	43%	0.43	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	112	177.4	-177.4	0	0	0	0	108.6	V817 I830	V817-V828 PolarHBondContact N-O 3.36Å; V817-V828 PolarHBondContact O-N 3.4Å; V828-I830 HydrophobicContact CG1-CG1 4.32Å
829	V	45.3	Very low	45.8	Very low	48 Å²	48	106.1 Å²	106.1	29%	0.291	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	112.8	174.9	-177.8	0	0	0	0	108.5	I813 V816 I831	I813-V829 HydrophobicContact CD1-CG1 3.85Å; I813-V829 HydrophobicContact CG1-CG1 4.08Å; I813-V829 HydrophobicContact CG2-CG1 3.84Å; V816-V829 HydrophobicContact CG1-CG2 4.31Å; V816-V829 HydrophobicContact CG2-CG1 4.3Å; V816-V829 HydrophobicContact CG2-CG2 4.26Å; V829-I831 HydrophobicContact CG1-CG1 3.91Å; V829-I831 PolarHBondContact O-N 2.87Å
830	I	53.9	Low	44.3	Very low	88 Å²	88	110.3 Å²	110.3	45%	0.451	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.8	101.9	177.1	-60	176.8	0	0	0	108.2	I814 A815 V817 V828	I814-I830 PolarHBondContact N-O 2.84Å; A815-I830 HydrophobicContact CB-CB 4.39Å; A815-I830 HydrophobicContact CB-CD1 4.42Å; A815-I830 PolarHBondContact O-N 2.94Å; V817-I830 HydrophobicContact CG2-CD1 4.44Å; V828-I830 HydrophobicContact CG1-CG1 4.32Å
831	I	47.7	Very low	43	Very low	74 Å²	74	111.1 Å²	111.1	38%	0.379	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.1	134.6	177.2	-54.4	-178.2	0	0	0	109.1	I811 I813 V829	I811-I831 HydrophobicContact CG2-CG2 3.45Å; I811-I831 VanDerWaalsContact CG2-CG2 3.45Å; I813-I831 HydrophobicContact CG1-CG1 4.42Å; V829-I831 HydrophobicContact CG1-CG1 3.91Å; V829-I831 PolarHBondContact O-N 2.87Å
832	Y	50.3	Low	42.1	Very low	124 Å²	124	111.5 Å²	111.5	49%	0.486	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.3	119.9	177.6	-174.4	-101.9	0	0	0	111.2	V812 I814 T834	V812-Y832 PolarHBondContact N-O 3.29Å; V812-Y832 PolarHBondContact O-N 3.32Å; I814-Y832 HydrophobicContact CD1-CD1 3.95Å; I814-Y832 HydrophobicContact CD1-CD2 4.03Å; I814-Y832 HydrophobicContact CD1-CG 3.52Å; I814-Y832 HydrophobicContact CG1-CG 4.38Å; Y832-T834 HydrophobicContact CD1-CG2 3.87Å; Y832-T834 HydrophobicContact CE1-CG2 3.82Å
833	H	45.2	Very low	40.6	Very low	94 Å²	94	113.7 Å²	113.7	44%	0.435	58%	0.577	S	S	.	*			trans	-87.4	114.8	169.9	-66.7	-70.9	0	0	0	109.9	R835	H833-R835 VanDerWaalsContact C-N 3.27Å; H833-R835 PolarHBondContact O-N 3.16Å
834	T	42.2	Very low	39.8	Very low	82 Å²	82	112 Å²	112	50%	0.503	57%	0.566	S	S	.	*			trans	-72.3	73.9	177.1	46.6	0	0	0	0	112	Y832 R836	Y832-T834 HydrophobicContact CD1-CG2 3.87Å; Y832-T834 HydrophobicContact CE1-CG2 3.82Å; T834-R836 PolarHBondContact O-N 3.1Å
835	R	37.3	Very low	39.4	Very low	150 Å²	150	116 Å²	116	57%	0.566	58%	0.584	S	S	*	*			trans	-74.7	119.9	166.4	-68.4	-170.8	-178.5	-169.1	0.3	109.6	W806 H833	W806-R835 HydrophobicContact CE3-CG 4.41Å; W806-R835 VanDerWaalsContact CG-CZ 3.43Å; H833-R835 VanDerWaalsContact C-N 3.27Å; H833-R835 PolarHBondContact O-N 3.16Å
836	R	35.7	Very low	38.5	Very low	245 Å²	245	117.2 Å²	117.2	93%	0.925	59%	0.594	S	S	*	*			trans	-124.3	163.9	162.8	-116.1	-179.8	178.4	-170.5	-1.9	110.8	T834	T834-R836 PolarHBondContact O-N 3.1Å
837	R	31.5	Very low	37.6	Very low	231 Å²	231	120.6 Å²	120.6	87%	0.872	61%	0.61	S	S	*	*			trans	-141.5	147	-138	-165.5	-170.1	-149.6	174.6	5.4	109.7	E839	R837-E839 PolarHBondContact O-N 3.04Å
838	N	30.6	Very low	36.5	Very low	131 Å²	131	125.2 Å²	125.2	70%	0.701	64%	0.635	S	S	*	*			trans	-66.2	124.8	169.6	-97.4	58.3	0	0	0	110.9
839	E	32.1	Very low	35.4	Very low	150 Å²	150	126.9 Å²	126.9	70%	0.701	65%	0.645	S	S	*	*				57.3	108.2	129.2	-68.7	166	173.4	0	0	119.1	R837	R837-E839 PolarHBondContact O-N 3.04Å
840	D	29.4	Very low	34.7	Very low	146 Å²	146	131.9 Å²	131.9	78%	0.781	67%	0.67	S	S	*	*				125.7	152.3	109.1	-82.6	5.9	0	0	0	120.7
841	C	29.3	Very low	33.5	Very low	122 Å²	122	135.6 Å²	135.6	82%	0.824	69%	0.69	S	S	*	*			trans	61.6	80	168.8	-66.6	0	0	0	0	118.9
842	S	29.7	Very low	32.9	Very low	110 Å²	110	138.1 Å²	138.1	77%	0.769	71%	0.711	S	S	*	*			trans	-67.1	177.8	139.2	56.9	0	0	0	0	111.3
843	V	30.6	Very low	31.8	Very low	116 Å²	116	136.1 Å²	136.1	70%	0.703	72%	0.72	S	S	*	*			trans	158.7	53.6	160.7	169.1	0	0	0	0	121.6
844	T	29.3	Very low	31	Very low	111 Å²	111	138.1 Å²	138.1	68%	0.681	74%	0.735	S	S	*	*			trans	66.5	-179.4	157.5	69.6	0	0	0	0	118.7
845	N	27.9	Very low	30.5	Very low	130 Å²	130	141.4 Å²	141.4	70%	0.695	75%	0.747	S	S	*	*			cis	-158.2	167.8	11.4	-140	-4.2	0	0	0	117.4
846	T	29.3	Very low	30.7	Very low	94 Å²	94	139.5 Å²	139.5	58%	0.577	76%	0.755	S	S	*	*			trans	56	116.5	151.4	50.4	0	0	0	0	123.9
847	D	28.4	Very low	30.3	Very low	146 Å²	146	131.9 Å²	131.9	78%	0.781	74%	0.739	S	S	*	*				81.8	141.3	114	-58.2	-18.9	0	0	0	127
848	E	28	Very low	30.2	Very low	167 Å²	167	131.1 Å²	131.1	78%	0.78	74%	0.737	S	S	*	*			trans	69.5	108.6	143.2	-77.4	-160.4	164	0	0	125.5
849	T	30.6	Very low	30.1	Very low	106 Å²	106	131.9 Å²	131.9	65%	0.65	74%	0.741	S	S	*	*				91	146.8	126	68.5	0	0	0	0	123.6
850	N	29.6	Very low	30.1	Very low	153 Å²	153	130 Å²	130	82%	0.818	74%	0.744	S	S	*	*			trans	80.6	127.2	152	-63.1	-40.9	0	0	0	121.8
851	L	28.9	Very low	30.5	Very low	165 Å²	165	127.8 Å²	127.8	86%	0.864	74%	0.74	S	S	*	*			trans	-73.7	155.1	159.5	-74.4	157.1	0	0	0	110
852	P	34.1	Very low	30.6	Very low	127 Å²	127	131.1 Å²	131.1	83%	0.825	74%	0.744	S	S	*	*				-144.2	-172	90.6	40.3	-24.9	0	0	0	114.2
853	A	27.9	Very low	30.6	Very low	82 Å²	82	129.5 Å²	129.5	68%	0.678	74%	0.744	S	S	*	*			trans	-117.2	175.9	176.8	0	0	0	0	0	112.6
854	D	28.7	Very low	30.5	Very low	137 Å²	137	130.4 Å²	130.4	73%	0.733	75%	0.75	S	S	*	*			trans	75.7	118.4	156.7	-59.1	-31.1	0	0	0	122.4
855	I	31.9	Very low	30.5	Very low	151 Å²	151	132.5 Å²	132.5	77%	0.774	76%	0.756	S	S	*	*				44	120.8	119.2	-52.8	167.3	0	0	0	116.3
856	P	41.6	Very low	30.6	Very low	110 Å²	110	130.3 Å²	130.3	71%	0.714	76%	0.756	S	S	*	*				-158.4	163.4	72.2	44.5	-24.6	0	0	0	120.8
857	S	27.3	Very low	30.7	Very low	85 Å²	85	131.6 Å²	131.6	59%	0.594	76%	0.76	S	S	*	*			trans	31.9	139.2	141.7	68.8	0	0	0	0	123.9
858	Y	29.7	Very low	30.8	Very low	214 Å²	214	133.4 Å²	133.4	84%	0.839	76%	0.756	S	S	*	*				-177.9	121.8	110.2	-101.9	-77.7	0	0	0	107.9
859	L	28.7	Very low	30.9	Very low	147 Å²	147	132.2 Å²	132.2	77%	0.77	75%	0.75	S	S	*	*			cis	87.8	134.6	43.4	-128.6	-178.4	0	0	0	114.7
860	S	31.5	Very low	31	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	75%	0.754	S	S	*	*			trans	78	148.7	177.3	87.9	0	0	0	0	115.5
861	S	37	Very low	31	Very low	101 Å²	101	130.3 Å²	130.3	71%	0.706	75%	0.747	S	S	*	*			cis	-154.3	168.5	0.5	64.1	0	0	0	0	108.7
862	Q	32	Very low	30.9	Very low	191 Å²	191	133.1 Å²	133.1	89%	0.893	75%	0.748	S	S	*	*			cis	-138.9	167.9	7.1	-57.1	172.5	5	0	0	107.7
863	G	30.1	Very low	30.8	Very low	76 Å²	76	134 Å²	134	78%	0.784	74%	0.744	S	S	*	*			cis	-173.9	166.1	0.8	0	0	0	0	0	111.7
864	T	29	Very low	31.6	Very low	136 Å²	136	135.9 Å²	135.9	83%	0.834	75%	0.75	S	S	*	*			trans	-89.3	175.4	179.3	46.9	0	0	0	0	111.5
865	L	27.7	Very low	31.7	Very low	154 Å²	154	134.2 Å²	134.2	81%	0.806	75%	0.749	S	S	*	*			cis	-165.9	166.6	-3.9	-122.4	164.8	0	0	0	108.2
866	A	29.9	Very low	31.7	Very low	84 Å²	84	135.5 Å²	135.5	69%	0.694	75%	0.752	S	S	*	*			trans	65.9	167.8	159.2	0	0	0	0	0	117.3
867	D	31.7	Very low	31.3	Very low	122 Å²	122	135.3 Å²	135.3	65%	0.652	75%	0.752	S	S	*	*			cis	-146.5	158.9	0.4	-152.4	10	0	0	0	113.4
868	R	30.6	Very low	31.3	Very low	184 Å²	184	134.6 Å²	134.6	69%	0.694	76%	0.759	S	S	*	*			trans	41.4	126.7	147.8	-86.9	-179.6	158.3	104.9	-1.6	125.5
869	Q	30.4	Very low	31.2	Very low	141 Å²	141	129.6 Å²	129.6	66%	0.659	76%	0.755	S	S	*	*				65.8	146	125.2	-70.1	-175.8	-104.8	0	0	119.8
870	D	31.9	Very low	31.2	Very low	137 Å²	137	127.5 Å²	127.5	73%	0.733	75%	0.753	S	S	*	*			cis	-147.6	165.1	13.1	-99.6	-27.9	0	0	0	109.2
871	A	30.4	Very low	31.1	Very low	82 Å²	82	131 Å²	131	68%	0.678	76%	0.757	S	S	*	*			cis	-167.5	-176.5	-7.1	0	0	0	0	0	111.7
872	Y	27.4	Very low	30.6	Very low	224 Å²	224	134.6 Å²	134.6	88%	0.878	76%	0.762	S	S	*	*			trans	100.3	146.4	161.9	-102.1	-95.1	0	0	0	121.4
873	I	31.4	Very low	30.2	Very low	146 Å²	146	135.2 Å²	135.2	75%	0.749	76%	0.758	S	S	*	*			trans	-159.1	163.5	-152.3	-82	156.3	0	0	0	106.6
874	P	45	Very low	30	Very low	121 Å²	121	138.9 Å²	138.9	79%	0.786	76%	0.758	S	S	*	*			cis	-114.1	-158.7	-1.6	37	-17.7	0	0	0	111.4
875	S	30.8	Very low	29.8	Very low	102 Å²	102	136.4 Å²	136.4	71%	0.713	75%	0.751	S	S	*	*			cis	-148	146.3	7.3	51.1	0	0	0	0	108.9
876	E	32.6	Very low	29.7	Very low	179 Å²	179	134.3 Å²	134.3	84%	0.836	75%	0.749	S	S	*	*				51.1	139.1	77.1	-76.8	-163.2	-167.1	0	0	116.2
877	S	31.7	Very low	29.6	Very low	105 Å²	105	135 Å²	135	73%	0.734	75%	0.749	S	S	*	*			cis	-169.1	157.2	-10.1	48.8	0	0	0	0	114.1
878	G	27.3	Very low	29.3	Very low	71 Å²	71	139.6 Å²	139.6	73%	0.732	76%	0.759	S	S	*	*			trans	72.3	173.3	156.4	0	0	0	0	0	120.4
879	S	29	Very low	29.2	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	76%	0.763	S	S	*	*			cis	-177.3	144.9	-30.6	46.9	0	0	0	0	113.2
880	S	28.6	Very low	29	Very low	102 Å²	102	132.9 Å²	132.9	71%	0.713	77%	0.768	S	S	*	*			trans	58.2	135.3	147.5	61.8	0	0	0	0	124.2
881	H	27.8	Very low	28.7	Very low	184 Å²	184	135.6 Å²	135.6	85%	0.852	77%	0.773	S	S	*	*			trans	23.9	125.3	146	-59.9	-72.3	0	0	0	121.9
882	Q	26.7	Very low	28.5	Very low	176 Å²	176	141.7 Å²	141.7	82%	0.822	78%	0.78	S	S	*	*				175.8	151.4	97.5	-95.8	-165.5	-17.2	0	0	114.6
883	Y	25	Very low	28.4	Very low	205 Å²	205	137.4 Å²	137.4	80%	0.804	77%	0.772	S	S	*	*			trans	22	153	145.3	-91.8	-85.3	0	0	0	125.3
884	I	25	Very low	28.1	Very low	152 Å²	152	138.7 Å²	138.7	78%	0.779	77%	0.774	S	S	*	*			trans	86.5	100	158.2	-65.4	158.3	0	0	0	118.5
885	A	24.9	Very low	27.2	Very low	84 Å²	84	140 Å²	140	69%	0.694	78%	0.78	S	S	*	*			trans	30.5	138.5	131.9	0	0	0	0	0	123.8
886	S	25.7	Very low	27.2	Very low	110 Å²	110	143.4 Å²	143.4	77%	0.769	78%	0.782	S	S	*	*			trans	92.9	152.6	132.9	81.4	0	0	0	0	121.4
887	S	27.4	Very low	27.1	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	77%	0.772	S	S	*	*			trans	95.3	119.4	151.7	77.1	0	0	0	0	120.9
888	Y	25.7	Very low	26.9	Very low	219 Å²	219	144.3 Å²	144.3	86%	0.859	78%	0.781	S	S	*	*			trans	55.1	115.6	132.2	-78.7	-96.9	0	0	0	122.6
889	S	28.8	Very low	26.9	Very low	110 Å²	110	148.6 Å²	148.6	77%	0.769	79%	0.787	S	S	*	*				26.8	133.5	129	65.3	0	0	0	0	121.8
890	G	25.3	Very low	26.8	Very low	74 Å²	74	146.7 Å²	146.7	76%	0.763	79%	0.785	S	S	*	*			trans	-168.6	121.4	159.9	0	0	0	0	0	114.7
891	F	27	Very low	26.7	Very low	194 Å²	194	149.7 Å²	149.7	85%	0.851	79%	0.792	S	S	*	*			trans	-52.7	153.5	169	-69.4	-107.1	0	0	0	112
892	Y	25.5	Very low	26.5	Very low	209 Å²	209	145.7 Å²	145.7	82%	0.82	78%	0.783	S	S	*	*				-179.8	171.7	76.2	-117.1	-73	0	0	0	115.3
893	L	25.3	Very low	26.5	Very low	135 Å²	135	145.9 Å²	145.9	71%	0.707	79%	0.785	S	S	*	*			trans	80.7	110.6	148.3	-79.4	166.9	0	0	0	121.9
894	Q	24.7	Very low	26.5	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.804	79%	0.791	S	S	*	*			trans	1.9	142.2	132	-62.2	174.5	-31.4	0	0	120
895	T	27.3	Very low	26.5	Very low	148 Å²	148	144.2 Å²	144.2	91%	0.908	79%	0.79	S	S	*	*			trans	-128.5	159.2	141.3	52	0	0	0	0	109.6
896	K	30.2	Very low	26.6	Very low	174 Å²	174	146.7 Å²	146.7	76%	0.757	80%	0.797	S	S	*	*			trans	-149.1	137.3	-179	-156.9	-177.4	-170.2	-72.3	0	111.6
897	D	31.2	Very low	26.6	Very low	117 Å²	117	145.5 Å²	145.5	63%	0.626	80%	0.802	S	S	*	*			trans	35	130.1	162.8	-49.3	-13.5	0	0	0	122
898	M	26.4	Very low	26.7	Very low	187 Å²	187	146.5 Å²	146.5	92%	0.921	81%	0.809	S	S	*	*				-152.4	151.6	129.5	-105.2	-60.3	-178.2	0	0	110.4
899	N	27.6	Very low	26.8	Very low	160 Å²	160	145.7 Å²	145.7	86%	0.856	81%	0.813	S	S	*	*			trans	-99.8	163	-167.1	-67.4	-57.8	0	0	0	114.5
900	G	26.4	Very low	26.9	Very low	69 Å²	69	144.7 Å²	144.7	71%	0.711	81%	0.811	S	S	*	*			trans	-168.6	70	176.7	0	0	0	0	0	119.4
901	L	26.6	Very low	27	Very low	165 Å²	165	149.6 Å²	149.6	86%	0.864	82%	0.82	S	S	*	*			trans	66.2	115.3	143.3	-66.5	161.3	0	0	0	123.6
902	C	24.6	Very low	27	Very low	100 Å²	100	148.8 Å²	148.8	68%	0.676	82%	0.821	S	S	*	*				70.9	114.7	127.1	-72	0	0	0	0	125
903	Q	25.3	Very low	27	Very low	181 Å²	181	148.3 Å²	148.3	85%	0.846	83%	0.826	S	S	*	*			trans	62.6	120.5	130.5	-70	178.4	-80.9	0	0	121.8
904	L	26.5	Very low	27.1	Very low	181 Å²	181	146.2 Å²	146.2	95%	0.948	83%	0.828	S	S	*	*			trans	-127.4	151.7	148.4	-84.7	164.5	0	0	0	108.1
905	D	25.4	Very low	27.1	Very low	141 Å²	141	142.3 Å²	142.3	75%	0.754	83%	0.825	S	S	*	*			trans	-150	150.8	174.2	-161.4	-2.2	0	0	0	110.7
906	T	26.4	Very low	27.1	Very low	136 Å²	136	142.7 Å²	142.7	83%	0.834	82%	0.82	S	S	*	*			trans	63	139.4	-178.9	70.4	0	0	0	0	117.3
907	G	25.4	Very low	26.8	Very low	85 Å²	85	140.6 Å²	140.6	88%	0.876	82%	0.818	S	S	*	*			trans	138.7	29.5	166.3	0	0	0	0	0	119.1
908	S	29.7	Very low	27.2	Very low	120 Å²	120	140.4 Å²	140.4	84%	0.839	82%	0.822	S	S	*	*			trans	-94.3	114.4	175.6	58.4	0	0	0	0	112.9
909	E	27	Very low	27.3	Very low	202 Å²	202	137.6 Å²	137.6	94%	0.944	81%	0.811	S	S	*	*			trans	-84.2	163	153	-85.4	-175.9	137	0	0	110.3
910	A	30.3	Very low	27.1	Very low	89 Å²	89	137.6 Å²	137.6	74%	0.736	81%	0.81	S	S	*	*			trans	-128.6	140.9	-163.2	0	0	0	0	0	113.2
911	D	27.5	Very low	26.9	Very low	177 Å²	177	139.4 Å²	139.4	95%	0.947	81%	0.81	S	S	*	*			trans	-89.5	138.6	157.2	-77.8	-49.9	0	0	0	109.8
912	M	27.3	Very low	26.8	Very low	176 Å²	176	139.7 Å²	139.7	87%	0.867	81%	0.807	S	S	*	*			trans	-150	116.9	-178.1	-173.2	-160.5	-47.4	0	0	109.9
913	E	25.5	Very low	26.8	Very low	199 Å²	199	144.7 Å²	144.7	93%	0.93	81%	0.813	S	S	*	*			trans	-147.9	150.4	165.9	-140.5	172.5	-140.9	0	0	111.4
914	A	27.3	Very low	26.7	Very low	91 Å²	91	145.3 Å²	145.3	75%	0.752	82%	0.816	S	S	*	*			trans	-161.2	172.2	-168.9	0	0	0	0	0	112.1
915	A	26.2	Very low	26.7	Very low	90 Å²	90	139.8 Å²	139.8	74%	0.744	80%	0.803	S	S	*	*			trans	71.5	142.3	-175.9	0	0	0	0	0	114.9
916	I	25.9	Very low	27.5	Very low	156 Å²	156	138.9 Å²	138.9	80%	0.8	81%	0.805	S	S	*	*			cis	109.8	117.9	13.5	-67.9	166.4	0	0	0	113.8
917	D	25.5	Very low	27.6	Very low	131 Å²	131	140.1 Å²	140.1	70%	0.701	81%	0.805	S	S	*	*			trans	66.9	157.7	169.4	-116.9	-28.5	0	0	0	116.5	L919	D917-L919 PolarHBondContact OD1-N 3.06Å
918	P	38.7	Very low	27.6	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	80%	0.8	S	S	*	*				-140.8	136.2	51.6	37.8	-16.9	0	0	0	119.2
919	L	27.6	Very low	27.4	Very low	129 Å²	129	139.2 Å²	139.2	68%	0.675	80%	0.796	S	S	*	*				72.1	133.5	127.6	-86.3	65.1	0	0	0	123.9	D917	D917-L919 PolarHBondContact OD1-N 3.06Å
920	L	24.9	Very low	27.4	Very low	160 Å²	160	137.4 Å²	137.4	84%	0.838	79%	0.792	S	S	*	*			trans	94.3	145.1	138	-114.9	79.7	0	0	0	122.6
921	C	21.7	Very low	27.2	Very low	106 Å²	106	140.5 Å²	140.5	72%	0.716	80%	0.796	S	S	*	*			trans	-124.2	142.1	-178.2	-49.8	0	0	0	0	111
922	H	23.6	Very low	27	Very low	171 Å²	171	137.1 Å²	137.1	79%	0.792	79%	0.785	S	S	*	*				-177.9	128.6	114.9	-106.8	-69.6	0	0	0	114.5
923	Y	24.6	Very low	26.8	Very low	205 Å²	205	138.8 Å²	138.8	80%	0.804	78%	0.781	S	S	*	*			trans	30.9	119.8	137.3	-89	-110.2	0	0	0	120.7
924	Q	23.7	Very low	26.8	Very low	194 Å²	194	134.7 Å²	134.7	91%	0.907	77%	0.766	S	S	*	*				-159.5	131.7	93.4	-101	176.7	8.4	0	0	111.9
925	G	26.6	Very low	26.7	Very low	66 Å²	66	137.1 Å²	137.1	68%	0.68	77%	0.772	S	S	*	*			trans	-107.2	-158.2	158.5	0	0	0	0	0	109.6
926	P	42.6	Very low	26.8	Very low	122 Å²	122	140.3 Å²	140.3	79%	0.792	78%	0.775	S	S	*	*			cis	-129.5	-167.7	6.7	40.3	-20.7	0	0	0	111.9
927	I	28.9	Very low	26.8	Very low	162 Å²	162	143.3 Å²	143.3	83%	0.831	78%	0.778	S	S	*	*			cis	-144.2	153.6	-5.9	-132.6	152.8	0	0	0	107.3
928	G	25.6	Very low	27.2	Very low	75 Å²	75	143.1 Å²	143.1	77%	0.773	78%	0.784	S	S	*	*			trans	-106.6	159.2	-176.5	0	0	0	0	0	115.3
929	S	24.6	Very low	26.7	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	79%	0.787	S	S	*	*			trans	-147.6	107.8	171.3	61.8	0	0	0	0	112.2
930	L	27.3	Very low	26.7	Very low	164 Å²	164	144 Å²	144	86%	0.859	79%	0.792	S	S	*	*			trans	-162	132	160.4	-88.7	122.6	0	0	0	105.3
931	L	25.6	Very low	27.1	Very low	154 Å²	154	142.4 Å²	142.4	81%	0.806	79%	0.791	S	S	*	*			cis	95.9	146	49.1	-85.8	165.4	0	0	0	113.4
932	C	23.4	Very low	27.4	Very low	107 Å²	107	142.7 Å²	142.7	72%	0.723	79%	0.794	S	S	*	*			trans	-48.6	154.6	-170.2	-44.8	0	0	0	0	116.4
933	R	24.1	Very low	27.6	Very low	210 Å²	210	143.1 Å²	143.1	79%	0.792	80%	0.797	S	S	*	*				-167.7	150.8	94.5	-97.6	-177.3	107.9	143.8	3.6	115
934	D	25.3	Very low	27.7	Very low	113 Å²	113	139.7 Å²	139.7	60%	0.604	80%	0.797	S	S	*	*			trans	36.2	121.4	140.7	-48.1	-8.1	0	0	0	120.6
935	T	24.6	Very low	27.9	Very low	143 Å²	143	140.1 Å²	140.1	88%	0.877	80%	0.796	S	S	*	*			trans	-133.3	130.5	156.2	52.3	0	0	0	0	110.1
936	I	27.8	Very low	27.9	Very low	156 Å²	156	141.5 Å²	141.5	80%	0.8	80%	0.801	S	S	*	*			trans	-107.3	159.5	-178.4	-73.9	175.9	0	0	0	110.5
937	Y	26.3	Very low	27.1	Very low	220 Å²	220	139 Å²	139	86%	0.863	80%	0.798	S	S	*	*			trans	-40.6	141.1	-175.7	-65.1	-95.3	0	0	0	117.3
938	P	34.4	Very low	26.9	Very low	127 Å²	127	141.2 Å²	141.2	83%	0.825	80%	0.802	S	S	*	*			trans	-82.7	155.3	154.5	35.4	-32.6	0	0	0	111.9
939	S	28.3	Very low	27	Very low	115 Å²	115	142.3 Å²	142.3	80%	0.804	80%	0.797	S	S	*	*			trans	-104.5	165.1	179.7	54.3	0	0	0	0	113.8
940	D	27.2	Very low	27.1	Very low	144 Å²	144	144.3 Å²	144.3	77%	0.77	80%	0.798	S	S	*	*			trans	-54.7	142.6	-176	-65.3	-59.3	0	0	0	115.1
941	P	33.2	Very low	27.2	Very low	126 Å²	126	142.4 Å²	142.4	82%	0.818	79%	0.788	S	S	*	*			trans	-91	141.3	158.7	35.3	-30.4	0	0	0	111.8
942	S	27.1	Very low	27.3	Very low	112 Å²	112	144 Å²	144	78%	0.783	79%	0.791	S	S	*	*			trans	-110.2	140.7	171.6	57	0	0	0	0	111.9
943	E	28.2	Very low	27.6	Very low	181 Å²	181	147.2 Å²	147.2	85%	0.846	79%	0.793	S	S	*	*			trans	-67.8	140.1	-176	-59.2	177.5	134.8	0	0	113.3
944	V	27.5	Very low	28.3	Very low	133 Å²	133	143.2 Å²	143.2	81%	0.806	80%	0.795	S	S	*	*			trans	-133.4	121.6	162.1	177.2	0	0	0	0	108.7
945	F	27.4	Very low	28.5	Very low	202 Å²	202	144.3 Å²	144.3	89%	0.886	81%	0.805	S	S	*	*			trans	-83.7	116	172.1	-100.2	-94.7	0	0	0	110.6
946	A	27.7	Very low	28.7	Very low	96 Å²	96	141.2 Å²	141.2	79%	0.793	80%	0.802	S	S	*	*			trans	-144.8	123.4	158.1	0	0	0	0	0	108.1
947	G	24	Very low	28.7	Very low	70 Å²	70	142.4 Å²	142.4	72%	0.722	81%	0.806	S	S	*	*			trans	-107.2	153.7	-179.3	0	0	0	0	0	112
948	F	26.2	Very low	28.7	Very low	208 Å²	208	141.5 Å²	141.5	91%	0.912	81%	0.81	S	S	*	*			trans	-131.6	127.2	157.1	-99.2	-81.9	0	0	0	109.6
949	S	26.1	Very low	28.4	Very low	97 Å²	97	140 Å²	140	68%	0.678	80%	0.802	S	S	*	*			trans	-95.1	143.2	162.7	-174.9	0	0	0	0	108.4
950	I	28.4	Very low	28.4	Very low	152 Å²	152	144.6 Å²	144.6	78%	0.779	80%	0.803	S	S	*	*			trans	-129	108.8	159.2	-63.1	-177.3	0	0	0	107
951	D	28	Very low	28.4	Very low	125 Å²	125	143 Å²	143	67%	0.668	80%	0.804	S	S	*	*			trans	-66.4	138.6	170.7	-85.4	-77	0	0	0	111.1
952	Q	27.6	Very low	28.1	Very low	186 Å²	186	140.5 Å²	140.5	87%	0.869	80%	0.801	S	S	*	*			trans	-133.2	103.5	144.8	-73.6	-161.1	-3.1	0	0	110.3
953	K	30.3	Very low	28.1	Very low	176 Å²	176	140.7 Å²	140.7	77%	0.765	80%	0.802	S	S	*	*			trans	-76	154.5	158.2	-68.9	178.5	179.4	172	0	109.3
954	P	37.9	Very low	28.3	Very low	126 Å²	126	139.6 Å²	139.6	82%	0.818	80%	0.801	S	S	*	*				-114.4	160.8	123.7	33.1	-33	0	0	0	111.9
955	V	31.3	Very low	28.3	Very low	135 Å²	135	140 Å²	140	82%	0.818	80%	0.804	S	S	*	*			trans	-94.5	136.9	174.8	174.8	0	0	0	0	109.2
956	G	27	Very low	28.4	Very low	79 Å²	79	139.8 Å²	139.8	81%	0.814	80%	0.803	S	S	*	*			trans	-141.2	125.2	166.6	0	0	0	0	0	108.9
957	M	28.1	Very low	29.4	Very low	180 Å²	180	140.3 Å²	140.3	89%	0.887	80%	0.798	S	S	*	*			trans	-140.7	109.5	-171	180	-178.6	-174.2	0	0	109.5
958	E	27.9	Very low	29.6	Very low	201 Å²	201	146.4 Å²	146.4	94%	0.939	81%	0.805	S	S	*	*			trans	-154.9	172	166.6	-128.2	167.6	-139.2	0	0	111
959	S	27.9	Very low	29.8	Very low	95 Å²	95	142.7 Å²	142.7	66%	0.664	80%	0.8	S	S	*	*			trans	-146.8	155.4	-158	58.4	0	0	0	0	112.9
960	Y	27.4	Very low	29.8	Very low	212 Å²	212	147 Å²	147	83%	0.831	81%	0.811	S	S	*	*				171.8	141.1	123.7	-110.3	-98.2	0	0	0	114.9
961	S	28.1	Very low	29.8	Very low	111 Å²	111	146.4 Å²	146.4	78%	0.776	81%	0.81	S	S	*	*			trans	32.9	141	147.9	63.1	0	0	0	0	124.8
962	G	26.2	Very low	29.8	Very low	74 Å²	74	148.3 Å²	148.3	76%	0.763	82%	0.818	S	S	*	*			trans	151.3	65.1	155	0	0	0	0	0	116.2
963	S	27.1	Very low	29.8	Very low	115 Å²	115	146.9 Å²	146.9	80%	0.804	82%	0.816	S	S	*	*				77.2	104.8	98.2	-171.2	0	0	0	0	118.2
964	L	31.3	Very low	30.7	Very low	158 Å²	158	143.5 Å²	143.5	83%	0.827	81%	0.812	S	S	*	*			trans	9.4	128.1	142.5	-70.2	156.3	0	0	0	120.4
965	T	27.7	Very low	30.3	Very low	143 Å²	143	142.3 Å²	142.3	88%	0.877	81%	0.806	S	S	*	*				-160.1	129.4	118.8	37.7	0	0	0	0	113.8
966	K	30.7	Very low	30.1	Very low	197 Å²	197	143.6 Å²	143.6	86%	0.857	80%	0.803	S	S	*	*			trans	-111.7	177.7	139.8	-82.8	-172.3	176.5	-178.5	0	106.1
967	P	48.9	Very low	30.3	Very low	107 Å²	107	146.4 Å²	146.4	70%	0.695	80%	0.795	S	S	*	*			cis	-135.3	-179.4	2.9	33.7	-12.3	0	0	0	114.8
968	K	27.6	Very low	30.4	Very low	198 Å²	198	146.5 Å²	146.5	86%	0.861	79%	0.787	S	S	*	*				175.6	163.1	110.5	-95.2	-172.8	179.1	-177.3	0	114
969	T	30.7	Very low	30.4	Very low	130 Å²	130	143.1 Å²	143.1	80%	0.798	78%	0.775	S	S	*	*			trans	-100.6	158.8	179.3	45.5	0	0	0	0	111.9
970	M	25.2	Very low	30.6	Very low	187 Å²	187	144.3 Å²	144.3	92%	0.921	78%	0.778	S	S	*	*			trans	-156.8	136.4	148.5	-148.8	158.5	-170.8	0	0	110.8
971	D	28.8	Very low	30.6	Very low	140 Å²	140	139.2 Å²	139.2	75%	0.749	77%	0.772	S	S	*	*			trans	-94.4	168.6	176.8	-61.6	-80.2	0	0	0	112
972	I	27.7	Very low	31.2	Very low	165 Å²	165	139.9 Å²	139.9	85%	0.846	77%	0.774	S	S	*	*			trans	149.1	128.3	135.7	-75.9	160.3	0	0	0	112.6
973	L	28.6	Very low	31.9	Very low	156 Å²	156	141.8 Å²	141.8	82%	0.817	77%	0.773	S	S	*	*			trans	-97.7	175.2	170.4	-89.7	164.8	0	0	0	109.2
974	P	48.5	Very low	31.9	Very low	105 Å²	105	142.2 Å²	142.2	68%	0.682	78%	0.776	S	S	*	*			cis	-152	-177.9	30.4	41.6	-19.1	0	0	0	119.3
975	S	28.7	Very low	31.8	Very low	101 Å²	101	142.8 Å²	142.8	71%	0.706	78%	0.779	S	S	*	*			trans	68.5	153.5	142.4	70.1	0	0	0	0	119.7
976	E	27.9	Very low	31.9	Very low	162 Å²	162	142 Å²	142	76%	0.757	77%	0.773	S	S	*	*			cis	-135	143.9	5.1	-67.8	-175.5	137.9	0	0	110
977	H	31.1	Very low	31.7	Very low	138 Å²	138	141 Å²	141	64%	0.639	77%	0.774	S	S	*	*				60.6	147.5	109.6	-62.8	-10.5	0	0	0	117.6
978	Y	31.3	Very low	30.7	Very low	181 Å²	181	143.8 Å²	143.8	71%	0.71	78%	0.778	S	S	*	*			cis	-168.9	172.8	4	-106.7	-28.3	0	0	0	106.9
979	D	28	Very low	30.8	Very low	131 Å²	131	142.5 Å²	142.5	70%	0.701	78%	0.779	S	S	*	*			cis	-172.6	170.7	-29	-133.9	27.6	0	0	0	106
980	V	30.8	Very low	31.3	Very low	119 Å²	119	142 Å²	142	72%	0.721	78%	0.779	S	S	*	*			cis	-158.2	178.3	-3.9	80.3	0	0	0	0	109.1
981	C	28.5	Very low	31.6	Very low	105 Å²	105	140.4 Å²	140.4	71%	0.709	77%	0.774	S	S	*	*			trans	-81.1	-162.7	175.3	-60.7	0	0	0	0	114.4
982	P	38.9	Very low	31.7	Very low	125 Å²	125	139.6 Å²	139.6	81%	0.812	77%	0.774	S	S	*	*				-133	158.4	111.9	37.8	-31.3	0	0	0	114.7
983	P	41.6	Very low	31.8	Very low	115 Å²	115	136.4 Å²	136.4	75%	0.747	77%	0.767	S	S	*	*			trans	-108.7	176.8	-169.6	41.9	-35.7	0	0	0	115
984	S	28.1	Very low	31.9	Very low	123 Å²	123	135.8 Å²	135.8	86%	0.86	76%	0.763	S	S	*	*			trans	-99.2	147.4	163.9	-60.9	0	0	0	0	111
985	L	28.4	Very low	30.9	Very low	170 Å²	170	137 Å²	137	89%	0.89	76%	0.764	S	S	*	*			trans	-144.2	158.8	174.2	-119.4	168.2	0	0	0	111.8
986	V	30.4	Very low	30.8	Very low	126 Å²	126	140.6 Å²	140.6	76%	0.764	77%	0.769	S	S	*	*			trans	-128.3	138.6	-168.4	171.5	0	0	0	0	109.1
987	M	26.8	Very low	30.8	Very low	176 Å²	176	139.7 Å²	139.7	87%	0.867	77%	0.77	S	S	*	*			trans	-169.4	178.7	138.7	-112.6	-176.5	177.5	0	0	115.5
988	Q	27.8	Very low	31.3	Very low	166 Å²	166	139 Å²	139	78%	0.776	78%	0.777	S	S	*	*			trans	-93.7	174.7	-165.2	-59	149.5	-58.8	0	0	113.4
989	L	29.4	Very low	31.2	Very low	171 Å²	171	134.1 Å²	134.1	90%	0.895	78%	0.775	S	S	*	*			trans	-136.6	137.8	170	-76.7	172.2	0	0	0	111.9
990	P	41.6	Very low	32.1	Very low	121 Å²	121	132.7 Å²	132.7	79%	0.786	77%	0.773	S	S	*	*			trans	-113	175	164.4	38.8	-29.7	0	0	0	113.6
991	N	29.8	Very low	31.9	Very low	153 Å²	153	134.6 Å²	134.6	82%	0.818	77%	0.774	S	S	*	*			trans	-70.9	172	177.5	-59.1	-37	0	0	0	112.7
992	T	31.8	Very low	31.8	Very low	122 Å²	122	136.9 Å²	136.9	75%	0.748	77%	0.774	S	S	*	*			cis	-162.7	157.8	19.3	-23.8	0	0	0	0	113.4
993	S	30.1	Very low	31.2	Very low	99 Å²	99	140.9 Å²	140.9	69%	0.692	77%	0.773	S	S	*	*			trans	89.3	135.7	134.5	74.6	0	0	0	0	124.7
994	L	29.8	Very low	30.5	Very low	142 Å²	142	141.3 Å²	141.3	74%	0.743	77%	0.769	S	S	*	*			trans	89.9	120.3	140.5	-79.8	160.5	0	0	0	123.2
995	N	28.3	Very low	30.6	Very low	131 Å²	131	144.8 Å²	144.8	70%	0.701	76%	0.763	S	S	*	*			trans	69.9	145.2	157	-63.1	-18.3	0	0	0	118.1
996	Q	26.8	Very low	30.6	Very low	176 Å²	176	142.9 Å²	142.9	82%	0.822	75%	0.75	S	S	*	*			cis	-148	157.5	6.7	-136.8	160.7	16.8	0	0	112.5
997	D	28.4	Very low	30.4	Very low	143 Å²	143	142.5 Å²	142.5	77%	0.765	75%	0.748	S	S	*	*			trans	-61.8	157.5	171.3	-114.5	-52.4	0	0	0	112.3
998	P	40.6	Very low	30.4	Very low	123 Å²	123	139.7 Å²	139.7	80%	0.799	74%	0.741	S	S	*	*				-151.7	153.8	66.1	40.7	-20.8	0	0	0	119.4
999	A	28.7	Very low	30.6	Very low	79 Å²	79	135.7 Å²	135.7	65%	0.653	74%	0.736	S	S	*	*			trans	-86.7	173.7	151.6	0	0	0	0	0	110.3
1000	P	46.7	Very low	30.5	Very low	102 Å²	102	134.3 Å²	134.3	66%	0.662	73%	0.73	S	S	*	*				-159.4	-177.8	57	46.8	-25.6	0	0	0	118.5
1001	Q	26.7	Very low	29.9	Very low	158 Å²	158	136.9 Å²	136.9	74%	0.738	73%	0.731	S	S	*	*			trans	64.8	159.3	153.9	-69.5	163.8	18.1	0	0	118.3
1002	Q	27	Very low	30	Very low	153 Å²	153	137.8 Å²	137.8	72%	0.715	73%	0.731	S	S	*	*			cis	-149.5	133.2	-13.8	-113.9	158.4	2.8	0	0	106.6
1003	R	26.4	Very low	29.8	Very low	209 Å²	209	139 Å²	139	79%	0.789	73%	0.733	S	S	*	*				51.5	108	89.2	-170	-156.8	-92.6	-164	-6	116.1
1004	D	27.1	Very low	29.7	Very low	125 Å²	125	137.7 Å²	137.7	67%	0.668	73%	0.727	S	S	*	*				-174.1	142.9	122.1	-98	-16.4	0	0	0	108.8
1005	R	29.1	Very low	29.6	Very low	195 Å²	195	141 Å²	141	74%	0.736	74%	0.736	S	S	*	*				70.8	139.2	64.5	-82.7	-176.4	147.6	176.7	-2	113.8
1006	Q	28.3	Very low	29.5	Very low	130 Å²	130	140.8 Å²	140.8	61%	0.607	74%	0.735	S	S	*	*			cis	-169.8	144	-12.2	-145.3	-179.3	-79.4	0	0	110.1
1007	T	27	Very low	29.4	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	74%	0.735	S	S	*	*			trans	57.9	167.8	158.4	40.4	0	0	0	0	117.8
1008	T	26.3	Very low	29.3	Very low	118 Å²	118	134.3 Å²	134.3	72%	0.724	73%	0.728	S	S	*	*			cis	-119.6	168.9	-0.2	55.9	0	0	0	0	109.8
1009	A	32.9	Very low	28.8	Very low	81 Å²	81	137.4 Å²	137.4	67%	0.669	73%	0.729	S	S	*	*			cis	85.5	99.1	14.3	0	0	0	0	0	117.3
1010	D	27.5	Very low	29.4	Very low	143 Å²	143	138.6 Å²	138.6	77%	0.765	73%	0.73	S	S	*	*			trans	-146.9	120.1	155.8	-69.5	-49.5	0	0	0	103.9
1011	E	29.6	Very low	28.6	Very low	175 Å²	175	142.9 Å²	142.9	82%	0.818	74%	0.741	S	S	*	*				78.9	144.2	71.7	-75.4	-170.2	-174.7	0	0	114.7
1012	E	31.2	Very low	28.6	Very low	172 Å²	172	144.5 Å²	144.5	80%	0.804	75%	0.746	S	S	*	*			cis	-160.5	-156.1	-41.8	-138.7	-179.9	-168	0	0	109.9
1013	D	28.3	Very low	28.5	Very low	148 Å²	148	143.4 Å²	143.4	79%	0.791	75%	0.754	S	S	*	*			trans	72.7	140.6	163.9	-75.8	-16.2	0	0	0	121.5
1014	A	27	Very low	28.6	Very low	70 Å²	70	139.7 Å²	139.7	58%	0.579	75%	0.754	S	S	*	*			cis	-166.6	169	-16.3	0	0	0	0	0	114
1015	F	27.2	Very low	29.7	Very low	212 Å²	212	139.1 Å²	139.1	93%	0.93	76%	0.757	S	S	*	*			trans	88.4	148.7	161.1	-75.8	-77.6	0	0	0	121.8
1016	D	26.7	Very low	30.4	Very low	126 Å²	126	135 Å²	135	67%	0.674	76%	0.755	S	S	*	*			trans	-151.1	-179.1	-148.7	-179.7	30.7	0	0	0	111.4
1017	C	23.9	Very low	30.6	Very low	123 Å²	123	138.5 Å²	138.5	83%	0.831	76%	0.764	S	S	*	*			trans	104.2	122.2	169.1	-63.5	0	0	0	0	116.2
1018	G	26.7	Very low	30.8	Very low	60 Å²	60	138.7 Å²	138.7	62%	0.619	76%	0.761	S	S	*	*			cis	158.9	122.7	-19	0	0	0	0	0	117.2
1019	K	30.7	Very low	31	Very low	189 Å²	189	138.5 Å²	138.5	82%	0.822	76%	0.76	S	S	*	*			trans	62.4	169.6	141.8	-72	165.4	-173.7	154.2	0	119.3
1020	P	40.6	Very low	30.8	Very low	104 Å²	104	141.9 Å²	141.9	68%	0.675	76%	0.76	S	S	*	*			cis	-127.5	166.9	-23.3	35.4	-20.2	0	0	0	114.2
1021	H	29.8	Very low	31	Very low	191 Å²	191	143 Å²	143	88%	0.884	76%	0.762	S	S	*	*				-163.2	160.7	120.2	-112.3	-84.8	0	0	0	110.4
1022	K	26.5	Very low	30.9	Very low	192 Å²	192	137.6 Å²	137.6	84%	0.835	75%	0.753	S	S	*	*			trans	-99.9	145.2	-165.5	-61.1	178.5	180	176.9	0	113.6
1023	C	25.4	Very low	31	Very low	131 Å²	131	135.1 Å²	135.1	89%	0.885	75%	0.75	S	S	*	*			trans	-99.6	162.3	157.7	-70.5	0	0	0	0	110.8
1024	V	29.6	Very low	31.1	Very low	131 Å²	131	138.1 Å²	138.1	79%	0.794	76%	0.757	S	S	*	*			trans	-133.4	131.3	-172.1	177.3	0	0	0	0	111.7
1025	P	48.6	Very low	31.2	Very low	112 Å²	112	138.3 Å²	138.3	73%	0.727	77%	0.766	S	S	*	*			trans	-124.8	133.8	160.9	36.4	-24.1	0	0	0	113.2
1026	P	45	Very low	31.3	Very low	109 Å²	109	138.1 Å²	138.1	71%	0.708	77%	0.765	S	S	*	*				-138.5	146.7	121.4	14.6	8	0	0	0	112.2
1027	Y	31.7	Very low	31.5	Very low	203 Å²	203	136.8 Å²	136.8	80%	0.796	77%	0.771	S	S	*	*			cis	96.5	119.5	49.2	-91.1	-65.8	0	0	0	115.6
1028	N	30.7	Very low	33.3	Very low	122 Å²	122	136 Å²	136	65%	0.652	77%	0.765	S	S	*	*			trans	57.7	177.1	140.3	-70.2	8.4	0	0	0	120
1029	T	31.7	Very low	33.2	Very low	114 Å²	114	144.5 Å²	144.5	70%	0.699	78%	0.778	S	S	*	*			cis	-157.3	134.8	19.5	-13.4	0	0	0	0	110.6
1030	F	29.2	Very low	33.2	Very low	152 Å²	152	141.1 Å²	141.1	67%	0.667	77%	0.774	S	S	*	*				73.6	119.8	103.7	-85.2	-139.2	0	0	0	118.3
1031	M	29.9	Very low	33.8	Very low	167 Å²	167	140.8 Å²	140.8	82%	0.823	77%	0.772	S	S	*	*				93.6	151.7	97.8	-80.4	-164.3	173	0	0	115.1
1032	G	28.2	Very low	33.6	Very low	61 Å²	61	139.4 Å²	139.4	63%	0.629	77%	0.765	S	S	*	*			cis	169.7	164.6	-7.5	0	0	0	0	0	115.3
1033	T	33.3	Very low	33.8	Very low	120 Å²	120	137.5 Å²	137.5	74%	0.736	76%	0.757	S	S	*	*			trans	38.2	135.2	152.2	56.6	0	0	0	0	122.8
1034	F	30.5	Very low	33.9	Very low	211 Å²	211	136.7 Å²	136.7	93%	0.925	74%	0.744	S	S	*	*				179.1	156.3	113.3	-105.3	-69.4	0	0	0	114.5
1035	G	28.4	Very low	33.9	Very low	75 Å²	75	137.1 Å²	137.1	77%	0.773	74%	0.741	S	S	*	*			trans	99.8	153.8	145.2	0	0	0	0	0	119.8
1036	K	30.6	Very low	32.8	Very low	207 Å²	207	141.7 Å²	141.7	90%	0.9	75%	0.745	S	S	*	*			trans	-127.9	127.4	168.8	-77	-176.2	176	-178.4	0	110
1037	A	30.4	Very low	32.2	Very low	98 Å²	98	144 Å²	144	81%	0.81	75%	0.75	S	S	*	*			trans	52	166.3	142	0	0	0	0	0	121.1
1038	P	61.1	Low	32.8	Very low	108 Å²	108	139.6 Å²	139.6	70%	0.701	75%	0.746	S	S	*	*			cis	-123.3	-155.5	-26.2	36.1	-19.1	0	0	0	112.2
1039	W	24.7	Very low	33.8	Very low	237 Å²	237	139.3 Å²	139.3	90%	0.898	75%	0.751	S	S	*	*			trans	105.5	138.1	168.8	-68.7	85.2	0	0	0	118.4
1040	T	30.4	Very low	33.8	Very low	119 Å²	119	139.2 Å²	139.2	73%	0.73	76%	0.755	S	S	*	*			trans	-115.4	-175.7	170.4	58	0	0	0	0	107.9
1041	P	53.7	Low	33.8	Very low	97 Å²	97	139.8 Å²	139.8	63%	0.63	76%	0.763	S	S	*	*			cis	-134.4	-164	-3.8	28.9	-3.3	0	0	0	114.6
1042	H	26.8	Very low	33.9	Very low	162 Å²	162	137.9 Å²	137.9	75%	0.75	76%	0.761	S	S	*	*			trans	89.7	117	146.8	-79.4	-42.4	0	0	0	123.6
1043	K	29	Very low	33.9	Very low	152 Å²	152	145.9 Å²	145.9	66%	0.661	77%	0.774	S	S	*	*				90.2	121.8	120.8	-83.4	-179.5	150.2	-80.3	0	122.9
1044	D	29.4	Very low	33.7	Very low	114 Å²	114	149.2 Å²	149.2	61%	0.61	78%	0.78	S	S	*	*				88.9	128.1	124.1	-67.3	-6.6	0	0	0	122.7
1045	L	27.9	Very low	33.6	Very low	140 Å²	140	142.2 Å²	142.2	73%	0.733	77%	0.768	S	S	*	*			trans	102.2	138.2	134.9	-80.8	163.5	0	0	0	123.3
1046	Y	27.3	Very low	33.5	Very low	208 Å²	208	146.8 Å²	146.8	82%	0.816	77%	0.773	S	S	*	*			trans	86.4	93.6	160.8	-71.8	-65.7	0	0	0	123.2
1047	I	32.2	Very low	33.5	Very low	158 Å²	158	142.8 Å²	142.8	81%	0.81	77%	0.766	S	S	*	*			trans	-76	140.8	143.1	-56.4	152.4	0	0	0	106.8
1048	P	43.1	Very low	33.3	Very low	109 Å²	109	146.2 Å²	146.2	71%	0.708	77%	0.77	S	S	*	*				-159.3	-161.8	77.9	40.9	-16	0	0	0	115.6
1049	P	51.9	Low	31.8	Very low	116 Å²	116	149.3 Å²	149.3	75%	0.753	78%	0.775	S	S	*	*				-130.2	-175.6	-59	38.6	-22.6	0	0	0	114.6
1050	S	32	Very low	31.9	Very low	113 Å²	113	147 Å²	147	79%	0.79	77%	0.774	S	S	*	*			trans	-59.4	156.2	177.4	-29.4	0	0	0	0	117.6
1051	I	30.1	Very low	32	Very low	164 Å²	164	148.1 Å²	148.1	84%	0.841	78%	0.775	S	S	*	*			trans	-137.4	140.6	151.5	-63.4	-176.2	0	0	0	109.5
1052	T	31.9	Very low	31.7	Very low	126 Å²	126	148.9 Å²	148.9	77%	0.773	78%	0.78	S	S	*	*			trans	-113.5	156.3	172.8	45.4	0	0	0	0	111.1
1053	Y	26.9	Very low	31.9	Very low	229 Å²	229	151.1 Å²	151.1	90%	0.898	78%	0.784	S	S	*	*			trans	-155.5	156.5	158.2	-119.3	-79.6	0	0	0	113.7
1054	H	30	Very low	31.9	Very low	190 Å²	190	151.2 Å²	151.2	88%	0.88	80%	0.797	S	S	*	*			trans	-95.5	163.2	179.6	-73.1	-87.7	0	0	0	113.7
1055	G	27	Very low	32.1	Very low	65 Å²	65	150.2 Å²	150.2	67%	0.67	81%	0.805	S	S	*	*			trans	160.5	84.2	165.5	0	0	0	0	0	112.2
1056	I	28	Very low	32.1	Very low	170 Å²	170	151.3 Å²	151.3	87%	0.872	81%	0.81	S	S	*	*				92	143.2	86.1	-75.4	169.7	0	0	0	113.1
1057	T	29.9	Very low	32.2	Very low	123 Å²	123	149 Å²	149	76%	0.755	81%	0.813	S	S	*	*			trans	-79.8	160.9	-166.8	49.8	0	0	0	0	115.6
1058	L	25.6	Very low	32.1	Very low	171 Å²	171	149.2 Å²	149.2	90%	0.895	81%	0.813	S	S	*	*			trans	-141.7	135.8	134.3	-107.5	169.6	0	0	0	110.9
1059	H	29.3	Very low	31.7	Very low	173 Å²	173	151 Å²	151	80%	0.801	82%	0.817	S	S	*	*			trans	-97.3	148.1	164.5	-109	-80.6	0	0	0	107.4
1060	E	27.8	Very low	30.7	Very low	189 Å²	189	150.7 Å²	150.7	88%	0.883	82%	0.818	S	S	*	*			trans	-165.5	155.8	134.3	-115.6	164.5	-147.3	0	0	113
1061	N	31.5	Very low	30.9	Very low	141 Å²	141	153 Å²	153	75%	0.754	82%	0.821	S	S	*	*			trans	-160.4	129.2	177.1	-169.6	10.6	0	0	0	105.6
1062	P	47.2	Very low	30.8	Very low	113 Å²	113	153.1 Å²	153.1	73%	0.734	82%	0.823	S	S	*	*				-151.6	170.5	120.6	37.7	-20.9	0	0	0	116.4
1063	Y	31.9	Very low	30.6	Very low	210 Å²	210	155 Å²	155	82%	0.824	82%	0.823	S	S	*	*			trans	-56.4	152.1	168	-65.1	-104.2	0	0	0	114.7
1064	T	30.1	Very low	30.7	Very low	153 Å²	153	152.3 Å²	152.3	94%	0.939	82%	0.818	S	S	*	*				-165.7	166.1	115.1	13.2	0	0	0	0	111.4
1065	A	32.5	Very low	30.6	Very low	94 Å²	94	148.1 Å²	148.1	78%	0.777	81%	0.81	S	S	*	*			trans	-118.3	168	-170	0	0	0	0	0	112.9
1066	L	28.4	Very low	30.6	Very low	162 Å²	162	152 Å²	152	85%	0.848	81%	0.814	S	S	*	*			trans	-163.2	126.5	161	-113.3	163.3	0	0	0	111.4
1067	D	29.9	Very low	30.5	Very low	161 Å²	161	151.3 Å²	151.3	86%	0.861	81%	0.805	S	S	*	*			trans	-85	139.4	163.2	-76.8	-53.5	0	0	0	110.2
1068	I	29.5	Very low	30.5	Very low	161 Å²	161	151.1 Å²	151.1	83%	0.826	80%	0.799	S	S	*	*			trans	-141.5	140	156.8	-62	-173.5	0	0	0	108.7
1069	D	33.7	Very low	30.5	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	79%	0.793	S	S	*	*			trans	-105.1	-180	-172.9	-172.4	18.6	0	0	0	112.4
1070	S	31.6	Very low	30.4	Very low	109 Å²	109	147.7 Å²	147.7	76%	0.762	80%	0.796	S	S	*	*			trans	86.6	134.6	165.6	72.9	0	0	0	0	120.9
1071	D	36.6	Very low	30.6	Very low	161 Å²	161	146.3 Å²	146.3	86%	0.861	79%	0.789	S	S	*	*			trans	-76	156.6	171.2	-58.2	-80.2	0	0	0	113.7
1072	L	28	Very low	30.4	Very low	168 Å²	168	147.4 Å²	147.4	88%	0.88	79%	0.789	S	S	*	*			trans	-151.3	151.8	143.2	-159.1	56.4	0	0	0	114.1
1073	E	27.6	Very low	29.6	Very low	165 Å²	165	148.2 Å²	148.2	77%	0.771	80%	0.798	S	S	*	*			trans	-79.1	168	-164.9	-54.7	175	100.8	0	0	117.4
1074	Q	29.4	Very low	29.3	Very low	173 Å²	173	141.7 Å²	141.7	81%	0.808	79%	0.794	S	S	*	*			trans	14.1	143.9	143.8	-102.3	76.4	-21.5	0	0	120.9
1075	S	27.5	Very low	29.3	Very low	102 Å²	102	146 Å²	146	71%	0.713	79%	0.793	S	S	*	*				174.8	-179.6	91.1	-163.2	0	0	0	0	112.9
1076	I	26.2	Very low	29.2	Very low	146 Å²	146	147.1 Å²	147.1	75%	0.749	79%	0.791	S	S	*	*			trans	76.1	106.5	171.9	-61.1	169.9	0	0	0	113.5
1077	K	26.2	Very low	29.2	Very low	156 Å²	156	150.5 Å²	150.5	68%	0.678	79%	0.794	S	S	*	*				75.1	144.5	60.7	-71.5	-179.8	137.5	-71.7	0	113.2
1078	D	29.2	Very low	29.1	Very low	119 Å²	119	149.9 Å²	149.9	64%	0.636	79%	0.786	S	S	*	*			cis	-154.4	155.4	-4.3	-93.1	-38.4	0	0	0	107.9
1079	S	26.6	Very low	29.2	Very low	110 Å²	110	149.7 Å²	149.7	77%	0.769	78%	0.781	S	S	*	*			trans	177.1	126.6	134.6	-84.2	0	0	0	0	116.1
1080	L	28	Very low	30.1	Very low	162 Å²	162	147.3 Å²	147.3	85%	0.848	77%	0.774	S	S	*	*			trans	68	67.2	140.4	-60.2	172.3	0	0	0	120.8
1081	E	30.1	Very low	29.9	Very low	159 Å²	159	151.1 Å²	151.1	74%	0.743	78%	0.777	S	S	*	*				12.7	151.2	108.4	-96.8	-168.5	-177.8	0	0	123.3
1082	Q	28.5	Very low	29.5	Very low	164 Å²	164	149.4 Å²	149.4	77%	0.766	77%	0.768	S	S	*	*			trans	75.5	101	145.1	-72.7	-174.8	59.8	0	0	122.3
1083	S	29.2	Very low	29.4	Very low	130 Å²	130	144.6 Å²	144.6	91%	0.909	76%	0.759	S	S	*	*				-174.8	146.6	113.1	48.9	0	0	0	0	111.3
1084	G	26.9	Very low	29.5	Very low	73 Å²	73	147.2 Å²	147.2	75%	0.753	76%	0.762	S	S	*	*			cis	176.8	140	-14.5	0	0	0	0	0	113.7
1085	R	30.4	Very low	29.5	Very low	243 Å²	243	150 Å²	150	92%	0.917	76%	0.764	S	S	*	*			trans	51.7	112	158.8	-66.7	-177.7	-178.1	-176.5	0.6	119.1
1086	V	30.2	Very low	29.6	Very low	119 Å²	119	150.3 Å²	150.3	72%	0.721	76%	0.762	S	S	*	*				78	119.9	74.3	167	0	0	0	0	114.3
1087	Y	28.2	Very low	29.7	Very low	233 Å²	233	151 Å²	151	91%	0.914	77%	0.768	S	S	*	*			trans	-151.8	128.4	135.3	-110.9	-74.1	0	0	0	111.5
1088	E	28.5	Very low	29.8	Very low	148 Å²	148	147.9 Å²	147.9	69%	0.692	77%	0.771	S	S	*	*			trans	-88.8	173	164.6	-77.2	-171.6	97.5	0	0	109.3
1089	Q	31.4	Very low	29.8	Very low	157 Å²	157	150 Å²	150	73%	0.734	78%	0.78	S	S	*	*			cis	-155.2	-155	9.2	-133	179.8	50.8	0	0	109.4
1090	P	51.7	Low	29.9	Very low	97 Å²	97	149.7 Å²	149.7	63%	0.63	78%	0.779	S	S	*	*			trans	-127.7	-140.1	-146	44	-21	0	0	0	115.9
1091	F	26.8	Very low	30	Very low	188 Å²	188	150.8 Å²	150.8	83%	0.825	78%	0.779	S	S	*	*			trans	84.8	149.5	-176.4	-73.9	-104.7	0	0	0	116.5
1092	D	28	Very low	29.9	Very low	126 Å²	126	155.1 Å²	155.1	67%	0.674	79%	0.789	S	S	*	*			cis	-169.5	163.4	-29.5	-179.1	16	0	0	0	106.3
1093	G	27.5	Very low	30	Very low	66 Å²	66	158.6 Å²	158.6	68%	0.68	80%	0.795	S	S	*	*			trans	176.9	-12	177.7	0	0	0	0	0	123.8
1094	R	28.5	Very low	29.9	Very low	221 Å²	221	161.1 Å²	161.1	83%	0.834	79%	0.794	S	S	*	*			trans	51.5	117.6	166.3	-55.7	179	-178.5	-166	-2	121.4
1095	R	29.3	Very low	29.9	Very low	230 Å²	230	163 Å²	163	87%	0.868	80%	0.796	S	S	*	*				172.5	117.1	116.6	-93.3	-173.8	170.8	178.4	-2.8	108
1096	T	29.4	Very low	29.9	Very low	109 Å²	109	160.7 Å²	160.7	67%	0.669	82%	0.818	S	S	*	*				50.6	122.1	84.6	70	0	0	0	0	112.2
1097	D	29	Very low	29.8	Very low	161 Å²	161	162.8 Å²	162.8	86%	0.861	82%	0.822	S	S	*	*			cis	-137.3	-179.7	25.6	-76.8	-68.4	0	0	0	114.7
1098	A	28.1	Very low	29.9	Very low	90 Å²	90	159.1 Å²	159.1	74%	0.744	82%	0.818	S	S	*	*			trans	-96.9	163.5	-174.7	0	0	0	0	0	114
1099	I	29.4	Very low	30	Very low	163 Å²	163	159.7 Å²	159.7	84%	0.836	83%	0.825	S	S	*	*			trans	-170.2	143.6	139.7	-102.3	154.8	0	0	0	112.9
1100	S	29	Very low	29.9	Very low	105 Å²	105	159.9 Å²	159.9	73%	0.734	83%	0.83	S	S	*	*			trans	33.7	119.4	164.5	68.4	0	0	0	0	122.9
1101	Q	29.3	Very low	28.6	Very low	185 Å²	185	163.8 Å²	163.8	86%	0.864	84%	0.842	S	S	*	*			trans	-25.5	144.5	143.3	-55.6	164.9	-11.6	0	0	117.1
1102	R	28.7	Very low	28.7	Very low	249 Å²	249	162.2 Å²	162.2	94%	0.94	84%	0.844	S	S	*	*				-160.8	148.5	112.3	-106.8	175.7	-167.5	-148.8	1.6	111.9
1103	R	30.6	Very low	28.7	Very low	237 Å²	237	164.8 Å²	164.8	89%	0.894	86%	0.856	S	S	*	*			trans	-96.5	139.8	171.8	-68.9	176.6	175.1	169.1	-3.6	110
1104	M	26.6	Very low	28.8	Very low	183 Å²	183	172.4 Å²	172.4	90%	0.901	87%	0.869	S	S	*	*			trans	-168.7	112.5	143.2	-99.5	160.1	-178.9	0	0	104.7
1105	S	27.5	Very low	28.9	Very low	113 Å²	113	168.3 Å²	168.3	79%	0.79	87%	0.872	S	S	*	*			cis	74.5	81.8	42.9	86.2	0	0	0	0	114
1106	S	29.5	Very low	28.8	Very low	195 Å²	195	162.7 Å²	162.7	100%	1.364	87%	0.872	S	S	*	*			trans	-139.2	0	149.6	61.7	0	0	0	0	107.1

Retrieved 1,106 of 1,106 residues in 1434.9 ms (Link to these results)

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