A0A096MVH4_PAPAN Loading...

Carnosine synthase 1

Catalyzes the synthesis of carnosine and homocarnosine. Carnosine is synthesized more efficiently than homocarnosine.

AlphaFold DB , UniProt , Accession A0A096MVH4, Species PAPAN (Papio anubis, Olive baboon), Gene CARNS1, Length 950 aa.

						>A0A096MVH4_PAPAN|A0A096MVH4|CARNS1
MLSLDPSGPEWDCPLGSKDLEDEGPWGGGSGLPPTGCFPGSWRQDVVLDCKGSPEGTEARAWTVYYYSLLQSCLQQAGLPETQDRSQAPRTGCPGAEVTLCVLGSPSTFLPVLLEGGVQSPGNMLLCLSPAWLMKVPAPGQPGEAALLVLKAVSFHPGGLTFLDDFVPPRRATYFLAGLGLGPSRGREAAELARDLTCPTGASAELARLLEDRLLTRQLLAQQGGVAVPATLAFTYKPPGLLRGGDSSPGLRLVELSGKEGQETLVKEEVEAFLRSEALGDVLQVAVKLSGWRWRGRQALHLHPRAELGAVVNTVLALLEKLEEEESVLVEAVYPPVQLPCSDGPSPGPGLAVRICAVVCRTQGDRPLLSKVVCGVGRGDRPLRHHNSLPRTLEVALAQCGLGEEAQVAAVRQRVKAAAEAALTAMLALEAGLSAEQRGGRRAHTDFLGVDFALTAAGGMLTPVALELNGGLCLEACGALEGLWAAPRLGPAADEAAAAPLVETMLRRSARCLMEGKQLLVVGAGGVSKKFVWEAARDYGLQLHLVESDPNHFASQLVQTFIHFDMTEHRRDEENARLLAELVRARGLKLDGCFSYWDDCLVLTALLCQELGLPCSPPAAMRLAKKKSLTQLHLLRHHGPPWPAPSLHAVPCCPLESEADVERAVHQVPLPGVMKLEFGAGAVGVRLVEDAPQCHEHFSRITRDLQGEADHPGIGLGWGNAMLLMEFVEGTEHDVDLVLFGGRLLAAFVSDNGPTRLPGFTETAACMPTGLASEQEAQMVQAAFRCCLGCGLLDGVFNVELKLTGAGPRLIEINPRMGGFYLRDWILELYGVDLLLAAVMVACGLRPALPTRPRARGHLVGVMCLVSQHLQALSSTASRETLQALHDRGLLRLNLLEEALVPGEYEEPYCSVACAGSSPTEARLRLLGLCQGLGIDGPSYPVAHFLSHFK
					

Structure Viewer

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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	26.6	Very low	26.4	Very low	230 Å²	230	149 Å²	149	100%	1.133	82%	0.824	S	S	*	*				0	116.9	0	-127.8	-178.8	-177.4	0	0	106.2
2	L	22.8	Very low	26	Very low	169 Å²	169	148.1 Å²	148.1	89%	0.885	82%	0.817	S	S	*	*			trans	65.7	150.8	168.1	-60.1	158.4	0	0	0	115.3
3	S	21.4	Very low	25.8	Very low	90 Å²	90	145.5 Å²	145.5	63%	0.629	81%	0.814	S	S	*	*			cis	174.8	135.4	-6.4	162.2	0	0	0	0	107.7
4	L	25.4	Very low	26.1	Very low	146 Å²	146	143.1 Å²	143.1	76%	0.764	81%	0.808	S	S	*	*			trans	44.1	127.1	141.4	-66	156.1	0	0	0	123.6
5	D	26	Very low	26	Very low	147 Å²	147	146.3 Å²	146.3	79%	0.786	82%	0.82	S	S	*	*				93.1	153.8	127.2	-87.6	4.5	0	0	0	123.9
6	P	42.2	Very low	25.8	Very low	115 Å²	115	140.8 Å²	140.8	75%	0.747	81%	0.806	S	S	*	*			trans	-113	160.9	-136.8	41.5	-31.1	0	0	0	113.5
7	S	22.4	Very low	25.9	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	81%	0.812	S	S	*	*			trans	-152.3	122.4	162.6	43.1	0	0	0	0	109.4
8	G	32.3	Very low	25.8	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	81%	0.81	S	S	*	*			trans	-73.1	167.1	161.5	0	0	0	0	0	110.8
9	P	25	Very low	25.7	Very low	114 Å²	114	143.3 Å²	143.3	74%	0.74	81%	0.813	S	S	*	*			trans	-125.6	128.3	134.4	20.5	-2.2	0	0	0	109
10	E	23.6	Very low	25.9	Very low	172 Å²	172	142.4 Å²	142.4	80%	0.804	81%	0.805	S	S	*	*				51.2	98.9	92.6	-78.4	-177.2	168.2	0	0	112.8
11	W	22.6	Very low	26.2	Very low	268 Å²	268	144.4 Å²	144.4	100%	1.015	81%	0.808	S	S	*	*			trans	-111.7	93.8	152.9	-93.2	-20.1	0	0	0	108.9
12	D	21.4	Very low	26.2	Very low	138 Å²	138	140.9 Å²	140.9	74%	0.738	79%	0.794	S	S	*	*			trans	-65.3	122	160.1	-90	-36.9	0	0	0	110.3
13	C	24.2	Very low	26.5	Very low	115 Å²	115	139.8 Å²	139.8	78%	0.777	78%	0.784	S	S	*	*			trans	39	169.1	135.8	-73.6	0	0	0	0	121.7
14	P	29.7	Very low	26.9	Very low	112 Å²	112	137.6 Å²	137.6	73%	0.727	78%	0.775	S	S	*	*				-131.2	120.3	-51.2	33.7	-16.4	0	0	0	109.1	G16	P14-G16 PolarHBondContact O-N 3.39Å
15	L	24.4	Very low	27.1	Very low	190 Å²	190	136.4 Å²	136.4	100%	0.995	78%	0.776	S	S	*	*			trans	-84.2	85.2	175.3	-78.5	169.1	0	0	0	110.9
16	G	23.1	Very low	27.7	Very low	58 Å²	58	135.7 Å²	135.7	60%	0.598	76%	0.763	S	S	*	*				49.9	103.4	122.9	0	0	0	0	0	118	P14 K18	P14-G16 PolarHBondContact O-N 3.39Å; G16-K18 PolarHBondContact O-N 3.39Å
17	S	26.9	Very low	27.1	Very low	130 Å²	130	131.8 Å²	131.8	91%	0.909	74%	0.744	S	S	*	*	S	Bend	trans	-65	50	162.2	50.3	0	0	0	0	114.4
18	K	23.7	Very low	27.7	Very low	179 Å²	179	130.2 Å²	130.2	78%	0.778	75%	0.745	S	S	*	*			trans	-141.1	94.5	170.8	-79.5	-174.4	174	-177.6	0	107.6	G16	G16-K18 PolarHBondContact O-N 3.39Å
19	D	24.9	Very low	28.2	Very low	162 Å²	162	130 Å²	130	87%	0.866	74%	0.742	S	S	*	*			trans	167.3	59.7	155.7	-81.5	-15.1	0	0	0	109.5
20	L	30	Very low	29.2	Very low	124 Å²	124	129 Å²	129	65%	0.649	74%	0.739	S	S	*	*			trans	-137.2	22.3	163.8	-81.9	175.8	0	0	0	112.1
21	E	32.5	Very low	30.8	Very low	186 Å²	186	122.8 Å²	122.8	87%	0.869	72%	0.721	S	S	*	*			trans	-115.3	73.4	165.5	-72.4	-175.7	169.5	0	0	108.1
22	D	25.4	Very low	32.7	Very low	156 Å²	156	114.7 Å²	114.7	83%	0.834	70%	0.697	S	S	*	*			trans	-95.3	90.2	147.4	-100.8	-23.2	0	0	0	105.2	G24	D22-G24 PolarHBondContact O-N 2.93Å; D22-G24 VanDerWaalsContact O-N 3.09Å
23	E	30.2	Very low	35	Very low	146 Å²	146	109 Å²	109	68%	0.682	67%	0.668	S	S	*	*			trans	-45.9	116.6	150.1	-69	-162.7	137.2	0	0	106.2
24	G	28.8	Very low	37.2	Very low	43 Å²	43	105.6 Å²	105.6	44%	0.443	64%	0.644	S	S	.	*			trans	-54.2	171.8	160.7	0	0	0	0	0	109	D22 W26 G27	D22-G24 PolarHBondContact O-N 2.93Å; D22-G24 VanDerWaalsContact O-N 3.09Å; G24-W26 PolarHBondContact O-N 3.37Å; G24-G27 PolarHBondContact O-N 3.31Å; G24-G27 VanDerWaalsContact O-N 3.14Å
25	P	29.6	Very low	38.4	Very low	121 Å²	121	107.2 Å²	107.2	79%	0.786	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	11.2	-178.6	26	-32.8	0	0	0	114.8
26	W	39.1	Very low	40	Very low	133 Å²	133	101.6 Å²	101.6	50%	0.504	64%	0.64	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.7	26.2	-179.6	-52.4	99	0	0	0	112	G24 P34 W62	G24-W26 PolarHBondContact O-N 3.37Å; W26-P34 HydrophobicContact CE3-CG 4.24Å; W26-P34 HydrophobicContact CH2-CG 3.58Å; W26-P34 HydrophobicContact CZ2-CG 4.31Å; W26-P34 HydrophobicContact CZ3-CG 3.53Å; W26-W62 HydrophobicContact CZ3-CH2 4.02Å
27	G	28.8	Very low	41.6	Very low	33 Å²	33	102.3 Å²	102.3	34%	0.34	64%	0.635	S	S	.	*			trans	-69.8	144	165.8	0	0	0	0	0	111.9	G24	G24-G27 PolarHBondContact O-N 3.31Å; G24-G27 VanDerWaalsContact O-N 3.14Å
28	G	36.6	Very low	43.5	Very low	81 Å²	81	98.9 Å²	98.9	84%	0.835	60%	0.604	S	S	*	*	S	Bend	trans	-63.4	140.6	-156.4	0	0	0	0	0	117.1
29	G	42.6	Very low	44.9	Very low	68 Å²	68	95.6 Å²	95.6	70%	0.701	60%	0.601	S	S	*	*			trans	150.6	112.6	163.8	0	0	0	0	0	113.7
30	S	45.2	Very low	46.4	Very low	94 Å²	94	89.7 Å²	89.7	66%	0.657	58%	0.579	S	S	*	*			trans	76.7	130.9	-177.4	84.6	0	0	0	0	115	L32	S30-L32 PolarHBondContact O-N 2.77Å
31	G	56.9	Low	47.6	Very low	42 Å²	42	90 Å²	90	43%	0.433	59%	0.591	S	S	.	*	S	Bend	trans	-68.6	14.9	173.9	0	0	0	0	0	114.3	E58 W62	G31-E58 WeakPolarHBondContact CA-OE1 3.48Å; G31-E58 WeakPolarHBondContact O-CG 3.46Å; G31-W62 PolarHBondContact O-NE1 3.26Å
32	L	62.9	Low	49.3	Very low	97 Å²	97	83.6 Å²	83.6	51%	0.508	56%	0.559	S	S	.	*	S	Bend	trans	-93.1	150.1	-178.3	-68.2	168.1	0	0	0	110.8	S30 E58 A61	S30-L32 PolarHBondContact O-N 2.77Å; L32-E58 HydrophobicContact CD2-CG 4.37Å; L32-A61 HydrophobicContact CD2-CB 4.29Å
33	P	69.7	Low	50.8	Low	20 Å²	20	85.7 Å²	85.7	13%	0.13	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-66.1	159	175.4	27.9	-34.4	0	0	0	111.7	T35 A61 W62 Y65	P33-T35 PolarHBondContact O-N 2.98Å; P33-A61 HydrophobicContact CG-CB 4.1Å; P33-W62 HydrophobicContact CB-CD2 3.97Å; P33-W62 HydrophobicContact CB-CE3 3.89Å; P33-W62 HydrophobicContact CB-CH2 4.15Å; P33-W62 HydrophobicContact CB-CZ2 4.2Å; P33-W62 HydrophobicContact CB-CZ3 3.98Å; P33-W62 HydrophobicContact CG-CD2 4.39Å; P33-Y65 HydrophobicContact CB-CD1 4.34Å; P33-Y65 HydrophobicContact CB-CD2 3.85Å; P33-Y65 HydrophobicContact CB-CG 3.7Å
34	P	69.9	Low	52	Low	42 Å²	42	87.7 Å²	87.7	27%	0.273	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-55.8	131.3	178.7	-20.9	30.5	0	0	0	112.1	W26 G36 Y65	W26-P34 HydrophobicContact CE3-CG 4.24Å; W26-P34 HydrophobicContact CH2-CG 3.58Å; W26-P34 HydrophobicContact CZ2-CG 4.31Å; W26-P34 HydrophobicContact CZ3-CG 3.53Å; P34-G36 PolarHBondContact O-N 3.16Å; P34-Y65 HydrophobicContact CG-CE2 4.41Å
35	T	54.7	Low	53.6	Low	146 Å²	146	93.1 Å²	93.1	90%	0.896	58%	0.583	S	S	*	*	S	Bend	trans	-80.7	113.4	179.2	45.8	0	0	0	0	111.6	P33	P33-T35 PolarHBondContact O-N 2.98Å
36	G	59	Low	55.9	Low	73 Å²	73	88.5 Å²	88.5	75%	0.753	55%	0.553	S	S	*	*	S	Bend	trans	88	95.8	171.2	0	0	0	0	0	113.9	P34	P34-G36 PolarHBondContact O-N 3.16Å
37	C	55.8	Low	58	Low	73 Å²	73	85.5 Å²	85.5	49%	0.493	55%	0.549	S	S	.	.			trans	-144.9	-9.7	-175.8	-84.7	0	0	0	0	118.4
38	F	66.8	Low	60.7	Low	57 Å²	57	84.8 Å²	84.8	25%	0.25	54%	0.537	C	S	.	.			trans	-133.5	109.6	-174.4	-52.8	-64.6	0	0	0	111.8	G40 Y65 L69 S72	F38-G40 PolarHBondContact O-N 3.17Å; F38-Y65 HydrophobicContact CE2-CD2 4.08Å; F38-Y65 AromaticContact CE2-CE2 3.74Å; F38-Y65 HydrophobicContact CE2-CE2 3.74Å; F38-Y65 HydrophobicContact CZ-CE2 4.02Å; F38-L69 HydrophobicContact CE1-CB 4.48Å; F38-L69 HydrophobicContact CE1-CD1 3.66Å; F38-L69 HydrophobicContact CE2-CB 4.06Å; F38-L69 HydrophobicContact CZ-CB 3.81Å; F38-L69 HydrophobicContact CZ-CD1 3.59Å; F38-L69 HydrophobicContact CZ-CG 4.25Å; F38-S72 VanDerWaalsContact CD1-CB 3.45Å; F38-S72 WeakPolarHBondContact CD1-OG 3.38Å
39	P	52.7	Low	62.8	Low	110 Å²	110	83.6 Å²	83.6	71%	0.714	51%	0.512	S	S	*	.			trans	-72.1	109.2	175.1	27.5	-30.1	0	0	0	109.7
40	G	56.5	Low	64.4	Low	39 Å²	39	81 Å²	81	40%	0.402	48%	0.482	S	S	.	.			trans	-179.9	146.1	171.2	0	0	0	0	0	113.5	F38 W42	F38-G40 PolarHBondContact O-N 3.17Å; G40-W42 VanDerWaalsContact C-N 3.26Å; G40-W42 PolarHBondContact O-N 3.25Å
41	S	56.1	Low	65.5	Low	129 Å²	129	84 Å²	84	90%	0.902	48%	0.484	S	S	*	.			trans	-91.9	55.4	175.2	50.1	0	0	0	0	110.6
42	W	68.1	Low	65.7	Low	52 Å²	52	86 Å²	86	20%	0.197	50%	0.504	C	S	.	.			trans	-67.2	155.1	175.9	-39.7	113.8	0	0	0	110.4	G40 Q44 Q71 Q75 E81	G40-W42 VanDerWaalsContact C-N 3.26Å; G40-W42 PolarHBondContact O-N 3.25Å; W42-Q44 PolarHBondContact O-N 3.1Å; W42-Q71 HydrophobicContact CD2-CB 4.02Å; W42-Q71 HydrophobicContact CE3-CB 4.39Å; W42-Q71 HydrophobicContact CG-CB 4.22Å; W42-Q75 HydrophobicContact CH2-CB 3.59Å; W42-Q75 HydrophobicContact CH2-CG 3.68Å; W42-Q75 HydrophobicContact CZ2-CB 4.16Å; W42-Q75 HydrophobicContact CZ2-CG 4.36Å; W42-Q75 VanDerWaalsContact CZ2-OE1 3.23Å; W42-E81 HydrophobicContact CE3-CG 4.19Å
43	R	56	Low	65.9	Low	200 Å²	200	82.9 Å²	82.9	76%	0.755	49%	0.491	S	S	*	.			trans	-60.8	108.8	177.2	-68.6	-169.5	-174	-140.6	3.4	110	D45 V46 E81	R43-D45 PolarHBondContact O-N 3.2Å; R43-V46 HydrophobicContact CB-CG2 4.15Å; R43-V46 WeakPolarHBondContact O-CG2 3.36Å; R43-E81 PolarHBondContact N-OE1 3.14Å
44	Q	56.4	Low	65.7	Low	189 Å²	189	88 Å²	88	88%	0.883	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-10.1	176.1	-69.8	-174.1	-9	0	0	112.9	W42 V46	W42-Q44 PolarHBondContact O-N 3.1Å; Q44-V46 VanDerWaalsContact C-N 3.34Å; Q44-V46 PolarHBondContact O-N 3.42Å
45	D	62	Low	65.9	Low	157 Å²	157	87.5 Å²	87.5	84%	0.84	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	23.4	-176.6	-60.9	-34.1	0	0	0	114.2	R43	R43-D45 PolarHBondContact O-N 3.2Å
46	V	78.9	Confident	67	Low	24 Å²	24	82.9 Å²	82.9	15%	0.145	50%	0.499	C	S	.	.			trans	-83.6	129.4	-179.5	178.9	0	0	0	0	110.7	R43 Q44 L48 Y67 L163	R43-V46 HydrophobicContact CB-CG2 4.15Å; R43-V46 WeakPolarHBondContact O-CG2 3.36Å; Q44-V46 VanDerWaalsContact C-N 3.34Å; Q44-V46 PolarHBondContact O-N 3.42Å; V46-L48 HydrophobicContact CG1-CD2 3.92Å; V46-L48 HydrophobicContact CG1-CG 4.4Å; V46-L48 PolarHBondContact O-N 3.26Å; V46-L48 VanDerWaalsContact O-N 3.14Å; V46-Y67 HydrophobicContact CG1-CE2 4.47Å; V46-Y67 HydrophobicContact CG2-CE1 4.32Å; V46-L163 HydrophobicContact CG1-CD2 3.47Å; V46-L163 VanDerWaalsContact CG1-CD2 3.47Å
47	V	82.8	Confident	67.8	Low	69 Å²	69	85.6 Å²	85.6	42%	0.418	50%	0.501	S	S	.	.			trans	-83.9	92.9	-179.5	-175.6	0	0	0	0	110.6	K151	V47-K151 WeakPolarHBondContact O-CE 3.46Å; V47-K151 PolarHBondContact O-NZ 3.17Å; V47-K151 VanDerWaalsContact O-NZ 3.1Å
48	L	84.6	Confident	68.8	Low	18 Å²	18	86.5 Å²	86.5	9%	0.094	50%	0.498	C	S	.	.			trans	-81.9	-15.8	178.7	-62.1	178.1	0	0	0	114.1	V46 T63 V64 Y67 W132 L163	V46-L48 HydrophobicContact CG1-CD2 3.92Å; V46-L48 HydrophobicContact CG1-CG 4.4Å; V46-L48 PolarHBondContact O-N 3.26Å; V46-L48 VanDerWaalsContact O-N 3.14Å; L48-T63 HydrophobicContact CB-CG2 4.24Å; L48-T63 HydrophobicContact CD1-CG2 4.44Å; L48-V64 HydrophobicContact CD1-CB 4.5Å; L48-V64 HydrophobicContact CD1-CG2 3.94Å; L48-Y67 HydrophobicContact CD1-CD1 4.49Å; L48-Y67 HydrophobicContact CD1-CG 4.15Å; L48-Y67 HydrophobicContact CD2-CD2 3.75Å; L48-Y67 HydrophobicContact CD2-CE2 4.2Å; L48-Y67 HydrophobicContact CD2-CG 3.94Å; L48-W132 HydrophobicContact CD2-CZ2 4.47Å; L48-W132 PolarHBondContact O-NE1 3.48Å; L48-L163 HydrophobicContact CD2-CD2 4.11Å
49	D	81.3	Confident	69.3	Low	57 Å²	57	85.2 Å²	85.2	31%	0.305	50%	0.498	S	S	.	.	S	Bend	trans	-64.6	140	177.7	-66.6	-32.8	0	0	0	110.6	R60 K151	D49-R60 IonicContact OD1-CZ 3.8Å; D49-R60 IonicContact OD1-NE 2.94Å; D49-R60 IonicContact OD1-NH1 2.82Å; D49-R60 PolarHBondContact OD1-NH1 3.44Å; D49-R60 VanDerWaalsContact OD1-NH1 3.16Å; D49-R60 IonicContact OD1-NH2 3.17Å; D49-R60 IonicContact OD2-CZ 3.13Å; D49-R60 VanDerWaalsContact OD2-CZ 3.25Å; D49-R60 IonicContact OD2-NH1 2.82Å; D49-R60 PolarHBondContact OD2-NH1 3.41Å; D49-R60 IonicContact OD2-NH2 3.87Å; D49-R60 PolarHBondContact OD2-NH2 3.27Å; D49-K151 PolarHBondContact O-NZ 3.01Å
50	C	76.5	Confident	70.7	Confident	12 Å²	12	86 Å²	86	8%	0.081	49%	0.487	C	S	.	.	B	Isolated β-bridge	trans	-91.4	125.5	175.3	-167.9	0	0	0	0	110.1	G52 S53 L150	C50-G52 PolarHBondContact O-N 2.79Å; C50-S53 PolarHBondContact O-N 2.95Å; C50-L150 VanDerWaalsContact SG-CB 3.56Å
51	K	68.1	Low	72	Confident	158 Å²	158	85.7 Å²	85.7	69%	0.687	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	116.9	179.1	-69.5	177.5	-178	165.2	0	109.7
52	G	61.2	Low	73.3	Confident	84 Å²	84	81.3 Å²	81.3	87%	0.866	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.6	-0.2	178.2	0	0	0	0	0	115.9	C50	C50-G52 PolarHBondContact O-N 2.79Å
53	S	65.7	Low	74.2	Confident	32 Å²	32	78.9 Å²	78.9	22%	0.224	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-137.8	81.4	175.7	-174.2	0	0	0	0	109.7	C50 A131	C50-S53 PolarHBondContact O-N 2.95Å; S53-A131 WeakPolarHBondContact CB-O 3.46Å; S53-A131 PolarHBondContact OG-O 3.25Å
54	P	65.6	Low	75.6	Confident	126 Å²	126	72.5 Å²	72.5	82%	0.818	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-71.3	131.7	-175	27.3	-32.1	0	0	0	111.8
55	E	76	Confident	77.1	Confident	33 Å²	33	65 Å²	65	15%	0.154	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-86.4	144.3	175.7	-74.4	177.7	-163.9	0	0	111.7	A59 T63 S129 A131 W132	E55-A59 HydrophobicContact CB-CB 4.26Å; E55-T63 PolarHBondContact OE2-OG1 2.76Å; E55-S129 WeakPolarHBondContact OE1-CB 3.32Å; E55-S129 PolarHBondContact OE1-OG 3.45Å; E55-A131 HydrophobicContact CG-CB 3.39Å; E55-A131 WeakPolarHBondContact OE1-CB 3.41Å; E55-W132 PolarHBondContact OE1-NE1 2.95Å
56	G	76.8	Confident	78.3	Confident	48 Å²	48	58.7 Å²	58.7	50%	0.495	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-65.2	158.9	166.2	0	0	0	0	0	111.9	E58 A59 R60	G56-E58 VanDerWaalsContact C-N 3.3Å; G56-E58 PolarHBondContact O-N 3.37Å; G56-A59 PolarHBondContact O-N 2.83Å; G56-A59 VanDerWaalsContact O-N 3.17Å; G56-R60 PolarHBondContact O-N 2.97Å
57	T	76.6	Confident	78.9	Confident	131 Å²	131	58.2 Å²	58.2	80%	0.804	34%	0.343	S	S	*	.	H	α-helix	trans	-57.6	-38.8	-174.7	-46.4	0	0	0	0	113.6	A61	T57-A61 PolarHBondContact O-N 3.47Å; T57-A61 VanDerWaalsContact O-N 3.17Å
58	E	76.4	Confident	79.2	Confident	91 Å²	91	56.5 Å²	56.5	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-68.2	-45.3	177.2	-173.2	-178.6	162.8	0	0	111.9	G31 L32 G56 R60 A61 W62	G31-E58 WeakPolarHBondContact CA-OE1 3.48Å; G31-E58 WeakPolarHBondContact O-CG 3.46Å; L32-E58 HydrophobicContact CD2-CG 4.37Å; G56-E58 VanDerWaalsContact C-N 3.3Å; G56-E58 PolarHBondContact O-N 3.37Å; E58-R60 VanDerWaalsContact C-N 3.31Å; E58-R60 PolarHBondContact O-N 3.18Å; E58-A61 WeakPolarHBondContact O-CB 3.49Å; E58-A61 PolarHBondContact O-N 2.54Å; E58-W62 PolarHBondContact O-N 3.43Å
59	A	77.6	Confident	79.4	Confident	31 Å²	31	56.4 Å²	56.4	26%	0.256	33%	0.333	S	S	.	.	H	α-helix	trans	-60.6	-42.1	176.8	0	0	0	0	0	111.4	E55 G56 A61 W62 T63	E55-A59 HydrophobicContact CB-CB 4.26Å; G56-A59 PolarHBondContact O-N 2.83Å; G56-A59 VanDerWaalsContact O-N 3.17Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A59-A61 PolarHBondContact O-N 2.91Å; A59-W62 WeakPolarHBondContact O-CB 3.37Å; A59-W62 PolarHBondContact O-N 3.41Å; A59-T63 PolarHBondContact O-N 3.22Å; A59-T63 PolarHBondContact O-OG1 2.63Å; A59-T63 VanDerWaalsContact O-OG1 3.06Å
60	R	82.1	Confident	79.9	Confident	125 Å²	125	53.7 Å²	53.7	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-60.9	-40.3	176	-176.1	176.4	176.7	142.4	7.8	112.5	D49 G56 E58 W62 T63 V64	D49-R60 IonicContact OD1-CZ 3.8Å; D49-R60 IonicContact OD1-NE 2.94Å; D49-R60 IonicContact OD1-NH1 2.82Å; D49-R60 PolarHBondContact OD1-NH1 3.44Å; D49-R60 VanDerWaalsContact OD1-NH1 3.16Å; D49-R60 IonicContact OD1-NH2 3.17Å; D49-R60 IonicContact OD2-CZ 3.13Å; D49-R60 VanDerWaalsContact OD2-CZ 3.25Å; D49-R60 IonicContact OD2-NH1 2.82Å; D49-R60 PolarHBondContact OD2-NH1 3.41Å; D49-R60 IonicContact OD2-NH2 3.87Å; D49-R60 PolarHBondContact OD2-NH2 3.27Å; G56-R60 PolarHBondContact O-N 2.97Å; E58-R60 VanDerWaalsContact C-N 3.31Å; E58-R60 PolarHBondContact O-N 3.18Å; R60-W62 VanDerWaalsContact C-N 3.31Å; R60-W62 PolarHBondContact O-N 2.92Å; R60-T63 PolarHBondContact O-N 3.3Å; R60-V64 WeakPolarHBondContact O-CG2 3.03Å; R60-V64 PolarHBondContact O-N 3.01Å
61	A	82.3	Confident	80.6	Confident	33 Å²	33	53.2 Å²	53.2	27%	0.273	32%	0.315	S	S	.	.	H	α-helix	trans	-60.8	-41.4	176.9	0	0	0	0	0	111.7	L32 P33 T57 E58 A59 V64 Y65	L32-A61 HydrophobicContact CD2-CB 4.29Å; P33-A61 HydrophobicContact CG-CB 4.1Å; T57-A61 PolarHBondContact O-N 3.47Å; T57-A61 VanDerWaalsContact O-N 3.17Å; E58-A61 WeakPolarHBondContact O-CB 3.49Å; E58-A61 PolarHBondContact O-N 2.54Å; A59-A61 VanDerWaalsContact C-N 3.34Å; A59-A61 PolarHBondContact O-N 2.91Å; A61-V64 PolarHBondContact O-N 3.36Å; A61-Y65 WeakPolarHBondContact O-CB 3.5Å; A61-Y65 PolarHBondContact O-N 3.25Å
62	W	83.6	Confident	81.6	Confident	37 Å²	37	45.9 Å²	45.9	14%	0.14	28%	0.284	C	S	.	.	H	α-helix	trans	-67.6	-38.5	174.5	-80.6	104.1	0	0	0	113.7	W26 G31 P33 E58 A59 R60 V64 Y65 Y66	W26-W62 HydrophobicContact CZ3-CH2 4.02Å; G31-W62 PolarHBondContact O-NE1 3.26Å; P33-W62 HydrophobicContact CB-CD2 3.97Å; P33-W62 HydrophobicContact CB-CE3 3.89Å; P33-W62 HydrophobicContact CB-CH2 4.15Å; P33-W62 HydrophobicContact CB-CZ2 4.2Å; P33-W62 HydrophobicContact CB-CZ3 3.98Å; P33-W62 HydrophobicContact CG-CD2 4.39Å; E58-W62 PolarHBondContact O-N 3.43Å; A59-W62 WeakPolarHBondContact O-CB 3.37Å; A59-W62 PolarHBondContact O-N 3.41Å; R60-W62 VanDerWaalsContact C-N 3.31Å; R60-W62 PolarHBondContact O-N 2.92Å; W62-V64 VanDerWaalsContact C-N 3.33Å; W62-Y65 AromaticContact CE3-CD1 3.94Å; W62-Y65 HydrophobicContact CE3-CD1 3.94Å; W62-Y65 AromaticContact CZ3-CD1 3.97Å; W62-Y65 HydrophobicContact CZ3-CD1 3.97Å; W62-Y65 HydrophobicContact CZ3-CE1 4.16Å; W62-Y65 PolarHBondContact O-N 3.39Å; W62-Y66 HydrophobicContact CE3-CE1 4.43Å; W62-Y66 HydrophobicContact CZ3-CE1 4.47Å; W62-Y66 PolarHBondContact O-N 2.73Å
63	T	87.1	Confident	82.9	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-45	174.4	-56.3	0	0	0	0	110.6	L48 E55 A59 R60 Y66 Y67 L128 S129 W132 R185	L48-T63 HydrophobicContact CB-CG2 4.24Å; L48-T63 HydrophobicContact CD1-CG2 4.44Å; E55-T63 PolarHBondContact OE2-OG1 2.76Å; A59-T63 PolarHBondContact O-N 3.22Å; A59-T63 PolarHBondContact O-OG1 2.63Å; A59-T63 VanDerWaalsContact O-OG1 3.06Å; R60-T63 PolarHBondContact O-N 3.3Å; T63-Y66 PolarHBondContact O-N 3.06Å; T63-Y67 WeakPolarHBondContact O-CB 3.32Å; T63-Y67 PolarHBondContact O-N 3.06Å; T63-L128 HydrophobicContact CG2-CB 4.26Å; T63-S129 WeakPolarHBondContact OG1-CB 3.26Å; T63-W132 HydrophobicContact CG2-CZ2 3.79Å; T63-R185 PolarHBondContact OG1-NH2 3.11Å
64	V	87	Confident	83.9	Confident	67 Å²	67	41.2 Å²	41.2	41%	0.406	24%	0.238	S	C	.	.	H	α-helix	trans	-62.9	-42.2	174.2	173.1	0	0	0	0	111.7	L48 R60 A61 W62 Y67 S68	L48-V64 HydrophobicContact CD1-CB 4.5Å; L48-V64 HydrophobicContact CD1-CG2 3.94Å; R60-V64 WeakPolarHBondContact O-CG2 3.03Å; R60-V64 PolarHBondContact O-N 3.01Å; A61-V64 PolarHBondContact O-N 3.36Å; W62-V64 VanDerWaalsContact C-N 3.33Å; V64-Y67 PolarHBondContact O-N 3.21Å; V64-S68 WeakPolarHBondContact O-CB 3.43Å; V64-S68 PolarHBondContact O-N 2.86Å; V64-S68 PolarHBondContact O-OG 2.92Å
65	Y	86.8	Confident	84.9	Confident	31 Å²	31	39.9 Å²	39.9	12%	0.122	22%	0.221	C	C	.	.	H	α-helix	trans	-60.7	-49.9	177.4	172.9	-94.4	0	0	0	111.6	P33 P34 F38 A61 W62 Y67 S68 L69	P33-Y65 HydrophobicContact CB-CD1 4.34Å; P33-Y65 HydrophobicContact CB-CD2 3.85Å; P33-Y65 HydrophobicContact CB-CG 3.7Å; P34-Y65 HydrophobicContact CG-CE2 4.41Å; F38-Y65 HydrophobicContact CE2-CD2 4.08Å; F38-Y65 AromaticContact CE2-CE2 3.74Å; F38-Y65 HydrophobicContact CE2-CE2 3.74Å; F38-Y65 HydrophobicContact CZ-CE2 4.02Å; A61-Y65 WeakPolarHBondContact O-CB 3.5Å; A61-Y65 PolarHBondContact O-N 3.25Å; W62-Y65 AromaticContact CE3-CD1 3.94Å; W62-Y65 HydrophobicContact CE3-CD1 3.94Å; W62-Y65 AromaticContact CZ3-CD1 3.97Å; W62-Y65 HydrophobicContact CZ3-CD1 3.97Å; W62-Y65 HydrophobicContact CZ3-CE1 4.16Å; W62-Y65 PolarHBondContact O-N 3.39Å; Y65-Y67 PolarHBondContact O-N 2.84Å; Y65-S68 WeakPolarHBondContact O-CB 3.5Å; Y65-S68 PolarHBondContact O-N 3.2Å; Y65-L69 HydrophobicContact CE1-CD2 4.23Å; Y65-L69 WeakPolarHBondContact O-CB 3.35Å; Y65-L69 PolarHBondContact O-N 2.9Å
66	Y	88.6	Confident	85.3	Confident	25 Å²	25	45.1 Å²	45.1	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-33.4	179.1	-73.6	-26.2	0	0	0	113.1	W62 T63 S68 L69 L70 P106	W62-Y66 HydrophobicContact CE3-CE1 4.43Å; W62-Y66 HydrophobicContact CZ3-CE1 4.47Å; W62-Y66 PolarHBondContact O-N 2.73Å; T63-Y66 PolarHBondContact O-N 3.06Å; Y66-S68 VanDerWaalsContact C-N 3.31Å; Y66-S68 PolarHBondContact O-N 3.38Å; Y66-L69 HydrophobicContact CD1-CD2 4.16Å; Y66-L69 PolarHBondContact O-N 3.47Å; Y66-L70 WeakPolarHBondContact O-CB 3.27Å; Y66-L70 PolarHBondContact O-N 2.95Å; Y66-P106 HydrophobicContact CG-CG 4.46Å; Y66-P106 WeakPolarHBondContact O-CG 3.14Å
67	Y	90.9	Very high	85.5	Confident	14 Å²	14	44.3 Å²	44.3	6%	0.055	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-44.8	171	-174.4	-98.4	0	0	0	111	V46 L48 T63 V64 Y65 L70 Q71 T82 L128	V46-Y67 HydrophobicContact CG1-CE2 4.47Å; V46-Y67 HydrophobicContact CG2-CE1 4.32Å; L48-Y67 HydrophobicContact CD1-CD1 4.49Å; L48-Y67 HydrophobicContact CD1-CG 4.15Å; L48-Y67 HydrophobicContact CD2-CD2 3.75Å; L48-Y67 HydrophobicContact CD2-CE2 4.2Å; L48-Y67 HydrophobicContact CD2-CG 3.94Å; T63-Y67 WeakPolarHBondContact O-CB 3.32Å; T63-Y67 PolarHBondContact O-N 3.06Å; V64-Y67 PolarHBondContact O-N 3.21Å; Y65-Y67 PolarHBondContact O-N 2.84Å; Y67-L70 WeakPolarHBondContact O-CB 3.18Å; Y67-L70 PolarHBondContact O-N 3.39Å; Y67-Q71 HydrophobicContact CD1-CG 4.32Å; Y67-Q71 HydrophobicContact CE1-CG 3.94Å; Y67-Q71 WeakPolarHBondContact O-CG 3.23Å; Y67-Q71 PolarHBondContact O-N 2.98Å; Y67-Q71 VanDerWaalsContact O-N 3.07Å; Y67-T82 HydrophobicContact CE2-CG2 4.44Å; Y67-L128 HydrophobicContact CD2-CD1 3.88Å; Y67-L128 HydrophobicContact CG-CD1 4.34Å
68	S	89.1	Confident	85.8	Confident	33 Å²	33	40.9 Å²	40.9	23%	0.231	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-40.1	177.4	-54.2	0	0	0	0	112.5	V64 Y65 Y66 Q71 S72	V64-S68 WeakPolarHBondContact O-CB 3.43Å; V64-S68 PolarHBondContact O-N 2.86Å; V64-S68 PolarHBondContact O-OG 2.92Å; Y65-S68 WeakPolarHBondContact O-CB 3.5Å; Y65-S68 PolarHBondContact O-N 3.2Å; Y66-S68 VanDerWaalsContact C-N 3.31Å; Y66-S68 PolarHBondContact O-N 3.38Å; S68-Q71 PolarHBondContact O-N 2.9Å; S68-S72 PolarHBondContact O-N 3.49Å
69	L	89	Confident	86.4	Confident	16 Å²	16	38.6 Å²	38.6	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-62.2	-43.4	174.8	176.7	58.9	0	0	0	110.9	F38 Y65 Y66 Q71 S72 C73	F38-L69 HydrophobicContact CE1-CB 4.48Å; F38-L69 HydrophobicContact CE1-CD1 3.66Å; F38-L69 HydrophobicContact CE2-CB 4.06Å; F38-L69 HydrophobicContact CZ-CB 3.81Å; F38-L69 HydrophobicContact CZ-CD1 3.59Å; F38-L69 HydrophobicContact CZ-CG 4.25Å; Y65-L69 HydrophobicContact CE1-CD2 4.23Å; Y65-L69 WeakPolarHBondContact O-CB 3.35Å; Y65-L69 PolarHBondContact O-N 2.9Å; Y66-L69 HydrophobicContact CD1-CD2 4.16Å; Y66-L69 PolarHBondContact O-N 3.47Å; L69-Q71 PolarHBondContact O-N 3.32Å; L69-S72 PolarHBondContact O-N 3.39Å; L69-C73 WeakPolarHBondContact O-CB 3.27Å; L69-C73 PolarHBondContact O-N 2.91Å; L69-C73 PolarHBondContact O-SG 2.97Å
70	L	91.3	Very high	87	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-48.5	174.6	175	64.3	0	0	0	111.3	Y66 Y67 S72 C73 L74 P106 L110 L126 V153 F155	Y66-L70 WeakPolarHBondContact O-CB 3.27Å; Y66-L70 PolarHBondContact O-N 2.95Å; Y67-L70 WeakPolarHBondContact O-CB 3.18Å; Y67-L70 PolarHBondContact O-N 3.39Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 2.83Å; L70-C73 WeakPolarHBondContact O-CB 3.48Å; L70-C73 PolarHBondContact O-N 3.41Å; L70-L74 HydrophobicContact CD1-CD1 4.11Å; L70-L74 HydrophobicContact CD1-CG 4.11Å; L70-L74 HydrophobicContact CG-CD1 4.05Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 3.3Å; L70-P106 HydrophobicContact CB-CB 3.87Å; L70-P106 HydrophobicContact CB-CG 3.98Å; L70-P106 HydrophobicContact CD1-CB 4.13Å; L70-L110 HydrophobicContact CD1-CD1 4.4Å; L70-L126 HydrophobicContact CD1-CD2 4.48Å; L70-L126 HydrophobicContact CD2-CD2 4.3Å; L70-V153 HydrophobicContact CD2-CB 4.41Å; L70-V153 HydrophobicContact CD2-CG1 4.05Å; L70-V153 HydrophobicContact CD2-CG2 4.14Å; L70-F155 HydrophobicContact CD1-CZ 4.06Å
71	Q	91.6	Very high	87.5	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-41.5	178.8	-60.6	-36.1	-58.4	0	0	111.8	W42 Y67 S68 L69 C73 L74 Q75 E81 T82	W42-Q71 HydrophobicContact CD2-CB 4.02Å; W42-Q71 HydrophobicContact CE3-CB 4.39Å; W42-Q71 HydrophobicContact CG-CB 4.22Å; Y67-Q71 HydrophobicContact CD1-CG 4.32Å; Y67-Q71 HydrophobicContact CE1-CG 3.94Å; Y67-Q71 WeakPolarHBondContact O-CG 3.23Å; Y67-Q71 PolarHBondContact O-N 2.98Å; Y67-Q71 VanDerWaalsContact O-N 3.07Å; S68-Q71 PolarHBondContact O-N 2.9Å; L69-Q71 PolarHBondContact O-N 3.32Å; Q71-C73 PolarHBondContact O-N 2.89Å; Q71-L74 PolarHBondContact O-N 3.48Å; Q71-Q75 WeakPolarHBondContact O-CB 3.46Å; Q71-Q75 PolarHBondContact O-N 3.2Å; Q71-E81 HydrophobicContact CG-CG 4.42Å; Q71-T82 PolarHBondContact NE2-OG1 3.07Å; Q71-T82 PolarHBondContact OE1-OG1 3.31Å
72	S	88.6	Confident	88	Confident	4 Å²	4	35.7 Å²	35.7	3%	0.028	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-44.2	174.8	-173.6	0	0	0	0	112.1	F38 S68 L69 L70 Q75 Q76	F38-S72 VanDerWaalsContact CD1-CB 3.45Å; F38-S72 WeakPolarHBondContact CD1-OG 3.38Å; S68-S72 PolarHBondContact O-N 3.49Å; L69-S72 PolarHBondContact O-N 3.39Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 2.83Å; S72-Q75 PolarHBondContact O-N 3.14Å; S72-Q76 WeakPolarHBondContact O-CB 3.4Å; S72-Q76 VanDerWaalsContact O-CG 3.24Å; S72-Q76 WeakPolarHBondContact O-CG 3.43Å; S72-Q76 PolarHBondContact O-N 2.97Å; S72-Q76 PolarHBondContact OG-NE2 3.33Å
73	C	87.4	Confident	88.5	Confident	16 Å²	16	38.7 Å²	38.7	11%	0.108	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-45.4	177.5	-74.7	0	0	0	0	111.9	L69 L70 Q71 Q76 A77 L110	L69-C73 WeakPolarHBondContact O-CB 3.27Å; L69-C73 PolarHBondContact O-N 2.91Å; L69-C73 PolarHBondContact O-SG 2.97Å; L70-C73 WeakPolarHBondContact O-CB 3.48Å; L70-C73 PolarHBondContact O-N 3.41Å; Q71-C73 PolarHBondContact O-N 2.89Å; C73-Q76 PolarHBondContact O-N 2.94Å; C73-A77 WeakPolarHBondContact O-CB 3.47Å; C73-A77 PolarHBondContact O-N 3.49Å; C73-A77 VanDerWaalsContact O-N 3.07Å; C73-L110 HydrophobicContact CB-CD2 3.9Å
74	L	87.9	Confident	88.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-46.3	176.8	-68.2	172.3	0	0	0	111.2	L70 Q71 Q76 A77 G78 L79 L110 T161	L70-L74 HydrophobicContact CD1-CD1 4.11Å; L70-L74 HydrophobicContact CD1-CG 4.11Å; L70-L74 HydrophobicContact CG-CD1 4.05Å; L70-L74 HydrophobicContact CG-CG 4.45Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 3.3Å; Q71-L74 PolarHBondContact O-N 3.48Å; L74-Q76 PolarHBondContact O-N 3.4Å; L74-A77 CarbonylContact O-C 3.54Å; L74-A77 PolarHBondContact O-N 3.5Å; L74-G78 PolarHBondContact O-N 2.88Å; L74-L79 HydrophobicContact CB-CB 4.25Å; L74-L79 HydrophobicContact CD2-CB 4.03Å; L74-L79 HydrophobicContact CD2-CD1 3.94Å; L74-L79 WeakPolarHBondContact O-CB 3.44Å; L74-L79 PolarHBondContact O-N 2.97Å; L74-L110 HydrophobicContact CD2-CD1 4.45Å; L74-T161 HydrophobicContact CD1-CG2 4.26Å; L74-T161 HydrophobicContact CD2-CG2 4.37Å
75	Q	86.7	Confident	88.9	Confident	99 Å²	99	42.1 Å²	42.1	46%	0.463	23%	0.227	S	C	.	.	H	α-helix	trans	-59.4	-48.2	177.5	-175.7	-170.1	35.6	0	0	112.3	W42 Q71 S72 A77 G78	W42-Q75 HydrophobicContact CH2-CB 3.59Å; W42-Q75 HydrophobicContact CH2-CG 3.68Å; W42-Q75 HydrophobicContact CZ2-CB 4.16Å; W42-Q75 HydrophobicContact CZ2-CG 4.36Å; W42-Q75 VanDerWaalsContact CZ2-OE1 3.23Å; Q71-Q75 WeakPolarHBondContact O-CB 3.46Å; Q71-Q75 PolarHBondContact O-N 3.2Å; S72-Q75 PolarHBondContact O-N 3.14Å; Q75-A77 PolarHBondContact O-N 3.29Å; Q75-G78 PolarHBondContact O-N 2.62Å
76	Q	83.4	Confident	88.7	Confident	143 Å²	143	40.8 Å²	40.8	67%	0.668	22%	0.221	S	C	*	.	H	α-helix	trans	-63.1	-31.2	-179.6	-73.2	173.3	7.1	0	0	112	S72 C73 L74 G78	S72-Q76 WeakPolarHBondContact O-CB 3.4Å; S72-Q76 VanDerWaalsContact O-CG 3.24Å; S72-Q76 WeakPolarHBondContact O-CG 3.43Å; S72-Q76 PolarHBondContact O-N 2.97Å; S72-Q76 PolarHBondContact OG-NE2 3.33Å; C73-Q76 PolarHBondContact O-N 2.94Å; L74-Q76 PolarHBondContact O-N 3.4Å; Q76-G78 VanDerWaalsContact C-N 3.27Å; Q76-G78 PolarHBondContact O-N 3.09Å
77	A	80.8	Confident	88.4	Confident	30 Å²	30	46.6 Å²	46.6	25%	0.248	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-0.3	173.9	0	0	0	0	0	114	C73 L74 Q75 L79	C73-A77 WeakPolarHBondContact O-CB 3.47Å; C73-A77 PolarHBondContact O-N 3.49Å; C73-A77 VanDerWaalsContact O-N 3.07Å; L74-A77 CarbonylContact O-C 3.54Å; L74-A77 PolarHBondContact O-N 3.5Å; Q75-A77 PolarHBondContact O-N 3.29Å; A77-L79 VanDerWaalsContact C-N 3.28Å; A77-L79 HydrophobicContact CB-CD1 3.92Å; A77-L79 HydrophobicContact CB-CG 3.92Å; A77-L79 PolarHBondContact O-N 3.44Å
78	G	84.6	Confident	88.1	Confident	59 Å²	59	49 Å²	49	61%	0.608	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	21.6	-176.4	0	0	0	0	0	114.1	L74 Q75 Q76	L74-G78 PolarHBondContact O-N 2.88Å; Q75-G78 PolarHBondContact O-N 2.62Å; Q76-G78 VanDerWaalsContact C-N 3.27Å; Q76-G78 PolarHBondContact O-N 3.09Å
79	L	87.9	Confident	87.9	Confident	43 Å²	43	49.8 Å²	49.8	23%	0.225	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-97.2	155.8	-178	-60.9	177.9	0	0	0	111.5	L74 A77 L114	L74-L79 HydrophobicContact CB-CB 4.25Å; L74-L79 HydrophobicContact CD2-CB 4.03Å; L74-L79 HydrophobicContact CD2-CD1 3.94Å; L74-L79 WeakPolarHBondContact O-CB 3.44Å; L74-L79 PolarHBondContact O-N 2.97Å; A77-L79 VanDerWaalsContact C-N 3.28Å; A77-L79 HydrophobicContact CB-CD1 3.92Å; A77-L79 HydrophobicContact CB-CG 3.92Å; A77-L79 PolarHBondContact O-N 3.44Å; L79-L114 HydrophobicContact CD1-CD1 3.97Å; L79-L114 HydrophobicContact CD1-CD2 3.71Å
80	P	90.8	Very high	87.8	Confident	55 Å²	55	51.9 Å²	51.9	36%	0.357	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-67.2	150.4	180	26.9	-33.9	0	0	0	112.8	L160	P80-L160 HydrophobicContact CG-CD2 3.86Å
81	E	92.1	Very high	87.1	Confident	66 Å²	66	57.7 Å²	57.7	31%	0.308	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-60.3	150.1	172.2	-165	-176	173.7	0	0	111	W42 R43 Q71 Q83	W42-E81 HydrophobicContact CE3-CG 4.19Å; R43-E81 PolarHBondContact N-OE1 3.14Å; Q71-E81 HydrophobicContact CG-CG 4.42Å; E81-Q83 PolarHBondContact O-N 2.87Å
82	T	93.9	Very high	86	Confident	8 Å²	8	59.7 Å²	59.7	5%	0.049	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-61.7	129	175.2	-57.9	0	0	0	0	111.4	Y67 Q71 V153 T161 L163	Y67-T82 HydrophobicContact CE2-CG2 4.44Å; Q71-T82 PolarHBondContact NE2-OG1 3.07Å; Q71-T82 PolarHBondContact OE1-OG1 3.31Å; T82-V153 HydrophobicContact CG2-CG1 3.98Å; T82-T161 VanDerWaalsContact CA-OG1 3.23Å; T82-T161 WeakPolarHBondContact CA-OG1 3.42Å; T82-T161 WeakPolarHBondContact CB-OG1 3.44Å; T82-T161 PolarHBondContact OG1-OG1 3.04Å; T82-L163 HydrophobicContact CG2-CB 4.26Å
83	Q	93.6	Very high	84.5	Confident	99 Å²	99	64.1 Å²	64.1	46%	0.463	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.1	176.2	-66.3	-179.4	40	0	0	110.6	E81 R85 T161 F162 L163	E81-Q83 PolarHBondContact O-N 2.87Å; Q83-R85 PolarHBondContact O-N 3.19Å; Q83-T161 PolarHBondContact N-O 2.99Å; Q83-F162 HydrophobicContact CB-CD1 3.7Å; Q83-F162 HydrophobicContact CB-CE1 4.03Å; Q83-F162 HydrophobicContact CG-CD1 4.49Å; Q83-F162 HydrophobicContact CG-CE1 4.37Å; Q83-F162 CarbonylContact O-C 3.36Å; Q83-F162 VanDerWaalsContact O-CA 3.27Å; Q83-F162 WeakPolarHBondContact O-CA 3.41Å; Q83-L163 PolarHBondContact O-N 3.2Å
84	D	91.3	Very high	83.2	Confident	62 Å²	62	67 Å²	67	33%	0.332	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	116.2	175.7	-173.1	1.7	0	0	0	111.2	S86	D84-S86 WeakPolarHBondContact OD1-CB 3.32Å; D84-S86 PolarHBondContact OD1-N 2.85Å; D84-S86 PolarHBondContact OD1-OG 3.47Å; D84-S86 PolarHBondContact OD2-OG 3.02Å
85	R	90.3	Very high	81.9	Confident	79 Å²	79	68.4 Å²	68.4	30%	0.298	40%	0.404	S	S	.	.			trans	-116.3	11.5	175.3	-79	177.4	42.2	-163.6	-19.1	112.8	Q83 Q87 A88 R90 F162 L163 D164	Q83-R85 PolarHBondContact O-N 3.19Å; R85-Q87 PolarHBondContact O-N 3.21Å; R85-A88 CarbonylContact O-C 3.38Å; R85-A88 PolarHBondContact O-N 3.21Å; R85-R90 VanDerWaalsContact NH2-CD 3.3Å; R85-F162 HydrophobicContact CG-CD1 4.16Å; R85-L163 CarbonylContact C-O 3.6Å; R85-L163 WeakPolarHBondContact CA-O 3.24Å; R85-L163 WeakPolarHBondContact CB-O 3.42Å; R85-L163 PolarHBondContact N-O 2.9Å; R85-D164 IonicContact CZ-OD1 3.01Å; R85-D164 IonicContact NE-OD1 2.62Å; R85-D164 PolarHBondContact NE-OD1 2.96Å; R85-D164 IonicContact NH2-OD1 3.81Å; R85-D164 PolarHBondContact NH2-OD1 2.74Å; R85-D164 IonicContact NH2-OD2 3.25Å
86	S	82.2	Confident	81.2	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.014	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.2	-179.6	62.5	0	0	0	0	113.9	D84 A88 L163	D84-S86 WeakPolarHBondContact OD1-CB 3.32Å; D84-S86 PolarHBondContact OD1-N 2.85Å; D84-S86 PolarHBondContact OD1-OG 3.47Å; D84-S86 PolarHBondContact OD2-OG 3.02Å; S86-A88 VanDerWaalsContact C-N 3.32Å; S86-L163 PolarHBondContact N-O 2.86Å
87	Q	82.5	Confident	81.2	Confident	147 Å²	147	62.7 Å²	62.7	69%	0.687	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.7	175.4	-58.2	-59.3	-29.7	0	0	113.9	R85	R85-Q87 PolarHBondContact O-N 3.21Å
88	A	86.3	Confident	81.6	Confident	65 Å²	65	61.4 Å²	61.4	54%	0.537	37%	0.373	S	S	.	.	S	Bend	trans	-123.6	79.4	176	0	0	0	0	0	109.2	R85 S86 R90	R85-A88 CarbonylContact O-C 3.38Å; R85-A88 PolarHBondContact O-N 3.21Å; S86-A88 VanDerWaalsContact C-N 3.32Å; A88-R90 PolarHBondContact O-N 3.24Å
89	P	83.8	Confident	82	Confident	50 Å²	50	58.7 Å²	58.7	33%	0.325	35%	0.345	S	S	.	.			trans	-55.3	139.3	-175.1	-24.5	33.4	0	0	0	112	T91 D165 V167	P89-T91 PolarHBondContact O-N 3.29Å; P89-D165 CarbonylContact C-O 3.21Å; P89-D165 WeakPolarHBondContact CA-O 3.32Å; P89-D165 HydrophobicContact CB-CB 4.38Å; P89-V167 HydrophobicContact CB-CB 4.16Å; P89-V167 HydrophobicContact CB-CG2 3.85Å; P89-V167 HydrophobicContact CG-CG2 4.4Å
90	R	86.4	Confident	82.4	Confident	59 Å²	59	56.6 Å²	56.6	22%	0.223	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-70.7	115.8	175	-76.1	-177.5	68.7	-177.7	-5.3	109.3	R85 A88 G122 D164 D165 F166 V167	R85-R90 VanDerWaalsContact NH2-CD 3.3Å; A88-R90 PolarHBondContact O-N 3.24Å; R90-G122 PolarHBondContact NH1-O 3.31Å; R90-G122 PolarHBondContact NH2-O 3.3Å; R90-D164 VanDerWaalsContact CD-OD1 3.31Å; R90-D164 WeakPolarHBondContact CD-OD1 3.41Å; R90-D164 WeakPolarHBondContact CD-OD2 3.32Å; R90-D164 HydrophobicContact CG-CB 4.35Å; R90-D164 IonicContact NH1-OD2 3.16Å; R90-D164 PolarHBondContact NH1-OD2 3.28Å; R90-D165 PolarHBondContact N-O 2.7Å; R90-F166 HydrophobicContact CB-CD1 4Å; R90-F166 HydrophobicContact CB-CE1 4.22Å; R90-V167 PolarHBondContact O-N 3.12Å
91	T	76.9	Confident	82.6	Confident	122 Å²	122	54 Å²	54	75%	0.748	32%	0.317	S	S	*	.			trans	-95.3	136.9	172.5	58.5	0	0	0	0	110	P89 V167	P89-T91 PolarHBondContact O-N 3.29Å; T91-V167 WeakPolarHBondContact CA-O 3.33Å
92	G	68.3	Low	82.8	Confident	45 Å²	45	50.9 Å²	50.9	46%	0.464	30%	0.302	S	S	.	.			trans	-174.9	175.5	178	0	0	0	0	0	111.2	P94	G92-P94 VanDerWaalsContact O-CD 3.26Å; G92-P94 WeakPolarHBondContact O-CD 3.41Å
93	C	57.5	Low	82.7	Confident	96 Å²	96	51 Å²	51	65%	0.649	30%	0.303	S	S	*	.			trans	-78.9	110.9	177.3	-67.5	0	0	0	0	110.1	G95 A96	C93-G95 PolarHBondContact O-N 3.33Å; C93-A96 HydrophobicContact CB-CB 4.32Å
94	P	59.5	Low	82.4	Confident	76 Å²	76	46.7 Å²	46.7	49%	0.494	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	122.6	179.9	26.4	-32.3	0	0	0	109.9	G92 P168	G92-P94 VanDerWaalsContact O-CD 3.26Å; G92-P94 WeakPolarHBondContact O-CD 3.41Å; P94-P168 HydrophobicContact CB-CG 4.06Å; P94-P168 HydrophobicContact CG-CB 4.27Å; P94-P168 HydrophobicContact CG-CG 3.51Å
95	G	62	Low	82.2	Confident	32 Å²	32	44.8 Å²	44.8	33%	0.33	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	4.1	173.5	0	0	0	0	0	116.9	C93 L513	C93-G95 PolarHBondContact O-N 3.33Å; G95-L513 VanDerWaalsContact O-CD2 3.31Å; G95-L513 WeakPolarHBondContact O-CD2 3.42Å
96	A	70.7	Confident	82.1	Confident	40 Å²	40	41 Å²	41	33%	0.331	26%	0.262	S	S	.	.	S	Bend	trans	-103.7	8.8	176	0	0	0	0	0	113.8	C93 L845	C93-A96 HydrophobicContact CB-CB 4.32Å; A96-L845 HydrophobicContact CB-CD2 3.85Å; A96-L845 WeakPolarHBondContact O-CD2 3.42Å
97	E	82.9	Confident	82.2	Confident	82 Å²	82	42.6 Å²	42.6	38%	0.383	27%	0.273	S	S	.	.	S	Bend	trans	-135.6	146.8	-173.8	-61.5	-178.8	167	0	0	111.6	T99 R170	E97-T99 PolarHBondContact O-N 3.46Å; E97-T99 PolarHBondContact O-OG1 2.8Å; E97-R170 VanDerWaalsContact CB-NH2 3.28Å; E97-R170 IonicContact OE2-CZ 2.83Å; E97-R170 IonicContact OE2-NE 3.21Å; E97-R170 IonicContact OE2-NH2 3.39Å; E97-R170 PolarHBondContact OE2-NH2 2.9Å
98	V	90.3	Very high	82.4	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.018	25%	0.248	C	C	.	.			trans	-59.8	123.8	169.5	168.4	0	0	0	0	109.4	L100 N123 R170 L506 S509 L513 A848	V98-L100 HydrophobicContact CG1-CD2 3.97Å; V98-L100 HydrophobicContact CG1-CG 4.05Å; V98-N123 WeakPolarHBondContact O-CB 3.4Å; V98-N123 PolarHBondContact O-OD1 2.83Å; V98-R170 PolarHBondContact O-NH2 3.25Å; V98-L506 HydrophobicContact CG1-CD2 3.84Å; V98-S509 WeakPolarHBondContact CG1-OG 3.32Å; V98-L513 HydrophobicContact CG2-CD1 3.84Å; V98-A848 HydrophobicContact CB-CB 4.04Å; V98-A848 HydrophobicContact CG1-CB 4.09Å; V98-A848 HydrophobicContact CG2-CB 3.77Å
99	T	93.2	Very high	82.5	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	23%	0.225	C	C	.	.			trans	-132.8	97.9	-178.8	-55.1	0	0	0	0	108.9	E97 L125 V149 R170 R171 T173 Y174	E97-T99 PolarHBondContact O-N 3.46Å; E97-T99 PolarHBondContact O-OG1 2.8Å; T99-L125 HydrophobicContact CG2-CD1 3.69Å; T99-V149 HydrophobicContact CG2-CG2 4.36Å; T99-R170 HydrophobicContact CG2-CG 3.98Å; T99-R170 WeakPolarHBondContact OG1-CD 3.42Å; T99-R170 WeakPolarHBondContact OG1-CG 3.34Å; T99-R170 PolarHBondContact OG1-NE 3.32Å; T99-R171 VanDerWaalsContact CB-O 3.27Å; T99-R171 WeakPolarHBondContact CB-O 3.35Å; T99-R171 PolarHBondContact OG1-O 3.1Å; T99-T173 PolarHBondContact N-OG1 3.4Å; T99-T173 PolarHBondContact O-N 3.03Å; T99-T173 PolarHBondContact O-OG1 3.4Å; T99-T173 VanDerWaalsContact O-OG1 3.13Å; T99-Y174 PolarHBondContact O-N 2.89Å
100	L	95.6	Very high	82.8	Confident	0 Å²	0	33 Å²	33	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	109.7	177.8	-53.9	-174.6	0	0	0	108.4	V98 N123 M124 L125 Y174 M505 L506	V98-L100 HydrophobicContact CG1-CD2 3.97Å; V98-L100 HydrophobicContact CG1-CG 4.05Å; L100-N123 PolarHBondContact N-O 3.5Å; L100-M124 HydrophobicContact CB-CE 3.97Å; L100-M124 HydrophobicContact CB-SD 3.95Å; L100-M124 HydrophobicContact CD1-CE 3.52Å; L100-M124 HydrophobicContact CG-CE 4.42Å; L100-L125 WeakPolarHBondContact O-CB 3.4Å; L100-L125 PolarHBondContact O-N 3.04Å; L100-Y174 HydrophobicContact CD2-CG 4.25Å; L100-M505 HydrophobicContact CB-CE 4.09Å; L100-M505 HydrophobicContact CD1-CB 4.03Å; L100-M505 HydrophobicContact CD1-CE 4.28Å; L100-M505 HydrophobicContact CD2-CB 4.02Å; L100-L506 HydrophobicContact CD1-CD2 3.67Å; L100-L506 HydrophobicContact CD1-CG 4.17Å; L100-L506 HydrophobicContact CG-CD2 4.36Å
101	C	96.1	Very high	82.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.2	-177	180	0	0	0	0	110.9	C127 V149 A172 Y174 F175 L176	C101-C127 VanDerWaalsContact SG-SG 3.62Å; C101-V149 HydrophobicContact CB-CG2 4.25Å; C101-A172 HydrophobicContact CB-CB 4.09Å; C101-Y174 PolarHBondContact N-O 3.25Å; C101-F175 HydrophobicContact CB-CD2 3.99Å; C101-F175 CarbonylContact O-C 3.57Å; C101-F175 WeakPolarHBondContact O-CA 3.31Å; C101-F175 WeakPolarHBondContact O-CD2 3.34Å; C101-L176 PolarHBondContact O-N 3.39Å
102	V	95.4	Very high	83.5	Confident	0 Å²	0	25 Å²	25	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.1	174.6	-176.3	0	0	0	0	109.4	F109 L113 M124 L125 L126 C127 L176 M505	V102-F109 HydrophobicContact CG1-CB 4.02Å; V102-F109 HydrophobicContact CG1-CD1 4.05Å; V102-F109 HydrophobicContact CG1-CD2 3.9Å; V102-F109 HydrophobicContact CG1-CE2 4.38Å; V102-F109 HydrophobicContact CG1-CG 3.72Å; V102-L113 HydrophobicContact CB-CD2 4.13Å; V102-L113 HydrophobicContact CG2-CD2 4.08Å; V102-M124 HydrophobicContact CG2-SD 3.87Å; V102-L125 PolarHBondContact N-O 2.87Å; V102-L126 HydrophobicContact CG1-CD1 4.47Å; V102-C127 PolarHBondContact O-N 3.21Å; V102-L176 CarbonylContact C-O 3.53Å; V102-L176 VanDerWaalsContact CA-O 3.28Å; V102-L176 WeakPolarHBondContact CA-O 3.48Å; V102-L176 HydrophobicContact CG2-CB 4.37Å; V102-M505 HydrophobicContact CG2-CE 4.24Å
103	L	92.9	Very high	84.6	Confident	11 Å²	11	22.9 Å²	22.9	6%	0.058	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	107	172.8	175.3	67.1	0	0	0	108.7	C127 P130 L133 F175 L176 A177 G178 A189 L192	L103-C127 HydrophobicContact CD1-CB 4.13Å; L103-C127 WeakPolarHBondContact CD1-O 3.26Å; L103-P130 HydrophobicContact CD1-CG 4.46Å; L103-P130 HydrophobicContact CD2-CG 4.36Å; L103-L133 HydrophobicContact CD2-CD1 4.16Å; L103-F175 HydrophobicContact CB-CE2 3.82Å; L103-F175 HydrophobicContact CB-CZ 3.91Å; L103-F175 HydrophobicContact CD2-CZ 4.02Å; L103-L176 PolarHBondContact N-O 3.27Å; L103-A177 CarbonylContact O-C 3.53Å; L103-A177 WeakPolarHBondContact O-CA 3.49Å; L103-G178 PolarHBondContact O-N 3.41Å; L103-A189 HydrophobicContact CD2-CB 3.71Å; L103-A189 HydrophobicContact CG-CB 4.49Å; L103-L192 HydrophobicContact CD2-CD1 4.02Å
104	G	87.4	Confident	86.2	Confident	9 Å²	9	20.4 Å²	20.4	9%	0.093	13%	0.131	C	C	.	.	S	Bend	trans	173.8	-174	-178.9	0	0	0	0	0	114
105	S	86.2	Confident	87.5	Confident	22 Å²	22	18.6 Å²	18.6	15%	0.154	12%	0.116	C	C	.	.			trans	-63	127.6	177.2	-176.3	0	0	0	0	110.8	S107 T108 F109	S105-S107 PolarHBondContact O-N 3.42Å; S105-S107 PolarHBondContact OG-N 2.81Å; S105-S107 PolarHBondContact OG-OG 3.21Å; S105-T108 PolarHBondContact O-N 2.88Å; S105-F109 PolarHBondContact O-N 3.37Å
106	P	88.3	Confident	88.9	Confident	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55.1	-36.9	173.6	-19.5	24.4	0	0	0	113.1	Y66 L70 T108 L110 L126 L128	Y66-P106 HydrophobicContact CG-CG 4.46Å; Y66-P106 WeakPolarHBondContact O-CG 3.14Å; L70-P106 HydrophobicContact CB-CB 3.87Å; L70-P106 HydrophobicContact CB-CG 3.98Å; L70-P106 HydrophobicContact CD1-CB 4.13Å; P106-T108 PolarHBondContact O-N 3.03Å; P106-L110 WeakPolarHBondContact O-CA 3.39Å; P106-L110 VanDerWaalsContact O-CB 3.27Å; P106-L110 WeakPolarHBondContact O-CB 3.45Å; P106-L110 PolarHBondContact O-N 2.78Å; P106-L126 HydrophobicContact CB-CD2 4.13Å; P106-L126 HydrophobicContact CG-CD2 4.13Å; P106-L128 HydrophobicContact CG-CD2 4.05Å
107	S	85	Confident	89.8	Confident	34 Å²	34	15.1 Å²	15.1	24%	0.238	9%	0.085	C	C	.	.	H	α-helix	trans	-64	-42.6	-178.3	60.2	0	0	0	0	112.8	S105	S105-S107 PolarHBondContact O-N 3.42Å; S105-S107 PolarHBondContact OG-N 2.81Å; S105-S107 PolarHBondContact OG-OG 3.21Å
108	T	84.9	Confident	89.9	Confident	26 Å²	26	13.8 Å²	13.8	16%	0.16	8%	0.082	C	C	.	.	H	α-helix	trans	-70.9	-40.4	-178.7	-53.3	0	0	0	0	111.9	S105 P106	S105-T108 PolarHBondContact O-N 2.88Å; P106-T108 PolarHBondContact O-N 3.03Å
109	F	89.5	Confident	89.6	Confident	11 Å²	11	14.3 Å²	14.3	5%	0.048	8%	0.084	C	C	.	.	H	α-helix	trans	-97.6	-1.4	-174.3	-68.2	-70.7	0	0	0	114.2	V102 S105 P111 V112 L113 L176	V102-F109 HydrophobicContact CG1-CB 4.02Å; V102-F109 HydrophobicContact CG1-CD1 4.05Å; V102-F109 HydrophobicContact CG1-CD2 3.9Å; V102-F109 HydrophobicContact CG1-CE2 4.38Å; V102-F109 HydrophobicContact CG1-CG 3.72Å; S105-F109 PolarHBondContact O-N 3.37Å; F109-P111 VanDerWaalsContact C-CD 3.42Å; F109-P111 VanDerWaalsContact C-N 3.32Å; F109-V112 HydrophobicContact CD1-CG2 4.43Å; F109-V112 WeakPolarHBondContact O-CB 3.27Å; F109-V112 PolarHBondContact O-N 3.45Å; F109-L113 HydrophobicContact CB-CD1 4.07Å; F109-L113 HydrophobicContact CB-CG 4.24Å; F109-L113 VanDerWaalsContact O-CG 3.28Å; F109-L113 WeakPolarHBondContact O-CG 3.35Å; F109-L113 PolarHBondContact O-N 2.91Å; F109-L176 HydrophobicContact CD1-CD2 4.09Å; F109-L176 HydrophobicContact CE1-CD2 3.65Å; F109-L176 HydrophobicContact CE1-CG 4.08Å; F109-L176 HydrophobicContact CZ-CD2 4.5Å; F109-L176 HydrophobicContact CZ-CG 4.47Å
110	L	89.3	Confident	89.3	Confident	24 Å²	24	14.4 Å²	14.4	13%	0.126	9%	0.085	C	C	.	.	H	α-helix	trans	-49.4	-45.4	-178.9	-169.7	68.6	0	0	0	113.3	L70 C73 L74 P106 V112 L113 L114 F155	L70-L110 HydrophobicContact CD1-CD1 4.4Å; C73-L110 HydrophobicContact CB-CD2 3.9Å; L74-L110 HydrophobicContact CD2-CD1 4.45Å; P106-L110 WeakPolarHBondContact O-CA 3.39Å; P106-L110 VanDerWaalsContact O-CB 3.27Å; P106-L110 WeakPolarHBondContact O-CB 3.45Å; P106-L110 PolarHBondContact O-N 2.78Å; L110-V112 VanDerWaalsContact C-N 3.34Å; L110-V112 PolarHBondContact O-N 3.27Å; L110-L113 PolarHBondContact O-N 2.92Å; L110-L114 HydrophobicContact CD1-CD1 4.26Å; L110-L114 HydrophobicContact CD1-CG 4.18Å; L110-L114 HydrophobicContact CD2-CD1 4.38Å; L110-L114 HydrophobicContact CG-CD1 3.87Å; L110-L114 HydrophobicContact CG-CG 4.19Å; L110-L114 WeakPolarHBondContact O-CB 3.36Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.2Å; L110-F155 HydrophobicContact CD1-CE1 4.48Å
111	P	87.3	Confident	88.9	Confident	13 Å²	13	16.8 Å²	16.8	8%	0.084	10%	0.1	C	C	.	.	H	α-helix	trans	-61.9	-42.4	179.1	-22.7	35.7	0	0	0	112.3	F109 E115 G478 A498	F109-P111 VanDerWaalsContact C-CD 3.42Å; F109-P111 VanDerWaalsContact C-N 3.32Å; P111-E115 VanDerWaalsContact O-CB 3.23Å; P111-E115 WeakPolarHBondContact O-CB 3.27Å; P111-E115 PolarHBondContact O-N 2.86Å; P111-G478 VanDerWaalsContact CG-CA 3.43Å; P111-A498 HydrophobicContact CB-CB 4.39Å
112	V	90.6	Very high	88.6	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.9	-40.3	177.4	-174.8	0	0	0	0	111.3	F109 L110 G116 M124 L474 A498 L501 V502 M505	F109-V112 HydrophobicContact CD1-CG2 4.43Å; F109-V112 WeakPolarHBondContact O-CB 3.27Å; F109-V112 PolarHBondContact O-N 3.45Å; L110-V112 VanDerWaalsContact C-N 3.34Å; L110-V112 PolarHBondContact O-N 3.27Å; V112-G116 PolarHBondContact O-N 3.45Å; V112-M124 HydrophobicContact CG1-CE 4.44Å; V112-L474 HydrophobicContact CG2-CD1 4.34Å; V112-A498 HydrophobicContact CB-CB 4.12Å; V112-A498 HydrophobicContact CG2-CB 3.71Å; V112-L501 HydrophobicContact CG1-CD2 4.38Å; V112-L501 HydrophobicContact CG2-CD2 4.02Å; V112-V502 HydrophobicContact CG1-CG2 3.96Å; V112-M505 HydrophobicContact CG1-SD 3.96Å
113	L	93.1	Very high	88.4	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-69.8	-43.8	-179.2	-67.5	165.9	0	0	0	112	V102 F109 L110 G117 M124 L126 F155	V102-L113 HydrophobicContact CB-CD2 4.13Å; V102-L113 HydrophobicContact CG2-CD2 4.08Å; F109-L113 HydrophobicContact CB-CD1 4.07Å; F109-L113 HydrophobicContact CB-CG 4.24Å; F109-L113 VanDerWaalsContact O-CG 3.28Å; F109-L113 WeakPolarHBondContact O-CG 3.35Å; F109-L113 PolarHBondContact O-N 2.91Å; L110-L113 PolarHBondContact O-N 2.92Å; L113-G117 PolarHBondContact O-N 3.45Å; L113-M124 HydrophobicContact CD2-CG 3.88Å; L113-M124 HydrophobicContact CD2-SD 4Å; L113-L126 HydrophobicContact CD1-CB 4.12Å; L113-L126 HydrophobicContact CD1-CD1 4.06Å; L113-L126 HydrophobicContact CD1-CD2 3.82Å; L113-L126 HydrophobicContact CD1-CG 4.21Å; L113-L126 HydrophobicContact CD2-CB 3.89Å; L113-F155 HydrophobicContact CB-CD1 3.78Å; L113-F155 HydrophobicContact CB-CD2 4.08Å; L113-F155 HydrophobicContact CB-CE1 3.61Å; L113-F155 HydrophobicContact CB-CE2 3.94Å; L113-F155 HydrophobicContact CB-CG 4.02Å; L113-F155 HydrophobicContact CB-CZ 3.7Å; L113-F155 HydrophobicContact CD1-CE1 4.38Å; L113-F155 HydrophobicContact CD1-CE2 3.99Å; L113-F155 HydrophobicContact CD1-CZ 3.73Å; L113-F155 HydrophobicContact CD2-CD2 4.1Å; L113-F155 HydrophobicContact CD2-CE2 3.92Å; L113-F155 HydrophobicContact CD2-CZ 4.42Å; L113-F155 HydrophobicContact CG-CE2 4.17Å; L113-F155 HydrophobicContact CG-CZ 4.16Å; L113-F155 WeakPolarHBondContact O-CB 3.48Å
114	L	89.9	Confident	88.5	Confident	45 Å²	45	17.5 Å²	17.5	24%	0.236	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-47.2	176.6	-69.6	175.6	0	0	0	111.1	L79 L110 G117 V118 F155	L79-L114 HydrophobicContact CD1-CD1 3.97Å; L79-L114 HydrophobicContact CD1-CD2 3.71Å; L110-L114 HydrophobicContact CD1-CD1 4.26Å; L110-L114 HydrophobicContact CD1-CG 4.18Å; L110-L114 HydrophobicContact CD2-CD1 4.38Å; L110-L114 HydrophobicContact CG-CD1 3.87Å; L110-L114 HydrophobicContact CG-CG 4.19Å; L110-L114 WeakPolarHBondContact O-CB 3.36Å; L110-L114 VanDerWaalsContact O-CG 3.32Å; L110-L114 WeakPolarHBondContact O-CG 3.49Å; L110-L114 PolarHBondContact O-N 3.2Å; L114-G117 PolarHBondContact O-N 3.21Å; L114-G117 VanDerWaalsContact O-N 3.15Å; L114-V118 PolarHBondContact O-N 2.97Å; L114-V118 VanDerWaalsContact O-N 3.08Å; L114-F155 HydrophobicContact CD2-CD1 4.25Å; L114-F155 HydrophobicContact CD2-CE1 4.39Å
115	E	88	Confident	88.9	Confident	37 Å²	37	17 Å²	17	17%	0.173	10%	0.1	C	C	.	.	H	α-helix	trans	-63.4	-43	177.3	-176.6	55.2	-150.5	0	0	111.6	P111 G117 V118 Q119 A496 A498 A499 V502	P111-E115 VanDerWaalsContact O-CB 3.23Å; P111-E115 WeakPolarHBondContact O-CB 3.27Å; P111-E115 PolarHBondContact O-N 2.86Å; E115-G117 VanDerWaalsContact C-N 3.28Å; E115-G117 PolarHBondContact O-N 3.48Å; E115-V118 WeakPolarHBondContact O-CB 3.45Å; E115-V118 PolarHBondContact O-N 3.23Å; E115-V118 VanDerWaalsContact O-N 3.07Å; E115-Q119 PolarHBondContact O-N 3.48Å; E115-Q119 WeakPolarHBondContact OE1-CG 3.46Å; E115-Q119 PolarHBondContact OE1-NE2 3.33Å; E115-A496 HydrophobicContact CG-CB 4.4Å; E115-A496 WeakPolarHBondContact OE2-CB 3.39Å; E115-A498 HydrophobicContact CB-CB 4.23Å; E115-A499 HydrophobicContact CG-CB 4.03Å; E115-V502 HydrophobicContact CB-CG2 4.11Å; E115-V502 HydrophobicContact CG-CB 4.29Å; E115-V502 HydrophobicContact CG-CG2 3.96Å
116	G	89.6	Confident	89.4	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.9	-36.1	172.5	0	0	0	0	0	113.5	V112 V118 S120	V112-G116 PolarHBondContact O-N 3.45Å; G116-V118 VanDerWaalsContact C-N 3.32Å; G116-S120 CarbonylContact O-C 3.55Å; G116-S120 WeakPolarHBondContact O-CA 3.38Å; G116-S120 PolarHBondContact O-N 3.07Å
117	G	89.5	Confident	89.7	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.3	-30.5	173.8	0	0	0	0	0	113.5	L113 L114 E115 P121 F155 H156 P157	L113-G117 PolarHBondContact O-N 3.45Å; L114-G117 PolarHBondContact O-N 3.21Å; L114-G117 VanDerWaalsContact O-N 3.15Å; E115-G117 VanDerWaalsContact C-N 3.28Å; E115-G117 PolarHBondContact O-N 3.48Å; G117-P121 WeakPolarHBondContact O-CA 3.41Å; G117-P121 WeakPolarHBondContact O-CG 3.49Å; G117-F155 WeakPolarHBondContact CA-O 3.36Å; G117-H156 CarbonylContact O-C 3.54Å; G117-P157 WeakPolarHBondContact O-CD 3.43Å
118	V	85.4	Confident	90	Very high	54 Å²	54	14.4 Å²	14.4	33%	0.327	8%	0.081	S	C	.	.	H	α-helix	trans	-74.6	-51.9	173.7	174.3	0	0	0	0	110.8	L114 E115 G116	L114-V118 PolarHBondContact O-N 2.97Å; L114-V118 VanDerWaalsContact O-N 3.08Å; E115-V118 WeakPolarHBondContact O-CB 3.45Å; E115-V118 PolarHBondContact O-N 3.23Å; E115-V118 VanDerWaalsContact O-N 3.07Å; G116-V118 VanDerWaalsContact C-N 3.32Å
119	Q	83.7	Confident	90.2	Very high	13 Å²	13	13.3 Å²	13.3	6%	0.061	7%	0.074	C	C	.	.	H	α-helix	trans	-74.6	-31.4	-175.4	-62.1	-167.5	27.9	0	0	113.5	E115 V502 L506	E115-Q119 PolarHBondContact O-N 3.48Å; E115-Q119 WeakPolarHBondContact OE1-CG 3.46Å; E115-Q119 PolarHBondContact OE1-NE2 3.33Å; Q119-V502 HydrophobicContact CB-CG1 4.09Å; Q119-V502 HydrophobicContact CG-CG1 4.22Å; Q119-L506 HydrophobicContact CB-CD1 3.91Å
120	S	86.9	Confident	90.2	Very high	4 Å²	4	13.5 Å²	13.5	3%	0.028	8%	0.077	C	C	.	.	S	Bend	trans	-140.6	73.5	-179.5	-157.8	0	0	0	0	111.4	G116 G122 N123	G116-S120 CarbonylContact O-C 3.55Å; G116-S120 WeakPolarHBondContact O-CA 3.38Å; G116-S120 PolarHBondContact O-N 3.07Å; S120-G122 PolarHBondContact O-N 3.45Å; S120-N123 WeakPolarHBondContact O-CB 3.46Å; S120-N123 PolarHBondContact O-N 2.78Å; S120-N123 VanDerWaalsContact OG-CB 3.26Å; S120-N123 WeakPolarHBondContact OG-CB 3.49Å; S120-N123 PolarHBondContact OG-ND2 2.88Å
121	P	88.4	Confident	90.2	Very high	49 Å²	49	13.3 Å²	13.3	32%	0.318	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	123.6	-175.7	-28.1	35.5	0	0	0	113.3	G117 N123 P157	G117-P121 WeakPolarHBondContact O-CA 3.41Å; G117-P121 WeakPolarHBondContact O-CG 3.49Å; P121-N123 PolarHBondContact O-N 2.84Å; P121-P157 HydrophobicContact CB-CG 4.3Å; P121-P157 HydrophobicContact CG-CG 3.75Å
122	G	89.5	Confident	90.5	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.01	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	2.9	178.2	0	0	0	0	0	115.3	R90 S120 F155 H156	R90-G122 PolarHBondContact NH1-O 3.31Å; R90-G122 PolarHBondContact NH2-O 3.3Å; S120-G122 PolarHBondContact O-N 3.45Å; G122-F155 PolarHBondContact N-O 2.86Å; G122-H156 WeakPolarHBondContact CA-CE1 3.28Å; G122-H156 VanDerWaalsContact CA-NE2 3.33Å; G122-H156 WeakPolarHBondContact CA-NE2 3.27Å; G122-H156 PolarHBondContact N-CE1 2.86Å
123	N	91.6	Very high	90.6	Very high	25 Å²	25	13.2 Å²	13.2	13%	0.134	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-17.6	179.6	-67	-26	0	0	0	114.1	V98 L100 S120 P121 R170	V98-N123 WeakPolarHBondContact O-CB 3.4Å; V98-N123 PolarHBondContact O-OD1 2.83Å; L100-N123 PolarHBondContact N-O 3.5Å; S120-N123 WeakPolarHBondContact O-CB 3.46Å; S120-N123 PolarHBondContact O-N 2.78Å; S120-N123 VanDerWaalsContact OG-CB 3.26Å; S120-N123 WeakPolarHBondContact OG-CB 3.49Å; S120-N123 PolarHBondContact OG-ND2 2.88Å; P121-N123 PolarHBondContact O-N 2.84Å; N123-R170 PolarHBondContact OD1-NH2 3.11Å
124	M	94.8	Very high	90.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	115.3	168.9	-178.4	56.6	76.9	0	0	109.7	L100 V102 V112 L113 S154 F155 V502 M505	L100-M124 HydrophobicContact CB-CE 3.97Å; L100-M124 HydrophobicContact CB-SD 3.95Å; L100-M124 HydrophobicContact CD1-CE 3.52Å; L100-M124 HydrophobicContact CG-CE 4.42Å; V102-M124 HydrophobicContact CG2-SD 3.87Å; V112-M124 HydrophobicContact CG1-CE 4.44Å; L113-M124 HydrophobicContact CD2-CG 3.88Å; L113-M124 HydrophobicContact CD2-SD 4Å; M124-S154 WeakPolarHBondContact O-CA 3.42Å; M124-F155 HydrophobicContact CB-CB 4.3Å; M124-F155 HydrophobicContact CG-CB 4.4Å; M124-F155 PolarHBondContact O-N 3.36Å; M124-V502 HydrophobicContact CE-CG2 4.4Å; M124-M505 HydrophobicContact CE-CE 3.77Å; M124-M505 HydrophobicContact CE-SD 4.15Å; M124-M505 HydrophobicContact SD-CE 4.36Å
125	L	96.1	Very high	90.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.9	-171	-56.2	-173.1	0	0	0	110.9	T99 L100 V102 V149 A152 V153 F166	T99-L125 HydrophobicContact CG2-CD1 3.69Å; L100-L125 WeakPolarHBondContact O-CB 3.4Å; L100-L125 PolarHBondContact O-N 3.04Å; V102-L125 PolarHBondContact N-O 2.87Å; L125-V149 HydrophobicContact CD1-CB 4.45Å; L125-V149 HydrophobicContact CD1-CG1 4.05Å; L125-V149 HydrophobicContact CD1-CG2 4.41Å; L125-A152 HydrophobicContact CB-CB 3.8Å; L125-A152 HydrophobicContact CD1-CB 4.35Å; L125-A152 HydrophobicContact CD2-CB 4.39Å; L125-A152 HydrophobicContact CG-CB 4.41Å; L125-V153 WeakPolarHBondContact CA-O 3.49Å; L125-F166 HydrophobicContact CD1-CE2 4.12Å; L125-F166 HydrophobicContact CD1-CZ 3.89Å; L125-F166 HydrophobicContact CD2-CZ 3.92Å
126	L	96.8	Very high	91	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.9	168.6	177	62.4	0	0	0	110	L70 V102 P106 L113 L128 A152 V153 F155	L70-L126 HydrophobicContact CD1-CD2 4.48Å; L70-L126 HydrophobicContact CD2-CD2 4.3Å; V102-L126 HydrophobicContact CG1-CD1 4.47Å; P106-L126 HydrophobicContact CB-CD2 4.13Å; P106-L126 HydrophobicContact CG-CD2 4.13Å; L113-L126 HydrophobicContact CD1-CB 4.12Å; L113-L126 HydrophobicContact CD1-CD1 4.06Å; L113-L126 HydrophobicContact CD1-CD2 3.82Å; L113-L126 HydrophobicContact CD1-CG 4.21Å; L113-L126 HydrophobicContact CD2-CB 3.89Å; L126-L128 HydrophobicContact CD1-CD2 4.47Å; L126-L128 HydrophobicContact CD2-CD2 3.57Å; L126-L128 HydrophobicContact CG-CD2 3.77Å; L126-A152 WeakPolarHBondContact O-CA 3Å; L126-V153 HydrophobicContact CB-CB 4.4Å; L126-V153 PolarHBondContact N-O 3.37Å; L126-V153 PolarHBondContact O-N 3.5Å; L126-F155 HydrophobicContact CB-CE2 3.74Å; L126-F155 HydrophobicContact CD2-CE2 4.37Å; L126-F155 HydrophobicContact CD2-CZ 4.42Å
127	C	94.6	Very high	91.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.9	168.1	-65.4	0	0	0	0	109.1	C101 V102 L103 S129 L133	C101-C127 VanDerWaalsContact SG-SG 3.62Å; V102-C127 PolarHBondContact O-N 3.21Å; L103-C127 HydrophobicContact CD1-CB 4.13Å; L103-C127 WeakPolarHBondContact CD1-O 3.26Å; C127-S129 VanDerWaalsContact C-N 3.29Å; C127-L133 HydrophobicContact CB-CD1 4.36Å; C127-L133 HydrophobicContact CB-CG 4.39Å
128	L	91	Very high	90.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	15%	0.146	C	C	.	.	S	Bend	trans	-83.1	-11.8	178.8	-58	-179.1	0	0	0	112.5	T63 Y67 P106 L126 W132 V153 R185	T63-L128 HydrophobicContact CG2-CB 4.26Å; Y67-L128 HydrophobicContact CD2-CD1 3.88Å; Y67-L128 HydrophobicContact CG-CD1 4.34Å; P106-L128 HydrophobicContact CG-CD2 4.05Å; L126-L128 HydrophobicContact CD1-CD2 4.47Å; L126-L128 HydrophobicContact CD2-CD2 3.57Å; L126-L128 HydrophobicContact CG-CD2 3.77Å; L128-W132 HydrophobicContact CB-CE3 4.46Å; L128-W132 HydrophobicContact CB-CH2 3.81Å; L128-W132 HydrophobicContact CB-CZ2 4.31Å; L128-W132 HydrophobicContact CB-CZ3 3.88Å; L128-W132 HydrophobicContact CD1-CH2 3.77Å; L128-W132 HydrophobicContact CD1-CZ3 4.24Å; L128-W132 HydrophobicContact CG-CH2 3.85Å; L128-W132 HydrophobicContact CG-CZ3 3.85Å; L128-V153 HydrophobicContact CD1-CG2 4.46Å; L128-R185 VanDerWaalsContact O-CZ 3.29Å; L128-R185 PolarHBondContact O-NH1 2.8Å; L128-R185 PolarHBondContact O-NH2 3.36Å
129	S	89.3	Confident	90.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.014	17%	0.171	C	C	.	.			trans	-145.6	140.3	-176.1	-177.3	0	0	0	0	112.4	E55 T63 C127 A131 W132	E55-S129 WeakPolarHBondContact OE1-CB 3.32Å; E55-S129 PolarHBondContact OE1-OG 3.45Å; T63-S129 WeakPolarHBondContact OG1-CB 3.26Å; C127-S129 VanDerWaalsContact C-N 3.29Å; S129-A131 PolarHBondContact O-N 2.93Å; S129-A131 PolarHBondContact OG-N 2.73Å; S129-W132 WeakPolarHBondContact O-CB 3.22Å; S129-W132 PolarHBondContact O-N 3.45Å
130	P	89.1	Confident	90	Very high	15 Å²	15	31.9 Å²	31.9	10%	0.097	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-55.9	-31.4	168.5	-26.6	36.7	0	0	0	113.7	L103 W132 L133 R185 E188 L192	L103-P130 HydrophobicContact CD1-CG 4.46Å; L103-P130 HydrophobicContact CD2-CG 4.36Å; P130-W132 PolarHBondContact O-N 2.98Å; P130-L133 WeakPolarHBondContact O-CB 3.07Å; P130-L133 PolarHBondContact O-N 3.28Å; P130-R185 HydrophobicContact CG-CG 4.38Å; P130-E188 HydrophobicContact CB-CB 4.43Å; P130-E188 HydrophobicContact CG-CB 4.22Å; P130-L192 HydrophobicContact CB-CD1 3.82Å
131	A	89.4	Confident	89.7	Confident	21 Å²	21	34.6 Å²	34.6	17%	0.174	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-70.9	-12.5	-178.5	0	0	0	0	0	113.8	S53 E55 S129 L133	S53-A131 WeakPolarHBondContact CB-O 3.46Å; S53-A131 PolarHBondContact OG-O 3.25Å; E55-A131 HydrophobicContact CG-CB 3.39Å; E55-A131 WeakPolarHBondContact OE1-CB 3.41Å; S129-A131 PolarHBondContact O-N 2.93Å; S129-A131 PolarHBondContact OG-N 2.73Å; A131-L133 PolarHBondContact O-N 3.01Å
132	W	92.8	Very high	89.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-79.8	-3.3	171.7	-63.3	6.1	0	0	0	112.7	L48 E55 T63 L128 S129 P130 L150 K151 L163	L48-W132 HydrophobicContact CD2-CZ2 4.47Å; L48-W132 PolarHBondContact O-NE1 3.48Å; E55-W132 PolarHBondContact OE1-NE1 2.95Å; T63-W132 HydrophobicContact CG2-CZ2 3.79Å; L128-W132 HydrophobicContact CB-CE3 4.46Å; L128-W132 HydrophobicContact CB-CH2 3.81Å; L128-W132 HydrophobicContact CB-CZ2 4.31Å; L128-W132 HydrophobicContact CB-CZ3 3.88Å; L128-W132 HydrophobicContact CD1-CH2 3.77Å; L128-W132 HydrophobicContact CD1-CZ3 4.24Å; L128-W132 HydrophobicContact CG-CH2 3.85Å; L128-W132 HydrophobicContact CG-CZ3 3.85Å; S129-W132 WeakPolarHBondContact O-CB 3.22Å; S129-W132 PolarHBondContact O-N 3.45Å; P130-W132 PolarHBondContact O-N 2.98Å; W132-L150 WeakPolarHBondContact O-CB 3.15Å; W132-L150 PolarHBondContact O-N 3.14Å; W132-K151 HydrophobicContact CB-CB 4.17Å; W132-K151 WeakPolarHBondContact CB-O 3.5Å; W132-K151 HydrophobicContact CD2-CB 3.95Å; W132-K151 HydrophobicContact CD2-CD 4.17Å; W132-K151 HydrophobicContact CD2-CG 4.05Å; W132-K151 HydrophobicContact CE3-CB 4.2Å; W132-K151 HydrophobicContact CE3-CG 4.15Å; W132-K151 VanDerWaalsContact CE3-O 3.3Å; W132-K151 HydrophobicContact CG-CB 3.94Å; W132-K151 HydrophobicContact CH2-CD 4.48Å; W132-K151 HydrophobicContact CH2-CG 4.49Å; W132-K151 HydrophobicContact CZ2-CD 4Å; W132-K151 HydrophobicContact CZ2-CG 4.43Å; W132-K151 HydrophobicContact CZ3-CG 4.37Å; W132-L163 HydrophobicContact CH2-CD1 3.84Å; W132-L163 HydrophobicContact CZ3-CD1 4.24Å
133	L	93.7	Very high	89	Confident	10 Å²	10	42 Å²	42	5%	0.052	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.5	179.1	-60.7	170	0	0	0	109.9	L103 C127 P130 A131 L147 L148 V149 F175 L192	L103-L133 HydrophobicContact CD2-CD1 4.16Å; C127-L133 HydrophobicContact CB-CD1 4.36Å; C127-L133 HydrophobicContact CB-CG 4.39Å; P130-L133 WeakPolarHBondContact O-CB 3.07Å; P130-L133 PolarHBondContact O-N 3.28Å; A131-L133 PolarHBondContact O-N 3.01Å; L133-L147 HydrophobicContact CB-CD1 4.09Å; L133-L147 HydrophobicContact CD1-CD2 4.37Å; L133-L147 HydrophobicContact CD2-CD2 4.34Å; L133-L147 HydrophobicContact CD2-CG 4.37Å; L133-L148 CarbonylContact C-O 3.54Å; L133-L148 VanDerWaalsContact CA-O 3.32Å; L133-L148 WeakPolarHBondContact CA-O 3.35Å; L133-V149 HydrophobicContact CD2-CB 4.32Å; L133-V149 HydrophobicContact CD2-CG1 4.36Å; L133-V149 HydrophobicContact CD2-CG2 3.87Å; L133-F175 HydrophobicContact CD1-CE2 3.93Å; L133-F175 HydrophobicContact CD1-CZ 4.32Å; L133-L192 HydrophobicContact CB-CD1 4.39Å; L133-L192 HydrophobicContact CD1-CD1 3.98Å
134	M	93	Very high	88.9	Confident	86 Å²	86	42.1 Å²	42.1	42%	0.424	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.1	174.9	-177.1	-174.3	-67.4	0	0	109.3	V136 L148 L150	M134-V136 HydrophobicContact CG-CG1 3.85Å; M134-V136 HydrophobicContact SD-CG1 3.9Å; M134-L148 HydrophobicContact CB-CB 4.32Å; M134-L148 PolarHBondContact N-O 3.43Å; M134-L148 PolarHBondContact O-N 2.72Å; M134-L150 HydrophobicContact CB-CD1 4.2Å; M134-L150 HydrophobicContact CE-CD1 4.32Å; M134-L150 HydrophobicContact CE-CD2 4.23Å
135	K	92.9	Very high	88.9	Confident	76 Å²	76	42.6 Å²	42.6	33%	0.33	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.4	175.4	-167.9	172.9	-173.8	-179.2	0	108.8	A145 L147 E191 L192 R194 L196	K135-A145 HydrophobicContact CD-CB 4.06Å; K135-A145 HydrophobicContact CG-CB 3.42Å; K135-A145 VanDerWaalsContact CG-CB 3.42Å; K135-L147 HydrophobicContact CB-CD1 4.41Å; K135-E191 PolarHBondContact NZ-O 3.41Å; K135-L192 HydrophobicContact CB-CD2 4.27Å; K135-R194 WeakPolarHBondContact CE-O 3.47Å; K135-R194 PolarHBondContact NZ-O 2.84Å; K135-L196 HydrophobicContact CD-CD2 4.4Å; K135-L196 HydrophobicContact CG-CD2 4.42Å
136	V	93.2	Very high	88.7	Confident	41 Å²	41	43 Å²	43	25%	0.248	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	139.9	-178.2	-60	0	0	0	0	110.5	M134 A138 A145 A146 L148	M134-V136 HydrophobicContact CG-CG1 3.85Å; M134-V136 HydrophobicContact SD-CG1 3.9Å; V136-A138 PolarHBondContact O-N 3.33Å; V136-A145 CarbonylContact O-C 3.49Å; V136-A145 VanDerWaalsContact O-CA 3.22Å; V136-A145 WeakPolarHBondContact O-CA 3.46Å; V136-A145 WeakPolarHBondContact O-CB 3.47Å; V136-A146 HydrophobicContact CG2-CB 3.92Å; V136-A146 PolarHBondContact N-O 3.06Å; V136-A146 PolarHBondContact O-N 2.87Å; V136-L148 HydrophobicContact CG1-CD1 3.86Å; V136-L148 HydrophobicContact CG1-CG 4.42Å; V136-L148 HydrophobicContact CG2-CD1 3.92Å; V136-L148 HydrophobicContact CG2-CD2 4.47Å; V136-L148 HydrophobicContact CG2-CG 3.98Å
137	P	92.1	Very high	88.6	Confident	116 Å²	116	43 Å²	43	75%	0.753	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	135.9	176.9	-25.4	34.4	0	0	0	112
138	A	85.6	Confident	88.6	Confident	11 Å²	11	44.6 Å²	44.6	9%	0.091	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-80.3	127.8	179.6	0	0	0	0	0	111.4	V136 G140 Q141 E144 T197	V136-A138 PolarHBondContact O-N 3.33Å; A138-G140 PolarHBondContact O-N 3.03Å; A138-Q141 HydrophobicContact CB-CB 4.14Å; A138-Q141 PolarHBondContact O-N 3.35Å; A138-E144 HydrophobicContact CB-CB 4.47Å; A138-E144 WeakPolarHBondContact CB-O 3.4Å; A138-E144 PolarHBondContact N-O 3.06Å; A138-T197 HydrophobicContact CB-CG2 3.31Å
139	P	75.5	Confident	88.7	Confident	130 Å²	130	44.5 Å²	44.5	84%	0.844	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	127.2	175.7	-19	30.3	0	0	0	111	Q141	P139-Q141 VanDerWaalsContact C-N 3.29Å; P139-Q141 PolarHBondContact O-N 3.36Å
140	G	74.4	Confident	89	Confident	82 Å²	82	45.5 Å²	45.5	85%	0.845	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	2.8	175.6	0	0	0	0	0	116	A138	A138-G140 PolarHBondContact O-N 3.03Å
141	Q	79.1	Confident	89.2	Confident	61 Å²	61	44.9 Å²	44.9	29%	0.285	30%	0.296	S	S	.	.			trans	-126.9	86.7	176.9	-69	177.4	-20.9	0	0	109.7	A138 P139 G143 E144	A138-Q141 HydrophobicContact CB-CB 4.14Å; A138-Q141 PolarHBondContact O-N 3.35Å; P139-Q141 VanDerWaalsContact C-N 3.29Å; P139-Q141 PolarHBondContact O-N 3.36Å; Q141-G143 PolarHBondContact O-N 2.59Å; Q141-E144 HydrophobicContact CB-CB 4.11Å; Q141-E144 PolarHBondContact O-N 3.09Å; Q141-E144 PolarHBondContact OE1-OE2 2.64Å
142	P	80.1	Confident	89.5	Confident	135 Å²	135	43.9 Å²	43.9	88%	0.877	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	130.6	-178.2	-10.7	21.8	0	0	0	110.7	E144	P142-E144 VanDerWaalsContact C-N 3.31Å; P142-E144 PolarHBondContact O-N 3.24Å
143	G	83.5	Confident	89.7	Confident	69 Å²	69	43.9 Å²	43.9	71%	0.711	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-15.2	-179.4	0	0	0	0	0	114.9	Q141 D195	Q141-G143 PolarHBondContact O-N 2.59Å; G143-D195 WeakPolarHBondContact O-CB 3.36Å
144	E	90.4	Very high	89.8	Confident	29 Å²	29	43.4 Å²	43.4	14%	0.136	29%	0.285	C	S	.	.			trans	-97.5	154.2	174.8	-61.9	-170.3	-178.5	0	0	112.2	A138 Q141 P142 D195 T197 R441	A138-E144 HydrophobicContact CB-CB 4.47Å; A138-E144 WeakPolarHBondContact CB-O 3.4Å; A138-E144 PolarHBondContact N-O 3.06Å; Q141-E144 HydrophobicContact CB-CB 4.11Å; Q141-E144 PolarHBondContact O-N 3.09Å; Q141-E144 PolarHBondContact OE1-OE2 2.64Å; P142-E144 VanDerWaalsContact C-N 3.31Å; P142-E144 PolarHBondContact O-N 3.24Å; E144-D195 CarbonylContact C-O 3.5Å; E144-D195 VanDerWaalsContact CA-O 3.29Å; E144-D195 WeakPolarHBondContact CA-O 3.33Å; E144-T197 HydrophobicContact CB-CG2 3.71Å; E144-R441 VanDerWaalsContact CD-NH2 3.28Å; E144-R441 IonicContact OE1-CZ 2.64Å; E144-R441 IonicContact OE1-NE 3.59Å; E144-R441 PolarHBondContact OE1-NE 2.99Å; E144-R441 IonicContact OE1-NH2 3.24Å; E144-R441 PolarHBondContact OE1-NH2 3.46Å; E144-R441 IonicContact OE2-CZ 3.11Å; E144-R441 IonicContact OE2-NE 3.94Å; E144-R441 IonicContact OE2-NH2 3.91Å; E144-R441 PolarHBondContact OE2-NH2 2.71Å
145	A	93.4	Very high	89.8	Confident	10 Å²	10	39.3 Å²	39.3	8%	0.083	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	145.7	178.4	0	0	0	0	0	112.8	K135 V136 D195 L196 T197	K135-A145 HydrophobicContact CD-CB 4.06Å; K135-A145 HydrophobicContact CG-CB 3.42Å; K135-A145 VanDerWaalsContact CG-CB 3.42Å; V136-A145 CarbonylContact O-C 3.49Å; V136-A145 VanDerWaalsContact O-CA 3.22Å; V136-A145 WeakPolarHBondContact O-CA 3.46Å; V136-A145 WeakPolarHBondContact O-CB 3.47Å; A145-D195 PolarHBondContact N-O 3.42Å; A145-L196 WeakPolarHBondContact O-CA 3.48Å; A145-T197 PolarHBondContact O-N 2.81Å; A145-T197 PolarHBondContact O-OG1 2.79Å
146	A	93.1	Very high	89.8	Confident	7 Å²	7	37.5 Å²	37.5	6%	0.058	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	140.5	164.9	0	0	0	0	0	109.7	V136	V136-A146 HydrophobicContact CG2-CB 3.92Å; V136-A146 PolarHBondContact N-O 3.06Å; V136-A146 PolarHBondContact O-N 2.87Å
147	L	94.3	Very high	89.5	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.2	173.8	-168.6	70.8	0	0	0	108.9	L133 K135 A172 F175 L192 L196	L133-L147 HydrophobicContact CB-CD1 4.09Å; L133-L147 HydrophobicContact CD1-CD2 4.37Å; L133-L147 HydrophobicContact CD2-CD2 4.34Å; L133-L147 HydrophobicContact CD2-CG 4.37Å; K135-L147 HydrophobicContact CB-CD1 4.41Å; L147-A172 HydrophobicContact CB-CB 4.18Å; L147-A172 HydrophobicContact CD2-CB 4.33Å; L147-A172 PolarHBondContact O-N 2.9Å; L147-F175 HydrophobicContact CD2-CB 4.25Å; L147-F175 HydrophobicContact CD2-CD1 4.24Å; L147-F175 HydrophobicContact CD2-CD2 3.44Å; L147-F175 VanDerWaalsContact CD2-CD2 3.44Å; L147-F175 HydrophobicContact CD2-CE1 4.45Å; L147-F175 HydrophobicContact CD2-CE2 3.71Å; L147-F175 HydrophobicContact CD2-CG 3.73Å; L147-F175 HydrophobicContact CD2-CZ 4.21Å; L147-L192 HydrophobicContact CD1-CD2 4.1Å; L147-L196 HydrophobicContact CB-CD1 4.36Å; L147-L196 HydrophobicContact CB-CD2 4.06Å; L147-L196 HydrophobicContact CD2-CD1 4.16Å
148	L	94.3	Very high	89.1	Confident	34 Å²	34	35.8 Å²	35.8	18%	0.178	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.8	177.6	-53.8	-178.2	0	0	0	109.8	L133 M134 V136 P169 R170 R171	L133-L148 CarbonylContact C-O 3.54Å; L133-L148 VanDerWaalsContact CA-O 3.32Å; L133-L148 WeakPolarHBondContact CA-O 3.35Å; M134-L148 HydrophobicContact CB-CB 4.32Å; M134-L148 PolarHBondContact N-O 3.43Å; M134-L148 PolarHBondContact O-N 2.72Å; V136-L148 HydrophobicContact CG1-CD1 3.86Å; V136-L148 HydrophobicContact CG1-CG 4.42Å; V136-L148 HydrophobicContact CG2-CD1 3.92Å; V136-L148 HydrophobicContact CG2-CD2 4.47Å; V136-L148 HydrophobicContact CG2-CG 3.98Å; L148-P169 HydrophobicContact CB-CB 4Å; L148-P169 HydrophobicContact CD1-CB 4.4Å; L148-R170 CarbonylContact C-O 3.59Å; L148-R170 WeakPolarHBondContact CA-O 3.47Å; L148-R171 HydrophobicContact CD2-CB 4.01Å; L148-R171 HydrophobicContact CD2-CG 4.3Å
149	V	94.4	Very high	89.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.6	177.5	-172.1	0	0	0	0	108.6	T99 C101 L125 L133 A152 F166 P169 R170 A172	T99-V149 HydrophobicContact CG2-CG2 4.36Å; C101-V149 HydrophobicContact CB-CG2 4.25Å; L125-V149 HydrophobicContact CD1-CB 4.45Å; L125-V149 HydrophobicContact CD1-CG1 4.05Å; L125-V149 HydrophobicContact CD1-CG2 4.41Å; L133-V149 HydrophobicContact CD2-CB 4.32Å; L133-V149 HydrophobicContact CD2-CG1 4.36Å; L133-V149 HydrophobicContact CD2-CG2 3.87Å; V149-A152 HydrophobicContact CG1-CB 3.97Å; V149-F166 HydrophobicContact CG1-CD2 4.07Å; V149-F166 HydrophobicContact CG1-CE2 4Å; V149-P169 WeakPolarHBondContact O-CA 3.32Å; V149-R170 HydrophobicContact CB-CB 4.44Å; V149-R170 PolarHBondContact N-O 3.46Å; V149-R170 PolarHBondContact O-N 3.1Å; V149-A172 HydrophobicContact CG2-CB 4.35Å
150	L	93.9	Very high	90	Very high	23 Å²	23	32.6 Å²	32.6	12%	0.12	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-39.2	179.6	-60.1	160.3	0	0	0	111.2	C50 W132 M134 F166 P169	C50-L150 VanDerWaalsContact SG-CB 3.56Å; W132-L150 WeakPolarHBondContact O-CB 3.15Å; W132-L150 PolarHBondContact O-N 3.14Å; M134-L150 HydrophobicContact CB-CD1 4.2Å; M134-L150 HydrophobicContact CE-CD1 4.32Å; M134-L150 HydrophobicContact CE-CD2 4.23Å; L150-F166 PolarHBondContact O-N 3Å; L150-P169 HydrophobicContact CD2-CB 3.94Å; L150-P169 HydrophobicContact CD2-CG 3.62Å
151	K	93.9	Very high	91	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.2	-176.3	-171	174.6	-155.3	118.3	0	109.4	V47 D49 W132 L163 D164 D165	V47-K151 WeakPolarHBondContact O-CE 3.46Å; V47-K151 PolarHBondContact O-NZ 3.17Å; V47-K151 VanDerWaalsContact O-NZ 3.1Å; D49-K151 PolarHBondContact O-NZ 3.01Å; W132-K151 HydrophobicContact CB-CB 4.17Å; W132-K151 WeakPolarHBondContact CB-O 3.5Å; W132-K151 HydrophobicContact CD2-CB 3.95Å; W132-K151 HydrophobicContact CD2-CD 4.17Å; W132-K151 HydrophobicContact CD2-CG 4.05Å; W132-K151 HydrophobicContact CE3-CB 4.2Å; W132-K151 HydrophobicContact CE3-CG 4.15Å; W132-K151 VanDerWaalsContact CE3-O 3.3Å; W132-K151 HydrophobicContact CG-CB 3.94Å; W132-K151 HydrophobicContact CH2-CD 4.48Å; W132-K151 HydrophobicContact CH2-CG 4.49Å; W132-K151 HydrophobicContact CZ2-CD 4Å; W132-K151 HydrophobicContact CZ2-CG 4.43Å; W132-K151 HydrophobicContact CZ3-CG 4.37Å; K151-L163 HydrophobicContact CG-CD1 4.28Å; K151-D164 WeakPolarHBondContact CA-O 3.35Å; K151-D165 VanDerWaalsContact CD-OD1 3.32Å; K151-D165 WeakPolarHBondContact CD-OD1 3.22Å; K151-D165 WeakPolarHBondContact CE-OD1 3.26Å; K151-D165 VanDerWaalsContact CG-OD1 3.27Å; K151-D165 WeakPolarHBondContact CG-OD1 3.34Å; K151-D165 IonicContact NZ-OD1 2.77Å; K151-D165 PolarHBondContact NZ-OD1 3.26Å; K151-D165 IonicContact NZ-OD2 3.99Å
152	A	95.8	Very high	91.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	165.6	173.7	0	0	0	0	0	111.5	L125 L126 V149 D164 F166	L125-A152 HydrophobicContact CB-CB 3.8Å; L125-A152 HydrophobicContact CD1-CB 4.35Å; L125-A152 HydrophobicContact CD2-CB 4.39Å; L125-A152 HydrophobicContact CG-CB 4.41Å; L126-A152 WeakPolarHBondContact O-CA 3Å; V149-A152 HydrophobicContact CG1-CB 3.97Å; A152-D164 PolarHBondContact N-O 2.86Å; A152-D164 PolarHBondContact O-N 2.64Å; A152-F166 HydrophobicContact CB-CE2 3.96Å
153	V	96.7	Very high	92.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	118.6	162.4	-176.9	0	0	0	0	108.7	L70 T82 L125 L126 L128 F155 T161 F162 L163	L70-V153 HydrophobicContact CD2-CB 4.41Å; L70-V153 HydrophobicContact CD2-CG1 4.05Å; L70-V153 HydrophobicContact CD2-CG2 4.14Å; T82-V153 HydrophobicContact CG2-CG1 3.98Å; L125-V153 WeakPolarHBondContact CA-O 3.49Å; L126-V153 HydrophobicContact CB-CB 4.4Å; L126-V153 PolarHBondContact N-O 3.37Å; L126-V153 PolarHBondContact O-N 3.5Å; L128-V153 HydrophobicContact CD1-CG2 4.46Å; V153-F155 HydrophobicContact CB-CE2 4.41Å; V153-F155 HydrophobicContact CG1-CE2 4.05Å; V153-T161 HydrophobicContact CG1-CG2 4.36Å; V153-F162 CarbonylContact C-O 3.55Å; V153-F162 VanDerWaalsContact CA-O 3.27Å; V153-F162 WeakPolarHBondContact CA-O 3.32Å; V153-L163 HydrophobicContact CG2-CD1 4.03Å
154	S	95.4	Very high	93	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	142	176.7	65.2	0	0	0	0	111.6	M124 T161 F162 D164	M124-S154 WeakPolarHBondContact O-CA 3.42Å; S154-T161 VanDerWaalsContact O-CA 3.27Å; S154-T161 WeakPolarHBondContact O-CA 3.38Å; S154-F162 PolarHBondContact N-O 3.5Å; S154-F162 PolarHBondContact O-N 3.33Å; S154-F162 PolarHBondContact OG-O 3.43Å; S154-D164 WeakPolarHBondContact CB-OD2 3.07Å; S154-D164 PolarHBondContact OG-OD2 3.22Å
155	F	94.5	Very high	93.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	142.7	-177.6	-75.3	-105.5	0	0	0	112.1	L70 L110 L113 L114 G117 G122 M124 L126 V153 T161	L70-F155 HydrophobicContact CD1-CZ 4.06Å; L110-F155 HydrophobicContact CD1-CE1 4.48Å; L113-F155 HydrophobicContact CB-CD1 3.78Å; L113-F155 HydrophobicContact CB-CD2 4.08Å; L113-F155 HydrophobicContact CB-CE1 3.61Å; L113-F155 HydrophobicContact CB-CE2 3.94Å; L113-F155 HydrophobicContact CB-CG 4.02Å; L113-F155 HydrophobicContact CB-CZ 3.7Å; L113-F155 HydrophobicContact CD1-CE1 4.38Å; L113-F155 HydrophobicContact CD1-CE2 3.99Å; L113-F155 HydrophobicContact CD1-CZ 3.73Å; L113-F155 HydrophobicContact CD2-CD2 4.1Å; L113-F155 HydrophobicContact CD2-CE2 3.92Å; L113-F155 HydrophobicContact CD2-CZ 4.42Å; L113-F155 HydrophobicContact CG-CE2 4.17Å; L113-F155 HydrophobicContact CG-CZ 4.16Å; L113-F155 WeakPolarHBondContact O-CB 3.48Å; L114-F155 HydrophobicContact CD2-CD1 4.25Å; L114-F155 HydrophobicContact CD2-CE1 4.39Å; G117-F155 WeakPolarHBondContact CA-O 3.36Å; G122-F155 PolarHBondContact N-O 2.86Å; M124-F155 HydrophobicContact CB-CB 4.3Å; M124-F155 HydrophobicContact CG-CB 4.4Å; M124-F155 PolarHBondContact O-N 3.36Å; L126-F155 HydrophobicContact CB-CE2 3.74Å; L126-F155 HydrophobicContact CD2-CE2 4.37Å; L126-F155 HydrophobicContact CD2-CZ 4.42Å; V153-F155 HydrophobicContact CB-CE2 4.41Å; V153-F155 HydrophobicContact CG1-CE2 4.05Å; F155-T161 HydrophobicContact CD1-CG2 3.6Å; F155-T161 HydrophobicContact CD2-CG2 4.47Å; F155-T161 HydrophobicContact CE1-CG2 3.51Å; F155-T161 HydrophobicContact CE2-CG2 4.37Å; F155-T161 HydrophobicContact CG-CG2 4.1Å; F155-T161 HydrophobicContact CZ-CG2 3.92Å
156	H	92.2	Very high	92.9	Very high	38 Å²	38	16.7 Å²	16.7	18%	0.176	11%	0.105	C	C	.	.			trans	-138	166	-177.3	-71	-101.3	0	0	0	111.5	G117 G122 G159 L160 F162	G117-H156 CarbonylContact O-C 3.54Å; G122-H156 WeakPolarHBondContact CA-CE1 3.28Å; G122-H156 VanDerWaalsContact CA-NE2 3.33Å; G122-H156 WeakPolarHBondContact CA-NE2 3.27Å; G122-H156 PolarHBondContact N-CE1 2.86Å; H156-G159 PolarHBondContact O-N 2.9Å; H156-L160 HydrophobicContact CB-CB 3.93Å; H156-L160 WeakPolarHBondContact CB-O 3.32Å; H156-L160 PolarHBondContact N-O 3.3Å; H156-F162 AromaticContact CD2-CD2 3.42Å; H156-F162 VanDerWaalsContact CD2-CD2 3.42Å; H156-F162 WeakPolarHBondContact CD2-CD2 3.39Å; H156-F162 AromaticContact CD2-CE2 3.49Å; H156-F162 VanDerWaalsContact CD2-CE2 3.49Å; H156-F162 WeakPolarHBondContact CD2-CE2 3.39Å; H156-F162 AromaticContact CG-CE2 3.99Å; H156-F162 AromaticContact NE2-CD2 3.62Å; H156-F162 AromaticContact NE2-CE2 3.82Å
157	P	87.8	Confident	92.8	Very high	62 Å²	62	20.4 Å²	20.4	40%	0.403	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-57.8	144.8	178.8	-23.6	33.8	0	0	0	111.9	G117 P121 G159	G117-P157 WeakPolarHBondContact O-CD 3.43Å; P121-P157 HydrophobicContact CB-CG 4.3Å; P121-P157 HydrophobicContact CG-CG 3.75Å; P157-G159 VanDerWaalsContact C-N 3.34Å
158	G	83.4	Confident	92.6	Very high	60 Å²	60	23.4 Å²	23.4	62%	0.619	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	77	17.3	-178.4	0	0	0	0	0	114.5	L160	G158-L160 PolarHBondContact O-N 2.8Å
159	G	85.6	Confident	92.4	Very high	6 Å²	6	23.8 Å²	23.8	6%	0.062	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	73.6	14.2	178.4	0	0	0	0	0	114.4	H156 P157 T161	H156-G159 PolarHBondContact O-N 2.9Å; P157-G159 VanDerWaalsContact C-N 3.34Å; G159-T161 PolarHBondContact O-N 3.21Å
160	L	93.6	Very high	92.3	Very high	68 Å²	68	24.5 Å²	24.5	36%	0.356	15%	0.154	S	C	.	.			trans	-65.8	125.6	173.3	-69.6	171.1	0	0	0	109.5	P80 H156 G158 F162	P80-L160 HydrophobicContact CG-CD2 3.86Å; H156-L160 HydrophobicContact CB-CB 3.93Å; H156-L160 WeakPolarHBondContact CB-O 3.32Å; H156-L160 PolarHBondContact N-O 3.3Å; G158-L160 PolarHBondContact O-N 2.8Å; L160-F162 HydrophobicContact CB-CE2 4.23Å; L160-F162 HydrophobicContact CB-CZ 4.46Å
161	T	96.1	Very high	92.3	Very high	1 Å²	1	28 Å²	28	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.8	179.1	56	0	0	0	0	111.4	L74 T82 Q83 V153 S154 F155 G159	L74-T161 HydrophobicContact CD1-CG2 4.26Å; L74-T161 HydrophobicContact CD2-CG2 4.37Å; T82-T161 VanDerWaalsContact CA-OG1 3.23Å; T82-T161 WeakPolarHBondContact CA-OG1 3.42Å; T82-T161 WeakPolarHBondContact CB-OG1 3.44Å; T82-T161 PolarHBondContact OG1-OG1 3.04Å; Q83-T161 PolarHBondContact N-O 2.99Å; V153-T161 HydrophobicContact CG1-CG2 4.36Å; S154-T161 VanDerWaalsContact O-CA 3.27Å; S154-T161 WeakPolarHBondContact O-CA 3.38Å; F155-T161 HydrophobicContact CD1-CG2 3.6Å; F155-T161 HydrophobicContact CD2-CG2 4.47Å; F155-T161 HydrophobicContact CE1-CG2 3.51Å; F155-T161 HydrophobicContact CE2-CG2 4.37Å; F155-T161 HydrophobicContact CG-CG2 4.1Å; F155-T161 HydrophobicContact CZ-CG2 3.92Å; G159-T161 PolarHBondContact O-N 3.21Å
162	F	95.3	Very high	92.3	Very high	26 Å²	26	28 Å²	28	11%	0.114	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.8	180	-55.2	-84.4	0	0	0	111.5	Q83 R85 V153 S154 H156 L160 D164	Q83-F162 HydrophobicContact CB-CD1 3.7Å; Q83-F162 HydrophobicContact CB-CE1 4.03Å; Q83-F162 HydrophobicContact CG-CD1 4.49Å; Q83-F162 HydrophobicContact CG-CE1 4.37Å; Q83-F162 CarbonylContact O-C 3.36Å; Q83-F162 VanDerWaalsContact O-CA 3.27Å; Q83-F162 WeakPolarHBondContact O-CA 3.41Å; R85-F162 HydrophobicContact CG-CD1 4.16Å; V153-F162 CarbonylContact C-O 3.55Å; V153-F162 VanDerWaalsContact CA-O 3.27Å; V153-F162 WeakPolarHBondContact CA-O 3.32Å; S154-F162 PolarHBondContact N-O 3.5Å; S154-F162 PolarHBondContact O-N 3.33Å; S154-F162 PolarHBondContact OG-O 3.43Å; H156-F162 AromaticContact CD2-CD2 3.42Å; H156-F162 VanDerWaalsContact CD2-CD2 3.42Å; H156-F162 WeakPolarHBondContact CD2-CD2 3.39Å; H156-F162 AromaticContact CD2-CE2 3.49Å; H156-F162 VanDerWaalsContact CD2-CE2 3.49Å; H156-F162 WeakPolarHBondContact CD2-CE2 3.39Å; H156-F162 AromaticContact CG-CE2 3.99Å; H156-F162 AromaticContact NE2-CD2 3.62Å; H156-F162 AromaticContact NE2-CE2 3.82Å; L160-F162 HydrophobicContact CB-CE2 4.23Å; L160-F162 HydrophobicContact CB-CZ 4.46Å; F162-D164 PolarHBondContact O-N 3.02Å
163	L	95.1	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	110	168.8	-179.3	66.7	0	0	0	108.8	V46 L48 T82 Q83 R85 S86 W132 K151 V153	V46-L163 HydrophobicContact CG1-CD2 3.47Å; V46-L163 VanDerWaalsContact CG1-CD2 3.47Å; L48-L163 HydrophobicContact CD2-CD2 4.11Å; T82-L163 HydrophobicContact CG2-CB 4.26Å; Q83-L163 PolarHBondContact O-N 3.2Å; R85-L163 CarbonylContact C-O 3.6Å; R85-L163 WeakPolarHBondContact CA-O 3.24Å; R85-L163 WeakPolarHBondContact CB-O 3.42Å; R85-L163 PolarHBondContact N-O 2.9Å; S86-L163 PolarHBondContact N-O 2.86Å; W132-L163 HydrophobicContact CH2-CD1 3.84Å; W132-L163 HydrophobicContact CZ3-CD1 4.24Å; K151-L163 HydrophobicContact CG-CD1 4.28Å; V153-L163 HydrophobicContact CG2-CD1 4.03Å
164	D	92.9	Very high	92.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.6	-174.7	-74.2	-52.7	0	0	0	111.4	R85 R90 K151 A152 S154 F162 F166	R85-D164 IonicContact CZ-OD1 3.01Å; R85-D164 IonicContact NE-OD1 2.62Å; R85-D164 PolarHBondContact NE-OD1 2.96Å; R85-D164 IonicContact NH2-OD1 3.81Å; R85-D164 PolarHBondContact NH2-OD1 2.74Å; R85-D164 IonicContact NH2-OD2 3.25Å; R90-D164 VanDerWaalsContact CD-OD1 3.31Å; R90-D164 WeakPolarHBondContact CD-OD1 3.41Å; R90-D164 WeakPolarHBondContact CD-OD2 3.32Å; R90-D164 HydrophobicContact CG-CB 4.35Å; R90-D164 IonicContact NH1-OD2 3.16Å; R90-D164 PolarHBondContact NH1-OD2 3.28Å; K151-D164 WeakPolarHBondContact CA-O 3.35Å; A152-D164 PolarHBondContact N-O 2.86Å; A152-D164 PolarHBondContact O-N 2.64Å; S154-D164 WeakPolarHBondContact CB-OD2 3.07Å; S154-D164 PolarHBondContact OG-OD2 3.22Å; F162-D164 PolarHBondContact O-N 3.02Å; D164-F166 HydrophobicContact CB-CE1 4.34Å; D164-F166 HydrophobicContact CB-CE2 4.21Å; D164-F166 HydrophobicContact CB-CZ 3.9Å
165	D	92.5	Very high	92.2	Very high	12 Å²	12	28.1 Å²	28.1	6%	0.064	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.1	160.2	-76.3	-13	0	0	0	108.8	P89 R90 K151	P89-D165 CarbonylContact C-O 3.21Å; P89-D165 WeakPolarHBondContact CA-O 3.32Å; P89-D165 HydrophobicContact CB-CB 4.38Å; R90-D165 PolarHBondContact N-O 2.7Å; K151-D165 VanDerWaalsContact CD-OD1 3.32Å; K151-D165 WeakPolarHBondContact CD-OD1 3.22Å; K151-D165 WeakPolarHBondContact CE-OD1 3.26Å; K151-D165 VanDerWaalsContact CG-OD1 3.27Å; K151-D165 WeakPolarHBondContact CG-OD1 3.34Å; K151-D165 IonicContact NZ-OD1 2.77Å; K151-D165 PolarHBondContact NZ-OD1 3.26Å; K151-D165 IonicContact NZ-OD2 3.99Å
166	F	90.9	Very high	92.2	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.053	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.4	-178.6	-61.9	-79.6	0	0	0	111.7	R90 L125 V149 L150 A152 D164 P168 R170	R90-F166 HydrophobicContact CB-CD1 4Å; R90-F166 HydrophobicContact CB-CE1 4.22Å; L125-F166 HydrophobicContact CD1-CE2 4.12Å; L125-F166 HydrophobicContact CD1-CZ 3.89Å; L125-F166 HydrophobicContact CD2-CZ 3.92Å; V149-F166 HydrophobicContact CG1-CD2 4.07Å; V149-F166 HydrophobicContact CG1-CE2 4Å; L150-F166 PolarHBondContact O-N 3Å; A152-F166 HydrophobicContact CB-CE2 3.96Å; D164-F166 HydrophobicContact CB-CE1 4.34Å; D164-F166 HydrophobicContact CB-CE2 4.21Å; D164-F166 HydrophobicContact CB-CZ 3.9Å; F166-P168 CarbonylContact C-O 3.54Å; F166-P168 CarbonylContact O-C 3.51Å; F166-R170 HydrophobicContact CB-CB 4.44Å; F166-R170 HydrophobicContact CD1-CB 4.23Å; F166-R170 HydrophobicContact CG-CB 4.23Å
167	V	89.4	Confident	92	Very high	86 Å²	86	26.6 Å²	26.6	52%	0.521	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	109.9	177.9	-177	0	0	0	0	109.6	P89 R90 T91	P89-V167 HydrophobicContact CB-CB 4.16Å; P89-V167 HydrophobicContact CB-CG2 3.85Å; P89-V167 HydrophobicContact CG-CG2 4.4Å; R90-V167 PolarHBondContact O-N 3.12Å; T91-V167 WeakPolarHBondContact CA-O 3.33Å
168	P	90.3	Very high	91.4	Very high	63 Å²	63	24.7 Å²	24.7	41%	0.409	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-66.9	166.1	-4.6	31.2	-36.8	0	0	0	112.9	P94 F166	P94-P168 HydrophobicContact CB-CG 4.06Å; P94-P168 HydrophobicContact CG-CB 4.27Å; P94-P168 HydrophobicContact CG-CG 3.51Å; F166-P168 CarbonylContact C-O 3.54Å; F166-P168 CarbonylContact O-C 3.51Å
169	P	91.6	Very high	90.5	Very high	42 Å²	42	23 Å²	23	27%	0.273	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	142.1	177.5	-23.7	34.7	0	0	0	111.9	L148 V149 L150	L148-P169 HydrophobicContact CB-CB 4Å; L148-P169 HydrophobicContact CD1-CB 4.4Å; V149-P169 WeakPolarHBondContact O-CA 3.32Å; L150-P169 HydrophobicContact CD2-CB 3.94Å; L150-P169 HydrophobicContact CD2-CG 3.62Å
170	R	91.3	Very high	88.9	Confident	14 Å²	14	24.3 Å²	24.3	5%	0.053	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.7	-174.8	-161.8	178.2	-169.7	-150.8	-1.7	110.9	E97 V98 T99 N123 L148 V149 F166 A172	E97-R170 VanDerWaalsContact CB-NH2 3.28Å; E97-R170 IonicContact OE2-CZ 2.83Å; E97-R170 IonicContact OE2-NE 3.21Å; E97-R170 IonicContact OE2-NH2 3.39Å; E97-R170 PolarHBondContact OE2-NH2 2.9Å; V98-R170 PolarHBondContact O-NH2 3.25Å; T99-R170 HydrophobicContact CG2-CG 3.98Å; T99-R170 WeakPolarHBondContact OG1-CD 3.42Å; T99-R170 WeakPolarHBondContact OG1-CG 3.34Å; T99-R170 PolarHBondContact OG1-NE 3.32Å; N123-R170 PolarHBondContact OD1-NH2 3.11Å; L148-R170 CarbonylContact C-O 3.59Å; L148-R170 WeakPolarHBondContact CA-O 3.47Å; V149-R170 HydrophobicContact CB-CB 4.44Å; V149-R170 PolarHBondContact N-O 3.46Å; V149-R170 PolarHBondContact O-N 3.1Å; F166-R170 HydrophobicContact CB-CB 4.44Å; F166-R170 HydrophobicContact CD1-CB 4.23Å; F166-R170 HydrophobicContact CG-CB 4.23Å; R170-A172 PolarHBondContact O-N 3.27Å
171	R	93.1	Very high	86.7	Confident	97 Å²	97	27.1 Å²	27.1	37%	0.366	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	124	176	-174.7	178.5	179.6	-174.1	0.3	110.5	T99 L148 T197	T99-R171 VanDerWaalsContact CB-O 3.27Å; T99-R171 WeakPolarHBondContact CB-O 3.35Å; T99-R171 PolarHBondContact OG1-O 3.1Å; L148-R171 HydrophobicContact CD2-CB 4.01Å; L148-R171 HydrophobicContact CD2-CG 4.3Å; R171-T197 PolarHBondContact NH2-OG1 3.21Å
172	A	94.6	Very high	84.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.008	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-68	132.3	172.1	0	0	0	0	0	110.2	C101 L147 V149 R170 C198	C101-A172 HydrophobicContact CB-CB 4.09Å; L147-A172 HydrophobicContact CB-CB 4.18Å; L147-A172 HydrophobicContact CD2-CB 4.33Å; L147-A172 PolarHBondContact O-N 2.9Å; V149-A172 HydrophobicContact CG2-CB 4.35Å; R170-A172 PolarHBondContact O-N 3.27Å; A172-C198 WeakPolarHBondContact O-CB 3.16Å
173	T	94.9	Very high	81.8	Confident	3 Å²	3	33.3 Å²	33.3	2%	0.018	21%	0.207	C	C	.	.	S	Bend	trans	-107.5	-8	176.9	55.6	0	0	0	0	111.7	T99 P199 S509 L513	T99-T173 PolarHBondContact N-OG1 3.4Å; T99-T173 PolarHBondContact O-N 3.03Å; T99-T173 PolarHBondContact O-OG1 3.4Å; T99-T173 VanDerWaalsContact O-OG1 3.13Å; T173-P199 VanDerWaalsContact O-CD 3.26Å; T173-P199 WeakPolarHBondContact O-CD 3.49Å; T173-P199 WeakPolarHBondContact O-CG 3.43Å; T173-S509 VanDerWaalsContact CB-OG 3.25Å; T173-S509 WeakPolarHBondContact CB-OG 3.32Å; T173-S509 WeakPolarHBondContact O-CA 3.41Å; T173-S509 PolarHBondContact OG1-OG 2.92Å; T173-L513 HydrophobicContact CG2-CD1 4.24Å; T173-L513 HydrophobicContact CG2-CD2 3.51Å; T173-L513 HydrophobicContact CG2-CG 3.73Å
174	Y	96.3	Very high	79.8	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	143.3	166.8	-177.3	-83.7	0	0	0	109.1	T99 L100 C101 L176 P199 G201 D446 M505 R508	T99-Y174 PolarHBondContact O-N 2.89Å; L100-Y174 HydrophobicContact CD2-CG 4.25Å; C101-Y174 PolarHBondContact N-O 3.25Å; Y174-L176 HydrophobicContact CE1-CB 4.02Å; Y174-P199 WeakPolarHBondContact CA-O 3.42Å; Y174-P199 HydrophobicContact CD2-CB 4.04Å; Y174-P199 HydrophobicContact CD2-CG 4.01Å; Y174-P199 HydrophobicContact CE2-CB 4.45Å; Y174-G201 WeakPolarHBondContact OH-CA 3.47Å; Y174-G201 PolarHBondContact OH-N 3.43Å; Y174-D446 VanDerWaalsContact CE2-OD2 3.25Å; Y174-D446 WeakPolarHBondContact CE2-OD2 3.37Å; Y174-D446 VanDerWaalsContact CZ-OD2 3.28Å; Y174-D446 PolarHBondContact OH-OD2 2.81Å; Y174-M505 HydrophobicContact CD1-CB 4.03Å; Y174-M505 HydrophobicContact CD1-CE 3.6Å; Y174-M505 HydrophobicContact CD1-CG 3.97Å; Y174-M505 HydrophobicContact CD2-CB 4.29Å; Y174-M505 HydrophobicContact CE1-CB 4.02Å; Y174-M505 HydrophobicContact CE1-CE 3.53Å; Y174-M505 HydrophobicContact CE1-CG 3.47Å; Y174-M505 VanDerWaalsContact CE1-CG 3.47Å; Y174-M505 HydrophobicContact CE1-SD 4.17Å; Y174-M505 HydrophobicContact CE2-CB 4.28Å; Y174-M505 HydrophobicContact CE2-CG 4.17Å; Y174-M505 HydrophobicContact CG-CB 4.17Å; Y174-R508 HydrophobicContact CD2-CB 4.13Å; Y174-R508 HydrophobicContact CE2-CB 4.35Å
175	F	95.9	Very high	78.2	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.8	178.6	-177.3	-116.5	0	0	0	112.6	C101 L103 L133 L147 A177 L192 A193 L196 P199 T200 G201	C101-F175 HydrophobicContact CB-CD2 3.99Å; C101-F175 CarbonylContact O-C 3.57Å; C101-F175 WeakPolarHBondContact O-CA 3.31Å; C101-F175 WeakPolarHBondContact O-CD2 3.34Å; L103-F175 HydrophobicContact CB-CE2 3.82Å; L103-F175 HydrophobicContact CB-CZ 3.91Å; L103-F175 HydrophobicContact CD2-CZ 4.02Å; L133-F175 HydrophobicContact CD1-CE2 3.93Å; L133-F175 HydrophobicContact CD1-CZ 4.32Å; L147-F175 HydrophobicContact CD2-CB 4.25Å; L147-F175 HydrophobicContact CD2-CD1 4.24Å; L147-F175 HydrophobicContact CD2-CD2 3.44Å; L147-F175 VanDerWaalsContact CD2-CD2 3.44Å; L147-F175 HydrophobicContact CD2-CE1 4.45Å; L147-F175 HydrophobicContact CD2-CE2 3.71Å; L147-F175 HydrophobicContact CD2-CG 3.73Å; L147-F175 HydrophobicContact CD2-CZ 4.21Å; F175-A177 HydrophobicContact CE1-CB 3.83Å; F175-A177 HydrophobicContact CZ-CB 4Å; F175-L192 HydrophobicContact CE1-CB 4.47Å; F175-L192 HydrophobicContact CZ-CB 4.45Å; F175-A193 HydrophobicContact CD1-CB 4.17Å; F175-A193 HydrophobicContact CE1-CB 3.85Å; F175-L196 HydrophobicContact CB-CD1 4.06Å; F175-L196 HydrophobicContact CD1-CD1 3.66Å; F175-L196 HydrophobicContact CE1-CD1 4.41Å; F175-L196 HydrophobicContact CG-CD1 4.08Å; F175-P199 PolarHBondContact N-O 3.14Å; F175-T200 HydrophobicContact CB-CG2 4.22Å; F175-T200 HydrophobicContact CD1-CG2 4.31Å; F175-T200 VanDerWaalsContact O-CA 3.23Å; F175-T200 WeakPolarHBondContact O-CA 3.33Å; F175-G201 PolarHBondContact O-N 3.27Å
176	L	93.1	Very high	76.9	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.3	172.7	-175.4	59.8	0	0	0	109.6	C101 V102 L103 F109 Y174 A202 F447	C101-L176 PolarHBondContact O-N 3.39Å; V102-L176 CarbonylContact C-O 3.53Å; V102-L176 VanDerWaalsContact CA-O 3.28Å; V102-L176 WeakPolarHBondContact CA-O 3.48Å; V102-L176 HydrophobicContact CG2-CB 4.37Å; L103-L176 PolarHBondContact N-O 3.27Å; F109-L176 HydrophobicContact CD1-CD2 4.09Å; F109-L176 HydrophobicContact CE1-CD2 3.65Å; F109-L176 HydrophobicContact CE1-CG 4.08Å; F109-L176 HydrophobicContact CZ-CD2 4.5Å; F109-L176 HydrophobicContact CZ-CG 4.47Å; Y174-L176 HydrophobicContact CE1-CB 4.02Å; L176-A202 HydrophobicContact CD1-CB 4.37Å; L176-F447 HydrophobicContact CD1-CE1 4.11Å
177	A	87.4	Confident	76	Confident	5 Å²	5	46.1 Å²	46.1	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.7	176.2	0	0	0	0	0	110.6	L103 F175 L179 A189	L103-A177 CarbonylContact O-C 3.53Å; L103-A177 WeakPolarHBondContact O-CA 3.49Å; F175-A177 HydrophobicContact CE1-CB 3.83Å; F175-A177 HydrophobicContact CZ-CB 4Å; A177-L179 HydrophobicContact CB-CD2 4.03Å; A177-L179 HydrophobicContact CB-CG 4.33Å; A177-L179 PolarHBondContact O-N 3.5Å; A177-A189 HydrophobicContact CB-CB 4.38Å
178	G	76.5	Confident	75.4	Confident	21 Å²	21	46.8 Å²	46.8	22%	0.216	27%	0.266	C	S	.	.			trans	-73.8	97.9	163	0	0	0	0	0	109	L103 G180	L103-G178 PolarHBondContact O-N 3.41Å; G178-G180 PolarHBondContact O-N 3.31Å
179	L	63.9	Low	74.9	Confident	24 Å²	24	44 Å²	44	13%	0.126	25%	0.248	C	C	.	.			trans	-79.5	31.3	-176.6	-61.6	167.6	0	0	0	112.2	A177 A190 A202 S203 A207 R295	A177-L179 HydrophobicContact CB-CD2 4.03Å; A177-L179 HydrophobicContact CB-CG 4.33Å; A177-L179 PolarHBondContact O-N 3.5Å; L179-A190 HydrophobicContact CD2-CB 4.1Å; L179-A202 HydrophobicContact CD1-CB 3.98Å; L179-S203 WeakPolarHBondContact CD1-O 3.27Å; L179-A207 HydrophobicContact CD1-CB 3.92Å; L179-R295 VanDerWaalsContact O-CZ 3.23Å; L179-R295 PolarHBondContact O-NH1 3.35Å; L179-R295 PolarHBondContact O-NH2 3.41Å
180	G	52.4	Low	74.5	Confident	35 Å²	35	42.5 Å²	42.5	36%	0.361	24%	0.239	S	C	.	.			trans	-138.7	145.2	-169.1	0	0	0	0	0	116.5	G178	G178-G180 PolarHBondContact O-N 3.31Å
181	L	46.5	Very low	74.2	Confident	127 Å²	127	46.1 Å²	46.1	67%	0.665	26%	0.257	S	S	*	.	S	Bend	trans	71.4	90.8	179.7	-64.7	169.2	0	0	0	117.3
182	G	44	Very low	73.9	Confident	38 Å²	38	42.7 Å²	42.7	39%	0.392	25%	0.246	S	C	.	.			trans	133.3	127.5	166.5	0	0	0	0	0	113	S184 G186	G182-S184 PolarHBondContact O-N 3.34Å; G182-G186 PolarHBondContact O-N 3.38Å
183	P	44.2	Very low	73.6	Confident	119 Å²	119	42.7 Å²	42.7	77%	0.773	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.4	-176.5	22.2	-30.6	0	0	0	114.7
184	S	54.4	Low	73.4	Confident	58 Å²	58	45.5 Å²	45.5	41%	0.406	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-53	179.7	51.6	0	0	0	0	113.2	G182 R187 E188	G182-S184 PolarHBondContact O-N 3.34Å; S184-R187 WeakPolarHBondContact O-CB 3.39Å; S184-R187 PolarHBondContact O-N 3.17Å; S184-E188 PolarHBondContact O-N 3.17Å
185	R	58.8	Low	73.2	Confident	32 Å²	32	48.4 Å²	48.4	12%	0.121	27%	0.271	C	S	.	.	H	α-helix	trans	-74.6	-35.7	-171.3	-143	179	-159.6	-161.6	2.2	114.5	T63 L128 P130 R187 E188 A189	T63-R185 PolarHBondContact OG1-NH2 3.11Å; L128-R185 VanDerWaalsContact O-CZ 3.29Å; L128-R185 PolarHBondContact O-NH1 2.8Å; L128-R185 PolarHBondContact O-NH2 3.36Å; P130-R185 HydrophobicContact CG-CG 4.38Å; R185-R187 PolarHBondContact O-N 2.88Å; R185-E188 PolarHBondContact O-N 3.03Å; R185-A189 PolarHBondContact O-N 3.24Å
186	G	65.9	Low	73.1	Confident	18 Å²	18	48.6 Å²	48.6	19%	0.186	27%	0.273	C	S	.	.	H	α-helix	trans	-62.9	-29.8	173.6	0	0	0	0	0	112.4	G182 A190	G182-G186 PolarHBondContact O-N 3.38Å; G186-A190 VanDerWaalsContact O-CB 3.26Å; G186-A190 WeakPolarHBondContact O-CB 3.38Å; G186-A190 PolarHBondContact O-N 3.45Å
187	R	70.9	Confident	73.1	Confident	184 Å²	184	48.7 Å²	48.7	69%	0.694	27%	0.273	S	S	*	.	H	α-helix	trans	-71.1	-44.1	174.9	-174.6	-173.3	-70.7	-137.7	-2.5	111.6	S184 R185 A190 E191	S184-R187 WeakPolarHBondContact O-CB 3.39Å; S184-R187 PolarHBondContact O-N 3.17Å; R185-R187 PolarHBondContact O-N 2.88Å; R187-A190 WeakPolarHBondContact O-CB 3.28Å; R187-A190 PolarHBondContact O-N 2.98Å; R187-E191 WeakPolarHBondContact O-CG 3.23Å; R187-E191 PolarHBondContact O-N 3.06Å
188	E	77.2	Confident	73.4	Confident	100 Å²	100	48.5 Å²	48.5	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-43.9	176.7	-69.9	176.6	-174.2	0	0	112	P130 S184 R185 A190 E191 L192	P130-E188 HydrophobicContact CB-CB 4.43Å; P130-E188 HydrophobicContact CG-CB 4.22Å; S184-E188 PolarHBondContact O-N 3.17Å; R185-E188 PolarHBondContact O-N 3.03Å; E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 PolarHBondContact O-N 2.96Å; E188-E191 PolarHBondContact O-N 3.1Å; E188-L192 WeakPolarHBondContact O-CG 3.23Å; E188-L192 PolarHBondContact O-N 2.71Å
189	A	80.9	Confident	74.3	Confident	5 Å²	5	47.8 Å²	47.8	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-39	175.6	0	0	0	0	0	112.3	L103 A177 R185 L192 A193	L103-A189 HydrophobicContact CD2-CB 3.71Å; L103-A189 HydrophobicContact CG-CB 4.49Å; A177-A189 HydrophobicContact CB-CB 4.38Å; R185-A189 PolarHBondContact O-N 3.24Å; A189-L192 PolarHBondContact O-N 2.93Å; A189-A193 WeakPolarHBondContact O-CB 3.43Å; A189-A193 PolarHBondContact O-N 3.2Å
190	A	81.4	Confident	75.7	Confident	10 Å²	10	46.8 Å²	46.8	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-46.3	173.7	0	0	0	0	0	112.7	L179 G186 R187 E188 L192 A193 R194 A204	L179-A190 HydrophobicContact CD2-CB 4.1Å; G186-A190 VanDerWaalsContact O-CB 3.26Å; G186-A190 WeakPolarHBondContact O-CB 3.38Å; G186-A190 PolarHBondContact O-N 3.45Å; R187-A190 WeakPolarHBondContact O-CB 3.28Å; R187-A190 PolarHBondContact O-N 2.98Å; E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 PolarHBondContact O-N 2.96Å; A190-L192 VanDerWaalsContact C-N 3.33Å; A190-L192 PolarHBondContact O-N 2.77Å; A190-A193 PolarHBondContact O-N 3Å; A190-R194 PolarHBondContact O-N 3.21Å; A190-A204 HydrophobicContact CB-CB 3.55Å
191	E	85.6	Confident	77.4	Confident	90 Å²	90	45.2 Å²	45.2	42%	0.421	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-35.9	178.2	-71	-59.5	142	0	0	112.4	K135 R187 E188 A193 R194	K135-E191 PolarHBondContact NZ-O 3.41Å; R187-E191 WeakPolarHBondContact O-CG 3.23Å; R187-E191 PolarHBondContact O-N 3.06Å; E188-E191 PolarHBondContact O-N 3.1Å; E191-A193 VanDerWaalsContact C-N 3.34Å; E191-R194 PolarHBondContact O-N 3.47Å; E191-R194 IonicContact OE1-CZ 3.73Å; E191-R194 IonicContact OE1-NH1 2.69Å; E191-R194 PolarHBondContact OE1-NH1 3.34Å; E191-R194 IonicContact OE1-NH2 3.76Å; E191-R194 PolarHBondContact OE1-NH2 3.26Å; E191-R194 IonicContact OE2-CZ 2.79Å; E191-R194 IonicContact OE2-NH1 2.71Å; E191-R194 PolarHBondContact OE2-NH1 2.97Å
192	L	88.1	Confident	79.2	Confident	26 Å²	26	40.2 Å²	40.2	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-64	-39.8	172.8	-75.1	174.9	0	0	0	111.9	L103 P130 L133 K135 L147 F175 E188 A189 A190 R194 L196	L103-L192 HydrophobicContact CD2-CD1 4.02Å; P130-L192 HydrophobicContact CB-CD1 3.82Å; L133-L192 HydrophobicContact CB-CD1 4.39Å; L133-L192 HydrophobicContact CD1-CD1 3.98Å; K135-L192 HydrophobicContact CB-CD2 4.27Å; L147-L192 HydrophobicContact CD1-CD2 4.1Å; F175-L192 HydrophobicContact CE1-CB 4.47Å; F175-L192 HydrophobicContact CZ-CB 4.45Å; E188-L192 WeakPolarHBondContact O-CG 3.23Å; E188-L192 PolarHBondContact O-N 2.71Å; A189-L192 PolarHBondContact O-N 2.93Å; A190-L192 VanDerWaalsContact C-N 3.33Å; A190-L192 PolarHBondContact O-N 2.77Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 3.41Å; L192-L196 WeakPolarHBondContact O-CD1 3.15Å; L192-L196 WeakPolarHBondContact O-CD2 3.33Å; L192-L196 WeakPolarHBondContact O-CG 3.26Å
193	A	88.3	Confident	81.3	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-71.1	-20	-178.1	0	0	0	0	0	114.4	F175 A189 A190 E191	F175-A193 HydrophobicContact CD1-CB 4.17Å; F175-A193 HydrophobicContact CE1-CB 3.85Å; A189-A193 WeakPolarHBondContact O-CB 3.43Å; A189-A193 PolarHBondContact O-N 3.2Å; A190-A193 PolarHBondContact O-N 3Å; E191-A193 VanDerWaalsContact C-N 3.34Å
194	R	90.6	Very high	83.3	Confident	61 Å²	61	33.3 Å²	33.3	23%	0.23	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	140.7	-174.9	-161	-175.1	-74.6	130	7.2	112.3	K135 A190 E191 L192 L196 E205 G439	K135-R194 WeakPolarHBondContact CE-O 3.47Å; K135-R194 PolarHBondContact NZ-O 2.84Å; A190-R194 PolarHBondContact O-N 3.21Å; E191-R194 PolarHBondContact O-N 3.47Å; E191-R194 IonicContact OE1-CZ 3.73Å; E191-R194 IonicContact OE1-NH1 2.69Å; E191-R194 PolarHBondContact OE1-NH1 3.34Å; E191-R194 IonicContact OE1-NH2 3.76Å; E191-R194 PolarHBondContact OE1-NH2 3.26Å; E191-R194 IonicContact OE2-CZ 2.79Å; E191-R194 IonicContact OE2-NH1 2.71Å; E191-R194 PolarHBondContact OE2-NH1 2.97Å; L192-R194 VanDerWaalsContact C-N 3.3Å; L192-R194 PolarHBondContact O-N 3.41Å; R194-L196 PolarHBondContact O-N 3.4Å; R194-L196 VanDerWaalsContact O-N 3.14Å; R194-E205 IonicContact CZ-OE1 2.64Å; R194-E205 IonicContact NE-OE1 3.72Å; R194-E205 PolarHBondContact NE-OE1 2.72Å; R194-E205 IonicContact NH2-OE1 2.8Å; R194-E205 PolarHBondContact NH2-OE1 2.98Å; R194-G439 WeakPolarHBondContact CA-O 3.39Å; R194-G439 WeakPolarHBondContact CG-O 3.41Å
195	D	92.2	Very high	84.8	Confident	61 Å²	61	31.9 Å²	31.9	33%	0.326	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	38.3	171.1	-54.5	-43.1	0	0	0	114.4	G143 E144 A145 G439	G143-D195 WeakPolarHBondContact O-CB 3.36Å; E144-D195 CarbonylContact C-O 3.5Å; E144-D195 VanDerWaalsContact CA-O 3.29Å; E144-D195 WeakPolarHBondContact CA-O 3.33Å; A145-D195 PolarHBondContact N-O 3.42Å; D195-G439 PolarHBondContact N-O 3.29Å
196	L	93.7	Very high	86.2	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.026	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-81	140.6	175.9	-67.3	-176	0	0	0	111.9	K135 A145 L147 F175 L192 R194 C198 T200	K135-L196 HydrophobicContact CD-CD2 4.4Å; K135-L196 HydrophobicContact CG-CD2 4.42Å; A145-L196 WeakPolarHBondContact O-CA 3.48Å; L147-L196 HydrophobicContact CB-CD1 4.36Å; L147-L196 HydrophobicContact CB-CD2 4.06Å; L147-L196 HydrophobicContact CD2-CD1 4.16Å; F175-L196 HydrophobicContact CB-CD1 4.06Å; F175-L196 HydrophobicContact CD1-CD1 3.66Å; F175-L196 HydrophobicContact CE1-CD1 4.41Å; F175-L196 HydrophobicContact CG-CD1 4.08Å; L192-L196 WeakPolarHBondContact O-CD1 3.15Å; L192-L196 WeakPolarHBondContact O-CD2 3.33Å; L192-L196 WeakPolarHBondContact O-CG 3.26Å; R194-L196 PolarHBondContact O-N 3.4Å; R194-L196 VanDerWaalsContact O-N 3.14Å; L196-C198 PolarHBondContact O-N 2.67Å; L196-T200 HydrophobicContact CB-CG2 4.2Å; L196-T200 HydrophobicContact CD1-CG2 3.87Å; L196-T200 HydrophobicContact CG-CG2 4.48Å
197	T	92.3	Very high	87	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.012	15%	0.147	C	C	.	.	S	Bend	trans	-69	-21.4	170.4	55.7	0	0	0	0	112.9	A138 E144 A145 R171 R442	A138-T197 HydrophobicContact CB-CG2 3.31Å; E144-T197 HydrophobicContact CB-CG2 3.71Å; A145-T197 PolarHBondContact O-N 2.81Å; A145-T197 PolarHBondContact O-OG1 2.79Å; R171-T197 PolarHBondContact NH2-OG1 3.21Å; T197-R442 WeakPolarHBondContact O-CD 3.37Å; T197-R442 PolarHBondContact O-NE 2.85Å; T197-R442 PolarHBondContact O-NH1 2.84Å; T197-R442 VanDerWaalsContact O-NH1 3.08Å
198	C	93.5	Very high	87.5	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.007	14%	0.135	C	C	.	.	S	Bend	trans	-90.4	149.8	172.6	63.6	0	0	0	0	110.8	A172 L196	A172-C198 WeakPolarHBondContact O-CB 3.16Å; L196-C198 PolarHBondContact O-N 2.67Å
199	P	94.9	Very high	87.7	Confident	6 Å²	6	23.8 Å²	23.8	4%	0.039	12%	0.12	C	C	.	.			trans	-56.5	137.5	171.6	18.4	-29.8	0	0	0	112.6	T173 Y174 F175 R508 C512	T173-P199 VanDerWaalsContact O-CD 3.26Å; T173-P199 WeakPolarHBondContact O-CD 3.49Å; T173-P199 WeakPolarHBondContact O-CG 3.43Å; Y174-P199 WeakPolarHBondContact CA-O 3.42Å; Y174-P199 HydrophobicContact CD2-CB 4.04Å; Y174-P199 HydrophobicContact CD2-CG 4.01Å; Y174-P199 HydrophobicContact CE2-CB 4.45Å; F175-P199 PolarHBondContact N-O 3.14Å; P199-R508 HydrophobicContact CB-CB 4.03Å; P199-R508 VanDerWaalsContact CB-CZ 3.43Å; P199-R508 HydrophobicContact CG-CB 3.92Å; P199-C512 HydrophobicContact CG-CB 4.1Å
200	T	94	Very high	87.7	Confident	3 Å²	3	25 Å²	25	2%	0.018	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-116.7	140.8	172.8	65.9	0	0	0	0	111.2	F175 L196 R442 A443 H444 R508	F175-T200 HydrophobicContact CB-CG2 4.22Å; F175-T200 HydrophobicContact CD1-CG2 4.31Å; F175-T200 VanDerWaalsContact O-CA 3.23Å; F175-T200 WeakPolarHBondContact O-CA 3.33Å; L196-T200 HydrophobicContact CB-CG2 4.2Å; L196-T200 HydrophobicContact CD1-CG2 3.87Å; L196-T200 HydrophobicContact CG-CG2 4.48Å; T200-R442 PolarHBondContact N-O 3.3Å; T200-R442 VanDerWaalsContact N-O 3.08Å; T200-A443 VanDerWaalsContact OG1-CA 3.26Å; T200-A443 WeakPolarHBondContact OG1-CA 3.44Å; T200-A443 WeakPolarHBondContact OG1-CB 3.07Å; T200-H444 PolarHBondContact O-N 3Å; T200-R508 PolarHBondContact O-NH1 2.9Å; T200-R508 PolarHBondContact O-NH2 2.64Å
201	G	89	Confident	87.5	Confident	2 Å²	2	27.4 Å²	27.4	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-89.3	-5.5	178.5	0	0	0	0	0	114.9	Y174 F175 H444 D446	Y174-G201 WeakPolarHBondContact OH-CA 3.47Å; Y174-G201 PolarHBondContact OH-N 3.43Å; F175-G201 PolarHBondContact O-N 3.27Å; G201-H444 CarbonylContact C-O 3.54Å; G201-H444 WeakPolarHBondContact CA-O 3.33Å; G201-D446 WeakPolarHBondContact CA-OD2 3.42Å; G201-D446 PolarHBondContact O-N 3.22Å
202	A	83.8	Confident	87.4	Confident	22 Å²	22	24.1 Å²	24.1	18%	0.182	12%	0.121	C	C	.	.			trans	-159.3	153.6	174	0	0	0	0	0	109.5	L176 L179	L176-A202 HydrophobicContact CD1-CB 4.37Å; L179-A202 HydrophobicContact CD1-CB 3.98Å
203	S	88.7	Confident	87.2	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.			trans	-138.5	163.3	169.3	68	0	0	0	0	109.8	L179 E205 L206 A207 R438	L179-S203 WeakPolarHBondContact CD1-O 3.27Å; S203-E205 VanDerWaalsContact C-N 3.26Å; S203-E205 PolarHBondContact O-N 3.27Å; S203-L206 PolarHBondContact O-N 3.27Å; S203-L206 WeakPolarHBondContact OG-CB 3.46Å; S203-L206 VanDerWaalsContact OG-CG 3.28Å; S203-L206 WeakPolarHBondContact OG-CG 3.48Å; S203-L206 PolarHBondContact OG-N 2.95Å; S203-L206 VanDerWaalsContact OG-N 3.08Å; S203-A207 VanDerWaalsContact O-CB 3.23Å; S203-A207 WeakPolarHBondContact O-CB 3.33Å; S203-A207 PolarHBondContact O-N 2.94Å; S203-R438 WeakPolarHBondContact CB-O 3.23Å; S203-R438 PolarHBondContact OG-O 3.35Å
204	A	84.6	Confident	87.1	Confident	13 Å²	13	25.1 Å²	25.1	11%	0.107	12%	0.123	C	C	.	.	H	α-helix	trans	-65.6	-35.1	178.4	0	0	0	0	0	111.9	A190 R208	A190-A204 HydrophobicContact CB-CB 3.55Å; A204-R208 VanDerWaalsContact O-CG 3.23Å; A204-R208 WeakPolarHBondContact O-CG 3.23Å; A204-R208 PolarHBondContact O-N 3.22Å
205	E	86.8	Confident	86.8	Confident	28 Å²	28	22.7 Å²	22.7	13%	0.131	11%	0.114	C	C	.	.	H	α-helix	trans	-66.2	-46.6	178.3	-63.2	72.4	-163.5	0	0	110.7	R194 S203 R208 L209 Q437 G439	R194-E205 IonicContact CZ-OE1 2.64Å; R194-E205 IonicContact NE-OE1 3.72Å; R194-E205 PolarHBondContact NE-OE1 2.72Å; R194-E205 IonicContact NH2-OE1 2.8Å; R194-E205 PolarHBondContact NH2-OE1 2.98Å; S203-E205 VanDerWaalsContact C-N 3.26Å; S203-E205 PolarHBondContact O-N 3.27Å; E205-R208 PolarHBondContact O-N 3.24Å; E205-L209 PolarHBondContact O-N 2.72Å; E205-Q437 VanDerWaalsContact CB-O 3.29Å; E205-Q437 WeakPolarHBondContact CB-O 3.24Å; E205-G439 VanDerWaalsContact OE2-CA 3.23Å; E205-G439 WeakPolarHBondContact OE2-CA 3.13Å
206	L	87.4	Confident	86.6	Confident	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-68.1	-39.5	175	-68.2	174.4	0	0	0	112.4	S203 R208 L209 L210 M426 E430 L433 R438 A443	S203-L206 PolarHBondContact O-N 3.27Å; S203-L206 WeakPolarHBondContact OG-CB 3.46Å; S203-L206 VanDerWaalsContact OG-CG 3.28Å; S203-L206 WeakPolarHBondContact OG-CG 3.48Å; S203-L206 PolarHBondContact OG-N 2.95Å; S203-L206 VanDerWaalsContact OG-N 3.08Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 2.87Å; L206-L209 HydrophobicContact CD2-CD1 4.3Å; L206-L209 WeakPolarHBondContact O-CB 3.5Å; L206-L209 PolarHBondContact O-N 3.01Å; L206-L209 VanDerWaalsContact O-N 3.12Å; L206-L210 PolarHBondContact O-N 3.46Å; L206-M426 HydrophobicContact CD2-CE 4.4Å; L206-E430 HydrophobicContact CD2-CG 3.9Å; L206-L433 HydrophobicContact CD2-CD1 4.09Å; L206-R438 HydrophobicContact CD2-CB 4.47Å; L206-R438 HydrophobicContact CD2-CG 4.2Å; L206-A443 HydrophobicContact CD1-CB 4.39Å
207	A	82.7	Confident	86.4	Confident	17 Å²	17	20.1 Å²	20.1	14%	0.14	10%	0.1	C	C	.	.	H	α-helix	trans	-61.4	-37.8	176.7	0	0	0	0	0	111.9	L179 S203 L209 L210 E211	L179-A207 HydrophobicContact CD1-CB 3.92Å; S203-A207 VanDerWaalsContact O-CB 3.23Å; S203-A207 WeakPolarHBondContact O-CB 3.33Å; S203-A207 PolarHBondContact O-N 2.94Å; A207-L209 VanDerWaalsContact C-N 3.3Å; A207-L209 PolarHBondContact O-N 3.03Å; A207-L210 PolarHBondContact O-N 2.97Å; A207-E211 WeakPolarHBondContact O-CB 3.35Å; A207-E211 WeakPolarHBondContact O-CG 3.46Å; A207-E211 PolarHBondContact O-N 2.81Å
208	R	81.1	Confident	86.1	Confident	115 Å²	115	20.7 Å²	20.7	43%	0.434	10%	0.103	S	C	.	.	H	α-helix	trans	-60.6	-38.4	174.2	-75.7	169.7	-175.3	172	3.9	112.3	A204 E205 L206 E211 D212 W292	A204-R208 VanDerWaalsContact O-CG 3.23Å; A204-R208 WeakPolarHBondContact O-CG 3.23Å; A204-R208 PolarHBondContact O-N 3.22Å; E205-R208 PolarHBondContact O-N 3.24Å; L206-R208 VanDerWaalsContact C-N 3.29Å; L206-R208 PolarHBondContact O-N 2.87Å; R208-E211 PolarHBondContact O-N 2.84Å; R208-D212 PolarHBondContact O-N 3.18Å; R208-W292 HydrophobicContact CB-CB 4.37Å; R208-W292 HydrophobicContact CG-CB 4.1Å; R208-W292 HydrophobicContact CG-CG 4.46Å
209	L	82.3	Confident	85.8	Confident	30 Å²	30	21.9 Å²	21.9	16%	0.157	11%	0.109	C	C	.	.	H	α-helix	trans	-68.1	-43.1	177.3	-60.4	174.6	0	0	0	111.5	E205 L206 A207 E211 D212 L215 M426 L429 L433	E205-L209 PolarHBondContact O-N 2.72Å; L206-L209 HydrophobicContact CD2-CD1 4.3Å; L206-L209 WeakPolarHBondContact O-CB 3.5Å; L206-L209 PolarHBondContact O-N 3.01Å; L206-L209 VanDerWaalsContact O-N 3.12Å; A207-L209 VanDerWaalsContact C-N 3.3Å; A207-L209 PolarHBondContact O-N 3.03Å; L209-E211 PolarHBondContact O-N 3.41Å; L209-D212 PolarHBondContact O-N 3.02Å; L209-L215 HydrophobicContact CB-CD2 4Å; L209-L215 HydrophobicContact CD2-CD2 3.7Å; L209-L215 HydrophobicContact CG-CD2 4.44Å; L209-M426 HydrophobicContact CB-CE 4.39Å; L209-L429 HydrophobicContact CD1-CD2 4.44Å; L209-L433 HydrophobicContact CD1-CD1 3.54Å
210	L	80.7	Confident	85.5	Confident	32 Å²	32	21.8 Å²	21.8	17%	0.168	11%	0.108	C	C	.	.	H	α-helix	trans	-65.8	-26.4	177.1	-70.4	173.3	0	0	0	113.1	L206 A207 T216 M426 T445 L448 L468	L206-L210 PolarHBondContact O-N 3.46Å; A207-L210 PolarHBondContact O-N 2.97Å; L210-T216 WeakPolarHBondContact O-CG2 3.37Å; L210-M426 HydrophobicContact CD2-CE 4.21Å; L210-M426 HydrophobicContact CD2-CG 3.98Å; L210-M426 HydrophobicContact CD2-SD 3.48Å; L210-M426 WeakPolarHBondContact CD2-SD 3.39Å; L210-M426 HydrophobicContact CG-CE 4.39Å; L210-M426 HydrophobicContact CG-SD 4.28Å; L210-T445 HydrophobicContact CD1-CG2 4.19Å; L210-L448 HydrophobicContact CD1-CD1 4.47Å; L210-L448 HydrophobicContact CD2-CD1 3.78Å; L210-L468 HydrophobicContact CD2-CD1 4.01Å
211	E	78.1	Confident	85.1	Confident	60 Å²	60	23 Å²	23	28%	0.28	12%	0.118	S	C	.	.	H	α-helix	trans	-87.4	-15.7	-179.1	-73.3	174.9	-177.1	0	0	113.7	A207 R208 L209 R213 R295	A207-E211 WeakPolarHBondContact O-CB 3.35Å; A207-E211 WeakPolarHBondContact O-CG 3.46Å; A207-E211 PolarHBondContact O-N 2.81Å; R208-E211 PolarHBondContact O-N 2.84Å; L209-E211 PolarHBondContact O-N 3.41Å; E211-R213 PolarHBondContact O-N 3.39Å; E211-R295 IonicContact OE1-CZ 3.19Å; E211-R295 IonicContact OE1-NE 3.32Å; E211-R295 PolarHBondContact OE1-NE 3.24Å; E211-R295 IonicContact OE1-NH2 3.61Å; E211-R295 PolarHBondContact OE1-NH2 2.98Å; E211-R295 WeakPolarHBondContact OE2-CD 3.38Å; E211-R295 IonicContact OE2-CZ 2.76Å; E211-R295 IonicContact OE2-NE 2.8Å; E211-R295 PolarHBondContact OE2-NE 3.08Å
212	D	82.5	Confident	84.8	Confident	20 Å²	20	27.6 Å²	27.6	11%	0.107	14%	0.139	C	C	.	.			trans	-76.2	108.6	172.2	-170.8	-23.6	0	0	0	110.2	R208 L209 L214 L215 T216 S290	R208-D212 PolarHBondContact O-N 3.18Å; L209-D212 PolarHBondContact O-N 3.02Å; D212-L214 PolarHBondContact OD1-N 3.07Å; D212-L215 HydrophobicContact CB-CB 3.85Å; D212-L215 PolarHBondContact O-N 3.24Å; D212-L215 PolarHBondContact OD1-N 3.1Å; D212-T216 WeakPolarHBondContact O-CB 3.37Å; D212-T216 VanDerWaalsContact O-CG2 3.32Å; D212-T216 WeakPolarHBondContact O-CG2 3.34Å; D212-T216 PolarHBondContact O-N 2.87Å; D212-T216 PolarHBondContact O-OG1 3.25Å; D212-S290 PolarHBondContact OD1-OG 3.43Å
213	R	83.8	Confident	84.5	Confident	47 Å²	47	29.6 Å²	29.6	18%	0.177	15%	0.145	C	C	.	.	H	α-helix	trans	-65.4	-39.7	-178.6	-74.2	-172.7	176.6	150	4	112.3	E211 T216 R217 S290 L329 E467	E211-R213 PolarHBondContact O-N 3.39Å; R213-T216 WeakPolarHBondContact CA-OG1 3.49Å; R213-T216 PolarHBondContact O-N 2.9Å; R213-T216 PolarHBondContact O-OG1 2.88Å; R213-T216 VanDerWaalsContact O-OG1 3.04Å; R213-R217 WeakPolarHBondContact O-CB 3.47Å; R213-R217 WeakPolarHBondContact O-CG 3.22Å; R213-R217 PolarHBondContact O-N 2.85Å; R213-S290 PolarHBondContact N-OG 2.76Å; R213-L329 HydrophobicContact CB-CD1 3.82Å; R213-E467 IonicContact CZ-OE1 2.8Å; R213-E467 IonicContact NE-OE1 3.35Å; R213-E467 IonicContact NH2-OE1 3Å; R213-E467 PolarHBondContact NH2-OE1 2.9Å
214	L	86.1	Confident	83.4	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-64.3	-47.2	179.9	179.7	55.3	0	0	0	110.5	D212 R217 Q218 A233 T235 L242 L251 L253 S290 S327 L329	D212-L214 PolarHBondContact OD1-N 3.07Å; L214-R217 PolarHBondContact O-N 3.08Å; L214-Q218 WeakPolarHBondContact O-CB 3.5Å; L214-Q218 PolarHBondContact O-N 3.42Å; L214-A233 HydrophobicContact CD1-CB 3.51Å; L214-A233 HydrophobicContact CD2-CB 3.9Å; L214-A233 HydrophobicContact CG-CB 4.34Å; L214-T235 WeakPolarHBondContact CD2-OG1 3.31Å; L214-L242 HydrophobicContact CD2-CD1 3.87Å; L214-L242 HydrophobicContact CG-CD1 4.29Å; L214-L251 HydrophobicContact CD1-CD1 4.25Å; L214-L253 HydrophobicContact CD2-CD1 3.89Å; L214-S290 PolarHBondContact N-OG 3.25Å; L214-S290 VanDerWaalsContact N-OG 3.1Å; L214-S327 VanDerWaalsContact CD2-OG 3.27Å; L214-S327 WeakPolarHBondContact CD2-OG 3.45Å; L214-L329 HydrophobicContact CB-CD2 4.15Å; L214-L329 HydrophobicContact CD1-CD2 4.16Å
215	L	85.6	Confident	82.9	Confident	10 Å²	10	35.6 Å²	35.6	5%	0.052	21%	0.208	C	C	.	.	H	α-helix	trans	-59.4	-50.3	177.1	178.6	61.8	0	0	0	111.1	L209 D212 R217 Q218 L219 L242	L209-L215 HydrophobicContact CB-CD2 4Å; L209-L215 HydrophobicContact CD2-CD2 3.7Å; L209-L215 HydrophobicContact CG-CD2 4.44Å; D212-L215 HydrophobicContact CB-CB 3.85Å; D212-L215 PolarHBondContact O-N 3.24Å; D212-L215 PolarHBondContact OD1-N 3.1Å; L215-R217 VanDerWaalsContact C-N 3.33Å; L215-R217 PolarHBondContact O-N 2.89Å; L215-Q218 PolarHBondContact O-N 3.35Å; L215-L219 HydrophobicContact CD1-CD1 4.05Å; L215-L219 HydrophobicContact CD1-CG 4.12Å; L215-L219 HydrophobicContact CG-CD1 3.83Å; L215-L219 HydrophobicContact CG-CG 4.36Å; L215-L219 WeakPolarHBondContact O-CB 3.4Å; L215-L219 VanDerWaalsContact O-CG 3.24Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 3.15Å; L215-L242 HydrophobicContact CB-CD2 4.14Å; L215-L242 HydrophobicContact CD1-CD2 3.82Å
216	T	87.8	Confident	82.8	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.043	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-37.2	179.6	52.1	0	0	0	0	112.5	L210 D212 R213 L220 L468	L210-T216 WeakPolarHBondContact O-CG2 3.37Å; D212-T216 WeakPolarHBondContact O-CB 3.37Å; D212-T216 VanDerWaalsContact O-CG2 3.32Å; D212-T216 WeakPolarHBondContact O-CG2 3.34Å; D212-T216 PolarHBondContact O-N 2.87Å; D212-T216 PolarHBondContact O-OG1 3.25Å; R213-T216 WeakPolarHBondContact CA-OG1 3.49Å; R213-T216 PolarHBondContact O-N 2.9Å; R213-T216 PolarHBondContact O-OG1 2.88Å; R213-T216 VanDerWaalsContact O-OG1 3.04Å; T216-L220 VanDerWaalsContact O-CB 3.3Å; T216-L220 WeakPolarHBondContact O-CB 3.38Å; T216-L220 WeakPolarHBondContact O-CG 3.36Å; T216-L220 PolarHBondContact O-N 3.24Å; T216-L468 HydrophobicContact CG2-CD1 3.58Å; T216-L468 HydrophobicContact CG2-CG 4.39Å
217	R	88.3	Confident	82.9	Confident	6 Å²	6	36.5 Å²	36.5	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-48.9	172.1	-72.5	-71.8	-179.2	-106.9	-11.1	112	R213 L214 L215 L220 A221 P229 L251 E331 A465 L466	R213-R217 WeakPolarHBondContact O-CB 3.47Å; R213-R217 WeakPolarHBondContact O-CG 3.22Å; R213-R217 PolarHBondContact O-N 2.85Å; L214-R217 PolarHBondContact O-N 3.08Å; L215-R217 VanDerWaalsContact C-N 3.33Å; L215-R217 PolarHBondContact O-N 2.89Å; R217-L220 PolarHBondContact O-N 3Å; R217-A221 WeakPolarHBondContact O-CB 3.4Å; R217-A221 PolarHBondContact O-N 2.91Å; R217-P229 VanDerWaalsContact CZ-CD 3.49Å; R217-L251 HydrophobicContact CB-CD1 4.18Å; R217-E331 IonicContact CZ-OE1 3.89Å; R217-E331 IonicContact NE-OE1 2.6Å; R217-E331 PolarHBondContact NE-OE1 2.83Å; R217-E331 IonicContact NH2-OE1 2.71Å; R217-E331 PolarHBondContact NH2-OE1 2.76Å; R217-E331 IonicContact NH2-OE2 3.92Å; R217-A465 PolarHBondContact NH1-O 2.88Å; R217-L466 PolarHBondContact NH1-O 2.88Å; R217-L466 PolarHBondContact NH2-O 3.36Å
218	Q	86.6	Confident	83.2	Confident	14 Å²	14	36.9 Å²	36.9	7%	0.065	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-46.3	-179.5	-173.7	175	-7.7	0	0	111.5	L214 L215 L220 A221 Q222 L251	L214-Q218 WeakPolarHBondContact O-CB 3.5Å; L214-Q218 PolarHBondContact O-N 3.42Å; L215-Q218 PolarHBondContact O-N 3.35Å; Q218-L220 PolarHBondContact O-N 3.02Å; Q218-A221 PolarHBondContact O-N 3.06Å; Q218-Q222 WeakPolarHBondContact O-CB 3.37Å; Q218-Q222 VanDerWaalsContact O-CG 3.24Å; Q218-Q222 WeakPolarHBondContact O-CG 3.38Å; Q218-Q222 PolarHBondContact O-N 3.44Å; Q218-L251 HydrophobicContact CB-CD2 3.78Å; Q218-L251 HydrophobicContact CG-CD2 3.92Å
219	L	87.3	Confident	83.6	Confident	25 Å²	25	31.6 Å²	31.6	13%	0.131	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-47.9	177.9	-70.5	168	0	0	0	112	L215 Q223 L429	L215-L219 HydrophobicContact CD1-CD1 4.05Å; L215-L219 HydrophobicContact CD1-CG 4.12Å; L215-L219 HydrophobicContact CG-CD1 3.83Å; L215-L219 HydrophobicContact CG-CG 4.36Å; L215-L219 WeakPolarHBondContact O-CB 3.4Å; L215-L219 VanDerWaalsContact O-CG 3.24Å; L215-L219 WeakPolarHBondContact O-CG 3.42Å; L215-L219 PolarHBondContact O-N 3.15Å; L219-Q223 PolarHBondContact O-N 3.45Å; L219-L429 HydrophobicContact CD1-CD2 3.54Å; L219-L429 HydrophobicContact CD2-CB 4.1Å; L219-L429 HydrophobicContact CD2-CD1 4.32Å; L219-L429 HydrophobicContact CD2-CD2 4.1Å; L219-L429 HydrophobicContact CD2-CG 4.4Å; L219-L429 HydrophobicContact CG-CD2 4.44Å
220	L	89	Confident	83.9	Confident	5 Å²	5	30.4 Å²	30.4	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-70.3	-37.7	-178.6	-65.8	178.3	0	0	0	111.8	T216 R217 Q218 Q222 Q223 V226 V228 A422 A425 A465 L468	T216-L220 VanDerWaalsContact O-CB 3.3Å; T216-L220 WeakPolarHBondContact O-CB 3.38Å; T216-L220 WeakPolarHBondContact O-CG 3.36Å; T216-L220 PolarHBondContact O-N 3.24Å; R217-L220 PolarHBondContact O-N 3Å; Q218-L220 PolarHBondContact O-N 3.02Å; L220-Q222 VanDerWaalsContact C-N 3.32Å; L220-Q222 PolarHBondContact O-N 2.66Å; L220-Q223 PolarHBondContact O-N 2.79Å; L220-V226 HydrophobicContact CB-CB 4.39Å; L220-V226 HydrophobicContact CB-CG1 4.05Å; L220-V226 HydrophobicContact CD1-CG1 4.43Å; L220-V226 HydrophobicContact CD2-CG1 4.33Å; L220-V226 HydrophobicContact CG-CG1 4.5Å; L220-V228 HydrophobicContact CB-CG1 3.53Å; L220-V228 HydrophobicContact CD1-CG1 4.21Å; L220-A422 VanDerWaalsContact CD2-CA 3.45Å; L220-A422 HydrophobicContact CD2-CB 3.47Å; L220-A422 VanDerWaalsContact CD2-CB 3.47Å; L220-A425 HydrophobicContact CD2-CB 4.18Å; L220-A465 HydrophobicContact CD1-CB 4.09Å; L220-L468 HydrophobicContact CD1-CD2 4.35Å
221	A	85.4	Confident	84.4	Confident	28 Å²	28	28.9 Å²	28.9	23%	0.231	19%	0.187	C	C	.	.	H	α-helix	trans	-66.8	-31.8	177.8	0	0	0	0	0	113.3	R217 Q218 Q223 V228	R217-A221 WeakPolarHBondContact O-CB 3.4Å; R217-A221 PolarHBondContact O-N 2.91Å; Q218-A221 PolarHBondContact O-N 3.06Å; A221-Q223 VanDerWaalsContact C-N 3.3Å; A221-V228 HydrophobicContact CB-CG2 3.74Å
222	Q	82.6	Confident	85.1	Confident	98 Å²	98	26 Å²	26	46%	0.458	17%	0.174	S	C	.	.	H	α-helix	trans	-73.3	-23.2	176.3	-73.7	174.1	2.7	0	0	112.5	Q218 L220	Q218-Q222 WeakPolarHBondContact O-CB 3.37Å; Q218-Q222 VanDerWaalsContact O-CG 3.24Å; Q218-Q222 WeakPolarHBondContact O-CG 3.38Å; Q218-Q222 PolarHBondContact O-N 3.44Å; L220-Q222 VanDerWaalsContact C-N 3.32Å; L220-Q222 PolarHBondContact O-N 2.66Å
223	Q	76.6	Confident	85.5	Confident	64 Å²	64	25.1 Å²	25.1	30%	0.299	17%	0.169	S	C	.	.	S	Bend	trans	-80.3	127.4	174.8	-68.1	-59.1	-31.4	0	0	110.9	L219 L220 A221 G225 A425	L219-Q223 PolarHBondContact O-N 3.45Å; L220-Q223 PolarHBondContact O-N 2.79Å; A221-Q223 VanDerWaalsContact C-N 3.3Å; Q223-G225 PolarHBondContact O-N 2.98Å; Q223-G225 VanDerWaalsContact O-N 3.16Å; Q223-A425 HydrophobicContact CG-CB 3.39Å
224	G	66.2	Low	85.8	Confident	76 Å²	76	22.9 Å²	22.9	78%	0.784	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	118.5	171.6	0	0	0	0	0	110.7
225	G	74.9	Confident	85.9	Confident	64 Å²	64	22.8 Å²	22.8	66%	0.66	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	111	-0.3	170.9	0	0	0	0	0	116.8	Q223	Q223-G225 PolarHBondContact O-N 2.98Å; Q223-G225 VanDerWaalsContact O-N 3.16Å
226	V	84.9	Confident	85.8	Confident	11 Å²	11	24.2 Å²	24.2	7%	0.067	17%	0.165	C	C	.	.			trans	-110.2	112.8	171	-170.8	0	0	0	0	109.8	L220 V228 A418 A421 A465	L220-V226 HydrophobicContact CB-CB 4.39Å; L220-V226 HydrophobicContact CB-CG1 4.05Å; L220-V226 HydrophobicContact CD1-CG1 4.43Å; L220-V226 HydrophobicContact CD2-CG1 4.33Å; L220-V226 HydrophobicContact CG-CG1 4.5Å; V226-V228 HydrophobicContact CG1-CG1 4.42Å; V226-A418 WeakPolarHBondContact CG2-O 3.34Å; V226-A421 HydrophobicContact CG2-CB 3.58Å; V226-A465 HydrophobicContact CG1-CB 3.77Å
227	A	88.3	Confident	85.2	Confident	36 Å²	36	28.2 Å²	28.2	30%	0.298	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-76.9	133.3	170.4	0	0	0	0	0	109.4	T462 V464 A465	A227-T462 HydrophobicContact CB-CG2 4.3Å; A227-V464 HydrophobicContact CB-CG2 4.09Å; A227-V464 CarbonylContact O-C 3.57Å; A227-V464 WeakPolarHBondContact O-CA 3.3Å; A227-A465 PolarHBondContact O-N 3.4Å
228	V	89.5	Confident	84.3	Confident	26 Å²	26	28.3 Å²	28.3	16%	0.158	18%	0.183	C	C	.	.			trans	-122.6	159.6	172.6	-63.9	0	0	0	0	110.5	L220 A221 V226 A230	L220-V228 HydrophobicContact CB-CG1 3.53Å; L220-V228 HydrophobicContact CD1-CG1 4.21Å; A221-V228 HydrophobicContact CB-CG2 3.74Å; V226-V228 HydrophobicContact CG1-CG1 4.42Å; V228-A230 PolarHBondContact O-N 2.96Å
229	P	89.1	Confident	83.5	Confident	4 Å²	4	28.6 Å²	28.6	3%	0.026	19%	0.186	C	C	.	.			trans	-56.5	135	171.8	-28.4	36	0	0	0	113.8	R217 T231 Y334 V464 A465 L466	R217-P229 VanDerWaalsContact CZ-CD 3.49Å; P229-T231 PolarHBondContact O-N 3.23Å; P229-T231 PolarHBondContact O-OG1 2.99Å; P229-Y334 HydrophobicContact CB-CD2 4.29Å; P229-Y334 HydrophobicContact CB-CE2 3.68Å; P229-Y334 HydrophobicContact CG-CD2 4.1Å; P229-Y334 HydrophobicContact CG-CE2 3.87Å; P229-V464 HydrophobicContact CG-CG1 4.09Å; P229-A465 VanDerWaalsContact CD-O 3.22Å; P229-A465 WeakPolarHBondContact CD-O 3.44Å; P229-L466 HydrophobicContact CG-CD2 4.19Å
230	A	89.6	Confident	82.5	Confident	5 Å²	5	30.4 Å²	30.4	4%	0.041	21%	0.211	C	C	.	.			trans	-57.1	130.2	166.5	0	0	0	0	0	108.7	V228 G250 F273 A278 L279 E331 A332	V228-A230 PolarHBondContact O-N 2.96Å; A230-G250 CarbonylContact C-O 3.54Å; A230-G250 VanDerWaalsContact CA-O 3.23Å; A230-G250 WeakPolarHBondContact CA-O 3.41Å; A230-F273 HydrophobicContact CB-CE2 4.2Å; A230-F273 HydrophobicContact CB-CZ 4.23Å; A230-A278 HydrophobicContact CB-CB 4.09Å; A230-A278 WeakPolarHBondContact CB-O 3.29Å; A230-L279 HydrophobicContact CB-CD2 4.41Å; A230-E331 CarbonylContact O-C 3.54Å; A230-E331 WeakPolarHBondContact O-CA 3.49Å; A230-A332 HydrophobicContact CB-CB 4.19Å; A230-A332 PolarHBondContact O-N 3.42Å
231	T	91.3	Very high	81.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	122.9	-165.3	-61.3	0	0	0	0	109.9	P229 G250 L251 R252 L329 E331	P229-T231 PolarHBondContact O-N 3.23Å; P229-T231 PolarHBondContact O-OG1 2.99Å; T231-G250 PolarHBondContact N-O 3.49Å; T231-L251 HydrophobicContact CG2-CD1 4.03Å; T231-L251 CarbonylContact O-C 3.6Å; T231-L251 WeakPolarHBondContact O-CA 3.42Å; T231-R252 PolarHBondContact O-N 3.05Å; T231-L329 HydrophobicContact CG2-CB 4.42Å; T231-L329 HydrophobicContact CG2-CD2 4.2Å; T231-E331 HydrophobicContact CG2-CG 3.88Å; T231-E331 PolarHBondContact OG1-OE1 3.37Å
232	L	91.9	Very high	80.3	Confident	0 Å²	0	33 Å²	33	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.2	164.6	172.2	69.3	0	0	0	108.5	F234 R252 V254 E269 V270 F273 L329 V330	L232-F234 HydrophobicContact CD2-CE2 3.63Å; L232-F234 HydrophobicContact CD2-CZ 3.79Å; L232-F234 HydrophobicContact CG-CE2 3.93Å; L232-F234 HydrophobicContact CG-CZ 4.26Å; L232-R252 CarbonylContact C-O 3.6Å; L232-R252 WeakPolarHBondContact CA-O 3.35Å; L232-R252 HydrophobicContact CD1-CB 3.88Å; L232-R252 HydrophobicContact CD1-CG 3.87Å; L232-V254 HydrophobicContact CD1-CG2 3.8Å; L232-E269 HydrophobicContact CD2-CB 4.4Å; L232-V270 HydrophobicContact CD2-CB 4.49Å; L232-V270 HydrophobicContact CD2-CG2 3.96Å; L232-F273 HydrophobicContact CB-CB 4.11Å; L232-F273 HydrophobicContact CB-CD1 3.88Å; L232-F273 HydrophobicContact CB-CD2 3.76Å; L232-F273 HydrophobicContact CB-CE1 4.21Å; L232-F273 HydrophobicContact CB-CE2 4.09Å; L232-F273 HydrophobicContact CB-CG 3.64Å; L232-F273 HydrophobicContact CB-CZ 4.3Å; L232-F273 HydrophobicContact CD2-CB 3.78Å; L232-F273 HydrophobicContact CD2-CD1 4.41Å; L232-F273 HydrophobicContact CD2-CG 4.16Å; L232-F273 HydrophobicContact CG-CB 4.42Å; L232-F273 HydrophobicContact CG-CG 4.46Å; L232-L329 CarbonylContact O-C 3.49Å; L232-L329 WeakPolarHBondContact O-CA 3.28Å; L232-V330 HydrophobicContact CB-CB 4.27Å; L232-V330 PolarHBondContact N-O 3.03Å; L232-V330 PolarHBondContact O-N 2.95Å
233	A	91	Very high	79.1	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.4	-176.6	0	0	0	0	0	111.2	L214 R252 L253 V254 V328 L329	L214-A233 HydrophobicContact CD1-CB 3.51Å; L214-A233 HydrophobicContact CD2-CB 3.9Å; L214-A233 HydrophobicContact CG-CB 4.34Å; A233-R252 PolarHBondContact N-O 2.75Å; A233-L253 HydrophobicContact CB-CD1 3.95Å; A233-V254 PolarHBondContact O-N 2.99Å; A233-V328 WeakPolarHBondContact CA-O 3.43Å; A233-L329 HydrophobicContact CB-CD2 3.45Å; A233-L329 VanDerWaalsContact CB-CD2 3.45Å
234	F	90.5	Very high	78	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.8	168.8	-64.5	-83.8	0	0	0	108.8	L232 V254 L256 V266 E269 V270 V315 L319 S327 V328	L232-F234 HydrophobicContact CD2-CE2 3.63Å; L232-F234 HydrophobicContact CD2-CZ 3.79Å; L232-F234 HydrophobicContact CG-CE2 3.93Å; L232-F234 HydrophobicContact CG-CZ 4.26Å; F234-V254 WeakPolarHBondContact CA-O 3.26Å; F234-V254 HydrophobicContact CD1-CB 3.72Å; F234-V254 HydrophobicContact CD1-CG1 3.79Å; F234-V254 HydrophobicContact CD1-CG2 4.27Å; F234-V254 HydrophobicContact CE1-CB 4Å; F234-V254 HydrophobicContact CE1-CG1 3.94Å; F234-V254 HydrophobicContact CE1-CG2 4.09Å; F234-L256 HydrophobicContact CB-CD1 4.05Å; F234-L256 HydrophobicContact CB-CG 4.48Å; F234-L256 HydrophobicContact CD1-CD2 4.31Å; F234-V266 HydrophobicContact CD1-CG2 4.22Å; F234-V266 HydrophobicContact CE1-CB 4.32Å; F234-V266 HydrophobicContact CE1-CG2 3.92Å; F234-V266 HydrophobicContact CE2-CG1 4.4Å; F234-V266 HydrophobicContact CZ-CB 4.29Å; F234-V266 HydrophobicContact CZ-CG1 4.08Å; F234-V266 HydrophobicContact CZ-CG2 4.27Å; F234-E269 HydrophobicContact CE1-CB 3.87Å; F234-E269 HydrophobicContact CE1-CG 4.32Å; F234-E269 HydrophobicContact CZ-CB 3.73Å; F234-V270 HydrophobicContact CE2-CG2 3.91Å; F234-V270 HydrophobicContact CZ-CG2 3.97Å; F234-V315 HydrophobicContact CD2-CG1 3.81Å; F234-V315 HydrophobicContact CE2-CG1 3.92Å; F234-L319 HydrophobicContact CB-CD2 3.88Å; F234-S327 CarbonylContact O-C 3.6Å; F234-S327 WeakPolarHBondContact O-CA 3.49Å; F234-S327 WeakPolarHBondContact O-CB 3.44Å; F234-V328 PolarHBondContact N-O 2.92Å; F234-V328 PolarHBondContact O-N 2.93Å
235	T	87.1	Confident	77.3	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.6	-172.2	-56.3	0	0	0	0	111.3	L214 K237 P238 L253 V254 L256 S327	L214-T235 WeakPolarHBondContact CD2-OG1 3.31Å; T235-K237 PolarHBondContact O-N 3.31Å; T235-P238 HydrophobicContact CG2-CB 3.75Å; T235-L253 WeakPolarHBondContact OG1-CD1 3.46Å; T235-V254 PolarHBondContact N-O 3.3Å; T235-L256 PolarHBondContact O-N 3.19Å; T235-S327 WeakPolarHBondContact CB-OG 3.32Å; T235-S327 WeakPolarHBondContact CG2-OG 3.23Å; T235-S327 WeakPolarHBondContact OG1-CB 3.23Å; T235-S327 PolarHBondContact OG1-OG 2.79Å
236	Y	83.8	Confident	76.2	Confident	39 Å²	39	38.1 Å²	38.1	15%	0.153	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106.1	177.5	-177.2	-123.9	0	0	0	110.2	K259 E324 E325 E326	Y236-K259 HydrophobicContact CD2-CG 4.27Å; Y236-K259 HydrophobicContact CE2-CG 4.15Å; Y236-E324 HydrophobicContact CD1-CG 4.17Å; Y236-E324 HydrophobicContact CE1-CG 3.73Å; Y236-E325 PolarHBondContact O-N 3.09Å; Y236-E326 PolarHBondContact N-O 3.22Å
237	K	76.4	Confident	74.7	Confident	91 Å²	91	42.3 Å²	42.3	40%	0.396	26%	0.262	S	S	.	.	S	Bend	trans	50.9	80.5	-174.4	-62.8	-177.1	-177	176	0	112.6	T235 E324 E325	T235-K237 PolarHBondContact O-N 3.31Å; K237-E324 HydrophobicContact CD-CG 4.09Å; K237-E324 WeakPolarHBondContact CD-OE1 3.29Å; K237-E324 WeakPolarHBondContact CE-OE1 3.36Å; K237-E324 IonicContact NZ-OE1 3.09Å; K237-E324 PolarHBondContact NZ-OE1 3.33Å; K237-E325 PolarHBondContact O-N 3.18Å
238	P	68.8	Low	73.4	Confident	8 Å²	8	41.4 Å²	41.4	5%	0.052	25%	0.253	C	S	.	.			trans	-62.6	140.1	-173.7	24.5	-33.5	0	0	0	112.4	T235 L242 R243 E255	T235-P238 HydrophobicContact CG2-CB 3.75Å; P238-L242 HydrophobicContact CB-CB 4.29Å; P238-R243 HydrophobicContact CG-CG 4.41Å; P238-E255 HydrophobicContact CG-CG 3.87Å; P238-E255 WeakPolarHBondContact CG-OE1 3.32Å
239	P	68.6	Low	72.1	Confident	20 Å²	20	46.7 Å²	46.7	13%	0.13	29%	0.288	C	S	.	.			trans	-59.7	155.4	172.2	23.2	-33	0	0	0	111	L241 L242 R243 E325	P239-L241 PolarHBondContact O-N 3.11Å; P239-L241 VanDerWaalsContact O-N 3.11Å; P239-L242 HydrophobicContact CG-CB 4.32Å; P239-L242 HydrophobicContact CG-CD1 3.66Å; P239-L242 HydrophobicContact CG-CG 3.85Å; P239-L242 PolarHBondContact O-N 2.87Å; P239-R243 PolarHBondContact O-N 3.39Å; P239-E325 HydrophobicContact CB-CB 4.47Å; P239-E325 HydrophobicContact CB-CG 4.15Å; P239-E325 HydrophobicContact CG-CB 4.25Å; P239-E325 HydrophobicContact CG-CG 4.43Å
240	G	66.6	Low	71.4	Confident	64 Å²	64	47.6 Å²	47.6	66%	0.66	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-56.3	-30.2	-179.3	0	0	0	0	0	114.1	L242 R243	G240-L242 PolarHBondContact O-N 3.49Å; G240-R243 PolarHBondContact O-N 3Å
241	L	66.6	Low	71.2	Confident	84 Å²	84	48.7 Å²	48.7	44%	0.44	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-65.3	-22.2	175.1	-86.7	134.2	0	0	0	114.1	P239 L429 L433	P239-L241 PolarHBondContact O-N 3.11Å; P239-L241 VanDerWaalsContact O-N 3.11Å; L241-L429 HydrophobicContact CD2-CD1 3.71Å; L241-L433 HydrophobicContact CD2-CD2 4.43Å
242	L	62.1	Low	71	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-99.4	-8	178.1	-62.5	179.5	0	0	0	112.7	L214 L215 P238 P239 G240	L214-L242 HydrophobicContact CD2-CD1 3.87Å; L214-L242 HydrophobicContact CG-CD1 4.29Å; L215-L242 HydrophobicContact CB-CD2 4.14Å; L215-L242 HydrophobicContact CD1-CD2 3.82Å; P238-L242 HydrophobicContact CB-CB 4.29Å; P239-L242 HydrophobicContact CG-CB 4.32Å; P239-L242 HydrophobicContact CG-CD1 3.66Å; P239-L242 HydrophobicContact CG-CG 3.85Å; P239-L242 PolarHBondContact O-N 2.87Å; G240-L242 PolarHBondContact O-N 3.49Å
243	R	57.8	Low	70.8	Confident	168 Å²	168	55.2 Å²	55.2	63%	0.634	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	126.1	-178.8	-75	-174.5	-178.8	-170.1	-2.9	111.5	P238 P239 G240	P238-R243 HydrophobicContact CG-CG 4.41Å; P239-R243 PolarHBondContact O-N 3.39Å; G240-R243 PolarHBondContact O-N 3Å
244	G	52.3	Low	70.7	Confident	85 Å²	85	55.9 Å²	55.9	88%	0.876	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.3	24	170.2	0	0	0	0	0	116.4
245	G	53	Low	70.5	Confident	18 Å²	18	61 Å²	61	19%	0.186	36%	0.359	C	S	.	.			trans	-116	36.7	-171.2	0	0	0	0	0	117.3	S247	G245-S247 PolarHBondContact O-N 3.47Å
246	D	50.7	Low	70.3	Confident	140 Å²	140	61.5 Å²	61.5	75%	0.749	36%	0.361	S	S	*	.			trans	-78.3	80.6	170.8	-79.7	-19.7	0	0	0	110.3
247	S	53.1	Low	69.8	Low	99 Å²	99	64.9 Å²	64.9	69%	0.692	39%	0.39	S	S	*	.			trans	-160	11.2	175.4	54.4	0	0	0	0	118.3	G245	G245-S247 PolarHBondContact O-N 3.47Å
248	S	62.2	Low	69.6	Low	16 Å²	16	61.6 Å²	61.6	11%	0.112	38%	0.382	C	S	.	.	S	Bend	trans	-107.4	125.3	172.1	53.8	0	0	0	0	111.5	G250 L251	S248-G250 PolarHBondContact O-N 2.86Å; S248-L251 PolarHBondContact O-N 2.89Å; S248-L251 WeakPolarHBondContact OG-CB 3.25Å
249	P	61.9	Low	69.6	Low	138 Å²	138	65.5 Å²	65.5	90%	0.896	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	113.4	178.7	24.6	-31.6	0	0	0	110
250	G	74.6	Confident	69.7	Low	23 Å²	23	73 Å²	73	24%	0.237	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.3	-5.9	177.3	0	0	0	0	0	116.6	A230 T231 S248	A230-G250 CarbonylContact C-O 3.54Å; A230-G250 VanDerWaalsContact CA-O 3.23Å; A230-G250 WeakPolarHBondContact CA-O 3.41Å; T231-G250 PolarHBondContact N-O 3.49Å; S248-G250 PolarHBondContact O-N 2.86Å
251	L	85.6	Confident	69.9	Low	27 Å²	27	73.5 Å²	73.5	14%	0.141	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.8	168.2	-171	77.1	0	0	0	109	L214 R217 Q218 T231 S248	L214-L251 HydrophobicContact CD1-CD1 4.25Å; R217-L251 HydrophobicContact CB-CD1 4.18Å; Q218-L251 HydrophobicContact CB-CD2 3.78Å; Q218-L251 HydrophobicContact CG-CD2 3.92Å; T231-L251 HydrophobicContact CG2-CD1 4.03Å; T231-L251 CarbonylContact O-C 3.6Å; T231-L251 WeakPolarHBondContact O-CA 3.42Å; S248-L251 PolarHBondContact O-N 2.89Å; S248-L251 WeakPolarHBondContact OG-CB 3.25Å
252	R	87	Confident	70.4	Confident	99 Å²	99	71.1 Å²	71.1	37%	0.374	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.2	176.8	-170.3	171.9	-166.6	-158.7	-4.2	110.2	T231 L232 A233 E269	T231-R252 PolarHBondContact O-N 3.05Å; L232-R252 CarbonylContact C-O 3.6Å; L232-R252 WeakPolarHBondContact CA-O 3.35Å; L232-R252 HydrophobicContact CD1-CB 3.88Å; L232-R252 HydrophobicContact CD1-CG 3.87Å; A233-R252 PolarHBondContact N-O 2.75Å; R252-E269 IonicContact CZ-OE1 3.76Å; R252-E269 VanDerWaalsContact CZ-OE1 3.28Å; R252-E269 IonicContact CZ-OE2 2.99Å; R252-E269 IonicContact NE-OE2 2.8Å; R252-E269 PolarHBondContact NE-OE2 3.43Å; R252-E269 IonicContact NH1-OE1 2.74Å; R252-E269 IonicContact NH1-OE2 3.01Å; R252-E269 PolarHBondContact NH1-OE2 3.24Å; R252-E269 IonicContact NH2-OE1 3.81Å; R252-E269 PolarHBondContact NH2-OE1 3.19Å; R252-E269 IonicContact NH2-OE2 3.64Å; R252-E269 PolarHBondContact NH2-OE2 3.27Å
253	L	87.6	Confident	71.4	Confident	38 Å²	38	77.5 Å²	77.5	20%	0.199	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.4	178.8	-175.6	64.8	0	0	0	110.1	L214 A233 T235	L214-L253 HydrophobicContact CD2-CD1 3.89Å; A233-L253 HydrophobicContact CB-CD1 3.95Å; T235-L253 WeakPolarHBondContact OG1-CD1 3.46Å
254	V	87.9	Confident	72.7	Confident	14 Å²	14	74 Å²	74	9%	0.085	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	111.6	175.6	-176.6	0	0	0	0	108	L232 A233 F234 T235 L256 L265 E269	L232-V254 HydrophobicContact CD1-CG2 3.8Å; A233-V254 PolarHBondContact O-N 2.99Å; F234-V254 WeakPolarHBondContact CA-O 3.26Å; F234-V254 HydrophobicContact CD1-CB 3.72Å; F234-V254 HydrophobicContact CD1-CG1 3.79Å; F234-V254 HydrophobicContact CD1-CG2 4.27Å; F234-V254 HydrophobicContact CE1-CB 4Å; F234-V254 HydrophobicContact CE1-CG1 3.94Å; F234-V254 HydrophobicContact CE1-CG2 4.09Å; T235-V254 PolarHBondContact N-O 3.3Å; V254-L256 HydrophobicContact CG1-CD2 4.41Å; V254-L265 HydrophobicContact CG1-CD2 4Å; V254-L265 HydrophobicContact CG1-CG 4.4Å; V254-E269 HydrophobicContact CG1-CG 4.39Å; V254-E269 HydrophobicContact CG2-CB 4.31Å; V254-E269 HydrophobicContact CG2-CG 3.9Å; V254-E269 VanDerWaalsContact CG2-OE2 3.31Å; V254-E269 WeakPolarHBondContact CG2-OE2 3.32Å
255	E	86.9	Confident	74.5	Confident	109 Å²	109	72.6 Å²	72.6	51%	0.509	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.2	177.2	-57.8	-166.2	168.8	0	0	110.8	P238	P238-E255 HydrophobicContact CG-CG 3.87Å; P238-E255 WeakPolarHBondContact CG-OE1 3.32Å
256	L	83.7	Confident	76.2	Confident	9 Å²	9	71.7 Å²	71.7	5%	0.047	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.4	177.5	-61.3	179.7	0	0	0	110.7	F234 T235 V254 G258 Q262 L265 L319	F234-L256 HydrophobicContact CB-CD1 4.05Å; F234-L256 HydrophobicContact CB-CG 4.48Å; F234-L256 HydrophobicContact CD1-CD2 4.31Å; T235-L256 PolarHBondContact O-N 3.19Å; V254-L256 HydrophobicContact CG1-CD2 4.41Å; L256-G258 VanDerWaalsContact C-N 3.35Å; L256-Q262 HydrophobicContact CD2-CB 4.47Å; L256-Q262 HydrophobicContact CD2-CG 4.14Å; L256-L265 HydrophobicContact CD2-CD2 4.07Å; L256-L319 HydrophobicContact CD1-CD1 4.23Å; L256-L319 HydrophobicContact CD1-CD2 3.53Å
257	S	72.3	Confident	78.1	Confident	110 Å²	110	70.5 Å²	70.5	77%	0.769	40%	0.402	S	S	*	.	S	Bend	trans	-77.2	-20.4	174.6	56.8	0	0	0	0	113.2
258	G	73.2	Confident	79.9	Confident	22 Å²	22	71.3 Å²	71.3	23%	0.227	40%	0.395	C	S	.	.			trans	-162.7	162.9	178.5	0	0	0	0	0	111.5	L256 Q262	L256-G258 VanDerWaalsContact C-N 3.35Å; G258-Q262 WeakPolarHBondContact O-CG 3.49Å
259	K	68.5	Low	81.3	Confident	90 Å²	90	71.8 Å²	71.8	39%	0.391	40%	0.395	S	S	.	.	S	Bend	trans	-84.3	-27.2	-176.9	-62.9	-179.1	179.9	178.9	0	114.1	Y236 L322	Y236-K259 HydrophobicContact CD2-CG 4.27Å; Y236-K259 HydrophobicContact CE2-CG 4.15Å; K259-L322 WeakPolarHBondContact CE-O 3.4Å; K259-L322 PolarHBondContact NZ-O 2.72Å
260	E	70.1	Confident	82.7	Confident	177 Å²	177	65.2 Å²	65.2	83%	0.827	35%	0.353	S	S	*	.	S	Bend	trans	-96.2	150.8	-175.7	-65.3	177.6	-174.8	0	0	111.8	Q262	E260-Q262 VanDerWaalsContact C-N 3.33Å; E260-Q262 PolarHBondContact O-N 2.84Å
261	G	70.6	Confident	83.5	Confident	75 Å²	75	66.6 Å²	66.6	77%	0.773	35%	0.353	S	S	*	.	S	Bend	trans	75.1	13.5	173.8	0	0	0	0	0	115.8
262	Q	76.8	Confident	83.8	Confident	35 Å²	35	67.5 Å²	67.5	16%	0.164	36%	0.364	C	S	.	.			trans	-92.2	7.8	-177.2	-58.6	-63.9	-22.5	0	0	113.9	L256 G258 E260 T264 L265 V266	L256-Q262 HydrophobicContact CD2-CB 4.47Å; L256-Q262 HydrophobicContact CD2-CG 4.14Å; G258-Q262 WeakPolarHBondContact O-CG 3.49Å; E260-Q262 VanDerWaalsContact C-N 3.33Å; E260-Q262 PolarHBondContact O-N 2.84Å; Q262-T264 PolarHBondContact O-N 2.84Å; Q262-L265 PolarHBondContact O-N 3.27Å; Q262-L265 VanDerWaalsContact OE1-CD2 3.24Å; Q262-V266 HydrophobicContact CB-CG2 4.34Å; Q262-V266 WeakPolarHBondContact O-CG2 3.28Å; Q262-V266 PolarHBondContact O-N 3.4Å
263	E	83.8	Confident	83.9	Confident	135 Å²	135	63.1 Å²	63.1	63%	0.631	35%	0.348	S	S	*	.	H	α-helix	trans	-57.3	-45.9	-172.8	-65	175.8	-179.7	0	0	113.2	K267 L316	E263-K267 WeakPolarHBondContact O-CB 3.42Å; E263-K267 PolarHBondContact O-N 2.87Å; E263-L316 HydrophobicContact CG-CD1 4.15Å; E263-L316 HydrophobicContact CG-CD2 4.16Å
264	T	85.8	Confident	84	Confident	94 Å²	94	61.9 Å²	61.9	58%	0.577	34%	0.341	S	S	*	.	H	α-helix	trans	-64.1	-44.6	178.9	-47.5	0	0	0	0	111.1	Q262 K267 E268	Q262-T264 PolarHBondContact O-N 2.84Å; T264-K267 PolarHBondContact O-N 3.04Å; T264-E268 WeakPolarHBondContact O-CG 3.11Å; T264-E268 PolarHBondContact O-N 3.35Å
265	L	88.7	Confident	83.9	Confident	56 Å²	56	69.8 Å²	69.8	29%	0.293	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-50.5	178.4	178.6	67.9	0	0	0	111	V254 L256 Q262 K267 E268 E269	V254-L265 HydrophobicContact CG1-CD2 4Å; V254-L265 HydrophobicContact CG1-CG 4.4Å; L256-L265 HydrophobicContact CD2-CD2 4.07Å; Q262-L265 PolarHBondContact O-N 3.27Å; Q262-L265 VanDerWaalsContact OE1-CD2 3.24Å; L265-K267 VanDerWaalsContact C-N 3.27Å; L265-K267 PolarHBondContact O-N 3.42Å; L265-E268 PolarHBondContact O-N 3.1Å; L265-E269 HydrophobicContact CD1-CG 3.92Å; L265-E269 HydrophobicContact CG-CG 4.25Å; L265-E269 VanDerWaalsContact O-CB 3.29Å; L265-E269 WeakPolarHBondContact O-CB 3.26Å; L265-E269 VanDerWaalsContact O-CG 3.23Å; L265-E269 WeakPolarHBondContact O-CG 3.21Å; L265-E269 PolarHBondContact O-N 3.17Å
266	V	88.9	Confident	83.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-57.7	-43.5	178.8	172	0	0	0	0	110.4	F234 Q262 V270 V312 V315 L316 L319	F234-V266 HydrophobicContact CD1-CG2 4.22Å; F234-V266 HydrophobicContact CE1-CB 4.32Å; F234-V266 HydrophobicContact CE1-CG2 3.92Å; F234-V266 HydrophobicContact CE2-CG1 4.4Å; F234-V266 HydrophobicContact CZ-CB 4.29Å; F234-V266 HydrophobicContact CZ-CG1 4.08Å; F234-V266 HydrophobicContact CZ-CG2 4.27Å; Q262-V266 HydrophobicContact CB-CG2 4.34Å; Q262-V266 WeakPolarHBondContact O-CG2 3.28Å; Q262-V266 PolarHBondContact O-N 3.4Å; V266-V270 HydrophobicContact CG1-CG2 4.16Å; V266-V270 VanDerWaalsContact O-CB 3.3Å; V266-V270 WeakPolarHBondContact O-CB 3.44Å; V266-V270 WeakPolarHBondContact O-CG2 3.25Å; V266-V270 PolarHBondContact O-N 2.83Å; V266-V312 HydrophobicContact CG1-CG1 4.3Å; V266-V315 HydrophobicContact CG1-CB 4.11Å; V266-V315 HydrophobicContact CG1-CG1 3.61Å; V266-L316 HydrophobicContact CB-CD2 4.18Å; V266-L316 HydrophobicContact CG1-CD2 4.29Å; V266-L316 HydrophobicContact CG1-CG 4.37Å; V266-L316 HydrophobicContact CG2-CD2 4.06Å; V266-L319 HydrophobicContact CG2-CD1 3.67Å
267	K	91	Very high	83.9	Confident	114 Å²	114	74.9 Å²	74.9	50%	0.496	40%	0.397	S	S	.	.	H	α-helix	trans	-62.7	-48.8	178.8	-174.7	-178.6	176.9	-175.3	0	112.2	E263 T264 L265 E271 V312	E263-K267 WeakPolarHBondContact O-CB 3.42Å; E263-K267 PolarHBondContact O-N 2.87Å; T264-K267 PolarHBondContact O-N 3.04Å; L265-K267 VanDerWaalsContact C-N 3.27Å; L265-K267 PolarHBondContact O-N 3.42Å; K267-E271 WeakPolarHBondContact O-CB 3.36Å; K267-E271 PolarHBondContact O-N 2.88Å; K267-V312 HydrophobicContact CB-CG1 4.47Å
268	E	91.3	Very high	84.3	Confident	116 Å²	116	71.8 Å²	71.8	54%	0.542	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-44.2	179.5	-73.7	175.5	176.7	0	0	111.7	T264 L265 E271 A272	T264-E268 WeakPolarHBondContact O-CG 3.11Å; T264-E268 PolarHBondContact O-N 3.35Å; L265-E268 PolarHBondContact O-N 3.1Å; E268-E271 PolarHBondContact O-N 3.34Å; E268-A272 VanDerWaalsContact O-CB 3.27Å; E268-A272 WeakPolarHBondContact O-CB 3.29Å; E268-A272 PolarHBondContact O-N 3.28Å
269	E	91.9	Very high	84.6	Confident	26 Å²	26	70.9 Å²	70.9	12%	0.121	37%	0.368	C	S	.	.	H	α-helix	trans	-67.8	-44	-178.9	-72.7	-63.2	128.1	0	0	112.5	L232 F234 R252 V254 L265 F273	L232-E269 HydrophobicContact CD2-CB 4.4Å; F234-E269 HydrophobicContact CE1-CB 3.87Å; F234-E269 HydrophobicContact CE1-CG 4.32Å; F234-E269 HydrophobicContact CZ-CB 3.73Å; R252-E269 IonicContact CZ-OE1 3.76Å; R252-E269 VanDerWaalsContact CZ-OE1 3.28Å; R252-E269 IonicContact CZ-OE2 2.99Å; R252-E269 IonicContact NE-OE2 2.8Å; R252-E269 PolarHBondContact NE-OE2 3.43Å; R252-E269 IonicContact NH1-OE1 2.74Å; R252-E269 IonicContact NH1-OE2 3.01Å; R252-E269 PolarHBondContact NH1-OE2 3.24Å; R252-E269 IonicContact NH2-OE1 3.81Å; R252-E269 PolarHBondContact NH2-OE1 3.19Å; R252-E269 IonicContact NH2-OE2 3.64Å; R252-E269 PolarHBondContact NH2-OE2 3.27Å; V254-E269 HydrophobicContact CG1-CG 4.39Å; V254-E269 HydrophobicContact CG2-CB 4.31Å; V254-E269 HydrophobicContact CG2-CG 3.9Å; V254-E269 VanDerWaalsContact CG2-OE2 3.31Å; V254-E269 WeakPolarHBondContact CG2-OE2 3.32Å; L265-E269 HydrophobicContact CD1-CG 3.92Å; L265-E269 HydrophobicContact CG-CG 4.25Å; L265-E269 VanDerWaalsContact O-CB 3.29Å; L265-E269 WeakPolarHBondContact O-CB 3.26Å; L265-E269 VanDerWaalsContact O-CG 3.23Å; L265-E269 WeakPolarHBondContact O-CG 3.21Å; L265-E269 PolarHBondContact O-N 3.17Å; E269-F273 WeakPolarHBondContact O-CB 3.21Å; E269-F273 PolarHBondContact O-N 3.13Å
270	V	91.4	Very high	85.1	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65.2	-44.4	174.6	173.7	0	0	0	0	110.4	L232 F234 V266 A272 F273 L274 L308 V311 V312	L232-V270 HydrophobicContact CD2-CB 4.49Å; L232-V270 HydrophobicContact CD2-CG2 3.96Å; F234-V270 HydrophobicContact CE2-CG2 3.91Å; F234-V270 HydrophobicContact CZ-CG2 3.97Å; V266-V270 HydrophobicContact CG1-CG2 4.16Å; V266-V270 VanDerWaalsContact O-CB 3.3Å; V266-V270 WeakPolarHBondContact O-CB 3.44Å; V266-V270 WeakPolarHBondContact O-CG2 3.25Å; V266-V270 PolarHBondContact O-N 2.83Å; V270-A272 PolarHBondContact O-N 3.3Å; V270-F273 PolarHBondContact O-N 3.12Å; V270-L274 HydrophobicContact CG1-CD1 3.85Å; V270-L274 HydrophobicContact CG1-CG 4.07Å; V270-L274 WeakPolarHBondContact O-CB 3.23Å; V270-L274 VanDerWaalsContact O-CG 3.27Å; V270-L274 WeakPolarHBondContact O-CG 3.46Å; V270-L274 PolarHBondContact O-N 2.95Å; V270-L308 HydrophobicContact CB-CD1 4.35Å; V270-L308 HydrophobicContact CG1-CD1 3.73Å; V270-V311 HydrophobicContact CG1-CB 4.17Å; V270-V311 HydrophobicContact CG1-CG1 3.64Å; V270-V312 HydrophobicContact CB-CG2 4.02Å; V270-V312 HydrophobicContact CG1-CG2 4Å; V270-V312 HydrophobicContact CG2-CG2 4.36Å
271	E	91.7	Very high	85.3	Confident	52 Å²	52	67.8 Å²	67.8	24%	0.243	37%	0.372	C	S	.	.	H	α-helix	trans	-61.6	-43.9	178.6	-176.2	172.5	-174.5	0	0	111.8	K267 E268 R275 L308	K267-E271 WeakPolarHBondContact O-CB 3.36Å; K267-E271 PolarHBondContact O-N 2.88Å; E268-E271 PolarHBondContact O-N 3.34Å; E271-R275 WeakPolarHBondContact O-CG 3.36Å; E271-R275 PolarHBondContact O-N 2.89Å; E271-R275 VanDerWaalsContact O-N 3.16Å; E271-R275 IonicContact OE1-CZ 2.99Å; E271-R275 IonicContact OE1-NH1 3.48Å; E271-R275 PolarHBondContact OE1-NH1 2.91Å; E271-R275 IonicContact OE1-NH2 3.26Å; E271-R275 PolarHBondContact OE1-NH2 2.89Å; E271-L308 HydrophobicContact CB-CD1 3.99Å; E271-L308 HydrophobicContact CB-CD2 4.04Å; E271-L308 HydrophobicContact CG-CD2 4.02Å
272	A	90	Very high	85.7	Confident	46 Å²	46	65 Å²	65	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-62.3	-43.8	175	0	0	0	0	0	111.8	E268 V270 R275 S276	E268-A272 VanDerWaalsContact O-CB 3.27Å; E268-A272 WeakPolarHBondContact O-CB 3.29Å; E268-A272 PolarHBondContact O-N 3.28Å; V270-A272 PolarHBondContact O-N 3.3Å; A272-R275 PolarHBondContact O-N 2.98Å; A272-S276 PolarHBondContact O-N 3.46Å; A272-S276 VanDerWaalsContact O-N 3.11Å
273	F	90.1	Very high	85.9	Confident	7 Å²	7	70.1 Å²	70.1	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-64.6	-46.8	177.7	177.7	-107.7	0	0	0	112.2	A230 L232 E269 V270 R275 S276 L279 V330	A230-F273 HydrophobicContact CB-CE2 4.2Å; A230-F273 HydrophobicContact CB-CZ 4.23Å; L232-F273 HydrophobicContact CB-CB 4.11Å; L232-F273 HydrophobicContact CB-CD1 3.88Å; L232-F273 HydrophobicContact CB-CD2 3.76Å; L232-F273 HydrophobicContact CB-CE1 4.21Å; L232-F273 HydrophobicContact CB-CE2 4.09Å; L232-F273 HydrophobicContact CB-CG 3.64Å; L232-F273 HydrophobicContact CB-CZ 4.3Å; L232-F273 HydrophobicContact CD2-CB 3.78Å; L232-F273 HydrophobicContact CD2-CD1 4.41Å; L232-F273 HydrophobicContact CD2-CG 4.16Å; L232-F273 HydrophobicContact CG-CB 4.42Å; L232-F273 HydrophobicContact CG-CG 4.46Å; E269-F273 WeakPolarHBondContact O-CB 3.21Å; E269-F273 PolarHBondContact O-N 3.13Å; V270-F273 PolarHBondContact O-N 3.12Å; F273-R275 PolarHBondContact O-N 3.16Å; F273-S276 VanDerWaalsContact O-CB 3.24Å; F273-S276 WeakPolarHBondContact O-CB 3.44Å; F273-S276 PolarHBondContact O-N 2.83Å; F273-S276 PolarHBondContact O-OG 2.85Å; F273-L279 HydrophobicContact CD1-CD1 4.27Å; F273-L279 HydrophobicContact CE1-CD1 4.15Å; F273-L279 HydrophobicContact CE1-CD2 4.01Å; F273-L279 HydrophobicContact CE1-CG 4.35Å; F273-L279 HydrophobicContact CZ-CD2 3.9Å; F273-L279 HydrophobicContact CZ-CG 4.24Å; F273-L279 WeakPolarHBondContact O-CD1 3.16Å; F273-V330 HydrophobicContact CD1-CG1 4.18Å; F273-V330 HydrophobicContact CE1-CB 4.41Å; F273-V330 HydrophobicContact CE1-CG1 4.04Å; F273-V330 WeakPolarHBondContact CE1-O 3.3Å; F273-V330 WeakPolarHBondContact CZ-O 3.21Å
274	L	88.8	Confident	85.9	Confident	12 Å²	12	67.9 Å²	67.9	6%	0.063	36%	0.357	C	S	.	.	H	α-helix	trans	-62.6	-23.7	178.3	-67.3	-178.2	0	0	0	112.9	V270 L279 V285 R305 L308 V311	V270-L274 HydrophobicContact CG1-CD1 3.85Å; V270-L274 HydrophobicContact CG1-CG 4.07Å; V270-L274 WeakPolarHBondContact O-CB 3.23Å; V270-L274 VanDerWaalsContact O-CG 3.27Å; V270-L274 WeakPolarHBondContact O-CG 3.46Å; V270-L274 PolarHBondContact O-N 2.95Å; L274-L279 HydrophobicContact CD2-CD1 4.27Å; L274-V285 HydrophobicContact CD2-CB 4.45Å; L274-V285 HydrophobicContact CD2-CG1 3.66Å; L274-V285 HydrophobicContact CD2-CG2 4.03Å; L274-R305 HydrophobicContact CD2-CG 4.28Å; L274-R305 PolarHBondContact O-NE 3.22Å; L274-R305 PolarHBondContact O-NH2 3.25Å; L274-L308 HydrophobicContact CD1-CB 4.48Å; L274-L308 HydrophobicContact CD1-CD1 3.82Å; L274-V311 HydrophobicContact CD1-CG2 4.42Å
275	R	87.6	Confident	86.1	Confident	181 Å²	181	63.4 Å²	63.4	68%	0.683	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.9	173.9	-69	-178.5	-179.5	150.3	5.3	114.1	E271 A272 F273	E271-R275 WeakPolarHBondContact O-CG 3.36Å; E271-R275 PolarHBondContact O-N 2.89Å; E271-R275 VanDerWaalsContact O-N 3.16Å; E271-R275 IonicContact OE1-CZ 2.99Å; E271-R275 IonicContact OE1-NH1 3.48Å; E271-R275 PolarHBondContact OE1-NH1 2.91Å; E271-R275 IonicContact OE1-NH2 3.26Å; E271-R275 PolarHBondContact OE1-NH2 2.89Å; A272-R275 PolarHBondContact O-N 2.98Å; F273-R275 PolarHBondContact O-N 3.16Å
276	S	86.7	Confident	86.1	Confident	32 Å²	32	60.8 Å²	60.8	22%	0.224	32%	0.315	C	S	.	.	S	Bend	trans	-67.7	148.2	-176.3	73.9	0	0	0	0	112.5	A272 F273 A278 L279	A272-S276 PolarHBondContact O-N 3.46Å; A272-S276 VanDerWaalsContact O-N 3.11Å; F273-S276 VanDerWaalsContact O-CB 3.24Å; F273-S276 WeakPolarHBondContact O-CB 3.44Å; F273-S276 PolarHBondContact O-N 2.83Å; F273-S276 PolarHBondContact O-OG 2.85Å; S276-A278 PolarHBondContact O-N 3.43Å; S276-L279 PolarHBondContact O-N 3.04Å
277	E	83.1	Confident	86.1	Confident	192 Å²	192	60.8 Å²	60.8	90%	0.897	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-65.7	-21.2	172.6	-64.1	-174.1	169.5	0	0	112.2	L279 G280	E277-L279 PolarHBondContact O-N 2.81Å; E277-G280 PolarHBondContact O-N 3.33Å
278	A	80	Confident	85.9	Confident	45 Å²	45	56.8 Å²	56.8	37%	0.372	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-62.5	-25.3	178.5	0	0	0	0	0	113.5	A230 S276 G280	A230-A278 HydrophobicContact CB-CB 4.09Å; A230-A278 WeakPolarHBondContact CB-O 3.29Å; S276-A278 PolarHBondContact O-N 3.43Å; A278-G280 VanDerWaalsContact C-N 3.34Å
279	L	79.4	Confident	85.7	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.016	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-78.3	-16.3	174.3	-75.5	170.1	0	0	0	113.2	A230 F273 L274 S276 E277 D281 V282 V285 A332	A230-L279 HydrophobicContact CB-CD2 4.41Å; F273-L279 HydrophobicContact CD1-CD1 4.27Å; F273-L279 HydrophobicContact CE1-CD1 4.15Å; F273-L279 HydrophobicContact CE1-CD2 4.01Å; F273-L279 HydrophobicContact CE1-CG 4.35Å; F273-L279 HydrophobicContact CZ-CD2 3.9Å; F273-L279 HydrophobicContact CZ-CG 4.24Å; F273-L279 WeakPolarHBondContact O-CD1 3.16Å; L274-L279 HydrophobicContact CD2-CD1 4.27Å; S276-L279 PolarHBondContact O-N 3.04Å; E277-L279 PolarHBondContact O-N 2.81Å; L279-D281 PolarHBondContact O-N 3.07Å; L279-V282 WeakPolarHBondContact O-CB 3.21Å; L279-V282 WeakPolarHBondContact O-CG2 3.38Å; L279-V282 PolarHBondContact O-N 2.81Å; L279-V285 HydrophobicContact CD2-CG1 4.29Å; L279-A332 HydrophobicContact CD2-CB 3.61Å
280	G	78.7	Confident	85.4	Confident	43 Å²	43	50.6 Å²	50.6	44%	0.443	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	-128.3	-176.7	0	0	0	0	0	112.7	E277 A278 V282 R305	E277-G280 PolarHBondContact O-N 3.33Å; A278-G280 VanDerWaalsContact C-N 3.34Å; G280-V282 VanDerWaalsContact C-N 3.3Å; G280-V282 PolarHBondContact O-N 3.47Å; G280-R305 PolarHBondContact O-NH1 3.46Å
281	D	74.7	Confident	84.6	Confident	160 Å²	160	50.8 Å²	50.8	86%	0.856	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	9.6	-179.8	-59.6	-37.9	0	0	0	114.2	L279 L283	L279-D281 PolarHBondContact O-N 3.07Å; D281-L283 PolarHBondContact O-N 2.98Å
282	V	79.1	Confident	83.5	Confident	15 Å²	15	54.9 Å²	54.9	9%	0.091	29%	0.285	C	S	.	.			trans	-64.1	126.9	-179.9	172.4	0	0	0	0	110.5	L279 G280 Q284 R305 A332 V333 Y334	L279-V282 WeakPolarHBondContact O-CB 3.21Å; L279-V282 WeakPolarHBondContact O-CG2 3.38Å; L279-V282 PolarHBondContact O-N 2.81Å; G280-V282 VanDerWaalsContact C-N 3.3Å; G280-V282 PolarHBondContact O-N 3.47Å; V282-Q284 WeakPolarHBondContact CG1-O 3.33Å; V282-R305 WeakPolarHBondContact O-CD 3.19Å; V282-R305 PolarHBondContact O-NH1 3.35Å; V282-A332 HydrophobicContact CG1-CB 4.23Å; V282-A332 HydrophobicContact CG2-CB 4.17Å; V282-V333 WeakPolarHBondContact CG1-O 3.44Å; V282-Y334 HydrophobicContact CG2-CE1 4.45Å
283	L	80.6	Confident	82.5	Confident	143 Å²	143	57.1 Å²	57.1	75%	0.749	28%	0.284	S	S	*	.			trans	-95.9	-16.3	-178.1	-62.6	176.7	0	0	0	113.8	D281 R305	D281-L283 PolarHBondContact O-N 2.98Å; L283-R305 WeakPolarHBondContact O-CB 3.35Å; L283-R305 PolarHBondContact O-N 3.47Å
284	Q	85.4	Confident	81.5	Confident	88 Å²	88	59 Å²	59	41%	0.411	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.6	-176	-67.4	-173.8	-3.8	0	0	111.7	V282 H303 V333	V282-Q284 WeakPolarHBondContact CG1-O 3.33Å; Q284-H303 WeakPolarHBondContact CA-O 3.28Å; Q284-V333 HydrophobicContact CB-CB 4.18Å; Q284-V333 HydrophobicContact CB-CG2 4.4Å; Q284-V333 WeakPolarHBondContact O-CB 3.4Å; Q284-V333 PolarHBondContact O-N 2.86Å; Q284-V333 VanDerWaalsContact O-N 3.09Å
285	V	88.8	Confident	80.1	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150	172.4	-65	0	0	0	0	110.4	L274 L279 H303 V311 V330 E331	L274-V285 HydrophobicContact CD2-CB 4.45Å; L274-V285 HydrophobicContact CD2-CG1 3.66Å; L274-V285 HydrophobicContact CD2-CG2 4.03Å; L279-V285 HydrophobicContact CD2-CG1 4.29Å; V285-H303 HydrophobicContact CG2-CB 4.32Å; V285-H303 PolarHBondContact N-O 3.48Å; V285-H303 PolarHBondContact O-N 3.37Å; V285-V311 HydrophobicContact CG2-CG1 4.3Å; V285-V311 HydrophobicContact CG2-CG2 3.7Å; V285-V330 HydrophobicContact CB-CG1 4.04Å; V285-V330 HydrophobicContact CG2-CG1 4.12Å; V285-E331 CarbonylContact C-O 3.53Å; V285-E331 VanDerWaalsContact CA-O 3.29Å; V285-E331 WeakPolarHBondContact CA-O 3.47Å
286	A	88.3	Confident	78.5	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.008	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.7	176.1	0	0	0	0	0	109.8	K288 L300 H301 L302 V330 E331 V333	A286-K288 HydrophobicContact CB-CD 4.41Å; A286-K288 HydrophobicContact CB-CG 4.26Å; A286-L300 HydrophobicContact CB-CD1 3.62Å; A286-H301 CarbonylContact C-O 3.36Å; A286-H301 WeakPolarHBondContact CA-O 3.41Å; A286-L302 HydrophobicContact CB-CD2 4.02Å; A286-V330 WeakPolarHBondContact O-CA 3.17Å; A286-E331 PolarHBondContact N-O 3.39Å; A286-E331 PolarHBondContact O-N 3.3Å; A286-V333 HydrophobicContact CB-CG2 3.59Å
287	V	89.4	Confident	76.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.9	170.8	-168.8	0	0	0	0	108.9	H301 V311 T314 V315 L318 V328 L329 V330	V287-H301 HydrophobicContact CB-CB 4.37Å; V287-H301 PolarHBondContact N-O 3.41Å; V287-H301 PolarHBondContact O-N 3.42Å; V287-H301 VanDerWaalsContact O-N 3.17Å; V287-V311 HydrophobicContact CG2-CG1 3.98Å; V287-T314 HydrophobicContact CB-CG2 3.88Å; V287-T314 HydrophobicContact CG1-CG2 3.96Å; V287-T314 HydrophobicContact CG2-CG2 4.33Å; V287-V315 HydrophobicContact CG1-CG2 3.71Å; V287-V315 HydrophobicContact CG2-CG2 4.24Å; V287-L318 HydrophobicContact CG1-CD1 3.76Å; V287-V328 HydrophobicContact CG1-CG1 3.74Å; V287-L329 CarbonylContact C-O 3.11Å; V287-L329 VanDerWaalsContact CA-O 3.28Å; V287-L329 WeakPolarHBondContact CA-O 3.4Å; V287-V330 HydrophobicContact CG2-CG2 4.32Å
288	K	87.9	Confident	75.7	Confident	30 Å²	30	60.9 Å²	60.9	13%	0.13	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	158	-172.9	-48.2	-178.5	-154.9	162.9	0	111	A286 L300 L329 E331	A286-K288 HydrophobicContact CB-CD 4.41Å; A286-K288 HydrophobicContact CB-CG 4.26Å; K288-L300 HydrophobicContact CD-CD1 3.61Å; K288-L300 HydrophobicContact CG-CD1 3.6Å; K288-L329 PolarHBondContact N-O 3.36Å; K288-L329 PolarHBondContact O-N 3.19Å; K288-E331 WeakPolarHBondContact CE-OE2 3.44Å; K288-E331 IonicContact NZ-OE2 3.78Å; K288-E331 PolarHBondContact NZ-OE2 3.48Å
289	L	86.9	Confident	74.7	Confident	12 Å²	12	61.6 Å²	61.6	6%	0.063	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	141.6	169.4	-69.3	163.9	0	0	0	110.5	W294 Q298 L318 L322 S327 V328	L289-W294 HydrophobicContact CB-CB 4.31Å; L289-W294 HydrophobicContact CB-CD2 4.03Å; L289-W294 HydrophobicContact CB-CG 3.8Å; L289-W294 HydrophobicContact CD1-CD2 3.62Å; L289-W294 HydrophobicContact CD1-CE3 3.63Å; L289-W294 HydrophobicContact CD1-CG 4.31Å; L289-W294 HydrophobicContact CD1-CH2 3.84Å; L289-W294 HydrophobicContact CD1-CZ2 3.83Å; L289-W294 HydrophobicContact CD1-CZ3 3.74Å; L289-W294 HydrophobicContact CG-CD2 4.38Å; L289-Q298 PolarHBondContact O-NE2 3.08Å; L289-Q298 VanDerWaalsContact O-NE2 3.1Å; L289-L318 HydrophobicContact CD1-CD2 4.06Å; L289-L318 HydrophobicContact CD2-CB 4.11Å; L289-L318 HydrophobicContact CG-CD2 4.29Å; L289-L322 HydrophobicContact CD2-CD2 3.48Å; L289-L322 VanDerWaalsContact CD2-CD2 3.48Å; L289-L322 HydrophobicContact CD2-CG 4.45Å; L289-S327 CarbonylContact C-O 3.59Å; L289-V328 HydrophobicContact CD2-CG2 3.82Å
290	S	84.3	Confident	74.3	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.007	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.6	170.4	-159.4	0	0	0	0	109.9	D212 R213 L214 S327	D212-S290 PolarHBondContact OD1-OG 3.43Å; R213-S290 PolarHBondContact N-OG 2.76Å; L214-S290 PolarHBondContact N-OG 3.25Å; L214-S290 VanDerWaalsContact N-OG 3.1Å; S290-S327 PolarHBondContact N-O 2.9Å; S290-S327 PolarHBondContact O-N 3.5Å
291	G	75.7	Confident	74.6	Confident	4 Å²	4	65.9 Å²	65.9	4%	0.041	33%	0.329	C	S	.	.	S	Bend	trans	142.4	147.3	-178.8	0	0	0	0	0	111.2	R293 W294	G291-R293 PolarHBondContact O-N 3.28Å; G291-R293 VanDerWaalsContact O-N 3.14Å; G291-W294 PolarHBondContact O-N 2.6Å; G291-W294 VanDerWaalsContact O-N 3.1Å
292	W	67.3	Low	75.1	Confident	137 Å²	137	61.8 Å²	61.8	52%	0.519	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-60.1	-26.8	-174.7	66.5	-89.6	0	0	0	113.7	R208 W294 R295	R208-W292 HydrophobicContact CB-CB 4.37Å; R208-W292 HydrophobicContact CG-CB 4.1Å; R208-W292 HydrophobicContact CG-CG 4.46Å; W292-W294 VanDerWaalsContact C-N 3.25Å; W292-W294 PolarHBondContact O-N 2.83Å; W292-R295 PolarHBondContact O-N 3Å
293	R	70.5	Confident	75.5	Confident	94 Å²	94	62.2 Å²	62.2	36%	0.355	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-68.5	-24.4	179	-66.7	-178.1	55.7	-125.2	16.7	113.4	G291 R295 E323 E326	G291-R293 PolarHBondContact O-N 3.28Å; G291-R293 VanDerWaalsContact O-N 3.14Å; R293-R295 VanDerWaalsContact C-N 3.3Å; R293-R295 PolarHBondContact O-N 2.99Å; R293-E323 IonicContact CZ-OE1 2.77Å; R293-E323 IonicContact CZ-OE2 2.87Å; R293-E323 IonicContact NE-OE2 2.7Å; R293-E323 PolarHBondContact NE-OE2 2.99Å; R293-E323 VanDerWaalsContact NH1-CG 3.25Å; R293-E323 IonicContact NH1-OE1 2.91Å; R293-E323 PolarHBondContact NH1-OE1 3.34Å; R293-E323 IonicContact NH1-OE2 2.99Å; R293-E323 PolarHBondContact NH1-OE2 2.83Å; R293-E323 VanDerWaalsContact NH1-OE2 3.09Å; R293-E323 IonicContact NH2-OE1 3.4Å; R293-E323 PolarHBondContact NH2-OE1 3.27Å; R293-E323 IonicContact NH2-OE2 3.6Å; R293-E323 PolarHBondContact NH2-OE2 2.93Å; R293-E326 WeakPolarHBondContact CB-OE1 3.32Å; R293-E326 VanDerWaalsContact CD-OE1 3.26Å; R293-E326 WeakPolarHBondContact CD-OE1 3.27Å; R293-E326 IonicContact CZ-OE1 3.26Å; R293-E326 IonicContact NE-OE1 3.93Å; R293-E326 IonicContact NH1-OE1 3.03Å; R293-E326 PolarHBondContact NH1-OE1 2.8Å; R293-E326 IonicContact NH1-OE2 3.75Å
294	W	67.5	Low	75.8	Confident	47 Å²	47	57.7 Å²	57.7	18%	0.178	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-87.4	2	-175.1	-60.5	108.4	0	0	0	113.2	L289 G291 W292 G296 R297 Q298 K321 E326	L289-W294 HydrophobicContact CB-CB 4.31Å; L289-W294 HydrophobicContact CB-CD2 4.03Å; L289-W294 HydrophobicContact CB-CG 3.8Å; L289-W294 HydrophobicContact CD1-CD2 3.62Å; L289-W294 HydrophobicContact CD1-CE3 3.63Å; L289-W294 HydrophobicContact CD1-CG 4.31Å; L289-W294 HydrophobicContact CD1-CH2 3.84Å; L289-W294 HydrophobicContact CD1-CZ2 3.83Å; L289-W294 HydrophobicContact CD1-CZ3 3.74Å; L289-W294 HydrophobicContact CG-CD2 4.38Å; G291-W294 PolarHBondContact O-N 2.6Å; G291-W294 VanDerWaalsContact O-N 3.1Å; W292-W294 VanDerWaalsContact C-N 3.25Å; W292-W294 PolarHBondContact O-N 2.83Å; W294-G296 PolarHBondContact O-N 2.58Å; W294-R297 PolarHBondContact O-N 2.83Å; W294-R297 VanDerWaalsContact O-N 3.12Å; W294-Q298 HydrophobicContact CB-CG 4.02Å; W294-Q298 WeakPolarHBondContact O-CG 3.17Å; W294-K321 HydrophobicContact CH2-CB 4.21Å; W294-K321 HydrophobicContact CZ2-CB 4.4Å; W294-E326 PolarHBondContact NE1-OE1 2.81Å; W294-E326 PolarHBondContact NE1-OE2 3.13Å
295	R	60.2	Low	75.8	Confident	114 Å²	114	56.6 Å²	56.6	43%	0.43	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	124.6	-178	-168.5	-163.4	-167.1	-167.5	12.6	112.9	L179 E211 W292 R293 R297	L179-R295 VanDerWaalsContact O-CZ 3.23Å; L179-R295 PolarHBondContact O-NH1 3.35Å; L179-R295 PolarHBondContact O-NH2 3.41Å; E211-R295 IonicContact OE1-CZ 3.19Å; E211-R295 IonicContact OE1-NE 3.32Å; E211-R295 PolarHBondContact OE1-NE 3.24Å; E211-R295 IonicContact OE1-NH2 3.61Å; E211-R295 PolarHBondContact OE1-NH2 2.98Å; E211-R295 WeakPolarHBondContact OE2-CD 3.38Å; E211-R295 IonicContact OE2-CZ 2.76Å; E211-R295 IonicContact OE2-NE 2.8Å; E211-R295 PolarHBondContact OE2-NE 3.08Å; W292-R295 PolarHBondContact O-N 3Å; R293-R295 VanDerWaalsContact C-N 3.3Å; R293-R295 PolarHBondContact O-N 2.99Å; R295-R297 PolarHBondContact O-N 3Å
296	G	53.2	Low	75.7	Confident	85 Å²	85	61.3 Å²	61.3	88%	0.876	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.5	1.2	176.3	0	0	0	0	0	115.6	W294	W294-G296 PolarHBondContact O-N 2.58Å
297	R	53.2	Low	75.8	Confident	202 Å²	202	66 Å²	66	76%	0.762	34%	0.339	S	S	*	.			trans	-120.4	31.2	-176.2	-68.2	-175.5	173.4	-173	-2.4	112.4	W294 R295	W294-R297 PolarHBondContact O-N 2.83Å; W294-R297 VanDerWaalsContact O-N 3.12Å; R295-R297 PolarHBondContact O-N 3Å
298	Q	58.5	Low	75.8	Confident	55 Å²	55	68.1 Å²	68.1	26%	0.257	35%	0.35	S	S	.	.			trans	-97.7	118.6	-171.6	-58	-166.9	-11.7	0	0	111.8	L289 W294 L300	L289-Q298 PolarHBondContact O-NE2 3.08Å; L289-Q298 VanDerWaalsContact O-NE2 3.1Å; W294-Q298 HydrophobicContact CB-CG 4.02Å; W294-Q298 WeakPolarHBondContact O-CG 3.17Å; Q298-L300 PolarHBondContact O-N 3.44Å
299	A	58.8	Low	75.9	Confident	60 Å²	60	68.8 Å²	68.8	50%	0.496	37%	0.366	S	S	.	.			trans	-71.2	115.2	161.2	0	0	0	0	0	108.3	H301	A299-H301 WeakPolarHBondContact CB-NE2 3.45Å
300	L	72.3	Confident	76	Confident	67 Å²	67	69.6 Å²	69.6	35%	0.351	37%	0.374	S	S	.	.			trans	-87.9	113.3	170.8	172.7	64.2	0	0	0	107.9	A286 K288 Q298 L302	A286-L300 HydrophobicContact CB-CD1 3.62Å; K288-L300 HydrophobicContact CD-CD1 3.61Å; K288-L300 HydrophobicContact CG-CD1 3.6Å; Q298-L300 PolarHBondContact O-N 3.44Å; L300-L302 HydrophobicContact CD1-CD2 4.38Å; L300-L302 HydrophobicContact CD2-CD2 4.36Å; L300-L302 HydrophobicContact CD2-CG 4.49Å; L300-L302 HydrophobicContact CG-CD2 4.3Å; L300-L302 HydrophobicContact CG-CG 4.31Å
301	H	83.4	Confident	76.3	Confident	69 Å²	69	69.5 Å²	69.5	32%	0.319	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.4	176.8	-59.8	-83	0	0	0	110	A286 V287 A299 T314	A286-H301 CarbonylContact C-O 3.36Å; A286-H301 WeakPolarHBondContact CA-O 3.41Å; V287-H301 HydrophobicContact CB-CB 4.37Å; V287-H301 PolarHBondContact N-O 3.41Å; V287-H301 PolarHBondContact O-N 3.42Å; V287-H301 VanDerWaalsContact O-N 3.17Å; A299-H301 WeakPolarHBondContact CB-NE2 3.45Å; H301-T314 HydrophobicContact CB-CG2 3.74Å
302	L	85.8	Confident	77	Confident	73 Å²	73	69.9 Å²	69.9	38%	0.382	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	131.6	177.6	-64.8	173.1	0	0	0	109.8	A286 L300 V333	A286-L302 HydrophobicContact CB-CD2 4.02Å; L300-L302 HydrophobicContact CD1-CD2 4.38Å; L300-L302 HydrophobicContact CD2-CD2 4.36Å; L300-L302 HydrophobicContact CD2-CG 4.49Å; L300-L302 HydrophobicContact CG-CD2 4.3Å; L300-L302 HydrophobicContact CG-CG 4.31Å; L302-V333 HydrophobicContact CD2-CG1 4.49Å; L302-V333 HydrophobicContact CD2-CG2 3.73Å
303	H	88.2	Confident	78.2	Confident	24 Å²	24	68.5 Å²	68.5	11%	0.111	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.2	179.8	-65.4	-77.3	0	0	0	110.9	Q284 V285 V311 T314	Q284-H303 WeakPolarHBondContact CA-O 3.28Å; V285-H303 HydrophobicContact CG2-CB 4.32Å; V285-H303 PolarHBondContact N-O 3.48Å; V285-H303 PolarHBondContact O-N 3.37Å; H303-V311 HydrophobicContact CB-CG2 3.59Å; H303-T314 PolarHBondContact CE1-OG1 2.92Å; H303-T314 PolarHBondContact NE2-OG1 3.03Å
304	P	87	Confident	79.1	Confident	48 Å²	48	65.1 Å²	65.1	31%	0.312	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	139	168.2	-21.4	33.9	0	0	0	110.9	A306 E307	P304-A306 PolarHBondContact O-N 2.86Å; P304-A306 VanDerWaalsContact O-N 3.12Å; P304-E307 HydrophobicContact CB-CG 4.14Å; P304-E307 HydrophobicContact CG-CG 4.22Å; P304-E307 PolarHBondContact O-N 3.41Å
305	R	85.1	Confident	80.2	Confident	65 Å²	65	62.9 Å²	62.9	25%	0.245	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.9	177.1	177.6	176.6	177.8	179.9	2.9	112.8	L274 G280 V282 L283 E307	L274-R305 HydrophobicContact CD2-CG 4.28Å; L274-R305 PolarHBondContact O-NE 3.22Å; L274-R305 PolarHBondContact O-NH2 3.25Å; G280-R305 PolarHBondContact O-NH1 3.46Å; V282-R305 WeakPolarHBondContact O-CD 3.19Å; V282-R305 PolarHBondContact O-NH1 3.35Å; L283-R305 WeakPolarHBondContact O-CB 3.35Å; L283-R305 PolarHBondContact O-N 3.47Å; R305-E307 VanDerWaalsContact C-N 3.28Å; R305-E307 PolarHBondContact O-N 2.87Å
306	A	86.3	Confident	81.6	Confident	99 Å²	99	59.5 Å²	59.5	82%	0.818	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.5	177.7	0	0	0	0	0	113.6	P304 L308	P304-A306 PolarHBondContact O-N 2.86Å; P304-A306 VanDerWaalsContact O-N 3.12Å; A306-L308 PolarHBondContact O-N 2.88Å
307	E	89.8	Confident	83.3	Confident	101 Å²	101	57.8 Å²	57.8	47%	0.472	33%	0.327	S	S	.	.			trans	-97	65.7	-173	-67.5	-177.6	-169	0	0	112.4	P304 R305 G309 A310 V311	P304-E307 HydrophobicContact CB-CG 4.14Å; P304-E307 HydrophobicContact CG-CG 4.22Å; P304-E307 PolarHBondContact O-N 3.41Å; R305-E307 VanDerWaalsContact C-N 3.28Å; R305-E307 PolarHBondContact O-N 2.87Å; E307-G309 VanDerWaalsContact C-N 3.26Å; E307-G309 PolarHBondContact O-N 3.46Å; E307-A310 HydrophobicContact CB-CB 4.04Å; E307-A310 PolarHBondContact O-N 3.41Å; E307-A310 VanDerWaalsContact O-N 3.1Å; E307-V311 PolarHBondContact O-N 3.38Å
308	L	90.3	Very high	85	Confident	44 Å²	44	48.7 Å²	48.7	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-49.6	-44.9	-179.7	175.3	63.8	0	0	0	112.9	V270 E271 L274 A306 A310 V311 V312	V270-L308 HydrophobicContact CB-CD1 4.35Å; V270-L308 HydrophobicContact CG1-CD1 3.73Å; E271-L308 HydrophobicContact CB-CD1 3.99Å; E271-L308 HydrophobicContact CB-CD2 4.04Å; E271-L308 HydrophobicContact CG-CD2 4.02Å; L274-L308 HydrophobicContact CD1-CB 4.48Å; L274-L308 HydrophobicContact CD1-CD1 3.82Å; A306-L308 PolarHBondContact O-N 2.88Å; L308-A310 VanDerWaalsContact C-N 3.35Å; L308-A310 PolarHBondContact O-N 3.12Å; L308-V311 PolarHBondContact O-N 3.01Å; L308-V312 HydrophobicContact CD1-CG2 3.96Å; L308-V312 HydrophobicContact CG-CG2 4.39Å; L308-V312 WeakPolarHBondContact O-CG2 3.45Å; L308-V312 PolarHBondContact O-N 3.31Å
309	G	88.9	Confident	86.4	Confident	44 Å²	44	46.5 Å²	46.5	45%	0.454	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-37.7	-177.9	0	0	0	0	0	113.6	E307 N313	E307-G309 VanDerWaalsContact C-N 3.26Å; E307-G309 PolarHBondContact O-N 3.46Å; G309-N313 WeakPolarHBondContact O-CB 3.33Å; G309-N313 PolarHBondContact O-N 3.07Å; G309-N313 PolarHBondContact O-ND2 3.44Å
310	A	90.4	Very high	87.6	Confident	28 Å²	28	50.9 Å²	50.9	23%	0.231	29%	0.294	C	S	.	.	H	α-helix	trans	-68.2	-42.6	178.6	0	0	0	0	0	111.2	E307 L308 T314	E307-A310 HydrophobicContact CB-CB 4.04Å; E307-A310 PolarHBondContact O-N 3.41Å; E307-A310 VanDerWaalsContact O-N 3.1Å; L308-A310 VanDerWaalsContact C-N 3.35Å; L308-A310 PolarHBondContact O-N 3.12Å; A310-T314 PolarHBondContact O-N 2.74Å; A310-T314 VanDerWaalsContact O-N 3.11Å; A310-T314 PolarHBondContact O-OG1 3.36Å
311	V	90	Very high	88.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-49	176.9	-178	0	0	0	0	110.8	V270 L274 V285 V287 H303 E307 L308 N313 T314 V315 V330	V270-V311 HydrophobicContact CG1-CB 4.17Å; V270-V311 HydrophobicContact CG1-CG1 3.64Å; L274-V311 HydrophobicContact CD1-CG2 4.42Å; V285-V311 HydrophobicContact CG2-CG1 4.3Å; V285-V311 HydrophobicContact CG2-CG2 3.7Å; V287-V311 HydrophobicContact CG2-CG1 3.98Å; H303-V311 HydrophobicContact CB-CG2 3.59Å; E307-V311 PolarHBondContact O-N 3.38Å; L308-V311 PolarHBondContact O-N 3.01Å; V311-N313 PolarHBondContact O-N 3.27Å; V311-T314 PolarHBondContact O-N 3.02Å; V311-V315 HydrophobicContact CG1-CG2 4.49Å; V311-V315 WeakPolarHBondContact O-CG2 3.32Å; V311-V315 PolarHBondContact O-N 3.24Å; V311-V330 HydrophobicContact CG1-CG1 3.97Å; V311-V330 HydrophobicContact CG1-CG2 4.4Å
312	V	91.2	Very high	88.2	Confident	12 Å²	12	50.5 Å²	50.5	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-45.6	-179.4	171.4	0	0	0	0	111.5	V266 K267 V270 L308 T314 V315 L316	V266-V312 HydrophobicContact CG1-CG1 4.3Å; K267-V312 HydrophobicContact CB-CG1 4.47Å; V270-V312 HydrophobicContact CB-CG2 4.02Å; V270-V312 HydrophobicContact CG1-CG2 4Å; V270-V312 HydrophobicContact CG2-CG2 4.36Å; L308-V312 HydrophobicContact CD1-CG2 3.96Å; L308-V312 HydrophobicContact CG-CG2 4.39Å; L308-V312 WeakPolarHBondContact O-CG2 3.45Å; L308-V312 PolarHBondContact O-N 3.31Å; V312-T314 VanDerWaalsContact C-N 3.33Å; V312-T314 PolarHBondContact O-N 2.91Å; V312-V315 PolarHBondContact O-N 2.95Å; V312-L316 HydrophobicContact CG1-CD1 3.86Å; V312-L316 HydrophobicContact CG1-CG 4.38Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 2.89Å
313	N	91	Very high	88.1	Confident	108 Å²	108	51.5 Å²	51.5	58%	0.578	29%	0.291	S	S	*	.	H	α-helix	trans	-61.1	-41.8	179.1	-71.6	-16.1	0	0	0	112	G309 V311 A317	G309-N313 WeakPolarHBondContact O-CB 3.33Å; G309-N313 PolarHBondContact O-N 3.07Å; G309-N313 PolarHBondContact O-ND2 3.44Å; V311-N313 PolarHBondContact O-N 3.27Å; N313-A317 WeakPolarHBondContact O-CB 3.45Å; N313-A317 PolarHBondContact O-N 3.48Å
314	T	91.1	Very high	87.8	Confident	23 Å²	23	55.8 Å²	55.8	14%	0.141	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-42.4	176.3	-58	0	0	0	0	111.6	V287 H301 H303 A310 V311 V312 A317 L318	V287-T314 HydrophobicContact CB-CG2 3.88Å; V287-T314 HydrophobicContact CG1-CG2 3.96Å; V287-T314 HydrophobicContact CG2-CG2 4.33Å; H301-T314 HydrophobicContact CB-CG2 3.74Å; H303-T314 PolarHBondContact CE1-OG1 2.92Å; H303-T314 PolarHBondContact NE2-OG1 3.03Å; A310-T314 PolarHBondContact O-N 2.74Å; A310-T314 VanDerWaalsContact O-N 3.11Å; A310-T314 PolarHBondContact O-OG1 3.36Å; V311-T314 PolarHBondContact O-N 3.02Å; V312-T314 VanDerWaalsContact C-N 3.33Å; V312-T314 PolarHBondContact O-N 2.91Å; T314-A317 PolarHBondContact O-N 3.38Å; T314-L318 HydrophobicContact CG2-CD1 4.08Å; T314-L318 VanDerWaalsContact O-CG 3.32Å; T314-L318 WeakPolarHBondContact O-CG 3.4Å; T314-L318 PolarHBondContact O-N 2.89Å; T314-L318 VanDerWaalsContact O-N 3.1Å
315	V	90.1	Very high	87.3	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-50.2	176.8	171.3	0	0	0	0	110.4	F234 V266 V287 V311 V312 A317 L318 L319 V328 V330	F234-V315 HydrophobicContact CD2-CG1 3.81Å; F234-V315 HydrophobicContact CE2-CG1 3.92Å; V266-V315 HydrophobicContact CG1-CB 4.11Å; V266-V315 HydrophobicContact CG1-CG1 3.61Å; V287-V315 HydrophobicContact CG1-CG2 3.71Å; V287-V315 HydrophobicContact CG2-CG2 4.24Å; V311-V315 HydrophobicContact CG1-CG2 4.49Å; V311-V315 WeakPolarHBondContact O-CG2 3.32Å; V311-V315 PolarHBondContact O-N 3.24Å; V312-V315 PolarHBondContact O-N 2.95Å; V315-A317 VanDerWaalsContact C-N 3.35Å; V315-A317 PolarHBondContact O-N 3.1Å; V315-L318 PolarHBondContact O-N 2.97Å; V315-L318 VanDerWaalsContact O-N 3.11Å; V315-L319 HydrophobicContact CG1-CD1 3.95Å; V315-L319 HydrophobicContact CG1-CG 4.13Å; V315-L319 WeakPolarHBondContact O-CG 3.14Å; V315-L319 PolarHBondContact O-N 2.86Å; V315-V328 HydrophobicContact CB-CG1 4.37Å; V315-V328 HydrophobicContact CG1-CG1 4.04Å; V315-V328 HydrophobicContact CG2-CG1 4.15Å; V315-V330 HydrophobicContact CG2-CG2 3.52Å
316	L	90	Very high	87.4	Confident	42 Å²	42	55.8 Å²	55.8	22%	0.22	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-44.7	179	-68.9	170	0	0	0	112	E263 V266 V312 L318 L319 E320	E263-L316 HydrophobicContact CG-CD1 4.15Å; E263-L316 HydrophobicContact CG-CD2 4.16Å; V266-L316 HydrophobicContact CB-CD2 4.18Å; V266-L316 HydrophobicContact CG1-CD2 4.29Å; V266-L316 HydrophobicContact CG1-CG 4.37Å; V266-L316 HydrophobicContact CG2-CD2 4.06Å; V312-L316 HydrophobicContact CG1-CD1 3.86Å; V312-L316 HydrophobicContact CG1-CG 4.38Å; V312-L316 WeakPolarHBondContact O-CG 3.49Å; V312-L316 PolarHBondContact O-N 2.89Å; L316-L318 PolarHBondContact O-N 3.27Å; L316-L319 HydrophobicContact CD2-CD1 4.37Å; L316-L319 PolarHBondContact O-N 2.88Å; L316-E320 PolarHBondContact O-N 3.28Å
317	A	88.6	Confident	87.5	Confident	50 Å²	50	51.1 Å²	51.1	41%	0.413	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-27.4	178.1	0	0	0	0	0	113.7	N313 T314 V315	N313-A317 WeakPolarHBondContact O-CB 3.45Å; N313-A317 PolarHBondContact O-N 3.48Å; T314-A317 PolarHBondContact O-N 3.38Å; V315-A317 VanDerWaalsContact C-N 3.35Å; V315-A317 PolarHBondContact O-N 3.1Å
318	L	88.4	Confident	87.5	Confident	11 Å²	11	46.3 Å²	46.3	6%	0.058	25%	0.248	C	C	.	.	H	α-helix	trans	-87.3	-31.1	176.8	-68	177	0	0	0	112.6	V287 L289 T314 V315 L316 E320 K321 V328	V287-L318 HydrophobicContact CG1-CD1 3.76Å; L289-L318 HydrophobicContact CD1-CD2 4.06Å; L289-L318 HydrophobicContact CD2-CB 4.11Å; L289-L318 HydrophobicContact CG-CD2 4.29Å; T314-L318 HydrophobicContact CG2-CD1 4.08Å; T314-L318 VanDerWaalsContact O-CG 3.32Å; T314-L318 WeakPolarHBondContact O-CG 3.4Å; T314-L318 PolarHBondContact O-N 2.89Å; T314-L318 VanDerWaalsContact O-N 3.1Å; V315-L318 PolarHBondContact O-N 2.97Å; V315-L318 VanDerWaalsContact O-N 3.11Å; L316-L318 PolarHBondContact O-N 3.27Å; L318-E320 VanDerWaalsContact C-N 3.26Å; L318-E320 PolarHBondContact O-N 3.33Å; L318-K321 HydrophobicContact CD2-CD 4.5Å; L318-K321 WeakPolarHBondContact O-CB 3.34Å; L318-K321 PolarHBondContact O-N 2.92Å; L318-V328 HydrophobicContact CB-CG1 4.39Å; L318-V328 HydrophobicContact CB-CG2 3.69Å; L318-V328 HydrophobicContact CD1-CG1 4.47Å
319	L	87.3	Confident	87.5	Confident	8 Å²	8	44.2 Å²	44.2	4%	0.042	24%	0.237	C	C	.	.	H	α-helix	trans	-59.3	-35.8	177.3	-77.4	176.7	0	0	0	112.5	F234 L256 V266 V315 L316 K321 L322 V328	F234-L319 HydrophobicContact CB-CD2 3.88Å; L256-L319 HydrophobicContact CD1-CD1 4.23Å; L256-L319 HydrophobicContact CD1-CD2 3.53Å; V266-L319 HydrophobicContact CG2-CD1 3.67Å; V315-L319 HydrophobicContact CG1-CD1 3.95Å; V315-L319 HydrophobicContact CG1-CG 4.13Å; V315-L319 WeakPolarHBondContact O-CG 3.14Å; V315-L319 PolarHBondContact O-N 2.86Å; L316-L319 HydrophobicContact CD2-CD1 4.37Å; L316-L319 PolarHBondContact O-N 2.88Å; L319-K321 PolarHBondContact O-N 3.2Å; L319-L322 HydrophobicContact CD2-CD1 3.57Å; L319-L322 PolarHBondContact O-N 2.98Å; L319-V328 HydrophobicContact CD2-CB 4.15Å; L319-V328 HydrophobicContact CD2-CG2 3.79Å; L319-V328 HydrophobicContact CG-CG2 4.12Å
320	E	84.6	Confident	87.6	Confident	153 Å²	153	42.1 Å²	42.1	72%	0.715	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-29	176.2	-67.5	-177.2	174.9	0	0	112.8	L316 L318	L316-E320 PolarHBondContact O-N 3.28Å; L318-E320 VanDerWaalsContact C-N 3.26Å; L318-E320 PolarHBondContact O-N 3.33Å
321	K	84.8	Confident	87.6	Confident	125 Å²	125	40.8 Å²	40.8	54%	0.543	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.5	-174.7	-58.6	178.9	-175.6	174.8	0	113.9	W294 L318 L319	W294-K321 HydrophobicContact CH2-CB 4.21Å; W294-K321 HydrophobicContact CZ2-CB 4.4Å; L318-K321 HydrophobicContact CD2-CD 4.5Å; L318-K321 WeakPolarHBondContact O-CB 3.34Å; L318-K321 PolarHBondContact O-N 2.92Å; L319-K321 PolarHBondContact O-N 3.2Å
322	L	83.3	Confident	87.4	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	21%	0.207	C	C	.	.			trans	-66.8	143.2	-176.5	-68.6	-178.1	0	0	0	112.4	K259 L289 L319 E326 V328	K259-L322 WeakPolarHBondContact CE-O 3.4Å; K259-L322 PolarHBondContact NZ-O 2.72Å; L289-L322 HydrophobicContact CD2-CD2 3.48Å; L289-L322 VanDerWaalsContact CD2-CD2 3.48Å; L289-L322 HydrophobicContact CD2-CG 4.45Å; L319-L322 HydrophobicContact CD2-CD1 3.57Å; L319-L322 PolarHBondContact O-N 2.98Å; L322-E326 WeakPolarHBondContact CA-OE2 3.34Å; L322-E326 HydrophobicContact CB-CB 4.36Å; L322-E326 HydrophobicContact CD2-CB 3.69Å; L322-V328 HydrophobicContact CD1-CG2 4.03Å; L322-V328 HydrophobicContact CD2-CG2 4.07Å; L322-V328 HydrophobicContact CG-CG2 4.14Å
323	E	83.8	Confident	87	Confident	95 Å²	95	42 Å²	42	44%	0.444	21%	0.213	S	C	.	.			trans	-97.8	175.3	159.6	-74.3	-177.1	-167.7	0	0	111.3	R293 E326	R293-E323 IonicContact CZ-OE1 2.77Å; R293-E323 IonicContact CZ-OE2 2.87Å; R293-E323 IonicContact NE-OE2 2.7Å; R293-E323 PolarHBondContact NE-OE2 2.99Å; R293-E323 VanDerWaalsContact NH1-CG 3.25Å; R293-E323 IonicContact NH1-OE1 2.91Å; R293-E323 PolarHBondContact NH1-OE1 3.34Å; R293-E323 IonicContact NH1-OE2 2.99Å; R293-E323 PolarHBondContact NH1-OE2 2.83Å; R293-E323 VanDerWaalsContact NH1-OE2 3.09Å; R293-E323 IonicContact NH2-OE1 3.4Å; R293-E323 PolarHBondContact NH2-OE1 3.27Å; R293-E323 IonicContact NH2-OE2 3.6Å; R293-E323 PolarHBondContact NH2-OE2 2.93Å; E323-E326 HydrophobicContact CB-CG 4.35Å; E323-E326 PolarHBondContact N-OE2 3.06Å; E323-E326 WeakPolarHBondContact O-CB 3.23Å; E323-E326 PolarHBondContact O-N 3.36Å
324	E	81.2	Confident	86.1	Confident	113 Å²	113	39 Å²	39	53%	0.528	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	143.3	175.4	-64.9	-170.1	161	0	0	110.4	Y236 K237 E326	Y236-E324 HydrophobicContact CD1-CG 4.17Å; Y236-E324 HydrophobicContact CE1-CG 3.73Å; K237-E324 HydrophobicContact CD-CG 4.09Å; K237-E324 WeakPolarHBondContact CD-OE1 3.29Å; K237-E324 WeakPolarHBondContact CE-OE1 3.36Å; K237-E324 IonicContact NZ-OE1 3.09Å; K237-E324 PolarHBondContact NZ-OE1 3.33Å; E324-E326 PolarHBondContact O-N 2.9Å
325	E	78.1	Confident	84.7	Confident	109 Å²	109	42 Å²	42	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	6.5	-177.5	-51.7	-174.7	160.3	0	0	115.1	Y236 K237 P239	Y236-E325 PolarHBondContact O-N 3.09Å; K237-E325 PolarHBondContact O-N 3.18Å; P239-E325 HydrophobicContact CB-CB 4.47Å; P239-E325 HydrophobicContact CB-CG 4.15Å; P239-E325 HydrophobicContact CG-CB 4.25Å; P239-E325 HydrophobicContact CG-CG 4.43Å
326	E	85.8	Confident	83.2	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.019	22%	0.222	C	C	.	.			trans	-97.4	158.5	174.4	-57.6	-175.5	161.5	0	0	112.2	Y236 R293 W294 L322 E323 E324	Y236-E326 PolarHBondContact N-O 3.22Å; R293-E326 WeakPolarHBondContact CB-OE1 3.32Å; R293-E326 VanDerWaalsContact CD-OE1 3.26Å; R293-E326 WeakPolarHBondContact CD-OE1 3.27Å; R293-E326 IonicContact CZ-OE1 3.26Å; R293-E326 IonicContact NE-OE1 3.93Å; R293-E326 IonicContact NH1-OE1 3.03Å; R293-E326 PolarHBondContact NH1-OE1 2.8Å; R293-E326 IonicContact NH1-OE2 3.75Å; W294-E326 PolarHBondContact NE1-OE1 2.81Å; W294-E326 PolarHBondContact NE1-OE2 3.13Å; L322-E326 WeakPolarHBondContact CA-OE2 3.34Å; L322-E326 HydrophobicContact CB-CB 4.36Å; L322-E326 HydrophobicContact CD2-CB 3.69Å; E323-E326 HydrophobicContact CB-CG 4.35Å; E323-E326 PolarHBondContact N-OE2 3.06Å; E323-E326 WeakPolarHBondContact O-CB 3.23Å; E323-E326 PolarHBondContact O-N 3.36Å; E324-E326 PolarHBondContact O-N 2.9Å
327	S	88.3	Confident	81.7	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	149.9	-177.2	-43.5	0	0	0	0	113.4	L214 F234 T235 L289 S290	L214-S327 VanDerWaalsContact CD2-OG 3.27Å; L214-S327 WeakPolarHBondContact CD2-OG 3.45Å; F234-S327 CarbonylContact O-C 3.6Å; F234-S327 WeakPolarHBondContact O-CA 3.49Å; F234-S327 WeakPolarHBondContact O-CB 3.44Å; T235-S327 WeakPolarHBondContact CB-OG 3.32Å; T235-S327 WeakPolarHBondContact CG2-OG 3.23Å; T235-S327 WeakPolarHBondContact OG1-CB 3.23Å; T235-S327 PolarHBondContact OG1-OG 2.79Å; L289-S327 CarbonylContact C-O 3.59Å; S290-S327 PolarHBondContact N-O 2.9Å; S290-S327 PolarHBondContact O-N 3.5Å
328	V	90.9	Very high	80.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.7	160.6	176.7	0	0	0	0	108.4	A233 F234 V287 L289 V315 L318 L319 L322	A233-V328 WeakPolarHBondContact CA-O 3.43Å; F234-V328 PolarHBondContact N-O 2.92Å; F234-V328 PolarHBondContact O-N 2.93Å; V287-V328 HydrophobicContact CG1-CG1 3.74Å; L289-V328 HydrophobicContact CD2-CG2 3.82Å; V315-V328 HydrophobicContact CB-CG1 4.37Å; V315-V328 HydrophobicContact CG1-CG1 4.04Å; V315-V328 HydrophobicContact CG2-CG1 4.15Å; L318-V328 HydrophobicContact CB-CG1 4.39Å; L318-V328 HydrophobicContact CB-CG2 3.69Å; L318-V328 HydrophobicContact CD1-CG1 4.47Å; L319-V328 HydrophobicContact CD2-CB 4.15Å; L319-V328 HydrophobicContact CD2-CG2 3.79Å; L319-V328 HydrophobicContact CG-CG2 4.12Å; L322-V328 HydrophobicContact CD1-CG2 4.03Å; L322-V328 HydrophobicContact CD2-CG2 4.07Å; L322-V328 HydrophobicContact CG-CG2 4.14Å
329	L	90.8	Very high	78.7	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.9	178.9	-51.3	-176.3	0	0	0	110.4	R213 L214 T231 L232 A233 V287 K288 E331	R213-L329 HydrophobicContact CB-CD1 3.82Å; L214-L329 HydrophobicContact CB-CD2 4.15Å; L214-L329 HydrophobicContact CD1-CD2 4.16Å; T231-L329 HydrophobicContact CG2-CB 4.42Å; T231-L329 HydrophobicContact CG2-CD2 4.2Å; L232-L329 CarbonylContact O-C 3.49Å; L232-L329 WeakPolarHBondContact O-CA 3.28Å; A233-L329 HydrophobicContact CB-CD2 3.45Å; A233-L329 VanDerWaalsContact CB-CD2 3.45Å; V287-L329 CarbonylContact C-O 3.11Å; V287-L329 VanDerWaalsContact CA-O 3.28Å; V287-L329 WeakPolarHBondContact CA-O 3.4Å; K288-L329 PolarHBondContact N-O 3.36Å; K288-L329 PolarHBondContact O-N 3.19Å; L329-E331 HydrophobicContact CB-CG 4.05Å
330	V	91.1	Very high	77	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.2	163.3	-172.7	0	0	0	0	106.8	L232 F273 V285 A286 V287 V311 V315	L232-V330 HydrophobicContact CB-CB 4.27Å; L232-V330 PolarHBondContact N-O 3.03Å; L232-V330 PolarHBondContact O-N 2.95Å; F273-V330 HydrophobicContact CD1-CG1 4.18Å; F273-V330 HydrophobicContact CE1-CB 4.41Å; F273-V330 HydrophobicContact CE1-CG1 4.04Å; F273-V330 WeakPolarHBondContact CE1-O 3.3Å; F273-V330 WeakPolarHBondContact CZ-O 3.21Å; V285-V330 HydrophobicContact CB-CG1 4.04Å; V285-V330 HydrophobicContact CG2-CG1 4.12Å; A286-V330 WeakPolarHBondContact O-CA 3.17Å; V287-V330 HydrophobicContact CG2-CG2 4.32Å; V311-V330 HydrophobicContact CG1-CG1 3.97Å; V311-V330 HydrophobicContact CG1-CG2 4.4Å; V315-V330 HydrophobicContact CG2-CG2 3.52Å
331	E	89.6	Confident	75.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146.4	-174.2	-63.9	-171.7	118.5	0	0	111.9	R217 A230 T231 V285 A286 K288 L329 V333	R217-E331 IonicContact CZ-OE1 3.89Å; R217-E331 IonicContact NE-OE1 2.6Å; R217-E331 PolarHBondContact NE-OE1 2.83Å; R217-E331 IonicContact NH2-OE1 2.71Å; R217-E331 PolarHBondContact NH2-OE1 2.76Å; R217-E331 IonicContact NH2-OE2 3.92Å; A230-E331 CarbonylContact O-C 3.54Å; A230-E331 WeakPolarHBondContact O-CA 3.49Å; T231-E331 HydrophobicContact CG2-CG 3.88Å; T231-E331 PolarHBondContact OG1-OE1 3.37Å; V285-E331 CarbonylContact C-O 3.53Å; V285-E331 VanDerWaalsContact CA-O 3.29Å; V285-E331 WeakPolarHBondContact CA-O 3.47Å; A286-E331 PolarHBondContact N-O 3.39Å; A286-E331 PolarHBondContact O-N 3.3Å; K288-E331 WeakPolarHBondContact CE-OE2 3.44Å; K288-E331 IonicContact NZ-OE2 3.78Å; K288-E331 PolarHBondContact NZ-OE2 3.48Å; L329-E331 HydrophobicContact CB-CG 4.05Å; E331-V333 PolarHBondContact O-N 2.91Å
332	A	85.9	Confident	73.1	Confident	6 Å²	6	48 Å²	48	5%	0.05	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	130.7	167	0	0	0	0	0	110.5	A230 L279 V282 Y334	A230-A332 HydrophobicContact CB-CB 4.19Å; A230-A332 PolarHBondContact O-N 3.42Å; L279-A332 HydrophobicContact CD2-CB 3.61Å; V282-A332 HydrophobicContact CG1-CB 4.23Å; V282-A332 HydrophobicContact CG2-CB 4.17Å; A332-Y334 HydrophobicContact CB-CE2 3.79Å
333	V	81.6	Confident	71.1	Confident	30 Å²	30	55.9 Å²	55.9	18%	0.182	31%	0.31	C	S	.	.			trans	-91.4	118.9	172.2	179.9	0	0	0	0	108	V282 Q284 A286 L302 E331 P335	V282-V333 WeakPolarHBondContact CG1-O 3.44Å; Q284-V333 HydrophobicContact CB-CB 4.18Å; Q284-V333 HydrophobicContact CB-CG2 4.4Å; Q284-V333 WeakPolarHBondContact O-CB 3.4Å; Q284-V333 PolarHBondContact O-N 2.86Å; Q284-V333 VanDerWaalsContact O-N 3.09Å; A286-V333 HydrophobicContact CB-CG2 3.59Å; L302-V333 HydrophobicContact CD2-CG1 4.49Å; L302-V333 HydrophobicContact CD2-CG2 3.73Å; E331-V333 PolarHBondContact O-N 2.91Å; V333-P335 WeakPolarHBondContact O-CD 3.31Å
334	Y	72.6	Confident	69.5	Low	45 Å²	45	53.7 Å²	53.7	18%	0.176	31%	0.313	C	S	.	.			trans	-90.5	98.9	169.4	-64.6	-92.7	0	0	0	107.2	P229 V282 A332 V464	P229-Y334 HydrophobicContact CB-CD2 4.29Å; P229-Y334 HydrophobicContact CB-CE2 3.68Å; P229-Y334 HydrophobicContact CG-CD2 4.1Å; P229-Y334 HydrophobicContact CG-CE2 3.87Å; V282-Y334 HydrophobicContact CG2-CE1 4.45Å; A332-Y334 HydrophobicContact CB-CE2 3.79Å; Y334-V464 HydrophobicContact CD1-CG2 4.21Å; Y334-V464 HydrophobicContact CD2-CG1 4.06Å; Y334-V464 HydrophobicContact CE1-CG1 4.49Å; Y334-V464 HydrophobicContact CE1-CG2 4.13Å; Y334-V464 HydrophobicContact CE2-CG1 3.96Å; Y334-V464 HydrophobicContact CG-CG1 4.41Å
335	P	62.1	Low	67.7	Low	86 Å²	86	54.8 Å²	54.8	56%	0.558	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-59.3	145.9	167.7	28.7	-34	0	0	0	107.5	V333 V337	V333-P335 WeakPolarHBondContact O-CD 3.31Å; P335-V337 PolarHBondContact O-N 2.79Å
336	P	59.2	Low	66.4	Low	27 Å²	27	53.4 Å²	53.4	18%	0.175	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-56.4	136.4	176.5	-18.2	29.3	0	0	0	109.7	Q338 A352 L383	P336-Q338 PolarHBondContact O-N 3.13Å; P336-Q338 VanDerWaalsContact O-N 3.16Å; P336-A352 HydrophobicContact CB-CB 3.18Å; P336-A352 HydrophobicContact CG-CB 3.53Å; P336-L383 HydrophobicContact CB-CD1 4.5Å; P336-L383 HydrophobicContact CG-CD1 4.2Å
337	V	57.9	Low	64.6	Low	21 Å²	21	60.2 Å²	60.2	13%	0.127	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-56.6	123.6	-177.5	174.5	0	0	0	0	110.4	P335 L339 L454 L461	P335-V337 PolarHBondContact O-N 2.79Å; V337-L339 HydrophobicContact CB-CG 4.45Å; V337-L339 HydrophobicContact CG1-CD2 3.51Å; V337-L339 HydrophobicContact CG1-CG 3.66Å; V337-L339 PolarHBondContact O-N 2.88Å; V337-L454 HydrophobicContact CG2-CB 4.06Å; V337-L454 WeakPolarHBondContact CG2-O 3.24Å; V337-L461 HydrophobicContact CG1-CD2 4.32Å
338	Q	57.5	Low	63.1	Low	138 Å²	138	62.1 Å²	62.1	65%	0.645	40%	0.397	S	S	*	.			trans	-79.4	100.4	161.6	-65.8	-176.6	8.9	0	0	107.2	P336	P336-Q338 PolarHBondContact O-N 3.13Å; P336-Q338 VanDerWaalsContact O-N 3.16Å
339	L	56.8	Low	61.6	Low	23 Å²	23	65 Å²	65	12%	0.12	42%	0.416	C	S	.	.			trans	-76.5	138.2	178.1	-72.8	164.1	0	0	0	109.2	V337 C341 C400 L402 L461	V337-L339 HydrophobicContact CB-CG 4.45Å; V337-L339 HydrophobicContact CG1-CD2 3.51Å; V337-L339 HydrophobicContact CG1-CG 3.66Å; V337-L339 PolarHBondContact O-N 2.88Å; L339-C341 PolarHBondContact O-N 2.73Å; L339-C400 HydrophobicContact CB-CB 4.12Å; L339-C400 WeakPolarHBondContact CB-O 3.39Å; L339-C400 HydrophobicContact CD1-CB 3.43Å; L339-C400 VanDerWaalsContact CD1-CB 3.43Å; L339-C400 HydrophobicContact CG-CB 4.3Å; L339-L402 HydrophobicContact CB-CG 4.46Å; L339-L402 HydrophobicContact CD1-CD1 3.25Å; L339-L402 HydrophobicContact CD1-CG 3.65Å; L339-L402 HydrophobicContact CD2-CD1 3.49Å; L339-L402 VanDerWaalsContact CD2-CD1 3.49Å; L339-L402 HydrophobicContact CD2-CD2 4.17Å; L339-L402 HydrophobicContact CD2-CG 3.84Å; L339-L402 HydrophobicContact CG-CD1 3.92Å; L339-L402 HydrophobicContact CG-CG 4.15Å; L339-L461 HydrophobicContact CD2-CD1 4.19Å; L339-L461 HydrophobicContact CD2-CD2 3.76Å
340	P	51.6	Low	60.5	Low	110 Å²	110	66.4 Å²	66.4	71%	0.714	43%	0.429	S	S	*	.			trans	-63.4	112.7	-177.7	23.1	-30.2	0	0	0	109.3
341	C	44.2	Very low	59.7	Low	90 Å²	90	70 Å²	70	61%	0.608	45%	0.448	S	S	*	.			trans	-68.2	136.6	174.1	-165.2	0	0	0	0	108.9	L339 D343	L339-C341 PolarHBondContact O-N 2.73Å; C341-D343 PolarHBondContact O-N 2.88Å
342	S	43.7	Very low	59.1	Low	106 Å²	106	69.9 Å²	69.9	74%	0.741	45%	0.448	S	S	*	.	S	Bend	trans	-53.3	132.6	171.1	175.2	0	0	0	0	110.1	G344	S342-G344 PolarHBondContact O-N 2.67Å
343	D	41.3	Very low	59.1	Low	169 Å²	169	69.9 Å²	69.9	90%	0.904	45%	0.447	S	S	*	.	S	Bend	trans	-17.2	103.4	-174.5	-68.3	-46.6	0	0	0	117	C341	C341-D343 PolarHBondContact O-N 2.88Å
344	G	49.3	Very low	59.3	Low	49 Å²	49	70.4 Å²	70.4	51%	0.505	45%	0.446	S	S	.	.	S	Bend	trans	169.3	139.8	162.5	0	0	0	0	0	112.5	S342 S346	S342-G344 PolarHBondContact O-N 2.67Å; G344-S346 PolarHBondContact O-N 2.84Å
345	P	44.6	Very low	60.1	Low	136 Å²	136	68.3 Å²	68.3	88%	0.883	44%	0.437	S	S	*	.			trans	-71.2	97.6	174.7	28.5	-30.8	0	0	0	109.3
346	S	49	Very low	61.5	Low	79 Å²	79	64.5 Å²	64.5	55%	0.552	41%	0.413	S	S	*	.			trans	-74	126.1	168.9	61.5	0	0	0	0	109.2	G344 G348	G344-S346 PolarHBondContact O-N 2.84Å; S346-G348 PolarHBondContact O-N 3.43Å
347	P	49.1	Very low	63.1	Low	148 Å²	148	63.2 Å²	63.2	96%	0.961	40%	0.404	S	S	*	.	S	Bend	trans	-76.1	22.5	-173.7	30.2	-35	0	0	0	114.6
348	G	56.6	Low	64.7	Low	41 Å²	41	62.2 Å²	62.2	42%	0.423	40%	0.398	S	S	.	.	S	Bend	trans	-136.1	164.2	-176.3	0	0	0	0	0	113.3	S346	S346-G348 PolarHBondContact O-N 3.43Å
349	P	59.9	Low	66.4	Low	61 Å²	61	55.6 Å²	55.6	40%	0.396	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-61.8	142.9	176.2	26.6	-33.3	0	0	0	110.7	R378	P349-R378 HydrophobicContact CG-CB 4.47Å; P349-R378 HydrophobicContact CG-CG 4.38Å
350	G	67.3	Low	68.2	Low	28 Å²	28	54.6 Å²	54.6	29%	0.289	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-57.3	153.5	179	0	0	0	0	0	113	G379	G350-G379 PolarHBondContact O-N 3.37Å
351	L	74.8	Confident	70.1	Confident	75 Å²	75	50.2 Å²	50.2	39%	0.393	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	153.9	175.6	-68.7	176.8	0	0	0	111.5	V376 G377	L351-V376 HydrophobicContact CB-CG1 4.44Å; L351-V376 HydrophobicContact CD1-CG1 4.41Å; L351-V376 HydrophobicContact CD2-CG1 4.44Å; L351-G377 CarbonylContact C-O 3.5Å; L351-G377 WeakPolarHBondContact CA-O 2.95Å
352	A	76.8	Confident	72.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.6	-174.6	0	0	0	0	0	110.5	P336 V376 G377 L383	P336-A352 HydrophobicContact CB-CB 3.18Å; P336-A352 HydrophobicContact CG-CB 3.53Å; A352-V376 VanDerWaalsContact O-CA 3.3Å; A352-V376 WeakPolarHBondContact O-CA 3.41Å; A352-G377 PolarHBondContact N-O 3.36Å; A352-G377 PolarHBondContact O-N 3.07Å; A352-G377 VanDerWaalsContact O-N 3.07Å; A352-L383 HydrophobicContact CB-CD1 3.54Å; A352-L383 WeakPolarHBondContact O-CD1 3.46Å
353	V	84.5	Confident	74	Confident	6 Å²	6	43.4 Å²	43.4	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.4	178	-174.7	0	0	0	0	110.7	I355 C374 G375 V376 A396 C400	V353-I355 HydrophobicContact CG1-CG1 4.12Å; V353-C374 HydrophobicContact CG1-CB 3.98Å; V353-G375 WeakPolarHBondContact CA-O 3.04Å; V353-V376 HydrophobicContact CG2-CG2 4.4Å; V353-A396 HydrophobicContact CG1-CB 4.22Å; V353-C400 HydrophobicContact CG2-CB 4.33Å; V353-C400 WeakPolarHBondContact CG2-SG 3.48Å
354	R	86.7	Confident	75.9	Confident	41 Å²	41	38.2 Å²	38.2	16%	0.155	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.8	164.6	-175.6	171.8	179.5	149	1.9	108.3	C374 G375 L383 D451 E467	R354-C374 CarbonylContact O-C 3.56Å; R354-C374 VanDerWaalsContact O-CA 3.26Å; R354-C374 WeakPolarHBondContact O-CA 3.41Å; R354-G375 PolarHBondContact N-O 3.3Å; R354-G375 PolarHBondContact O-N 3.16Å; R354-L383 HydrophobicContact CB-CB 4.09Å; R354-L383 HydrophobicContact CB-CD1 4.34Å; R354-L383 WeakPolarHBondContact CD-O 3.29Å; R354-L383 PolarHBondContact NH1-O 2.82Å; R354-D451 IonicContact CZ-OD2 2.86Å; R354-D451 IonicContact NE-OD2 3.8Å; R354-D451 IonicContact NH2-OD2 3.75Å; R354-D451 PolarHBondContact NH2-OD2 3.43Å; R354-E467 IonicContact NH2-OE2 3.09Å; R354-E467 PolarHBondContact NH2-OE2 2.84Å
355	I	90.2	Very high	77.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.7	-178.8	-56.3	-179.8	0	0	0	108.3	V353 V372 L393 V415 D451 F452 L454	V353-I355 HydrophobicContact CG1-CG1 4.12Å; I355-V372 HydrophobicContact CG2-CG1 3.45Å; I355-V372 VanDerWaalsContact CG2-CG1 3.45Å; I355-L393 HydrophobicContact CD1-CD1 3.7Å; I355-L393 HydrophobicContact CG1-CD1 4.22Å; I355-V415 HydrophobicContact CD1-CG2 3.83Å; I355-V415 HydrophobicContact CG2-CG1 4Å; I355-V415 HydrophobicContact CG2-CG2 4.42Å; I355-D451 CarbonylContact O-C 3.57Å; I355-D451 WeakPolarHBondContact O-CA 3.22Å; I355-F452 HydrophobicContact CB-CB 4.17Å; I355-F452 HydrophobicContact CG2-CD2 4.46Å; I355-F452 PolarHBondContact N-O 3.47Å; I355-F452 PolarHBondContact O-N 2.82Å; I355-L454 HydrophobicContact CD1-CD1 3.79Å; I355-L454 HydrophobicContact CD1-CD2 3.71Å; I355-L454 HydrophobicContact CD1-CG 3.63Å; I355-L454 HydrophobicContact CG1-CG 4.4Å
356	C	90.2	Very high	79.8	Confident	6 Å²	6	40.7 Å²	40.7	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.2	175.7	-44.1	0	0	0	0	107.1	V372 V373 H385	C356-V372 WeakPolarHBondContact O-CA 3.4Å; C356-V373 HydrophobicContact CB-CG2 3.82Å; C356-V373 PolarHBondContact N-O 2.87Å; C356-V373 PolarHBondContact O-N 3.47Å; C356-H385 PolarHBondContact SG-CE1 3.33Å
357	A	92.4	Very high	81.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.7	178.9	0	0	0	0	0	110.3	L369 K371 V372 V415 A419 G449 V450 F452	A357-L369 HydrophobicContact CB-CD1 3.87Å; A357-K371 CarbonylContact C-O 3.41Å; A357-K371 WeakPolarHBondContact CA-O 3.41Å; A357-V372 HydrophobicContact CB-CG2 4.31Å; A357-V415 HydrophobicContact CB-CG1 4.4Å; A357-A419 HydrophobicContact CB-CB 3.9Å; A357-G449 CarbonylContact O-C 3.5Å; A357-G449 VanDerWaalsContact O-CA 3.31Å; A357-G449 WeakPolarHBondContact O-CA 3.36Å; A357-V450 PolarHBondContact N-O 2.64Å; A357-V450 PolarHBondContact O-N 3.02Å; A357-F452 HydrophobicContact CB-CD2 4.41Å; A357-F452 HydrophobicContact CB-CE2 3.89Å
358	V	92.7	Very high	83.9	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.7	169.6	177.2	0	0	0	0	108.2	S370 K371 C473 L474	V358-S370 PolarHBondContact O-N 3.29Å; V358-K371 PolarHBondContact N-O 2.76Å; V358-K371 PolarHBondContact O-N 2.94Å; V358-C473 HydrophobicContact CG2-CB 3.74Å; V358-L474 HydrophobicContact CG1-CD2 4.06Å; V358-L474 HydrophobicContact CG2-CD2 4.34Å
359	V	93.8	Very high	85.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.9	179.3	-170.4	0	0	0	0	108.5	P367 L368 L369 A419 E420 L423 F447 L448	V359-P367 HydrophobicContact CG1-CB 3.96Å; V359-L368 CarbonylContact C-O 3.52Å; V359-L368 WeakPolarHBondContact CA-O 3.48Å; V359-L368 WeakPolarHBondContact CG1-O 3.36Å; V359-L369 HydrophobicContact CG2-CD1 4.05Å; V359-A419 HydrophobicContact CG2-CB 3.37Å; V359-E420 HydrophobicContact CG1-CG 4.27Å; V359-L423 HydrophobicContact CB-CB 4.43Å; V359-L423 HydrophobicContact CB-CD2 4.3Å; V359-L423 HydrophobicContact CG1-CB 3.93Å; V359-L423 HydrophobicContact CG1-CD2 3.68Å; V359-L423 HydrophobicContact CG1-CG 4.47Å; V359-F447 CarbonylContact O-C 3.53Å; V359-F447 VanDerWaalsContact O-CA 3.23Å; V359-F447 WeakPolarHBondContact O-CA 3.35Å; V359-L448 PolarHBondContact N-O 3.35Å; V359-L448 PolarHBondContact O-N 2.76Å
360	C	93.6	Very high	87	Confident	1 Å²	1	30 Å²	30	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	145.5	-178	-56.6	0	0	0	0	110.7	L368 L423 D446 P500	C360-L368 PolarHBondContact N-O 2.75Å; C360-L368 PolarHBondContact O-N 3.04Å; C360-L423 VanDerWaalsContact C-CD2 3.43Å; C360-D446 WeakPolarHBondContact CA-O 3.42Å; C360-P500 HydrophobicContact CB-CB 3.82Å
361	R	92.6	Very high	88	Confident	18 Å²	18	29.8 Å²	29.8	7%	0.068	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	131.6	166.7	-176.7	-178.4	-176.1	154.7	-7	107.4	D365 L423 L427 E430 H444 D446 T504	R361-D365 IonicContact CZ-OD1 3.34Å; R361-D365 IonicContact CZ-OD2 2.97Å; R361-D365 IonicContact NE-OD1 2.61Å; R361-D365 PolarHBondContact NE-OD1 3.33Å; R361-D365 IonicContact NH2-OD1 3.7Å; R361-D365 PolarHBondContact NH2-OD1 3.29Å; R361-D365 IonicContact NH2-OD2 3.55Å; R361-D365 PolarHBondContact NH2-OD2 3.09Å; R361-L423 HydrophobicContact CB-CD2 4.44Å; R361-L427 HydrophobicContact CG-CD1 4.43Å; R361-L427 HydrophobicContact CG-CD2 4.29Å; R361-E430 IonicContact NH1-OE2 3.73Å; R361-H444 VanDerWaalsContact NH1-CB 3.31Å; R361-H444 VanDerWaalsContact NH1-CG 3.28Å; R361-H444 PolarHBondContact NH1-ND1 3.44Å; R361-D446 PolarHBondContact N-O 2.97Å; R361-T504 WeakPolarHBondContact O-CB 3.49Å; R361-T504 PolarHBondContact O-OG1 3.09Å
362	T	87.8	Confident	88.7	Confident	13 Å²	13	26.8 Å²	26.8	8%	0.08	14%	0.143	C	C	.	.			trans	-116.9	-166.1	175.1	64.7	0	0	0	0	110.2	D365 R366 L368 R507	T362-D365 PolarHBondContact O-N 2.8Å; T362-R366 PolarHBondContact N-O 2.86Å; T362-R366 PolarHBondContact OG1-O 3.32Å; T362-L368 HydrophobicContact CG2-CB 3.53Å; T362-L368 HydrophobicContact CG2-CD2 3.84Å; T362-L368 HydrophobicContact CG2-CG 4.34Å; T362-R507 VanDerWaalsContact C-NH2 3.35Å; T362-R507 PolarHBondContact O-NH2 2.84Å
363	Q	80.6	Confident	89.3	Confident	40 Å²	40	26.8 Å²	26.8	19%	0.187	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-66	143.6	-178.9	-178.4	162.2	-2.5	0	0	112	D365	Q363-D365 PolarHBondContact O-N 2.78Å
364	G	81.6	Confident	89.6	Confident	60 Å²	60	26.6 Å²	26.6	62%	0.619	14%	0.141	S	C	*	.	G	3₁₀ helix	trans	67.6	24.7	-175.2	0	0	0	0	0	112.8	R366	G364-R366 PolarHBondContact O-N 3.3Å
365	D	87.8	Confident	89.6	Confident	83 Å²	83	24.9 Å²	24.9	44%	0.444	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	58	32.4	178.7	-57.9	-18.5	0	0	0	113.4	R361 T362 Q363 L427	R361-D365 IonicContact CZ-OD1 3.34Å; R361-D365 IonicContact CZ-OD2 2.97Å; R361-D365 IonicContact NE-OD1 2.61Å; R361-D365 PolarHBondContact NE-OD1 3.33Å; R361-D365 IonicContact NH2-OD1 3.7Å; R361-D365 PolarHBondContact NH2-OD1 3.29Å; R361-D365 IonicContact NH2-OD2 3.55Å; R361-D365 PolarHBondContact NH2-OD2 3.09Å; T362-D365 PolarHBondContact O-N 2.8Å; Q363-D365 PolarHBondContact O-N 2.78Å; D365-L427 HydrophobicContact CB-CD1 4.37Å; D365-L427 WeakPolarHBondContact O-CD1 3.48Å
366	R	88.2	Confident	89.4	Confident	154 Å²	154	25.9 Å²	25.9	58%	0.581	14%	0.143	S	C	*	.			trans	-85.6	129.8	178	-64.1	-179.1	-178.7	179.9	1.4	110.3	T362 G364	T362-R366 PolarHBondContact N-O 2.86Å; T362-R366 PolarHBondContact OG1-O 3.32Å; G364-R366 PolarHBondContact O-N 3.3Å
367	P	92.8	Very high	88.9	Confident	29 Å²	29	26.5 Å²	26.5	19%	0.188	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	142.4	171	34	-39	0	0	0	110.5	V359 E420 L423 T424	V359-P367 HydrophobicContact CG1-CB 3.96Å; P367-E420 HydrophobicContact CB-CB 4.06Å; P367-E420 HydrophobicContact CB-CG 4.24Å; P367-E420 WeakPolarHBondContact CB-O 3.27Å; P367-E420 HydrophobicContact CG-CB 3.93Å; P367-E420 HydrophobicContact CG-CG 4.42Å; P367-E420 WeakPolarHBondContact CG-O 3.39Å; P367-L423 HydrophobicContact CB-CB 3.96Å; P367-L423 HydrophobicContact CB-CD2 3.85Å; P367-L423 HydrophobicContact CB-CG 4.1Å; P367-T424 WeakPolarHBondContact CG-OG1 3.41Å
368	L	91.1	Very high	88.1	Confident	37 Å²	37	32.1 Å²	32.1	19%	0.194	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	119.9	172.8	179.3	63.9	0	0	0	109.1	V359 C360 T362 S370 P500	V359-L368 CarbonylContact C-O 3.52Å; V359-L368 WeakPolarHBondContact CA-O 3.48Å; V359-L368 WeakPolarHBondContact CG1-O 3.36Å; C360-L368 PolarHBondContact N-O 2.75Å; C360-L368 PolarHBondContact O-N 3.04Å; T362-L368 HydrophobicContact CG2-CB 3.53Å; T362-L368 HydrophobicContact CG2-CD2 3.84Å; T362-L368 HydrophobicContact CG2-CG 4.34Å; L368-S370 PolarHBondContact O-N 3.3Å; L368-P500 HydrophobicContact CD2-CB 4.13Å; L368-P500 HydrophobicContact CD2-CG 4.14Å
369	L	92.3	Very high	87	Confident	28 Å²	28	32.8 Å²	32.8	15%	0.147	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	120.3	168.8	176.8	73.2	0	0	0	109.5	A357 V359 V372 K416 A419 E420	A357-L369 HydrophobicContact CB-CD1 3.87Å; V359-L369 HydrophobicContact CG2-CD1 4.05Å; L369-V372 HydrophobicContact CD1-CG2 3.81Å; L369-V372 HydrophobicContact CD2-CG2 3.72Å; L369-V372 HydrophobicContact CG-CG2 4.21Å; L369-K416 HydrophobicContact CB-CG 4Å; L369-K416 HydrophobicContact CD2-CB 3.65Å; L369-K416 HydrophobicContact CD2-CD 4.42Å; L369-K416 HydrophobicContact CD2-CG 3.8Å; L369-A419 HydrophobicContact CD1-CB 4.16Å; L369-E420 HydrophobicContact CB-CG 4.28Å; L369-E420 PolarHBondContact N-OE1 3.46Å; L369-E420 VanDerWaalsContact N-OE1 3.08Å
370	S	89.1	Confident	85.7	Confident	11 Å²	11	37.2 Å²	37.2	8%	0.077	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-51.5	177.6	-179.8	0	0	0	0	112.5	V358 L368 A497 P500	V358-S370 PolarHBondContact O-N 3.29Å; L368-S370 PolarHBondContact O-N 3.3Å; S370-A497 VanDerWaalsContact OG-C 3.26Å; S370-A497 WeakPolarHBondContact OG-CA 3.27Å; S370-A497 PolarHBondContact OG-O 3.46Å; S370-P500 WeakPolarHBondContact OG-CD 3.39Å
371	K	88.4	Confident	84.5	Confident	24 Å²	24	44.8 Å²	44.8	10%	0.104	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149.7	-176.4	-156.7	76.4	173	-167.7	0	112	A357 V358 V373 C477 E495 A497	A357-K371 CarbonylContact C-O 3.41Å; A357-K371 WeakPolarHBondContact CA-O 3.41Å; V358-K371 PolarHBondContact N-O 2.76Å; V358-K371 PolarHBondContact O-N 2.94Å; K371-V373 HydrophobicContact CG-CG1 4.28Å; K371-C477 HydrophobicContact CG-CB 4.4Å; K371-E495 PolarHBondContact NZ-O 3.25Å; K371-A497 HydrophobicContact CB-CB 3.5Å; K371-A497 VanDerWaalsContact CB-CB 3.5Å; K371-A497 HydrophobicContact CD-CB 4.33Å; K371-A497 HydrophobicContact CG-CB 3.85Å
372	V	90	Very high	83.2	Confident	11 Å²	11	48.2 Å²	48.2	7%	0.067	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.1	171.1	-178.5	0	0	0	0	108.5	I355 C356 A357 L369 L393 V415	I355-V372 HydrophobicContact CG2-CG1 3.45Å; I355-V372 VanDerWaalsContact CG2-CG1 3.45Å; C356-V372 WeakPolarHBondContact O-CA 3.4Å; A357-V372 HydrophobicContact CB-CG2 4.31Å; L369-V372 HydrophobicContact CD1-CG2 3.81Å; L369-V372 HydrophobicContact CD2-CG2 3.72Å; L369-V372 HydrophobicContact CG-CG2 4.21Å; V372-L393 HydrophobicContact CG1-CB 4.31Å; V372-L393 HydrophobicContact CG1-CD2 4.48Å; V372-V415 HydrophobicContact CG1-CG1 4.22Å; V372-V415 HydrophobicContact CG2-CG1 4.02Å
373	V	90	Very high	82.5	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.6	173.5	-60.8	0	0	0	0	110.3	C356 K371 P390 R391 A476 C477 L480	C356-V373 HydrophobicContact CB-CG2 3.82Å; C356-V373 PolarHBondContact N-O 2.87Å; C356-V373 PolarHBondContact O-N 3.47Å; K371-V373 HydrophobicContact CG-CG1 4.28Å; V373-P390 HydrophobicContact CB-CB 4.34Å; V373-R391 CarbonylContact C-O 3.44Å; V373-R391 WeakPolarHBondContact CA-O 3.21Å; V373-A476 HydrophobicContact CG2-CB 3.82Å; V373-C477 HydrophobicContact CG1-CB 4.38Å; V373-L480 HydrophobicContact CB-CD2 4.41Å; V373-L480 HydrophobicContact CG1-CB 4.21Å; V373-L480 HydrophobicContact CG1-CD2 3.5Å; V373-L480 VanDerWaalsContact CG1-CD2 3.5Å; V373-L480 HydrophobicContact CG1-CG 4.5Å
374	C	89.1	Confident	82.2	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.007	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.8	-175.4	-66	0	0	0	0	110.6	V353 R354 P390 R391 L393 A396	V353-C374 HydrophobicContact CG1-CB 3.98Å; R354-C374 CarbonylContact O-C 3.56Å; R354-C374 VanDerWaalsContact O-CA 3.26Å; R354-C374 WeakPolarHBondContact O-CA 3.41Å; C374-P390 CarbonylContact O-C 3.56Å; C374-P390 WeakPolarHBondContact O-CA 3.4Å; C374-R391 PolarHBondContact N-O 2.71Å; C374-R391 PolarHBondContact O-N 3.08Å; C374-L393 VanDerWaalsContact SG-CD1 3.53Å; C374-A396 HydrophobicContact CB-CB 3.39Å
375	G	87.5	Confident	81.6	Confident	6 Å²	6	51.3 Å²	51.3	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.4	163.8	0	0	0	0	0	109.8	V353 R354 S388	V353-G375 WeakPolarHBondContact CA-O 3.04Å; R354-G375 PolarHBondContact N-O 3.3Å; R354-G375 PolarHBondContact O-N 3.16Å; G375-S388 VanDerWaalsContact CA-OG 3.22Å; G375-S388 WeakPolarHBondContact CA-OG 3.26Å
376	V	85.1	Confident	80.9	Confident	20 Å²	20	53.4 Å²	53.4	12%	0.121	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.4	176.3	-173.9	0	0	0	0	109.7	L351 A352 V353 A396	L351-V376 HydrophobicContact CB-CG1 4.44Å; L351-V376 HydrophobicContact CD1-CG1 4.41Å; L351-V376 HydrophobicContact CD2-CG1 4.44Å; A352-V376 VanDerWaalsContact O-CA 3.3Å; A352-V376 WeakPolarHBondContact O-CA 3.41Å; V353-V376 HydrophobicContact CG2-CG2 4.4Å; V376-A396 HydrophobicContact CG2-CB 3.55Å
377	G	81.5	Confident	80.3	Confident	20 Å²	20	51.7 Å²	51.7	21%	0.206	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-166.8	177.3	0	0	0	0	0	112.6	L351 A352	L351-G377 CarbonylContact C-O 3.5Å; L351-G377 WeakPolarHBondContact CA-O 2.95Å; A352-G377 PolarHBondContact N-O 3.36Å; A352-G377 PolarHBondContact O-N 3.07Å; A352-G377 VanDerWaalsContact O-N 3.07Å
378	R	75.8	Confident	79.6	Confident	117 Å²	117	51.5 Å²	51.5	44%	0.442	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.4	-179.8	-60.1	170.2	53	150	-1.8	110.7	P349 D380 R381	P349-R378 HydrophobicContact CG-CB 4.47Å; P349-R378 HydrophobicContact CG-CG 4.38Å; R378-D380 VanDerWaalsContact C-N 3.25Å; R378-D380 WeakPolarHBondContact CB-OD1 3.36Å; R378-D380 IonicContact CZ-OD1 2.95Å; R378-D380 IonicContact CZ-OD2 3.97Å; R378-D380 IonicContact NE-OD1 2.66Å; R378-D380 PolarHBondContact NE-OD1 3.07Å; R378-D380 IonicContact NE-OD2 3.8Å; R378-D380 IonicContact NH2-OD1 3.52Å; R378-D380 IonicContact NH2-OD2 2.74Å; R378-D380 PolarHBondContact NH2-OD2 3.28Å; R378-D380 PolarHBondContact O-N 3Å; R378-R381 PolarHBondContact O-N 2.82Å
379	G	68	Low	79.2	Confident	15 Å²	15	55.3 Å²	55.3	16%	0.155	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8.9	-178.6	0	0	0	0	0	115.7	G350 R381	G350-G379 PolarHBondContact O-N 3.37Å; G379-R381 VanDerWaalsContact C-N 3.33Å
380	D	67.4	Low	78.9	Confident	92 Å²	92	54.6 Å²	54.6	49%	0.492	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.6	172.3	65.8	-26.2	0	0	0	113.3	R378	R378-D380 VanDerWaalsContact C-N 3.25Å; R378-D380 WeakPolarHBondContact CB-OD1 3.36Å; R378-D380 IonicContact CZ-OD1 2.95Å; R378-D380 IonicContact CZ-OD2 3.97Å; R378-D380 IonicContact NE-OD1 2.66Å; R378-D380 PolarHBondContact NE-OD1 3.07Å; R378-D380 IonicContact NE-OD2 3.8Å; R378-D380 IonicContact NH2-OD1 3.52Å; R378-D380 IonicContact NH2-OD2 2.74Å; R378-D380 PolarHBondContact NH2-OD2 3.28Å; R378-D380 PolarHBondContact O-N 3Å
381	R	67.8	Low	78.8	Confident	161 Å²	161	58.4 Å²	58.4	61%	0.608	29%	0.286	S	S	*	.	S	Bend	trans	-130.8	149.6	-179.6	-66.4	-171.9	178.5	-163.3	-4.1	112	R378 G379 L383	R378-R381 PolarHBondContact O-N 2.82Å; G379-R381 VanDerWaalsContact C-N 3.33Å; R381-L383 PolarHBondContact O-N 3.18Å
382	P	66.5	Low	78.8	Confident	89 Å²	89	59.2 Å²	59.2	58%	0.578	29%	0.293	S	S	*	.			trans	-66.9	130.2	175.2	26	-32.6	0	0	0	111.5
383	L	73	Confident	78.7	Confident	17 Å²	17	58.7 Å²	58.7	9%	0.089	29%	0.29	C	S	.	.			trans	-87.4	122.8	173.4	-81.4	164.9	0	0	0	111.1	P336 A352 R354 R381	P336-L383 HydrophobicContact CB-CD1 4.5Å; P336-L383 HydrophobicContact CG-CD1 4.2Å; A352-L383 HydrophobicContact CB-CD1 3.54Å; A352-L383 WeakPolarHBondContact O-CD1 3.46Å; R354-L383 HydrophobicContact CB-CB 4.09Å; R354-L383 HydrophobicContact CB-CD1 4.34Å; R354-L383 WeakPolarHBondContact CD-O 3.29Å; R354-L383 PolarHBondContact NH1-O 2.82Å; R381-L383 PolarHBondContact O-N 3.18Å
384	R	72.4	Confident	78.6	Confident	132 Å²	132	61.9 Å²	61.9	50%	0.498	31%	0.305	S	S	.	.			trans	-126.7	153.6	176.4	-60.5	-174.3	180	-170.7	1.6	109.7	H386 N387	R384-H386 VanDerWaalsContact C-N 3.3Å; R384-H386 PolarHBondContact O-N 2.79Å; R384-N387 HydrophobicContact CB-CB 4.41Å; R384-N387 PolarHBondContact O-N 2.94Å
385	H	70.1	Confident	78.5	Confident	30 Å²	30	65 Å²	65	14%	0.139	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-48.1	-45.7	-178	-71.5	-85.3	0	0	0	113.8	C356 N387 D451 L472	C356-H385 PolarHBondContact SG-CE1 3.33Å; H385-N387 VanDerWaalsContact C-N 3.34Å; H385-N387 PolarHBondContact O-N 2.77Å; H385-D451 IonicContact CD2-OD2 2.74Å; H385-D451 IonicContact CE1-OD1 3.1Å; H385-D451 PolarHBondContact CE1-OD1 2.88Å; H385-D451 IonicContact CE1-OD2 3.74Å; H385-D451 VanDerWaalsContact NE2-CG 3.33Å; H385-D451 IonicContact NE2-OD1 3.36Å; H385-D451 PolarHBondContact NE2-OD1 2.62Å; H385-D451 IonicContact NE2-OD2 2.71Å; H385-D451 PolarHBondContact NE2-OD2 3.28Å; H385-L472 HydrophobicContact CB-CB 4.26Å; H385-L472 HydrophobicContact CB-CD1 4.33Å
386	H	73.3	Confident	78.5	Confident	127 Å²	127	64.7 Å²	64.7	59%	0.588	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-84.4	-2.9	-177.7	-54.6	-61.1	0	0	0	115	R384 L472 E475	R384-H386 VanDerWaalsContact C-N 3.3Å; R384-H386 PolarHBondContact O-N 2.79Å; H386-L472 WeakPolarHBondContact NE2-CD2 3.28Å; H386-E475 IonicContact CE1-OE1 2.69Å; H386-E475 IonicContact CE1-OE2 3.28Å
387	N	75.3	Confident	78.5	Confident	118 Å²	118	63.8 Å²	63.8	63%	0.631	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-104.9	2.6	-174.3	-65.3	8.6	0	0	0	112.6	R384 H385	R384-N387 HydrophobicContact CB-CB 4.41Å; R384-N387 PolarHBondContact O-N 2.94Å; H385-N387 VanDerWaalsContact C-N 3.34Å; H385-N387 PolarHBondContact O-N 2.77Å
388	S	78.6	Confident	78.6	Confident	24 Å²	24	65.3 Å²	65.3	17%	0.168	33%	0.325	C	S	.	.	S	Bend	trans	-145.1	143	178.2	63	0	0	0	0	110.9	G375	G375-S388 VanDerWaalsContact CA-OG 3.22Å; G375-S388 WeakPolarHBondContact CA-OG 3.26Å
389	L	82.4	Confident	78.8	Confident	117 Å²	117	63.5 Å²	63.5	61%	0.613	32%	0.322	S	S	*	.			trans	-71.3	131.6	170.3	-69.9	173.1	0	0	0	109.8
390	P	86.5	Confident	79.1	Confident	14 Å²	14	63.1 Å²	63.1	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	146.3	178.9	30.1	-35.9	0	0	0	110.7	V373 C374 A476 A479 L480	V373-P390 HydrophobicContact CB-CB 4.34Å; C374-P390 CarbonylContact O-C 3.56Å; C374-P390 WeakPolarHBondContact O-CA 3.4Å; P390-A476 WeakPolarHBondContact CB-O 3.36Å; P390-A476 WeakPolarHBondContact CG-O 3.29Å; P390-A479 HydrophobicContact CG-CB 3.84Å; P390-L480 HydrophobicContact CB-CB 4.1Å; P390-L480 HydrophobicContact CG-CB 3.99Å
391	R	86.9	Confident	79.4	Confident	91 Å²	91	60.8 Å²	60.8	34%	0.343	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	160.4	179	-62.2	-177.3	177.4	-179.8	-3.1	109.9	V373 C374	V373-R391 CarbonylContact C-O 3.44Å; V373-R391 WeakPolarHBondContact CA-O 3.21Å; C374-R391 PolarHBondContact N-O 2.71Å; C374-R391 PolarHBondContact O-N 3.08Å
392	T	88.4	Confident	79.7	Confident	40 Å²	40	54 Å²	54	25%	0.245	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	152.1	167.6	56.6	0	0	0	0	110.4	E394 V395 A396 L480	T392-E394 VanDerWaalsContact C-N 3.3Å; T392-E394 PolarHBondContact O-N 2.98Å; T392-V395 PolarHBondContact O-N 3.13Å; T392-V395 WeakPolarHBondContact OG1-CB 3.22Å; T392-V395 WeakPolarHBondContact OG1-CG2 3.3Å; T392-A396 PolarHBondContact O-N 3.44Å; T392-L480 HydrophobicContact CG2-CD2 4.25Å
393	L	87.8	Confident	80	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-54.2	-44.7	177.6	-178.2	64.5	0	0	0	112.5	I355 V372 C374 V395 A396 L397 V411 R412	I355-L393 HydrophobicContact CD1-CD1 3.7Å; I355-L393 HydrophobicContact CG1-CD1 4.22Å; V372-L393 HydrophobicContact CG1-CB 4.31Å; V372-L393 HydrophobicContact CG1-CD2 4.48Å; C374-L393 VanDerWaalsContact SG-CD1 3.53Å; L393-V395 PolarHBondContact O-N 2.92Å; L393-A396 PolarHBondContact O-N 3.13Å; L393-L397 HydrophobicContact CD1-CD1 3.83Å; L393-L397 HydrophobicContact CD1-CD2 4.41Å; L393-L397 HydrophobicContact CD1-CG 3.96Å; L393-L397 HydrophobicContact CG-CD1 3.84Å; L393-L397 HydrophobicContact CG-CG 4.29Å; L393-L397 WeakPolarHBondContact O-CB 3.46Å; L393-L397 VanDerWaalsContact O-CG 3.28Å; L393-L397 WeakPolarHBondContact O-CG 3.17Å; L393-L397 PolarHBondContact O-N 3.11Å; L393-V411 HydrophobicContact CD1-CG1 4.48Å; L393-R412 HydrophobicContact CD2-CB 3.76Å; L393-R412 HydrophobicContact CD2-CG 4.32Å
394	E	87.8	Confident	80.5	Confident	69 Å²	69	57 Å²	57	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-56.1	-53.5	179.9	-70	61.1	-143.9	0	0	111.3	T392 A396 L397 A398 V408 R412	T392-E394 VanDerWaalsContact C-N 3.3Å; T392-E394 PolarHBondContact O-N 2.98Å; E394-A396 PolarHBondContact O-N 3.4Å; E394-L397 PolarHBondContact O-N 3.29Å; E394-A398 VanDerWaalsContact O-CB 3.29Å; E394-A398 WeakPolarHBondContact O-CB 3.1Å; E394-A398 PolarHBondContact O-N 2.88Å; E394-V408 HydrophobicContact CB-CG1 4.49Å; E394-V408 HydrophobicContact CG-CG1 3.94Å; E394-R412 IonicContact OE1-CZ 2.9Å; E394-R412 IonicContact OE1-NE 3.47Å; E394-R412 PolarHBondContact OE1-NE 2.87Å; E394-R412 IonicContact OE1-NH2 3.6Å; E394-R412 PolarHBondContact OE1-NH2 2.52Å; E394-R412 IonicContact OE2-CZ 2.64Å; E394-R412 IonicContact OE2-NH2 3.59Å; E394-R412 PolarHBondContact OE2-NH2 3.26Å
395	V	86.4	Confident	81.1	Confident	65 Å²	65	59 Å²	59	39%	0.394	33%	0.326	S	S	.	.	H	α-helix	trans	-63.8	-41.2	-179.3	173.1	0	0	0	0	111.4	T392 L393 Q399	T392-V395 PolarHBondContact O-N 3.13Å; T392-V395 WeakPolarHBondContact OG1-CB 3.22Å; T392-V395 WeakPolarHBondContact OG1-CG2 3.3Å; L393-V395 PolarHBondContact O-N 2.92Å; V395-Q399 WeakPolarHBondContact O-CB 3.46Å; V395-Q399 WeakPolarHBondContact O-CG 3.19Å; V395-Q399 PolarHBondContact O-N 3.26Å; V395-Q399 VanDerWaalsContact O-N 3.07Å; V395-Q399 PolarHBondContact O-OE1 3.23Å
396	A	87	Confident	81.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-44.7	179.3	0	0	0	0	0	111.9	V353 C374 V376 T392 L393 E394 Q399 C400	V353-A396 HydrophobicContact CG1-CB 4.22Å; C374-A396 HydrophobicContact CB-CB 3.39Å; V376-A396 HydrophobicContact CG2-CB 3.55Å; T392-A396 PolarHBondContact O-N 3.44Å; L393-A396 PolarHBondContact O-N 3.13Å; E394-A396 PolarHBondContact O-N 3.4Å; A396-Q399 PolarHBondContact O-N 3.24Å; A396-C400 PolarHBondContact O-N 3.2Å
397	L	85.8	Confident	82.2	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-66.6	-42.8	177.5	-66.7	179.1	0	0	0	111.6	L393 E394 Q399 C400 G401 L402 V408 V411 L454	L393-L397 HydrophobicContact CD1-CD1 3.83Å; L393-L397 HydrophobicContact CD1-CD2 4.41Å; L393-L397 HydrophobicContact CD1-CG 3.96Å; L393-L397 HydrophobicContact CG-CD1 3.84Å; L393-L397 HydrophobicContact CG-CG 4.29Å; L393-L397 WeakPolarHBondContact O-CB 3.46Å; L393-L397 VanDerWaalsContact O-CG 3.28Å; L393-L397 WeakPolarHBondContact O-CG 3.17Å; L393-L397 PolarHBondContact O-N 3.11Å; E394-L397 PolarHBondContact O-N 3.29Å; L397-Q399 VanDerWaalsContact C-N 3.31Å; L397-Q399 PolarHBondContact O-N 3.44Å; L397-C400 CarbonylContact O-C 3.56Å; L397-C400 PolarHBondContact O-N 2.99Å; L397-C400 VanDerWaalsContact O-N 3.07Å; L397-G401 PolarHBondContact O-N 2.76Å; L397-L402 CarbonylContact C-O 3.58Å; L397-L402 HydrophobicContact CB-CB 4.14Å; L397-L402 HydrophobicContact CD2-CD1 4.15Å; L397-L402 PolarHBondContact O-N 3.28Å; L397-V408 HydrophobicContact CB-CG2 4.29Å; L397-V408 HydrophobicContact CD1-CB 4.37Å; L397-V408 HydrophobicContact CD1-CG1 4.14Å; L397-V408 HydrophobicContact CD1-CG2 4.06Å; L397-V411 HydrophobicContact CD1-CB 4.14Å; L397-V411 HydrophobicContact CD1-CG1 4.03Å; L397-L454 HydrophobicContact CD2-CD1 3.72Å
398	A	83.6	Confident	82.7	Confident	52 Å²	52	53.5 Å²	53.5	43%	0.43	31%	0.309	S	S	.	.	H	α-helix	trans	-60	-40.2	177.4	0	0	0	0	0	112.3	E394 C400 G401 L402	E394-A398 VanDerWaalsContact O-CB 3.29Å; E394-A398 WeakPolarHBondContact O-CB 3.1Å; E394-A398 PolarHBondContact O-N 2.88Å; A398-C400 PolarHBondContact O-N 3.14Å; A398-G401 PolarHBondContact O-N 3.1Å; A398-L402 WeakPolarHBondContact CA-O 3.48Å; A398-L402 PolarHBondContact N-O 3.14Å
399	Q	78.8	Confident	83.1	Confident	79 Å²	79	55 Å²	55	37%	0.369	32%	0.323	S	S	.	.	H	α-helix	trans	-67.4	-26	176.9	-75.6	167.5	-13.5	0	0	113.6	V395 A396 L397 G401	V395-Q399 WeakPolarHBondContact O-CB 3.46Å; V395-Q399 WeakPolarHBondContact O-CG 3.19Å; V395-Q399 PolarHBondContact O-N 3.26Å; V395-Q399 VanDerWaalsContact O-N 3.07Å; V395-Q399 PolarHBondContact O-OE1 3.23Å; A396-Q399 PolarHBondContact O-N 3.24Å; L397-Q399 VanDerWaalsContact C-N 3.31Å; L397-Q399 PolarHBondContact O-N 3.44Å; Q399-G401 VanDerWaalsContact C-N 3.27Å
400	C	74.4	Confident	83.3	Confident	8 Å²	8	51 Å²	51	5%	0.054	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	8.2	172.5	-65.5	0	0	0	0	112.6	L339 V353 A396 L397 A398	L339-C400 HydrophobicContact CB-CB 4.12Å; L339-C400 WeakPolarHBondContact CB-O 3.39Å; L339-C400 HydrophobicContact CD1-CB 3.43Å; L339-C400 VanDerWaalsContact CD1-CB 3.43Å; L339-C400 HydrophobicContact CG-CB 4.3Å; V353-C400 HydrophobicContact CG2-CB 4.33Å; V353-C400 WeakPolarHBondContact CG2-SG 3.48Å; A396-C400 PolarHBondContact O-N 3.2Å; L397-C400 CarbonylContact O-C 3.56Å; L397-C400 PolarHBondContact O-N 2.99Å; L397-C400 VanDerWaalsContact O-N 3.07Å; A398-C400 PolarHBondContact O-N 3.14Å
401	G	73.8	Confident	83.5	Confident	42 Å²	42	50.5 Å²	50.5	43%	0.433	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	6.8	175.8	0	0	0	0	0	115.3	L397 A398 Q399	L397-G401 PolarHBondContact O-N 2.76Å; A398-G401 PolarHBondContact O-N 3.1Å; Q399-G401 VanDerWaalsContact C-N 3.27Å
402	L	75.8	Confident	83.7	Confident	20 Å²	20	50.9 Å²	50.9	11%	0.105	31%	0.305	C	S	.	.			trans	-105.6	88.3	173.5	-66.1	175.3	0	0	0	111.1	L339 L397 A398 L461	L339-L402 HydrophobicContact CB-CG 4.46Å; L339-L402 HydrophobicContact CD1-CD1 3.25Å; L339-L402 HydrophobicContact CD1-CG 3.65Å; L339-L402 HydrophobicContact CD2-CD1 3.49Å; L339-L402 VanDerWaalsContact CD2-CD1 3.49Å; L339-L402 HydrophobicContact CD2-CD2 4.17Å; L339-L402 HydrophobicContact CD2-CG 3.84Å; L339-L402 HydrophobicContact CG-CD1 3.92Å; L339-L402 HydrophobicContact CG-CG 4.15Å; L397-L402 CarbonylContact C-O 3.58Å; L397-L402 HydrophobicContact CB-CB 4.14Å; L397-L402 HydrophobicContact CD2-CD1 4.15Å; L397-L402 PolarHBondContact O-N 3.28Å; A398-L402 WeakPolarHBondContact CA-O 3.48Å; A398-L402 PolarHBondContact N-O 3.14Å; L402-L461 HydrophobicContact CD1-CD1 3.2Å; L402-L461 HydrophobicContact CD2-CD1 4.32Å; L402-L461 HydrophobicContact CG-CD1 4.38Å
403	G	72.5	Confident	83.8	Confident	58 Å²	58	54.6 Å²	54.6	60%	0.598	32%	0.32	S	S	*	.			trans	-101	-8.2	179.7	0	0	0	0	0	115.3	E405	G403-E405 PolarHBondContact O-N 2.72Å
404	E	83.8	Confident	83.9	Confident	111 Å²	111	58.4 Å²	58.4	52%	0.519	33%	0.334	S	S	.	.			trans	-70.8	120.7	-175.4	-167.6	-173	172.8	0	0	111	A406 Q407 V408	E404-A406 VanDerWaalsContact C-N 3.27Å; E404-A406 PolarHBondContact O-N 3.48Å; E404-Q407 HydrophobicContact CB-CB 4.3Å; E404-Q407 HydrophobicContact CB-CG 4.05Å; E404-Q407 HydrophobicContact CG-CG 4.4Å; E404-Q407 PolarHBondContact O-N 3.46Å; E404-Q407 WeakPolarHBondContact OE2-CG 3.47Å; E404-Q407 PolarHBondContact OE2-NE2 3.11Å; E404-V408 PolarHBondContact O-N 3.11Å
405	E	83.7	Confident	84.2	Confident	172 Å²	172	55.1 Å²	55.1	80%	0.804	32%	0.319	S	S	*	.	H	α-helix	trans	-54.6	-41.1	-175	-69.9	-172.2	161.9	0	0	112.9	G403 Q407 V408 A409	G403-E405 PolarHBondContact O-N 2.72Å; E405-Q407 VanDerWaalsContact C-N 3.35Å; E405-Q407 PolarHBondContact O-N 3.29Å; E405-V408 PolarHBondContact O-N 3.44Å; E405-A409 VanDerWaalsContact O-CB 3.26Å; E405-A409 WeakPolarHBondContact O-CB 3.45Å; E405-A409 PolarHBondContact O-N 2.74Å
406	A	84.7	Confident	84.5	Confident	65 Å²	65	55.5 Å²	55.5	54%	0.537	32%	0.315	S	S	.	.	H	α-helix	trans	-63.8	-38.7	179.1	0	0	0	0	0	112.5	E404 A410	E404-A406 VanDerWaalsContact C-N 3.27Å; E404-A406 PolarHBondContact O-N 3.48Å; A406-A410 WeakPolarHBondContact O-CB 3.39Å; A406-A410 PolarHBondContact O-N 3.5Å
407	Q	82.6	Confident	84.8	Confident	83 Å²	83	57.9 Å²	57.9	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-71.8	-43	178.1	-63.7	-176	5.3	0	0	111.3	E404 E405 A409 A410 V411	E404-Q407 HydrophobicContact CB-CB 4.3Å; E404-Q407 HydrophobicContact CB-CG 4.05Å; E404-Q407 HydrophobicContact CG-CG 4.4Å; E404-Q407 PolarHBondContact O-N 3.46Å; E404-Q407 WeakPolarHBondContact OE2-CG 3.47Å; E404-Q407 PolarHBondContact OE2-NE2 3.11Å; E405-Q407 VanDerWaalsContact C-N 3.35Å; E405-Q407 PolarHBondContact O-N 3.29Å; Q407-A409 VanDerWaalsContact C-N 3.34Å; Q407-A409 PolarHBondContact O-N 3.31Å; Q407-A410 PolarHBondContact O-N 3.13Å; Q407-V411 WeakPolarHBondContact O-CG2 3.43Å; Q407-V411 PolarHBondContact O-N 2.83Å
408	V	85.6	Confident	85.1	Confident	13 Å²	13	57.9 Å²	57.9	8%	0.079	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-44.1	175.9	173.8	0	0	0	0	110.7	E394 L397 E404 E405 A410 V411 R412	E394-V408 HydrophobicContact CB-CG1 4.49Å; E394-V408 HydrophobicContact CG-CG1 3.94Å; L397-V408 HydrophobicContact CB-CG2 4.29Å; L397-V408 HydrophobicContact CD1-CB 4.37Å; L397-V408 HydrophobicContact CD1-CG1 4.14Å; L397-V408 HydrophobicContact CD1-CG2 4.06Å; E404-V408 PolarHBondContact O-N 3.11Å; E405-V408 PolarHBondContact O-N 3.44Å; V408-A410 VanDerWaalsContact C-N 3.34Å; V408-A410 PolarHBondContact O-N 2.92Å; V408-V411 PolarHBondContact O-N 3.31Å; V408-R412 WeakPolarHBondContact O-CB 3.48Å; V408-R412 PolarHBondContact O-N 3.48Å
409	A	86.5	Confident	85.7	Confident	54 Å²	54	55.4 Å²	55.4	45%	0.446	32%	0.315	S	S	.	.	H	α-helix	trans	-61.2	-41.4	175.2	0	0	0	0	0	112	E405 Q407 R412 Q413	E405-A409 VanDerWaalsContact O-CB 3.26Å; E405-A409 WeakPolarHBondContact O-CB 3.45Å; E405-A409 PolarHBondContact O-N 2.74Å; Q407-A409 VanDerWaalsContact C-N 3.34Å; Q407-A409 PolarHBondContact O-N 3.31Å; A409-R412 PolarHBondContact O-N 2.95Å; A409-Q413 WeakPolarHBondContact O-CB 3.36Å; A409-Q413 PolarHBondContact O-N 2.97Å
410	A	87.9	Confident	86.4	Confident	35 Å²	35	53.5 Å²	53.5	29%	0.289	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-42.9	176	0	0	0	0	0	112.4	A406 Q407 V408 Q413 R414	A406-A410 WeakPolarHBondContact O-CB 3.39Å; A406-A410 PolarHBondContact O-N 3.5Å; Q407-A410 PolarHBondContact O-N 3.13Å; V408-A410 VanDerWaalsContact C-N 3.34Å; V408-A410 PolarHBondContact O-N 2.92Å; A410-Q413 PolarHBondContact O-N 3.37Å; A410-R414 WeakPolarHBondContact O-CG 3.4Å; A410-R414 PolarHBondContact O-N 2.52Å
411	V	88.9	Confident	87.3	Confident	3 Å²	3	54 Å²	54	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-63.4	-46.9	175.3	173.7	0	0	0	0	110.6	L393 L397 Q407 V408 Q413 R414 V415 L454 L461	L393-V411 HydrophobicContact CD1-CG1 4.48Å; L397-V411 HydrophobicContact CD1-CB 4.14Å; L397-V411 HydrophobicContact CD1-CG1 4.03Å; Q407-V411 WeakPolarHBondContact O-CG2 3.43Å; Q407-V411 PolarHBondContact O-N 2.83Å; V408-V411 PolarHBondContact O-N 3.31Å; V411-Q413 VanDerWaalsContact C-N 3.31Å; V411-Q413 PolarHBondContact O-N 3.34Å; V411-R414 PolarHBondContact O-N 2.9Å; V411-V415 HydrophobicContact CG1-CG2 4.26Å; V411-V415 WeakPolarHBondContact O-CG2 3.38Å; V411-V415 PolarHBondContact O-N 3.29Å; V411-L454 HydrophobicContact CG1-CD1 4.42Å; V411-L454 HydrophobicContact CG1-CD2 3.99Å; V411-L461 HydrophobicContact CG2-CB 3.86Å; V411-L461 HydrophobicContact CG2-CD1 3.94Å
412	R	90.9	Very high	88.3	Confident	98 Å²	98	52.1 Å²	52.1	37%	0.37	29%	0.29	S	S	.	.	H	α-helix	trans	-55	-46.4	176.3	178	176.8	-83.4	-84.1	2	111.6	L393 E394 V408 A409 R414 V415 K416	L393-R412 HydrophobicContact CD2-CB 3.76Å; L393-R412 HydrophobicContact CD2-CG 4.32Å; E394-R412 IonicContact OE1-CZ 2.9Å; E394-R412 IonicContact OE1-NE 3.47Å; E394-R412 PolarHBondContact OE1-NE 2.87Å; E394-R412 IonicContact OE1-NH2 3.6Å; E394-R412 PolarHBondContact OE1-NH2 2.52Å; E394-R412 IonicContact OE2-CZ 2.64Å; E394-R412 IonicContact OE2-NH2 3.59Å; E394-R412 PolarHBondContact OE2-NH2 3.26Å; V408-R412 WeakPolarHBondContact O-CB 3.48Å; V408-R412 PolarHBondContact O-N 3.48Å; A409-R412 PolarHBondContact O-N 2.95Å; R412-R414 PolarHBondContact O-N 2.69Å; R412-V415 PolarHBondContact O-N 3.08Å; R412-K416 WeakPolarHBondContact O-CB 3.23Å; R412-K416 PolarHBondContact O-N 3.36Å
413	Q	90.6	Very high	89.2	Confident	118 Å²	118	51.1 Å²	51.1	55%	0.551	29%	0.286	S	S	*	.	H	α-helix	trans	-65.2	-37.9	179.3	-174	62.3	8.5	0	0	112.5	A409 A410 V411 K416 A417	A409-Q413 WeakPolarHBondContact O-CB 3.36Å; A409-Q413 PolarHBondContact O-N 2.97Å; A410-Q413 PolarHBondContact O-N 3.37Å; V411-Q413 VanDerWaalsContact C-N 3.31Å; V411-Q413 PolarHBondContact O-N 3.34Å; Q413-K416 PolarHBondContact O-N 3.05Å; Q413-A417 WeakPolarHBondContact O-CB 3.45Å; Q413-A417 PolarHBondContact O-N 2.88Å
414	R	91.6	Very high	90.2	Very high	80 Å²	80	51.1 Å²	51.1	30%	0.302	27%	0.274	S	S	.	.	H	α-helix	trans	-69.3	-42.2	175.7	-70.6	175.6	-167.5	142.1	10.3	112.4	A410 V411 R412 K416 A417 A418 M460 L461 P463	A410-R414 WeakPolarHBondContact O-CG 3.4Å; A410-R414 PolarHBondContact O-N 2.52Å; V411-R414 PolarHBondContact O-N 2.9Å; R412-R414 PolarHBondContact O-N 2.69Å; R414-K416 VanDerWaalsContact C-N 3.31Å; R414-K416 PolarHBondContact O-N 3.49Å; R414-A417 PolarHBondContact O-N 2.95Å; R414-A418 WeakPolarHBondContact O-CB 3.28Å; R414-A418 PolarHBondContact O-N 3.5Å; R414-M460 PolarHBondContact NH2-SD 3.31Å; R414-L461 WeakPolarHBondContact CD-O 3.44Å; R414-L461 PolarHBondContact NH1-O 3.26Å; R414-P463 HydrophobicContact CB-CG 4.13Å
415	V	92.8	Very high	90.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-44.9	174.5	170.6	0	0	0	0	109.9	I355 A357 V372 V411 R412 A418 A419 F452 P463	I355-V415 HydrophobicContact CD1-CG2 3.83Å; I355-V415 HydrophobicContact CG2-CG1 4Å; I355-V415 HydrophobicContact CG2-CG2 4.42Å; A357-V415 HydrophobicContact CB-CG1 4.4Å; V372-V415 HydrophobicContact CG1-CG1 4.22Å; V372-V415 HydrophobicContact CG2-CG1 4.02Å; V411-V415 HydrophobicContact CG1-CG2 4.26Å; V411-V415 WeakPolarHBondContact O-CG2 3.38Å; V411-V415 PolarHBondContact O-N 3.29Å; R412-V415 PolarHBondContact O-N 3.08Å; V415-A418 PolarHBondContact O-N 3.29Å; V415-A419 VanDerWaalsContact O-CB 3.23Å; V415-A419 WeakPolarHBondContact O-CB 2.91Å; V415-A419 PolarHBondContact O-N 3.5Å; V415-F452 HydrophobicContact CG1-CD2 4.35Å; V415-F452 HydrophobicContact CG1-CE2 4.25Å; V415-P463 HydrophobicContact CG2-CB 4.04Å; V415-P463 HydrophobicContact CG2-CG 4.23Å
416	K	93.1	Very high	90.9	Very high	73 Å²	73	38.1 Å²	38.1	32%	0.317	21%	0.214	S	C	.	.	H	α-helix	trans	-56.4	-55.5	174.3	179.1	179	177.5	-179.9	0	111.9	L369 R412 Q413 R414 A418 A419 E420	L369-K416 HydrophobicContact CB-CG 4Å; L369-K416 HydrophobicContact CD2-CB 3.65Å; L369-K416 HydrophobicContact CD2-CD 4.42Å; L369-K416 HydrophobicContact CD2-CG 3.8Å; R412-K416 WeakPolarHBondContact O-CB 3.23Å; R412-K416 PolarHBondContact O-N 3.36Å; Q413-K416 PolarHBondContact O-N 3.05Å; R414-K416 VanDerWaalsContact C-N 3.31Å; R414-K416 PolarHBondContact O-N 3.49Å; K416-A418 VanDerWaalsContact C-N 3.32Å; K416-A418 PolarHBondContact O-N 2.87Å; K416-A419 PolarHBondContact O-N 3.14Å; K416-E420 WeakPolarHBondContact CE-OE1 3.47Å; K416-E420 WeakPolarHBondContact CE-OE2 3.35Å; K416-E420 HydrophobicContact CG-CG 4.46Å; K416-E420 WeakPolarHBondContact O-CB 3.39Å; K416-E420 WeakPolarHBondContact O-CG 3.48Å; K416-E420 PolarHBondContact O-N 2.9Å
417	A	92.8	Very high	91.3	Very high	51 Å²	51	36 Å²	36	42%	0.421	19%	0.193	S	C	.	.	H	α-helix	trans	-58.7	-43.7	-178.6	0	0	0	0	0	112.1	Q413 R414 A421	Q413-A417 WeakPolarHBondContact O-CB 3.45Å; Q413-A417 PolarHBondContact O-N 2.88Å; R414-A417 PolarHBondContact O-N 2.95Å; A417-A421 WeakPolarHBondContact O-CB 3.11Å; A417-A421 PolarHBondContact O-N 3.16Å
418	A	93.6	Very high	91.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-40.4	179.1	0	0	0	0	0	112.4	V226 R414 V415 K416 A422 F452 P463	V226-A418 WeakPolarHBondContact CG2-O 3.34Å; R414-A418 WeakPolarHBondContact O-CB 3.28Å; R414-A418 PolarHBondContact O-N 3.5Å; V415-A418 PolarHBondContact O-N 3.29Å; K416-A418 VanDerWaalsContact C-N 3.32Å; K416-A418 PolarHBondContact O-N 2.87Å; A418-A422 WeakPolarHBondContact O-CB 3.42Å; A418-A422 PolarHBondContact O-N 3.34Å; A418-F452 HydrophobicContact CB-CE1 3.75Å; A418-F452 HydrophobicContact CB-CZ 3.91Å; A418-P463 HydrophobicContact CB-CG 4.13Å
419	A	94.6	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.8	-43.1	179.5	0	0	0	0	0	111.4	A357 V359 L369 V415 K416 A422 L423 F452	A357-A419 HydrophobicContact CB-CB 3.9Å; V359-A419 HydrophobicContact CG2-CB 3.37Å; L369-A419 HydrophobicContact CD1-CB 4.16Å; V415-A419 VanDerWaalsContact O-CB 3.23Å; V415-A419 WeakPolarHBondContact O-CB 2.91Å; V415-A419 PolarHBondContact O-N 3.5Å; K416-A419 PolarHBondContact O-N 3.14Å; A419-A422 WeakPolarHBondContact O-CB 3.31Å; A419-A422 PolarHBondContact O-N 2.8Å; A419-L423 PolarHBondContact O-N 3.48Å; A419-F452 HydrophobicContact CB-CE2 3.98Å; A419-F452 HydrophobicContact CB-CZ 3.96Å
420	E	94.8	Very high	92.2	Very high	39 Å²	39	33.1 Å²	33.1	18%	0.182	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-41.7	175.3	-73.1	174.6	173.7	0	0	111.4	V359 P367 L369 K416 A422 L423 T424	V359-E420 HydrophobicContact CG1-CG 4.27Å; P367-E420 HydrophobicContact CB-CB 4.06Å; P367-E420 HydrophobicContact CB-CG 4.24Å; P367-E420 WeakPolarHBondContact CB-O 3.27Å; P367-E420 HydrophobicContact CG-CB 3.93Å; P367-E420 HydrophobicContact CG-CG 4.42Å; P367-E420 WeakPolarHBondContact CG-O 3.39Å; L369-E420 HydrophobicContact CB-CG 4.28Å; L369-E420 PolarHBondContact N-OE1 3.46Å; L369-E420 VanDerWaalsContact N-OE1 3.08Å; K416-E420 WeakPolarHBondContact CE-OE1 3.47Å; K416-E420 WeakPolarHBondContact CE-OE2 3.35Å; K416-E420 HydrophobicContact CG-CG 4.46Å; K416-E420 WeakPolarHBondContact O-CB 3.39Å; K416-E420 WeakPolarHBondContact O-CG 3.48Å; K416-E420 PolarHBondContact O-N 2.9Å; E420-A422 VanDerWaalsContact C-N 3.31Å; E420-A422 PolarHBondContact O-N 3.42Å; E420-L423 PolarHBondContact O-N 2.89Å; E420-T424 PolarHBondContact O-N 2.98Å; E420-T424 PolarHBondContact O-OG1 3.06Å; E420-T424 VanDerWaalsContact O-OG1 3.09Å
421	A	93.8	Very high	92.3	Very high	19 Å²	19	35.7 Å²	35.7	16%	0.157	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-35.4	173.7	0	0	0	0	0	112.7	V226 A417 T424 A425	V226-A421 HydrophobicContact CG2-CB 3.58Å; A417-A421 WeakPolarHBondContact O-CB 3.11Å; A417-A421 PolarHBondContact O-N 3.16Å; A421-T424 WeakPolarHBondContact O-CB 3.4Å; A421-T424 PolarHBondContact O-N 3.33Å; A421-A425 PolarHBondContact O-N 2.78Å
422	A	93.8	Very high	92.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-44	176	0	0	0	0	0	112.4	L220 A418 A419 E420 A425 M426 L448 V450	L220-A422 VanDerWaalsContact CD2-CA 3.45Å; L220-A422 HydrophobicContact CD2-CB 3.47Å; L220-A422 VanDerWaalsContact CD2-CB 3.47Å; A418-A422 WeakPolarHBondContact O-CB 3.42Å; A418-A422 PolarHBondContact O-N 3.34Å; A419-A422 WeakPolarHBondContact O-CB 3.31Å; A419-A422 PolarHBondContact O-N 2.8Å; E420-A422 VanDerWaalsContact C-N 3.31Å; E420-A422 PolarHBondContact O-N 3.42Å; A422-A425 VanDerWaalsContact O-CB 3.31Å; A422-A425 WeakPolarHBondContact O-CB 3.5Å; A422-A425 PolarHBondContact O-N 2.83Å; A422-M426 PolarHBondContact O-N 2.99Å; A422-L448 HydrophobicContact CB-CD2 4.18Å; A422-V450 HydrophobicContact CB-CG2 4.03Å
423	L	93.9	Very high	92.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-68.3	-38.9	174.4	-179.4	59.3	0	0	0	111.4	V359 C360 R361 P367 A419 E420 A425 M426 L427 L448	V359-L423 HydrophobicContact CB-CB 4.43Å; V359-L423 HydrophobicContact CB-CD2 4.3Å; V359-L423 HydrophobicContact CG1-CB 3.93Å; V359-L423 HydrophobicContact CG1-CD2 3.68Å; V359-L423 HydrophobicContact CG1-CG 4.47Å; C360-L423 VanDerWaalsContact C-CD2 3.43Å; R361-L423 HydrophobicContact CB-CD2 4.44Å; P367-L423 HydrophobicContact CB-CB 3.96Å; P367-L423 HydrophobicContact CB-CD2 3.85Å; P367-L423 HydrophobicContact CB-CG 4.1Å; A419-L423 PolarHBondContact O-N 3.48Å; E420-L423 PolarHBondContact O-N 2.89Å; L423-A425 VanDerWaalsContact C-N 3.28Å; L423-A425 PolarHBondContact O-N 3.4Å; L423-M426 WeakPolarHBondContact O-CB 3.41Å; L423-M426 PolarHBondContact O-N 3.21Å; L423-M426 VanDerWaalsContact O-N 3.09Å; L423-L427 HydrophobicContact CD1-CD1 4.47Å; L423-L427 HydrophobicContact CD1-CD2 4.43Å; L423-L427 HydrophobicContact CD1-CG 4.15Å; L423-L427 HydrophobicContact CG-CD1 4.07Å; L423-L427 HydrophobicContact CG-CG 4.24Å; L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.47Å; L423-L427 PolarHBondContact O-N 3.29Å; L423-L448 HydrophobicContact CB-CD2 4.41Å; L423-L448 HydrophobicContact CD1-CB 4.19Å
424	T	94.1	Very high	92.5	Very high	58 Å²	58	31.3 Å²	31.3	36%	0.356	21%	0.209	S	C	.	.	H	α-helix	trans	-55.3	-43.3	172.3	-62.1	0	0	0	0	111.9	P367 E420 A421 M426 L427 A428	P367-T424 WeakPolarHBondContact CG-OG1 3.41Å; E420-T424 PolarHBondContact O-N 2.98Å; E420-T424 PolarHBondContact O-OG1 3.06Å; E420-T424 VanDerWaalsContact O-OG1 3.09Å; A421-T424 WeakPolarHBondContact O-CB 3.4Å; A421-T424 PolarHBondContact O-N 3.33Å; T424-M426 VanDerWaalsContact C-N 3.29Å; T424-M426 PolarHBondContact O-N 2.91Å; T424-L427 PolarHBondContact O-N 3.26Å; T424-A428 WeakPolarHBondContact O-CB 3.24Å; T424-A428 PolarHBondContact O-N 2.99Å
425	A	91.8	Very high	92.5	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.025	21%	0.208	C	C	.	.	H	α-helix	trans	-55.5	-46.9	175.7	0	0	0	0	0	111.4	L220 Q223 A421 A422 L423 A428 L429	L220-A425 HydrophobicContact CD2-CB 4.18Å; Q223-A425 HydrophobicContact CG-CB 3.39Å; A421-A425 PolarHBondContact O-N 2.78Å; A422-A425 VanDerWaalsContact O-CB 3.31Å; A422-A425 WeakPolarHBondContact O-CB 3.5Å; A422-A425 PolarHBondContact O-N 2.83Å; L423-A425 VanDerWaalsContact C-N 3.28Å; L423-A425 PolarHBondContact O-N 3.4Å; A425-A428 PolarHBondContact O-N 3.39Å; A425-L429 PolarHBondContact O-N 2.86Å
426	M	91.3	Very high	92.3	Very high	6 Å²	6	36 Å²	36	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-67.4	-42.9	-178.5	-168	64.3	-149.6	0	0	111.6	L206 L209 L210 A422 L423 T424 A428 L429 E430	L206-M426 HydrophobicContact CD2-CE 4.4Å; L209-M426 HydrophobicContact CB-CE 4.39Å; L210-M426 HydrophobicContact CD2-CE 4.21Å; L210-M426 HydrophobicContact CD2-CG 3.98Å; L210-M426 HydrophobicContact CD2-SD 3.48Å; L210-M426 WeakPolarHBondContact CD2-SD 3.39Å; L210-M426 HydrophobicContact CG-CE 4.39Å; L210-M426 HydrophobicContact CG-SD 4.28Å; A422-M426 PolarHBondContact O-N 2.99Å; L423-M426 WeakPolarHBondContact O-CB 3.41Å; L423-M426 PolarHBondContact O-N 3.21Å; L423-M426 VanDerWaalsContact O-N 3.09Å; T424-M426 VanDerWaalsContact C-N 3.29Å; T424-M426 PolarHBondContact O-N 2.91Å; M426-A428 VanDerWaalsContact C-N 3.31Å; M426-A428 PolarHBondContact O-N 2.82Å; M426-L429 HydrophobicContact CE-CD2 4.03Å; M426-L429 WeakPolarHBondContact O-CB 3.47Å; M426-L429 PolarHBondContact O-N 3.03Å; M426-L429 HydrophobicContact SD-CD2 4.28Å; M426-E430 HydrophobicContact CE-CG 3.98Å; M426-E430 WeakPolarHBondContact O-CG 3.48Å; M426-E430 PolarHBondContact O-N 2.69Å
427	L	92.4	Very high	92.2	Very high	21 Å²	21	36.9 Å²	36.9	11%	0.11	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-38.1	177.4	-64.9	175.1	0	0	0	111.7	R361 D365 L423 T424 E430 A431	R361-L427 HydrophobicContact CG-CD1 4.43Å; R361-L427 HydrophobicContact CG-CD2 4.29Å; D365-L427 HydrophobicContact CB-CD1 4.37Å; D365-L427 WeakPolarHBondContact O-CD1 3.48Å; L423-L427 HydrophobicContact CD1-CD1 4.47Å; L423-L427 HydrophobicContact CD1-CD2 4.43Å; L423-L427 HydrophobicContact CD1-CG 4.15Å; L423-L427 HydrophobicContact CG-CD1 4.07Å; L423-L427 HydrophobicContact CG-CG 4.24Å; L423-L427 VanDerWaalsContact O-CG 3.3Å; L423-L427 WeakPolarHBondContact O-CG 3.47Å; L423-L427 PolarHBondContact O-N 3.29Å; T424-L427 PolarHBondContact O-N 3.26Å; L427-E430 PolarHBondContact O-N 2.71Å; L427-A431 PolarHBondContact O-N 3.04Å
428	A	91.1	Very high	92.1	Very high	58 Å²	58	36.3 Å²	36.3	48%	0.479	23%	0.232	S	C	.	.	H	α-helix	trans	-65.2	-41	174.7	0	0	0	0	0	112.1	T424 A425 M426	T424-A428 WeakPolarHBondContact O-CB 3.24Å; T424-A428 PolarHBondContact O-N 2.99Å; A425-A428 PolarHBondContact O-N 3.39Å; M426-A428 VanDerWaalsContact C-N 3.31Å; M426-A428 PolarHBondContact O-N 2.82Å
429	L	89.8	Confident	91.9	Very high	26 Å²	26	36.3 Å²	36.3	14%	0.136	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-50.2	172.1	174.2	64.9	0	0	0	111	L209 L219 L241 A425 M426 A431 G432	L209-L429 HydrophobicContact CD1-CD2 4.44Å; L219-L429 HydrophobicContact CD1-CD2 3.54Å; L219-L429 HydrophobicContact CD2-CB 4.1Å; L219-L429 HydrophobicContact CD2-CD1 4.32Å; L219-L429 HydrophobicContact CD2-CD2 4.1Å; L219-L429 HydrophobicContact CD2-CG 4.4Å; L219-L429 HydrophobicContact CG-CD2 4.44Å; L241-L429 HydrophobicContact CD2-CD1 3.71Å; A425-L429 PolarHBondContact O-N 2.86Å; M426-L429 HydrophobicContact CE-CD2 4.03Å; M426-L429 WeakPolarHBondContact O-CB 3.47Å; M426-L429 PolarHBondContact O-N 3.03Å; M426-L429 HydrophobicContact SD-CD2 4.28Å; L429-A431 PolarHBondContact O-N 2.98Å; L429-G432 PolarHBondContact O-N 2.9Å
430	E	92.1	Very high	91.7	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.023	23%	0.234	C	C	.	.	H	α-helix	trans	-57.1	-36.5	-179.2	-77.9	-174.7	-167.2	0	0	113.1	L206 R361 M426 L427 G432 L433 H444 T445	L206-E430 HydrophobicContact CD2-CG 3.9Å; R361-E430 IonicContact NH1-OE2 3.73Å; M426-E430 HydrophobicContact CE-CG 3.98Å; M426-E430 WeakPolarHBondContact O-CG 3.48Å; M426-E430 PolarHBondContact O-N 2.69Å; L427-E430 PolarHBondContact O-N 2.71Å; E430-G432 PolarHBondContact O-N 2.89Å; E430-L433 PolarHBondContact O-N 2.88Å; E430-L433 VanDerWaalsContact O-N 3.08Å; E430-H444 IonicContact OE2-ND1 3.7Å; E430-T445 WeakPolarHBondContact OE1-CB 3.48Å; E430-T445 PolarHBondContact OE1-N 2.96Å; E430-T445 PolarHBondContact OE1-OG1 3.28Å; E430-T445 PolarHBondContact OE2-N 2.76Å
431	A	91.3	Very high	91.4	Very high	89 Å²	89	39.7 Å²	39.7	74%	0.736	24%	0.244	S	C	*	.	H	α-helix	trans	-62	-26.1	177	0	0	0	0	0	112.8	L427 L429	L427-A431 PolarHBondContact O-N 3.04Å; L429-A431 PolarHBondContact O-N 2.98Å
432	G	89.9	Confident	91.3	Very high	67 Å²	67	40.3 Å²	40.3	69%	0.691	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-6.3	175.3	0	0	0	0	0	114.9	L429 E430	L429-G432 PolarHBondContact O-N 2.9Å; E430-G432 PolarHBondContact O-N 2.89Å
433	L	91.6	Very high	91.2	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.084	24%	0.243	C	C	.	.	S	Bend	trans	-91.6	139.5	-176.2	-61	179.4	0	0	0	112.5	L206 L209 L241 E430 Q437 R438	L206-L433 HydrophobicContact CD2-CD1 4.09Å; L209-L433 HydrophobicContact CD1-CD1 3.54Å; L241-L433 HydrophobicContact CD2-CD2 4.43Å; E430-L433 PolarHBondContact O-N 2.88Å; E430-L433 VanDerWaalsContact O-N 3.08Å; L433-Q437 HydrophobicContact CB-CB 4.05Å; L433-Q437 HydrophobicContact CD2-CB 4.24Å; L433-R438 HydrophobicContact CB-CG 3.71Å; L433-R438 HydrophobicContact CD1-CG 4.13Å
434	S	93	Very high	91.2	Very high	45 Å²	45	42.2 Å²	42.2	32%	0.315	25%	0.251	S	S	.	.			trans	-62.2	163.6	167.4	60.7	0	0	0	0	112.1	E436 Q437 R438	S434-E436 VanDerWaalsContact C-N 3.28Å; S434-E436 PolarHBondContact O-N 3.45Å; S434-Q437 PolarHBondContact O-N 2.77Å; S434-Q437 WeakPolarHBondContact OG-CB 3.4Å; S434-Q437 VanDerWaalsContact OG-CD 3.26Å; S434-Q437 WeakPolarHBondContact OG-CG 3.46Å; S434-Q437 PolarHBondContact OG-N 2.8Å; S434-Q437 PolarHBondContact OG-OE1 3.24Å; S434-R438 WeakPolarHBondContact O-CG 3.31Å; S434-R438 PolarHBondContact O-N 2.86Å; S434-R438 VanDerWaalsContact O-N 3.11Å
435	A	90.6	Very high	91.1	Very high	34 Å²	34	39.7 Å²	39.7	28%	0.281	24%	0.236	S	C	.	.	H	α-helix	trans	-60.5	-39.6	176.7	0	0	0	0	0	111.5	R438 G439 G440 R441	A435-R438 PolarHBondContact O-N 2.94Å; A435-G439 PolarHBondContact O-N 2.91Å; A435-G440 CarbonylContact O-C 3.57Å; A435-G440 WeakPolarHBondContact O-CA 3.3Å; A435-G440 PolarHBondContact O-N 2.81Å; A435-R441 HydrophobicContact CB-CB 4.37Å
436	E	89.6	Confident	91.1	Very high	144 Å²	144	39.5 Å²	39.5	67%	0.673	23%	0.234	S	C	*	.	H	α-helix	trans	-64.7	-42.7	177.4	-60.5	86.2	177.7	0	0	111.6	S434 R438 G439	S434-E436 VanDerWaalsContact C-N 3.28Å; S434-E436 PolarHBondContact O-N 3.45Å; E436-R438 PolarHBondContact O-N 2.95Å; E436-G439 PolarHBondContact O-N 3.4Å
437	Q	89.9	Confident	91.2	Very high	92 Å²	92	40.4 Å²	40.4	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-65.5	-23.8	177	-74.8	169.1	-49.7	0	0	113.2	E205 L433 S434	E205-Q437 VanDerWaalsContact CB-O 3.29Å; E205-Q437 WeakPolarHBondContact CB-O 3.24Å; L433-Q437 HydrophobicContact CB-CB 4.05Å; L433-Q437 HydrophobicContact CD2-CB 4.24Å; S434-Q437 PolarHBondContact O-N 2.77Å; S434-Q437 WeakPolarHBondContact OG-CB 3.4Å; S434-Q437 VanDerWaalsContact OG-CD 3.26Å; S434-Q437 WeakPolarHBondContact OG-CG 3.46Å; S434-Q437 PolarHBondContact OG-N 2.8Å; S434-Q437 PolarHBondContact OG-OE1 3.24Å
438	R	90.6	Very high	91.2	Very high	38 Å²	38	39.6 Å²	39.6	14%	0.143	23%	0.234	C	C	.	.	H	α-helix	trans	-85.7	-10.6	172.7	-66.6	-172.4	-76.2	130	-5.6	112.9	S203 L206 L433 S434 A435 E436 G440 R441 A443 H444	S203-R438 WeakPolarHBondContact CB-O 3.23Å; S203-R438 PolarHBondContact OG-O 3.35Å; L206-R438 HydrophobicContact CD2-CB 4.47Å; L206-R438 HydrophobicContact CD2-CG 4.2Å; L433-R438 HydrophobicContact CB-CG 3.71Å; L433-R438 HydrophobicContact CD1-CG 4.13Å; S434-R438 WeakPolarHBondContact O-CG 3.31Å; S434-R438 PolarHBondContact O-N 2.86Å; S434-R438 VanDerWaalsContact O-N 3.11Å; A435-R438 PolarHBondContact O-N 2.94Å; E436-R438 PolarHBondContact O-N 2.95Å; R438-G440 VanDerWaalsContact C-N 3.34Å; R438-R441 PolarHBondContact NH1-O 3.3Å; R438-R441 PolarHBondContact NH2-O 2.86Å; R438-A443 HydrophobicContact CB-CB 4.28Å; R438-A443 PolarHBondContact NH1-O 2.66Å; R438-A443 VanDerWaalsContact NH1-O 3.13Å; R438-A443 WeakPolarHBondContact O-CB 3.35Å; R438-H444 PolarHBondContact NH1-CE1 2.87Å
439	G	89.1	Confident	91.2	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.021	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	14.3	-172.2	0	0	0	0	0	114	R194 D195 E205 A435 E436	R194-G439 WeakPolarHBondContact CA-O 3.39Å; R194-G439 WeakPolarHBondContact CG-O 3.41Å; D195-G439 PolarHBondContact N-O 3.29Å; E205-G439 VanDerWaalsContact OE2-CA 3.23Å; E205-G439 WeakPolarHBondContact OE2-CA 3.13Å; A435-G439 PolarHBondContact O-N 2.91Å; E436-G439 PolarHBondContact O-N 3.4Å
440	G	90.8	Very high	91.3	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.031	21%	0.205	C	C	.	.	S	Bend	trans	148.2	155.7	176.9	0	0	0	0	0	112.4	A435 R438 R442 A443	A435-G440 CarbonylContact O-C 3.57Å; A435-G440 WeakPolarHBondContact O-CA 3.3Å; A435-G440 PolarHBondContact O-N 2.81Å; R438-G440 VanDerWaalsContact C-N 3.34Å; G440-R442 PolarHBondContact O-N 2.97Å; G440-R442 VanDerWaalsContact O-N 3.13Å; G440-A443 PolarHBondContact O-N 2.8Å; G440-A443 VanDerWaalsContact O-N 3.13Å
441	R	90	Very high	91.2	Very high	106 Å²	106	35.4 Å²	35.4	40%	0.4	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.7	-179.1	178.9	172.8	56.7	147.2	0.7	113.3	E144 A435 R438	E144-R441 VanDerWaalsContact CD-NH2 3.28Å; E144-R441 IonicContact OE1-CZ 2.64Å; E144-R441 IonicContact OE1-NE 3.59Å; E144-R441 PolarHBondContact OE1-NE 2.99Å; E144-R441 IonicContact OE1-NH2 3.24Å; E144-R441 PolarHBondContact OE1-NH2 3.46Å; E144-R441 IonicContact OE2-CZ 3.11Å; E144-R441 IonicContact OE2-NE 3.94Å; E144-R441 IonicContact OE2-NH2 3.91Å; E144-R441 PolarHBondContact OE2-NH2 2.71Å; A435-R441 HydrophobicContact CB-CB 4.37Å; R438-R441 PolarHBondContact NH1-O 3.3Å; R438-R441 PolarHBondContact NH2-O 2.86Å
442	R	90.3	Very high	91.2	Very high	33 Å²	33	31.1 Å²	31.1	13%	0.125	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	15.5	-175.9	-50.6	-177.5	-173.9	-140.3	-7.8	113.7	T197 T200 G440 R508 E515	T197-R442 WeakPolarHBondContact O-CD 3.37Å; T197-R442 PolarHBondContact O-NE 2.85Å; T197-R442 PolarHBondContact O-NH1 2.84Å; T197-R442 VanDerWaalsContact O-NH1 3.08Å; T200-R442 PolarHBondContact N-O 3.3Å; T200-R442 VanDerWaalsContact N-O 3.08Å; G440-R442 PolarHBondContact O-N 2.97Å; G440-R442 VanDerWaalsContact O-N 3.13Å; R442-R508 PolarHBondContact O-NH2 3.2Å; R442-E515 IonicContact CZ-OE1 2.86Å; R442-E515 IonicContact CZ-OE2 3.42Å; R442-E515 IonicContact NH1-OE2 3.91Å; R442-E515 PolarHBondContact NH1-OE2 3.26Å; R442-E515 IonicContact NH2-OE1 2.74Å; R442-E515 PolarHBondContact NH2-OE1 3.46Å; R442-E515 IonicContact NH2-OE2 3.64Å; R442-E515 PolarHBondContact NH2-OE2 3.16Å
443	A	92.8	Very high	91.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.008	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-84.1	128.8	172.6	0	0	0	0	0	110.5	T200 L206 R438 G440	T200-A443 VanDerWaalsContact OG1-CA 3.26Å; T200-A443 WeakPolarHBondContact OG1-CA 3.44Å; T200-A443 WeakPolarHBondContact OG1-CB 3.07Å; L206-A443 HydrophobicContact CD1-CB 4.39Å; R438-A443 HydrophobicContact CB-CB 4.28Å; R438-A443 PolarHBondContact NH1-O 2.66Å; R438-A443 VanDerWaalsContact NH1-O 3.13Å; R438-A443 WeakPolarHBondContact O-CB 3.35Å; G440-A443 PolarHBondContact O-N 2.8Å; G440-A443 VanDerWaalsContact O-N 3.13Å
444	H	92.9	Very high	90.7	Very high	40 Å²	40	27.7 Å²	27.7	19%	0.185	14%	0.135	C	C	.	.			trans	-148.7	150.5	-177.7	-70.4	-52.7	0	0	0	110.2	T200 G201 R361 E430 R438 D446 R508	T200-H444 PolarHBondContact O-N 3Å; G201-H444 CarbonylContact C-O 3.54Å; G201-H444 WeakPolarHBondContact CA-O 3.33Å; R361-H444 VanDerWaalsContact NH1-CB 3.31Å; R361-H444 VanDerWaalsContact NH1-CG 3.28Å; R361-H444 PolarHBondContact NH1-ND1 3.44Å; E430-H444 IonicContact OE2-ND1 3.7Å; R438-H444 PolarHBondContact NH1-CE1 2.87Å; H444-D446 PolarHBondContact O-N 2.74Å; H444-R508 PolarHBondContact CD2-NH2 2.85Å; H444-R508 VanDerWaalsContact CD2-NH2 3.29Å
445	T	91.9	Very high	90	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.025	13%	0.131	C	C	.	.			trans	-79.6	108.1	166.3	-57.2	0	0	0	0	109.2	L210 E430 F447	L210-T445 HydrophobicContact CD1-CG2 4.19Å; E430-T445 WeakPolarHBondContact OE1-CB 3.48Å; E430-T445 PolarHBondContact OE1-N 2.96Å; E430-T445 PolarHBondContact OE1-OG1 3.28Å; E430-T445 PolarHBondContact OE2-N 2.76Å; T445-F447 WeakPolarHBondContact CG2-O 3.27Å
446	D	93	Very high	89.1	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.141	C	C	.	.			trans	-88.7	-17.3	179.8	-79.3	-17.7	0	0	0	113.6	Y174 G201 C360 R361 H444 L501 T504 R508	Y174-D446 VanDerWaalsContact CE2-OD2 3.25Å; Y174-D446 WeakPolarHBondContact CE2-OD2 3.37Å; Y174-D446 VanDerWaalsContact CZ-OD2 3.28Å; Y174-D446 PolarHBondContact OH-OD2 2.81Å; G201-D446 WeakPolarHBondContact CA-OD2 3.42Å; G201-D446 PolarHBondContact O-N 3.22Å; C360-D446 WeakPolarHBondContact CA-O 3.42Å; R361-D446 PolarHBondContact N-O 2.97Å; H444-D446 PolarHBondContact O-N 2.74Å; D446-L501 HydrophobicContact CB-CD1 3.93Å; D446-T504 HydrophobicContact CB-CG2 4.19Å; D446-R508 IonicContact OD1-CZ 3.22Å; D446-R508 IonicContact OD1-NH1 3.72Å; D446-R508 PolarHBondContact OD1-NH1 3.36Å; D446-R508 IonicContact OD2-CZ 2.97Å; D446-R508 IonicContact OD2-NH1 2.7Å; D446-R508 PolarHBondContact OD2-NH1 2.6Å
447	F	92.6	Very high	87.7	Confident	25 Å²	25	24.3 Å²	24.3	11%	0.11	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.1	175.1	73.2	-74.7	0	0	0	111.6	L176 V359 T445 L474 L501	L176-F447 HydrophobicContact CD1-CE1 4.11Å; V359-F447 CarbonylContact O-C 3.53Å; V359-F447 VanDerWaalsContact O-CA 3.23Å; V359-F447 WeakPolarHBondContact O-CA 3.35Å; T445-F447 WeakPolarHBondContact CG2-O 3.27Å; F447-L474 HydrophobicContact CD2-CD1 3.94Å; F447-L474 HydrophobicContact CD2-CG 4.34Å; F447-L474 HydrophobicContact CE2-CD1 3.32Å; F447-L474 HydrophobicContact CE2-CG 4.02Å; F447-L474 HydrophobicContact CZ-CD1 3.78Å; F447-L501 HydrophobicContact CB-CD1 4.2Å; F447-L501 HydrophobicContact CB-CD2 4.37Å; F447-L501 HydrophobicContact CD1-CD1 3.91Å; F447-L501 HydrophobicContact CD1-CD2 3.78Å; F447-L501 HydrophobicContact CE1-CD2 4.24Å; F447-L501 HydrophobicContact CG-CD1 4.37Å; F447-L501 HydrophobicContact CG-CD2 3.99Å
448	L	91.6	Very high	86.2	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132	179.1	-170.8	64.6	0	0	0	109.5	L210 V359 A422 L423 V450 L468	L210-L448 HydrophobicContact CD1-CD1 4.47Å; L210-L448 HydrophobicContact CD2-CD1 3.78Å; V359-L448 PolarHBondContact N-O 3.35Å; V359-L448 PolarHBondContact O-N 2.76Å; A422-L448 HydrophobicContact CB-CD2 4.18Å; L423-L448 HydrophobicContact CB-CD2 4.41Å; L423-L448 HydrophobicContact CD1-CB 4.19Å; L448-V450 HydrophobicContact CD2-CG2 3.99Å; L448-V450 HydrophobicContact CG-CG2 4.06Å; L448-L468 HydrophobicContact CD1-CB 3.99Å; L448-L468 HydrophobicContact CD1-CD1 4.06Å; L448-L468 HydrophobicContact CD1-CD2 4.23Å; L448-L468 HydrophobicContact CD1-CG 4.3Å; L448-L468 HydrophobicContact CD2-CD1 4.27Å; L448-L468 HydrophobicContact CD2-CD2 3.94Å; L448-L468 HydrophobicContact CG-CD2 4.16Å
449	G	91.3	Very high	84.9	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.1	165.8	0	0	0	0	0	109.1	A357 L468 N469	A357-G449 CarbonylContact O-C 3.5Å; A357-G449 VanDerWaalsContact O-CA 3.31Å; A357-G449 WeakPolarHBondContact O-CA 3.36Å; G449-L468 CarbonylContact O-C 3.52Å; G449-L468 VanDerWaalsContact O-CA 3.23Å; G449-L468 WeakPolarHBondContact O-CA 3.36Å; G449-N469 PolarHBondContact O-N 3.15Å
450	V	92.6	Very high	84.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119	178.8	-167.2	0	0	0	0	109.3	A357 A422 L448 F452 A465 L468	A357-V450 PolarHBondContact N-O 2.64Å; A357-V450 PolarHBondContact O-N 3.02Å; A422-V450 HydrophobicContact CB-CG2 4.03Å; L448-V450 HydrophobicContact CD2-CG2 3.99Å; L448-V450 HydrophobicContact CG-CG2 4.06Å; V450-F452 HydrophobicContact CB-CD2 4.41Å; V450-F452 HydrophobicContact CB-CE2 3.68Å; V450-F452 HydrophobicContact CB-CZ 3.88Å; V450-F452 HydrophobicContact CG1-CD1 4.33Å; V450-F452 HydrophobicContact CG1-CD2 4.13Å; V450-F452 HydrophobicContact CG1-CE1 3.74Å; V450-F452 HydrophobicContact CG1-CE2 3.51Å; V450-F452 HydrophobicContact CG1-CZ 3.29Å; V450-A465 HydrophobicContact CG1-CB 4.12Å; V450-L468 HydrophobicContact CB-CD2 4.34Å; V450-L468 HydrophobicContact CG1-CD2 4.03Å; V450-L468 HydrophobicContact CG2-CD2 3.96Å
451	D	90.9	Very high	83.9	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	128.3	172.6	-77.8	-18.8	0	0	0	109.8	R354 I355 H385 A465 L466 E467 C473	R354-D451 IonicContact CZ-OD2 2.86Å; R354-D451 IonicContact NE-OD2 3.8Å; R354-D451 IonicContact NH2-OD2 3.75Å; R354-D451 PolarHBondContact NH2-OD2 3.43Å; I355-D451 CarbonylContact O-C 3.57Å; I355-D451 WeakPolarHBondContact O-CA 3.22Å; H385-D451 IonicContact CD2-OD2 2.74Å; H385-D451 IonicContact CE1-OD1 3.1Å; H385-D451 PolarHBondContact CE1-OD1 2.88Å; H385-D451 IonicContact CE1-OD2 3.74Å; H385-D451 VanDerWaalsContact NE2-CG 3.33Å; H385-D451 IonicContact NE2-OD1 3.36Å; H385-D451 PolarHBondContact NE2-OD1 2.62Å; H385-D451 IonicContact NE2-OD2 2.71Å; H385-D451 PolarHBondContact NE2-OD2 3.28Å; D451-A465 CarbonylContact O-C 3.54Å; D451-L466 HydrophobicContact CB-CB 4.48Å; D451-L466 PolarHBondContact O-N 2.8Å; D451-E467 HydrophobicContact CB-CB 4.39Å; D451-E467 PolarHBondContact N-O 3.14Å; D451-C473 PolarHBondContact OD1-SG 3.17Å
452	F	90.6	Very high	83.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.4	176.4	-58.2	-86.3	0	0	0	112	I355 A357 V415 A418 A419 V450 P463 V464 A465	I355-F452 HydrophobicContact CB-CB 4.17Å; I355-F452 HydrophobicContact CG2-CD2 4.46Å; I355-F452 PolarHBondContact N-O 3.47Å; I355-F452 PolarHBondContact O-N 2.82Å; A357-F452 HydrophobicContact CB-CD2 4.41Å; A357-F452 HydrophobicContact CB-CE2 3.89Å; V415-F452 HydrophobicContact CG1-CD2 4.35Å; V415-F452 HydrophobicContact CG1-CE2 4.25Å; A418-F452 HydrophobicContact CB-CE1 3.75Å; A418-F452 HydrophobicContact CB-CZ 3.91Å; A419-F452 HydrophobicContact CB-CE2 3.98Å; A419-F452 HydrophobicContact CB-CZ 3.96Å; V450-F452 HydrophobicContact CB-CD2 4.41Å; V450-F452 HydrophobicContact CB-CE2 3.68Å; V450-F452 HydrophobicContact CB-CZ 3.88Å; V450-F452 HydrophobicContact CG1-CD1 4.33Å; V450-F452 HydrophobicContact CG1-CD2 4.13Å; V450-F452 HydrophobicContact CG1-CE1 3.74Å; V450-F452 HydrophobicContact CG1-CE2 3.51Å; V450-F452 HydrophobicContact CG1-CZ 3.29Å; F452-P463 HydrophobicContact CB-CB 4.15Å; F452-P463 HydrophobicContact CD1-CB 3.72Å; F452-P463 HydrophobicContact CE1-CB 4.3Å; F452-P463 HydrophobicContact CG-CB 4.04Å; F452-V464 VanDerWaalsContact CA-O 3.26Å; F452-V464 WeakPolarHBondContact CA-O 3.48Å; F452-A465 HydrophobicContact CD1-CB 3.99Å; F452-A465 HydrophobicContact CE1-CB 3.81Å
453	A	87.2	Confident	83.6	Confident	6 Å²	6	26.8 Å²	26.8	5%	0.05	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	145.9	151.9	0	0	0	0	0	108.7	P463 V464 L466	A453-P463 CarbonylContact O-C 3.44Å; A453-P463 WeakPolarHBondContact O-CA 3.23Å; A453-V464 PolarHBondContact N-O 3.47Å; A453-V464 PolarHBondContact O-N 3.3Å; A453-L466 HydrophobicContact CB-CD1 3.93Å; A453-L466 HydrophobicContact CB-CD2 4.05Å; A453-L466 HydrophobicContact CB-CG 4.1Å
454	L	83.9	Confident	83.5	Confident	4 Å²	4	26.9 Å²	26.9	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	147	161.6	-70.2	174.1	0	0	0	108.6	V337 I355 L397 V411 P463	V337-L454 HydrophobicContact CG2-CB 4.06Å; V337-L454 WeakPolarHBondContact CG2-O 3.24Å; I355-L454 HydrophobicContact CD1-CD1 3.79Å; I355-L454 HydrophobicContact CD1-CD2 3.71Å; I355-L454 HydrophobicContact CD1-CG 3.63Å; I355-L454 HydrophobicContact CG1-CG 4.4Å; L397-L454 HydrophobicContact CD2-CD1 3.72Å; V411-L454 HydrophobicContact CG1-CD1 4.42Å; V411-L454 HydrophobicContact CG1-CD2 3.99Å; L454-P463 HydrophobicContact CD2-CB 4.34Å
455	T	77.9	Confident	83.4	Confident	37 Å²	37	25 Å²	25	23%	0.227	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.5	166.3	-170.5	0	0	0	0	110.1	L461 T462 V464	T455-L461 CarbonylContact O-C 3.57Å; T455-L461 WeakPolarHBondContact O-CA 3.1Å; T455-T462 PolarHBondContact N-O 2.93Å; T455-T462 PolarHBondContact O-N 3.03Å; T455-V464 HydrophobicContact CG2-CG2 3.56Å
456	A	71.4	Confident	83.1	Confident	59 Å²	59	26.5 Å²	26.5	49%	0.488	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	96.1	174.8	0	0	0	0	0	109	L461	A456-L461 HydrophobicContact CB-CD2 4.17Å
457	A	60.8	Low	82.8	Confident	57 Å²	57	29.3 Å²	29.3	47%	0.471	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.7	175.7	0	0	0	0	0	109	G459 M460	A457-G459 VanDerWaalsContact C-N 3.31Å; A457-G459 PolarHBondContact O-N 3.2Å; A457-M460 PolarHBondContact N-O 3.42Å; A457-M460 VanDerWaalsContact N-O 3.08Å; A457-M460 PolarHBondContact O-N 2.92Å; A457-M460 VanDerWaalsContact O-N 3.13Å
458	G	57.5	Low	82.5	Confident	90 Å²	90	29.7 Å²	29.7	93%	0.928	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	31	178.8	0	0	0	0	0	114.9	M460	G458-M460 VanDerWaalsContact C-N 3.26Å; G458-M460 PolarHBondContact O-N 2.92Å
459	G	64.5	Low	82.1	Confident	86 Å²	86	32 Å²	32	89%	0.887	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	78	5.8	-176.7	0	0	0	0	0	114.6	A457	A457-G459 VanDerWaalsContact C-N 3.31Å; A457-G459 PolarHBondContact O-N 3.2Å
460	M	75	Confident	81.6	Confident	88 Å²	88	32.8 Å²	32.8	43%	0.433	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.3	-176.5	-170.3	170.9	74.5	0	0	111.3	R414 A457 G458 T462	R414-M460 PolarHBondContact NH2-SD 3.31Å; A457-M460 PolarHBondContact N-O 3.42Å; A457-M460 VanDerWaalsContact N-O 3.08Å; A457-M460 PolarHBondContact O-N 2.92Å; A457-M460 VanDerWaalsContact O-N 3.13Å; G458-M460 VanDerWaalsContact C-N 3.26Å; G458-M460 PolarHBondContact O-N 2.92Å; M460-T462 PolarHBondContact O-N 3.38Å
461	L	82.4	Confident	81.1	Confident	21 Å²	21	34.1 Å²	34.1	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	117.7	177.4	-64.5	166.7	0	0	0	111.2	V337 L339 L402 V411 R414 T455 A456	V337-L461 HydrophobicContact CG1-CD2 4.32Å; L339-L461 HydrophobicContact CD2-CD1 4.19Å; L339-L461 HydrophobicContact CD2-CD2 3.76Å; L402-L461 HydrophobicContact CD1-CD1 3.2Å; L402-L461 HydrophobicContact CD2-CD1 4.32Å; L402-L461 HydrophobicContact CG-CD1 4.38Å; V411-L461 HydrophobicContact CG2-CB 3.86Å; V411-L461 HydrophobicContact CG2-CD1 3.94Å; R414-L461 WeakPolarHBondContact CD-O 3.44Å; R414-L461 PolarHBondContact NH1-O 3.26Å; T455-L461 CarbonylContact O-C 3.57Å; T455-L461 WeakPolarHBondContact O-CA 3.1Å; A456-L461 HydrophobicContact CB-CD2 4.17Å
462	T	85.4	Confident	80.7	Confident	35 Å²	35	36.2 Å²	36.2	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.5	-174.9	-58.3	0	0	0	0	109.8	A227 T455 M460	A227-T462 HydrophobicContact CB-CG2 4.3Å; T455-T462 PolarHBondContact N-O 2.93Å; T455-T462 PolarHBondContact O-N 3.03Å; M460-T462 PolarHBondContact O-N 3.38Å
463	P	90.1	Very high	80.4	Confident	6 Å²	6	36.2 Å²	36.2	4%	0.039	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	130.6	173.8	31.4	-33.2	0	0	0	110.9	R414 V415 A418 F452 A453 L454	R414-P463 HydrophobicContact CB-CG 4.13Å; V415-P463 HydrophobicContact CG2-CB 4.04Å; V415-P463 HydrophobicContact CG2-CG 4.23Å; A418-P463 HydrophobicContact CB-CG 4.13Å; F452-P463 HydrophobicContact CB-CB 4.15Å; F452-P463 HydrophobicContact CD1-CB 3.72Å; F452-P463 HydrophobicContact CE1-CB 4.3Å; F452-P463 HydrophobicContact CG-CB 4.04Å; A453-P463 CarbonylContact O-C 3.44Å; A453-P463 WeakPolarHBondContact O-CA 3.23Å; L454-P463 HydrophobicContact CD2-CB 4.34Å
464	V	89.3	Confident	80.2	Confident	3 Å²	3	36 Å²	36	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.7	175.3	-178	0	0	0	0	108.4	A227 P229 Y334 F452 A453 T455 L466	A227-V464 HydrophobicContact CB-CG2 4.09Å; A227-V464 CarbonylContact O-C 3.57Å; A227-V464 WeakPolarHBondContact O-CA 3.3Å; P229-V464 HydrophobicContact CG-CG1 4.09Å; Y334-V464 HydrophobicContact CD1-CG2 4.21Å; Y334-V464 HydrophobicContact CD2-CG1 4.06Å; Y334-V464 HydrophobicContact CE1-CG1 4.49Å; Y334-V464 HydrophobicContact CE1-CG2 4.13Å; Y334-V464 HydrophobicContact CE2-CG1 3.96Å; Y334-V464 HydrophobicContact CG-CG1 4.41Å; F452-V464 VanDerWaalsContact CA-O 3.26Å; F452-V464 WeakPolarHBondContact CA-O 3.48Å; A453-V464 PolarHBondContact N-O 3.47Å; A453-V464 PolarHBondContact O-N 3.3Å; T455-V464 HydrophobicContact CG2-CG2 3.56Å; V464-L466 PolarHBondContact O-N 2.79Å
465	A	91.1	Very high	80.3	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	115.9	-178.5	0	0	0	0	0	110	R217 L220 V226 A227 P229 V450 D451 F452	R217-A465 PolarHBondContact NH1-O 2.88Å; L220-A465 HydrophobicContact CD1-CB 4.09Å; V226-A465 HydrophobicContact CG1-CB 3.77Å; A227-A465 PolarHBondContact O-N 3.4Å; P229-A465 VanDerWaalsContact CD-O 3.22Å; P229-A465 WeakPolarHBondContact CD-O 3.44Å; V450-A465 HydrophobicContact CG1-CB 4.12Å; D451-A465 CarbonylContact O-C 3.54Å; F452-A465 HydrophobicContact CD1-CB 3.99Å; F452-A465 HydrophobicContact CE1-CB 3.81Å
466	L	86.2	Confident	80.6	Confident	35 Å²	35	37.2 Å²	37.2	18%	0.183	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-52.2	-178.9	-60	-177	0	0	0	111.5	R217 P229 D451 A453 V464	R217-L466 PolarHBondContact NH1-O 2.88Å; R217-L466 PolarHBondContact NH2-O 3.36Å; P229-L466 HydrophobicContact CG-CD2 4.19Å; D451-L466 HydrophobicContact CB-CB 4.48Å; D451-L466 PolarHBondContact O-N 2.8Å; A453-L466 HydrophobicContact CB-CD1 3.93Å; A453-L466 HydrophobicContact CB-CD2 4.05Å; A453-L466 HydrophobicContact CB-CG 4.1Å; V464-L466 PolarHBondContact O-N 2.79Å
467	E	85.9	Confident	81.1	Confident	59 Å²	59	34.5 Å²	34.5	28%	0.276	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	152	-171.5	-63.8	-178.7	144.8	0	0	110.3	R213 R354 D451	R213-E467 IonicContact CZ-OE1 2.8Å; R213-E467 IonicContact NE-OE1 3.35Å; R213-E467 IonicContact NH2-OE1 3Å; R213-E467 PolarHBondContact NH2-OE1 2.9Å; R354-E467 IonicContact NH2-OE2 3.09Å; R354-E467 PolarHBondContact NH2-OE2 2.84Å; D451-E467 HydrophobicContact CB-CB 4.39Å; D451-E467 PolarHBondContact N-O 3.14Å
468	L	87.3	Confident	82	Confident	34 Å²	34	32.5 Å²	32.5	18%	0.178	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	114.4	171.2	-58.9	-175.3	0	0	0	108.6	L210 T216 L220 L448 G449 V450	L210-L468 HydrophobicContact CD2-CD1 4.01Å; T216-L468 HydrophobicContact CG2-CD1 3.58Å; T216-L468 HydrophobicContact CG2-CG 4.39Å; L220-L468 HydrophobicContact CD1-CD2 4.35Å; L448-L468 HydrophobicContact CD1-CB 3.99Å; L448-L468 HydrophobicContact CD1-CD1 4.06Å; L448-L468 HydrophobicContact CD1-CD2 4.23Å; L448-L468 HydrophobicContact CD1-CG 4.3Å; L448-L468 HydrophobicContact CD2-CD1 4.27Å; L448-L468 HydrophobicContact CD2-CD2 3.94Å; L448-L468 HydrophobicContact CG-CD2 4.16Å; G449-L468 CarbonylContact O-C 3.52Å; G449-L468 VanDerWaalsContact O-CA 3.23Å; G449-L468 WeakPolarHBondContact O-CA 3.36Å; V450-L468 HydrophobicContact CB-CD2 4.34Å; V450-L468 HydrophobicContact CG1-CD2 4.03Å; V450-L468 HydrophobicContact CG2-CD2 3.96Å
469	N	82.8	Confident	83.2	Confident	52 Å²	52	30.4 Å²	30.4	28%	0.278	20%	0.201	S	C	.	.			trans	-146.1	88.1	-177	-164.1	-37.2	0	0	0	112.4	G449 G471 L472 C473	G449-N469 PolarHBondContact O-N 3.15Å; N469-G471 PolarHBondContact O-N 3.41Å; N469-G471 PolarHBondContact OD1-N 3.05Å; N469-L472 WeakPolarHBondContact ND2-CD1 3.26Å; N469-L472 WeakPolarHBondContact OD1-CB 3.44Å; N469-L472 WeakPolarHBondContact OD1-CG 3.18Å; N469-L472 PolarHBondContact OD1-N 3.25Å; N469-C473 VanDerWaalsContact O-CB 3.32Å; N469-C473 WeakPolarHBondContact O-CB 3.35Å; N469-C473 PolarHBondContact O-N 3.43Å; N469-C473 PolarHBondContact O-SG 2.88Å
470	G	81.1	Confident	84	Confident	17 Å²	17	27.4 Å²	27.4	18%	0.175	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-42.6	-179.5	0	0	0	0	0	113.9	L474	G470-L474 WeakPolarHBondContact O-CB 3.16Å; G470-L474 WeakPolarHBondContact O-CG 3.11Å; G470-L474 PolarHBondContact O-N 2.8Å
471	G	81	Confident	84	Confident	28 Å²	28	26.2 Å²	26.2	29%	0.289	16%	0.158	S	C	.	.	H	α-helix	trans	-66.6	-50.9	-174.8	0	0	0	0	0	113	N469 L474 E475	N469-G471 PolarHBondContact O-N 3.41Å; N469-G471 PolarHBondContact OD1-N 3.05Å; G471-L474 PolarHBondContact O-N 3.43Å; G471-E475 PolarHBondContact O-N 2.98Å
472	L	82.4	Confident	83.4	Confident	44 Å²	44	27.2 Å²	27.2	23%	0.23	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-37.5	-179.6	-64.8	-176.2	0	0	0	112.1	H385 H386 N469 L474 E475 A476	H385-L472 HydrophobicContact CB-CB 4.26Å; H385-L472 HydrophobicContact CB-CD1 4.33Å; H386-L472 WeakPolarHBondContact NE2-CD2 3.28Å; N469-L472 WeakPolarHBondContact ND2-CD1 3.26Å; N469-L472 WeakPolarHBondContact OD1-CB 3.44Å; N469-L472 WeakPolarHBondContact OD1-CG 3.18Å; N469-L472 PolarHBondContact OD1-N 3.25Å; L472-L474 PolarHBondContact O-N 3.46Å; L472-E475 PolarHBondContact O-N 3.5Å; L472-A476 WeakPolarHBondContact O-CB 2.95Å; L472-A476 PolarHBondContact O-N 2.87Å
473	C	85.2	Confident	82.6	Confident	0 Å²	0	30 Å²	30	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-41.5	175.6	-69.5	0	0	0	0	111.9	V358 D451 N469 A476 C477	V358-C473 HydrophobicContact CG2-CB 3.74Å; D451-C473 PolarHBondContact OD1-SG 3.17Å; N469-C473 VanDerWaalsContact O-CB 3.32Å; N469-C473 WeakPolarHBondContact O-CB 3.35Å; N469-C473 PolarHBondContact O-N 3.43Å; N469-C473 PolarHBondContact O-SG 2.88Å; C473-A476 PolarHBondContact O-N 3.21Å; C473-C477 WeakPolarHBondContact O-CB 3.46Å; C473-C477 PolarHBondContact O-N 3.33Å; C473-C477 PolarHBondContact O-SG 3.03Å
474	L	83.9	Confident	81.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-43.3	174.5	-79.3	175.7	0	0	0	111.8	V112 V358 F447 G470 G471 L472 C477 G478	V112-L474 HydrophobicContact CG2-CD1 4.34Å; V358-L474 HydrophobicContact CG1-CD2 4.06Å; V358-L474 HydrophobicContact CG2-CD2 4.34Å; F447-L474 HydrophobicContact CD2-CD1 3.94Å; F447-L474 HydrophobicContact CD2-CG 4.34Å; F447-L474 HydrophobicContact CE2-CD1 3.32Å; F447-L474 HydrophobicContact CE2-CG 4.02Å; F447-L474 HydrophobicContact CZ-CD1 3.78Å; G470-L474 WeakPolarHBondContact O-CB 3.16Å; G470-L474 WeakPolarHBondContact O-CG 3.11Å; G470-L474 PolarHBondContact O-N 2.8Å; G471-L474 PolarHBondContact O-N 3.43Å; L472-L474 PolarHBondContact O-N 3.46Å; L474-C477 PolarHBondContact O-N 2.97Å; L474-G478 PolarHBondContact O-N 3.34Å
475	E	84.3	Confident	79	Confident	55 Å²	55	41.1 Å²	41.1	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-43.4	177.7	-171.1	176.2	168.4	0	0	111.7	H386 G471 L472 C477 G478 A479	H386-E475 IonicContact CE1-OE1 2.69Å; H386-E475 IonicContact CE1-OE2 3.28Å; G471-E475 PolarHBondContact O-N 2.98Å; L472-E475 PolarHBondContact O-N 3.5Å; E475-C477 VanDerWaalsContact C-N 3.32Å; E475-C477 PolarHBondContact O-N 3.31Å; E475-G478 PolarHBondContact O-N 3.33Å; E475-A479 WeakPolarHBondContact O-CB 3.34Å; E475-A479 PolarHBondContact O-N 2.97Å
476	A	85	Confident	76.7	Confident	13 Å²	13	44.1 Å²	44.1	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-62.7	-38.3	175.8	0	0	0	0	0	112.1	V373 P390 L472 C473 L480	V373-A476 HydrophobicContact CG2-CB 3.82Å; P390-A476 WeakPolarHBondContact CB-O 3.36Å; P390-A476 WeakPolarHBondContact CG-O 3.29Å; L472-A476 WeakPolarHBondContact O-CB 2.95Å; L472-A476 PolarHBondContact O-N 2.87Å; C473-A476 PolarHBondContact O-N 3.21Å; A476-L480 PolarHBondContact O-N 3.01Å
477	C	82.8	Confident	74.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.007	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-47.2	173.8	-66.7	0	0	0	0	111.7	K371 V373 C473 L474 E475 A479 L480 E481 A497	K371-C477 HydrophobicContact CG-CB 4.4Å; V373-C477 HydrophobicContact CG1-CB 4.38Å; C473-C477 WeakPolarHBondContact O-CB 3.46Å; C473-C477 PolarHBondContact O-N 3.33Å; C473-C477 PolarHBondContact O-SG 3.03Å; L474-C477 PolarHBondContact O-N 2.97Å; E475-C477 VanDerWaalsContact C-N 3.32Å; E475-C477 PolarHBondContact O-N 3.31Å; C477-A479 VanDerWaalsContact C-N 3.31Å; C477-A479 PolarHBondContact O-N 3.29Å; C477-L480 WeakPolarHBondContact O-CB 2.99Å; C477-L480 PolarHBondContact O-N 3.07Å; C477-E481 WeakPolarHBondContact O-CG 3.26Å; C477-E481 PolarHBondContact O-N 3.07Å; C477-E481 VanDerWaalsContact O-N 3.13Å; C477-A497 HydrophobicContact CB-CB 3.44Å; C477-A497 VanDerWaalsContact CB-CB 3.44Å
478	G	78.8	Confident	72.4	Confident	16 Å²	16	53.9 Å²	53.9	17%	0.165	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-38.6	177	0	0	0	0	0	113.2	P111 L474 E475 E481 G482	P111-G478 VanDerWaalsContact CG-CA 3.43Å; L474-G478 PolarHBondContact O-N 3.34Å; E475-G478 PolarHBondContact O-N 3.33Å; G478-E481 PolarHBondContact O-N 3.08Å; G478-G482 PolarHBondContact O-N 3.27Å
479	A	81.8	Confident	69.9	Low	46 Å²	46	61.2 Å²	61.2	38%	0.38	36%	0.356	S	S	.	.	H	α-helix	trans	-63.6	-41	175.8	0	0	0	0	0	111.8	P390 E475 C477 G482 L483	P390-A479 HydrophobicContact CG-CB 3.84Å; E475-A479 WeakPolarHBondContact O-CB 3.34Å; E475-A479 PolarHBondContact O-N 2.97Å; C477-A479 VanDerWaalsContact C-N 3.31Å; C477-A479 PolarHBondContact O-N 3.29Å; A479-G482 PolarHBondContact O-N 3.35Å; A479-L483 WeakPolarHBondContact O-CG 3.43Å; A479-L483 PolarHBondContact O-N 3.41Å; A479-L483 VanDerWaalsContact O-N 3.1Å
480	L	81.6	Confident	67.6	Low	23 Å²	23	60.2 Å²	60.2	12%	0.12	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-42.9	175	178.7	62.4	0	0	0	111.8	V373 P390 T392 A476 C477 G482 L483	V373-L480 HydrophobicContact CB-CD2 4.41Å; V373-L480 HydrophobicContact CG1-CB 4.21Å; V373-L480 HydrophobicContact CG1-CD2 3.5Å; V373-L480 VanDerWaalsContact CG1-CD2 3.5Å; V373-L480 HydrophobicContact CG1-CG 4.5Å; P390-L480 HydrophobicContact CB-CB 4.1Å; P390-L480 HydrophobicContact CG-CB 3.99Å; T392-L480 HydrophobicContact CG2-CD2 4.25Å; A476-L480 PolarHBondContact O-N 3.01Å; C477-L480 WeakPolarHBondContact O-CB 2.99Å; C477-L480 PolarHBondContact O-N 3.07Å; L480-G482 VanDerWaalsContact C-N 3.34Å; L480-L483 HydrophobicContact CD1-CD1 4.03Å; L480-L483 PolarHBondContact O-N 3.04Å
481	E	76.6	Confident	65.4	Low	63 Å²	63	66 Å²	66	29%	0.294	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-39.7	177.2	-69.7	168.5	-171.4	0	0	111.5	C477 G478 L483 A496 A497	C477-E481 WeakPolarHBondContact O-CG 3.26Å; C477-E481 PolarHBondContact O-N 3.07Å; C477-E481 VanDerWaalsContact O-N 3.13Å; G478-E481 PolarHBondContact O-N 3.08Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 2.71Å; E481-A496 WeakPolarHBondContact OE1-CA 3.43Å; E481-A497 WeakPolarHBondContact OE1-CB 3.38Å; E481-A497 PolarHBondContact OE1-N 2.99Å
482	G	69.8	Low	63.4	Low	42 Å²	42	69.1 Å²	69.1	43%	0.433	42%	0.415	S	S	.	.	H	α-helix	trans	-76.4	-9.8	179	0	0	0	0	0	115.6	G478 A479 L480 W484	G478-G482 PolarHBondContact O-N 3.27Å; A479-G482 PolarHBondContact O-N 3.35Å; L480-G482 VanDerWaalsContact C-N 3.34Å; G482-W484 PolarHBondContact O-N 2.74Å
483	L	68.1	Low	61.5	Low	92 Å²	92	69.2 Å²	69.2	48%	0.482	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.1	176.4	-78.3	175.7	0	0	0	112.9	A479 L480 E481	A479-L483 WeakPolarHBondContact O-CG 3.43Å; A479-L483 PolarHBondContact O-N 3.41Å; A479-L483 VanDerWaalsContact O-N 3.1Å; L480-L483 HydrophobicContact CD1-CD1 4.03Å; L480-L483 PolarHBondContact O-N 3.04Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 2.71Å
484	W	58.8	Low	59.9	Low	160 Å²	160	74.9 Å²	74.9	61%	0.606	45%	0.453	S	S	*	.	S	Bend	trans	-111.4	108.2	178.1	-60.3	79.9	0	0	0	110	G482 A486	G482-W484 PolarHBondContact O-N 2.74Å; W484-A486 PolarHBondContact O-N 2.86Å
485	A	45.4	Very low	58.9	Low	83 Å²	83	79.2 Å²	79.2	69%	0.686	47%	0.473	S	S	*	.	S	Bend	trans	-68.2	8.1	179.1	0	0	0	0	0	115
486	A	42.9	Very low	58.1	Low	63 Å²	63	77.7 Å²	77.7	52%	0.521	47%	0.47	S	S	.	.	S	Bend	trans	-144.9	136.8	178.2	0	0	0	0	0	110.5	W484 R488	W484-A486 PolarHBondContact O-N 2.86Å; A486-R488 PolarHBondContact O-N 3.01Å; A486-R488 VanDerWaalsContact O-N 3.16Å
487	P	44.7	Very low	57.4	Low	121 Å²	121	77.1 Å²	77.1	79%	0.786	47%	0.465	S	S	*	.			trans	-64.2	120	170.8	-3.1	15.9	0	0	0	108	L489	P487-L489 PolarHBondContact O-N 3.26Å
488	R	37	Very low	57.4	Low	179 Å²	179	77 Å²	77	68%	0.675	47%	0.465	S	S	*	.			trans	-62.9	112	159.8	-72.2	-171	-177.9	-162	1.8	106.6	A486 G490	A486-R488 PolarHBondContact O-N 3.01Å; A486-R488 VanDerWaalsContact O-N 3.16Å; R488-G490 PolarHBondContact O-N 3.44Å
489	L	34.2	Very low	57.7	Low	188 Å²	188	76.9 Å²	76.9	98%	0.984	46%	0.461	S	S	*	.			trans	-65.1	66.8	154.8	-87.6	122.1	0	0	0	108.1	P487	P487-L489 PolarHBondContact O-N 3.26Å
490	G	33.3	Very low	58	Low	31 Å²	31	74.8 Å²	74.8	32%	0.32	44%	0.444	S	S	.	.			trans	-122.2	145.2	174.7	0	0	0	0	0	109.5	R488 A492 A493	R488-G490 PolarHBondContact O-N 3.44Å; G490-A492 PolarHBondContact O-N 2.93Å; G490-A492 VanDerWaalsContact O-N 3.15Å; G490-A493 PolarHBondContact O-N 3.42Å
491	P	35.4	Very low	58.5	Low	139 Å²	139	73.7 Å²	73.7	90%	0.903	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.6	180	22.4	-30.7	0	0	0	113.6
492	A	39	Very low	59.1	Low	93 Å²	93	70.7 Å²	70.7	77%	0.769	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	47.4	175.9	0	0	0	0	0	112.6	G490 D494	G490-A492 PolarHBondContact O-N 2.93Å; G490-A492 VanDerWaalsContact O-N 3.15Å; A492-D494 PolarHBondContact O-N 3.38Å
493	A	42.7	Very low	60.1	Low	45 Å²	45	69.7 Å²	69.7	37%	0.372	41%	0.408	S	S	.	.			trans	-67.7	100.9	165.6	0	0	0	0	0	108.2	G490 E495 R854	G490-A493 PolarHBondContact O-N 3.42Å; A493-E495 PolarHBondContact O-N 2.87Å; A493-R854 PolarHBondContact O-NH1 3.11Å
494	D	52.4	Low	61.2	Low	120 Å²	120	65.3 Å²	65.3	64%	0.642	39%	0.385	S	S	*	.			trans	-42.1	129.3	170.4	-103.2	-8.8	0	0	0	110.6	A492	A492-D494 PolarHBondContact O-N 3.38Å
495	E	61.8	Low	62.8	Low	90 Å²	90	57.7 Å²	57.7	42%	0.421	36%	0.356	S	S	.	.			trans	-55	139.1	-174.6	-166.5	178.1	174.3	0	0	111.7	K371 A493 A497 A499	K371-E495 PolarHBondContact NZ-O 3.25Å; A493-E495 PolarHBondContact O-N 2.87Å; E495-A497 PolarHBondContact O-N 3.33Å; E495-A499 HydrophobicContact CG-CB 4.24Å
496	A	67.4	Low	65	Low	23 Å²	23	54 Å²	54	19%	0.19	33%	0.325	C	S	.	.			trans	-63.2	126.3	169.9	0	0	0	0	0	108.5	E115 E481 A498 A499	E115-A496 HydrophobicContact CG-CB 4.4Å; E115-A496 WeakPolarHBondContact OE2-CB 3.39Å; E481-A496 WeakPolarHBondContact OE1-CA 3.43Å; A496-A498 PolarHBondContact O-N 3.04Å; A496-A499 WeakPolarHBondContact O-CB 3.46Å; A496-A499 PolarHBondContact O-N 2.84Å
497	A	70.7	Confident	67.3	Low	1 Å²	1	52 Å²	52	1%	0.008	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-11.9	-177.5	0	0	0	0	0	114.1	S370 K371 C477 E481 E495	S370-A497 VanDerWaalsContact OG-C 3.26Å; S370-A497 WeakPolarHBondContact OG-CA 3.27Å; S370-A497 PolarHBondContact OG-O 3.46Å; K371-A497 HydrophobicContact CB-CB 3.5Å; K371-A497 VanDerWaalsContact CB-CB 3.5Å; K371-A497 HydrophobicContact CD-CB 4.33Å; K371-A497 HydrophobicContact CG-CB 3.85Å; C477-A497 HydrophobicContact CB-CB 3.44Å; C477-A497 VanDerWaalsContact CB-CB 3.44Å; E481-A497 WeakPolarHBondContact OE1-CB 3.38Å; E481-A497 PolarHBondContact OE1-N 2.99Å; E495-A497 PolarHBondContact O-N 3.33Å
498	A	83	Confident	69.6	Low	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-9.1	177.8	0	0	0	0	0	114.2	P111 V112 E115 A496 L501 V502	P111-A498 HydrophobicContact CB-CB 4.39Å; V112-A498 HydrophobicContact CB-CB 4.12Å; V112-A498 HydrophobicContact CG2-CB 3.71Å; E115-A498 HydrophobicContact CB-CB 4.23Å; A496-A498 PolarHBondContact O-N 3.04Å; A498-L501 WeakPolarHBondContact O-CB 3.27Å; A498-L501 PolarHBondContact O-N 2.89Å; A498-L501 VanDerWaalsContact O-N 3.09Å; A498-V502 WeakPolarHBondContact O-CG2 3.49Å; A498-V502 PolarHBondContact O-N 3.29Å
499	A	85.4	Confident	72.3	Confident	12 Å²	12	39 Å²	39	10%	0.099	24%	0.24	C	C	.	.	H	α-helix	trans	-59.2	-46.3	-171.7	0	0	0	0	0	113.2	E115 E495 A496 L501 V502 E503	E115-A499 HydrophobicContact CG-CB 4.03Å; E495-A499 HydrophobicContact CG-CB 4.24Å; A496-A499 WeakPolarHBondContact O-CB 3.46Å; A496-A499 PolarHBondContact O-N 2.84Å; A499-L501 VanDerWaalsContact C-N 3.32Å; A499-L501 PolarHBondContact O-N 3.18Å; A499-V502 PolarHBondContact O-N 2.55Å; A499-E503 PolarHBondContact O-N 3.34Å
500	P	87.8	Confident	75.1	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.013	20%	0.196	C	C	.	.	H	α-helix	trans	-63.8	-33.9	175.1	-26.3	38.2	0	0	0	114	C360 L368 S370 T504	C360-P500 HydrophobicContact CB-CB 3.82Å; L368-P500 HydrophobicContact CD2-CB 4.13Å; L368-P500 HydrophobicContact CD2-CG 4.14Å; S370-P500 WeakPolarHBondContact OG-CD 3.39Å; P500-T504 PolarHBondContact O-N 2.8Å; P500-T504 VanDerWaalsContact O-N 3.16Å
501	L	91.3	Very high	77.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-51	175.3	174.1	56.4	0	0	0	110.3	V112 D446 F447 A498 A499 E503 T504 M505	V112-L501 HydrophobicContact CG1-CD2 4.38Å; V112-L501 HydrophobicContact CG2-CD2 4.02Å; D446-L501 HydrophobicContact CB-CD1 3.93Å; F447-L501 HydrophobicContact CB-CD1 4.2Å; F447-L501 HydrophobicContact CB-CD2 4.37Å; F447-L501 HydrophobicContact CD1-CD1 3.91Å; F447-L501 HydrophobicContact CD1-CD2 3.78Å; F447-L501 HydrophobicContact CE1-CD2 4.24Å; F447-L501 HydrophobicContact CG-CD1 4.37Å; F447-L501 HydrophobicContact CG-CD2 3.99Å; A498-L501 WeakPolarHBondContact O-CB 3.27Å; A498-L501 PolarHBondContact O-N 2.89Å; A498-L501 VanDerWaalsContact O-N 3.09Å; A499-L501 VanDerWaalsContact C-N 3.32Å; A499-L501 PolarHBondContact O-N 3.18Å; L501-E503 VanDerWaalsContact C-N 3.28Å; L501-E503 PolarHBondContact O-N 2.99Å; L501-T504 WeakPolarHBondContact O-CA 3.42Å; L501-T504 WeakPolarHBondContact O-CB 3.23Å; L501-T504 PolarHBondContact O-N 2.9Å; L501-M505 HydrophobicContact CD1-CG 4.29Å; L501-M505 HydrophobicContact CG-CG 4.46Å; L501-M505 HydrophobicContact CG-SD 4.22Å; L501-M505 VanDerWaalsContact O-CG 3.28Å; L501-M505 WeakPolarHBondContact O-CG 3.3Å; L501-M505 PolarHBondContact O-N 3.35Å
502	V	90.9	Very high	80.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-41.7	178.9	172.3	0	0	0	0	111.1	V112 E115 Q119 M124 A498 A499 T504 M505 L506	V112-V502 HydrophobicContact CG1-CG2 3.96Å; E115-V502 HydrophobicContact CB-CG2 4.11Å; E115-V502 HydrophobicContact CG-CB 4.29Å; E115-V502 HydrophobicContact CG-CG2 3.96Å; Q119-V502 HydrophobicContact CB-CG1 4.09Å; Q119-V502 HydrophobicContact CG-CG1 4.22Å; M124-V502 HydrophobicContact CE-CG2 4.4Å; A498-V502 WeakPolarHBondContact O-CG2 3.49Å; A498-V502 PolarHBondContact O-N 3.29Å; A499-V502 PolarHBondContact O-N 2.55Å; V502-T504 VanDerWaalsContact C-N 3.33Å; V502-T504 PolarHBondContact O-N 3.32Å; V502-M505 HydrophobicContact CG2-SD 4.44Å; V502-M505 WeakPolarHBondContact O-CB 3.18Å; V502-M505 PolarHBondContact O-N 3.26Å; V502-M505 VanDerWaalsContact O-N 3.14Å; V502-L506 HydrophobicContact CG1-CD1 4.08Å; V502-L506 HydrophobicContact CG1-CG 4.33Å; V502-L506 VanDerWaalsContact O-CG 3.31Å; V502-L506 WeakPolarHBondContact O-CG 3.5Å; V502-L506 PolarHBondContact O-N 3.37Å
503	E	89.2	Confident	83.2	Confident	21 Å²	21	23.1 Å²	23.1	10%	0.098	13%	0.125	C	C	.	.	H	α-helix	trans	-59.7	-43.5	175.3	-174.1	-169.6	129.5	0	0	112.1	A499 L501 M505 L506 R507 G831 R856	A499-E503 PolarHBondContact O-N 3.34Å; L501-E503 VanDerWaalsContact C-N 3.28Å; L501-E503 PolarHBondContact O-N 2.99Å; E503-M505 VanDerWaalsContact C-N 3.35Å; E503-M505 PolarHBondContact O-N 3.39Å; E503-L506 PolarHBondContact O-N 2.91Å; E503-R507 WeakPolarHBondContact O-CB 3.5Å; E503-R507 PolarHBondContact O-N 3.42Å; E503-G831 VanDerWaalsContact OE1-CA 3.32Å; E503-G831 WeakPolarHBondContact OE1-CA 3.3Å; E503-R856 IonicContact OE1-CZ 2.71Å; E503-R856 IonicContact OE1-NH1 2.82Å; E503-R856 IonicContact OE1-NH2 3Å; E503-R856 PolarHBondContact OE1-NH2 3.13Å; E503-R856 IonicContact OE2-CZ 3.61Å; E503-R856 IonicContact OE2-NH2 3.38Å; E503-R856 PolarHBondContact OE2-NH2 3.09Å
504	T	91.5	Very high	85.6	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-39.5	173.9	-80.7	0	0	0	0	112.3	R361 D446 P500 L501 V502 L506 R507 R508	R361-T504 WeakPolarHBondContact O-CB 3.49Å; R361-T504 PolarHBondContact O-OG1 3.09Å; D446-T504 HydrophobicContact CB-CG2 4.19Å; P500-T504 PolarHBondContact O-N 2.8Å; P500-T504 VanDerWaalsContact O-N 3.16Å; L501-T504 WeakPolarHBondContact O-CA 3.42Å; L501-T504 WeakPolarHBondContact O-CB 3.23Å; L501-T504 PolarHBondContact O-N 2.9Å; V502-T504 VanDerWaalsContact C-N 3.33Å; V502-T504 PolarHBondContact O-N 3.32Å; T504-L506 PolarHBondContact O-N 3.44Å; T504-R507 PolarHBondContact O-N 3.49Å; T504-R507 PolarHBondContact OG1-NH1 3.3Å; T504-R507 PolarHBondContact OG1-NH2 3.02Å; T504-R508 HydrophobicContact CG2-CG 4.33Å; T504-R508 WeakPolarHBondContact O-CB 3.31Å; T504-R508 VanDerWaalsContact O-CG 3.28Å; T504-R508 WeakPolarHBondContact O-CG 3.48Å; T504-R508 PolarHBondContact O-N 3.48Å
505	M	93.4	Very high	87.5	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.4	-46.8	173.4	-59.2	171	70.7	0	0	111	L100 V102 V112 M124 Y174 L501 V502 E503 S509	L100-M505 HydrophobicContact CB-CE 4.09Å; L100-M505 HydrophobicContact CD1-CB 4.03Å; L100-M505 HydrophobicContact CD1-CE 4.28Å; L100-M505 HydrophobicContact CD2-CB 4.02Å; V102-M505 HydrophobicContact CG2-CE 4.24Å; V112-M505 HydrophobicContact CG1-SD 3.96Å; M124-M505 HydrophobicContact CE-CE 3.77Å; M124-M505 HydrophobicContact CE-SD 4.15Å; M124-M505 HydrophobicContact SD-CE 4.36Å; Y174-M505 HydrophobicContact CD1-CB 4.03Å; Y174-M505 HydrophobicContact CD1-CE 3.6Å; Y174-M505 HydrophobicContact CD1-CG 3.97Å; Y174-M505 HydrophobicContact CD2-CB 4.29Å; Y174-M505 HydrophobicContact CE1-CB 4.02Å; Y174-M505 HydrophobicContact CE1-CE 3.53Å; Y174-M505 HydrophobicContact CE1-CG 3.47Å; Y174-M505 VanDerWaalsContact CE1-CG 3.47Å; Y174-M505 HydrophobicContact CE1-SD 4.17Å; Y174-M505 HydrophobicContact CE2-CB 4.28Å; Y174-M505 HydrophobicContact CE2-CG 4.17Å; Y174-M505 HydrophobicContact CG-CB 4.17Å; L501-M505 HydrophobicContact CD1-CG 4.29Å; L501-M505 HydrophobicContact CG-CG 4.46Å; L501-M505 HydrophobicContact CG-SD 4.22Å; L501-M505 VanDerWaalsContact O-CG 3.28Å; L501-M505 WeakPolarHBondContact O-CG 3.3Å; L501-M505 PolarHBondContact O-N 3.35Å; V502-M505 HydrophobicContact CG2-SD 4.44Å; V502-M505 WeakPolarHBondContact O-CB 3.18Å; V502-M505 PolarHBondContact O-N 3.26Å; V502-M505 VanDerWaalsContact O-N 3.14Å; E503-M505 VanDerWaalsContact C-N 3.35Å; E503-M505 PolarHBondContact O-N 3.39Å; M505-S509 WeakPolarHBondContact O-CB 3.24Å; M505-S509 PolarHBondContact O-N 2.71Å
506	L	91.7	Very high	88.9	Confident	5 Å²	5	16.6 Å²	16.6	3%	0.026	9%	0.094	C	C	.	.	H	α-helix	trans	-63.8	-47.6	179.3	-68.5	173.3	0	0	0	112	V98 L100 Q119 V502 E503 T504 S509 A510 A848	V98-L506 HydrophobicContact CG1-CD2 3.84Å; L100-L506 HydrophobicContact CD1-CD2 3.67Å; L100-L506 HydrophobicContact CD1-CG 4.17Å; L100-L506 HydrophobicContact CG-CD2 4.36Å; Q119-L506 HydrophobicContact CB-CD1 3.91Å; V502-L506 HydrophobicContact CG1-CD1 4.08Å; V502-L506 HydrophobicContact CG1-CG 4.33Å; V502-L506 VanDerWaalsContact O-CG 3.31Å; V502-L506 WeakPolarHBondContact O-CG 3.5Å; V502-L506 PolarHBondContact O-N 3.37Å; E503-L506 PolarHBondContact O-N 2.91Å; T504-L506 PolarHBondContact O-N 3.44Å; L506-S509 WeakPolarHBondContact O-CB 3.4Å; L506-S509 PolarHBondContact O-N 3.07Å; L506-A510 WeakPolarHBondContact O-CB 3.47Å; L506-A510 PolarHBondContact O-N 2.96Å; L506-A848 HydrophobicContact CD2-CB 3.74Å
507	R	90.5	Very high	90.2	Very high	23 Å²	23	17.4 Å²	17.4	9%	0.087	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-49.4	178.2	-176.6	-174.9	67.7	-110.7	-5.5	111.6	T362 E503 T504 S509 A510 R511	T362-R507 VanDerWaalsContact C-NH2 3.35Å; T362-R507 PolarHBondContact O-NH2 2.84Å; E503-R507 WeakPolarHBondContact O-CB 3.5Å; E503-R507 PolarHBondContact O-N 3.42Å; T504-R507 PolarHBondContact O-N 3.49Å; T504-R507 PolarHBondContact OG1-NH1 3.3Å; T504-R507 PolarHBondContact OG1-NH2 3.02Å; R507-S509 VanDerWaalsContact C-N 3.32Å; R507-S509 PolarHBondContact O-N 2.86Å; R507-A510 PolarHBondContact O-N 3.31Å; R507-R511 WeakPolarHBondContact O-CG 3.44Å; R507-R511 PolarHBondContact O-N 3.22Å
508	R	92.8	Very high	91.4	Very high	27 Å²	27	19.7 Å²	19.7	10%	0.102	10%	0.104	C	C	.	.	H	α-helix	trans	-64.5	-39.3	179.4	-69.6	-175.7	68.9	-160	-5.5	111	Y174 P199 T200 R442 H444 D446 T504 R511 C512	Y174-R508 HydrophobicContact CD2-CB 4.13Å; Y174-R508 HydrophobicContact CE2-CB 4.35Å; P199-R508 HydrophobicContact CB-CB 4.03Å; P199-R508 VanDerWaalsContact CB-CZ 3.43Å; P199-R508 HydrophobicContact CG-CB 3.92Å; T200-R508 PolarHBondContact O-NH1 2.9Å; T200-R508 PolarHBondContact O-NH2 2.64Å; R442-R508 PolarHBondContact O-NH2 3.2Å; H444-R508 PolarHBondContact CD2-NH2 2.85Å; H444-R508 VanDerWaalsContact CD2-NH2 3.29Å; D446-R508 IonicContact OD1-CZ 3.22Å; D446-R508 IonicContact OD1-NH1 3.72Å; D446-R508 PolarHBondContact OD1-NH1 3.36Å; D446-R508 IonicContact OD2-CZ 2.97Å; D446-R508 IonicContact OD2-NH1 2.7Å; D446-R508 PolarHBondContact OD2-NH1 2.6Å; T504-R508 HydrophobicContact CG2-CG 4.33Å; T504-R508 WeakPolarHBondContact O-CB 3.31Å; T504-R508 VanDerWaalsContact O-CG 3.28Å; T504-R508 WeakPolarHBondContact O-CG 3.48Å; T504-R508 PolarHBondContact O-N 3.48Å; R508-R511 PolarHBondContact O-N 2.91Å; R508-C512 WeakPolarHBondContact O-CB 3.42Å; R508-C512 PolarHBondContact O-N 3.09Å
509	S	93.6	Very high	92.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-46.6	173.3	170.5	0	0	0	0	112.6	V98 T173 M505 L506 R507 R511 C512 L513	V98-S509 WeakPolarHBondContact CG1-OG 3.32Å; T173-S509 VanDerWaalsContact CB-OG 3.25Å; T173-S509 WeakPolarHBondContact CB-OG 3.32Å; T173-S509 WeakPolarHBondContact O-CA 3.41Å; T173-S509 PolarHBondContact OG1-OG 2.92Å; M505-S509 WeakPolarHBondContact O-CB 3.24Å; M505-S509 PolarHBondContact O-N 2.71Å; L506-S509 WeakPolarHBondContact O-CB 3.4Å; L506-S509 PolarHBondContact O-N 3.07Å; R507-S509 VanDerWaalsContact C-N 3.32Å; R507-S509 PolarHBondContact O-N 2.86Å; S509-R511 VanDerWaalsContact C-N 3.35Å; S509-R511 PolarHBondContact O-N 2.75Å; S509-C512 WeakPolarHBondContact O-CB 3.28Å; S509-C512 PolarHBondContact O-N 3.42Å; S509-L513 PolarHBondContact O-N 3.25Å; S509-L513 VanDerWaalsContact O-N 3.1Å
510	A	92.7	Very high	92.7	Very high	8 Å²	8	19.1 Å²	19.1	7%	0.066	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-45.4	178.2	0	0	0	0	0	111.3	L506 R507 C512 L513 M514 L836 M840	L506-A510 WeakPolarHBondContact O-CB 3.47Å; L506-A510 PolarHBondContact O-N 2.96Å; R507-A510 PolarHBondContact O-N 3.31Å; A510-C512 VanDerWaalsContact C-N 3.35Å; A510-C512 PolarHBondContact O-N 2.96Å; A510-L513 WeakPolarHBondContact O-CB 3.43Å; A510-L513 PolarHBondContact O-N 2.87Å; A510-L513 VanDerWaalsContact O-N 3.14Å; A510-M514 WeakPolarHBondContact O-CG 3.4Å; A510-M514 PolarHBondContact O-N 3.32Å; A510-M514 VanDerWaalsContact O-N 3.14Å; A510-L836 HydrophobicContact CB-CD2 3.87Å; A510-L836 HydrophobicContact CB-CG 4.48Å; A510-M840 HydrophobicContact CB-CE 4.21Å; A510-M840 HydrophobicContact CB-SD 3.69Å
511	R	92.6	Very high	93.1	Very high	68 Å²	68	19 Å²	19	26%	0.257	10%	0.099	S	C	.	.	H	α-helix	trans	-61.3	-41.8	174.8	-69	-179.5	179.4	-169.1	-4.1	112.5	R507 R508 S509 L513 M514 E515 Y539 L836	R507-R511 WeakPolarHBondContact O-CG 3.44Å; R507-R511 PolarHBondContact O-N 3.22Å; R508-R511 PolarHBondContact O-N 2.91Å; S509-R511 VanDerWaalsContact C-N 3.35Å; S509-R511 PolarHBondContact O-N 2.75Å; R511-L513 PolarHBondContact O-N 3.25Å; R511-M514 PolarHBondContact O-N 3.46Å; R511-M514 VanDerWaalsContact O-N 3.07Å; R511-E515 PolarHBondContact O-N 3.47Å; R511-Y539 HydrophobicContact CG-CD1 4.41Å; R511-L836 HydrophobicContact CG-CD2 4.08Å
512	C	92.6	Very high	93.4	Very high	21 Å²	21	19 Å²	19	14%	0.142	10%	0.099	C	C	.	.	H	α-helix	trans	-59.6	-32.4	175.9	-173.5	0	0	0	0	113	P199 R508 S509 A510	P199-C512 HydrophobicContact CG-CB 4.1Å; R508-C512 WeakPolarHBondContact O-CB 3.42Å; R508-C512 PolarHBondContact O-N 3.09Å; S509-C512 WeakPolarHBondContact O-CB 3.28Å; S509-C512 PolarHBondContact O-N 3.42Å; A510-C512 VanDerWaalsContact C-N 3.35Å; A510-C512 PolarHBondContact O-N 2.96Å
513	L	92.5	Very high	93.4	Very high	20 Å²	20	19.1 Å²	19.1	11%	0.105	10%	0.1	C	C	.	.	H	α-helix	trans	-75.9	-29.6	175.8	-75	171.6	0	0	0	113.1	G95 V98 T173 S509 A510 R511 K517 L845	G95-L513 VanDerWaalsContact O-CD2 3.31Å; G95-L513 WeakPolarHBondContact O-CD2 3.42Å; V98-L513 HydrophobicContact CG2-CD1 3.84Å; T173-L513 HydrophobicContact CG2-CD1 4.24Å; T173-L513 HydrophobicContact CG2-CD2 3.51Å; T173-L513 HydrophobicContact CG2-CG 3.73Å; S509-L513 PolarHBondContact O-N 3.25Å; S509-L513 VanDerWaalsContact O-N 3.1Å; A510-L513 WeakPolarHBondContact O-CB 3.43Å; A510-L513 PolarHBondContact O-N 2.87Å; A510-L513 VanDerWaalsContact O-N 3.14Å; R511-L513 PolarHBondContact O-N 3.25Å; L513-K517 WeakPolarHBondContact O-CE 3.48Å; L513-L845 HydrophobicContact CB-CD1 4.37Å
514	M	93.8	Very high	93.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-86.4	-23.1	-176.2	-67.3	-51.4	-61.7	0	0	113.8	A510 R511 G516 K517 L519 L541 L836 V839 M840 C843 L845	A510-M514 WeakPolarHBondContact O-CG 3.4Å; A510-M514 PolarHBondContact O-N 3.32Å; A510-M514 VanDerWaalsContact O-N 3.14Å; R511-M514 PolarHBondContact O-N 3.46Å; R511-M514 VanDerWaalsContact O-N 3.07Å; M514-G516 PolarHBondContact O-N 3.24Å; M514-K517 HydrophobicContact CE-CD 3.96Å; M514-K517 VanDerWaalsContact O-CB 3.27Å; M514-K517 WeakPolarHBondContact O-CB 3.36Å; M514-K517 WeakPolarHBondContact O-CG 3.16Å; M514-K517 PolarHBondContact O-N 3.16Å; M514-K517 VanDerWaalsContact O-N 3.14Å; M514-K517 HydrophobicContact SD-CD 4.04Å; M514-L519 HydrophobicContact CE-CD1 4.44Å; M514-L541 HydrophobicContact CB-CD2 4.21Å; M514-L541 HydrophobicContact CE-CD2 3.75Å; M514-L541 WeakPolarHBondContact O-CD2 3.45Å; M514-L836 HydrophobicContact CB-CD1 4.48Å; M514-L836 HydrophobicContact CG-CD1 3.82Å; M514-V839 HydrophobicContact CE-CB 4.15Å; M514-V839 HydrophobicContact CE-CG2 3.87Å; M514-M840 HydrophobicContact CG-CG 3.8Å; M514-M840 HydrophobicContact SD-CB 4.25Å; M514-M840 HydrophobicContact SD-CG 3.5Å; M514-M840 VanDerWaalsContact SD-CG 3.5Å; M514-C843 HydrophobicContact CE-CB 4.49Å; M514-C843 VanDerWaalsContact CE-SG 3.58Å; M514-L845 HydrophobicContact SD-CD1 3.88Å
515	E	91.9	Very high	93.1	Very high	77 Å²	77	18.6 Å²	18.6	36%	0.36	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	133.6	-175.7	-172	176.8	170.3	0	0	113.4	R442 R511 K517	R442-E515 IonicContact CZ-OE1 2.86Å; R442-E515 IonicContact CZ-OE2 3.42Å; R442-E515 IonicContact NH1-OE2 3.91Å; R442-E515 PolarHBondContact NH1-OE2 3.26Å; R442-E515 IonicContact NH2-OE1 2.74Å; R442-E515 PolarHBondContact NH2-OE1 3.46Å; R442-E515 IonicContact NH2-OE2 3.64Å; R442-E515 PolarHBondContact NH2-OE2 3.16Å; R511-E515 PolarHBondContact O-N 3.47Å; E515-K517 PolarHBondContact O-N 2.97Å
516	G	92.1	Very high	92.4	Very high	41 Å²	41	20.1 Å²	20.1	42%	0.423	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	-4.1	-178.6	0	0	0	0	0	114.6	M514 G540	M514-G516 PolarHBondContact O-N 3.24Å; G516-G540 PolarHBondContact N-O 3.37Å
517	K	94.6	Very high	91.6	Very high	39 Å²	39	22.8 Å²	22.8	17%	0.17	13%	0.132	C	C	.	.			trans	-69.1	142.5	177.4	-70	-168.9	167.9	-76.2	0	112.1	L513 M514 E515 L541 Q542 D591 C843 L845	L513-K517 WeakPolarHBondContact O-CE 3.48Å; M514-K517 HydrophobicContact CE-CD 3.96Å; M514-K517 VanDerWaalsContact O-CB 3.27Å; M514-K517 WeakPolarHBondContact O-CB 3.36Å; M514-K517 WeakPolarHBondContact O-CG 3.16Å; M514-K517 PolarHBondContact O-N 3.16Å; M514-K517 VanDerWaalsContact O-N 3.14Å; M514-K517 HydrophobicContact SD-CD 4.04Å; E515-K517 PolarHBondContact O-N 2.97Å; K517-L541 HydrophobicContact CB-CD2 4.03Å; K517-Q542 PolarHBondContact O-N 3.23Å; K517-D591 VanDerWaalsContact CA-OD2 3.26Å; K517-D591 WeakPolarHBondContact CA-OD2 3.47Å; K517-D591 HydrophobicContact CB-CB 4Å; K517-D591 HydrophobicContact CD-CB 4.13Å; K517-D591 HydrophobicContact CG-CB 4.2Å; K517-D591 IonicContact NZ-OD1 2.81Å; K517-D591 PolarHBondContact NZ-OD1 3.07Å; K517-C843 HydrophobicContact CD-CB 4.33Å; K517-L845 HydrophobicContact CD-CD1 4.4Å
518	Q	96.4	Very high	91.1	Very high	49 Å²	49	23.4 Å²	23.4	23%	0.229	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	117.7	177.4	-74.8	177.3	50.7	0	0	110.6	Q542 H544 K589 L590 D591 G592	Q518-Q542 CarbonylContact C-O 3.56Å; Q518-Q542 VanDerWaalsContact CA-O 3.3Å; Q518-Q542 WeakPolarHBondContact CA-O 3.45Å; Q518-Q542 HydrophobicContact CG-CB 3.85Å; Q518-H544 PolarHBondContact OE1-NE2 2.95Å; Q518-K589 WeakPolarHBondContact CB-O 3.4Å; Q518-K589 PolarHBondContact OE1-O 3.22Å; Q518-L590 HydrophobicContact CB-CD2 4.44Å; Q518-D591 PolarHBondContact N-OD2 2.93Å; Q518-D591 PolarHBondContact O-N 3.36Å; Q518-G592 PolarHBondContact O-N 3.43Å
519	L	96.8	Very high	90.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.3	179.1	-77.2	176.2	0	0	0	111.2	M514 L541 Q542 L543 H544 G592 F594 V839 C843	M514-L519 HydrophobicContact CE-CD1 4.44Å; L519-L541 HydrophobicContact CD1-CD1 3.75Å; L519-L541 HydrophobicContact CD1-CD2 3.76Å; L519-L541 HydrophobicContact CD1-CG 4.31Å; L519-L541 HydrophobicContact CG-CD2 4.35Å; L519-Q542 PolarHBondContact N-O 2.84Å; L519-L543 HydrophobicContact CB-CD2 3.98Å; L519-L543 CarbonylContact O-C 2.98Å; L519-L543 WeakPolarHBondContact O-CA 3.31Å; L519-H544 PolarHBondContact O-N 2.93Å; L519-G592 WeakPolarHBondContact CA-O 3.42Å; L519-G592 VanDerWaalsContact CD2-CA 3.49Å; L519-G592 WeakPolarHBondContact CD2-O 3.36Å; L519-F594 HydrophobicContact CD1-CD1 4.43Å; L519-F594 HydrophobicContact CD1-CE1 4.14Å; L519-V839 HydrophobicContact CD1-CB 3.74Å; L519-V839 HydrophobicContact CD1-CG1 3.92Å; L519-C843 VanDerWaalsContact CD2-SG 3.59Å
520	L	97.7	Very high	90.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.2	167.9	-174.2	69.9	0	0	0	109.9	H544 V546 I562 V583 L590 G592 C593 F594 L607	L520-H544 CarbonylContact C-O 3.5Å; L520-H544 WeakPolarHBondContact CA-O 3.29Å; L520-H544 HydrophobicContact CD1-CB 3.7Å; L520-V546 HydrophobicContact CD1-CG2 3.82Å; L520-V546 HydrophobicContact CD2-CG2 4.35Å; L520-V546 HydrophobicContact CG-CG2 4.24Å; L520-I562 HydrophobicContact CD1-CD1 4.46Å; L520-V583 HydrophobicContact CD2-CG2 3.92Å; L520-L590 HydrophobicContact CB-CD1 3.68Å; L520-L590 HydrophobicContact CB-CD2 4.05Å; L520-L590 HydrophobicContact CB-CG 4.48Å; L520-L590 HydrophobicContact CD2-CD1 3.97Å; L520-L590 HydrophobicContact CG-CD1 4.38Å; L520-G592 PolarHBondContact N-O 3.42Å; L520-C593 HydrophobicContact CB-CB 4.05Å; L520-C593 CarbonylContact O-C 3.48Å; L520-C593 VanDerWaalsContact O-CA 3.23Å; L520-C593 WeakPolarHBondContact O-CA 3.3Å; L520-C593 PolarHBondContact O-SG 3.27Å; L520-C593 VanDerWaalsContact O-SG 3.34Å; L520-F594 PolarHBondContact O-N 3.42Å; L520-L607 HydrophobicContact CD2-CD2 3.59Å; L520-L607 HydrophobicContact CD2-CG 4.48Å
521	V	96.9	Very high	90.1	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.6	173.8	-173.5	0	0	0	0	108.6	W533 L543 H544 L545 V546 F594 Y596	V521-W533 HydrophobicContact CB-CH2 4.2Å; V521-W533 HydrophobicContact CG1-CH2 4.02Å; V521-W533 HydrophobicContact CG2-CH2 4.44Å; V521-W533 HydrophobicContact CG2-CZ3 4.48Å; V521-L543 HydrophobicContact CG2-CD2 4.16Å; V521-H544 PolarHBondContact N-O 3.3Å; V521-L545 HydrophobicContact CB-CD1 4.45Å; V521-L545 HydrophobicContact CG1-CD1 4.48Å; V521-L545 WeakPolarHBondContact O-CA 3.46Å; V521-V546 PolarHBondContact O-N 3.5Å; V521-F594 WeakPolarHBondContact CA-O 3.47Å; V521-F594 HydrophobicContact CG2-CD1 4.38Å; V521-F594 HydrophobicContact CG2-CE1 3.68Å; V521-F594 HydrophobicContact CG2-CZ 4.17Å; V521-Y596 HydrophobicContact CG1-CE1 3.89Å
522	V	96.2	Very high	90	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.4	177.2	-175.5	0	0	0	0	108.7	V546 M566 F594 S595 C600 L603 T604 L607	V522-V546 HydrophobicContact CG2-CG2 4.48Å; V522-M566 HydrophobicContact CG1-SD 3.42Å; V522-M566 WeakPolarHBondContact CG1-SD 3.24Å; V522-F594 PolarHBondContact N-O 2.99Å; V522-S595 WeakPolarHBondContact O-CB 3.43Å; V522-S595 PolarHBondContact O-OG 3.08Å; V522-C600 HydrophobicContact CB-CB 4.48Å; V522-C600 HydrophobicContact CG1-CB 3.98Å; V522-C600 WeakPolarHBondContact O-CB 3.22Å; V522-L603 HydrophobicContact CG1-CD2 4.16Å; V522-L603 HydrophobicContact CG1-CG 4.47Å; V522-T604 WeakPolarHBondContact CB-OG1 3.45Å; V522-L607 HydrophobicContact CG2-CD2 4.1Å
523	G	92.7	Very high	89.9	Confident	2 Å²	2	26.8 Å²	26.8	2%	0.021	15%	0.153	C	C	.	.			trans	80.4	117	-174.3	0	0	0	0	0	112.1	V546	G523-V546 PolarHBondContact N-O 2.87Å
524	A	88.6	Confident	89.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.			trans	-84	-20.2	-177.6	0	0	0	0	0	113.4	W533 L545 E547 H552 A554 Y596	A524-W533 HydrophobicContact CB-CZ2 3.73Å; A524-L545 HydrophobicContact CB-CD1 3.84Å; A524-L545 HydrophobicContact CB-CD2 3.93Å; A524-E547 HydrophobicContact CB-CG 4.25Å; A524-E547 WeakPolarHBondContact CB-OE2 3.41Å; A524-E547 PolarHBondContact N-OE2 3.46Å; A524-H552 WeakPolarHBondContact CB-CE1 3.5Å; A524-H552 WeakPolarHBondContact CB-ND1 3.4Å; A524-A554 HydrophobicContact CB-CB 4.16Å; A524-Y596 VanDerWaalsContact C-OH 3.3Å; A524-Y596 WeakPolarHBondContact O-CE2 3.45Å; A524-Y596 PolarHBondContact O-OH 2.76Å
525	G	85	Confident	89.7	Confident	10 Å²	10	30.2 Å²	30.2	10%	0.103	17%	0.17	C	C	.	.			trans	63.1	175.4	-175.8	0	0	0	0	0	113.1	H552	G525-H552 PolarHBondContact O-CE1 2.8Å; G525-H552 PolarHBondContact O-NE2 3.37Å
526	G	79.7	Confident	89.6	Confident	32 Å²	32	26.7 Å²	26.7	33%	0.33	15%	0.154	S	C	.	.			trans	-72.8	-173.9	-179.6	0	0	0	0	0	114.9	S528 K529	G526-S528 PolarHBondContact O-N 2.91Å; G526-K529 WeakPolarHBondContact O-CB 3.38Å; G526-K529 PolarHBondContact O-N 3.25Å
527	V	74.5	Confident	89.5	Confident	60 Å²	60	32.9 Å²	32.9	36%	0.364	16%	0.164	S	C	.	.	G	3₁₀ helix	trans	-59	-30.8	-179.6	172.8	0	0	0	0	112.8	K529 K530 E898	V527-K529 PolarHBondContact O-N 2.91Å; V527-K530 VanDerWaalsContact O-CB 3.31Å; V527-K530 WeakPolarHBondContact O-CB 3.26Å; V527-K530 PolarHBondContact O-N 2.9Å; V527-E898 HydrophobicContact CB-CG 3.98Å; V527-E898 HydrophobicContact CG1-CG 4.16Å; V527-E898 WeakPolarHBondContact CG1-OE1 3.4Å; V527-E898 HydrophobicContact CG2-CG 3.9Å; V527-E898 WeakPolarHBondContact CG2-OE1 3.35Å
528	S	78.9	Confident	89.3	Confident	36 Å²	36	35.6 Å²	35.6	25%	0.252	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-58.3	-14.4	173.1	64.8	0	0	0	0	113.7	G526 F531	G526-S528 PolarHBondContact O-N 2.91Å; S528-F531 WeakPolarHBondContact O-CD1 3.47Å; S528-F531 WeakPolarHBondContact O-CE1 3.23Å
529	K	86.1	Confident	89.1	Confident	31 Å²	31	33.5 Å²	33.5	14%	0.135	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-100.8	7.6	178.4	-50.1	-56.2	176.9	-169.4	0	113.7	G526 V527 F531 V532 Y596	G526-K529 WeakPolarHBondContact O-CB 3.38Å; G526-K529 PolarHBondContact O-N 3.25Å; V527-K529 PolarHBondContact O-N 2.91Å; K529-F531 HydrophobicContact CD-CE1 4.18Å; K529-F531 PolarHBondContact O-N 3.37Å; K529-F531 VanDerWaalsContact O-N 3.12Å; K529-V532 WeakPolarHBondContact O-CB 3.45Å; K529-V532 PolarHBondContact O-N 3.45Å; K529-Y596 HydrophobicContact CB-CD2 4.36Å; K529-Y596 HydrophobicContact CB-CE2 3.62Å; K529-Y596 HydrophobicContact CD-CD2 4.19Å; K529-Y596 HydrophobicContact CD-CE2 4.27Å; K529-Y596 HydrophobicContact CG-CD2 4.13Å; K529-Y596 HydrophobicContact CG-CE2 3.73Å
530	K	85.3	Confident	88.9	Confident	108 Å²	108	35 Å²	35	47%	0.47	19%	0.186	S	C	.	.	H	α-helix	trans	-51.9	-37.1	177.8	-172.4	179.4	178	-165.9	0	113.1	V527 V532 W533 E534 F553	V527-K530 VanDerWaalsContact O-CB 3.31Å; V527-K530 WeakPolarHBondContact O-CB 3.26Å; V527-K530 PolarHBondContact O-N 2.9Å; K530-V532 PolarHBondContact O-N 3.11Å; K530-V532 VanDerWaalsContact O-N 3.14Å; K530-W533 PolarHBondContact O-N 3.34Å; K530-W533 VanDerWaalsContact O-N 3.16Å; K530-E534 WeakPolarHBondContact CE-OE1 3.32Å; K530-E534 IonicContact NZ-OE1 3.95Å; K530-E534 PolarHBondContact O-N 2.91Å; K530-F553 HydrophobicContact CB-CZ 4.41Å; K530-F553 HydrophobicContact CG-CE2 4.34Å
531	F	87.6	Confident	88.8	Confident	46 Å²	46	35.5 Å²	35.5	20%	0.202	19%	0.189	C	C	.	.	H	α-helix	trans	-57.2	-28.1	179	75.1	-92.5	0	0	0	113.3	S528 K529 W533 E534 A535 M817 L835	S528-F531 WeakPolarHBondContact O-CD1 3.47Å; S528-F531 WeakPolarHBondContact O-CE1 3.23Å; K529-F531 HydrophobicContact CD-CE1 4.18Å; K529-F531 PolarHBondContact O-N 3.37Å; K529-F531 VanDerWaalsContact O-N 3.12Å; F531-W533 VanDerWaalsContact C-N 3.33Å; F531-W533 PolarHBondContact O-N 3.5Å; F531-E534 PolarHBondContact O-N 3.49Å; F531-A535 WeakPolarHBondContact O-CB 3.35Å; F531-A535 PolarHBondContact O-N 3.4Å; F531-M817 HydrophobicContact CE2-CE 3.97Å; F531-M817 HydrophobicContact CZ-CE 3.74Å; F531-L835 HydrophobicContact CD2-CD2 4.48Å; F531-L835 HydrophobicContact CE2-CD2 4.34Å
532	V	90.8	Very high	88.7	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-64.5	-42.2	-179.4	177.9	0	0	0	0	110.6	K529 K530 A536 Y596 M817 L835	K529-V532 WeakPolarHBondContact O-CB 3.45Å; K529-V532 PolarHBondContact O-N 3.45Å; K530-V532 PolarHBondContact O-N 3.11Å; K530-V532 VanDerWaalsContact O-N 3.14Å; V532-A536 WeakPolarHBondContact O-CB 3.4Å; V532-A536 PolarHBondContact O-N 2.97Å; V532-Y596 HydrophobicContact CB-CD1 4.39Å; V532-Y596 HydrophobicContact CB-CE1 3.87Å; V532-Y596 HydrophobicContact CG1-CD1 3.81Å; V532-Y596 HydrophobicContact CG1-CE1 3.36Å; V532-Y596 HydrophobicContact CG2-CD1 3.97Å; V532-Y596 HydrophobicContact CG2-CD2 4.43Å; V532-Y596 HydrophobicContact CG2-CE1 3.85Å; V532-Y596 HydrophobicContact CG2-CE2 4.33Å; V532-Y596 HydrophobicContact CG2-CG 4.24Å; V532-M817 HydrophobicContact CG2-CE 4.15Å; V532-L835 HydrophobicContact CB-CD2 4.27Å; V532-L835 HydrophobicContact CG1-CD1 4.13Å; V532-L835 HydrophobicContact CG1-CD2 4.03Å; V532-L835 HydrophobicContact CG2-CD2 4.28Å
533	W	90.9	Very high	88.7	Confident	10 Å²	10	39.6 Å²	39.6	4%	0.038	21%	0.208	C	C	.	.	H	α-helix	trans	-69.3	-40.8	-179.9	-53.3	101.3	0	0	0	111.9	V521 A524 K530 F531 R537 L543 L545 F553 A554 L557 V558 Y596	V521-W533 HydrophobicContact CB-CH2 4.2Å; V521-W533 HydrophobicContact CG1-CH2 4.02Å; V521-W533 HydrophobicContact CG2-CH2 4.44Å; V521-W533 HydrophobicContact CG2-CZ3 4.48Å; A524-W533 HydrophobicContact CB-CZ2 3.73Å; K530-W533 PolarHBondContact O-N 3.34Å; K530-W533 VanDerWaalsContact O-N 3.16Å; F531-W533 VanDerWaalsContact C-N 3.33Å; F531-W533 PolarHBondContact O-N 3.5Å; W533-R537 PolarHBondContact O-N 3Å; W533-L543 HydrophobicContact CE3-CD1 3.55Å; W533-L543 HydrophobicContact CZ3-CD1 3.61Å; W533-L545 HydrophobicContact CH2-CB 4.24Å; W533-L545 HydrophobicContact CH2-CD1 3.84Å; W533-L545 HydrophobicContact CH2-CD2 3.89Å; W533-L545 HydrophobicContact CH2-CG 4.2Å; W533-L545 HydrophobicContact CZ2-CD1 4.34Å; W533-L545 HydrophobicContact CZ2-CD2 4.26Å; W533-F553 AromaticContact CD1-CE2 3.73Å; W533-F553 AromaticContact CD1-CZ 3.97Å; W533-F553 AromaticContact NE1-CZ 3.93Å; W533-A554 HydrophobicContact CD2-CB 3.85Å; W533-A554 HydrophobicContact CE3-CB 4.31Å; W533-A554 HydrophobicContact CG-CB 4.44Å; W533-A554 HydrophobicContact CH2-CB 4.07Å; W533-A554 HydrophobicContact CZ2-CB 3.51Å; W533-A554 HydrophobicContact CZ3-CB 4.42Å; W533-L557 HydrophobicContact CB-CD1 3.69Å; W533-L557 HydrophobicContact CG-CD1 3.99Å; W533-V558 HydrophobicContact CE3-CG1 3.91Å; W533-V558 HydrophobicContact CH2-CG1 4.24Å; W533-V558 HydrophobicContact CZ3-CG1 3.4Å; W533-Y596 VanDerWaalsContact CZ2-OH 3.25Å; W533-Y596 WeakPolarHBondContact CZ2-OH 3.4Å
534	E	89.3	Confident	88.8	Confident	82 Å²	82	39.8 Å²	39.8	38%	0.383	21%	0.208	S	C	.	.	H	α-helix	trans	-65	-48.5	176	-67.2	174.6	178.1	0	0	110.9	K530 F531 A536 R537 D538	K530-E534 WeakPolarHBondContact CE-OE1 3.32Å; K530-E534 IonicContact NZ-OE1 3.95Å; K530-E534 PolarHBondContact O-N 2.91Å; F531-E534 PolarHBondContact O-N 3.49Å; E534-A536 PolarHBondContact O-N 3.23Å; E534-R537 WeakPolarHBondContact O-CB 3.33Å; E534-R537 PolarHBondContact O-N 2.81Å; E534-D538 VanDerWaalsContact O-CG 3.3Å; E534-D538 PolarHBondContact O-N 2.88Å
535	A	91	Very high	89.2	Confident	9 Å²	9	39.8 Å²	39.8	7%	0.074	21%	0.208	C	C	.	.	H	α-helix	trans	-64.5	-41.4	179	0	0	0	0	0	112.3	F531 R537 D538 Y539 L835	F531-A535 WeakPolarHBondContact O-CB 3.35Å; F531-A535 PolarHBondContact O-N 3.4Å; A535-R537 VanDerWaalsContact C-N 3.32Å; A535-R537 PolarHBondContact O-N 3.48Å; A535-D538 CarbonylContact O-C 3.37Å; A535-D538 WeakPolarHBondContact O-CA 3.23Å; A535-D538 WeakPolarHBondContact O-CB 3.3Å; A535-D538 PolarHBondContact O-N 2.89Å; A535-Y539 HydrophobicContact CB-CE1 4.43Å; A535-Y539 HydrophobicContact CB-CE2 4.1Å; A535-Y539 VanDerWaalsContact O-CD1 3.24Å; A535-Y539 WeakPolarHBondContact O-CD1 3.36Å; A535-Y539 VanDerWaalsContact O-CD2 3.31Å; A535-Y539 WeakPolarHBondContact O-CD2 3.45Å; A535-Y539 PolarHBondContact O-N 3.37Å; A535-L835 HydrophobicContact CB-CD2 3.68Å
536	A	91.5	Very high	89.8	Confident	3 Å²	3	39.3 Å²	39.3	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-37.2	178.3	0	0	0	0	0	112.7	V532 E534 D538 Y539 G540 L541 L543	V532-A536 WeakPolarHBondContact O-CB 3.4Å; V532-A536 PolarHBondContact O-N 2.97Å; E534-A536 PolarHBondContact O-N 3.23Å; A536-D538 VanDerWaalsContact C-N 3.34Å; A536-Y539 PolarHBondContact O-N 3.4Å; A536-G540 PolarHBondContact O-N 3.31Å; A536-L541 HydrophobicContact CB-CD1 3.94Å; A536-L541 WeakPolarHBondContact O-CB 3.41Å; A536-L541 PolarHBondContact O-N 2.78Å; A536-L541 VanDerWaalsContact O-N 3.12Å; A536-L543 HydrophobicContact CB-CD1 3.65Å; A536-L543 HydrophobicContact CB-CD2 4.21Å; A536-L543 HydrophobicContact CB-CG 4.25Å
537	R	89.9	Confident	90.5	Very high	171 Å²	171	38.8 Å²	38.8	65%	0.645	19%	0.192	S	C	*	.	H	α-helix	trans	-62.2	-42.7	170.1	-177.7	-172.1	64.3	-160.5	-6.1	111.1	W533 E534 A535 Y539 G540	W533-R537 PolarHBondContact O-N 3Å; E534-R537 WeakPolarHBondContact O-CB 3.33Å; E534-R537 PolarHBondContact O-N 2.81Å; A535-R537 VanDerWaalsContact C-N 3.32Å; A535-R537 PolarHBondContact O-N 3.48Å; R537-Y539 PolarHBondContact O-N 3.42Å; R537-G540 WeakPolarHBondContact O-CA 3.38Å; R537-G540 PolarHBondContact O-N 3.17Å
538	D	89.1	Confident	91.4	Very high	97 Å²	97	37.3 Å²	37.3	52%	0.519	19%	0.185	S	C	.	.	H	α-helix	trans	-67.1	-22.9	178	-66.6	-5.3	0	0	0	113.1	E534 A535 A536 G540	E534-D538 VanDerWaalsContact O-CG 3.3Å; E534-D538 PolarHBondContact O-N 2.88Å; A535-D538 CarbonylContact O-C 3.37Å; A535-D538 WeakPolarHBondContact O-CA 3.23Å; A535-D538 WeakPolarHBondContact O-CB 3.3Å; A535-D538 PolarHBondContact O-N 2.89Å; A536-D538 VanDerWaalsContact C-N 3.34Å; D538-G540 VanDerWaalsContact C-N 3.27Å
539	Y	93.1	Very high	91.9	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.02	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.4	170.3	-52.4	-26.5	0	0	0	113	R511 A535 A536 R537 L541 D833 L835 L836 V839	R511-Y539 HydrophobicContact CG-CD1 4.41Å; A535-Y539 HydrophobicContact CB-CE1 4.43Å; A535-Y539 HydrophobicContact CB-CE2 4.1Å; A535-Y539 VanDerWaalsContact O-CD1 3.24Å; A535-Y539 WeakPolarHBondContact O-CD1 3.36Å; A535-Y539 VanDerWaalsContact O-CD2 3.31Å; A535-Y539 WeakPolarHBondContact O-CD2 3.45Å; A535-Y539 PolarHBondContact O-N 3.37Å; A536-Y539 PolarHBondContact O-N 3.4Å; R537-Y539 PolarHBondContact O-N 3.42Å; Y539-L541 HydrophobicContact CD2-CD1 3.83Å; Y539-L541 HydrophobicContact CG-CD1 4.45Å; Y539-D833 WeakPolarHBondContact CE1-OD2 3.26Å; Y539-D833 PolarHBondContact OH-OD1 2.86Å; Y539-D833 PolarHBondContact OH-OD2 2.9Å; Y539-L835 HydrophobicContact CE2-CD2 4.1Å; Y539-L835 HydrophobicContact CE2-CG 4.05Å; Y539-L836 HydrophobicContact CD1-CD1 4.06Å; Y539-L836 HydrophobicContact CD2-CD1 4.08Å; Y539-L836 HydrophobicContact CE1-CB 4.12Å; Y539-L836 HydrophobicContact CE1-CD1 4.31Å; Y539-L836 HydrophobicContact CE2-CB 4.22Å; Y539-L836 HydrophobicContact CE2-CD1 4.36Å; Y539-L836 HydrophobicContact CG-CD1 3.95Å; Y539-V839 HydrophobicContact CD2-CG2 4.35Å
540	G	92.4	Very high	92.1	Very high	30 Å²	30	40.4 Å²	40.4	31%	0.309	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	25.2	-177	0	0	0	0	0	113.9	G516 A536 R537 D538	G516-G540 PolarHBondContact N-O 3.37Å; A536-G540 PolarHBondContact O-N 3.31Å; R537-G540 WeakPolarHBondContact O-CA 3.38Å; R537-G540 PolarHBondContact O-N 3.17Å; D538-G540 VanDerWaalsContact C-N 3.27Å
541	L	95.1	Very high	92.4	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.063	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-78.1	151.6	-178.4	-65.6	166.3	0	0	0	112.5	M514 K517 L519 A536 Y539 L543 V839	M514-L541 HydrophobicContact CB-CD2 4.21Å; M514-L541 HydrophobicContact CE-CD2 3.75Å; M514-L541 WeakPolarHBondContact O-CD2 3.45Å; K517-L541 HydrophobicContact CB-CD2 4.03Å; L519-L541 HydrophobicContact CD1-CD1 3.75Å; L519-L541 HydrophobicContact CD1-CD2 3.76Å; L519-L541 HydrophobicContact CD1-CG 4.31Å; L519-L541 HydrophobicContact CG-CD2 4.35Å; A536-L541 HydrophobicContact CB-CD1 3.94Å; A536-L541 WeakPolarHBondContact O-CB 3.41Å; A536-L541 PolarHBondContact O-N 2.78Å; A536-L541 VanDerWaalsContact O-N 3.12Å; Y539-L541 HydrophobicContact CD2-CD1 3.83Å; Y539-L541 HydrophobicContact CG-CD1 4.45Å; L541-L543 HydrophobicContact CB-CD2 4.04Å; L541-L543 HydrophobicContact CD1-CD2 4.45Å; L541-V839 HydrophobicContact CD1-CG2 4.36Å
542	Q	95.1	Very high	92.6	Very high	76 Å²	76	40.7 Å²	40.7	36%	0.355	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.3	163.2	-63.5	-175.8	-5.3	0	0	108	K517 Q518 L519	K517-Q542 PolarHBondContact O-N 3.23Å; Q518-Q542 CarbonylContact C-O 3.56Å; Q518-Q542 VanDerWaalsContact CA-O 3.3Å; Q518-Q542 WeakPolarHBondContact CA-O 3.45Å; Q518-Q542 HydrophobicContact CG-CB 3.85Å; L519-Q542 PolarHBondContact N-O 2.84Å
543	L	95.6	Very high	92.5	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	136.6	-177.7	-59.4	-174.5	0	0	0	112.2	L519 V521 W533 A536 L541 V558 Q559	L519-L543 HydrophobicContact CB-CD2 3.98Å; L519-L543 CarbonylContact O-C 2.98Å; L519-L543 WeakPolarHBondContact O-CA 3.31Å; V521-L543 HydrophobicContact CG2-CD2 4.16Å; W533-L543 HydrophobicContact CE3-CD1 3.55Å; W533-L543 HydrophobicContact CZ3-CD1 3.61Å; A536-L543 HydrophobicContact CB-CD1 3.65Å; A536-L543 HydrophobicContact CB-CD2 4.21Å; A536-L543 HydrophobicContact CB-CG 4.25Å; L541-L543 HydrophobicContact CB-CD2 4.04Å; L541-L543 HydrophobicContact CD1-CD2 4.45Å; L543-V558 HydrophobicContact CB-CB 4.41Å; L543-V558 HydrophobicContact CB-CG1 3.95Å; L543-V558 WeakPolarHBondContact O-CB 3.22Å; L543-Q559 PolarHBondContact O-N 3.48Å; L543-Q559 PolarHBondContact O-OE1 3.08Å
544	H	96.6	Very high	92.5	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.028	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	137	163.4	-49.7	-82.2	0	0	0	107	Q518 L519 L520 V521 T560 L588	Q518-H544 PolarHBondContact OE1-NE2 2.95Å; L519-H544 PolarHBondContact O-N 2.93Å; L520-H544 CarbonylContact C-O 3.5Å; L520-H544 WeakPolarHBondContact CA-O 3.29Å; L520-H544 HydrophobicContact CD1-CB 3.7Å; V521-H544 PolarHBondContact N-O 3.3Å; H544-T560 CarbonylContact C-O 3.56Å; H544-T560 WeakPolarHBondContact CA-O 3.43Å; H544-T560 VanDerWaalsContact ND1-CB 3.27Å; H544-T560 WeakPolarHBondContact ND1-CB 3.43Å; H544-T560 PolarHBondContact ND1-OG1 3.33Å; H544-L588 HydrophobicContact CB-CD1 4.34Å
545	L	96.8	Very high	92.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	134.7	-176.2	166.2	64.1	0	0	0	110.8	V521 A524 W533 E547 A554 V558 T560 F561 I562	V521-L545 HydrophobicContact CB-CD1 4.45Å; V521-L545 HydrophobicContact CG1-CD1 4.48Å; V521-L545 WeakPolarHBondContact O-CA 3.46Å; A524-L545 HydrophobicContact CB-CD1 3.84Å; A524-L545 HydrophobicContact CB-CD2 3.93Å; W533-L545 HydrophobicContact CH2-CB 4.24Å; W533-L545 HydrophobicContact CH2-CD1 3.84Å; W533-L545 HydrophobicContact CH2-CD2 3.89Å; W533-L545 HydrophobicContact CH2-CG 4.2Å; W533-L545 HydrophobicContact CZ2-CD1 4.34Å; W533-L545 HydrophobicContact CZ2-CD2 4.26Å; L545-E547 HydrophobicContact CD1-CB 4.13Å; L545-E547 HydrophobicContact CD2-CB 4.17Å; L545-E547 HydrophobicContact CG-CB 4Å; L545-A554 HydrophobicContact CD2-CB 3.76Å; L545-V558 HydrophobicContact CB-CB 4.37Å; L545-V558 HydrophobicContact CB-CG1 3.9Å; L545-V558 HydrophobicContact CB-CG2 4.12Å; L545-T560 PolarHBondContact N-O 3.01Å; L545-F561 HydrophobicContact CB-CD2 4.48Å; L545-F561 HydrophobicContact CD2-CD2 3.94Å; L545-F561 HydrophobicContact CD2-CE2 3.92Å; L545-F561 HydrophobicContact CG-CD2 4.17Å; L545-F561 HydrophobicContact CG-CE2 4.27Å; L545-I562 PolarHBondContact O-N 2.92Å
546	V	97.1	Very high	92.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.7	162.8	-169.9	0	0	0	0	108.4	L520 V521 V522 G523 I562 F564 M566 L579	L520-V546 HydrophobicContact CD1-CG2 3.82Å; L520-V546 HydrophobicContact CD2-CG2 4.35Å; L520-V546 HydrophobicContact CG-CG2 4.24Å; V521-V546 PolarHBondContact O-N 3.5Å; V522-V546 HydrophobicContact CG2-CG2 4.48Å; G523-V546 PolarHBondContact N-O 2.87Å; V546-I562 WeakPolarHBondContact CA-O 3.37Å; V546-I562 HydrophobicContact CG2-CB 4.3Å; V546-I562 HydrophobicContact CG2-CD1 4.36Å; V546-F564 HydrophobicContact CG1-CB 3.7Å; V546-F564 HydrophobicContact CG1-CG 4.46Å; V546-M566 HydrophobicContact CB-SD 4.03Å; V546-M566 HydrophobicContact CG1-CG 4.25Å; V546-M566 HydrophobicContact CG1-SD 3.53Å; V546-M566 VanDerWaalsContact CG1-SD 3.53Å; V546-M566 WeakPolarHBondContact O-CE 3.34Å; V546-L579 HydrophobicContact CG1-CD1 4.18Å; V546-L579 HydrophobicContact CG1-CD2 3.62Å; V546-L579 HydrophobicContact CG2-CD2 4.15Å
547	E	95	Very high	92.6	Very high	21 Å²	21	53 Å²	53	10%	0.098	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	144.8	-177.1	-175.9	44.7	-110.7	0	0	111.6	A524 L545 D549 H552 F561 I562 H563 F564	A524-E547 HydrophobicContact CB-CG 4.25Å; A524-E547 WeakPolarHBondContact CB-OE2 3.41Å; A524-E547 PolarHBondContact N-OE2 3.46Å; L545-E547 HydrophobicContact CD1-CB 4.13Å; L545-E547 HydrophobicContact CD2-CB 4.17Å; L545-E547 HydrophobicContact CG-CB 4Å; E547-D549 HydrophobicContact CG-CB 4.49Å; E547-D549 PolarHBondContact OE1-N 3.02Å; E547-D549 VanDerWaalsContact OE1-N 3.12Å; E547-H552 HydrophobicContact CG-CB 3.79Å; E547-F561 HydrophobicContact CB-CE2 3.55Å; E547-F561 HydrophobicContact CB-CZ 3.83Å; E547-F561 HydrophobicContact CG-CE2 4.2Å; E547-F561 HydrophobicContact CG-CZ 4.35Å; E547-I562 PolarHBondContact N-O 3.3Å; E547-I562 VanDerWaalsContact N-O 3.08Å; E547-H563 WeakPolarHBondContact O-CA 3.48Å; E547-F564 CarbonylContact C-O 3.53Å; E547-F564 PolarHBondContact O-N 3.43Å
548	S	91.5	Very high	92.8	Very high	29 Å²	29	45.8 Å²	45.8	20%	0.203	25%	0.248	C	C	.	.	S	Bend	trans	-78.1	-38	176.9	-58.3	0	0	0	0	111.7	P550 H563 F564 M566	S548-P550 VanDerWaalsContact O-CD 3.26Å; S548-P550 WeakPolarHBondContact O-CD 3.44Å; S548-H563 PolarHBondContact O-CD2 3.26Å; S548-H563 PolarHBondContact O-NE2 2.99Å; S548-H563 VanDerWaalsContact O-NE2 3.08Å; S548-F564 VanDerWaalsContact CA-O 3.32Å; S548-F564 WeakPolarHBondContact CA-O 3.45Å; S548-F564 PolarHBondContact N-O 3.48Å; S548-F564 PolarHBondContact OG-O 2.82Å; S548-M566 PolarHBondContact OG-N 3.21Å
549	D	90.3	Very high	93	Very high	66 Å²	66	46.2 Å²	46.2	35%	0.353	25%	0.246	S	C	.	.			trans	-83.4	111.1	176.8	176.5	18.7	0	0	0	111.7	E547 N551 H552 F561	E547-D549 HydrophobicContact CG-CB 4.49Å; E547-D549 PolarHBondContact OE1-N 3.02Å; E547-D549 VanDerWaalsContact OE1-N 3.12Å; D549-N551 PolarHBondContact O-N 3.41Å; D549-N551 VanDerWaalsContact O-N 3.16Å; D549-N551 PolarHBondContact OD1-N 3.33Å; D549-H552 HydrophobicContact CB-CB 4.18Å; D549-H552 WeakPolarHBondContact O-CB 3.3Å; D549-H552 PolarHBondContact O-N 3.24Å; D549-H552 PolarHBondContact OD2-N 3.21Å; D549-F561 WeakPolarHBondContact O-CZ 3.47Å
550	P	90.3	Very high	93.1	Very high	66 Å²	66	47.4 Å²	47.4	43%	0.429	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.8	178.2	29.6	-36.1	0	0	0	113.6	S548	S548-P550 VanDerWaalsContact O-CD 3.26Å; S548-P550 WeakPolarHBondContact O-CD 3.44Å
551	N	91.6	Very high	93.3	Very high	138 Å²	138	48.3 Å²	48.3	74%	0.738	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	8.7	179.2	-58.2	-58.5	0	0	0	113.1	D549 F553	D549-N551 PolarHBondContact O-N 3.41Å; D549-N551 VanDerWaalsContact O-N 3.16Å; D549-N551 PolarHBondContact OD1-N 3.33Å; N551-F553 PolarHBondContact O-N 3.03Å
552	H	90.8	Very high	93.3	Very high	22 Å²	22	47.8 Å²	47.8	10%	0.102	25%	0.247	C	C	.	.			trans	-58.7	137.4	-177.4	-164.5	-89.6	0	0	0	111.7	A524 G525 E547 D549 A554 S555	A524-H552 WeakPolarHBondContact CB-CE1 3.5Å; A524-H552 WeakPolarHBondContact CB-ND1 3.4Å; G525-H552 PolarHBondContact O-CE1 2.8Å; G525-H552 PolarHBondContact O-NE2 3.37Å; E547-H552 HydrophobicContact CG-CB 3.79Å; D549-H552 HydrophobicContact CB-CB 4.18Å; D549-H552 WeakPolarHBondContact O-CB 3.3Å; D549-H552 PolarHBondContact O-N 3.24Å; D549-H552 PolarHBondContact OD2-N 3.21Å; H552-A554 VanDerWaalsContact ND1-CB 3.34Å; H552-A554 WeakPolarHBondContact ND1-CB 3.23Å; H552-A554 PolarHBondContact ND1-N 3.4Å; H552-A554 PolarHBondContact O-N 3.49Å; H552-A554 VanDerWaalsContact O-N 3.12Å; H552-S555 VanDerWaalsContact O-CB 3.25Å; H552-S555 WeakPolarHBondContact O-CB 3.39Å; H552-S555 PolarHBondContact O-N 3.37Å; H552-S555 PolarHBondContact O-OG 3.35Å
553	F	90.3	Very high	93.4	Very high	68 Å²	68	49.4 Å²	49.4	30%	0.298	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-58.2	-32.9	-175.3	73.3	-94	0	0	0	112.9	K530 W533 N551 S555 Q556 L557	K530-F553 HydrophobicContact CB-CZ 4.41Å; K530-F553 HydrophobicContact CG-CE2 4.34Å; W533-F553 AromaticContact CD1-CE2 3.73Å; W533-F553 AromaticContact CD1-CZ 3.97Å; W533-F553 AromaticContact NE1-CZ 3.93Å; N551-F553 PolarHBondContact O-N 3.03Å; F553-S555 PolarHBondContact O-N 3.29Å; F553-Q556 PolarHBondContact O-N 2.7Å; F553-L557 HydrophobicContact CD2-CD1 4.08Å; F553-L557 HydrophobicContact CE2-CD1 4.14Å
554	A	90.6	Very high	93.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-67.3	-17.4	-179.3	0	0	0	0	0	113.5	A524 W533 L545 H552 Q556 L557	A524-A554 HydrophobicContact CB-CB 4.16Å; W533-A554 HydrophobicContact CD2-CB 3.85Å; W533-A554 HydrophobicContact CE3-CB 4.31Å; W533-A554 HydrophobicContact CG-CB 4.44Å; W533-A554 HydrophobicContact CH2-CB 4.07Å; W533-A554 HydrophobicContact CZ2-CB 3.51Å; W533-A554 HydrophobicContact CZ3-CB 4.42Å; L545-A554 HydrophobicContact CD2-CB 3.76Å; H552-A554 VanDerWaalsContact ND1-CB 3.34Å; H552-A554 WeakPolarHBondContact ND1-CB 3.23Å; H552-A554 PolarHBondContact ND1-N 3.4Å; H552-A554 PolarHBondContact O-N 3.49Å; H552-A554 VanDerWaalsContact O-N 3.12Å; A554-Q556 PolarHBondContact O-N 2.99Å; A554-Q556 VanDerWaalsContact O-N 3.13Å; A554-L557 PolarHBondContact O-N 3.49Å
555	S	91.1	Very high	93	Very high	33 Å²	33	54.6 Å²	54.6	23%	0.231	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-56.5	-28.9	175.9	63.3	0	0	0	0	113	H552 F553	H552-S555 VanDerWaalsContact O-CB 3.25Å; H552-S555 WeakPolarHBondContact O-CB 3.39Å; H552-S555 PolarHBondContact O-N 3.37Å; H552-S555 PolarHBondContact O-OG 3.35Å; F553-S555 PolarHBondContact O-N 3.29Å
556	Q	90.9	Very high	92.6	Very high	173 Å²	173	54.9 Å²	54.9	81%	0.808	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-86.8	-9	178.9	-58.2	-178.8	8	0	0	113.3	F553 A554	F553-Q556 PolarHBondContact O-N 2.7Å; A554-Q556 PolarHBondContact O-N 2.99Å; A554-Q556 VanDerWaalsContact O-N 3.13Å
557	L	91.2	Very high	92.1	Very high	90 Å²	90	57.6 Å²	57.6	47%	0.471	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-5.2	-175	-56.3	-179.2	0	0	0	113	W533 F553 A554	W533-L557 HydrophobicContact CB-CD1 3.69Å; W533-L557 HydrophobicContact CG-CD1 3.99Å; F553-L557 HydrophobicContact CD2-CD1 4.08Å; F553-L557 HydrophobicContact CE2-CD1 4.14Å; A554-L557 PolarHBondContact O-N 3.49Å
558	V	93.9	Very high	91.6	Very high	20 Å²	20	61.1 Å²	61.1	12%	0.121	32%	0.315	C	S	.	.	S	Bend	trans	-115.6	155.9	-172	-62.7	0	0	0	0	112.3	W533 L543 L545 F561	W533-V558 HydrophobicContact CE3-CG1 3.91Å; W533-V558 HydrophobicContact CH2-CG1 4.24Å; W533-V558 HydrophobicContact CZ3-CG1 3.4Å; L543-V558 HydrophobicContact CB-CB 4.41Å; L543-V558 HydrophobicContact CB-CG1 3.95Å; L543-V558 WeakPolarHBondContact O-CB 3.22Å; L545-V558 HydrophobicContact CB-CB 4.37Å; L545-V558 HydrophobicContact CB-CG1 3.9Å; L545-V558 HydrophobicContact CB-CG2 4.12Å; V558-F561 HydrophobicContact CG2-CB 4.35Å
559	Q	94.3	Very high	91.5	Very high	106 Å²	106	60.1 Å²	60.1	50%	0.495	31%	0.308	S	S	.	.	S	Bend	trans	-73.7	-29.1	176.7	-74.2	72.7	23.6	0	0	112.1	L543	L543-Q559 PolarHBondContact O-N 3.48Å; L543-Q559 PolarHBondContact O-OE1 3.08Å
560	T	95.1	Very high	91.4	Very high	30 Å²	30	67.4 Å²	67.4	18%	0.184	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	131.6	178	-52.4	0	0	0	0	110.3	H544 L545 I562	H544-T560 CarbonylContact C-O 3.56Å; H544-T560 WeakPolarHBondContact CA-O 3.43Å; H544-T560 VanDerWaalsContact ND1-CB 3.27Å; H544-T560 WeakPolarHBondContact ND1-CB 3.43Å; H544-T560 PolarHBondContact ND1-OG1 3.33Å; L545-T560 PolarHBondContact N-O 3.01Å; T560-I562 HydrophobicContact CG2-CG1 4.41Å
561	F	96.5	Very high	91.5	Very high	48 Å²	48	69.3 Å²	69.3	21%	0.211	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	131.5	173.5	-174.6	-102.4	0	0	0	110.3	L545 E547 D549 V558 H563 R586	L545-F561 HydrophobicContact CB-CD2 4.48Å; L545-F561 HydrophobicContact CD2-CD2 3.94Å; L545-F561 HydrophobicContact CD2-CE2 3.92Å; L545-F561 HydrophobicContact CG-CD2 4.17Å; L545-F561 HydrophobicContact CG-CE2 4.27Å; E547-F561 HydrophobicContact CB-CE2 3.55Å; E547-F561 HydrophobicContact CB-CZ 3.83Å; E547-F561 HydrophobicContact CG-CE2 4.2Å; E547-F561 HydrophobicContact CG-CZ 4.35Å; D549-F561 WeakPolarHBondContact O-CZ 3.47Å; V558-F561 HydrophobicContact CG2-CB 4.35Å; F561-H563 HydrophobicContact CE1-CB 3.88Å; F561-R586 PolarHBondContact O-NH1 3.21Å
562	I	95.9	Very high	91.7	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	101.3	176.3	-55.5	177	0	0	0	106.8	L520 L545 V546 E547 T560 F564 L579 L582 V583 L588	L520-I562 HydrophobicContact CD1-CD1 4.46Å; L545-I562 PolarHBondContact O-N 2.92Å; V546-I562 WeakPolarHBondContact CA-O 3.37Å; V546-I562 HydrophobicContact CG2-CB 4.3Å; V546-I562 HydrophobicContact CG2-CD1 4.36Å; E547-I562 PolarHBondContact N-O 3.3Å; E547-I562 VanDerWaalsContact N-O 3.08Å; T560-I562 HydrophobicContact CG2-CG1 4.41Å; I562-F564 PolarHBondContact O-N 3.07Å; I562-L579 HydrophobicContact CG2-CD2 4.2Å; I562-L582 HydrophobicContact CG2-CD1 4.29Å; I562-V583 HydrophobicContact CD1-CG2 4.27Å; I562-L588 HydrophobicContact CD1-CD1 4.47Å
563	H	95.5	Very high	91.9	Very high	111 Å²	111	66.4 Å²	66.4	51%	0.514	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	118.2	170.8	178	-143	0	0	0	109.2	E547 S548 F561	E547-H563 WeakPolarHBondContact O-CA 3.48Å; S548-H563 PolarHBondContact O-CD2 3.26Å; S548-H563 PolarHBondContact O-NE2 2.99Å; S548-H563 VanDerWaalsContact O-NE2 3.08Å; F561-H563 HydrophobicContact CE1-CB 3.88Å
564	F	94.6	Very high	92.2	Very high	32 Å²	32	67.1 Å²	67.1	14%	0.14	32%	0.315	C	S	.	.			trans	-153.6	129.2	-180	-168.6	-82.9	0	0	0	109.1	V546 E547 S548 I562 M566 N575 L578 L579 L582	V546-F564 HydrophobicContact CG1-CB 3.7Å; V546-F564 HydrophobicContact CG1-CG 4.46Å; E547-F564 CarbonylContact C-O 3.53Å; E547-F564 PolarHBondContact O-N 3.43Å; S548-F564 VanDerWaalsContact CA-O 3.32Å; S548-F564 WeakPolarHBondContact CA-O 3.45Å; S548-F564 PolarHBondContact N-O 3.48Å; S548-F564 PolarHBondContact OG-O 2.82Å; I562-F564 PolarHBondContact O-N 3.07Å; F564-M566 HydrophobicContact CD1-CG 3.96Å; F564-M566 WeakPolarHBondContact O-CG 3.31Å; F564-M566 PolarHBondContact O-N 2.99Å; F564-N575 HydrophobicContact CE1-CB 3.63Å; F564-N575 HydrophobicContact CZ-CB 3.75Å; F564-L578 HydrophobicContact CE2-CB 4.13Å; F564-L578 HydrophobicContact CZ-CB 4.41Å; F564-L579 HydrophobicContact CB-CD2 3.87Å; F564-L579 HydrophobicContact CD1-CD1 4.07Å; F564-L579 HydrophobicContact CD1-CD2 4.1Å; F564-L579 HydrophobicContact CD1-CG 4.14Å; F564-L579 HydrophobicContact CD2-CD2 3.59Å; F564-L579 HydrophobicContact CD2-CG 3.98Å; F564-L579 HydrophobicContact CE1-CD1 4.19Å; F564-L579 HydrophobicContact CE1-CG 4.22Å; F564-L579 HydrophobicContact CE2-CD2 4.16Å; F564-L579 HydrophobicContact CE2-CG 4.04Å; F564-L579 HydrophobicContact CG-CD1 4.39Å; F564-L579 HydrophobicContact CG-CD2 3.57Å; F564-L579 HydrophobicContact CG-CG 4.04Å; F564-L579 HydrophobicContact CZ-CG 4.17Å; F564-L582 HydrophobicContact CD2-CD1 4.18Å
565	D	90.1	Very high	92.5	Very high	93 Å²	93	67.5 Å²	67.5	50%	0.497	32%	0.317	S	S	.	.			trans	-72.9	112.2	176.6	-177.7	3.1	0	0	0	110.4	T567	D565-T567 WeakPolarHBondContact OD1-CB 3.2Å; D565-T567 PolarHBondContact OD1-N 2.83Å; D565-T567 PolarHBondContact OD1-OG1 2.85Å
566	M	88.7	Confident	92.8	Very high	6 Å²	6	66 Å²	66	3%	0.03	31%	0.306	C	S	.	.			trans	-105.7	8.1	-179.3	-57.3	175.8	-62.4	0	0	112.8	V522 V546 S548 F564 H569 L603	V522-M566 HydrophobicContact CG1-SD 3.42Å; V522-M566 WeakPolarHBondContact CG1-SD 3.24Å; V546-M566 HydrophobicContact CB-SD 4.03Å; V546-M566 HydrophobicContact CG1-CG 4.25Å; V546-M566 HydrophobicContact CG1-SD 3.53Å; V546-M566 VanDerWaalsContact CG1-SD 3.53Å; V546-M566 WeakPolarHBondContact O-CE 3.34Å; S548-M566 PolarHBondContact OG-N 3.21Å; F564-M566 HydrophobicContact CD1-CG 3.96Å; F564-M566 WeakPolarHBondContact O-CG 3.31Å; F564-M566 PolarHBondContact O-N 2.99Å; M566-H569 PolarHBondContact O-CE1 3.42Å; M566-L603 HydrophobicContact CB-CD2 3.96Å; M566-L603 HydrophobicContact CG-CD2 3.79Å; M566-L603 HydrophobicContact SD-CD2 4.18Å
567	T	85.2	Confident	93.2	Very high	57 Å²	57	63.9 Å²	63.9	35%	0.35	29%	0.291	S	S	.	.			trans	-81.7	-19.7	-172.8	64.2	0	0	0	0	113.3	D565 H569 G717	D565-T567 WeakPolarHBondContact OD1-CB 3.2Å; D565-T567 PolarHBondContact OD1-N 2.83Å; D565-T567 PolarHBondContact OD1-OG1 2.85Å; T567-H569 PolarHBondContact O-N 2.85Å; T567-G717 WeakPolarHBondContact O-CA 3.41Å
568	E	86	Confident	93.5	Very high	95 Å²	95	62.8 Å²	62.8	44%	0.444	29%	0.285	S	S	.	.			trans	-95.8	87.2	178.2	-174.1	157.5	-138	0	0	112.8	R570 R571	E568-R570 VanDerWaalsContact C-N 3.26Å; E568-R570 PolarHBondContact O-N 3.3Å; E568-R571 HydrophobicContact CG-CG 4.29Å; E568-R571 PolarHBondContact O-N 3Å; E568-R571 VanDerWaalsContact O-N 3.14Å; E568-R571 WeakPolarHBondContact OE2-CD 3.13Å
569	H	89.6	Confident	93.7	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.037	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-71.7	-14.4	-173	-64.3	-61.4	0	0	0	115.5	M566 T567 R571 D572 D599 G717 W718	M566-H569 PolarHBondContact O-CE1 3.42Å; T567-H569 PolarHBondContact O-N 2.85Å; H569-R571 PolarHBondContact O-N 3.12Å; H569-D572 WeakPolarHBondContact CA-OD1 3.34Å; H569-D572 IonicContact ND1-OD1 2.72Å; H569-D572 PolarHBondContact ND1-OD1 2.93Å; H569-D572 IonicContact ND1-OD2 2.83Å; H569-D572 PolarHBondContact ND1-OD2 3.33Å; H569-D572 WeakPolarHBondContact O-CB 3.46Å; H569-D572 PolarHBondContact O-N 3.36Å; H569-D599 PolarHBondContact CE1-O 3.16Å; H569-G717 VanDerWaalsContact CD2-C 3.49Å; H569-W718 HydrophobicContact CB-CD2 3.58Å; H569-W718 HydrophobicContact CB-CE3 3.82Å; H569-W718 HydrophobicContact CB-CG 4.07Å; H569-W718 HydrophobicContact CB-CH2 3.86Å; H569-W718 HydrophobicContact CB-CZ2 3.68Å; H569-W718 HydrophobicContact CB-CZ3 3.97Å; H569-W718 AromaticContact CD2-CD1 3.19Å; H569-W718 AromaticContact CD2-CD2 3.95Å; H569-W718 AromaticContact CD2-CE2 3.54Å; H569-W718 AromaticContact CD2-CG 3.72Å; H569-W718 AromaticContact CD2-NE1 3.04Å; H569-W718 PolarHBondContact CD2-NE1 3.4Å; H569-W718 AromaticContact CE1-NE1 3.69Å; H569-W718 AromaticContact CG-CD1 3.79Å; H569-W718 AromaticContact CG-CD2 3.78Å; H569-W718 AromaticContact CG-CE2 3.28Å; H569-W718 AromaticContact CG-CZ2 3.56Å; H569-W718 AromaticContact CG-NE1 3.32Å; H569-W718 VanDerWaalsContact CG-NE1 3.32Å; H569-W718 AromaticContact ND1-CE2 3.71Å; H569-W718 AromaticContact ND1-CZ2 3.6Å; H569-W718 AromaticContact ND1-NE1 3.71Å; H569-W718 AromaticContact NE2-CD1 3.7Å; H569-W718 AromaticContact NE2-NE1 3.28Å; H569-W718 PolarHBondContact NE2-NE1 2.82Å
570	R	87.9	Confident	93.8	Very high	219 Å²	219	56.8 Å²	56.8	83%	0.826	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.1	171.5	-67.8	-177.9	-179.5	179.2	1.2	112.4	E568	E568-R570 VanDerWaalsContact C-N 3.26Å; E568-R570 PolarHBondContact O-N 3.3Å
571	R	92.3	Very high	93.9	Very high	106 Å²	106	61 Å²	61	40%	0.4	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-104.6	10.4	-178.7	-62.8	179.9	68.3	-161	-1.9	113	E568 H569 E573 E574 N575	E568-R571 HydrophobicContact CG-CG 4.29Å; E568-R571 PolarHBondContact O-N 3Å; E568-R571 VanDerWaalsContact O-N 3.14Å; E568-R571 WeakPolarHBondContact OE2-CD 3.13Å; H569-R571 PolarHBondContact O-N 3.12Å; R571-E573 PolarHBondContact O-N 3.28Å; R571-E574 IonicContact CZ-OE1 3.05Å; R571-E574 IonicContact CZ-OE2 2.86Å; R571-E574 IonicContact NE-OE2 2.66Å; R571-E574 PolarHBondContact NE-OE2 2.92Å; R571-E574 IonicContact NH2-OE1 3.89Å; R571-E574 PolarHBondContact NH2-OE1 3.03Å; R571-E574 IonicContact NH2-OE2 3.95Å; R571-E574 PolarHBondContact NH2-OE2 3.06Å; R571-E574 WeakPolarHBondContact O-CA 3.47Å; R571-E574 WeakPolarHBondContact O-CB 3.39Å; R571-E574 PolarHBondContact O-N 3.09Å; R571-N575 WeakPolarHBondContact O-CB 3.47Å; R571-N575 VanDerWaalsContact O-CG 3.24Å; R571-N575 PolarHBondContact O-N 3.06Å
572	D	94.8	Very high	93.9	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-52.3	-34.5	-176.1	-84.8	-4.8	0	0	0	114.3	H569 A576 L603 L606 W718	H569-D572 WeakPolarHBondContact CA-OD1 3.34Å; H569-D572 IonicContact ND1-OD1 2.72Å; H569-D572 PolarHBondContact ND1-OD1 2.93Å; H569-D572 IonicContact ND1-OD2 2.83Å; H569-D572 PolarHBondContact ND1-OD2 3.33Å; H569-D572 WeakPolarHBondContact O-CB 3.46Å; H569-D572 PolarHBondContact O-N 3.36Å; D572-A576 VanDerWaalsContact O-CB 3.23Å; D572-A576 WeakPolarHBondContact O-CB 3.38Å; D572-A576 PolarHBondContact O-N 2.9Å; D572-L603 HydrophobicContact CB-CD1 4.29Å; D572-L603 WeakPolarHBondContact O-CD1 3.44Å; D572-L606 HydrophobicContact CB-CD1 3.75Å; D572-W718 VanDerWaalsContact OD2-CH2 3.27Å; D572-W718 WeakPolarHBondContact OD2-CH2 3.42Å
573	E	96.1	Very high	94	Very high	98 Å²	98	61.9 Å²	61.9	46%	0.458	28%	0.28	S	S	.	.	H	α-helix	trans	-70.4	-38.7	177.2	-62.9	-174.9	176.1	0	0	112.8	R571 R577 L606 R622	R571-E573 PolarHBondContact O-N 3.28Å; E573-R577 WeakPolarHBondContact O-CG 3.48Å; E573-R577 PolarHBondContact O-N 3.22Å; E573-L606 HydrophobicContact CG-CD1 4.09Å; E573-L606 HydrophobicContact CG-CD2 4.25Å; E573-R622 IonicContact OE1-NH2 2.63Å; E573-R622 PolarHBondContact OE1-NH2 3.13Å
574	E	96.9	Very high	94	Very high	83 Å²	83	62.8 Å²	62.8	39%	0.388	28%	0.279	S	S	.	.	H	α-helix	trans	-69	-46.3	173.5	-173.6	-169.7	169.4	0	0	109.9	R571 A576 R577 L578	R571-E574 IonicContact CZ-OE1 3.05Å; R571-E574 IonicContact CZ-OE2 2.86Å; R571-E574 IonicContact NE-OE2 2.66Å; R571-E574 PolarHBondContact NE-OE2 2.92Å; R571-E574 IonicContact NH2-OE1 3.89Å; R571-E574 PolarHBondContact NH2-OE1 3.03Å; R571-E574 IonicContact NH2-OE2 3.95Å; R571-E574 PolarHBondContact NH2-OE2 3.06Å; R571-E574 WeakPolarHBondContact O-CA 3.47Å; R571-E574 WeakPolarHBondContact O-CB 3.39Å; R571-E574 PolarHBondContact O-N 3.09Å; E574-A576 VanDerWaalsContact C-N 3.34Å; E574-A576 PolarHBondContact O-N 2.91Å; E574-R577 WeakPolarHBondContact O-CB 3.26Å; E574-R577 PolarHBondContact O-N 3.47Å; E574-R577 VanDerWaalsContact O-N 3.15Å; E574-L578 HydrophobicContact CG-CD1 4.17Å; E574-L578 WeakPolarHBondContact O-CG 3.5Å; E574-L578 PolarHBondContact O-N 3.43Å
575	N	96.4	Very high	94	Very high	8 Å²	8	65.4 Å²	65.4	4%	0.043	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-43.2	179.5	-68.4	-13.4	0	0	0	111.7	F564 R571 R577 L578 L579 L603	F564-N575 HydrophobicContact CE1-CB 3.63Å; F564-N575 HydrophobicContact CZ-CB 3.75Å; R571-N575 WeakPolarHBondContact O-CB 3.47Å; R571-N575 VanDerWaalsContact O-CG 3.24Å; R571-N575 PolarHBondContact O-N 3.06Å; N575-R577 PolarHBondContact O-N 2.88Å; N575-L578 PolarHBondContact O-N 3.37Å; N575-L579 VanDerWaalsContact O-CB 3.3Å; N575-L579 WeakPolarHBondContact O-CB 3.48Å; N575-L579 VanDerWaalsContact O-CG 3.32Å; N575-L579 WeakPolarHBondContact O-CG 3.25Å; N575-L579 PolarHBondContact O-N 2.98Å; N575-L603 HydrophobicContact CB-CD1 3.84Å
576	A	97.9	Very high	94.3	Very high	1 Å²	1	66.8 Å²	66.8	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-42.5	175.7	0	0	0	0	0	112.3	D572 E574 A580 L603 L606 L607 E610	D572-A576 VanDerWaalsContact O-CB 3.23Å; D572-A576 WeakPolarHBondContact O-CB 3.38Å; D572-A576 PolarHBondContact O-N 2.9Å; E574-A576 VanDerWaalsContact C-N 3.34Å; E574-A576 PolarHBondContact O-N 2.91Å; A576-A580 VanDerWaalsContact O-CB 3.29Å; A576-A580 WeakPolarHBondContact O-CB 3.14Å; A576-A580 PolarHBondContact O-N 3.21Å; A576-L603 HydrophobicContact CB-CD1 4.12Å; A576-L606 HydrophobicContact CB-CB 3.57Å; A576-L607 HydrophobicContact CB-CB 4.46Å; A576-L607 WeakPolarHBondContact O-CD1 3.43Å; A576-E610 HydrophobicContact CB-CG 4.41Å
577	R	97.9	Very high	94.5	Very high	128 Å²	128	69.1 Å²	69.1	48%	0.483	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-47	176.8	-68.7	173.5	-166.7	142.6	10.2	111.5	E573 E574 N575 A580 E581 E610	E573-R577 WeakPolarHBondContact O-CG 3.48Å; E573-R577 PolarHBondContact O-N 3.22Å; E574-R577 WeakPolarHBondContact O-CB 3.26Å; E574-R577 PolarHBondContact O-N 3.47Å; E574-R577 VanDerWaalsContact O-N 3.15Å; N575-R577 PolarHBondContact O-N 2.88Å; R577-A580 PolarHBondContact O-N 3.42Å; R577-E581 WeakPolarHBondContact O-CG 3.41Å; R577-E581 PolarHBondContact O-N 2.89Å; R577-E610 HydrophobicContact CG-CG 4.41Å; R577-E610 IonicContact NE-OE1 3.61Å
578	L	97.7	Very high	95	Very high	67 Å²	67	67.9 Å²	67.9	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-44.9	178.2	-68.1	173.3	0	0	0	111.6	F564 E574 N575 A580 E581 L582	F564-L578 HydrophobicContact CE2-CB 4.13Å; F564-L578 HydrophobicContact CZ-CB 4.41Å; E574-L578 HydrophobicContact CG-CD1 4.17Å; E574-L578 WeakPolarHBondContact O-CG 3.5Å; E574-L578 PolarHBondContact O-N 3.43Å; N575-L578 PolarHBondContact O-N 3.37Å; L578-A580 VanDerWaalsContact C-N 3.35Å; L578-A580 PolarHBondContact O-N 3.31Å; L578-E581 WeakPolarHBondContact O-CB 3.33Å; L578-E581 PolarHBondContact O-N 2.99Å; L578-L582 WeakPolarHBondContact O-CG 3.46Å; L578-L582 PolarHBondContact O-N 3.44Å
579	L	97.6	Very high	95.3	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.4	-41.8	175.5	-77.3	171.1	0	0	0	111.6	V546 I562 F564 N575 E581 L582 V583 L603 L607	V546-L579 HydrophobicContact CG1-CD1 4.18Å; V546-L579 HydrophobicContact CG1-CD2 3.62Å; V546-L579 HydrophobicContact CG2-CD2 4.15Å; I562-L579 HydrophobicContact CG2-CD2 4.2Å; F564-L579 HydrophobicContact CB-CD2 3.87Å; F564-L579 HydrophobicContact CD1-CD1 4.07Å; F564-L579 HydrophobicContact CD1-CD2 4.1Å; F564-L579 HydrophobicContact CD1-CG 4.14Å; F564-L579 HydrophobicContact CD2-CD2 3.59Å; F564-L579 HydrophobicContact CD2-CG 3.98Å; F564-L579 HydrophobicContact CE1-CD1 4.19Å; F564-L579 HydrophobicContact CE1-CG 4.22Å; F564-L579 HydrophobicContact CE2-CD2 4.16Å; F564-L579 HydrophobicContact CE2-CG 4.04Å; F564-L579 HydrophobicContact CG-CD1 4.39Å; F564-L579 HydrophobicContact CG-CD2 3.57Å; F564-L579 HydrophobicContact CG-CG 4.04Å; F564-L579 HydrophobicContact CZ-CG 4.17Å; N575-L579 VanDerWaalsContact O-CB 3.3Å; N575-L579 WeakPolarHBondContact O-CB 3.48Å; N575-L579 VanDerWaalsContact O-CG 3.32Å; N575-L579 WeakPolarHBondContact O-CG 3.25Å; N575-L579 PolarHBondContact O-N 2.98Å; L579-E581 VanDerWaalsContact C-N 3.33Å; L579-E581 PolarHBondContact O-N 2.89Å; L579-L582 HydrophobicContact CD2-CD1 4.43Å; L579-L582 PolarHBondContact O-N 3.17Å; L579-V583 WeakPolarHBondContact O-CB 3.33Å; L579-V583 VanDerWaalsContact O-CG2 3.27Å; L579-V583 WeakPolarHBondContact O-CG2 3.39Å; L579-V583 PolarHBondContact O-N 2.97Å; L579-L603 HydrophobicContact CD1-CD1 4.34Å; L579-L603 HydrophobicContact CD1-CD2 4.2Å; L579-L603 HydrophobicContact CD1-CG 4.47Å; L579-L607 HydrophobicContact CB-CD1 3.84Å; L579-L607 HydrophobicContact CB-CD2 4.17Å; L579-L607 HydrophobicContact CD1-CD2 4.33Å
580	A	97.7	Very high	95.7	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-40.4	176.2	0	0	0	0	0	111.9	A576 R577 L578 V583 R584 L607 E610 L611	A576-A580 VanDerWaalsContact O-CB 3.29Å; A576-A580 WeakPolarHBondContact O-CB 3.14Å; A576-A580 PolarHBondContact O-N 3.21Å; R577-A580 PolarHBondContact O-N 3.42Å; L578-A580 VanDerWaalsContact C-N 3.35Å; L578-A580 PolarHBondContact O-N 3.31Å; A580-V583 PolarHBondContact O-N 3.34Å; A580-R584 WeakPolarHBondContact O-CB 3.21Å; A580-R584 VanDerWaalsContact O-CG 3.22Å; A580-R584 WeakPolarHBondContact O-CG 3.43Å; A580-R584 PolarHBondContact O-N 2.62Å; A580-L607 HydrophobicContact CB-CD1 3.87Å; A580-E610 HydrophobicContact CB-CB 3.74Å; A580-L611 HydrophobicContact CB-CD2 3.88Å; A580-L611 HydrophobicContact CB-CG 4.22Å
581	E	97.3	Very high	96.1	Very high	118 Å²	118	64.8 Å²	64.8	55%	0.551	32%	0.317	S	S	*	.	H	α-helix	trans	-61.5	-44.5	172.2	-72.7	178.7	-176.4	0	0	112	R577 L578 L579 R584 A585	R577-E581 WeakPolarHBondContact O-CG 3.41Å; R577-E581 PolarHBondContact O-N 2.89Å; L578-E581 WeakPolarHBondContact O-CB 3.33Å; L578-E581 PolarHBondContact O-N 2.99Å; L579-E581 VanDerWaalsContact C-N 3.33Å; L579-E581 PolarHBondContact O-N 2.89Å; E581-R584 PolarHBondContact O-N 3.01Å; E581-A585 WeakPolarHBondContact O-CB 3.47Å; E581-A585 PolarHBondContact O-N 3.39Å
582	L	96.7	Very high	96.3	Very high	65 Å²	65	59.7 Å²	59.7	34%	0.34	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-43.8	177	-71.8	171.6	0	0	0	112.4	I562 F564 L578 L579 A585 R586	I562-L582 HydrophobicContact CG2-CD1 4.29Å; F564-L582 HydrophobicContact CD2-CD1 4.18Å; L578-L582 WeakPolarHBondContact O-CG 3.46Å; L578-L582 PolarHBondContact O-N 3.44Å; L579-L582 HydrophobicContact CD2-CD1 4.43Å; L579-L582 PolarHBondContact O-N 3.17Å; L582-A585 PolarHBondContact O-N 2.91Å; L582-R586 WeakPolarHBondContact O-CB 3.36Å; L582-R586 WeakPolarHBondContact O-CG 3.44Å; L582-R586 PolarHBondContact O-N 3.38Å
583	V	96.6	Very high	96.4	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-60.4	-47.2	176.5	168	0	0	0	0	110.4	L520 I562 L579 A580 R586 G587 L588 L590 L611	L520-V583 HydrophobicContact CD2-CG2 3.92Å; I562-V583 HydrophobicContact CD1-CG2 4.27Å; L579-V583 WeakPolarHBondContact O-CB 3.33Å; L579-V583 VanDerWaalsContact O-CG2 3.27Å; L579-V583 WeakPolarHBondContact O-CG2 3.39Å; L579-V583 PolarHBondContact O-N 2.97Å; A580-V583 PolarHBondContact O-N 3.34Å; V583-R586 PolarHBondContact O-N 3.42Å; V583-G587 PolarHBondContact O-N 3.06Å; V583-L588 HydrophobicContact CG1-CB 4.11Å; V583-L588 HydrophobicContact CG1-CD1 4.47Å; V583-L588 PolarHBondContact O-N 2.99Å; V583-L590 HydrophobicContact CG1-CD1 3.67Å; V583-L590 HydrophobicContact CG1-CG 4.36Å; V583-L611 HydrophobicContact CB-CD2 4.34Å; V583-L611 HydrophobicContact CG1-CD1 4.15Å; V583-L611 HydrophobicContact CG1-CD2 4.02Å
584	R	95.8	Very high	96.3	Very high	129 Å²	129	56 Å²	56	49%	0.487	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-42.8	177.5	-69.3	175.3	-163	125.8	-5	112	A580 E581 R586 G587 E610	A580-R584 WeakPolarHBondContact O-CB 3.21Å; A580-R584 VanDerWaalsContact O-CG 3.22Å; A580-R584 WeakPolarHBondContact O-CG 3.43Å; A580-R584 PolarHBondContact O-N 2.62Å; E581-R584 PolarHBondContact O-N 3.01Å; R584-R586 VanDerWaalsContact C-N 3.27Å; R584-R586 PolarHBondContact O-N 3.23Å; R584-G587 PolarHBondContact O-N 3.12Å; R584-E610 PolarHBondContact NH2-O 3.09Å
585	A	96	Very high	96.1	Very high	88 Å²	88	52.6 Å²	52.6	73%	0.727	27%	0.266	S	S	*	.	H	α-helix	trans	-63.7	-32.4	179.4	0	0	0	0	0	112.5	E581 L582 G587	E581-A585 WeakPolarHBondContact O-CB 3.47Å; E581-A585 PolarHBondContact O-N 3.39Å; L582-A585 PolarHBondContact O-N 2.91Å; A585-G587 VanDerWaalsContact C-N 3.26Å; A585-G587 PolarHBondContact O-N 3.3Å
586	R	95	Very high	95.9	Very high	122 Å²	122	52.5 Å²	52.5	46%	0.46	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.5	173.7	-69.9	-176.2	-176.4	-152.7	5.8	113.7	F561 L582 V583 R584 L588	F561-R586 PolarHBondContact O-NH1 3.21Å; L582-R586 WeakPolarHBondContact O-CB 3.36Å; L582-R586 WeakPolarHBondContact O-CG 3.44Å; L582-R586 PolarHBondContact O-N 3.38Å; V583-R586 PolarHBondContact O-N 3.42Å; R584-R586 VanDerWaalsContact C-N 3.27Å; R584-R586 PolarHBondContact O-N 3.23Å; R586-L588 VanDerWaalsContact C-N 3.26Å; R586-L588 HydrophobicContact CB-CD1 4.42Å; R586-L588 HydrophobicContact CB-CD2 4.27Å; R586-L588 HydrophobicContact CB-CG 3.91Å; R586-L588 PolarHBondContact O-N 3.31Å
587	G	94.3	Very high	95.5	Very high	55 Å²	55	55.6 Å²	55.6	57%	0.567	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	24.1	178.8	0	0	0	0	0	114	V583 R584 A585	V583-G587 PolarHBondContact O-N 3.06Å; R584-G587 PolarHBondContact O-N 3.12Å; A585-G587 VanDerWaalsContact C-N 3.26Å; A585-G587 PolarHBondContact O-N 3.3Å
588	L	94.6	Very high	95	Very high	30 Å²	30	50.2 Å²	50.2	16%	0.157	26%	0.257	C	S	.	.			trans	-70.1	132.3	-179.3	-55.5	-177.3	0	0	0	110	H544 I562 V583 R586 L590	H544-L588 HydrophobicContact CB-CD1 4.34Å; I562-L588 HydrophobicContact CD1-CD1 4.47Å; V583-L588 HydrophobicContact CG1-CB 4.11Å; V583-L588 HydrophobicContact CG1-CD1 4.47Å; V583-L588 PolarHBondContact O-N 2.99Å; R586-L588 VanDerWaalsContact C-N 3.26Å; R586-L588 HydrophobicContact CB-CD1 4.42Å; R586-L588 HydrophobicContact CB-CD2 4.27Å; R586-L588 HydrophobicContact CB-CG 3.91Å; R586-L588 PolarHBondContact O-N 3.31Å; L588-L590 HydrophobicContact CB-CD2 4.24Å; L588-L590 HydrophobicContact CB-CG 4.37Å
589	K	92.7	Very high	94.6	Very high	168 Å²	168	47.3 Å²	47.3	73%	0.73	24%	0.242	S	C	*	.			trans	-109.6	89.8	177.4	-69.9	-174.1	-179.9	-178.7	0	108.6	Q518	Q518-K589 WeakPolarHBondContact CB-O 3.4Å; Q518-K589 PolarHBondContact OE1-O 3.22Å
590	L	96.8	Very high	94.3	Very high	29 Å²	29	47.6 Å²	47.6	15%	0.152	24%	0.244	C	C	.	.			trans	-83.8	134.4	-173.9	-56.2	174	0	0	0	110.9	Q518 L520 V583 L588 L611 L613	Q518-L590 HydrophobicContact CB-CD2 4.44Å; L520-L590 HydrophobicContact CB-CD1 3.68Å; L520-L590 HydrophobicContact CB-CD2 4.05Å; L520-L590 HydrophobicContact CB-CG 4.48Å; L520-L590 HydrophobicContact CD2-CD1 3.97Å; L520-L590 HydrophobicContact CG-CD1 4.38Å; V583-L590 HydrophobicContact CG1-CD1 3.67Å; V583-L590 HydrophobicContact CG1-CG 4.36Å; L588-L590 HydrophobicContact CB-CD2 4.24Å; L588-L590 HydrophobicContact CB-CG 4.37Å; L590-L611 HydrophobicContact CD1-CD1 4.01Å; L590-L613 HydrophobicContact CB-CD1 4.07Å; L590-L613 HydrophobicContact CB-CD2 4.47Å; L590-L613 HydrophobicContact CD1-CD1 4.18Å
591	D	96.4	Very high	94.2	Very high	60 Å²	60	48 Å²	48	32%	0.321	25%	0.246	S	C	.	.	S	Bend	trans	-81.6	-24.6	167.2	-71.7	-92.5	0	0	0	111.6	K517 Q518 C843	K517-D591 VanDerWaalsContact CA-OD2 3.26Å; K517-D591 WeakPolarHBondContact CA-OD2 3.47Å; K517-D591 HydrophobicContact CB-CB 4Å; K517-D591 HydrophobicContact CD-CB 4.13Å; K517-D591 HydrophobicContact CG-CB 4.2Å; K517-D591 IonicContact NZ-OD1 2.81Å; K517-D591 PolarHBondContact NZ-OD1 3.07Å; Q518-D591 PolarHBondContact N-OD2 2.93Å; Q518-D591 PolarHBondContact O-N 3.36Å; D591-C843 WeakPolarHBondContact O-CA 3.27Å
592	G	96.6	Very high	94.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	170.2	-179.3	0	0	0	0	0	113.1	Q518 L519 L520 A842	Q518-G592 PolarHBondContact O-N 3.43Å; L519-G592 WeakPolarHBondContact CA-O 3.42Å; L519-G592 VanDerWaalsContact CD2-CA 3.49Å; L519-G592 WeakPolarHBondContact CD2-O 3.36Å; L520-G592 PolarHBondContact N-O 3.42Å; G592-A842 VanDerWaalsContact CA-O 3.27Å; G592-A842 WeakPolarHBondContact CA-O 3.22Å
593	C	96.8	Very high	94.1	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	136.4	175.8	175.1	0	0	0	0	109.4	L520 C608 L613	L520-C593 HydrophobicContact CB-CB 4.05Å; L520-C593 CarbonylContact O-C 3.48Å; L520-C593 VanDerWaalsContact O-CA 3.23Å; L520-C593 WeakPolarHBondContact O-CA 3.3Å; L520-C593 PolarHBondContact O-SG 3.27Å; L520-C593 VanDerWaalsContact O-SG 3.34Å; C593-C608 VanDerWaalsContact CB-SG 3.56Å; C593-L613 HydrophobicContact CB-CD1 3.72Å
594	F	94.6	Very high	94.1	Very high	18 Å²	18	39.3 Å²	39.3	8%	0.079	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	166.3	-178.7	82.9	-71.5	0	0	0	112.1	L519 L520 V521 V522 Y596 L835 V839 A842	L519-F594 HydrophobicContact CD1-CD1 4.43Å; L519-F594 HydrophobicContact CD1-CE1 4.14Å; L520-F594 PolarHBondContact O-N 3.42Å; V521-F594 WeakPolarHBondContact CA-O 3.47Å; V521-F594 HydrophobicContact CG2-CD1 4.38Å; V521-F594 HydrophobicContact CG2-CE1 3.68Å; V521-F594 HydrophobicContact CG2-CZ 4.17Å; V522-F594 PolarHBondContact N-O 2.99Å; F594-Y596 AromaticContact CE2-CD1 3.93Å; F594-Y596 HydrophobicContact CE2-CD1 3.93Å; F594-Y596 HydrophobicContact CZ-CD1 4.47Å; F594-L835 HydrophobicContact CE2-CD1 4.06Å; F594-L835 HydrophobicContact CZ-CD1 4.42Å; F594-V839 HydrophobicContact CD1-CG1 4.14Å; F594-V839 HydrophobicContact CD2-CG1 4.41Å; F594-V839 HydrophobicContact CE1-CG1 3.6Å; F594-V839 HydrophobicContact CE2-CG1 3.91Å; F594-V839 HydrophobicContact CZ-CG1 3.48Å; F594-V839 VanDerWaalsContact CZ-CG1 3.48Å; F594-A842 HydrophobicContact CB-CB 3.83Å
595	S	93.9	Very high	94.2	Very high	12 Å²	12	33.2 Å²	33.2	8%	0.084	18%	0.181	C	C	.	.			trans	-139.6	149.3	167.2	-175.4	0	0	0	0	109.6	V522 W597 C600 L601 T604	V522-S595 WeakPolarHBondContact O-CB 3.43Å; V522-S595 PolarHBondContact O-OG 3.08Å; S595-W597 PolarHBondContact OG-N 3.41Å; S595-W597 PolarHBondContact OG-O 2.92Å; S595-C600 WeakPolarHBondContact OG-CB 3.46Å; S595-L601 WeakPolarHBondContact O-CD2 3.37Å; S595-T604 WeakPolarHBondContact CB-OG1 3.41Å
596	Y	90.3	Very high	94.3	Very high	7 Å²	7	29.8 Å²	29.8	3%	0.027	15%	0.15	C	C	.	.			trans	-108.9	-0.1	167.4	52	-97.8	0	0	0	111.5	V521 A524 K529 V532 W533 F594 R816 M817	V521-Y596 HydrophobicContact CG1-CE1 3.89Å; A524-Y596 VanDerWaalsContact C-OH 3.3Å; A524-Y596 WeakPolarHBondContact O-CE2 3.45Å; A524-Y596 PolarHBondContact O-OH 2.76Å; K529-Y596 HydrophobicContact CB-CD2 4.36Å; K529-Y596 HydrophobicContact CB-CE2 3.62Å; K529-Y596 HydrophobicContact CD-CD2 4.19Å; K529-Y596 HydrophobicContact CD-CE2 4.27Å; K529-Y596 HydrophobicContact CG-CD2 4.13Å; K529-Y596 HydrophobicContact CG-CE2 3.73Å; V532-Y596 HydrophobicContact CB-CD1 4.39Å; V532-Y596 HydrophobicContact CB-CE1 3.87Å; V532-Y596 HydrophobicContact CG1-CD1 3.81Å; V532-Y596 HydrophobicContact CG1-CE1 3.36Å; V532-Y596 HydrophobicContact CG2-CD1 3.97Å; V532-Y596 HydrophobicContact CG2-CD2 4.43Å; V532-Y596 HydrophobicContact CG2-CE1 3.85Å; V532-Y596 HydrophobicContact CG2-CE2 4.33Å; V532-Y596 HydrophobicContact CG2-CG 4.24Å; W533-Y596 VanDerWaalsContact CZ2-OH 3.25Å; W533-Y596 WeakPolarHBondContact CZ2-OH 3.4Å; F594-Y596 AromaticContact CE2-CD1 3.93Å; F594-Y596 HydrophobicContact CE2-CD1 3.93Å; F594-Y596 HydrophobicContact CZ-CD1 4.47Å; Y596-R816 WeakPolarHBondContact O-CD 3.36Å; Y596-M817 HydrophobicContact CG-CE 4.26Å
597	W	89.7	Confident	94.5	Very high	65 Å²	65	24 Å²	24	25%	0.246	13%	0.128	C	C	.	.	S	Bend	trans	-94.8	119.4	179.6	-166.6	-112.4	0	0	0	109.3	S595 D599 C600 G713	S595-W597 PolarHBondContact OG-N 3.41Å; S595-W597 PolarHBondContact OG-O 2.92Å; W597-D599 PolarHBondContact O-N 3.43Å; W597-D599 VanDerWaalsContact O-N 3.15Å; W597-C600 HydrophobicContact CB-CB 4.37Å; W597-C600 PolarHBondContact O-N 3.02Å; W597-G713 VanDerWaalsContact CZ2-CA 3.41Å
598	D	87.8	Confident	94.6	Very high	16 Å²	16	21.3 Å²	21.3	9%	0.086	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-57	-37.1	-167.1	-155.1	71.6	0	0	0	113.2	C600 L601 K625 R816	D598-C600 VanDerWaalsContact C-N 3.29Å; D598-C600 PolarHBondContact O-N 2.91Å; D598-L601 PolarHBondContact O-N 3.16Å; D598-K625 PolarHBondContact O-NZ 2.97Å; D598-K625 WeakPolarHBondContact OD2-CD 3.48Å; D598-K625 IonicContact OD2-NZ 2.83Å; D598-K625 PolarHBondContact OD2-NZ 2.94Å; D598-R816 IonicContact OD1-CZ 2.77Å; D598-R816 IonicContact OD1-NE 2.72Å; D598-R816 PolarHBondContact OD1-NE 3.37Å; D598-R816 IonicContact OD1-NH2 3.18Å
599	D	89.1	Confident	94.8	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.027	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-71.7	-25.1	-178.4	-67.2	-20.9	0	0	0	112.9	H569 W597 K625 G715 W718	H569-D599 PolarHBondContact CE1-O 3.16Å; W597-D599 PolarHBondContact O-N 3.43Å; W597-D599 VanDerWaalsContact O-N 3.15Å; D599-K625 IonicContact OD1-NZ 2.75Å; D599-K625 PolarHBondContact OD1-NZ 3.35Å; D599-G715 WeakPolarHBondContact OD1-CA 2.98Å; D599-G715 WeakPolarHBondContact OD2-CA 3.17Å; D599-G715 PolarHBondContact OD2-N 3.25Å; D599-W718 PolarHBondContact O-NE1 3.05Å
600	C	92.6	Very high	95	Very high	6 Å²	6	21.5 Å²	21.5	4%	0.041	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-89.6	-5.8	-178	-65.5	0	0	0	0	113.5	V522 S595 W597 D598 V602 L603 T604	V522-C600 HydrophobicContact CB-CB 4.48Å; V522-C600 HydrophobicContact CG1-CB 3.98Å; V522-C600 WeakPolarHBondContact O-CB 3.22Å; S595-C600 WeakPolarHBondContact OG-CB 3.46Å; W597-C600 HydrophobicContact CB-CB 4.37Å; W597-C600 PolarHBondContact O-N 3.02Å; D598-C600 VanDerWaalsContact C-N 3.29Å; D598-C600 PolarHBondContact O-N 2.91Å; C600-V602 PolarHBondContact O-N 3.34Å; C600-L603 PolarHBondContact O-N 3.14Å; C600-T604 VanDerWaalsContact O-CB 3.32Å; C600-T604 WeakPolarHBondContact O-CB 3.28Å; C600-T604 PolarHBondContact O-N 3.28Å; C600-T604 PolarHBondContact O-OG1 3.07Å
601	L	93.9	Very high	95	Very high	9 Å²	9	22 Å²	22	5%	0.047	11%	0.106	C	C	.	.	H	α-helix	trans	-64.7	-39.2	-170.5	-64.9	173.6	0	0	0	113.2	S595 D598 A605 P815 R816	S595-L601 WeakPolarHBondContact O-CD2 3.37Å; D598-L601 PolarHBondContact O-N 3.16Å; L601-A605 PolarHBondContact O-N 3.49Å; L601-P815 HydrophobicContact CD1-CB 4.23Å; L601-P815 HydrophobicContact CD1-CG 3.63Å; L601-R816 HydrophobicContact CD1-CB 4.01Å; L601-R816 HydrophobicContact CD1-CG 3.98Å; L601-R816 HydrophobicContact CD2-CB 4.24Å
602	V	95.8	Very high	95	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-69.7	-47.3	178.1	176.4	0	0	0	0	111.2	C600 T604 A605 L606 M621 R622 K625 W718	C600-V602 PolarHBondContact O-N 3.34Å; V602-T604 VanDerWaalsContact C-N 3.27Å; V602-T604 PolarHBondContact O-N 3.27Å; V602-A605 PolarHBondContact O-N 3.05Å; V602-L606 HydrophobicContact CG1-CD1 4.04Å; V602-L606 WeakPolarHBondContact O-CG 3.29Å; V602-L606 PolarHBondContact O-N 3.09Å; V602-M621 HydrophobicContact CG2-CB 4.15Å; V602-R622 HydrophobicContact CG1-CG 3.59Å; V602-R622 HydrophobicContact CG2-CG 4.1Å; V602-K625 HydrophobicContact CG2-CB 4.32Å; V602-K625 HydrophobicContact CG2-CG 4.47Å; V602-W718 HydrophobicContact CB-CH2 3.5Å; V602-W718 VanDerWaalsContact CB-CH2 3.5Å; V602-W718 HydrophobicContact CB-CZ2 3.81Å; V602-W718 HydrophobicContact CG1-CH2 3.76Å; V602-W718 HydrophobicContact CG2-CH2 3.61Å; V602-W718 HydrophobicContact CG2-CZ2 3.9Å; V602-W718 HydrophobicContact CG2-CZ3 4.49Å
603	L	96.8	Very high	95	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.1	-42.8	174.8	178.3	59.5	0	0	0	111.3	V522 M566 D572 N575 A576 L579 C600 L606 L607	V522-L603 HydrophobicContact CG1-CD2 4.16Å; V522-L603 HydrophobicContact CG1-CG 4.47Å; M566-L603 HydrophobicContact CB-CD2 3.96Å; M566-L603 HydrophobicContact CG-CD2 3.79Å; M566-L603 HydrophobicContact SD-CD2 4.18Å; D572-L603 HydrophobicContact CB-CD1 4.29Å; D572-L603 WeakPolarHBondContact O-CD1 3.44Å; N575-L603 HydrophobicContact CB-CD1 3.84Å; A576-L603 HydrophobicContact CB-CD1 4.12Å; L579-L603 HydrophobicContact CD1-CD1 4.34Å; L579-L603 HydrophobicContact CD1-CD2 4.2Å; L579-L603 HydrophobicContact CD1-CG 4.47Å; C600-L603 PolarHBondContact O-N 3.14Å; L603-L606 PolarHBondContact O-N 3.27Å; L603-L607 WeakPolarHBondContact O-CB 3.42Å; L603-L607 PolarHBondContact O-N 2.95Å
604	T	97.3	Very high	94.9	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-59.2	-48	176.4	-58.1	0	0	0	0	111.2	V522 S595 C600 V602 L606 L607 C608	V522-T604 WeakPolarHBondContact CB-OG1 3.45Å; S595-T604 WeakPolarHBondContact CB-OG1 3.41Å; C600-T604 VanDerWaalsContact O-CB 3.32Å; C600-T604 WeakPolarHBondContact O-CB 3.28Å; C600-T604 PolarHBondContact O-N 3.28Å; C600-T604 PolarHBondContact O-OG1 3.07Å; V602-T604 VanDerWaalsContact C-N 3.27Å; V602-T604 PolarHBondContact O-N 3.27Å; T604-L606 PolarHBondContact O-N 3.39Å; T604-L607 PolarHBondContact O-N 2.96Å; T604-C608 WeakPolarHBondContact O-CB 3.44Å; T604-C608 PolarHBondContact O-N 3.28Å; T604-C608 PolarHBondContact O-SG 2.92Å
605	A	97.6	Very high	94.8	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-63.2	-40.7	178.9	0	0	0	0	0	112.4	L601 V602 C608 Q609 P618 M621	L601-A605 PolarHBondContact O-N 3.49Å; V602-A605 PolarHBondContact O-N 3.05Å; A605-C608 PolarHBondContact O-N 2.88Å; A605-Q609 PolarHBondContact O-N 3.14Å; A605-P618 HydrophobicContact CB-CB 4.32Å; A605-P618 HydrophobicContact CB-CG 4Å; A605-M621 HydrophobicContact CB-CB 4.35Å; A605-M621 HydrophobicContact CB-CG 3.69Å
606	L	98.3	Very high	94.8	Very high	15 Å²	15	27.3 Å²	27.3	8%	0.079	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-43.4	175.1	-71.1	163.6	0	0	0	111.2	D572 E573 A576 V602 L603 T604 Q609 E610 P618	D572-L606 HydrophobicContact CB-CD1 3.75Å; E573-L606 HydrophobicContact CG-CD1 4.09Å; E573-L606 HydrophobicContact CG-CD2 4.25Å; A576-L606 HydrophobicContact CB-CB 3.57Å; V602-L606 HydrophobicContact CG1-CD1 4.04Å; V602-L606 WeakPolarHBondContact O-CG 3.29Å; V602-L606 PolarHBondContact O-N 3.09Å; L603-L606 PolarHBondContact O-N 3.27Å; T604-L606 PolarHBondContact O-N 3.39Å; L606-Q609 WeakPolarHBondContact O-CB 3.42Å; L606-Q609 PolarHBondContact O-N 2.95Å; L606-E610 WeakPolarHBondContact O-CG 3.37Å; L606-E610 PolarHBondContact O-N 3.39Å; L606-P618 HydrophobicContact CD2-CB 3.66Å; L606-P618 HydrophobicContact CD2-CG 3.89Å; L606-P618 HydrophobicContact CG-CB 3.96Å; L606-P618 HydrophobicContact CG-CG 4.18Å
607	L	98.1	Very high	95	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-41.9	177.1	-178.8	56.6	0	0	0	112	L520 V522 A576 L579 A580 L603 T604 Q609 E610 L611	L520-L607 HydrophobicContact CD2-CD2 3.59Å; L520-L607 HydrophobicContact CD2-CG 4.48Å; V522-L607 HydrophobicContact CG2-CD2 4.1Å; A576-L607 HydrophobicContact CB-CB 4.46Å; A576-L607 WeakPolarHBondContact O-CD1 3.43Å; L579-L607 HydrophobicContact CB-CD1 3.84Å; L579-L607 HydrophobicContact CB-CD2 4.17Å; L579-L607 HydrophobicContact CD1-CD2 4.33Å; A580-L607 HydrophobicContact CB-CD1 3.87Å; L603-L607 WeakPolarHBondContact O-CB 3.42Å; L603-L607 PolarHBondContact O-N 2.95Å; T604-L607 PolarHBondContact O-N 2.96Å; L607-Q609 VanDerWaalsContact C-N 3.3Å; L607-Q609 PolarHBondContact O-N 2.86Å; L607-E610 PolarHBondContact O-N 3.11Å; L607-L611 HydrophobicContact CD1-CD1 3.74Å; L607-L611 HydrophobicContact CD1-CG 4.01Å; L607-L611 HydrophobicContact CG-CD1 3.87Å; L607-L611 HydrophobicContact CG-CG 4.48Å; L607-L611 WeakPolarHBondContact O-CB 3.26Å; L607-L611 WeakPolarHBondContact O-CG 3.42Å; L607-L611 PolarHBondContact O-N 2.92Å
608	C	97.8	Very high	95.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.9	-42.3	172.7	-72.6	0	0	0	0	111.6	C593 T604 A605 L611 G612 L613 C615	C593-C608 VanDerWaalsContact CB-SG 3.56Å; T604-C608 WeakPolarHBondContact O-CB 3.44Å; T604-C608 PolarHBondContact O-N 3.28Å; T604-C608 PolarHBondContact O-SG 2.92Å; A605-C608 PolarHBondContact O-N 2.88Å; C608-L611 CarbonylContact O-C 3.55Å; C608-L611 PolarHBondContact O-N 3.4Å; C608-G612 PolarHBondContact O-N 3.36Å; C608-L613 HydrophobicContact CB-CB 4.2Å; C608-L613 PolarHBondContact O-N 3.06Å; C608-C615 HydrophobicContact CB-CB 3.52Å
609	Q	97.6	Very high	95.8	Very high	131 Å²	131	30.7 Å²	30.7	61%	0.612	20%	0.195	S	C	*	.	H	α-helix	trans	-61	-45.3	175.9	-175.2	-179.8	11.8	0	0	111.8	A605 L606 L607 L611 G612 P618	A605-Q609 PolarHBondContact O-N 3.14Å; L606-Q609 WeakPolarHBondContact O-CB 3.42Å; L606-Q609 PolarHBondContact O-N 2.95Å; L607-Q609 VanDerWaalsContact C-N 3.3Å; L607-Q609 PolarHBondContact O-N 2.86Å; Q609-L611 VanDerWaalsContact C-N 3.33Å; Q609-L611 PolarHBondContact O-N 3.16Å; Q609-G612 PolarHBondContact O-N 2.89Å; Q609-P618 HydrophobicContact CB-CG 4.36Å
610	E	97.9	Very high	96.1	Very high	71 Å²	71	30.7 Å²	30.7	33%	0.332	20%	0.196	S	C	.	.	H	α-helix	trans	-63.9	-37.2	177.2	-71.2	-66.3	160.3	0	0	112.2	A576 R577 A580 R584 L606 L607	A576-E610 HydrophobicContact CB-CG 4.41Å; R577-E610 HydrophobicContact CG-CG 4.41Å; R577-E610 IonicContact NE-OE1 3.61Å; A580-E610 HydrophobicContact CB-CB 3.74Å; R584-E610 PolarHBondContact NH2-O 3.09Å; L606-E610 WeakPolarHBondContact O-CG 3.37Å; L606-E610 PolarHBondContact O-N 3.39Å; L607-E610 PolarHBondContact O-N 3.11Å
611	L	96.9	Very high	96.3	Very high	39 Å²	39	31 Å²	31	20%	0.204	20%	0.197	C	C	.	.	H	α-helix	trans	-86.5	-8.9	-178.8	-66.2	175.3	0	0	0	114	A580 V583 L590 L607 C608 Q609 L613	A580-L611 HydrophobicContact CB-CD2 3.88Å; A580-L611 HydrophobicContact CB-CG 4.22Å; V583-L611 HydrophobicContact CB-CD2 4.34Å; V583-L611 HydrophobicContact CG1-CD1 4.15Å; V583-L611 HydrophobicContact CG1-CD2 4.02Å; L590-L611 HydrophobicContact CD1-CD1 4.01Å; L607-L611 HydrophobicContact CD1-CD1 3.74Å; L607-L611 HydrophobicContact CD1-CG 4.01Å; L607-L611 HydrophobicContact CG-CD1 3.87Å; L607-L611 HydrophobicContact CG-CG 4.48Å; L607-L611 WeakPolarHBondContact O-CB 3.26Å; L607-L611 WeakPolarHBondContact O-CG 3.42Å; L607-L611 PolarHBondContact O-N 2.92Å; C608-L611 CarbonylContact O-C 3.55Å; C608-L611 PolarHBondContact O-N 3.4Å; Q609-L611 VanDerWaalsContact C-N 3.33Å; Q609-L611 PolarHBondContact O-N 3.16Å; L611-L613 VanDerWaalsContact C-N 3.33Å; L611-L613 HydrophobicContact CB-CD1 3.92Å; L611-L613 HydrophobicContact CB-CG 3.91Å; L611-L613 HydrophobicContact CD1-CD1 3.98Å
612	G	96.1	Very high	96.4	Very high	68 Å²	68	34.2 Å²	34.2	70%	0.701	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	28.2	-174.3	0	0	0	0	0	113.6	C608 Q609	C608-G612 PolarHBondContact O-N 3.36Å; Q609-G612 PolarHBondContact O-N 2.89Å
613	L	96.2	Very high	96.4	Very high	29 Å²	29	35 Å²	35	15%	0.152	21%	0.213	C	C	.	.			trans	-93.3	152.1	179.5	-64.9	173.2	0	0	0	111.7	L590 C593 C608 L611 C615	L590-L613 HydrophobicContact CB-CD1 4.07Å; L590-L613 HydrophobicContact CB-CD2 4.47Å; L590-L613 HydrophobicContact CD1-CD1 4.18Å; C593-L613 HydrophobicContact CB-CD1 3.72Å; C608-L613 HydrophobicContact CB-CB 4.2Å; C608-L613 PolarHBondContact O-N 3.06Å; L611-L613 VanDerWaalsContact C-N 3.33Å; L611-L613 HydrophobicContact CB-CD1 3.92Å; L611-L613 HydrophobicContact CB-CG 3.91Å; L611-L613 HydrophobicContact CD1-CD1 3.98Å; L613-C615 PolarHBondContact O-N 2.94Å
614	P	93.9	Very high	96.4	Very high	55 Å²	55	35.1 Å²	35.1	36%	0.357	21%	0.214	S	C	.	.			trans	-62.7	128.9	176.3	-21.8	34.4	0	0	0	112.5
615	C	93.5	Very high	96.2	Very high	48 Å²	48	35.3 Å²	35.3	32%	0.324	21%	0.214	S	C	.	.			trans	-164.5	162.4	171.4	-162.6	0	0	0	0	110.1	C608 L613	C608-C615 HydrophobicContact CB-CB 3.52Å; L613-C615 PolarHBondContact O-N 2.94Å
616	S	93.3	Very high	96.1	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.021	22%	0.224	C	C	.	.			trans	-62.6	145.7	165.4	-74.8	0	0	0	0	110.3	D794	S616-D794 PolarHBondContact OG-O 2.94Å
617	P	95.1	Very high	96	Very high	67 Å²	67	37.7 Å²	37.7	44%	0.435	22%	0.224	S	C	.	.			trans	-58.8	143	-175.6	-24.7	33.9	0	0	0	112.5	A619 A620 M621	P617-A619 PolarHBondContact O-N 3.02Å; P617-A619 VanDerWaalsContact O-N 3.13Å; P617-A620 HydrophobicContact CB-CB 4.38Å; P617-A620 WeakPolarHBondContact O-CA 3.39Å; P617-A620 WeakPolarHBondContact O-CB 3.46Å; P617-A620 PolarHBondContact O-N 2.84Å; P617-M621 PolarHBondContact O-N 3.07Å; P617-M621 VanDerWaalsContact O-N 3.09Å
618	P	96.6	Very high	95.9	Very high	17 Å²	17	37.9 Å²	37.9	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-55.5	-35.3	178.2	-30.4	37.6	0	0	0	113.9	A605 L606 Q609 A620 M621 R622	A605-P618 HydrophobicContact CB-CB 4.32Å; A605-P618 HydrophobicContact CB-CG 4Å; L606-P618 HydrophobicContact CD2-CB 3.66Å; L606-P618 HydrophobicContact CD2-CG 3.89Å; L606-P618 HydrophobicContact CG-CB 3.96Å; L606-P618 HydrophobicContact CG-CG 4.18Å; Q609-P618 HydrophobicContact CB-CG 4.36Å; P618-A620 VanDerWaalsContact C-N 3.32Å; P618-A620 PolarHBondContact O-N 3.43Å; P618-M621 PolarHBondContact O-N 2.93Å; P618-R622 WeakPolarHBondContact O-CB 3.22Å; P618-R622 WeakPolarHBondContact O-CG 3.27Å; P618-R622 PolarHBondContact O-N 3.09Å
619	A	96.8	Very high	95.9	Very high	75 Å²	75	41.7 Å²	41.7	62%	0.62	25%	0.245	S	C	*	.	H	α-helix	trans	-62.3	-38.5	175.4	0	0	0	0	0	112.6	P617 L623	P617-A619 PolarHBondContact O-N 3.02Å; P617-A619 VanDerWaalsContact O-N 3.13Å; A619-L623 VanDerWaalsContact O-CB 3.24Å; A619-L623 WeakPolarHBondContact O-CB 3.49Å; A619-L623 PolarHBondContact O-N 3.42Å
620	A	97.1	Very high	95.9	Very high	6 Å²	6	35.6 Å²	35.6	5%	0.05	22%	0.217	C	C	.	.	H	α-helix	trans	-69.6	-40.2	176.5	0	0	0	0	0	111.5	P617 P618 L623 A624 C790 L792	P617-A620 HydrophobicContact CB-CB 4.38Å; P617-A620 WeakPolarHBondContact O-CA 3.39Å; P617-A620 WeakPolarHBondContact O-CB 3.46Å; P617-A620 PolarHBondContact O-N 2.84Å; P618-A620 VanDerWaalsContact C-N 3.32Å; P618-A620 PolarHBondContact O-N 3.43Å; A620-L623 WeakPolarHBondContact O-CB 3.41Å; A620-L623 PolarHBondContact O-N 3.35Å; A620-A624 WeakPolarHBondContact O-CB 3.5Å; A620-A624 PolarHBondContact O-N 3.13Å; A620-C790 WeakPolarHBondContact CA-O 3.35Å; A620-C790 WeakPolarHBondContact CB-O 3.47Å; A620-L792 HydrophobicContact CB-CD2 3.89Å
621	M	95.8	Very high	95.9	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.059	20%	0.201	C	C	.	.	H	α-helix	trans	-64.9	-45.1	175.2	-63.8	-50.3	-151.1	0	0	112.1	V602 A605 P617 P618 L623 A624 K625 L792 P815	V602-M621 HydrophobicContact CG2-CB 4.15Å; A605-M621 HydrophobicContact CB-CB 4.35Å; A605-M621 HydrophobicContact CB-CG 3.69Å; P617-M621 PolarHBondContact O-N 3.07Å; P617-M621 VanDerWaalsContact O-N 3.09Å; P618-M621 PolarHBondContact O-N 2.93Å; M621-L623 VanDerWaalsContact C-N 3.3Å; M621-L623 PolarHBondContact O-N 3.02Å; M621-A624 PolarHBondContact O-N 3.33Å; M621-K625 VanDerWaalsContact O-CB 3.26Å; M621-K625 WeakPolarHBondContact O-CB 3.36Å; M621-K625 PolarHBondContact O-N 3.45Å; M621-L792 HydrophobicContact SD-CD2 3.85Å; M621-P815 HydrophobicContact CE-CB 4.39Å; M621-P815 HydrophobicContact SD-CB 3.67Å; M621-P815 HydrophobicContact SD-CG 4.21Å
622	R	95.6	Very high	95.9	Very high	77 Å²	77	33.1 Å²	33.1	29%	0.291	21%	0.206	S	C	.	.	H	α-helix	trans	-60.5	-41	175.1	-73.7	-177.9	-171.7	-80.7	14	111.8	E573 V602 P618 K626	E573-R622 IonicContact OE1-NH2 2.63Å; E573-R622 PolarHBondContact OE1-NH2 3.13Å; V602-R622 HydrophobicContact CG1-CG 3.59Å; V602-R622 HydrophobicContact CG2-CG 4.1Å; P618-R622 WeakPolarHBondContact O-CB 3.22Å; P618-R622 WeakPolarHBondContact O-CG 3.27Å; P618-R622 PolarHBondContact O-N 3.09Å; R622-K626 PolarHBondContact O-N 2.76Å
623	L	96.6	Very high	96	Very high	17 Å²	17	32.5 Å²	32.5	9%	0.089	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-54.3	176.1	170.9	58.4	0	0	0	110.7	A619 A620 M621 K625 K626 L629 T630 H633 C790	A619-L623 VanDerWaalsContact O-CB 3.24Å; A619-L623 WeakPolarHBondContact O-CB 3.49Å; A619-L623 PolarHBondContact O-N 3.42Å; A620-L623 WeakPolarHBondContact O-CB 3.41Å; A620-L623 PolarHBondContact O-N 3.35Å; M621-L623 VanDerWaalsContact C-N 3.3Å; M621-L623 PolarHBondContact O-N 3.02Å; L623-K625 PolarHBondContact O-N 3Å; L623-K626 PolarHBondContact O-N 3.42Å; L623-L629 HydrophobicContact CD1-CB 4.29Å; L623-L629 HydrophobicContact CD1-CD2 4.2Å; L623-L629 HydrophobicContact CD1-CG 3.63Å; L623-L629 WeakPolarHBondContact CD1-O 3.3Å; L623-T630 PolarHBondContact O-OG1 3.03Å; L623-H633 HydrophobicContact CD1-CB 3.59Å; L623-H633 HydrophobicContact CD2-CB 4.4Å; L623-H633 VanDerWaalsContact CD2-CD2 3.47Å; L623-H633 WeakPolarHBondContact CD2-CD2 3.34Å; L623-C790 HydrophobicContact CD2-CB 3.78Å; L623-C790 HydrophobicContact CG-CB 4.22Å
624	A	96	Very high	96	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-41.6	-179.5	0	0	0	0	0	113	A620 M621 K626 T630 L792 I813 P815	A620-A624 WeakPolarHBondContact O-CB 3.5Å; A620-A624 PolarHBondContact O-N 3.13Å; M621-A624 PolarHBondContact O-N 3.33Å; A624-K626 PolarHBondContact O-N 2.95Å; A624-T630 WeakPolarHBondContact CA-OG1 3.38Å; A624-T630 PolarHBondContact O-OG1 3.43Å; A624-L792 HydrophobicContact CB-CD1 4.12Å; A624-I813 HydrophobicContact CB-CG2 4.37Å; A624-P815 HydrophobicContact CB-CB 4.43Å; A624-P815 HydrophobicContact CB-CG 4.02Å
625	K	93.7	Very high	96.2	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.03	17%	0.172	C	C	.	.	H	α-helix	trans	-66.1	-32	-176.4	-179.3	60.3	-176.6	-164.4	0	113.6	D598 D599 V602 M621 L623 F678	D598-K625 PolarHBondContact O-NZ 2.97Å; D598-K625 WeakPolarHBondContact OD2-CD 3.48Å; D598-K625 IonicContact OD2-NZ 2.83Å; D598-K625 PolarHBondContact OD2-NZ 2.94Å; D599-K625 IonicContact OD1-NZ 2.75Å; D599-K625 PolarHBondContact OD1-NZ 3.35Å; V602-K625 HydrophobicContact CG2-CB 4.32Å; V602-K625 HydrophobicContact CG2-CG 4.47Å; M621-K625 VanDerWaalsContact O-CB 3.26Å; M621-K625 WeakPolarHBondContact O-CB 3.36Å; M621-K625 PolarHBondContact O-N 3.45Å; L623-K625 PolarHBondContact O-N 3Å; K625-F678 HydrophobicContact CG-CD1 3.96Å; K625-F678 HydrophobicContact CG-CE1 4.44Å
626	K	95.3	Very high	96.3	Very high	47 Å²	47	38 Å²	38	20%	0.204	19%	0.192	C	C	.	.	S	Bend	trans	-93.5	108.1	176.4	-172	170.2	-176.3	171.1	0	110.3	R622 L623 A624 S628 L629 T630 E677 F678	R622-K626 PolarHBondContact O-N 2.76Å; L623-K626 PolarHBondContact O-N 3.42Å; A624-K626 PolarHBondContact O-N 2.95Å; K626-S628 PolarHBondContact O-N 2.96Å; K626-L629 HydrophobicContact CB-CB 3.83Å; K626-L629 HydrophobicContact CB-CD2 4.44Å; K626-L629 HydrophobicContact CD-CB 4.18Å; K626-L629 HydrophobicContact CG-CB 3.96Å; K626-L629 WeakPolarHBondContact O-CB 3.34Å; K626-L629 PolarHBondContact O-N 3.49Å; K626-L629 VanDerWaalsContact O-N 3.09Å; K626-T630 PolarHBondContact O-N 2.84Å; K626-T630 PolarHBondContact O-OG1 3.44Å; K626-E677 VanDerWaalsContact CE-CD 3.45Å; K626-E677 WeakPolarHBondContact CE-OE1 3.27Å; K626-E677 HydrophobicContact CG-CB 4.36Å; K626-E677 VanDerWaalsContact CG-OE2 3.32Å; K626-E677 WeakPolarHBondContact CG-OE2 3.27Å; K626-F678 HydrophobicContact CB-CD1 4.47Å; K626-F678 HydrophobicContact CB-CE1 3.7Å; K626-F678 HydrophobicContact CB-CZ 4.21Å; K626-F678 HydrophobicContact CD-CE1 4.4Å; K626-F678 HydrophobicContact CD-CZ 4.02Å; K626-F678 HydrophobicContact CG-CE1 4.04Å; K626-F678 HydrophobicContact CG-CZ 4.09Å
627	K	96.2	Very high	96.2	Very high	19 Å²	19	41.6 Å²	41.6	8%	0.083	21%	0.209	C	C	.	.	H	α-helix	trans	-57.3	-44.9	-171.9	-69.8	171.1	179.1	71.4	0	113.5	L629 T630 Q631 K675 E677 G679 L723 E812	K627-L629 VanDerWaalsContact C-N 3.33Å; K627-L629 PolarHBondContact O-N 3.27Å; K627-T630 PolarHBondContact O-N 2.87Å; K627-Q631 WeakPolarHBondContact O-CG 3.43Å; K627-Q631 PolarHBondContact O-N 2.78Å; K627-K675 HydrophobicContact CD-CD 3.9Å; K627-K675 HydrophobicContact CD-CG 4.34Å; K627-E677 WeakPolarHBondContact CG-O 3.46Å; K627-E677 PolarHBondContact N-O 3.2Å; K627-E677 PolarHBondContact N-OE2 3.28Å; K627-E677 PolarHBondContact NZ-O 2.87Å; K627-G679 PolarHBondContact NZ-O 3.44Å; K627-L723 HydrophobicContact CB-CD1 4.25Å; K627-L723 HydrophobicContact CB-CD2 3.77Å; K627-L723 HydrophobicContact CD-CD2 4.27Å; K627-E812 VanDerWaalsContact CE-CD 3.45Å; K627-E812 WeakPolarHBondContact CE-OE1 3.23Å; K627-E812 WeakPolarHBondContact CE-OE2 3.47Å; K627-E812 HydrophobicContact CG-CB 4.43Å; K627-E812 IonicContact NZ-OE1 3.56Å
628	S	96.9	Very high	96	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-37.4	178.2	67.7	0	0	0	0	112.5	K626 Q631 L632 E677	K626-S628 PolarHBondContact O-N 2.96Å; S628-Q631 PolarHBondContact O-N 2.9Å; S628-L632 WeakPolarHBondContact O-CB 3.33Å; S628-L632 VanDerWaalsContact O-CG 3.29Å; S628-L632 WeakPolarHBondContact O-CG 3.4Å; S628-L632 PolarHBondContact O-N 3.01Å; S628-E677 VanDerWaalsContact CB-OE1 3.22Å; S628-E677 WeakPolarHBondContact CB-OE1 3.45Å; S628-E677 WeakPolarHBondContact CB-OE2 3.31Å; S628-E677 PolarHBondContact N-OE2 3.45Å; S628-E677 PolarHBondContact OG-OE1 3.03Å; S628-E677 PolarHBondContact OG-OE2 3.09Å; S628-E677 VanDerWaalsContact OG-OE2 3.05Å
629	L	96.8	Very high	95.3	Very high	80 Å²	80	46.1 Å²	46.1	42%	0.419	23%	0.232	S	C	.	.	H	α-helix	trans	-65.3	-43.1	179.6	-170.4	60.7	0	0	0	110.8	L623 K626 K627 H633	L623-L629 HydrophobicContact CD1-CB 4.29Å; L623-L629 HydrophobicContact CD1-CD2 4.2Å; L623-L629 HydrophobicContact CD1-CG 3.63Å; L623-L629 WeakPolarHBondContact CD1-O 3.3Å; K626-L629 HydrophobicContact CB-CB 3.83Å; K626-L629 HydrophobicContact CB-CD2 4.44Å; K626-L629 HydrophobicContact CD-CB 4.18Å; K626-L629 HydrophobicContact CG-CB 3.96Å; K626-L629 WeakPolarHBondContact O-CB 3.34Å; K626-L629 PolarHBondContact O-N 3.49Å; K626-L629 VanDerWaalsContact O-N 3.09Å; K627-L629 VanDerWaalsContact C-N 3.33Å; K627-L629 PolarHBondContact O-N 3.27Å; L629-H633 WeakPolarHBondContact O-CB 3.48Å; L629-H633 PolarHBondContact O-N 2.89Å
630	T	97.9	Very high	94.6	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-54.2	-55.8	172.8	-67	0	0	0	0	111.3	L623 A624 K626 K627 H633 L634 L810 I813	L623-T630 PolarHBondContact O-OG1 3.03Å; A624-T630 WeakPolarHBondContact CA-OG1 3.38Å; A624-T630 PolarHBondContact O-OG1 3.43Å; K626-T630 PolarHBondContact O-N 2.84Å; K626-T630 PolarHBondContact O-OG1 3.44Å; K627-T630 PolarHBondContact O-N 2.87Å; T630-H633 PolarHBondContact O-N 3.26Å; T630-L634 HydrophobicContact CG2-CD1 3.86Å; T630-L634 HydrophobicContact CG2-CG 4.49Å; T630-L634 WeakPolarHBondContact O-CB 3.47Å; T630-L634 VanDerWaalsContact O-CG 3.28Å; T630-L634 WeakPolarHBondContact O-CG 3.32Å; T630-L634 PolarHBondContact O-N 2.68Å; T630-L810 HydrophobicContact CG2-CD2 3.71Å; T630-I813 HydrophobicContact CG2-CD1 4.01Å; T630-I813 HydrophobicContact CG2-CG1 4.39Å
631	Q	97.8	Very high	94.1	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-50.9	-176	-66.7	-70.2	-1.8	0	0	111.9	K627 S628 H633 L634 L635 L810	K627-Q631 WeakPolarHBondContact O-CG 3.43Å; K627-Q631 PolarHBondContact O-N 2.78Å; S628-Q631 PolarHBondContact O-N 2.9Å; Q631-H633 VanDerWaalsContact C-N 3.32Å; Q631-H633 PolarHBondContact O-N 2.88Å; Q631-L634 PolarHBondContact O-N 3.34Å; Q631-L635 WeakPolarHBondContact O-CB 3.49Å; Q631-L635 WeakPolarHBondContact O-CG 3.44Å; Q631-L635 PolarHBondContact O-N 2.87Å; Q631-L810 PolarHBondContact NE2-O 3.27Å
632	L	97	Very high	93.4	Very high	56 Å²	56	60.5 Å²	60.5	29%	0.293	30%	0.296	S	S	.	.	H	α-helix	trans	-65.4	-34.8	-178.4	-67.7	175.4	0	0	0	112.9	S628 L635 R636	S628-L632 WeakPolarHBondContact O-CB 3.33Å; S628-L632 VanDerWaalsContact O-CG 3.29Å; S628-L632 WeakPolarHBondContact O-CG 3.4Å; S628-L632 PolarHBondContact O-N 3.01Å; L632-L635 HydrophobicContact CD2-CD1 4.44Å; L632-R636 WeakPolarHBondContact O-CG 3.15Å
633	H	97.6	Very high	93.2	Very high	56 Å²	56	58.2 Å²	58.2	26%	0.259	29%	0.291	S	S	.	.	H	α-helix	trans	-65.1	-53.1	174.5	177.4	84.3	0	0	0	110.6	L623 L629 T630 Q631 L635 R636 H637 G789	L623-H633 HydrophobicContact CD1-CB 3.59Å; L623-H633 HydrophobicContact CD2-CB 4.4Å; L623-H633 VanDerWaalsContact CD2-CD2 3.47Å; L623-H633 WeakPolarHBondContact CD2-CD2 3.34Å; L629-H633 WeakPolarHBondContact O-CB 3.48Å; L629-H633 PolarHBondContact O-N 2.89Å; T630-H633 PolarHBondContact O-N 3.26Å; Q631-H633 VanDerWaalsContact C-N 3.32Å; Q631-H633 PolarHBondContact O-N 2.88Å; H633-L635 VanDerWaalsContact C-N 3.32Å; H633-L635 PolarHBondContact O-N 3.45Å; H633-R636 WeakPolarHBondContact O-CB 3.18Å; H633-R636 PolarHBondContact O-N 3.32Å; H633-R636 VanDerWaalsContact O-N 3.07Å; H633-H637 AromaticContact CD2-CD2 3.66Å; H633-H637 AromaticContact CD2-NE2 3.71Å; H633-H637 AromaticContact CE1-CD2 3.9Å; H633-H637 AromaticContact CE1-NE2 3.17Å; H633-H637 PolarHBondContact CE1-NE2 3Å; H633-H637 AromaticContact ND1-NE2 3.92Å; H633-H637 AromaticContact NE2-CD2 3.44Å; H633-H637 PolarHBondContact NE2-CD2 2.86Å; H633-H637 AromaticContact NE2-NE2 3.01Å; H633-H637 PolarHBondContact NE2-NE2 3.38Å; H633-H637 PolarHBondContact O-CD2 3.34Å; H633-H637 VanDerWaalsContact O-CD2 3.22Å; H633-G789 PolarHBondContact NE2-O 2.55Å
634	L	97.5	Very high	93.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-35.2	-178	-66.3	178.5	0	0	0	112.8	T630 Q631 R636 H637 P645 S646 A649 C786 L810	T630-L634 HydrophobicContact CG2-CD1 3.86Å; T630-L634 HydrophobicContact CG2-CG 4.49Å; T630-L634 WeakPolarHBondContact O-CB 3.47Å; T630-L634 VanDerWaalsContact O-CG 3.28Å; T630-L634 WeakPolarHBondContact O-CG 3.32Å; T630-L634 PolarHBondContact O-N 2.68Å; Q631-L634 PolarHBondContact O-N 3.34Å; L634-R636 PolarHBondContact O-N 3.2Å; L634-R636 VanDerWaalsContact O-N 3.16Å; L634-H637 PolarHBondContact O-N 3.41Å; L634-P645 HydrophobicContact CB-CB 4.39Å; L634-P645 HydrophobicContact CD2-CB 3.74Å; L634-S646 WeakPolarHBondContact O-CA 3.19Å; L634-S646 WeakPolarHBondContact O-CB 3.09Å; L634-S646 PolarHBondContact O-N 2.88Å; L634-A649 HydrophobicContact CB-CB 3.73Å; L634-C786 HydrophobicContact CD1-CB 3.98Å; L634-L810 HydrophobicContact CD1-CD2 3.52Å
635	L	96.3	Very high	93	Very high	48 Å²	48	58.1 Å²	58.1	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-56.1	-30	174	-82.3	173.2	0	0	0	113.1	Q631 L632 H633 H637 H638 S646 A649	Q631-L635 WeakPolarHBondContact O-CB 3.49Å; Q631-L635 WeakPolarHBondContact O-CG 3.44Å; Q631-L635 PolarHBondContact O-N 2.87Å; L632-L635 HydrophobicContact CD2-CD1 4.44Å; H633-L635 VanDerWaalsContact C-N 3.32Å; H633-L635 PolarHBondContact O-N 3.45Å; L635-H637 VanDerWaalsContact C-N 3.33Å; L635-H638 PolarHBondContact O-CE1 3.33Å; L635-H638 PolarHBondContact O-NE2 3.45Å; L635-S646 WeakPolarHBondContact O-CB 3.38Å; L635-A649 HydrophobicContact CD2-CB 4.03Å; L635-A649 HydrophobicContact CG-CB 3.81Å
636	R	95.6	Very high	93.1	Very high	198 Å²	198	58.7 Å²	58.7	75%	0.747	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.9	179.4	-63.4	170	-178.6	178.7	1.4	113.1	L632 H633 L634 H638	L632-R636 WeakPolarHBondContact O-CG 3.15Å; H633-R636 WeakPolarHBondContact O-CB 3.18Å; H633-R636 PolarHBondContact O-N 3.32Å; H633-R636 VanDerWaalsContact O-N 3.07Å; L634-R636 PolarHBondContact O-N 3.2Å; L634-R636 VanDerWaalsContact O-N 3.16Å; R636-H638 PolarHBondContact O-N 3.18Å
637	H	92.2	Very high	93.2	Very high	79 Å²	79	59.4 Å²	59.4	37%	0.366	30%	0.302	S	S	.	.			trans	-91.9	86.2	-176.8	-80	-75.1	0	0	0	112.1	H633 L634 L635 P645 S646	H633-H637 AromaticContact CD2-CD2 3.66Å; H633-H637 AromaticContact CD2-NE2 3.71Å; H633-H637 AromaticContact CE1-CD2 3.9Å; H633-H637 AromaticContact CE1-NE2 3.17Å; H633-H637 PolarHBondContact CE1-NE2 3Å; H633-H637 AromaticContact ND1-NE2 3.92Å; H633-H637 AromaticContact NE2-CD2 3.44Å; H633-H637 PolarHBondContact NE2-CD2 2.86Å; H633-H637 AromaticContact NE2-NE2 3.01Å; H633-H637 PolarHBondContact NE2-NE2 3.38Å; H633-H637 PolarHBondContact O-CD2 3.34Å; H633-H637 VanDerWaalsContact O-CD2 3.22Å; L634-H637 PolarHBondContact O-N 3.41Å; L635-H637 VanDerWaalsContact C-N 3.33Å; H637-P645 HydrophobicContact CB-CB 4.42Å; H637-P645 HydrophobicContact CB-CG 4.29Å; H637-S646 WeakPolarHBondContact O-CB 3.44Å; H637-S646 PolarHBondContact O-N 2.99Å; H637-S646 PolarHBondContact O-OG 2.93Å
638	H	91.4	Very high	93.2	Very high	143 Å²	143	59.1 Å²	59.1	66%	0.662	30%	0.301	S	S	*	.			trans	-99.3	161.9	174.2	-52.4	-59.4	0	0	0	112.5	L635 R636 S646	L635-H638 PolarHBondContact O-CE1 3.33Å; L635-H638 PolarHBondContact O-NE2 3.45Å; R636-H638 PolarHBondContact O-N 3.18Å; H638-S646 WeakPolarHBondContact ND1-CB 3.24Å; H638-S646 PolarHBondContact ND1-OG 2.89Å
639	G	81.6	Confident	93.2	Very high	36 Å²	36	59.2 Å²	59.2	37%	0.371	30%	0.302	S	S	.	.	S	Bend	trans	91.2	-167.9	170.9	0	0	0	0	0	114.7	A644	G639-A644 WeakPolarHBondContact O-CB 3.26Å
640	P	82.3	Confident	93.2	Very high	125 Å²	125	55.6 Å²	55.6	81%	0.812	28%	0.283	S	S	*	.	S	Bend	trans	-70.6	152.1	-177	29.2	-34.3	0	0	0	112.3
641	P	85.5	Confident	93	Very high	85 Å²	85	58 Å²	58	55%	0.552	30%	0.299	S	S	*	.	S	Bend	cis	-74.2	137.3	-0.9	31.4	-35.6	0	0	0	112.4	P643	P641-P643 CarbonylContact O-C 3.5Å
642	W	82.3	Confident	93	Very high	185 Å²	185	58.2 Å²	58.2	70%	0.701	30%	0.301	S	S	*	.	S	Bend	trans	-80.4	147.8	178.2	-174.9	-96.3	0	0	0	111.5	L647 R785	W642-L647 HydrophobicContact CE3-CD1 4.35Å; W642-L647 HydrophobicContact CH2-CD1 3.48Å; W642-L647 VanDerWaalsContact CH2-CD1 3.48Å; W642-L647 HydrophobicContact CH2-CD2 3.97Å; W642-L647 HydrophobicContact CH2-CG 4.25Å; W642-L647 HydrophobicContact CZ2-CD1 3.69Å; W642-L647 HydrophobicContact CZ3-CD1 3.82Å; W642-L647 HydrophobicContact CZ3-CD2 4.43Å; W642-L647 HydrophobicContact CZ3-CG 4.46Å; W642-R785 PolarHBondContact O-NH2 2.92Å
643	P	90.8	Very high	93	Very high	29 Å²	29	56.1 Å²	56.1	19%	0.188	29%	0.29	C	S	.	.	S	Bend	cis	-65.8	143.6	-11.2	26.2	-32.2	0	0	0	112.4	P641 L647 Q781 R785	P641-P643 CarbonylContact O-C 3.5Å; P643-L647 HydrophobicContact CB-CD1 3.68Å; P643-Q781 HydrophobicContact CG-CG 3.72Å; P643-R785 HydrophobicContact CG-CG 4.38Å; P643-R785 VanDerWaalsContact O-CD 3.31Å; P643-R785 WeakPolarHBondContact O-CD 3.4Å; P643-R785 WeakPolarHBondContact O-CG 3.39Å; P643-R785 PolarHBondContact O-NE 2.72Å; P643-R785 VanDerWaalsContact O-NE 3.16Å
644	A	93.8	Very high	92.9	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-78.2	144.6	179.7	0	0	0	0	0	110.9	G639 S646 L647	G639-A644 WeakPolarHBondContact O-CB 3.26Å; A644-S646 PolarHBondContact O-N 3.43Å; A644-S646 VanDerWaalsContact O-N 3.14Å; A644-L647 WeakPolarHBondContact O-CB 3.47Å; A644-L647 WeakPolarHBondContact O-CG 3.48Å; A644-L647 PolarHBondContact O-N 3.2Å; A644-L647 VanDerWaalsContact O-N 3.09Å
645	P	94.6	Very high	92.9	Very high	16 Å²	16	55.6 Å²	55.6	10%	0.104	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-59.1	-27.9	-179.9	-21.8	31.5	0	0	0	114.1	L634 H637 L647 H648 A649 R785	L634-P645 HydrophobicContact CB-CB 4.39Å; L634-P645 HydrophobicContact CD2-CB 3.74Å; H637-P645 HydrophobicContact CB-CB 4.42Å; H637-P645 HydrophobicContact CB-CG 4.29Å; P645-L647 PolarHBondContact O-N 3.04Å; P645-L647 VanDerWaalsContact O-N 3.07Å; P645-H648 PolarHBondContact O-N 2.88Å; P645-A649 PolarHBondContact O-N 3.49Å; P645-R785 HydrophobicContact CG-CB 4.44Å; P645-R785 WeakPolarHBondContact CG-O 3.38Å
646	S	96.7	Very high	92.7	Very high	19 Å²	19	60 Å²	60	13%	0.133	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-59.5	-19.7	176.8	69.6	0	0	0	0	114.4	L634 L635 H637 H638 A644 H648	L634-S646 WeakPolarHBondContact O-CA 3.19Å; L634-S646 WeakPolarHBondContact O-CB 3.09Å; L634-S646 PolarHBondContact O-N 2.88Å; L635-S646 WeakPolarHBondContact O-CB 3.38Å; H637-S646 WeakPolarHBondContact O-CB 3.44Å; H637-S646 PolarHBondContact O-N 2.99Å; H637-S646 PolarHBondContact O-OG 2.93Å; H638-S646 WeakPolarHBondContact ND1-CB 3.24Å; H638-S646 PolarHBondContact ND1-OG 2.89Å; A644-S646 PolarHBondContact O-N 3.43Å; A644-S646 VanDerWaalsContact O-N 3.14Å; S646-H648 PolarHBondContact O-N 3.38Å
647	L	96.2	Very high	92.7	Very high	62 Å²	62	52.8 Å²	52.8	33%	0.325	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-70.8	-20.9	177.5	-64	172.9	0	0	0	112.8	W642 P643 A644 P645 R809	W642-L647 HydrophobicContact CE3-CD1 4.35Å; W642-L647 HydrophobicContact CH2-CD1 3.48Å; W642-L647 VanDerWaalsContact CH2-CD1 3.48Å; W642-L647 HydrophobicContact CH2-CD2 3.97Å; W642-L647 HydrophobicContact CH2-CG 4.25Å; W642-L647 HydrophobicContact CZ2-CD1 3.69Å; W642-L647 HydrophobicContact CZ3-CD1 3.82Å; W642-L647 HydrophobicContact CZ3-CD2 4.43Å; W642-L647 HydrophobicContact CZ3-CG 4.46Å; P643-L647 HydrophobicContact CB-CD1 3.68Å; A644-L647 WeakPolarHBondContact O-CB 3.47Å; A644-L647 WeakPolarHBondContact O-CG 3.48Å; A644-L647 PolarHBondContact O-N 3.2Å; A644-L647 VanDerWaalsContact O-N 3.09Å; P645-L647 PolarHBondContact O-N 3.04Å; P645-L647 VanDerWaalsContact O-N 3.07Å; L647-R809 VanDerWaalsContact O-CZ 3.26Å; L647-R809 PolarHBondContact O-NH1 2.85Å
648	H	97.1	Very high	92.7	Very high	13 Å²	13	52.2 Å²	52.2	6%	0.06	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-22.6	-173.5	-54.3	-57.7	0	0	0	112.2	P645 S646 A782 P808 R809 L810	P645-H648 PolarHBondContact O-N 2.88Å; S646-H648 PolarHBondContact O-N 3.38Å; H648-A782 VanDerWaalsContact CE1-CB 3.46Å; H648-A782 WeakPolarHBondContact CE1-CB 3.5Å; H648-P808 PolarHBondContact ND1-O 3.36Å; H648-P808 VanDerWaalsContact ND1-O 3.14Å; H648-R809 CarbonylContact O-C 3.55Å; H648-R809 VanDerWaalsContact O-CA 3.27Å; H648-R809 WeakPolarHBondContact O-CA 3.34Å; H648-R809 WeakPolarHBondContact O-CD 3.44Å; H648-L810 PolarHBondContact O-N 2.89Å
649	A	97	Very high	92.8	Very high	7 Å²	7	48.2 Å²	48.2	6%	0.058	28%	0.281	C	S	.	.			trans	-78.9	156.5	178.9	0	0	0	0	0	112.3	L634 L635 P645	L634-A649 HydrophobicContact CB-CB 3.73Å; L635-A649 HydrophobicContact CD2-CB 4.03Å; L635-A649 HydrophobicContact CG-CB 3.81Å; P645-A649 PolarHBondContact O-N 3.49Å
650	V	95.8	Very high	93.5	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.018	27%	0.269	C	S	.	.			trans	-124.9	152.5	-179.4	-63	0	0	0	0	111.8	M725 E726 V728 R809	V650-M725 HydrophobicContact CG2-CG 3.61Å; V650-M725 HydrophobicContact CG2-SD 3.82Å; V650-E726 HydrophobicContact CB-CB 4.37Å; V650-V728 HydrophobicContact CG1-CG2 3.83Å; V650-V728 HydrophobicContact CG2-CG2 4.39Å; V650-R809 HydrophobicContact CG1-CB 4.32Å; V650-R809 HydrophobicContact CG1-CG 4.35Å
651	P	94.4	Very high	94.2	Very high	53 Å²	53	41.8 Å²	41.8	34%	0.344	23%	0.231	S	C	.	.			trans	-54.1	137.5	170.4	-24	33.3	0	0	0	112.6	E726	P651-E726 VanDerWaalsContact CD-OE2 3.22Å; P651-E726 WeakPolarHBondContact CD-OE2 3.18Å; P651-E726 PolarHBondContact O-N 3.21Å; P651-E726 VanDerWaalsContact O-N 3.11Å
652	C	96.6	Very high	94.6	Very high	8 Å²	8	43.4 Å²	43.4	5%	0.054	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	165	172.1	70.4	0	0	0	0	111.3	L723 L724 M725	C652-L723 HydrophobicContact CB-CD1 4.1Å; C652-L724 CarbonylContact C-O 3.54Å; C652-L724 WeakPolarHBondContact CA-O 3.47Å; C652-L724 WeakPolarHBondContact CB-O 3.48Å; C652-M725 HydrophobicContact CB-CB 4.15Å; C652-M725 HydrophobicContact CB-CG 4.14Å
653	C	97.1	Very high	95.2	Very high	11 Å²	11	40 Å²	40	7%	0.074	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.1	176.7	-75.8	0	0	0	0	110.1	A664 Q667 V668 L723 L724	C653-A664 HydrophobicContact CB-CB 3.58Å; C653-Q667 PolarHBondContact SG-OE1 2.87Å; C653-V668 HydrophobicContact CB-CG2 4.13Å; C653-L723 CarbonylContact O-C 3.49Å; C653-L723 VanDerWaalsContact O-CA 3.25Å; C653-L723 WeakPolarHBondContact O-CA 3.37Å; C653-L723 WeakPolarHBondContact O-CB 3.45Å; C653-L724 PolarHBondContact N-O 2.95Å; C653-L724 PolarHBondContact O-N 2.95Å
654	P	97	Very high	95.4	Very high	45 Å²	45	38.7 Å²	38.7	29%	0.292	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	147.8	170.3	30.1	-34.4	0	0	0	110.8	E677	P654-E677 WeakPolarHBondContact CB-OE1 3.43Å
655	L	96.4	Very high	95.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	113.8	-175.2	-52.3	176.3	0	0	0	109.8	D660 V661 A664 M674 F698 M722 L724	L655-D660 HydrophobicContact CD2-CB 4.03Å; L655-V661 HydrophobicContact CD1-CG2 4.42Å; L655-V661 HydrophobicContact CD2-CG2 4.4Å; L655-A664 HydrophobicContact CD2-CB 3.56Å; L655-M674 HydrophobicContact CD1-CE 3.47Å; L655-M674 VanDerWaalsContact CD1-CE 3.47Å; L655-F698 HydrophobicContact CB-CD2 4.14Å; L655-F698 HydrophobicContact CB-CE2 3.79Å; L655-F698 HydrophobicContact CD1-CD2 4.34Å; L655-M722 HydrophobicContact CB-CB 4.13Å; L655-M722 HydrophobicContact CD1-CB 4.29Å; L655-M722 PolarHBondContact N-O 3.3Å; L655-M722 PolarHBondContact O-N 3.09Å; L655-L724 HydrophobicContact CD1-CB 4.1Å
656	E	92.9	Very high	95.3	Very high	139 Å²	139	47.1 Å²	47.1	65%	0.65	25%	0.248	S	C	*	.	S	Bend	trans	-119.6	-11.8	174.7	-64.3	-177.4	-168.6	0	0	111.8	D660 A721	E656-D660 PolarHBondContact N-OD2 3.04Å; E656-D660 VanDerWaalsContact N-OD2 3.07Å; E656-A721 HydrophobicContact CG-CB 4.3Å
657	S	94.4	Very high	95.1	Very high	47 Å²	47	51.8 Å²	51.8	33%	0.329	27%	0.268	S	S	.	.	S	Bend	trans	-149.5	162.9	-179.2	67.7	0	0	0	0	112.6	A659 D660 V661	S657-A659 PolarHBondContact O-N 2.97Å; S657-D660 PolarHBondContact N-OD2 3.33Å; S657-D660 WeakPolarHBondContact O-CA 3.28Å; S657-D660 VanDerWaalsContact O-CB 3.31Å; S657-D660 WeakPolarHBondContact O-CB 3.37Å; S657-D660 PolarHBondContact O-N 2.81Å; S657-D660 PolarHBondContact OG-N 3.27Å; S657-D660 PolarHBondContact OG-OD2 3Å; S657-V661 PolarHBondContact O-N 3.46Å
658	E	92.9	Very high	95	Very high	68 Å²	68	49.1 Å²	49.1	32%	0.318	25%	0.254	S	S	.	.	H	α-helix	trans	-57	-33.9	174.1	-72.5	-70	173.6	0	0	112.8	D660 V661 E662 H695 F698 S699	E658-D660 PolarHBondContact O-N 2.79Å; E658-V661 WeakPolarHBondContact O-CB 3.48Å; E658-V661 PolarHBondContact O-N 3.5Å; E658-V661 VanDerWaalsContact O-N 3.14Å; E658-E662 PolarHBondContact O-N 3.39Å; E658-H695 IonicContact OE2-CE1 3.19Å; E658-H695 IonicContact OE2-CG 3.08Å; E658-H695 IonicContact OE2-ND1 2.72Å; E658-H695 PolarHBondContact OE2-ND1 3.16Å; E658-F698 HydrophobicContact CG-CD1 4.33Å; E658-F698 HydrophobicContact CG-CE1 4.41Å; E658-S699 PolarHBondContact OE1-OG 2.79Å
659	A	94.3	Very high	94.7	Very high	59 Å²	59	52.2 Å²	52.2	49%	0.488	28%	0.275	S	S	.	.	H	α-helix	trans	-66.6	-27.3	175.6	0	0	0	0	0	112.6	S657 R663	S657-A659 PolarHBondContact O-N 2.97Å; A659-R663 PolarHBondContact O-N 3.4Å
660	D	96	Very high	94.5	Very high	24 Å²	24	54.9 Å²	54.9	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-72.8	-33.9	173.7	-56.9	-44.7	0	0	0	111.2	L655 E656 S657 E658 R663 A664	L655-D660 HydrophobicContact CD2-CB 4.03Å; E656-D660 PolarHBondContact N-OD2 3.04Å; E656-D660 VanDerWaalsContact N-OD2 3.07Å; S657-D660 PolarHBondContact N-OD2 3.33Å; S657-D660 WeakPolarHBondContact O-CA 3.28Å; S657-D660 VanDerWaalsContact O-CB 3.31Å; S657-D660 WeakPolarHBondContact O-CB 3.37Å; S657-D660 PolarHBondContact O-N 2.81Å; S657-D660 PolarHBondContact OG-N 3.27Å; S657-D660 PolarHBondContact OG-OD2 3Å; E658-D660 PolarHBondContact O-N 2.79Å; D660-R663 PolarHBondContact O-N 3.05Å; D660-R663 IonicContact OD1-CZ 2.76Å; D660-R663 IonicContact OD1-NH1 3.81Å; D660-R663 PolarHBondContact OD1-NH1 3.03Å; D660-R663 IonicContact OD1-NH2 3.8Å; D660-R663 PolarHBondContact OD1-NH2 3.38Å; D660-A664 WeakPolarHBondContact O-CB 3.49Å; D660-A664 PolarHBondContact O-N 2.93Å
661	V	95.8	Very high	94.5	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-49.7	174.3	-175.5	0	0	0	0	110.1	L655 S657 E658 R663 A664 V665 C694 F698	L655-V661 HydrophobicContact CD1-CG2 4.42Å; L655-V661 HydrophobicContact CD2-CG2 4.4Å; S657-V661 PolarHBondContact O-N 3.46Å; E658-V661 WeakPolarHBondContact O-CB 3.48Å; E658-V661 PolarHBondContact O-N 3.5Å; E658-V661 VanDerWaalsContact O-N 3.14Å; V661-R663 PolarHBondContact O-N 2.95Å; V661-A664 PolarHBondContact O-N 2.92Å; V661-A664 VanDerWaalsContact O-N 3.13Å; V661-V665 WeakPolarHBondContact O-CG1 3.39Å; V661-V665 PolarHBondContact O-N 2.93Å; V661-V665 VanDerWaalsContact O-N 3.09Å; V661-C694 HydrophobicContact CG1-CB 3.69Å; V661-F698 HydrophobicContact CG2-CB 3.89Å; V661-F698 HydrophobicContact CG2-CD1 3.97Å; V661-F698 HydrophobicContact CG2-CD2 3.94Å; V661-F698 HydrophobicContact CG2-CG 3.64Å
662	E	93.7	Very high	94.6	Very high	119 Å²	119	55.2 Å²	55.2	56%	0.556	29%	0.291	S	S	*	.	H	α-helix	trans	-56.7	-39.6	177	-65.9	-173.9	167.6	0	0	112	E658 V665 H666	E658-E662 PolarHBondContact O-N 3.39Å; E662-V665 WeakPolarHBondContact O-CG2 3.46Å; E662-H666 PolarHBondContact O-CD2 3.41Å
663	R	94.7	Very high	94.6	Very high	114 Å²	114	55.3 Å²	55.3	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-71.1	-42.2	177.5	-175	175.5	66	-112.8	0.6	112	A659 D660 V661 H666 Q667	A659-R663 PolarHBondContact O-N 3.4Å; D660-R663 PolarHBondContact O-N 3.05Å; D660-R663 IonicContact OD1-CZ 2.76Å; D660-R663 IonicContact OD1-NH1 3.81Å; D660-R663 PolarHBondContact OD1-NH1 3.03Å; D660-R663 IonicContact OD1-NH2 3.8Å; D660-R663 PolarHBondContact OD1-NH2 3.38Å; V661-R663 PolarHBondContact O-N 2.95Å; R663-H666 PolarHBondContact O-N 3.28Å; R663-Q667 WeakPolarHBondContact O-CG 3.19Å; R663-Q667 PolarHBondContact O-N 2.85Å
664	A	95.1	Very high	94.6	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-67.4	-38.4	-174.2	0	0	0	0	0	112.6	C653 L655 D660 V661 H666 Q667 V668 L724	C653-A664 HydrophobicContact CB-CB 3.58Å; L655-A664 HydrophobicContact CD2-CB 3.56Å; D660-A664 WeakPolarHBondContact O-CB 3.49Å; D660-A664 PolarHBondContact O-N 2.93Å; V661-A664 PolarHBondContact O-N 2.92Å; V661-A664 VanDerWaalsContact O-N 3.13Å; A664-H666 PolarHBondContact O-N 2.89Å; A664-H666 VanDerWaalsContact O-N 3.11Å; A664-Q667 PolarHBondContact O-N 3.3Å; A664-V668 PolarHBondContact O-N 3.09Å; A664-L724 HydrophobicContact CB-CB 4.24Å; A664-L724 HydrophobicContact CB-CD2 3.85Å
665	V	94.5	Very high	94.5	Very high	24 Å²	24	53 Å²	53	15%	0.145	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.3	177.6	-63.6	0	0	0	0	113.5	V661 E662 A691 C694 L724	V661-V665 WeakPolarHBondContact O-CG1 3.39Å; V661-V665 PolarHBondContact O-N 2.93Å; V661-V665 VanDerWaalsContact O-N 3.09Å; E662-V665 WeakPolarHBondContact O-CG2 3.46Å; V665-A691 HydrophobicContact CB-CB 4.13Å; V665-A691 HydrophobicContact CG1-CB 3.88Å; V665-A691 HydrophobicContact CG2-CB 4.11Å; V665-C694 HydrophobicContact CG1-CB 4.09Å; V665-L724 HydrophobicContact CG1-CD2 4.45Å
666	H	92.6	Very high	94.4	Very high	170 Å²	170	53.1 Å²	53.1	79%	0.787	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-14.5	172.9	-67.6	-52	0	0	0	113.8	E662 R663 A664	E662-H666 PolarHBondContact O-CD2 3.41Å; R663-H666 PolarHBondContact O-N 3.28Å; A664-H666 PolarHBondContact O-N 2.89Å; A664-H666 VanDerWaalsContact O-N 3.11Å
667	Q	92.7	Very high	94.5	Very high	118 Å²	118	46.5 Å²	46.5	55%	0.551	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-30.8	-175.1	-68.6	-176.6	6.6	0	0	113.2	C653 R663 A664	C653-Q667 PolarHBondContact SG-OE1 2.87Å; R663-Q667 WeakPolarHBondContact O-CG 3.19Å; R663-Q667 PolarHBondContact O-N 2.85Å; A664-Q667 PolarHBondContact O-N 3.3Å
668	V	93.8	Very high	94.4	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.03	23%	0.234	C	C	.	.	S	Bend	trans	-107.3	127.7	179.6	-176.8	0	0	0	0	109.1	C653 A664 L724 E726	C653-V668 HydrophobicContact CB-CG2 4.13Å; A664-V668 PolarHBondContact O-N 3.09Å; V668-L724 HydrophobicContact CB-CD2 3.97Å; V668-L724 HydrophobicContact CB-CG 4.11Å; V668-L724 HydrophobicContact CG1-CD2 4.48Å; V668-L724 HydrophobicContact CG1-CG 4.16Å; V668-L724 HydrophobicContact CG2-CD2 4.4Å; V668-L724 HydrophobicContact CG2-CG 4.35Å; V668-E726 HydrophobicContact CG1-CB 4.36Å
669	P	90.6	Very high	94.2	Very high	78 Å²	78	42.6 Å²	42.6	51%	0.506	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-59	141.8	174.5	-22.7	33.5	0	0	0	112.1
670	L	93.6	Very high	93.9	Very high	63 Å²	63	40.8 Å²	40.8	33%	0.33	21%	0.208	S	C	.	.	S	Bend	trans	-103.5	145	173.2	-63.5	171.4	0	0	0	110.9	V688 L724	L670-V688 HydrophobicContact CD2-CG2 4.29Å; L670-L724 HydrophobicContact CD2-CD1 4.46Å
671	P	95.3	Very high	93.3	Very high	63 Å²	63	40.9 Å²	40.9	41%	0.409	22%	0.215	S	C	.	.	S	Bend	cis	-66.9	149.4	5.1	30.4	-36.8	0	0	0	113	L687 V688 F727	P671-L687 HydrophobicContact CB-CD1 4.07Å; P671-V688 CarbonylContact C-O 3.56Å; P671-V688 VanDerWaalsContact CA-O 3.26Å; P671-V688 WeakPolarHBondContact CA-O 3.39Å; P671-F727 HydrophobicContact CG-CB 4.42Å; P671-F727 HydrophobicContact CG-CD1 4.17Å; P671-F727 WeakPolarHBondContact O-CB 3.33Å
672	G	96.2	Very high	92.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	169	-178.7	0	0	0	0	0	111.5	V688 M725	G672-V688 PolarHBondContact N-O 3.43Å; G672-V688 VanDerWaalsContact O-CG2 3.28Å; G672-V688 WeakPolarHBondContact O-CG2 3.43Å; G672-V688 PolarHBondContact O-N 3.36Å; G672-M725 CarbonylContact C-O 3.57Å; G672-M725 WeakPolarHBondContact CA-O 3.44Å
673	V	97.1	Very high	92.6	Very high	10 Å²	10	37.1 Å²	37.1	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119.1	176.4	-179.3	0	0	0	0	108.8	V685 L687 M725 F727 F760	V673-V685 HydrophobicContact CG1-CG1 3.72Å; V673-L687 HydrophobicContact CG2-CD1 4.49Å; V673-M725 PolarHBondContact N-O 3.44Å; V673-M725 PolarHBondContact O-N 3.26Å; V673-F727 HydrophobicContact CG2-CB 4.33Å; V673-F727 HydrophobicContact CG2-CD2 3.81Å; V673-F760 HydrophobicContact CG1-CE2 4.22Å; V673-F760 HydrophobicContact CG2-CE2 3.99Å; V673-F760 HydrophobicContact CG2-CZ 3.88Å
674	M	97.1	Very high	92.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.6	168.1	-72.4	-174.1	71	0	0	109.6	L655 V685 R686 V688 C694 H697 F698 M722 L723 L724	L655-M674 HydrophobicContact CD1-CE 3.47Å; L655-M674 VanDerWaalsContact CD1-CE 3.47Å; M674-V685 CarbonylContact O-C 3.57Å; M674-V685 VanDerWaalsContact O-CA 3.29Å; M674-V685 WeakPolarHBondContact O-CA 3.27Å; M674-R686 PolarHBondContact N-O 2.88Å; M674-R686 PolarHBondContact O-N 2.8Å; M674-V688 HydrophobicContact CG-CG1 4.26Å; M674-V688 HydrophobicContact CG-CG2 3.9Å; M674-V688 HydrophobicContact SD-CG1 4.05Å; M674-V688 HydrophobicContact SD-CG2 4.31Å; M674-C694 VanDerWaalsContact SD-CA 3.53Å; M674-C694 HydrophobicContact SD-CB 3.8Å; M674-H697 HydrophobicContact SD-CB 4.4Å; M674-F698 HydrophobicContact CE-CB 3.81Å; M674-F698 HydrophobicContact CE-CD2 4.2Å; M674-M722 HydrophobicContact CB-CE 4.1Å; M674-M722 HydrophobicContact CE-CE 4.04Å; M674-M722 HydrophobicContact CE-SD 4.19Å; M674-L723 VanDerWaalsContact CA-O 3.28Å; M674-L723 WeakPolarHBondContact CA-O 3.36Å; M674-L724 HydrophobicContact CG-CB 4.48Å; M674-L724 HydrophobicContact CG-CD1 3.68Å
675	K	95.3	Very high	92.3	Very high	8 Å²	8	33 Å²	33	4%	0.035	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	160.1	175.8	58.9	179.7	176.4	166.9	0	111.9	K627 V685 M722 L723 I811 E812	K627-K675 HydrophobicContact CD-CD 3.9Å; K627-K675 HydrophobicContact CD-CG 4.34Å; K675-V685 HydrophobicContact CB-CB 4.33Å; K675-V685 HydrophobicContact CB-CG1 4.26Å; K675-V685 HydrophobicContact CB-CG2 3.75Å; K675-M722 CarbonylContact O-C 3.46Å; K675-M722 VanDerWaalsContact O-CA 3.27Å; K675-M722 WeakPolarHBondContact O-CA 3.14Å; K675-L723 HydrophobicContact CG-CD2 3.75Å; K675-L723 HydrophobicContact CG-CG 4.09Å; K675-L723 PolarHBondContact N-O 3.33Å; K675-L723 VanDerWaalsContact N-O 3.11Å; K675-L723 WeakPolarHBondContact O-CD2 3.25Å; K675-L723 PolarHBondContact O-N 2.94Å; K675-I811 PolarHBondContact NZ-O 3.24Å; K675-I811 VanDerWaalsContact NZ-O 3.16Å; K675-E812 IonicContact NZ-OE2 3.65Å; K675-E812 PolarHBondContact NZ-OE2 2.89Å
676	L	94.9	Very high	92.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	138.5	171.6	-70.3	170.6	0	0	0	110.6	F678 G679 I701 L705 I714 L716 N720 M722	L676-F678 VanDerWaalsContact C-N 3.28Å; L676-F678 PolarHBondContact O-N 2.74Å; L676-G679 PolarHBondContact O-N 2.79Å; L676-I701 HydrophobicContact CD2-CG2 3.8Å; L676-L705 HydrophobicContact CD1-CD1 4.13Å; L676-I714 HydrophobicContact CD1-CD1 4.5Å; L676-L716 HydrophobicContact CD1-CD2 4.19Å; L676-N720 HydrophobicContact CD2-CB 4.36Å; L676-M722 HydrophobicContact CD2-CG 4.14Å
677	E	94.1	Very high	92.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.162	C	C	.	.	S	Bend	trans	-59.3	-41	179.4	-77.2	-81.2	-154.1	0	0	112.3	K626 K627 S628 P654 A721 L723	K626-E677 VanDerWaalsContact CE-CD 3.45Å; K626-E677 WeakPolarHBondContact CE-OE1 3.27Å; K626-E677 HydrophobicContact CG-CB 4.36Å; K626-E677 VanDerWaalsContact CG-OE2 3.32Å; K626-E677 WeakPolarHBondContact CG-OE2 3.27Å; K627-E677 WeakPolarHBondContact CG-O 3.46Å; K627-E677 PolarHBondContact N-O 3.2Å; K627-E677 PolarHBondContact N-OE2 3.28Å; K627-E677 PolarHBondContact NZ-O 2.87Å; S628-E677 VanDerWaalsContact CB-OE1 3.22Å; S628-E677 WeakPolarHBondContact CB-OE1 3.45Å; S628-E677 WeakPolarHBondContact CB-OE2 3.31Å; S628-E677 PolarHBondContact N-OE2 3.45Å; S628-E677 PolarHBondContact OG-OE1 3.03Å; S628-E677 PolarHBondContact OG-OE2 3.09Å; S628-E677 VanDerWaalsContact OG-OE2 3.05Å; P654-E677 WeakPolarHBondContact CB-OE1 3.43Å; E677-A721 HydrophobicContact CB-CB 4.42Å; E677-A721 WeakPolarHBondContact CB-O 3.42Å; E677-A721 HydrophobicContact CG-CB 4.03Å; E677-A721 WeakPolarHBondContact CG-O 3.47Å; E677-A721 PolarHBondContact N-O 3.46Å; E677-L723 HydrophobicContact CG-CD2 4.24Å
678	F	92.5	Very high	92.7	Very high	23 Å²	23	21.3 Å²	21.3	10%	0.101	14%	0.135	C	C	.	.	S	Bend	trans	-110.7	3	-174.7	-54.9	-69.3	0	0	0	113	K625 K626 L676 W718	K625-F678 HydrophobicContact CG-CD1 3.96Å; K625-F678 HydrophobicContact CG-CE1 4.44Å; K626-F678 HydrophobicContact CB-CD1 4.47Å; K626-F678 HydrophobicContact CB-CE1 3.7Å; K626-F678 HydrophobicContact CB-CZ 4.21Å; K626-F678 HydrophobicContact CD-CE1 4.4Å; K626-F678 HydrophobicContact CD-CZ 4.02Å; K626-F678 HydrophobicContact CG-CE1 4.04Å; K626-F678 HydrophobicContact CG-CZ 4.09Å; L676-F678 VanDerWaalsContact C-N 3.28Å; L676-F678 PolarHBondContact O-N 2.74Å; F678-W718 HydrophobicContact CB-CB 3.73Å; F678-W718 HydrophobicContact CB-CG 4.13Å; F678-W718 HydrophobicContact CD1-CB 3.98Å; F678-W718 HydrophobicContact CD1-CD2 4.28Å; F678-W718 HydrophobicContact CD1-CE3 4.36Å; F678-W718 HydrophobicContact CD1-CG 4.12Å; F678-W718 HydrophobicContact CD2-CB 3.4Å; F678-W718 VanDerWaalsContact CD2-CB 3.4Å; F678-W718 HydrophobicContact CD2-CG 4.37Å; F678-W718 HydrophobicContact CE1-CB 4.42Å; F678-W718 HydrophobicContact CE1-CD2 4.44Å; F678-W718 HydrophobicContact CE1-CE3 4.06Å; F678-W718 HydrophobicContact CE2-CB 3.93Å; F678-W718 HydrophobicContact CG-CB 3.41Å; F678-W718 VanDerWaalsContact CG-CB 3.41Å; F678-W718 AromaticContact CG-CG 3.95Å; F678-W718 HydrophobicContact CG-CG 3.95Å; F678-W718 HydrophobicContact CZ-CB 4.39Å; F678-W718 HydrophobicContact CZ-CE3 4.36Å
679	G	88.6	Confident	92.9	Very high	9 Å²	9	27.1 Å²	27.1	9%	0.093	16%	0.162	C	C	.	.			trans	-60.2	156.3	-174.2	0	0	0	0	0	115	K627 L676 I714	K627-G679 PolarHBondContact NZ-O 3.44Å; L676-G679 PolarHBondContact O-N 2.79Å; G679-I714 WeakPolarHBondContact CA-O 3.27Å
680	A	88	Confident	93.1	Very high	21 Å²	21	26.5 Å²	26.5	17%	0.174	15%	0.154	C	C	.	.			trans	-132.2	170.5	168.2	0	0	0	0	0	111	A682 V683 I714	A680-A682 VanDerWaalsContact C-N 3.25Å; A680-A682 PolarHBondContact O-N 3.07Å; A680-V683 PolarHBondContact O-N 3.47Å; A680-V683 VanDerWaalsContact O-N 3.1Å; A680-I714 PolarHBondContact N-O 3.16Å
681	G	83.5	Confident	93.2	Very high	26 Å²	26	25 Å²	25	27%	0.268	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	21.6	171.1	0	0	0	0	0	115.2	V683	G681-V683 PolarHBondContact O-N 3.08Å; G681-V683 VanDerWaalsContact O-N 3.11Å
682	A	86.6	Confident	93.3	Very high	35 Å²	35	26.4 Å²	26.4	29%	0.289	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	15.6	-169.7	0	0	0	0	0	115	A680 G684 V685	A680-A682 VanDerWaalsContact C-N 3.25Å; A680-A682 PolarHBondContact O-N 3.07Å; A682-G684 PolarHBondContact O-N 2.82Å; A682-V685 HydrophobicContact CB-CG2 4.15Å; A682-V685 WeakPolarHBondContact O-CB 3.48Å; A682-V685 VanDerWaalsContact O-CG2 3.32Å; A682-V685 WeakPolarHBondContact O-CG2 3.27Å; A682-V685 PolarHBondContact O-N 2.54Å
683	V	88.5	Confident	93.3	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.042	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	130.5	177.1	178.5	0	0	0	0	110.3	A680 G681 V685 L705 I714 Y905 E907	A680-V683 PolarHBondContact O-N 3.47Å; A680-V683 VanDerWaalsContact O-N 3.1Å; G681-V683 PolarHBondContact O-N 3.08Å; G681-V683 VanDerWaalsContact O-N 3.11Å; V683-V685 PolarHBondContact O-N 2.99Å; V683-L705 HydrophobicContact CG1-CD1 3.94Å; V683-I714 HydrophobicContact CB-CD1 3.72Å; V683-I714 HydrophobicContact CG1-CD1 3.36Å; V683-I714 HydrophobicContact CG2-CD1 4.19Å; V683-I714 HydrophobicContact CG2-CG2 4.12Å; V683-Y905 HydrophobicContact CG1-CD1 3.92Å; V683-Y905 HydrophobicContact CG1-CG 3.91Å; V683-E907 HydrophobicContact CG2-CG 4.23Å
684	G	89.7	Confident	93.3	Very high	5 Å²	5	28.1 Å²	28.1	5%	0.052	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	13.7	-178.9	0	0	0	0	0	114.4	A682 H697	A682-G684 PolarHBondContact O-N 2.82Å; G684-H697 PolarHBondContact O-NE2 2.85Å
685	V	93.9	Very high	93.3	Very high	25 Å²	25	30.5 Å²	30.5	15%	0.152	18%	0.179	C	C	.	.			trans	-83.6	136.8	173.1	-172.8	0	0	0	0	110.1	V673 M674 K675 A682 V683 F760	V673-V685 HydrophobicContact CG1-CG1 3.72Å; M674-V685 CarbonylContact O-C 3.57Å; M674-V685 VanDerWaalsContact O-CA 3.29Å; M674-V685 WeakPolarHBondContact O-CA 3.27Å; K675-V685 HydrophobicContact CB-CB 4.33Å; K675-V685 HydrophobicContact CB-CG1 4.26Å; K675-V685 HydrophobicContact CB-CG2 3.75Å; A682-V685 HydrophobicContact CB-CG2 4.15Å; A682-V685 WeakPolarHBondContact O-CB 3.48Å; A682-V685 VanDerWaalsContact O-CG2 3.32Å; A682-V685 WeakPolarHBondContact O-CG2 3.27Å; A682-V685 PolarHBondContact O-N 2.54Å; V683-V685 PolarHBondContact O-N 2.99Å; V685-F760 HydrophobicContact CG1-CB 4.06Å; V685-F760 HydrophobicContact CG1-CD2 3.61Å; V685-F760 HydrophobicContact CG1-CE2 4.39Å; V685-F760 HydrophobicContact CG1-CG 4.15Å
686	R	94.9	Very high	93.4	Very high	42 Å²	42	35.2 Å²	35.2	16%	0.158	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	134.1	174	-167	171.3	-177.6	174.1	-1.9	112.6	M674 V688 E696 H697 P758	M674-R686 PolarHBondContact N-O 2.88Å; M674-R686 PolarHBondContact O-N 2.8Å; R686-V688 HydrophobicContact CG-CG1 4.36Å; R686-E696 IonicContact CZ-OE1 2.81Å; R686-E696 IonicContact NH1-OE1 3.4Å; R686-E696 PolarHBondContact NH1-OE1 3.26Å; R686-E696 VanDerWaalsContact NH1-OE1 3.08Å; R686-E696 IonicContact NH2-OE1 3.06Å; R686-H697 VanDerWaalsContact CB-NE2 3.35Å; R686-H697 WeakPolarHBondContact CB-NE2 3.36Å; R686-H697 WeakPolarHBondContact CD-ND1 3.45Å; R686-P758 CarbonylContact C-O 3.07Å; R686-P758 WeakPolarHBondContact CA-O 3.38Å; R686-P758 HydrophobicContact CG-CB 4.29Å
687	L	96.5	Very high	93.4	Very high	23 Å²	23	35.1 Å²	35.1	12%	0.12	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124.7	162.2	-175.5	65	0	0	0	109.2	P671 V673 F727 L757 P758 F760	P671-L687 HydrophobicContact CB-CD1 4.07Å; V673-L687 HydrophobicContact CG2-CD1 4.49Å; L687-F727 HydrophobicContact CD1-CB 4.36Å; L687-F727 HydrophobicContact CD1-CD2 3.62Å; L687-F727 HydrophobicContact CD1-CE2 4.05Å; L687-F727 HydrophobicContact CD1-CG 3.96Å; L687-L757 HydrophobicContact CD2-CD1 4.21Å; L687-L757 HydrophobicContact CD2-CD2 4.21Å; L687-P758 HydrophobicContact CB-CB 4.12Å; L687-P758 PolarHBondContact N-O 2.82Å; L687-F760 HydrophobicContact CB-CE2 3.72Å; L687-F760 HydrophobicContact CB-CZ 4.13Å; L687-F760 HydrophobicContact CD1-CZ 4.26Å
688	V	96.9	Very high	93.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	126.8	179	-68.2	0	0	0	0	109.9	L670 P671 G672 M674 R686 Q693 C694 L724	L670-V688 HydrophobicContact CD2-CG2 4.29Å; P671-V688 CarbonylContact C-O 3.56Å; P671-V688 VanDerWaalsContact CA-O 3.26Å; P671-V688 WeakPolarHBondContact CA-O 3.39Å; G672-V688 PolarHBondContact N-O 3.43Å; G672-V688 VanDerWaalsContact O-CG2 3.28Å; G672-V688 WeakPolarHBondContact O-CG2 3.43Å; G672-V688 PolarHBondContact O-N 3.36Å; M674-V688 HydrophobicContact CG-CG1 4.26Å; M674-V688 HydrophobicContact CG-CG2 3.9Å; M674-V688 HydrophobicContact SD-CG1 4.05Å; M674-V688 HydrophobicContact SD-CG2 4.31Å; R686-V688 HydrophobicContact CG-CG1 4.36Å; V688-Q693 HydrophobicContact CB-CB 4.22Å; V688-Q693 HydrophobicContact CG1-CB 4.2Å; V688-C694 VanDerWaalsContact CG2-SG 3.52Å; V688-L724 HydrophobicContact CG2-CD1 3.79Å
689	E	96.1	Very high	93.6	Very high	128 Å²	128	36.9 Å²	36.9	60%	0.598	21%	0.214	S	C	*	.			trans	-94	-25.5	-175.3	-61.5	-175.9	157.9	0	0	112.8
690	D	95.9	Very high	93.8	Very high	64 Å²	64	39.7 Å²	39.7	34%	0.342	22%	0.222	S	C	.	.	S	Bend	trans	-147.2	168.7	-174.7	61.2	41.6	0	0	0	112.4	P692 Q693 C694	D690-P692 VanDerWaalsContact OD1-CD 3.24Å; D690-P692 WeakPolarHBondContact OD1-CD 3.26Å; D690-Q693 PolarHBondContact O-N 3.04Å; D690-Q693 WeakPolarHBondContact OD1-CB 3.41Å; D690-Q693 VanDerWaalsContact OD1-CG 3.22Å; D690-Q693 WeakPolarHBondContact OD1-CG 3.13Å; D690-Q693 PolarHBondContact OD1-N 2.72Å; D690-C694 PolarHBondContact O-N 3.33Å; D690-C694 PolarHBondContact O-SG 3.04Å
691	A	95.7	Very high	94	Very high	32 Å²	32	38.7 Å²	38.7	26%	0.264	21%	0.214	S	C	.	.	H	α-helix	trans	-61.7	-42.5	-179.8	0	0	0	0	0	113.7	V665 Q693 C694 H695	V665-A691 HydrophobicContact CB-CB 4.13Å; V665-A691 HydrophobicContact CG1-CB 3.88Å; V665-A691 HydrophobicContact CG2-CB 4.11Å; A691-Q693 VanDerWaalsContact C-N 3.32Å; A691-Q693 PolarHBondContact O-N 2.82Å; A691-C694 VanDerWaalsContact O-CB 3.31Å; A691-C694 WeakPolarHBondContact O-CB 3.26Å; A691-C694 PolarHBondContact O-N 2.88Å; A691-H695 PolarHBondContact O-CD2 2.77Å; A691-H695 PolarHBondContact O-N 3.25Å; A691-H695 VanDerWaalsContact O-N 3.08Å
692	P	96.9	Very high	94.4	Very high	92 Å²	92	40.1 Å²	40.1	60%	0.597	22%	0.217	S	C	*	.	H	α-helix	trans	-53.4	-44.7	173	-28.8	35	0	0	0	114	D690 C694 H695 E696	D690-P692 VanDerWaalsContact OD1-CD 3.24Å; D690-P692 WeakPolarHBondContact OD1-CD 3.26Å; P692-C694 VanDerWaalsContact C-N 3.28Å; P692-C694 PolarHBondContact O-N 3.12Å; P692-H695 PolarHBondContact O-N 3.13Å; P692-E696 WeakPolarHBondContact O-CB 3.39Å; P692-E696 PolarHBondContact O-N 2.57Å
693	Q	96.9	Very high	94.6	Very high	45 Å²	45	46.5 Å²	46.5	21%	0.21	23%	0.234	C	C	.	.	H	α-helix	trans	-63.2	-34.9	176.4	-71.5	176.6	19.7	0	0	112.2	V688 D690 A691 H697	V688-Q693 HydrophobicContact CB-CB 4.22Å; V688-Q693 HydrophobicContact CG1-CB 4.2Å; D690-Q693 PolarHBondContact O-N 3.04Å; D690-Q693 WeakPolarHBondContact OD1-CB 3.41Å; D690-Q693 VanDerWaalsContact OD1-CG 3.22Å; D690-Q693 WeakPolarHBondContact OD1-CG 3.13Å; D690-Q693 PolarHBondContact OD1-N 2.72Å; A691-Q693 VanDerWaalsContact C-N 3.32Å; A691-Q693 PolarHBondContact O-N 2.82Å; Q693-H697 VanDerWaalsContact O-CB 3.28Å; Q693-H697 WeakPolarHBondContact O-CB 3.4Å; Q693-H697 PolarHBondContact O-N 3.41Å
694	C	96.9	Very high	94.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	24%	0.244	C	C	.	.	H	α-helix	trans	-62.6	-49.8	175.4	-59.7	0	0	0	0	111.5	V661 V665 M674 V688 D690 A691 P692 H697 F698	V661-C694 HydrophobicContact CG1-CB 3.69Å; V665-C694 HydrophobicContact CG1-CB 4.09Å; M674-C694 VanDerWaalsContact SD-CA 3.53Å; M674-C694 HydrophobicContact SD-CB 3.8Å; V688-C694 VanDerWaalsContact CG2-SG 3.52Å; D690-C694 PolarHBondContact O-N 3.33Å; D690-C694 PolarHBondContact O-SG 3.04Å; A691-C694 VanDerWaalsContact O-CB 3.31Å; A691-C694 WeakPolarHBondContact O-CB 3.26Å; A691-C694 PolarHBondContact O-N 2.88Å; P692-C694 VanDerWaalsContact C-N 3.28Å; P692-C694 PolarHBondContact O-N 3.12Å; C694-H697 PolarHBondContact O-N 3.15Å; C694-F698 WeakPolarHBondContact O-CB 3.25Å; C694-F698 PolarHBondContact O-N 2.81Å
695	H	96.9	Very high	94.5	Very high	51 Å²	51	48.3 Å²	48.3	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-46.7	178.5	-75.2	-71.6	0	0	0	112.1	E658 A691 P692 H697 F698 S699	E658-H695 IonicContact OE2-CE1 3.19Å; E658-H695 IonicContact OE2-CG 3.08Å; E658-H695 IonicContact OE2-ND1 2.72Å; E658-H695 PolarHBondContact OE2-ND1 3.16Å; A691-H695 PolarHBondContact O-CD2 2.77Å; A691-H695 PolarHBondContact O-N 3.25Å; A691-H695 VanDerWaalsContact O-N 3.08Å; P692-H695 PolarHBondContact O-N 3.13Å; H695-H697 VanDerWaalsContact C-N 3.29Å; H695-H697 PolarHBondContact O-N 2.85Å; H695-F698 PolarHBondContact O-N 2.93Å; H695-S699 VanDerWaalsContact O-CB 3.3Å; H695-S699 WeakPolarHBondContact O-CB 3.5Å; H695-S699 PolarHBondContact O-N 2.89Å
696	E	96.4	Very high	94.1	Very high	106 Å²	106	52.3 Å²	52.3	50%	0.495	26%	0.26	S	S	.	.	H	α-helix	trans	-56.7	-46.8	178.1	-175.1	-157.3	123.6	0	0	111	R686 P692 R700	R686-E696 IonicContact CZ-OE1 2.81Å; R686-E696 IonicContact NH1-OE1 3.4Å; R686-E696 PolarHBondContact NH1-OE1 3.26Å; R686-E696 VanDerWaalsContact NH1-OE1 3.08Å; R686-E696 IonicContact NH2-OE1 3.06Å; P692-E696 WeakPolarHBondContact O-CB 3.39Å; P692-E696 PolarHBondContact O-N 2.57Å; E696-R700 WeakPolarHBondContact O-CB 3.22Å; E696-R700 PolarHBondContact O-N 3.13Å
697	H	95.5	Very high	93.6	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-69.5	-43.6	-177.5	-174.1	51.3	0	0	0	112.5	M674 G684 R686 Q693 C694 H695 R700 I701	M674-H697 HydrophobicContact SD-CB 4.4Å; G684-H697 PolarHBondContact O-NE2 2.85Å; R686-H697 VanDerWaalsContact CB-NE2 3.35Å; R686-H697 WeakPolarHBondContact CB-NE2 3.36Å; R686-H697 WeakPolarHBondContact CD-ND1 3.45Å; Q693-H697 VanDerWaalsContact O-CB 3.28Å; Q693-H697 WeakPolarHBondContact O-CB 3.4Å; Q693-H697 PolarHBondContact O-N 3.41Å; C694-H697 PolarHBondContact O-N 3.15Å; H695-H697 VanDerWaalsContact C-N 3.29Å; H695-H697 PolarHBondContact O-N 2.85Å; H697-R700 PolarHBondContact CE1-NH2 2.87Å; H697-R700 PolarHBondContact ND1-NH2 2.79Å; H697-R700 PolarHBondContact O-N 3.48Å; H697-I701 WeakPolarHBondContact O-CG1 3.4Å; H697-I701 PolarHBondContact O-N 3.26Å
698	F	96.1	Very high	93	Very high	10 Å²	10	52.1 Å²	52.1	4%	0.044	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-49.3	176.2	-174.7	-96	0	0	0	111.6	L655 E658 V661 M674 C694 H695 R700 I701 T702 M722	L655-F698 HydrophobicContact CB-CD2 4.14Å; L655-F698 HydrophobicContact CB-CE2 3.79Å; L655-F698 HydrophobicContact CD1-CD2 4.34Å; E658-F698 HydrophobicContact CG-CD1 4.33Å; E658-F698 HydrophobicContact CG-CE1 4.41Å; V661-F698 HydrophobicContact CG2-CB 3.89Å; V661-F698 HydrophobicContact CG2-CD1 3.97Å; V661-F698 HydrophobicContact CG2-CD2 3.94Å; V661-F698 HydrophobicContact CG2-CG 3.64Å; M674-F698 HydrophobicContact CE-CB 3.81Å; M674-F698 HydrophobicContact CE-CD2 4.2Å; C694-F698 WeakPolarHBondContact O-CB 3.25Å; C694-F698 PolarHBondContact O-N 2.81Å; H695-F698 PolarHBondContact O-N 2.93Å; F698-R700 PolarHBondContact O-N 3.34Å; F698-I701 PolarHBondContact O-N 3.04Å; F698-T702 VanDerWaalsContact O-CB 3.24Å; F698-T702 WeakPolarHBondContact O-CB 3.34Å; F698-T702 PolarHBondContact O-N 3.08Å; F698-T702 PolarHBondContact O-OG1 2.95Å; F698-M722 HydrophobicContact CD2-CB 4.41Å; F698-M722 HydrophobicContact CD2-CG 4.44Å; F698-M722 HydrophobicContact CD2-SD 3.81Å; F698-M722 HydrophobicContact CE2-CB 4.43Å; F698-M722 HydrophobicContact CE2-SD 4.42Å
699	S	95.3	Very high	92.4	Very high	51 Å²	51	56.9 Å²	56.9	36%	0.357	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-32.9	176.2	-92.7	0	0	0	0	113	E658 H695 R703	E658-S699 PolarHBondContact OE1-OG 2.79Å; H695-S699 VanDerWaalsContact O-CB 3.3Å; H695-S699 WeakPolarHBondContact O-CB 3.5Å; H695-S699 PolarHBondContact O-N 2.89Å; S699-R703 PolarHBondContact O-N 2.93Å
700	R	93.1	Very high	91.7	Very high	69 Å²	69	54.7 Å²	54.7	26%	0.26	30%	0.297	S	S	.	.	H	α-helix	trans	-71.8	-53.7	176.7	-176.3	179.6	71.2	-160.8	5.2	111.7	E696 H697 F698 T702 R703 D704	E696-R700 WeakPolarHBondContact O-CB 3.22Å; E696-R700 PolarHBondContact O-N 3.13Å; H697-R700 PolarHBondContact CE1-NH2 2.87Å; H697-R700 PolarHBondContact ND1-NH2 2.79Å; H697-R700 PolarHBondContact O-N 3.48Å; F698-R700 PolarHBondContact O-N 3.34Å; R700-T702 VanDerWaalsContact C-N 3.29Å; R700-T702 PolarHBondContact O-N 3.41Å; R700-R703 WeakPolarHBondContact O-CA 3.42Å; R700-R703 WeakPolarHBondContact O-CB 3.49Å; R700-R703 PolarHBondContact O-N 3.4Å; R700-D704 WeakPolarHBondContact CG-OD2 3.34Å; R700-D704 VanDerWaalsContact O-CG 3.28Å; R700-D704 PolarHBondContact O-N 3.47Å
701	I	92.4	Very high	91	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.8	-41.3	179.7	-63.2	-57.4	0	0	0	111.1	L676 H697 F698 R703 D704 L705 M722 Y905	L676-I701 HydrophobicContact CD2-CG2 3.8Å; H697-I701 WeakPolarHBondContact O-CG1 3.4Å; H697-I701 PolarHBondContact O-N 3.26Å; F698-I701 PolarHBondContact O-N 3.04Å; I701-R703 PolarHBondContact O-N 3.49Å; I701-R703 VanDerWaalsContact O-N 3.07Å; I701-D704 PolarHBondContact O-N 3.03Å; I701-L705 HydrophobicContact CD1-CD1 4.19Å; I701-L705 HydrophobicContact CG2-CB 4.47Å; I701-L705 HydrophobicContact CG2-CD1 4.36Å; I701-L705 PolarHBondContact O-N 2.98Å; I701-M722 HydrophobicContact CB-CE 4.28Å; I701-M722 HydrophobicContact CB-SD 3.74Å; I701-M722 HydrophobicContact CG1-CE 3.91Å; I701-M722 HydrophobicContact CG1-SD 4.03Å; I701-M722 HydrophobicContact CG2-CE 4.37Å; I701-M722 HydrophobicContact CG2-CG 4.31Å; I701-M722 HydrophobicContact CG2-SD 3.77Å; I701-Y905 HydrophobicContact CD1-CE1 3.77Å
702	T	90.5	Very high	90.2	Very high	55 Å²	55	56.2 Å²	56.2	34%	0.337	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-7	174.9	-52.6	0	0	0	0	113.2	F698 R700 Q706	F698-T702 VanDerWaalsContact O-CB 3.24Å; F698-T702 WeakPolarHBondContact O-CB 3.34Å; F698-T702 PolarHBondContact O-N 3.08Å; F698-T702 PolarHBondContact O-OG1 2.95Å; R700-T702 VanDerWaalsContact C-N 3.29Å; R700-T702 PolarHBondContact O-N 3.41Å; T702-Q706 VanDerWaalsContact C-NE2 3.29Å; T702-Q706 PolarHBondContact O-NE2 2.62Å
703	R	90.5	Very high	89.3	Confident	170 Å²	170	52.6 Å²	52.6	64%	0.642	28%	0.284	S	S	*	.	H	α-helix	trans	-103	-46.8	172.2	-172.7	-169.8	-53.2	140.9	9.1	111	S699 R700 I701 Q706	S699-R703 PolarHBondContact O-N 2.93Å; R700-R703 WeakPolarHBondContact O-CA 3.42Å; R700-R703 WeakPolarHBondContact O-CB 3.49Å; R700-R703 PolarHBondContact O-N 3.4Å; I701-R703 PolarHBondContact O-N 3.49Å; I701-R703 VanDerWaalsContact O-N 3.07Å; R703-Q706 VanDerWaalsContact C-NE2 3.31Å; R703-Q706 PolarHBondContact O-NE2 3.43Å
704	D	89.6	Confident	88.6	Confident	47 Å²	47	50.5 Å²	50.5	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-86.7	-27.2	-165.4	-55.3	-15.6	0	0	0	113.2	R700 I701 Y905	R700-D704 WeakPolarHBondContact CG-OD2 3.34Å; R700-D704 VanDerWaalsContact O-CG 3.28Å; R700-D704 PolarHBondContact O-N 3.47Å; I701-D704 PolarHBondContact O-N 3.03Å; D704-Y905 HydrophobicContact CB-CE2 4.07Å; D704-Y905 WeakPolarHBondContact CB-OH 3.38Å; D704-Y905 PolarHBondContact OD2-OH 2.86Å
705	L	88.4	Confident	88.1	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.016	28%	0.275	C	S	.	.			trans	-122.9	89.2	-176.6	-58.8	-179.3	0	0	0	109.8	L676 V683 I701 D710 H711 L716 N720 Y905	L676-L705 HydrophobicContact CD1-CD1 4.13Å; V683-L705 HydrophobicContact CG1-CD1 3.94Å; I701-L705 HydrophobicContact CD1-CD1 4.19Å; I701-L705 HydrophobicContact CG2-CB 4.47Å; I701-L705 HydrophobicContact CG2-CD1 4.36Å; I701-L705 PolarHBondContact O-N 2.98Å; L705-D710 HydrophobicContact CD2-CB 4.41Å; L705-H711 HydrophobicContact CD2-CB 4.33Å; L705-L716 HydrophobicContact CB-CD1 4.01Å; L705-L716 HydrophobicContact CB-CD2 3.97Å; L705-L716 HydrophobicContact CD2-CD1 4.14Å; L705-N720 WeakPolarHBondContact O-CB 3.47Å; L705-N720 PolarHBondContact O-ND2 3.01Å; L705-Y905 HydrophobicContact CD1-CE1 4.25Å; L705-Y905 HydrophobicContact CD1-CE2 4.31Å; L705-Y905 HydrophobicContact CD2-CD2 3.88Å; L705-Y905 HydrophobicContact CD2-CE2 3.76Å; L705-Y905 HydrophobicContact CG-CD2 4.48Å; L705-Y905 HydrophobicContact CG-CE2 4.01Å
706	Q	85.3	Confident	87.5	Confident	109 Å²	109	48.3 Å²	48.3	51%	0.509	27%	0.265	S	S	.	.			trans	-94.1	-31.7	-179.6	-59.4	-57.3	-42.1	0	0	113.2	T702 R703 D710	T702-Q706 VanDerWaalsContact C-NE2 3.29Å; T702-Q706 PolarHBondContact O-NE2 2.62Å; R703-Q706 VanDerWaalsContact C-NE2 3.31Å; R703-Q706 PolarHBondContact O-NE2 3.43Å; Q706-D710 WeakPolarHBondContact CA-OD2 3.42Å; Q706-D710 WeakPolarHBondContact CB-OD2 3.48Å; Q706-D710 PolarHBondContact N-OD2 2.99Å
707	G	84.8	Confident	87	Confident	20 Å²	20	44.1 Å²	44.1	21%	0.206	25%	0.249	C	C	.	.	S	Bend	trans	-170.7	-177.8	-175.8	0	0	0	0	0	113.8	A709 D710 L716	G707-A709 PolarHBondContact O-N 3.12Å; G707-D710 PolarHBondContact N-OD2 3.35Å; G707-D710 WeakPolarHBondContact O-CB 3.4Å; G707-D710 PolarHBondContact O-N 3.15Å; G707-L716 VanDerWaalsContact C-CB 3.47Å; G707-L716 WeakPolarHBondContact O-CD1 3.43Å
708	E	82.6	Confident	86.7	Confident	41 Å²	41	45.7 Å²	45.7	19%	0.192	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.3	-172.3	-161.9	63.7	-163.5	0	0	114.4	D710 H711 P712 G713 L716 G717	E708-D710 VanDerWaalsContact C-N 3.3Å; E708-D710 PolarHBondContact O-N 3.01Å; E708-H711 CarbonylContact O-C 3.57Å; E708-P712 WeakPolarHBondContact O-CA 3.35Å; E708-P712 WeakPolarHBondContact O-CG 3.42Å; E708-P712 VanDerWaalsContact O-N 3.16Å; E708-P712 WeakPolarHBondContact OE1-CA 3.32Å; E708-G713 PolarHBondContact OE1-N 3.41Å; E708-L716 PolarHBondContact OE2-N 2.61Å; E708-G717 PolarHBondContact OE2-N 3.14Å
709	A	83.8	Confident	86.3	Confident	99 Å²	99	46.2 Å²	46.2	82%	0.818	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23	178.5	0	0	0	0	0	113.8	G707	G707-A709 PolarHBondContact O-N 3.12Å
710	D	83.3	Confident	86	Confident	83 Å²	83	45.6 Å²	45.6	44%	0.444	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-37.1	-179.4	-57.5	-45	0	0	0	110.9	L705 Q706 G707 E708	L705-D710 HydrophobicContact CD2-CB 4.41Å; Q706-D710 WeakPolarHBondContact CA-OD2 3.42Å; Q706-D710 WeakPolarHBondContact CB-OD2 3.48Å; Q706-D710 PolarHBondContact N-OD2 2.99Å; G707-D710 PolarHBondContact N-OD2 3.35Å; G707-D710 WeakPolarHBondContact O-CB 3.4Å; G707-D710 PolarHBondContact O-N 3.15Å; E708-D710 VanDerWaalsContact C-N 3.3Å; E708-D710 PolarHBondContact O-N 3.01Å
711	H	80.9	Confident	86	Confident	34 Å²	34	43.2 Å²	43.2	16%	0.157	25%	0.251	C	S	.	.	S	Bend	trans	-154.1	97.4	176	-153.9	-51.8	0	0	0	109.6	L705 E708 I714 L716 E907	L705-H711 HydrophobicContact CD2-CB 4.33Å; E708-H711 CarbonylContact O-C 3.57Å; H711-I714 HydrophobicContact CB-CD1 3.6Å; H711-I714 HydrophobicContact CB-CG1 3.85Å; H711-I714 VanDerWaalsContact O-CG1 3.27Å; H711-I714 WeakPolarHBondContact O-CG1 3.41Å; H711-L716 HydrophobicContact CB-CD1 3.98Å; H711-E907 IonicContact CE1-OE2 3.85Å; H711-E907 PolarHBondContact CE1-OE2 3.46Å; H711-E907 IonicContact ND1-OE2 2.99Å; H711-E907 IonicContact NE2-OE2 3.61Å
712	P	78.7	Confident	86.2	Confident	93 Å²	93	43.2 Å²	43.2	60%	0.604	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	143.8	-178.6	-21.7	32.9	0	0	0	112.2	E708 I714	E708-P712 WeakPolarHBondContact O-CA 3.35Å; E708-P712 WeakPolarHBondContact O-CG 3.42Å; E708-P712 VanDerWaalsContact O-N 3.16Å; E708-P712 WeakPolarHBondContact OE1-CA 3.32Å; P712-I714 PolarHBondContact O-N 3.48Å
713	G	77.1	Confident	86.6	Confident	17 Å²	17	40.6 Å²	40.6	18%	0.175	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	5.6	168.4	0	0	0	0	0	116.6	W597 E708	W597-G713 VanDerWaalsContact CZ2-CA 3.41Å; E708-G713 PolarHBondContact OE1-N 3.41Å
714	I	82.9	Confident	86.9	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-107.3	17.8	179.2	65	152.7	0	0	0	112.6	L676 G679 A680 V683 H711 P712 L716	L676-I714 HydrophobicContact CD1-CD1 4.5Å; G679-I714 WeakPolarHBondContact CA-O 3.27Å; A680-I714 PolarHBondContact N-O 3.16Å; V683-I714 HydrophobicContact CB-CD1 3.72Å; V683-I714 HydrophobicContact CG1-CD1 3.36Å; V683-I714 HydrophobicContact CG2-CD1 4.19Å; V683-I714 HydrophobicContact CG2-CG2 4.12Å; H711-I714 HydrophobicContact CB-CD1 3.6Å; H711-I714 HydrophobicContact CB-CG1 3.85Å; H711-I714 VanDerWaalsContact O-CG1 3.27Å; H711-I714 WeakPolarHBondContact O-CG1 3.41Å; P712-I714 PolarHBondContact O-N 3.48Å; I714-L716 HydrophobicContact CD1-CD1 3.93Å; I714-L716 HydrophobicContact CD1-CG 4.01Å; I714-L716 HydrophobicContact CG1-CD1 4.16Å; I714-L716 HydrophobicContact CG1-CG 4.02Å
715	G	85.2	Confident	87.2	Confident	2 Å²	2	30.6 Å²	30.6	2%	0.021	19%	0.194	C	C	.	.	S	Bend	trans	82.4	14.9	175.7	0	0	0	0	0	116.4	D599 G717 W718	D599-G715 WeakPolarHBondContact OD1-CA 2.98Å; D599-G715 WeakPolarHBondContact OD2-CA 3.17Å; D599-G715 PolarHBondContact OD2-N 3.25Å; G715-G717 VanDerWaalsContact C-N 3.26Å; G715-G717 PolarHBondContact O-N 3.46Å; G715-W718 WeakPolarHBondContact O-CB 3.45Å; G715-W718 PolarHBondContact O-N 3.36Å; G715-W718 VanDerWaalsContact O-N 3.15Å
716	L	85.8	Confident	87.5	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.021	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-70.7	-20.1	176.9	-71.4	175.6	0	0	0	113.3	L676 L705 G707 E708 H711 I714 W718 G719 N720	L676-L716 HydrophobicContact CD1-CD2 4.19Å; L705-L716 HydrophobicContact CB-CD1 4.01Å; L705-L716 HydrophobicContact CB-CD2 3.97Å; L705-L716 HydrophobicContact CD2-CD1 4.14Å; G707-L716 VanDerWaalsContact C-CB 3.47Å; G707-L716 WeakPolarHBondContact O-CD1 3.43Å; E708-L716 PolarHBondContact OE2-N 2.61Å; H711-L716 HydrophobicContact CB-CD1 3.98Å; I714-L716 HydrophobicContact CD1-CD1 3.93Å; I714-L716 HydrophobicContact CD1-CG 4.01Å; I714-L716 HydrophobicContact CG1-CD1 4.16Å; I714-L716 HydrophobicContact CG1-CG 4.02Å; L716-W718 PolarHBondContact O-N 2.61Å; L716-W718 VanDerWaalsContact O-N 3.17Å; L716-G719 WeakPolarHBondContact O-CA 3.42Å; L716-G719 PolarHBondContact O-N 3.44Å; L716-N720 HydrophobicContact CD2-CB 4.11Å
717	G	86.2	Confident	88	Confident	17 Å²	17	31 Å²	31	18%	0.175	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-59	-20.2	168.1	0	0	0	0	0	113.9	T567 H569 E708 G715	T567-G717 WeakPolarHBondContact O-CA 3.41Å; H569-G717 VanDerWaalsContact CD2-C 3.49Å; E708-G717 PolarHBondContact OE2-N 3.14Å; G715-G717 VanDerWaalsContact C-N 3.26Å; G715-G717 PolarHBondContact O-N 3.46Å
718	W	88.9	Confident	88.5	Confident	35 Å²	35	30.4 Å²	30.4	13%	0.133	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-85	-13.6	172.8	-68.5	82.7	0	0	0	112.9	H569 D572 D599 V602 F678 G715 L716	H569-W718 HydrophobicContact CB-CD2 3.58Å; H569-W718 HydrophobicContact CB-CE3 3.82Å; H569-W718 HydrophobicContact CB-CG 4.07Å; H569-W718 HydrophobicContact CB-CH2 3.86Å; H569-W718 HydrophobicContact CB-CZ2 3.68Å; H569-W718 HydrophobicContact CB-CZ3 3.97Å; H569-W718 AromaticContact CD2-CD1 3.19Å; H569-W718 AromaticContact CD2-CD2 3.95Å; H569-W718 AromaticContact CD2-CE2 3.54Å; H569-W718 AromaticContact CD2-CG 3.72Å; H569-W718 AromaticContact CD2-NE1 3.04Å; H569-W718 PolarHBondContact CD2-NE1 3.4Å; H569-W718 AromaticContact CE1-NE1 3.69Å; H569-W718 AromaticContact CG-CD1 3.79Å; H569-W718 AromaticContact CG-CD2 3.78Å; H569-W718 AromaticContact CG-CE2 3.28Å; H569-W718 AromaticContact CG-CZ2 3.56Å; H569-W718 AromaticContact CG-NE1 3.32Å; H569-W718 VanDerWaalsContact CG-NE1 3.32Å; H569-W718 AromaticContact ND1-CE2 3.71Å; H569-W718 AromaticContact ND1-CZ2 3.6Å; H569-W718 AromaticContact ND1-NE1 3.71Å; H569-W718 AromaticContact NE2-CD1 3.7Å; H569-W718 AromaticContact NE2-NE1 3.28Å; H569-W718 PolarHBondContact NE2-NE1 2.82Å; D572-W718 VanDerWaalsContact OD2-CH2 3.27Å; D572-W718 WeakPolarHBondContact OD2-CH2 3.42Å; D599-W718 PolarHBondContact O-NE1 3.05Å; V602-W718 HydrophobicContact CB-CH2 3.5Å; V602-W718 VanDerWaalsContact CB-CH2 3.5Å; V602-W718 HydrophobicContact CB-CZ2 3.81Å; V602-W718 HydrophobicContact CG1-CH2 3.76Å; V602-W718 HydrophobicContact CG2-CH2 3.61Å; V602-W718 HydrophobicContact CG2-CZ2 3.9Å; V602-W718 HydrophobicContact CG2-CZ3 4.49Å; F678-W718 HydrophobicContact CB-CB 3.73Å; F678-W718 HydrophobicContact CB-CG 4.13Å; F678-W718 HydrophobicContact CD1-CB 3.98Å; F678-W718 HydrophobicContact CD1-CD2 4.28Å; F678-W718 HydrophobicContact CD1-CE3 4.36Å; F678-W718 HydrophobicContact CD1-CG 4.12Å; F678-W718 HydrophobicContact CD2-CB 3.4Å; F678-W718 VanDerWaalsContact CD2-CB 3.4Å; F678-W718 HydrophobicContact CD2-CG 4.37Å; F678-W718 HydrophobicContact CE1-CB 4.42Å; F678-W718 HydrophobicContact CE1-CD2 4.44Å; F678-W718 HydrophobicContact CE1-CE3 4.06Å; F678-W718 HydrophobicContact CE2-CB 3.93Å; F678-W718 HydrophobicContact CG-CB 3.41Å; F678-W718 VanDerWaalsContact CG-CB 3.41Å; F678-W718 AromaticContact CG-CG 3.95Å; F678-W718 HydrophobicContact CG-CG 3.95Å; F678-W718 HydrophobicContact CZ-CB 4.39Å; F678-W718 HydrophobicContact CZ-CE3 4.36Å; G715-W718 WeakPolarHBondContact O-CB 3.45Å; G715-W718 PolarHBondContact O-N 3.36Å; G715-W718 VanDerWaalsContact O-N 3.15Å; L716-W718 PolarHBondContact O-N 2.61Å; L716-W718 VanDerWaalsContact O-N 3.17Å
719	G	87.4	Confident	89	Confident	20 Å²	20	36 Å²	36	21%	0.206	21%	0.213	C	C	.	.			trans	108.3	166.1	-172.8	0	0	0	0	0	112.7	L716	L716-G719 WeakPolarHBondContact O-CA 3.42Å; L716-G719 PolarHBondContact O-N 3.44Å
720	N	89.7	Confident	89.5	Confident	39 Å²	39	32.9 Å²	32.9	21%	0.209	19%	0.191	C	C	.	.			trans	-97.1	20.6	-177.4	65.7	-10.3	0	0	0	113.9	L676 L705 L716	L676-N720 HydrophobicContact CD2-CB 4.36Å; L705-N720 WeakPolarHBondContact O-CB 3.47Å; L705-N720 PolarHBondContact O-ND2 3.01Å; L716-N720 HydrophobicContact CD2-CB 4.11Å
721	A	93.1	Very high	90	Very high	18 Å²	18	32.3 Å²	32.3	15%	0.149	19%	0.191	C	C	.	.			trans	-56.9	144	175.7	0	0	0	0	0	110.5	E656 E677	E656-A721 HydrophobicContact CG-CB 4.3Å; E677-A721 HydrophobicContact CB-CB 4.42Å; E677-A721 WeakPolarHBondContact CB-O 3.42Å; E677-A721 HydrophobicContact CG-CB 4.03Å; E677-A721 WeakPolarHBondContact CG-O 3.47Å; E677-A721 PolarHBondContact N-O 3.46Å
722	M	96.2	Very high	90.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	171.5	-176.5	-63.6	-173.3	79.2	0	0	111.3	L655 M674 K675 L676 F698 I701	L655-M722 HydrophobicContact CB-CB 4.13Å; L655-M722 HydrophobicContact CD1-CB 4.29Å; L655-M722 PolarHBondContact N-O 3.3Å; L655-M722 PolarHBondContact O-N 3.09Å; M674-M722 HydrophobicContact CB-CE 4.1Å; M674-M722 HydrophobicContact CE-CE 4.04Å; M674-M722 HydrophobicContact CE-SD 4.19Å; K675-M722 CarbonylContact O-C 3.46Å; K675-M722 VanDerWaalsContact O-CA 3.27Å; K675-M722 WeakPolarHBondContact O-CA 3.14Å; L676-M722 HydrophobicContact CD2-CG 4.14Å; F698-M722 HydrophobicContact CD2-CB 4.41Å; F698-M722 HydrophobicContact CD2-CG 4.44Å; F698-M722 HydrophobicContact CD2-SD 3.81Å; F698-M722 HydrophobicContact CE2-CB 4.43Å; F698-M722 HydrophobicContact CE2-SD 4.42Å; I701-M722 HydrophobicContact CB-CE 4.28Å; I701-M722 HydrophobicContact CB-SD 3.74Å; I701-M722 HydrophobicContact CG1-CE 3.91Å; I701-M722 HydrophobicContact CG1-SD 4.03Å; I701-M722 HydrophobicContact CG2-CE 4.37Å; I701-M722 HydrophobicContact CG2-CG 4.31Å; I701-M722 HydrophobicContact CG2-SD 3.77Å
723	L	97.3	Very high	91.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154	163.1	67.3	148.3	0	0	0	111	K627 C652 C653 M674 K675 E677 M725	K627-L723 HydrophobicContact CB-CD1 4.25Å; K627-L723 HydrophobicContact CB-CD2 3.77Å; K627-L723 HydrophobicContact CD-CD2 4.27Å; C652-L723 HydrophobicContact CB-CD1 4.1Å; C653-L723 CarbonylContact O-C 3.49Å; C653-L723 VanDerWaalsContact O-CA 3.25Å; C653-L723 WeakPolarHBondContact O-CA 3.37Å; C653-L723 WeakPolarHBondContact O-CB 3.45Å; M674-L723 VanDerWaalsContact CA-O 3.28Å; M674-L723 WeakPolarHBondContact CA-O 3.36Å; K675-L723 HydrophobicContact CG-CD2 3.75Å; K675-L723 HydrophobicContact CG-CG 4.09Å; K675-L723 PolarHBondContact N-O 3.33Å; K675-L723 VanDerWaalsContact N-O 3.11Å; K675-L723 WeakPolarHBondContact O-CD2 3.25Å; K675-L723 PolarHBondContact O-N 2.94Å; E677-L723 HydrophobicContact CG-CD2 4.24Å; L723-M725 HydrophobicContact CD1-CB 4.08Å
724	L	98.1	Very high	92.6	Very high	2 Å²	2	27 Å²	27	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.3	160.7	179.4	65	0	0	0	108.4	C652 C653 L655 A664 V665 V668 L670 M674 V688	C652-L724 CarbonylContact C-O 3.54Å; C652-L724 WeakPolarHBondContact CA-O 3.47Å; C652-L724 WeakPolarHBondContact CB-O 3.48Å; C653-L724 PolarHBondContact N-O 2.95Å; C653-L724 PolarHBondContact O-N 2.95Å; L655-L724 HydrophobicContact CD1-CB 4.1Å; A664-L724 HydrophobicContact CB-CB 4.24Å; A664-L724 HydrophobicContact CB-CD2 3.85Å; V665-L724 HydrophobicContact CG1-CD2 4.45Å; V668-L724 HydrophobicContact CB-CD2 3.97Å; V668-L724 HydrophobicContact CB-CG 4.11Å; V668-L724 HydrophobicContact CG1-CD2 4.48Å; V668-L724 HydrophobicContact CG1-CG 4.16Å; V668-L724 HydrophobicContact CG2-CD2 4.4Å; V668-L724 HydrophobicContact CG2-CG 4.35Å; L670-L724 HydrophobicContact CD2-CD1 4.46Å; M674-L724 HydrophobicContact CG-CB 4.48Å; M674-L724 HydrophobicContact CG-CD1 3.68Å; V688-L724 HydrophobicContact CG2-CD1 3.79Å
725	M	96.7	Very high	93.3	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.3	180	-171.1	176.7	75.2	0	0	110.3	V650 C652 G672 V673 L723 F727 I811	V650-M725 HydrophobicContact CG2-CG 3.61Å; V650-M725 HydrophobicContact CG2-SD 3.82Å; C652-M725 HydrophobicContact CB-CB 4.15Å; C652-M725 HydrophobicContact CB-CG 4.14Å; G672-M725 CarbonylContact C-O 3.57Å; G672-M725 WeakPolarHBondContact CA-O 3.44Å; V673-M725 PolarHBondContact N-O 3.44Å; V673-M725 PolarHBondContact O-N 3.26Å; L723-M725 HydrophobicContact CD1-CB 4.08Å; M725-F727 PolarHBondContact O-N 3.42Å; M725-I811 HydrophobicContact CE-CD1 4.34Å
726	E	94.6	Very high	93.9	Very high	67 Å²	67	26.9 Å²	26.9	31%	0.313	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	135.1	169.4	-177	-179	147.5	0	0	110.5	V650 P651 V668 V728	V650-E726 HydrophobicContact CB-CB 4.37Å; P651-E726 VanDerWaalsContact CD-OE2 3.22Å; P651-E726 WeakPolarHBondContact CD-OE2 3.18Å; P651-E726 PolarHBondContact O-N 3.21Å; P651-E726 VanDerWaalsContact O-N 3.11Å; V668-E726 HydrophobicContact CG1-CB 4.36Å; E726-V728 PolarHBondContact O-N 3.12Å
727	F	95.5	Very high	94.4	Very high	55 Å²	55	26.7 Å²	26.7	24%	0.241	15%	0.152	C	C	.	.			trans	-71.3	116.5	172	174.5	-112	0	0	0	110.2	P671 V673 L687 M725 E729 F760	P671-F727 HydrophobicContact CG-CB 4.42Å; P671-F727 HydrophobicContact CG-CD1 4.17Å; P671-F727 WeakPolarHBondContact O-CB 3.33Å; V673-F727 HydrophobicContact CG2-CB 4.33Å; V673-F727 HydrophobicContact CG2-CD2 3.81Å; L687-F727 HydrophobicContact CD1-CB 4.36Å; L687-F727 HydrophobicContact CD1-CD2 3.62Å; L687-F727 HydrophobicContact CD1-CE2 4.05Å; L687-F727 HydrophobicContact CD1-CG 3.96Å; M725-F727 PolarHBondContact O-N 3.42Å; F727-E729 HydrophobicContact CE1-CB 4.02Å; F727-E729 HydrophobicContact CE1-CG 4.45Å; F727-F760 HydrophobicContact CD2-CZ 4.09Å; F727-F760 HydrophobicContact CE2-CE1 4.04Å; F727-F760 AromaticContact CE2-CZ 3.81Å; F727-F760 HydrophobicContact CE2-CZ 3.81Å
728	V	94.8	Very high	94.9	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.036	14%	0.143	C	C	.	.			trans	-92.7	111.2	178	-178.2	0	0	0	0	109.3	V650 E726 K802 T804 R809 I811	V650-V728 HydrophobicContact CG1-CG2 3.83Å; V650-V728 HydrophobicContact CG2-CG2 4.39Å; E726-V728 PolarHBondContact O-N 3.12Å; V728-K802 HydrophobicContact CB-CB 4.46Å; V728-K802 HydrophobicContact CB-CD 4.06Å; V728-K802 HydrophobicContact CG1-CB 3.63Å; V728-K802 HydrophobicContact CG1-CD 4.02Å; V728-K802 HydrophobicContact CG1-CG 4.42Å; V728-K802 WeakPolarHBondContact O-CD 3.44Å; V728-T804 HydrophobicContact CG1-CG2 3.5Å; V728-T804 VanDerWaalsContact CG1-CG2 3.5Å; V728-R809 HydrophobicContact CG1-CB 3.7Å; V728-R809 HydrophobicContact CG1-CG 4.12Å; V728-R809 HydrophobicContact CG2-CB 4.36Å; V728-I811 HydrophobicContact CB-CD1 4.33Å; V728-I811 HydrophobicContact CG2-CD1 4.46Å
729	E	92.9	Very high	95.3	Very high	158 Å²	158	24.2 Å²	24.2	74%	0.738	14%	0.137	S	C	*	.			trans	-83.4	123.4	175.3	-170	-179.6	-176.4	0	0	111.1	F727 T804	F727-E729 HydrophobicContact CE1-CB 4.02Å; F727-E729 HydrophobicContact CE1-CG 4.45Å; E729-T804 WeakPolarHBondContact O-CG2 3.48Å
730	G	94.2	Very high	95.6	Very high	34 Å²	34	25.4 Å²	25.4	35%	0.351	14%	0.137	S	C	.	.	S	Bend	trans	165.3	175.7	-179.6	0	0	0	0	0	113.4	L803	G730-L803 VanDerWaalsContact CA-O 3.28Å; G730-L803 WeakPolarHBondContact CA-O 3.47Å
731	T	94.8	Very high	95.8	Very high	72 Å²	72	26 Å²	26	44%	0.442	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	144.4	171.2	51.6	0	0	0	0	110	H733 K802 L803	T731-H733 PolarHBondContact O-CD2 3.01Å; T731-H733 VanDerWaalsContact O-CD2 3.29Å; T731-H733 PolarHBondContact OG1-NE2 2.99Å; T731-K802 CarbonylContact O-C 3.5Å; T731-K802 VanDerWaalsContact O-CA 3.22Å; T731-K802 WeakPolarHBondContact O-CA 3.48Å; T731-L803 PolarHBondContact N-O 3.29Å; T731-L803 PolarHBondContact O-N 2.98Å
732	E	95.9	Very high	95.8	Very high	21 Å²	21	26 Å²	26	10%	0.098	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	142.9	-174.1	-168.4	169	132.8	0	0	110.9	N752 K802	E732-N752 HydrophobicContact CB-CB 4.08Å; E732-N752 HydrophobicContact CG-CB 4.31Å; E732-N752 WeakPolarHBondContact O-CB 3.43Å; E732-N752 PolarHBondContact O-N 2.93Å; E732-K802 HydrophobicContact CB-CG 4.22Å; E732-K802 HydrophobicContact CG-CG 4.36Å; E732-K802 WeakPolarHBondContact OE2-CE 3.25Å; E732-K802 IonicContact OE2-NZ 3.61Å; E732-K802 PolarHBondContact OE2-NZ 3.43Å
733	H	97.3	Very high	95.7	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.019	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	146.4	-173.1	-55.1	-86.3	0	0	0	110.5	T731 V749 S750 D751 M779 L801	T731-H733 PolarHBondContact O-CD2 3.01Å; T731-H733 VanDerWaalsContact O-CD2 3.29Å; T731-H733 PolarHBondContact OG1-NE2 2.99Å; H733-V749 HydrophobicContact CB-CG1 4.35Å; H733-S750 WeakPolarHBondContact CA-O 3.18Å; H733-S750 WeakPolarHBondContact CB-O 3.38Å; H733-D751 IonicContact CE1-OD1 3.89Å; H733-D751 PolarHBondContact CE1-OD1 2.87Å; H733-D751 VanDerWaalsContact CE1-OD1 3.26Å; H733-D751 IonicContact ND1-OD1 3.02Å; H733-D751 PolarHBondContact ND1-OD1 3.49Å; H733-M779 HydrophobicContact CB-CE 3.44Å; H733-M779 VanDerWaalsContact CB-CE 3.44Å; H733-L801 PolarHBondContact N-O 3.28Å; H733-L801 PolarHBondContact O-N 2.84Å
734	D	97.4	Very high	95.5	Very high	6 Å²	6	36 Å²	36	3%	0.032	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140	170.1	-61.2	-63.4	0	0	0	110.3	V749 S750 N752 E800 L822	D734-V749 VanDerWaalsContact O-CA 3.31Å; D734-V749 WeakPolarHBondContact O-CA 3.41Å; D734-S750 WeakPolarHBondContact CB-OG 3.42Å; D734-S750 PolarHBondContact N-O 3.39Å; D734-S750 PolarHBondContact O-N 2.84Å; D734-N752 PolarHBondContact OD2-ND2 3.29Å; D734-N752 PolarHBondContact OD2-OD1 2.88Å; D734-E800 WeakPolarHBondContact OD1-CG 3.45Å; D734-L822 HydrophobicContact CB-CD1 4.21Å
735	V	97.9	Very high	95.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	105.9	172.9	-172.5	0	0	0	0	109.6	L737 F748 V749 M779 V780 A783 V799 L801	V735-L737 HydrophobicContact CG1-CD2 3.57Å; V735-L737 HydrophobicContact CG1-CG 4.08Å; V735-F748 WeakPolarHBondContact CA-O 3.29Å; V735-V749 HydrophobicContact CG1-CG2 4.4Å; V735-V749 HydrophobicContact CG2-CG1 4.38Å; V735-V749 HydrophobicContact CG2-CG2 4.2Å; V735-M779 HydrophobicContact CG2-CB 4.15Å; V735-M779 HydrophobicContact CG2-CE 4.38Å; V735-V780 HydrophobicContact CG1-CG2 4.34Å; V735-A783 HydrophobicContact CB-CB 3.78Å; V735-A783 HydrophobicContact CG1-CB 3.71Å; V735-A783 HydrophobicContact CG2-CB 4.25Å; V735-V799 PolarHBondContact N-O 2.75Å; V735-V799 PolarHBondContact O-N 2.88Å; V735-L801 HydrophobicContact CG2-CD1 3.8Å
736	D	97.7	Very high	95	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	115.6	173.1	-81.4	-99.8	0	0	0	110	A747 F748 F797 N798 G818 I826 L834	D736-A747 CarbonylContact O-C 3.55Å; D736-A747 VanDerWaalsContact O-CA 3.25Å; D736-A747 WeakPolarHBondContact O-CA 3.32Å; D736-F748 HydrophobicContact CB-CB 4.47Å; D736-F748 HydrophobicContact CB-CD2 4.44Å; D736-F748 PolarHBondContact N-O 3.23Å; D736-F748 PolarHBondContact O-N 3.16Å; D736-F797 CarbonylContact C-O 3.52Å; D736-F797 WeakPolarHBondContact CA-O 3.47Å; D736-N798 PolarHBondContact OD2-ND2 3.27Å; D736-N798 VanDerWaalsContact OD2-ND2 3.09Å; D736-G818 WeakPolarHBondContact OD1-CA 3.41Å; D736-G818 PolarHBondContact OD1-N 3.07Å; D736-I826 HydrophobicContact CB-CD1 3.81Å; D736-L834 HydrophobicContact CB-CD1 4.13Å
737	L	96.7	Very high	95.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	144	-177.6	-57.8	179.2	0	0	0	111.5	V735 L739 L744 A747 V780 A783 F784 V796 F797 V799	V735-L737 HydrophobicContact CG1-CD2 3.57Å; V735-L737 HydrophobicContact CG1-CG 4.08Å; L737-L739 HydrophobicContact CB-CD2 4.37Å; L737-L739 HydrophobicContact CB-CG 4.49Å; L737-L744 HydrophobicContact CB-CD1 4.38Å; L737-L744 HydrophobicContact CD2-CD1 3.8Å; L737-A747 HydrophobicContact CD2-CB 3.59Å; L737-V780 HydrophobicContact CD2-CG1 4.43Å; L737-A783 HydrophobicContact CD1-CB 3.75Å; L737-A783 HydrophobicContact CD2-CB 4.4Å; L737-A783 HydrophobicContact CG-CB 4.28Å; L737-F784 HydrophobicContact CD1-CB 4.37Å; L737-V796 CarbonylContact O-C 3.51Å; L737-V796 VanDerWaalsContact O-CA 3.26Å; L737-V796 WeakPolarHBondContact O-CA 3.22Å; L737-F797 HydrophobicContact CB-CB 4.48Å; L737-F797 PolarHBondContact N-O 3Å; L737-F797 PolarHBondContact O-N 3.02Å; L737-V799 HydrophobicContact CD1-CG2 4.34Å
738	V	96.4	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	115	165	-172.8	0	0	0	0	108.8	L745 A746 V796 L834 A837 P847 L849	V738-L745 HydrophobicContact CB-CB 4.33Å; V738-L745 HydrophobicContact CG1-CB 4.3Å; V738-L745 HydrophobicContact CG1-CD1 4.24Å; V738-L745 WeakPolarHBondContact O-CB 3.48Å; V738-L745 PolarHBondContact O-N 3.43Å; V738-A746 HydrophobicContact CB-CB 4.43Å; V738-A746 HydrophobicContact CG2-CB 4.32Å; V738-A746 PolarHBondContact N-O 2.83Å; V738-V796 HydrophobicContact CG1-CG2 4.41Å; V738-V796 HydrophobicContact CG2-CG2 4.22Å; V738-L834 HydrophobicContact CG2-CD2 3.67Å; V738-A837 HydrophobicContact CG1-CB 4.2Å; V738-A837 HydrophobicContact CG2-CB 4.49Å; V738-P847 HydrophobicContact CG1-CG 4.38Å; V738-L849 HydrophobicContact CB-CD1 3.9Å; V738-L849 HydrophobicContact CG1-CD1 3.83Å; V738-L849 HydrophobicContact CG2-CD1 3.76Å
739	L	96	Very high	95.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	141.8	178.8	-50.3	-175.8	0	0	0	111.2	L737 R743 L744 F784 C787 L793 D794 G795 F797	L737-L739 HydrophobicContact CB-CD2 4.37Å; L737-L739 HydrophobicContact CB-CG 4.49Å; L739-R743 WeakPolarHBondContact CA-O 3.44Å; L739-L744 HydrophobicContact CD2-CB 4.14Å; L739-L744 HydrophobicContact CD2-CD1 3.64Å; L739-F784 HydrophobicContact CD1-CD2 4.21Å; L739-F784 HydrophobicContact CD1-CE2 4.4Å; L739-F784 HydrophobicContact CD2-CD2 3.64Å; L739-F784 HydrophobicContact CD2-CE2 3.79Å; L739-C787 HydrophobicContact CD1-CB 3.86Å; L739-L793 CarbonylContact C-O 3.56Å; L739-D794 WeakPolarHBondContact O-CA 3.43Å; L739-G795 PolarHBondContact N-O 2.97Å; L739-G795 PolarHBondContact O-N 2.8Å; L739-F797 HydrophobicContact CB-CD2 4.37Å; L739-F797 HydrophobicContact CB-CE2 4.02Å; L739-F797 HydrophobicContact CD1-CD2 3.88Å; L739-F797 HydrophobicContact CD1-CE2 3.9Å; L739-F797 HydrophobicContact CG-CD2 3.9Å; L739-F797 HydrophobicContact CG-CE2 4.01Å
740	F	94.1	Very high	95.4	Very high	46 Å²	46	24.2 Å²	24.2	20%	0.202	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	125.2	171.4	-171.3	-93.2	0	0	0	110.1	G742 R743 L745 L793 D794 V841 R846	F740-G742 PolarHBondContact O-N 3.06Å; F740-R743 PolarHBondContact N-O 2.91Å; F740-R743 VanDerWaalsContact N-O 3.08Å; F740-R743 WeakPolarHBondContact O-CB 3.32Å; F740-R743 PolarHBondContact O-N 2.86Å; F740-L745 HydrophobicContact CB-CD1 3.66Å; F740-L745 HydrophobicContact CB-CG 4.2Å; F740-L793 CarbonylContact C-O 3.48Å; F740-L793 PolarHBondContact N-O 3.47Å; F740-D794 WeakPolarHBondContact CA-OD1 3.18Å; F740-V841 HydrophobicContact CD2-CG1 4.31Å; F740-V841 HydrophobicContact CD2-CG2 4.12Å; F740-R846 HydrophobicContact CB-CG 4.45Å; F740-R846 HydrophobicContact CD1-CB 3.76Å; F740-R846 HydrophobicContact CD1-CG 3.71Å; F740-R846 HydrophobicContact CD2-CB 4.46Å; F740-R846 HydrophobicContact CE1-CB 3.64Å; F740-R846 HydrophobicContact CE1-CG 4.11Å; F740-R846 HydrophobicContact CE2-CB 4.34Å; F740-R846 HydrophobicContact CG-CB 4.17Å; F740-R846 HydrophobicContact CG-CG 4.05Å; F740-R846 HydrophobicContact CZ-CB 3.94Å
741	G	93.9	Very high	95.5	Very high	52 Å²	52	23.3 Å²	23.3	54%	0.536	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	36.2	-174.6	0	0	0	0	0	112.9	R743 L793 D794	G741-R743 PolarHBondContact O-N 3.14Å; G741-L793 PolarHBondContact N-O 2.97Å; G741-D794 PolarHBondContact N-OD1 2.86Å
742	G	94.1	Very high	95.5	Very high	18 Å²	18	20.6 Å²	20.6	19%	0.186	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	12.1	-177.4	0	0	0	0	0	114.6	F740 F784 L793	F740-G742 PolarHBondContact O-N 3.06Å; G742-F784 WeakPolarHBondContact O-CZ 3.42Å; G742-L793 PolarHBondContact N-O 2.83Å
743	R	93.3	Very high	95.4	Very high	148 Å²	148	19.8 Å²	19.8	56%	0.558	11%	0.113	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.8	177.1	-61.4	175.5	61.8	178.2	1.8	110.5	L739 F740 G741 L745	L739-R743 WeakPolarHBondContact CA-O 3.44Å; F740-R743 PolarHBondContact N-O 2.91Å; F740-R743 VanDerWaalsContact N-O 3.08Å; F740-R743 WeakPolarHBondContact O-CB 3.32Å; F740-R743 PolarHBondContact O-N 2.86Å; G741-R743 PolarHBondContact O-N 3.14Å; R743-L745 PolarHBondContact O-N 3.21Å
744	L	93.8	Very high	95.1	Very high	62 Å²	62	21.1 Å²	21.1	33%	0.325	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	119.5	169.4	-176.3	61.7	0	0	0	110.4	L737 L739 A746 A747 V780 F784	L737-L744 HydrophobicContact CB-CD1 4.38Å; L737-L744 HydrophobicContact CD2-CD1 3.8Å; L739-L744 HydrophobicContact CD2-CB 4.14Å; L739-L744 HydrophobicContact CD2-CD1 3.64Å; L744-A746 VanDerWaalsContact CD1-O 3.28Å; L744-A746 WeakPolarHBondContact CD1-O 3.48Å; L744-A747 HydrophobicContact CD1-CB 4.31Å; L744-V780 HydrophobicContact CD2-CG1 3.64Å; L744-F784 HydrophobicContact CB-CD2 4.21Å; L744-F784 HydrophobicContact CB-CE2 4.1Å; L744-F784 HydrophobicContact CB-CZ 4.3Å
745	L	91.7	Very high	94.8	Very high	17 Å²	17	22 Å²	22	9%	0.089	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-42.9	176	-59.2	-173.5	0	0	0	112	V738 F740 R743 R846 P847	V738-L745 HydrophobicContact CB-CB 4.33Å; V738-L745 HydrophobicContact CG1-CB 4.3Å; V738-L745 HydrophobicContact CG1-CD1 4.24Å; V738-L745 WeakPolarHBondContact O-CB 3.48Å; V738-L745 PolarHBondContact O-N 3.43Å; F740-L745 HydrophobicContact CB-CD1 3.66Å; F740-L745 HydrophobicContact CB-CG 4.2Å; R743-L745 PolarHBondContact O-N 3.21Å; L745-R846 HydrophobicContact CD1-CG 4.14Å; L745-P847 HydrophobicContact CD1-CB 4.38Å; L745-P847 HydrophobicContact CD1-CG 4.35Å
746	A	93.1	Very high	94.4	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.025	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	154.1	177.2	0	0	0	0	0	110.3	V738 L744 F748 L849	V738-A746 HydrophobicContact CB-CB 4.43Å; V738-A746 HydrophobicContact CG2-CB 4.32Å; V738-A746 PolarHBondContact N-O 2.83Å; L744-A746 VanDerWaalsContact CD1-O 3.28Å; L744-A746 WeakPolarHBondContact CD1-O 3.48Å; A746-F748 HydrophobicContact CB-CE2 3.94Å; A746-F748 HydrophobicContact CB-CZ 4.03Å; A746-L849 HydrophobicContact CB-CB 4.25Å; A746-L849 HydrophobicContact CB-CD1 3.81Å
747	A	94.8	Very high	93.9	Very high	23 Å²	23	30.5 Å²	30.5	19%	0.19	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.3	173.7	0	0	0	0	0	109.9	D736 L737 L744 V780	D736-A747 CarbonylContact O-C 3.55Å; D736-A747 VanDerWaalsContact O-CA 3.25Å; D736-A747 WeakPolarHBondContact O-CA 3.32Å; L737-A747 HydrophobicContact CD2-CB 3.59Å; L744-A747 HydrophobicContact CD1-CB 4.31Å; A747-V780 HydrophobicContact CB-CB 4.3Å; A747-V780 HydrophobicContact CB-CG1 3.54Å; A747-V780 HydrophobicContact CB-CG2 3.75Å
748	F	96.1	Very high	93.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.5	177.4	-51.5	-83.9	0	0	0	108.9	V735 D736 A746 I826 Y830 V832 L834 P853	V735-F748 WeakPolarHBondContact CA-O 3.29Å; D736-F748 HydrophobicContact CB-CB 4.47Å; D736-F748 HydrophobicContact CB-CD2 4.44Å; D736-F748 PolarHBondContact N-O 3.23Å; D736-F748 PolarHBondContact O-N 3.16Å; A746-F748 HydrophobicContact CB-CE2 3.94Å; A746-F748 HydrophobicContact CB-CZ 4.03Å; F748-I826 HydrophobicContact CB-CD1 3.7Å; F748-I826 HydrophobicContact CB-CG1 3.91Å; F748-I826 HydrophobicContact CD1-CG1 4.33Å; F748-I826 HydrophobicContact CD1-CG2 3.87Å; F748-I826 HydrophobicContact CD2-CD1 3.87Å; F748-I826 HydrophobicContact CD2-CG1 4.3Å; F748-I826 HydrophobicContact CD2-CG2 3.81Å; F748-I826 HydrophobicContact CE1-CG2 3.8Å; F748-I826 HydrophobicContact CE2-CG2 3.78Å; F748-I826 HydrophobicContact CG-CD1 3.84Å; F748-I826 HydrophobicContact CG-CG1 3.91Å; F748-I826 HydrophobicContact CG-CG2 3.87Å; F748-I826 HydrophobicContact CZ-CG2 3.78Å; F748-Y830 HydrophobicContact CD1-CD1 4.13Å; F748-Y830 AromaticContact CD1-CD2 3.51Å; F748-Y830 HydrophobicContact CD1-CD2 3.51Å; F748-Y830 HydrophobicContact CD1-CE1 4.21Å; F748-Y830 AromaticContact CD1-CE2 3.63Å; F748-Y830 HydrophobicContact CD1-CE2 3.63Å; F748-Y830 AromaticContact CD1-CG 3.76Å; F748-Y830 HydrophobicContact CD1-CG 3.76Å; F748-Y830 AromaticContact CD1-CZ 3.95Å; F748-Y830 HydrophobicContact CE1-CD1 4.06Å; F748-Y830 AromaticContact CE1-CD2 3.79Å; F748-Y830 HydrophobicContact CE1-CD2 3.79Å; F748-Y830 HydrophobicContact CE1-CE2 4.34Å; F748-Y830 AromaticContact CE1-CG 3.61Å; F748-Y830 HydrophobicContact CE1-CG 3.61Å; F748-Y830 HydrophobicContact CG-CE2 4.5Å; F748-V832 HydrophobicContact CE1-CB 4.33Å; F748-V832 HydrophobicContact CE1-CG2 4.33Å; F748-V832 HydrophobicContact CE2-CB 4.45Å; F748-V832 HydrophobicContact CE2-CG1 4.03Å; F748-V832 HydrophobicContact CZ-CB 3.68Å; F748-V832 HydrophobicContact CZ-CG1 3.68Å; F748-V832 HydrophobicContact CZ-CG2 3.83Å; F748-L834 HydrophobicContact CD2-CD2 4.35Å; F748-L834 HydrophobicContact CE2-CD2 3.94Å; F748-P853 HydrophobicContact CD1-CG 4.12Å; F748-P853 HydrophobicContact CE1-CB 3.83Å; F748-P853 HydrophobicContact CE1-CG 3.31Å; F748-P853 HydrophobicContact CZ-CB 4.43Å; F748-P853 HydrophobicContact CZ-CG 3.82Å
749	V	96.6	Very high	93	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.9	179.7	-170.6	0	0	0	0	109.5	H733 D734 V735 T769 E776 V780	H733-V749 HydrophobicContact CB-CG1 4.35Å; D734-V749 VanDerWaalsContact O-CA 3.31Å; D734-V749 WeakPolarHBondContact O-CA 3.41Å; V735-V749 HydrophobicContact CG1-CG2 4.4Å; V735-V749 HydrophobicContact CG2-CG1 4.38Å; V735-V749 HydrophobicContact CG2-CG2 4.2Å; V749-T769 HydrophobicContact CB-CG2 3.74Å; V749-T769 HydrophobicContact CG1-CG2 4Å; V749-T769 PolarHBondContact O-N 3.04Å; V749-T769 VanDerWaalsContact O-N 3.09Å; V749-E776 HydrophobicContact CB-CG 4.41Å; V749-E776 HydrophobicContact CG2-CG 3.89Å; V749-V780 HydrophobicContact CG2-CG2 3.75Å
750	S	96.8	Very high	92.7	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	146.9	168.7	41.6	0	0	0	0	111.3	H733 D734 C766 L822	H733-S750 WeakPolarHBondContact CA-O 3.18Å; H733-S750 WeakPolarHBondContact CB-O 3.38Å; D734-S750 WeakPolarHBondContact CB-OG 3.42Å; D734-S750 PolarHBondContact N-O 3.39Å; D734-S750 PolarHBondContact O-N 2.84Å; S750-C766 WeakPolarHBondContact CA-O 3.43Å; S750-C766 WeakPolarHBondContact CB-O 3.35Å; S750-L822 WeakPolarHBondContact OG-CD2 3.32Å
751	D	97.1	Very high	92.4	Very high	15 Å²	15	35 Å²	35	8%	0.08	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.3	175.5	-56.3	-26.8	0	0	0	109.7	H733 A765 C766 T769 G770 F949	H733-D751 IonicContact CE1-OD1 3.89Å; H733-D751 PolarHBondContact CE1-OD1 2.87Å; H733-D751 VanDerWaalsContact CE1-OD1 3.26Å; H733-D751 IonicContact ND1-OD1 3.02Å; H733-D751 PolarHBondContact ND1-OD1 3.49Å; D751-A765 CarbonylContact O-C 3.5Å; D751-A765 WeakPolarHBondContact O-CA 3.46Å; D751-A765 WeakPolarHBondContact O-CB 3.36Å; D751-C766 HydrophobicContact CB-CB 4.37Å; D751-C766 PolarHBondContact N-O 2.79Å; D751-C766 PolarHBondContact O-N 2.89Å; D751-T769 WeakPolarHBondContact OD1-CA 3.22Å; D751-T769 WeakPolarHBondContact OD1-CB 3.36Å; D751-T769 PolarHBondContact OD1-OG1 3.08Å; D751-G770 PolarHBondContact OD2-N 3.35Å; D751-F949 HydrophobicContact CB-CD1 4.07Å; D751-F949 HydrophobicContact CB-CE1 3.87Å
752	N	95.3	Very high	92.1	Very high	14 Å²	14	34.2 Å²	34.2	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.6	172.8	-64.9	-25.6	0	0	0	110.6	E732 D734	E732-N752 HydrophobicContact CB-CB 4.08Å; E732-N752 HydrophobicContact CG-CB 4.31Å; E732-N752 WeakPolarHBondContact O-CB 3.43Å; E732-N752 PolarHBondContact O-N 2.93Å; D734-N752 PolarHBondContact OD2-ND2 3.29Å; D734-N752 PolarHBondContact OD2-OD1 2.88Å
753	G	93	Very high	92.1	Very high	4 Å²	4	33.4 Å²	33.4	4%	0.041	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-66.9	167.5	172.3	0	0	0	0	0	111.1	T755 A764	G753-T755 PolarHBondContact O-N 2.9Å; G753-A764 PolarHBondContact N-O 2.94Å
754	P	92.1	Very high	92.2	Very high	33 Å²	33	26.4 Å²	26.4	21%	0.214	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-61.9	127.4	177.8	29	-36.2	0	0	0	110.2	T763 F945	P754-T763 WeakPolarHBondContact O-CG2 3.46Å; P754-T763 PolarHBondContact O-OG1 2.72Å; P754-F945 HydrophobicContact CG-CD1 3.98Å
755	T	90.8	Very high	92.3	Very high	24 Å²	24	23.5 Å²	23.5	15%	0.147	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-70.4	152.6	178	57.8	0	0	0	0	111.8	G753 L757 F760 T761	G753-T755 PolarHBondContact O-N 2.9Å; T755-L757 PolarHBondContact O-N 2.9Å; T755-F760 HydrophobicContact CG2-CD1 4.44Å; T755-F760 WeakPolarHBondContact OG1-CD1 3.47Å; T755-T761 WeakPolarHBondContact CA-O 3.48Å
756	R	88.3	Confident	92.6	Very high	77 Å²	77	22.8 Å²	22.8	29%	0.291	13%	0.131	S	C	.	.	B	Isolated β-bridge	trans	-77.9	110.1	174.8	-68.5	179.1	67.6	-137.7	2.3	111.3	G759 F760 T761 T763 L865	R756-G759 CarbonylContact O-C 3.59Å; R756-G759 PolarHBondContact O-N 3.15Å; R756-G759 VanDerWaalsContact O-N 3.17Å; R756-F760 PolarHBondContact O-N 2.9Å; R756-T761 PolarHBondContact N-O 3.44Å; R756-T763 HydrophobicContact CG-CG2 3.62Å; R756-L865 VanDerWaalsContact NH1-CD1 3.31Å
757	L	88.5	Confident	92.8	Very high	103 Å²	103	22.7 Å²	22.7	54%	0.539	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	147	173.7	-64.7	-179.7	0	0	0	111.6	L687 T755 F760	L687-L757 HydrophobicContact CD2-CD1 4.21Å; L687-L757 HydrophobicContact CD2-CD2 4.21Å; T755-L757 PolarHBondContact O-N 2.9Å; L757-F760 HydrophobicContact CD2-CD1 4.08Å; L757-F760 HydrophobicContact CD2-CD2 4.37Å; L757-F760 HydrophobicContact CD2-CE1 3.67Å; L757-F760 HydrophobicContact CD2-CE2 4.04Å; L757-F760 HydrophobicContact CD2-CG 4.42Å; L757-F760 HydrophobicContact CD2-CZ 3.66Å
758	P	88.4	Confident	92.8	Very high	68 Å²	68	22.5 Å²	22.5	44%	0.442	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.8	-1	2.2	35.5	-36.2	0	0	0	114.9	R686 L687 F760	R686-P758 CarbonylContact C-O 3.07Å; R686-P758 WeakPolarHBondContact CA-O 3.38Å; R686-P758 HydrophobicContact CG-CB 4.29Å; L687-P758 HydrophobicContact CB-CB 4.12Å; L687-P758 PolarHBondContact N-O 2.82Å; P758-F760 WeakPolarHBondContact O-CD2 3.34Å
759	G	85.3	Confident	92.7	Very high	24 Å²	24	23.1 Å²	23.1	25%	0.247	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.1	-170.5	0	0	0	0	0	116.3	R756 T761	R756-G759 CarbonylContact O-C 3.59Å; R756-G759 PolarHBondContact O-N 3.15Å; R756-G759 VanDerWaalsContact O-N 3.17Å; G759-T761 PolarHBondContact O-N 3.07Å; G759-T761 VanDerWaalsContact O-N 3.16Å
760	F	90.1	Very high	92.6	Very high	24 Å²	24	25.8 Å²	25.8	11%	0.105	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	22.7	-179.8	-67.3	-89.7	0	0	0	115.8	V673 V685 L687 F727 T755 R756 L757 P758 E762	V673-F760 HydrophobicContact CG1-CE2 4.22Å; V673-F760 HydrophobicContact CG2-CE2 3.99Å; V673-F760 HydrophobicContact CG2-CZ 3.88Å; V685-F760 HydrophobicContact CG1-CB 4.06Å; V685-F760 HydrophobicContact CG1-CD2 3.61Å; V685-F760 HydrophobicContact CG1-CE2 4.39Å; V685-F760 HydrophobicContact CG1-CG 4.15Å; L687-F760 HydrophobicContact CB-CE2 3.72Å; L687-F760 HydrophobicContact CB-CZ 4.13Å; L687-F760 HydrophobicContact CD1-CZ 4.26Å; F727-F760 HydrophobicContact CD2-CZ 4.09Å; F727-F760 HydrophobicContact CE2-CE1 4.04Å; F727-F760 AromaticContact CE2-CZ 3.81Å; F727-F760 HydrophobicContact CE2-CZ 3.81Å; T755-F760 HydrophobicContact CG2-CD1 4.44Å; T755-F760 WeakPolarHBondContact OG1-CD1 3.47Å; R756-F760 PolarHBondContact O-N 2.9Å; L757-F760 HydrophobicContact CD2-CD1 4.08Å; L757-F760 HydrophobicContact CD2-CD2 4.37Å; L757-F760 HydrophobicContact CD2-CE1 3.67Å; L757-F760 HydrophobicContact CD2-CE2 4.04Å; L757-F760 HydrophobicContact CD2-CG 4.42Å; L757-F760 HydrophobicContact CD2-CZ 3.66Å; P758-F760 WeakPolarHBondContact O-CD2 3.34Å; F760-E762 PolarHBondContact O-N 2.63Å
761	T	86.8	Confident	92.5	Very high	23 Å²	23	27.1 Å²	27.1	14%	0.141	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-61	131.1	176.5	-42.3	0	0	0	0	110.8	T755 R756 G759 L865	T755-T761 WeakPolarHBondContact CA-O 3.48Å; R756-T761 PolarHBondContact N-O 3.44Å; G759-T761 PolarHBondContact O-N 3.07Å; G759-T761 VanDerWaalsContact O-N 3.16Å; T761-L865 HydrophobicContact CG2-CD1 4.31Å; T761-L865 HydrophobicContact CG2-CD2 4.02Å
762	E	88.7	Confident	92.3	Very high	36 Å²	36	29.1 Å²	29.1	17%	0.168	18%	0.184	C	C	.	.			trans	-60.5	142.7	175.4	-70.1	177.2	-143.6	0	0	111.9	F760 F820 M863	F760-E762 PolarHBondContact O-N 2.63Å; E762-F820 WeakPolarHBondContact OE1-CE2 3.19Å; E762-M863 HydrophobicContact CB-CE 4.21Å; E762-M863 HydrophobicContact CB-CG 4.24Å; E762-M863 WeakPolarHBondContact OE2-CE 3.22Å
763	T	93.6	Very high	92.1	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	21%	0.213	C	C	.	.			trans	-120.2	-44.2	-174.5	56.4	0	0	0	0	113.5	P754 R756 V862 M863 Y940 F945	P754-T763 WeakPolarHBondContact O-CG2 3.46Å; P754-T763 PolarHBondContact O-OG1 2.72Å; R756-T763 HydrophobicContact CG-CG2 3.62Å; T763-V862 CarbonylContact O-C 3.49Å; T763-V862 VanDerWaalsContact O-CA 3.31Å; T763-V862 WeakPolarHBondContact O-CA 3.21Å; T763-M863 PolarHBondContact O-N 3.33Å; T763-Y940 WeakPolarHBondContact CA-OH 3.22Å; T763-Y940 PolarHBondContact O-OH 3.26Å; T763-F945 HydrophobicContact CG2-CD1 4.03Å; T763-F945 HydrophobicContact CG2-CD2 4.32Å; T763-F945 HydrophobicContact CG2-CE1 3.8Å; T763-F945 HydrophobicContact CG2-CE2 4.11Å; T763-F945 HydrophobicContact CG2-CG 4.29Å; T763-F945 HydrophobicContact CG2-CZ 3.84Å
764	A	95.6	Very high	92.2	Very high	2 Å²	2	39.7 Å²	39.7	2%	0.017	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	163.3	-173	0	0	0	0	0	110.8	G753 G861 V862 F945 L946 F949	G753-A764 PolarHBondContact N-O 2.94Å; A764-G861 CarbonylContact C-O 3.58Å; A764-G861 WeakPolarHBondContact CA-O 3.29Å; A764-G861 VanDerWaalsContact CB-O 3.29Å; A764-G861 WeakPolarHBondContact CB-O 3.32Å; A764-V862 HydrophobicContact CB-CG1 3.96Å; A764-F945 HydrophobicContact CB-CB 3.94Å; A764-L946 HydrophobicContact CB-CD2 4.08Å; A764-F949 HydrophobicContact CB-CE2 3.81Å; A764-F949 HydrophobicContact CB-CZ 4.01Å
765	A	96.6	Very high	92.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.9	171.2	0	0	0	0	0	112.9	D751 Y821 W825 V860 G861 F949	D751-A765 CarbonylContact O-C 3.5Å; D751-A765 WeakPolarHBondContact O-CA 3.46Å; D751-A765 WeakPolarHBondContact O-CB 3.36Å; A765-Y821 HydrophobicContact CB-CE2 3.77Å; A765-Y821 WeakPolarHBondContact CB-OH 3.49Å; A765-W825 HydrophobicContact CB-CH2 4.09Å; A765-W825 HydrophobicContact CB-CZ3 4.04Å; A765-V860 CarbonylContact O-C 3.6Å; A765-V860 WeakPolarHBondContact O-CA 3.28Å; A765-G861 PolarHBondContact N-O 3.16Å; A765-G861 PolarHBondContact O-N 3.32Å; A765-F949 VanDerWaalsContact C-CZ 3.48Å; A765-F949 VanDerWaalsContact CA-CZ 3.49Å
766	C	96.8	Very high	92.6	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.02	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.9	174.7	-177.6	0	0	0	0	110.7	S750 D751 L859 V860 F949	S750-C766 WeakPolarHBondContact CA-O 3.43Å; S750-C766 WeakPolarHBondContact CB-O 3.35Å; D751-C766 HydrophobicContact CB-CB 4.37Å; D751-C766 PolarHBondContact N-O 2.79Å; D751-C766 PolarHBondContact O-N 2.89Å; C766-L859 WeakPolarHBondContact CA-O 3.19Å; C766-V860 HydrophobicContact CB-CG2 4.3Å; C766-F949 HydrophobicContact CB-CB 4.11Å; C766-F949 HydrophobicContact CB-CD1 3.47Å; C766-F949 VanDerWaalsContact CB-CD1 3.47Å; C766-F949 HydrophobicContact CB-CD2 3.92Å; C766-F949 HydrophobicContact CB-CE1 3.79Å; C766-F949 HydrophobicContact CB-CE2 4.19Å; C766-F949 HydrophobicContact CB-CG 3.56Å; C766-F949 HydrophobicContact CB-CZ 4.14Å
767	M	96.8	Very high	92.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139	171.1	-170.1	-178.6	-76	0	0	110.3	L822 W825 I826 L829 Y830 H858 L859	M767-L822 HydrophobicContact CE-CD2 3.8Å; M767-W825 HydrophobicContact CB-CE3 3.56Å; M767-W825 HydrophobicContact CB-CZ3 4.09Å; M767-W825 HydrophobicContact CE-CB 4.41Å; M767-W825 HydrophobicContact SD-CB 3.77Å; M767-I826 HydrophobicContact CE-CD1 4.2Å; M767-I826 HydrophobicContact CE-CG1 3.74Å; M767-I826 HydrophobicContact SD-CG1 3.67Å; M767-L829 HydrophobicContact CB-CD1 3.81Å; M767-L829 HydrophobicContact CG-CD1 3.64Å; M767-L829 VanDerWaalsContact O-CD1 3.27Å; M767-L829 WeakPolarHBondContact O-CD1 3.39Å; M767-L829 HydrophobicContact SD-CD1 4.01Å; M767-Y830 HydrophobicContact CG-CE2 4.12Å; M767-Y830 HydrophobicContact SD-CE2 3.87Å; M767-H858 CarbonylContact O-C 3.58Å; M767-H858 WeakPolarHBondContact O-CA 3.23Å; M767-L859 PolarHBondContact N-O 3.43Å; M767-L859 PolarHBondContact O-N 3.49Å
768	P	95	Very high	93.3	Very high	20 Å²	20	41.4 Å²	41.4	13%	0.13	26%	0.257	C	S	.	.	S	Bend	cis	-59.7	166.9	-9	30.2	-39.2	0	0	0	112.7	Y830 A855 G857	P768-Y830 VanDerWaalsContact CB-OH 3.3Å; P768-Y830 WeakPolarHBondContact CB-OH 3.39Å; P768-A855 HydrophobicContact CB-CB 4.02Å; P768-A855 HydrophobicContact CG-CB 3.69Å; P768-G857 VanDerWaalsContact CD-O 3.25Å; P768-G857 WeakPolarHBondContact CD-O 3.49Å
769	T	95.2	Very high	93.7	Very high	15 Å²	15	38.2 Å²	38.2	9%	0.092	24%	0.236	C	C	.	.			trans	-55.2	141.3	170	-178.9	0	0	0	0	112	V749 D751 L771 E776	V749-T769 HydrophobicContact CB-CG2 3.74Å; V749-T769 HydrophobicContact CG1-CG2 4Å; V749-T769 PolarHBondContact O-N 3.04Å; V749-T769 VanDerWaalsContact O-N 3.09Å; D751-T769 WeakPolarHBondContact OD1-CA 3.22Å; D751-T769 WeakPolarHBondContact OD1-CB 3.36Å; D751-T769 PolarHBondContact OD1-OG1 3.08Å; T769-L771 VanDerWaalsContact C-N 3.29Å; T769-L771 HydrophobicContact CG2-CB 4.31Å; T769-L771 VanDerWaalsContact OG1-CB 3.26Å; T769-L771 WeakPolarHBondContact OG1-CB 3.25Å; T769-L771 WeakPolarHBondContact OG1-CG 3.34Å; T769-L771 PolarHBondContact OG1-N 3.01Å; T769-L771 VanDerWaalsContact OG1-N 3.08Å; T769-E776 HydrophobicContact CG2-CB 4.27Å; T769-E776 HydrophobicContact CG2-CG 3.86Å
770	G	93.4	Very high	94.3	Very high	55 Å²	55	38.2 Å²	38.2	57%	0.567	23%	0.231	S	C	*	.			trans	-86.1	3.7	169.2	0	0	0	0	0	113.6	D751	D751-G770 PolarHBondContact OD2-N 3.35Å
771	L	94.3	Very high	94.6	Very high	28 Å²	28	40 Å²	40	15%	0.147	24%	0.24	C	C	.	.	S	Bend	trans	-62.1	151.5	177.3	-69.9	178.5	0	0	0	112.1	T769 Q775 M779 L803	T769-L771 VanDerWaalsContact C-N 3.29Å; T769-L771 HydrophobicContact CG2-CB 4.31Å; T769-L771 VanDerWaalsContact OG1-CB 3.26Å; T769-L771 WeakPolarHBondContact OG1-CB 3.25Å; T769-L771 WeakPolarHBondContact OG1-CG 3.34Å; T769-L771 PolarHBondContact OG1-N 3.01Å; T769-L771 VanDerWaalsContact OG1-N 3.08Å; L771-Q775 HydrophobicContact CB-CB 4.1Å; L771-Q775 HydrophobicContact CD1-CB 4.39Å; L771-Q775 HydrophobicContact CD2-CB 4.36Å; L771-M779 HydrophobicContact CD1-CG 3.92Å; L771-L803 HydrophobicContact CD1-CD2 4.09Å; L771-L803 HydrophobicContact CD2-CD2 3.45Å; L771-L803 VanDerWaalsContact CD2-CD2 3.45Å; L771-L803 HydrophobicContact CG-CD2 4.42Å
772	A	93.6	Very high	95.2	Very high	57 Å²	57	39 Å²	39	47%	0.471	23%	0.233	S	C	.	.			trans	-63.8	148.2	169.9	0	0	0	0	0	110.1	E774 Q775 E776	A772-E774 PolarHBondContact O-N 3.41Å; A772-Q775 WeakPolarHBondContact O-CA 3.28Å; A772-Q775 WeakPolarHBondContact O-CB 3.18Å; A772-Q775 PolarHBondContact O-N 3.23Å; A772-E776 PolarHBondContact O-N 2.97Å
773	S	91.4	Very high	95.6	Very high	98 Å²	98	37.2 Å²	37.2	69%	0.685	23%	0.225	S	C	*	.	H	α-helix	trans	-55.8	-29.2	-175.3	-52.5	0	0	0	0	114.4	A777	S773-A777 VanDerWaalsContact O-CB 3.3Å; S773-A777 WeakPolarHBondContact O-CB 3.47Å; S773-A777 PolarHBondContact O-N 3.48Å
774	E	94.4	Very high	95.8	Very high	143 Å²	143	38.5 Å²	38.5	67%	0.668	23%	0.23	S	C	*	.	H	α-helix	trans	-68.7	-44.1	173.1	-177.2	177.9	-173.8	0	0	112	A772 A777 Q778	A772-E774 PolarHBondContact O-N 3.41Å; E774-A777 PolarHBondContact O-N 2.86Å; E774-Q778 VanDerWaalsContact O-CG 3.29Å; E774-Q778 WeakPolarHBondContact O-CG 3.35Å; E774-Q778 PolarHBondContact O-N 2.83Å
775	Q	96.2	Very high	95.9	Very high	75 Å²	75	40.3 Å²	40.3	35%	0.35	24%	0.237	S	C	.	.	H	α-helix	trans	-66.9	-44.7	178.5	-67.5	173.2	-46.2	0	0	110.6	L771 A772 A777 Q778 M779 L803	L771-Q775 HydrophobicContact CB-CB 4.1Å; L771-Q775 HydrophobicContact CD1-CB 4.39Å; L771-Q775 HydrophobicContact CD2-CB 4.36Å; A772-Q775 WeakPolarHBondContact O-CA 3.28Å; A772-Q775 WeakPolarHBondContact O-CB 3.18Å; A772-Q775 PolarHBondContact O-N 3.23Å; Q775-A777 VanDerWaalsContact C-N 3.32Å; Q775-A777 PolarHBondContact O-N 3.02Å; Q775-Q778 WeakPolarHBondContact O-CB 3.29Å; Q775-Q778 PolarHBondContact O-N 2.97Å; Q775-Q778 VanDerWaalsContact O-N 3.11Å; Q775-M779 VanDerWaalsContact O-CG 3.26Å; Q775-M779 WeakPolarHBondContact O-CG 3.5Å; Q775-M779 PolarHBondContact O-N 3.21Å; Q775-L803 HydrophobicContact CB-CD2 4.08Å; Q775-L803 HydrophobicContact CG-CD2 4.2Å
776	E	95.7	Very high	95.9	Very high	64 Å²	64	40.3 Å²	40.3	30%	0.299	24%	0.237	S	C	.	.	H	α-helix	trans	-55.2	-47.5	172.8	-176.8	-174.6	-173.8	0	0	111.1	V749 T769 A772 Q778 M779 V780	V749-E776 HydrophobicContact CB-CG 4.41Å; V749-E776 HydrophobicContact CG2-CG 3.89Å; T769-E776 HydrophobicContact CG2-CB 4.27Å; T769-E776 HydrophobicContact CG2-CG 3.86Å; A772-E776 PolarHBondContact O-N 2.97Å; E776-Q778 VanDerWaalsContact C-N 3.32Å; E776-Q778 PolarHBondContact O-N 3.31Å; E776-M779 WeakPolarHBondContact O-CB 3.48Å; E776-M779 PolarHBondContact O-N 3.01Å; E776-M779 VanDerWaalsContact O-N 3.16Å; E776-V780 WeakPolarHBondContact O-CG2 3.32Å; E776-V780 PolarHBondContact O-N 3.23Å
777	A	94.6	Very high	96	Very high	58 Å²	58	40.1 Å²	40.1	48%	0.479	24%	0.236	S	C	.	.	H	α-helix	trans	-62.5	-37.4	176.7	0	0	0	0	0	112.8	S773 E774 Q775 Q781	S773-A777 VanDerWaalsContact O-CB 3.3Å; S773-A777 WeakPolarHBondContact O-CB 3.47Å; S773-A777 PolarHBondContact O-N 3.48Å; E774-A777 PolarHBondContact O-N 2.86Å; Q775-A777 VanDerWaalsContact C-N 3.32Å; Q775-A777 PolarHBondContact O-N 3.02Å; A777-Q781 VanDerWaalsContact O-CB 3.23Å; A777-Q781 WeakPolarHBondContact O-CB 3.47Å; A777-Q781 PolarHBondContact O-N 3.42Å
778	Q	96.6	Very high	96	Very high	76 Å²	76	42.3 Å²	42.3	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-64.3	-41.3	173.8	-73.1	174.3	4.7	0	0	111.7	E774 Q775 E776 Q781 A782 P808	E774-Q778 VanDerWaalsContact O-CG 3.29Å; E774-Q778 WeakPolarHBondContact O-CG 3.35Å; E774-Q778 PolarHBondContact O-N 2.83Å; Q775-Q778 WeakPolarHBondContact O-CB 3.29Å; Q775-Q778 PolarHBondContact O-N 2.97Å; Q775-Q778 VanDerWaalsContact O-N 3.11Å; E776-Q778 VanDerWaalsContact C-N 3.32Å; E776-Q778 PolarHBondContact O-N 3.31Å; Q778-Q781 PolarHBondContact O-N 3.39Å; Q778-A782 VanDerWaalsContact O-CB 3.28Å; Q778-A782 WeakPolarHBondContact O-CB 3.25Å; Q778-A782 PolarHBondContact O-N 3.01Å; Q778-P808 HydrophobicContact CB-CG 4.01Å
779	M	97.8	Very high	96	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-49.3	176.9	-67.3	-63.6	-68.9	0	0	111.3	H733 V735 L771 Q775 E776 Q781 A782 A783 L801 L803 P808	H733-M779 HydrophobicContact CB-CE 3.44Å; H733-M779 VanDerWaalsContact CB-CE 3.44Å; V735-M779 HydrophobicContact CG2-CB 4.15Å; V735-M779 HydrophobicContact CG2-CE 4.38Å; L771-M779 HydrophobicContact CD1-CG 3.92Å; Q775-M779 VanDerWaalsContact O-CG 3.26Å; Q775-M779 WeakPolarHBondContact O-CG 3.5Å; Q775-M779 PolarHBondContact O-N 3.21Å; E776-M779 WeakPolarHBondContact O-CB 3.48Å; E776-M779 PolarHBondContact O-N 3.01Å; E776-M779 VanDerWaalsContact O-N 3.16Å; M779-Q781 VanDerWaalsContact C-N 3.34Å; M779-Q781 PolarHBondContact O-N 2.68Å; M779-A782 PolarHBondContact O-N 3.24Å; M779-A783 WeakPolarHBondContact O-CB 3.18Å; M779-A783 PolarHBondContact O-N 3.12Å; M779-L801 HydrophobicContact CE-CB 3.28Å; M779-L801 HydrophobicContact CE-CD1 3.81Å; M779-L801 HydrophobicContact CE-CG 4.16Å; M779-L801 HydrophobicContact SD-CB 4.3Å; M779-L801 HydrophobicContact SD-CD1 4.48Å; M779-L803 HydrophobicContact SD-CB 4.1Å; M779-L803 HydrophobicContact SD-CD1 4.11Å; M779-P808 HydrophobicContact CG-CG 4.39Å; M779-P808 HydrophobicContact SD-CB 3.62Å; M779-P808 HydrophobicContact SD-CG 3.57Å; M779-P808 VanDerWaalsContact SD-CG 3.57Å
780	V	97.4	Very high	96.1	Very high	24 Å²	24	41.7 Å²	41.7	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-59.9	-44.5	176.1	173.9	0	0	0	0	111.3	V735 L737 L744 A747 V749 E776 F784	V735-V780 HydrophobicContact CG1-CG2 4.34Å; L737-V780 HydrophobicContact CD2-CG1 4.43Å; L744-V780 HydrophobicContact CD2-CG1 3.64Å; A747-V780 HydrophobicContact CB-CB 4.3Å; A747-V780 HydrophobicContact CB-CG1 3.54Å; A747-V780 HydrophobicContact CB-CG2 3.75Å; V749-V780 HydrophobicContact CG2-CG2 3.75Å; E776-V780 WeakPolarHBondContact O-CG2 3.32Å; E776-V780 PolarHBondContact O-N 3.23Å; V780-F784 VanDerWaalsContact O-CB 3.26Å; V780-F784 WeakPolarHBondContact O-CB 3.34Å; V780-F784 PolarHBondContact O-N 3.22Å
781	Q	96.8	Very high	96.2	Very high	63 Å²	63	40.4 Å²	40.4	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-66	-39.4	179.4	-173.6	62.3	38.3	0	0	112	P643 A777 Q778 M779 R785	P643-Q781 HydrophobicContact CG-CG 3.72Å; A777-Q781 VanDerWaalsContact O-CB 3.23Å; A777-Q781 WeakPolarHBondContact O-CB 3.47Å; A777-Q781 PolarHBondContact O-N 3.42Å; Q778-Q781 PolarHBondContact O-N 3.39Å; M779-Q781 VanDerWaalsContact C-N 3.34Å; M779-Q781 PolarHBondContact O-N 2.68Å; Q781-R785 HydrophobicContact CG-CG 4.5Å; Q781-R785 VanDerWaalsContact NE2-NE 3.17Å; Q781-R785 WeakPolarHBondContact O-CB 3.25Å; Q781-R785 VanDerWaalsContact O-CG 3.22Å; Q781-R785 WeakPolarHBondContact O-CG 3.48Å; Q781-R785 PolarHBondContact O-N 3.44Å
782	A	97.9	Very high	96.3	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.2	-52	176.5	0	0	0	0	0	111	H648 Q778 M779 F784 R785 C786 L801 P808	H648-A782 VanDerWaalsContact CE1-CB 3.46Å; H648-A782 WeakPolarHBondContact CE1-CB 3.5Å; Q778-A782 VanDerWaalsContact O-CB 3.28Å; Q778-A782 WeakPolarHBondContact O-CB 3.25Å; Q778-A782 PolarHBondContact O-N 3.01Å; M779-A782 PolarHBondContact O-N 3.24Å; A782-F784 VanDerWaalsContact C-N 3.33Å; A782-F784 PolarHBondContact O-N 3.14Å; A782-R785 PolarHBondContact O-N 3.06Å; A782-C786 WeakPolarHBondContact O-CB 3.31Å; A782-C786 PolarHBondContact O-N 3.41Å; A782-C786 PolarHBondContact O-SG 3.28Å; A782-L801 HydrophobicContact CB-CD1 4.35Å; A782-L801 HydrophobicContact CB-CD2 4.33Å; A782-P808 HydrophobicContact CB-CB 3.68Å; A782-P808 HydrophobicContact CB-CG 4.08Å
783	A	98.2	Very high	96.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.7	-48.9	177.1	0	0	0	0	0	111.3	V735 L737 M779 R785 C786 C787 V799 L801	V735-A783 HydrophobicContact CB-CB 3.78Å; V735-A783 HydrophobicContact CG1-CB 3.71Å; V735-A783 HydrophobicContact CG2-CB 4.25Å; L737-A783 HydrophobicContact CD1-CB 3.75Å; L737-A783 HydrophobicContact CD2-CB 4.4Å; L737-A783 HydrophobicContact CG-CB 4.28Å; M779-A783 WeakPolarHBondContact O-CB 3.18Å; M779-A783 PolarHBondContact O-N 3.12Å; A783-R785 PolarHBondContact O-N 3.38Å; A783-C786 PolarHBondContact O-N 3.21Å; A783-C787 PolarHBondContact O-N 3.04Å; A783-C787 PolarHBondContact O-SG 2.91Å; A783-V799 HydrophobicContact CB-CB 3.82Å; A783-V799 HydrophobicContact CB-CG1 3.99Å; A783-V799 HydrophobicContact CB-CG2 4Å; A783-L801 HydrophobicContact CB-CD1 3.9Å
784	F	97.6	Very high	96.6	Very high	27 Å²	27	37.5 Å²	37.5	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-43.2	179.5	177	-130.1	0	0	0	112.5	L737 L739 G742 L744 V780 A782 C787 L788	L737-F784 HydrophobicContact CD1-CB 4.37Å; L739-F784 HydrophobicContact CD1-CD2 4.21Å; L739-F784 HydrophobicContact CD1-CE2 4.4Å; L739-F784 HydrophobicContact CD2-CD2 3.64Å; L739-F784 HydrophobicContact CD2-CE2 3.79Å; G742-F784 WeakPolarHBondContact O-CZ 3.42Å; L744-F784 HydrophobicContact CB-CD2 4.21Å; L744-F784 HydrophobicContact CB-CE2 4.1Å; L744-F784 HydrophobicContact CB-CZ 4.3Å; V780-F784 VanDerWaalsContact O-CB 3.26Å; V780-F784 WeakPolarHBondContact O-CB 3.34Å; V780-F784 PolarHBondContact O-N 3.22Å; A782-F784 VanDerWaalsContact C-N 3.33Å; A782-F784 PolarHBondContact O-N 3.14Å; F784-C787 PolarHBondContact O-N 3.22Å; F784-L788 HydrophobicContact CD1-CD1 4.47Å; F784-L788 HydrophobicContact CD2-CD1 4.25Å; F784-L788 HydrophobicContact CD2-CG 4.08Å; F784-L788 HydrophobicContact CE1-CD1 3.87Å; F784-L788 HydrophobicContact CE2-CD1 3.62Å; F784-L788 HydrophobicContact CE2-CD2 3.97Å; F784-L788 HydrophobicContact CE2-CG 3.7Å; F784-L788 HydrophobicContact CZ-CD1 3.41Å; F784-L788 VanDerWaalsContact CZ-CD1 3.41Å; F784-L788 HydrophobicContact CZ-CD2 4.47Å; F784-L788 HydrophobicContact CZ-CG 4.06Å; F784-L788 WeakPolarHBondContact O-CG 3.39Å; F784-L788 PolarHBondContact O-N 3.18Å
785	R	97.1	Very high	96.6	Very high	40 Å²	40	31.3 Å²	31.3	15%	0.151	18%	0.176	C	C	.	.	H	α-helix	trans	-67	-39	177.7	-73.3	-66.1	-167.2	-139.6	-5.1	112.4	W642 P643 P645 Q781 A782 A783 G789	W642-R785 PolarHBondContact O-NH2 2.92Å; P643-R785 HydrophobicContact CG-CG 4.38Å; P643-R785 VanDerWaalsContact O-CD 3.31Å; P643-R785 WeakPolarHBondContact O-CD 3.4Å; P643-R785 WeakPolarHBondContact O-CG 3.39Å; P643-R785 PolarHBondContact O-NE 2.72Å; P643-R785 VanDerWaalsContact O-NE 3.16Å; P645-R785 HydrophobicContact CG-CB 4.44Å; P645-R785 WeakPolarHBondContact CG-O 3.38Å; Q781-R785 HydrophobicContact CG-CG 4.5Å; Q781-R785 VanDerWaalsContact NE2-NE 3.17Å; Q781-R785 WeakPolarHBondContact O-CB 3.25Å; Q781-R785 VanDerWaalsContact O-CG 3.22Å; Q781-R785 WeakPolarHBondContact O-CG 3.48Å; Q781-R785 PolarHBondContact O-N 3.44Å; A782-R785 PolarHBondContact O-N 3.06Å; A783-R785 PolarHBondContact O-N 3.38Å; R785-G789 PolarHBondContact O-N 2.99Å
786	C	97.9	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-45.2	175.6	-68.9	0	0	0	0	111.5	L634 A782 A783 G789 C790 L810 I813	L634-C786 HydrophobicContact CD1-CB 3.98Å; A782-C786 WeakPolarHBondContact O-CB 3.31Å; A782-C786 PolarHBondContact O-N 3.41Å; A782-C786 PolarHBondContact O-SG 3.28Å; A783-C786 PolarHBondContact O-N 3.21Å; C786-G789 PolarHBondContact O-N 3.05Å; C786-C790 PolarHBondContact O-N 3.36Å; C786-C790 VanDerWaalsContact O-N 3.09Å; C786-C790 PolarHBondContact O-SG 3.46Å; C786-L810 HydrophobicContact CB-CD1 4.41Å; C786-L810 HydrophobicContact CB-CD2 4.33Å; C786-I813 HydrophobicContact CB-CD1 3.99Å
787	C	97.6	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59	-50.8	174.6	-70.1	0	0	0	0	112.1	L739 A783 F784 G789 C790 G791 L792	L739-C787 HydrophobicContact CD1-CB 3.86Å; A783-C787 PolarHBondContact O-N 3.04Å; A783-C787 PolarHBondContact O-SG 2.91Å; F784-C787 PolarHBondContact O-N 3.22Å; C787-G789 VanDerWaalsContact C-N 3.31Å; C787-G789 PolarHBondContact O-N 3.19Å; C787-C790 PolarHBondContact O-N 3.47Å; C787-C790 VanDerWaalsContact O-N 3.12Å; C787-G791 PolarHBondContact O-N 2.68Å; C787-L792 HydrophobicContact CB-CB 4.13Å; C787-L792 HydrophobicContact CB-CD1 4.46Å; C787-L792 WeakPolarHBondContact O-CB 3.15Å; C787-L792 PolarHBondContact O-N 2.85Å
788	L	96.4	Very high	96.8	Very high	46 Å²	46	22.4 Å²	22.4	24%	0.241	13%	0.125	C	C	.	.	H	α-helix	trans	-62.4	-38.1	177.7	-69.7	-171.7	0	0	0	112.5	F784 C790 G791 L793	F784-L788 HydrophobicContact CD1-CD1 4.47Å; F784-L788 HydrophobicContact CD2-CD1 4.25Å; F784-L788 HydrophobicContact CD2-CG 4.08Å; F784-L788 HydrophobicContact CE1-CD1 3.87Å; F784-L788 HydrophobicContact CE2-CD1 3.62Å; F784-L788 HydrophobicContact CE2-CD2 3.97Å; F784-L788 HydrophobicContact CE2-CG 3.7Å; F784-L788 HydrophobicContact CZ-CD1 3.41Å; F784-L788 VanDerWaalsContact CZ-CD1 3.41Å; F784-L788 HydrophobicContact CZ-CD2 4.47Å; F784-L788 HydrophobicContact CZ-CG 4.06Å; F784-L788 WeakPolarHBondContact O-CG 3.39Å; F784-L788 PolarHBondContact O-N 3.18Å; L788-C790 PolarHBondContact O-N 3Å; L788-G791 PolarHBondContact O-N 2.72Å; L788-L793 HydrophobicContact CD2-CD2 3.63Å
789	G	96	Very high	96.9	Very high	16 Å²	16	18.8 Å²	18.8	17%	0.165	11%	0.108	C	C	.	.	H	α-helix	trans	-61.8	-29.3	176.1	0	0	0	0	0	113	H633 R785 C786 C787	H633-G789 PolarHBondContact NE2-O 2.55Å; R785-G789 PolarHBondContact O-N 2.99Å; C786-G789 PolarHBondContact O-N 3.05Å; C787-G789 VanDerWaalsContact C-N 3.31Å; C787-G789 PolarHBondContact O-N 3.19Å
790	C	96.8	Very high	96.9	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.041	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-5.2	173.6	-61.2	0	0	0	0	113.8	A620 L623 C786 C787 L788 L792	A620-C790 WeakPolarHBondContact CA-O 3.35Å; A620-C790 WeakPolarHBondContact CB-O 3.47Å; L623-C790 HydrophobicContact CD2-CB 3.78Å; L623-C790 HydrophobicContact CG-CB 4.22Å; C786-C790 PolarHBondContact O-N 3.36Å; C786-C790 VanDerWaalsContact O-N 3.09Å; C786-C790 PolarHBondContact O-SG 3.46Å; C787-C790 PolarHBondContact O-N 3.47Å; C787-C790 VanDerWaalsContact O-N 3.12Å; L788-C790 PolarHBondContact O-N 3Å; C790-L792 HydrophobicContact CB-CD1 4.34Å; C790-L792 HydrophobicContact CB-CG 4.19Å
791	G	95.8	Very high	97	Very high	27 Å²	27	19.1 Å²	19.1	28%	0.278	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	20.8	-175.5	0	0	0	0	0	114.2	C787 L788 L793	C787-G791 PolarHBondContact O-N 2.68Å; L788-G791 PolarHBondContact O-N 2.72Å; G791-L793 PolarHBondContact O-N 2.83Å
792	L	96.9	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.098	C	C	.	.			trans	-84.3	102.8	174.5	-61.3	174.6	0	0	0	109.3	A620 M621 A624 C787 C790 F797 I813	A620-L792 HydrophobicContact CB-CD2 3.89Å; M621-L792 HydrophobicContact SD-CD2 3.85Å; A624-L792 HydrophobicContact CB-CD1 4.12Å; C787-L792 HydrophobicContact CB-CB 4.13Å; C787-L792 HydrophobicContact CB-CD1 4.46Å; C787-L792 WeakPolarHBondContact O-CB 3.15Å; C787-L792 PolarHBondContact O-N 2.85Å; C790-L792 HydrophobicContact CB-CD1 4.34Å; C790-L792 HydrophobicContact CB-CG 4.19Å; L792-F797 HydrophobicContact CB-CD1 4.32Å; L792-F797 HydrophobicContact CB-CE1 3.77Å; L792-F797 HydrophobicContact CB-CE2 4.29Å; L792-F797 HydrophobicContact CB-CZ 3.74Å; L792-F797 HydrophobicContact CD1-CD1 3.83Å; L792-F797 HydrophobicContact CD1-CE1 3.84Å; L792-F797 HydrophobicContact CD2-CE1 3.84Å; L792-F797 HydrophobicContact CD2-CZ 4.37Å; L792-F797 HydrophobicContact CG-CD1 4.48Å; L792-F797 HydrophobicContact CG-CE1 4.02Å; L792-F797 HydrophobicContact CG-CZ 4.46Å; L792-I813 HydrophobicContact CD1-CG2 3.77Å
793	L	95.3	Very high	97	Very high	72 Å²	72	17.8 Å²	17.8	38%	0.377	10%	0.102	S	C	.	.			trans	-110.4	-28.1	-170.8	-56.8	-175.7	0	0	0	113.8	L739 F740 G741 G742 L788 G791	L739-L793 CarbonylContact C-O 3.56Å; F740-L793 CarbonylContact C-O 3.48Å; F740-L793 PolarHBondContact N-O 3.47Å; G741-L793 PolarHBondContact N-O 2.97Å; G742-L793 PolarHBondContact N-O 2.83Å; L788-L793 HydrophobicContact CD2-CD2 3.63Å; G791-L793 PolarHBondContact O-N 2.83Å
794	D	95.2	Very high	96.9	Very high	51 Å²	51	19.1 Å²	19.1	27%	0.273	11%	0.11	S	C	.	.	S	Bend	trans	-137.2	109.2	-172.6	-66.5	-77.1	0	0	0	108.6	S616 L739 F740 G741 V841	S616-D794 PolarHBondContact OG-O 2.94Å; L739-D794 WeakPolarHBondContact O-CA 3.43Å; F740-D794 WeakPolarHBondContact CA-OD1 3.18Å; G741-D794 PolarHBondContact N-OD1 2.86Å; D794-V841 HydrophobicContact CB-CG1 3.86Å
795	G	95.3	Very high	96.8	Very high	12 Å²	12	22.4 Å²	22.4	12%	0.124	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	179.5	176	0	0	0	0	0	113.8	L739 F797	L739-G795 PolarHBondContact N-O 2.97Å; L739-G795 PolarHBondContact O-N 2.8Å; G795-F797 VanDerWaalsContact C-CE2 3.41Å; G795-F797 VanDerWaalsContact CA-CE2 3.47Å; G795-F797 WeakPolarHBondContact O-CE2 3.35Å
796	V	96.8	Very high	96.6	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.4	163.7	-178.2	0	0	0	0	106.9	L737 V738 R816 M817 L834 A837 A838	L737-V796 CarbonylContact O-C 3.51Å; L737-V796 VanDerWaalsContact O-CA 3.26Å; L737-V796 WeakPolarHBondContact O-CA 3.22Å; V738-V796 HydrophobicContact CG1-CG2 4.41Å; V738-V796 HydrophobicContact CG2-CG2 4.22Å; V796-R816 CarbonylContact O-C 3.42Å; V796-R816 WeakPolarHBondContact O-CA 3.46Å; V796-R816 PolarHBondContact O-N 2.83Å; V796-M817 HydrophobicContact CG1-CB 3.96Å; V796-L834 HydrophobicContact CG1-CB 4.44Å; V796-L834 HydrophobicContact CG1-CD1 4.35Å; V796-L834 HydrophobicContact CG1-CD2 4.21Å; V796-A837 HydrophobicContact CG2-CB 4.3Å; V796-A838 HydrophobicContact CB-CB 4.39Å; V796-A838 HydrophobicContact CG2-CB 3.81Å
797	F	97	Very high	96.5	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131	-172.7	-55.6	-78.7	0	0	0	109.3	D736 L737 L739 L792 G795 P815 R816	D736-F797 CarbonylContact C-O 3.52Å; D736-F797 WeakPolarHBondContact CA-O 3.47Å; L737-F797 HydrophobicContact CB-CB 4.48Å; L737-F797 PolarHBondContact N-O 3Å; L737-F797 PolarHBondContact O-N 3.02Å; L739-F797 HydrophobicContact CB-CD2 4.37Å; L739-F797 HydrophobicContact CB-CE2 4.02Å; L739-F797 HydrophobicContact CD1-CD2 3.88Å; L739-F797 HydrophobicContact CD1-CE2 3.9Å; L739-F797 HydrophobicContact CG-CD2 3.9Å; L739-F797 HydrophobicContact CG-CE2 4.01Å; L792-F797 HydrophobicContact CB-CD1 4.32Å; L792-F797 HydrophobicContact CB-CE1 3.77Å; L792-F797 HydrophobicContact CB-CE2 4.29Å; L792-F797 HydrophobicContact CB-CZ 3.74Å; L792-F797 HydrophobicContact CD1-CD1 3.83Å; L792-F797 HydrophobicContact CD1-CE1 3.84Å; L792-F797 HydrophobicContact CD2-CE1 3.84Å; L792-F797 HydrophobicContact CD2-CZ 4.37Å; L792-F797 HydrophobicContact CG-CD1 4.48Å; L792-F797 HydrophobicContact CG-CE1 4.02Å; L792-F797 HydrophobicContact CG-CZ 4.46Å; G795-F797 VanDerWaalsContact C-CE2 3.41Å; G795-F797 VanDerWaalsContact CA-CE2 3.47Å; G795-F797 WeakPolarHBondContact O-CE2 3.35Å; F797-P815 HydrophobicContact CD1-CB 4.17Å; F797-P815 HydrophobicContact CE1-CB 4.17Å; F797-R816 CarbonylContact C-O 3.58Å; F797-R816 WeakPolarHBondContact CA-O 3.46Å
798	N	97.5	Very high	96.5	Very high	4 Å²	4	25 Å²	25	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	129	167.6	165.6	-90.8	0	0	0	108.1	D736 N814 R816	D736-N798 PolarHBondContact OD2-ND2 3.27Å; D736-N798 VanDerWaalsContact OD2-ND2 3.09Å; N798-N814 HydrophobicContact CB-CB 4.18Å; N798-N814 PolarHBondContact N-O 3.38Å; N798-N814 WeakPolarHBondContact O-CA 3.48Å; N798-N814 WeakPolarHBondContact O-CB 3.42Å; N798-N814 PolarHBondContact O-N 2.97Å; N798-N814 PolarHBondContact OD1-ND2 3.46Å; N798-R816 PolarHBondContact N-O 3.15Å
799	V	98.3	Very high	96.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.8	-176.3	-173.1	0	0	0	0	109.2	V735 L737 A783 L801 L810 I813	V735-V799 PolarHBondContact N-O 2.75Å; V735-V799 PolarHBondContact O-N 2.88Å; L737-V799 HydrophobicContact CD1-CG2 4.34Å; A783-V799 HydrophobicContact CB-CB 3.82Å; A783-V799 HydrophobicContact CB-CG1 3.99Å; A783-V799 HydrophobicContact CB-CG2 4Å; V799-L801 HydrophobicContact CG1-CD1 4.28Å; V799-L801 HydrophobicContact CG1-CG 4.14Å; V799-L810 HydrophobicContact CG1-CD1 3.43Å; V799-L810 VanDerWaalsContact CG1-CD1 3.43Å; V799-I813 HydrophobicContact CG1-CG1 4.23Å; V799-I813 HydrophobicContact CG2-CG2 4.38Å
800	E	97.5	Very high	96.7	Very high	30 Å²	30	25 Å²	25	14%	0.14	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.8	-178.9	-55.1	-176.8	-167	0	0	109.2	D734 I811 E812 N814	D734-E800 WeakPolarHBondContact OD1-CG 3.45Å; E800-I811 HydrophobicContact CB-CB 4.05Å; E800-I811 WeakPolarHBondContact O-CB 3.36Å; E800-I811 PolarHBondContact O-N 2.77Å; E800-E812 HydrophobicContact CB-CG 4.01Å; E800-E812 HydrophobicContact CG-CG 3.95Å; E800-E812 PolarHBondContact N-O 2.95Å; E800-E812 PolarHBondContact O-N 2.75Å; E800-E812 WeakPolarHBondContact OE2-CG 3.42Å; E800-N814 PolarHBondContact OE1-ND2 3.42Å
801	L	98.2	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.4	-173	-74.1	159.4	0	0	0	110.1	H733 V735 M779 A782 A783 V799 P808 R809 L810	H733-L801 PolarHBondContact N-O 3.28Å; H733-L801 PolarHBondContact O-N 2.84Å; V735-L801 HydrophobicContact CG2-CD1 3.8Å; M779-L801 HydrophobicContact CE-CB 3.28Å; M779-L801 HydrophobicContact CE-CD1 3.81Å; M779-L801 HydrophobicContact CE-CG 4.16Å; M779-L801 HydrophobicContact SD-CB 4.3Å; M779-L801 HydrophobicContact SD-CD1 4.48Å; A782-L801 HydrophobicContact CB-CD1 4.35Å; A782-L801 HydrophobicContact CB-CD2 4.33Å; A783-L801 HydrophobicContact CB-CD1 3.9Å; V799-L801 HydrophobicContact CG1-CD1 4.28Å; V799-L801 HydrophobicContact CG1-CG 4.14Å; L801-P808 HydrophobicContact CD2-CB 4.3Å; L801-R809 CarbonylContact C-O 3.57Å; L801-R809 WeakPolarHBondContact CA-O 2.84Å; L801-L810 HydrophobicContact CD2-CB 4.29Å; L801-L810 HydrophobicContact CD2-CD1 4.25Å
802	K	97.6	Very high	96.7	Very high	21 Å²	21	25.4 Å²	25.4	9%	0.091	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.9	162	-80.8	-172.8	-172.8	-69.5	0	111	V728 T731 E732 T804 P808 R809 I811	V728-K802 HydrophobicContact CB-CB 4.46Å; V728-K802 HydrophobicContact CB-CD 4.06Å; V728-K802 HydrophobicContact CG1-CB 3.63Å; V728-K802 HydrophobicContact CG1-CD 4.02Å; V728-K802 HydrophobicContact CG1-CG 4.42Å; V728-K802 WeakPolarHBondContact O-CD 3.44Å; T731-K802 CarbonylContact O-C 3.5Å; T731-K802 VanDerWaalsContact O-CA 3.22Å; T731-K802 WeakPolarHBondContact O-CA 3.48Å; E732-K802 HydrophobicContact CB-CG 4.22Å; E732-K802 HydrophobicContact CG-CG 4.36Å; E732-K802 WeakPolarHBondContact OE2-CE 3.25Å; E732-K802 IonicContact OE2-NZ 3.61Å; E732-K802 PolarHBondContact OE2-NZ 3.43Å; K802-T804 PolarHBondContact O-N 2.91Å; K802-P808 CarbonylContact O-C 3.59Å; K802-P808 WeakPolarHBondContact O-CA 3.1Å; K802-R809 PolarHBondContact N-O 3.42Å; K802-R809 PolarHBondContact O-N 2.83Å; K802-I811 HydrophobicContact CB-CD1 4.31Å; K802-I811 HydrophobicContact CD-CD1 4.09Å; K802-I811 HydrophobicContact CG-CD1 3.96Å; K802-I811 HydrophobicContact CG-CG1 4.14Å
803	L	97.6	Very high	96.7	Very high	15 Å²	15	25.7 Å²	25.7	8%	0.079	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	107.9	169.9	-176.1	63.4	0	0	0	109.2	G730 T731 L771 Q775 M779 P808	G730-L803 VanDerWaalsContact CA-O 3.28Å; G730-L803 WeakPolarHBondContact CA-O 3.47Å; T731-L803 PolarHBondContact N-O 3.29Å; T731-L803 PolarHBondContact O-N 2.98Å; L771-L803 HydrophobicContact CD1-CD2 4.09Å; L771-L803 HydrophobicContact CD2-CD2 3.45Å; L771-L803 VanDerWaalsContact CD2-CD2 3.45Å; L771-L803 HydrophobicContact CG-CD2 4.42Å; Q775-L803 HydrophobicContact CB-CD2 4.08Å; Q775-L803 HydrophobicContact CG-CD2 4.2Å; M779-L803 HydrophobicContact SD-CB 4.1Å; M779-L803 HydrophobicContact SD-CD1 4.11Å; L803-P808 HydrophobicContact CD1-CG 4.15Å
804	T	96.9	Very high	96.7	Very high	28 Å²	28	22.8 Å²	22.8	17%	0.172	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	171.7	178	78.9	0	0	0	0	110.9	V728 E729 K802 A806 G807 R809	V728-T804 HydrophobicContact CG1-CG2 3.5Å; V728-T804 VanDerWaalsContact CG1-CG2 3.5Å; E729-T804 WeakPolarHBondContact O-CG2 3.48Å; K802-T804 PolarHBondContact O-N 2.91Å; T804-A806 PolarHBondContact O-N 3.49Å; T804-A806 VanDerWaalsContact O-N 3.13Å; T804-A806 PolarHBondContact OG1-N 3.44Å; T804-G807 WeakPolarHBondContact CB-O 3.49Å; T804-G807 PolarHBondContact N-O 3.11Å; T804-G807 VanDerWaalsContact N-O 3.12Å; T804-G807 PolarHBondContact O-N 3.25Å; T804-G807 PolarHBondContact OG1-N 3.31Å; T804-G807 PolarHBondContact OG1-O 3.19Å; T804-R809 HydrophobicContact CG2-CB 4.3Å; T804-R809 HydrophobicContact CG2-CG 3.83Å
805	G	94.1	Very high	96.7	Very high	96 Å²	96	20.7 Å²	20.7	99%	0.99	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.8	169.4	0	0	0	0	0	114.3
806	A	93	Very high	96.6	Very high	75 Å²	75	21.9 Å²	21.9	62%	0.62	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	13.9	176.6	0	0	0	0	0	113.2	T804 R809	T804-A806 PolarHBondContact O-N 3.49Å; T804-A806 VanDerWaalsContact O-N 3.13Å; T804-A806 PolarHBondContact OG1-N 3.44Å; A806-R809 PolarHBondContact O-NH1 2.87Å
807	G	96.4	Very high	96.3	Very high	12 Å²	12	22.1 Å²	22.1	12%	0.124	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.9	-173.4	-179.3	0	0	0	0	0	114.4	T804	T804-G807 WeakPolarHBondContact CB-O 3.49Å; T804-G807 PolarHBondContact N-O 3.11Å; T804-G807 VanDerWaalsContact N-O 3.12Å; T804-G807 PolarHBondContact O-N 3.25Å; T804-G807 PolarHBondContact OG1-N 3.31Å; T804-G807 PolarHBondContact OG1-O 3.19Å
808	P	98.1	Very high	95.9	Very high	7 Å²	7	22.4 Å²	22.4	5%	0.045	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	140.9	-173.8	-21.6	33.2	0	0	0	113.5	H648 Q778 M779 A782 L801 K802 L803	H648-P808 PolarHBondContact ND1-O 3.36Å; H648-P808 VanDerWaalsContact ND1-O 3.14Å; Q778-P808 HydrophobicContact CB-CG 4.01Å; M779-P808 HydrophobicContact CG-CG 4.39Å; M779-P808 HydrophobicContact SD-CB 3.62Å; M779-P808 HydrophobicContact SD-CG 3.57Å; M779-P808 VanDerWaalsContact SD-CG 3.57Å; A782-P808 HydrophobicContact CB-CB 3.68Å; A782-P808 HydrophobicContact CB-CG 4.08Å; L801-P808 HydrophobicContact CD2-CB 4.3Å; K802-P808 CarbonylContact O-C 3.59Å; K802-P808 WeakPolarHBondContact O-CA 3.1Å; L803-P808 HydrophobicContact CD1-CG 4.15Å
809	R	98.3	Very high	95.3	Very high	63 Å²	63	23 Å²	23	24%	0.238	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132	173.9	-68.5	-62.4	-178.3	-80.8	-3.5	110.9	L647 H648 V650 V728 L801 K802 T804 A806	L647-R809 VanDerWaalsContact O-CZ 3.26Å; L647-R809 PolarHBondContact O-NH1 2.85Å; H648-R809 CarbonylContact O-C 3.55Å; H648-R809 VanDerWaalsContact O-CA 3.27Å; H648-R809 WeakPolarHBondContact O-CA 3.34Å; H648-R809 WeakPolarHBondContact O-CD 3.44Å; V650-R809 HydrophobicContact CG1-CB 4.32Å; V650-R809 HydrophobicContact CG1-CG 4.35Å; V728-R809 HydrophobicContact CG1-CB 3.7Å; V728-R809 HydrophobicContact CG1-CG 4.12Å; V728-R809 HydrophobicContact CG2-CB 4.36Å; L801-R809 CarbonylContact C-O 3.57Å; L801-R809 WeakPolarHBondContact CA-O 2.84Å; K802-R809 PolarHBondContact N-O 3.42Å; K802-R809 PolarHBondContact O-N 2.83Å; T804-R809 HydrophobicContact CG2-CB 4.3Å; T804-R809 HydrophobicContact CG2-CG 3.83Å; A806-R809 PolarHBondContact O-NH1 2.87Å
810	L	98.4	Very high	94.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130.9	-176.7	-175.9	69.1	0	0	0	110.8	T630 Q631 L634 H648 C786 V799 L801 E812 I813	T630-L810 HydrophobicContact CG2-CD2 3.71Å; Q631-L810 PolarHBondContact NE2-O 3.27Å; L634-L810 HydrophobicContact CD1-CD2 3.52Å; H648-L810 PolarHBondContact O-N 2.89Å; C786-L810 HydrophobicContact CB-CD1 4.41Å; C786-L810 HydrophobicContact CB-CD2 4.33Å; V799-L810 HydrophobicContact CG1-CD1 3.43Å; V799-L810 VanDerWaalsContact CG1-CD1 3.43Å; L801-L810 HydrophobicContact CD2-CB 4.29Å; L801-L810 HydrophobicContact CD2-CD1 4.25Å; L810-E812 WeakPolarHBondContact CD1-O 3.33Å; L810-I813 HydrophobicContact CD1-CG1 3.86Å; L810-I813 HydrophobicContact CD2-CD1 4.27Å; L810-I813 HydrophobicContact CD2-CG1 4.15Å
811	I	96.9	Very high	94.4	Very high	18 Å²	18	24.5 Å²	24.5	9%	0.092	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-51.8	168.3	-56.6	-56.1	0	0	0	109.5	K675 M725 V728 E800 K802	K675-I811 PolarHBondContact NZ-O 3.24Å; K675-I811 VanDerWaalsContact NZ-O 3.16Å; M725-I811 HydrophobicContact CE-CD1 4.34Å; V728-I811 HydrophobicContact CB-CD1 4.33Å; V728-I811 HydrophobicContact CG2-CD1 4.46Å; E800-I811 HydrophobicContact CB-CB 4.05Å; E800-I811 WeakPolarHBondContact O-CB 3.36Å; E800-I811 PolarHBondContact O-N 2.77Å; K802-I811 HydrophobicContact CB-CD1 4.31Å; K802-I811 HydrophobicContact CD-CD1 4.09Å; K802-I811 HydrophobicContact CG-CD1 3.96Å; K802-I811 HydrophobicContact CG-CG1 4.14Å
812	E	96.1	Very high	94.1	Very high	23 Å²	23	24.8 Å²	24.8	11%	0.107	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	167	175.1	54.5	-161.7	-109.8	0	0	113.5	K627 K675 E800 L810	K627-E812 VanDerWaalsContact CE-CD 3.45Å; K627-E812 WeakPolarHBondContact CE-OE1 3.23Å; K627-E812 WeakPolarHBondContact CE-OE2 3.47Å; K627-E812 HydrophobicContact CG-CB 4.43Å; K627-E812 IonicContact NZ-OE1 3.56Å; K675-E812 IonicContact NZ-OE2 3.65Å; K675-E812 PolarHBondContact NZ-OE2 2.89Å; E800-E812 HydrophobicContact CB-CG 4.01Å; E800-E812 HydrophobicContact CG-CG 3.95Å; E800-E812 PolarHBondContact N-O 2.95Å; E800-E812 PolarHBondContact O-N 2.75Å; E800-E812 WeakPolarHBondContact OE2-CG 3.42Å; L810-E812 WeakPolarHBondContact CD1-O 3.33Å
813	I	97.1	Very high	93.9	Very high	5 Å²	5	24.9 Å²	24.9	3%	0.026	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119.9	173.1	-58.1	175.2	0	0	0	107.2	A624 T630 C786 L792 V799 L810 P815	A624-I813 HydrophobicContact CB-CG2 4.37Å; T630-I813 HydrophobicContact CG2-CD1 4.01Å; T630-I813 HydrophobicContact CG2-CG1 4.39Å; C786-I813 HydrophobicContact CB-CD1 3.99Å; L792-I813 HydrophobicContact CD1-CG2 3.77Å; V799-I813 HydrophobicContact CG1-CG1 4.23Å; V799-I813 HydrophobicContact CG2-CG2 4.38Å; L810-I813 HydrophobicContact CD1-CG1 3.86Å; L810-I813 HydrophobicContact CD2-CD1 4.27Å; L810-I813 HydrophobicContact CD2-CG1 4.15Å; I813-P815 WeakPolarHBondContact O-CD 3.21Å
814	N	95.1	Very high	93.7	Very high	11 Å²	11	26.4 Å²	26.4	6%	0.059	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	110.1	171.3	-65.8	-59.5	0	0	0	108.3	N798 E800 R816	N798-N814 HydrophobicContact CB-CB 4.18Å; N798-N814 PolarHBondContact N-O 3.38Å; N798-N814 WeakPolarHBondContact O-CA 3.48Å; N798-N814 WeakPolarHBondContact O-CB 3.42Å; N798-N814 PolarHBondContact O-N 2.97Å; N798-N814 PolarHBondContact OD1-ND2 3.46Å; E800-N814 PolarHBondContact OE1-ND2 3.42Å; N814-R816 HydrophobicContact CB-CG 4.41Å; N814-R816 PolarHBondContact O-N 3.2Å
815	P	93.8	Very high	93.6	Very high	7 Å²	7	25.2 Å²	25.2	5%	0.045	16%	0.163	C	C	.	.	S	Bend	trans	-78.2	44.5	-174.2	25.1	-21.5	0	0	0	114.9	L601 M621 A624 F797 I813	L601-P815 HydrophobicContact CD1-CB 4.23Å; L601-P815 HydrophobicContact CD1-CG 3.63Å; M621-P815 HydrophobicContact CE-CB 4.39Å; M621-P815 HydrophobicContact SD-CB 3.67Å; M621-P815 HydrophobicContact SD-CG 4.21Å; A624-P815 HydrophobicContact CB-CB 4.43Å; A624-P815 HydrophobicContact CB-CG 4.02Å; F797-P815 HydrophobicContact CD1-CB 4.17Å; F797-P815 HydrophobicContact CE1-CB 4.17Å; I813-P815 WeakPolarHBondContact O-CD 3.21Å
816	R	93.4	Very high	93.7	Very high	38 Å²	38	20.7 Å²	20.7	14%	0.143	12%	0.116	C	C	.	.	S	Bend	trans	-155.7	174.7	-177.7	54.7	167.9	175.4	83.6	1.4	109.7	Y596 D598 L601 V796 F797 N798 N814	Y596-R816 WeakPolarHBondContact O-CD 3.36Å; D598-R816 IonicContact OD1-CZ 2.77Å; D598-R816 IonicContact OD1-NE 2.72Å; D598-R816 PolarHBondContact OD1-NE 3.37Å; D598-R816 IonicContact OD1-NH2 3.18Å; L601-R816 HydrophobicContact CD1-CB 4.01Å; L601-R816 HydrophobicContact CD1-CG 3.98Å; L601-R816 HydrophobicContact CD2-CB 4.24Å; V796-R816 CarbonylContact O-C 3.42Å; V796-R816 WeakPolarHBondContact O-CA 3.46Å; V796-R816 PolarHBondContact O-N 2.83Å; F797-R816 CarbonylContact C-O 3.58Å; F797-R816 WeakPolarHBondContact CA-O 3.46Å; N798-R816 PolarHBondContact N-O 3.15Å; N814-R816 HydrophobicContact CB-CG 4.41Å; N814-R816 PolarHBondContact O-N 3.2Å
817	M	91.4	Very high	93.6	Very high	11 Å²	11	18.4 Å²	18.4	5%	0.054	9%	0.094	C	C	.	.	S	Bend	trans	-60.3	148.8	169.2	64.4	-178.5	-179.6	0	0	112.4	F531 V532 Y596 V796 R823 L835	F531-M817 HydrophobicContact CE2-CE 3.97Å; F531-M817 HydrophobicContact CZ-CE 3.74Å; V532-M817 HydrophobicContact CG2-CE 4.15Å; Y596-M817 HydrophobicContact CG-CE 4.26Å; V796-M817 HydrophobicContact CG1-CB 3.96Å; M817-R823 HydrophobicContact SD-CG 4.28Å; M817-L835 HydrophobicContact CE-CD1 4.08Å; M817-L835 HydrophobicContact SD-CB 4.27Å; M817-L835 HydrophobicContact SD-CD1 4.22Å
818	G	87.4	Confident	93.4	Very high	6 Å²	6	20.7 Å²	20.7	6%	0.062	10%	0.101	C	C	.	.			trans	-54	147.1	176.9	0	0	0	0	0	113.6	D736	D736-G818 WeakPolarHBondContact OD1-CA 3.41Å; D736-G818 PolarHBondContact OD1-N 3.07Å
819	G	85.8	Confident	93	Very high	17 Å²	17	20.7 Å²	20.7	18%	0.175	10%	0.101	C	C	.	.	S	Bend	trans	-75.4	-171.6	178.8	0	0	0	0	0	113.5	Y821 L822	G819-Y821 PolarHBondContact O-N 3.19Å; G819-Y821 VanDerWaalsContact O-N 3.12Å; G819-L822 PolarHBondContact O-N 3.03Å
820	F	85.5	Confident	92.6	Very high	57 Å²	57	18.3 Å²	18.3	25%	0.25	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-113.9	172.9	-52.3	-56.6	0	0	0	113.9	E762 M863 L896	E762-F820 WeakPolarHBondContact OE1-CE2 3.19Å; F820-M863 HydrophobicContact CB-CE 4.29Å; F820-M863 HydrophobicContact CD1-CE 4.31Å; F820-M863 HydrophobicContact CD2-CE 3.73Å; F820-M863 HydrophobicContact CE2-CE 4.09Å; F820-M863 HydrophobicContact CG-CE 3.86Å; F820-L896 HydrophobicContact CD1-CD1 3.43Å; F820-L896 VanDerWaalsContact CD1-CD1 3.43Å; F820-L896 HydrophobicContact CD1-CD2 3.58Å; F820-L896 HydrophobicContact CD1-CG 4.1Å; F820-L896 HydrophobicContact CE1-CD1 3.7Å; F820-L896 HydrophobicContact CE1-CD2 4.32Å
821	Y	90.4	Very high	92	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.016	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-7.7	-173.9	46.8	-99.1	0	0	0	113.6	A765 G819 R823 D824 W825 M863 S911	A765-Y821 HydrophobicContact CB-CE2 3.77Å; A765-Y821 WeakPolarHBondContact CB-OH 3.49Å; G819-Y821 PolarHBondContact O-N 3.19Å; G819-Y821 VanDerWaalsContact O-N 3.12Å; Y821-R823 PolarHBondContact O-N 2.94Å; Y821-D824 PolarHBondContact O-N 3.18Å; Y821-W825 HydrophobicContact CD1-CZ2 4.37Å; Y821-W825 AromaticContact CD2-CD2 3.45Å; Y821-W825 HydrophobicContact CD2-CD2 3.45Å; Y821-W825 VanDerWaalsContact CD2-CD2 3.45Å; Y821-W825 AromaticContact CD2-CE2 3.43Å; Y821-W825 VanDerWaalsContact CD2-CE2 3.43Å; Y821-W825 AromaticContact CD2-CE3 3.61Å; Y821-W825 HydrophobicContact CD2-CE3 3.61Å; Y821-W825 HydrophobicContact CD2-CG 4.03Å; Y821-W825 AromaticContact CD2-CH2 3.77Å; Y821-W825 HydrophobicContact CD2-CH2 3.77Å; Y821-W825 AromaticContact CD2-CZ2 3.57Å; Y821-W825 HydrophobicContact CD2-CZ2 3.57Å; Y821-W825 AromaticContact CD2-CZ3 3.79Å; Y821-W825 HydrophobicContact CD2-CZ3 3.79Å; Y821-W825 AromaticContact CD2-NE1 3.98Å; Y821-W825 HydrophobicContact CE2-CD2 4.2Å; Y821-W825 AromaticContact CE2-CE3 3.88Å; Y821-W825 HydrophobicContact CE2-CE3 3.88Å; Y821-W825 AromaticContact CE2-CH2 3.72Å; Y821-W825 HydrophobicContact CE2-CH2 3.72Å; Y821-W825 HydrophobicContact CE2-CZ2 4Å; Y821-W825 AromaticContact CE2-CZ3 3.67Å; Y821-W825 HydrophobicContact CE2-CZ3 3.67Å; Y821-W825 HydrophobicContact CG-CD2 4.16Å; Y821-W825 AromaticContact CG-CE2 3.71Å; Y821-W825 HydrophobicContact CG-CH2 4.38Å; Y821-W825 AromaticContact CG-CZ2 3.81Å; Y821-W825 HydrophobicContact CG-CZ2 3.81Å; Y821-W825 AromaticContact CG-NE1 3.9Å; Y821-W825 PolarHBondContact O-N 3.12Å; Y821-M863 HydrophobicContact CD1-CE 4.45Å; Y821-M863 HydrophobicContact CE1-CE 3.49Å; Y821-M863 VanDerWaalsContact CE1-CE 3.49Å; Y821-M863 HydrophobicContact CE1-SD 4.04Å; Y821-S911 WeakPolarHBondContact CD1-OG 2.93Å
822	L	93.9	Very high	91.7	Very high	6 Å²	6	18 Å²	18	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-56.9	-46.9	-168	-68.3	173.6	0	0	0	112.1	D734 S750 M767 G819 D824 W825 I826	D734-L822 HydrophobicContact CB-CD1 4.21Å; S750-L822 WeakPolarHBondContact OG-CD2 3.32Å; M767-L822 HydrophobicContact CE-CD2 3.8Å; G819-L822 PolarHBondContact O-N 3.03Å; L822-D824 VanDerWaalsContact C-N 3.34Å; L822-D824 PolarHBondContact O-N 3.16Å; L822-W825 PolarHBondContact O-N 3.08Å; L822-I826 WeakPolarHBondContact O-CB 3.18Å; L822-I826 WeakPolarHBondContact O-CD1 2.95Å; L822-I826 WeakPolarHBondContact O-CG1 3.43Å; L822-I826 PolarHBondContact O-N 2.66Å
823	R	93.1	Very high	91.6	Very high	23 Å²	23	17.4 Å²	17.4	9%	0.087	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-44.6	176.5	178.4	-90.6	178.9	-173.4	0.1	112.5	M817 Y821 L827 D833 L834	M817-R823 HydrophobicContact SD-CG 4.28Å; Y821-R823 PolarHBondContact O-N 2.94Å; R823-L827 WeakPolarHBondContact O-CB 3.29Å; R823-L827 PolarHBondContact O-N 2.85Å; R823-D833 IonicContact CZ-OD1 3.14Å; R823-D833 IonicContact NE-OD1 3Å; R823-D833 IonicContact NH2-OD1 3.36Å; R823-D833 PolarHBondContact NH2-OD1 3.07Å; R823-D833 IonicContact NH2-OD2 3.56Å; R823-L834 HydrophobicContact CG-CB 4.33Å
824	D	92.6	Very high	91.5	Very high	48 Å²	48	17.1 Å²	17.1	26%	0.257	9%	0.089	S	C	.	.	H	α-helix	trans	-74.3	-36.9	-176.1	-66.5	-29	0	0	0	111.6	Y821 L822 L827 E828 N894	Y821-D824 PolarHBondContact O-N 3.18Å; L822-D824 VanDerWaalsContact C-N 3.34Å; L822-D824 PolarHBondContact O-N 3.16Å; D824-L827 WeakPolarHBondContact O-CB 3.14Å; D824-L827 PolarHBondContact O-N 3.46Å; D824-E828 WeakPolarHBondContact O-CB 3.11Å; D824-E828 PolarHBondContact O-N 3.17Å; D824-N894 PolarHBondContact OD2-ND2 3.28Å
825	W	95.6	Very high	91.5	Very high	3 Å²	3	16.7 Å²	16.7	1%	0.011	9%	0.086	C	C	.	.	H	α-helix	trans	-66.4	-41.2	174	-73.1	18.9	0	0	0	111.2	A765 M767 Y821 L822 L827 E828 L829 L859 A913	A765-W825 HydrophobicContact CB-CH2 4.09Å; A765-W825 HydrophobicContact CB-CZ3 4.04Å; M767-W825 HydrophobicContact CB-CE3 3.56Å; M767-W825 HydrophobicContact CB-CZ3 4.09Å; M767-W825 HydrophobicContact CE-CB 4.41Å; M767-W825 HydrophobicContact SD-CB 3.77Å; Y821-W825 HydrophobicContact CD1-CZ2 4.37Å; Y821-W825 AromaticContact CD2-CD2 3.45Å; Y821-W825 HydrophobicContact CD2-CD2 3.45Å; Y821-W825 VanDerWaalsContact CD2-CD2 3.45Å; Y821-W825 AromaticContact CD2-CE2 3.43Å; Y821-W825 VanDerWaalsContact CD2-CE2 3.43Å; Y821-W825 AromaticContact CD2-CE3 3.61Å; Y821-W825 HydrophobicContact CD2-CE3 3.61Å; Y821-W825 HydrophobicContact CD2-CG 4.03Å; Y821-W825 AromaticContact CD2-CH2 3.77Å; Y821-W825 HydrophobicContact CD2-CH2 3.77Å; Y821-W825 AromaticContact CD2-CZ2 3.57Å; Y821-W825 HydrophobicContact CD2-CZ2 3.57Å; Y821-W825 AromaticContact CD2-CZ3 3.79Å; Y821-W825 HydrophobicContact CD2-CZ3 3.79Å; Y821-W825 AromaticContact CD2-NE1 3.98Å; Y821-W825 HydrophobicContact CE2-CD2 4.2Å; Y821-W825 AromaticContact CE2-CE3 3.88Å; Y821-W825 HydrophobicContact CE2-CE3 3.88Å; Y821-W825 AromaticContact CE2-CH2 3.72Å; Y821-W825 HydrophobicContact CE2-CH2 3.72Å; Y821-W825 HydrophobicContact CE2-CZ2 4Å; Y821-W825 AromaticContact CE2-CZ3 3.67Å; Y821-W825 HydrophobicContact CE2-CZ3 3.67Å; Y821-W825 HydrophobicContact CG-CD2 4.16Å; Y821-W825 AromaticContact CG-CE2 3.71Å; Y821-W825 HydrophobicContact CG-CH2 4.38Å; Y821-W825 AromaticContact CG-CZ2 3.81Å; Y821-W825 HydrophobicContact CG-CZ2 3.81Å; Y821-W825 AromaticContact CG-NE1 3.9Å; Y821-W825 PolarHBondContact O-N 3.12Å; L822-W825 PolarHBondContact O-N 3.08Å; W825-L827 VanDerWaalsContact C-N 3.28Å; W825-L827 PolarHBondContact O-N 2.88Å; W825-E828 PolarHBondContact O-N 3.15Å; W825-L829 VanDerWaalsContact O-CB 3.27Å; W825-L829 WeakPolarHBondContact O-CB 3.48Å; W825-L829 WeakPolarHBondContact O-CG 3.25Å; W825-L829 PolarHBondContact O-N 3.39Å; W825-L859 HydrophobicContact CB-CD1 3.85Å; W825-L859 HydrophobicContact CD2-CB 3.79Å; W825-L859 HydrophobicContact CD2-CD1 3.91Å; W825-L859 HydrophobicContact CD2-CG 4.46Å; W825-L859 HydrophobicContact CE3-CB 3.92Å; W825-L859 HydrophobicContact CG-CB 4.3Å; W825-L859 HydrophobicContact CG-CD1 3.5Å; W825-L859 VanDerWaalsContact CG-CD1 3.5Å; W825-L859 HydrophobicContact CH2-CB 4.43Å; W825-L859 HydrophobicContact CZ2-CB 4.35Å; W825-L859 HydrophobicContact CZ3-CB 4.22Å; W825-A913 HydrophobicContact CH2-CB 4.35Å; W825-A913 HydrophobicContact CZ2-CB 3.42Å; W825-A913 VanDerWaalsContact CZ2-CB 3.42Å
826	I	95.1	Very high	91.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.4	-41.9	175.8	-70.3	166	0	0	0	110.3	D736 F748 M767 L822 Y830 G831 V832 L834	D736-I826 HydrophobicContact CB-CD1 3.81Å; F748-I826 HydrophobicContact CB-CD1 3.7Å; F748-I826 HydrophobicContact CB-CG1 3.91Å; F748-I826 HydrophobicContact CD1-CG1 4.33Å; F748-I826 HydrophobicContact CD1-CG2 3.87Å; F748-I826 HydrophobicContact CD2-CD1 3.87Å; F748-I826 HydrophobicContact CD2-CG1 4.3Å; F748-I826 HydrophobicContact CD2-CG2 3.81Å; F748-I826 HydrophobicContact CE1-CG2 3.8Å; F748-I826 HydrophobicContact CE2-CG2 3.78Å; F748-I826 HydrophobicContact CG-CD1 3.84Å; F748-I826 HydrophobicContact CG-CG1 3.91Å; F748-I826 HydrophobicContact CG-CG2 3.87Å; F748-I826 HydrophobicContact CZ-CG2 3.78Å; M767-I826 HydrophobicContact CE-CD1 4.2Å; M767-I826 HydrophobicContact CE-CG1 3.74Å; M767-I826 HydrophobicContact SD-CG1 3.67Å; L822-I826 WeakPolarHBondContact O-CB 3.18Å; L822-I826 WeakPolarHBondContact O-CD1 2.95Å; L822-I826 WeakPolarHBondContact O-CG1 3.43Å; L822-I826 PolarHBondContact O-N 2.66Å; I826-Y830 HydrophobicContact CB-CD2 4.44Å; I826-Y830 HydrophobicContact CG2-CD2 4.25Å; I826-Y830 WeakPolarHBondContact O-CA 3.14Å; I826-Y830 WeakPolarHBondContact O-CB 3.39Å; I826-Y830 PolarHBondContact O-N 3.25Å; I826-G831 PolarHBondContact O-N 3.48Å; I826-V832 HydrophobicContact CG2-CB 4.13Å; I826-V832 HydrophobicContact CG2-CG1 4.47Å; I826-L834 HydrophobicContact CD1-CD1 3.53Å; I826-L834 HydrophobicContact CD1-CG 4.4Å; I826-L834 HydrophobicContact CG2-CD1 4.42Å; I826-L834 HydrophobicContact CG2-CG 4.14Å
827	L	91.5	Very high	91.6	Very high	28 Å²	28	15 Å²	15	15%	0.147	8%	0.08	C	C	.	.	H	α-helix	trans	-62.6	-46.3	175.8	-169.9	61	0	0	0	112.5	R823 D824 W825 G831 V832 D833	R823-L827 WeakPolarHBondContact O-CB 3.29Å; R823-L827 PolarHBondContact O-N 2.85Å; D824-L827 WeakPolarHBondContact O-CB 3.14Å; D824-L827 PolarHBondContact O-N 3.46Å; W825-L827 VanDerWaalsContact C-N 3.28Å; W825-L827 PolarHBondContact O-N 2.88Å; L827-G831 WeakPolarHBondContact O-CA 3.39Å; L827-G831 PolarHBondContact O-N 2.66Å; L827-V832 WeakPolarHBondContact CA-O 3.41Å; L827-D833 HydrophobicContact CD1-CB 3.7Å
828	E	91.1	Very high	91.8	Very high	59 Å²	59	15.5 Å²	15.5	28%	0.276	9%	0.086	S	C	.	.	H	α-helix	trans	-68.1	-48.1	-179	-179.1	166.8	165.6	0	0	112	D824 W825 L859 R892	D824-E828 WeakPolarHBondContact O-CB 3.11Å; D824-E828 PolarHBondContact O-N 3.17Å; W825-E828 PolarHBondContact O-N 3.15Å; E828-L859 HydrophobicContact CB-CD1 4.44Å; E828-L859 HydrophobicContact CG-CD1 4.47Å; E828-R892 IonicContact OE1-CZ 3.35Å; E828-R892 IonicContact OE1-NE 3.51Å; E828-R892 PolarHBondContact OE1-NE 2.93Å; E828-R892 VanDerWaalsContact OE1-NE 3.14Å; E828-R892 IonicContact OE1-NH2 3.37Å; E828-R892 PolarHBondContact OE1-NH2 2.77Å; E828-R892 WeakPolarHBondContact OE2-CD 3.43Å; E828-R892 IonicContact OE2-CZ 3.6Å; E828-R892 IonicContact OE2-NE 3.44Å; E828-R892 PolarHBondContact OE2-NE 3.4Å; E828-R892 IonicContact OE2-NH2 2.86Å
829	L	91.1	Very high	92.2	Very high	7 Å²	7	15.3 Å²	15.3	4%	0.037	8%	0.083	C	C	.	.	H	α-helix	trans	-78.9	-39.3	-172.6	-66.4	177.5	0	0	0	112.8	M767 W825 A855 R856 G857 L859	M767-L829 HydrophobicContact CB-CD1 3.81Å; M767-L829 HydrophobicContact CG-CD1 3.64Å; M767-L829 VanDerWaalsContact O-CD1 3.27Å; M767-L829 WeakPolarHBondContact O-CD1 3.39Å; M767-L829 HydrophobicContact SD-CD1 4.01Å; W825-L829 VanDerWaalsContact O-CB 3.27Å; W825-L829 WeakPolarHBondContact O-CB 3.48Å; W825-L829 WeakPolarHBondContact O-CG 3.25Å; W825-L829 PolarHBondContact O-N 3.39Å; L829-A855 HydrophobicContact CB-CB 4.33Å; L829-A855 WeakPolarHBondContact O-CA 3.33Å; L829-R856 WeakPolarHBondContact O-CG 3.45Å; L829-R856 PolarHBondContact O-N 2.71Å; L829-G857 WeakPolarHBondContact CD2-O 3.49Å; L829-L859 HydrophobicContact CD1-CB 4.3Å; L829-L859 HydrophobicContact CD1-CD1 4.02Å; L829-L859 HydrophobicContact CD1-CG 4.3Å; L829-L859 HydrophobicContact CD2-CD1 4.12Å; L829-L859 HydrophobicContact CD2-CG 4.13Å; L829-L859 HydrophobicContact CG-CD1 3.84Å; L829-L859 HydrophobicContact CG-CG 4.31Å
830	Y	88.9	Confident	92.7	Very high	13 Å²	13	14.7 Å²	14.7	5%	0.051	8%	0.076	C	C	.	.	H	α-helix	trans	-113.6	-10.8	-172.4	-56.6	-84.3	0	0	0	113.7	F748 M767 P768 I826 V832 P853 R854 A855	F748-Y830 HydrophobicContact CD1-CD1 4.13Å; F748-Y830 AromaticContact CD1-CD2 3.51Å; F748-Y830 HydrophobicContact CD1-CD2 3.51Å; F748-Y830 HydrophobicContact CD1-CE1 4.21Å; F748-Y830 AromaticContact CD1-CE2 3.63Å; F748-Y830 HydrophobicContact CD1-CE2 3.63Å; F748-Y830 AromaticContact CD1-CG 3.76Å; F748-Y830 HydrophobicContact CD1-CG 3.76Å; F748-Y830 AromaticContact CD1-CZ 3.95Å; F748-Y830 HydrophobicContact CE1-CD1 4.06Å; F748-Y830 AromaticContact CE1-CD2 3.79Å; F748-Y830 HydrophobicContact CE1-CD2 3.79Å; F748-Y830 HydrophobicContact CE1-CE2 4.34Å; F748-Y830 AromaticContact CE1-CG 3.61Å; F748-Y830 HydrophobicContact CE1-CG 3.61Å; F748-Y830 HydrophobicContact CG-CE2 4.5Å; M767-Y830 HydrophobicContact CG-CE2 4.12Å; M767-Y830 HydrophobicContact SD-CE2 3.87Å; P768-Y830 VanDerWaalsContact CB-OH 3.3Å; P768-Y830 WeakPolarHBondContact CB-OH 3.39Å; I826-Y830 HydrophobicContact CB-CD2 4.44Å; I826-Y830 HydrophobicContact CG2-CD2 4.25Å; I826-Y830 WeakPolarHBondContact O-CA 3.14Å; I826-Y830 WeakPolarHBondContact O-CB 3.39Å; I826-Y830 PolarHBondContact O-N 3.25Å; Y830-V832 PolarHBondContact O-N 3.38Å; Y830-P853 HydrophobicContact CD1-CB 3.78Å; Y830-P853 HydrophobicContact CD1-CG 4.32Å; Y830-P853 HydrophobicContact CG-CB 4.24Å; Y830-R854 VanDerWaalsContact CD1-C 3.48Å; Y830-A855 HydrophobicContact CD1-CB 4.21Å; Y830-A855 HydrophobicContact CE1-CB 3.67Å
831	G	87.1	Confident	93.2	Very high	9 Å²	9	12.4 Å²	12.4	9%	0.093	7%	0.067	C	C	.	.			trans	71.3	14.7	-176.2	0	0	0	0	0	114.5	E503 I826 L827	E503-G831 VanDerWaalsContact OE1-CA 3.32Å; E503-G831 WeakPolarHBondContact OE1-CA 3.3Å; I826-G831 PolarHBondContact O-N 3.48Å; L827-G831 WeakPolarHBondContact O-CA 3.39Å; L827-G831 PolarHBondContact O-N 2.66Å
832	V	90.4	Very high	93.4	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.018	7%	0.069	C	C	.	.			trans	-99.6	119.3	-177.9	173.1	0	0	0	0	110.6	F748 I826 L827 Y830 L834 L849 P850 P853	F748-V832 HydrophobicContact CE1-CB 4.33Å; F748-V832 HydrophobicContact CE1-CG2 4.33Å; F748-V832 HydrophobicContact CE2-CB 4.45Å; F748-V832 HydrophobicContact CE2-CG1 4.03Å; F748-V832 HydrophobicContact CZ-CB 3.68Å; F748-V832 HydrophobicContact CZ-CG1 3.68Å; F748-V832 HydrophobicContact CZ-CG2 3.83Å; I826-V832 HydrophobicContact CG2-CB 4.13Å; I826-V832 HydrophobicContact CG2-CG1 4.47Å; L827-V832 WeakPolarHBondContact CA-O 3.41Å; Y830-V832 PolarHBondContact O-N 3.38Å; V832-L834 HydrophobicContact CG1-CD2 4.25Å; V832-L834 PolarHBondContact O-N 2.77Å; V832-L849 HydrophobicContact CG1-CD1 4.28Å; V832-L849 HydrophobicContact CG1-CD2 3.89Å; V832-P850 HydrophobicContact CG2-CG 4.46Å; V832-P853 HydrophobicContact CG2-CB 4.49Å
833	D	92.9	Very high	93.5	Very high	10 Å²	10	13 Å²	13	5%	0.053	7%	0.073	C	C	.	.			trans	-90.7	94.3	178.3	-164.5	-16.3	0	0	0	110.9	Y539 R823 L827 L835 L836 A837	Y539-D833 WeakPolarHBondContact CE1-OD2 3.26Å; Y539-D833 PolarHBondContact OH-OD1 2.86Å; Y539-D833 PolarHBondContact OH-OD2 2.9Å; R823-D833 IonicContact CZ-OD1 3.14Å; R823-D833 IonicContact NE-OD1 3Å; R823-D833 IonicContact NH2-OD1 3.36Å; R823-D833 PolarHBondContact NH2-OD1 3.07Å; R823-D833 IonicContact NH2-OD2 3.56Å; L827-D833 HydrophobicContact CD1-CB 3.7Å; D833-L835 PolarHBondContact O-N 2.74Å; D833-L835 PolarHBondContact OD1-N 3.01Å; D833-L836 HydrophobicContact CB-CB 3.86Å; D833-L836 PolarHBondContact O-N 2.83Å; D833-L836 PolarHBondContact OD1-N 3.32Å; D833-A837 PolarHBondContact O-N 3.1Å
834	L	94.8	Very high	93.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.6	-32.4	-179.4	-71.1	-173.6	0	0	0	113.2	D736 V738 F748 V796 R823 I826 V832 A837 A838	D736-L834 HydrophobicContact CB-CD1 4.13Å; V738-L834 HydrophobicContact CG2-CD2 3.67Å; F748-L834 HydrophobicContact CD2-CD2 4.35Å; F748-L834 HydrophobicContact CE2-CD2 3.94Å; V796-L834 HydrophobicContact CG1-CB 4.44Å; V796-L834 HydrophobicContact CG1-CD1 4.35Å; V796-L834 HydrophobicContact CG1-CD2 4.21Å; R823-L834 HydrophobicContact CG-CB 4.33Å; I826-L834 HydrophobicContact CD1-CD1 3.53Å; I826-L834 HydrophobicContact CD1-CG 4.4Å; I826-L834 HydrophobicContact CG2-CD1 4.42Å; I826-L834 HydrophobicContact CG2-CG 4.14Å; V832-L834 HydrophobicContact CG1-CD2 4.25Å; V832-L834 PolarHBondContact O-N 2.77Å; L834-A837 PolarHBondContact O-N 3.2Å; L834-A838 WeakPolarHBondContact O-CB 3.34Å; L834-A838 PolarHBondContact O-N 2.93Å
835	L	95	Very high	93.5	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-69.1	-43.8	177.6	178.9	64.1	0	0	0	110.4	F531 V532 A535 Y539 F594 M817 D833 A837 A838 V839	F531-L835 HydrophobicContact CD2-CD2 4.48Å; F531-L835 HydrophobicContact CE2-CD2 4.34Å; V532-L835 HydrophobicContact CB-CD2 4.27Å; V532-L835 HydrophobicContact CG1-CD1 4.13Å; V532-L835 HydrophobicContact CG1-CD2 4.03Å; V532-L835 HydrophobicContact CG2-CD2 4.28Å; A535-L835 HydrophobicContact CB-CD2 3.68Å; Y539-L835 HydrophobicContact CE2-CD2 4.1Å; Y539-L835 HydrophobicContact CE2-CG 4.05Å; F594-L835 HydrophobicContact CE2-CD1 4.06Å; F594-L835 HydrophobicContact CZ-CD1 4.42Å; M817-L835 HydrophobicContact CE-CD1 4.08Å; M817-L835 HydrophobicContact SD-CB 4.27Å; M817-L835 HydrophobicContact SD-CD1 4.22Å; D833-L835 PolarHBondContact O-N 2.74Å; D833-L835 PolarHBondContact OD1-N 3.01Å; L835-A837 VanDerWaalsContact C-N 3.29Å; L835-A837 PolarHBondContact O-N 3.11Å; L835-A838 PolarHBondContact O-N 2.88Å; L835-V839 HydrophobicContact CD1-CG1 4.49Å; L835-V839 WeakPolarHBondContact O-CG2 3.41Å; L835-V839 PolarHBondContact O-N 2.89Å
836	L	94.9	Very high	93.3	Very high	9 Å²	9	16.8 Å²	16.8	5%	0.047	10%	0.095	C	C	.	.	H	α-helix	trans	-59.5	-42	173.4	-177	58	0	0	0	111.2	A510 R511 M514 Y539 D833 V839 M840	A510-L836 HydrophobicContact CB-CD2 3.87Å; A510-L836 HydrophobicContact CB-CG 4.48Å; R511-L836 HydrophobicContact CG-CD2 4.08Å; M514-L836 HydrophobicContact CB-CD1 4.48Å; M514-L836 HydrophobicContact CG-CD1 3.82Å; Y539-L836 HydrophobicContact CD1-CD1 4.06Å; Y539-L836 HydrophobicContact CD2-CD1 4.08Å; Y539-L836 HydrophobicContact CE1-CB 4.12Å; Y539-L836 HydrophobicContact CE1-CD1 4.31Å; Y539-L836 HydrophobicContact CE2-CB 4.22Å; Y539-L836 HydrophobicContact CE2-CD1 4.36Å; Y539-L836 HydrophobicContact CG-CD1 3.95Å; D833-L836 HydrophobicContact CB-CB 3.86Å; D833-L836 PolarHBondContact O-N 2.83Å; D833-L836 PolarHBondContact OD1-N 3.32Å; L836-V839 HydrophobicContact CD1-CG2 4.15Å; L836-V839 WeakPolarHBondContact O-CG2 3.42Å; L836-M840 HydrophobicContact CD1-CG 4.42Å; L836-M840 HydrophobicContact CG-SD 4.35Å; L836-M840 WeakPolarHBondContact O-CB 3.49Å; L836-M840 VanDerWaalsContact O-CG 3.23Å; L836-M840 WeakPolarHBondContact O-CG 3.07Å; L836-M840 PolarHBondContact O-N 3.32Å
837	A	95.1	Very high	93.1	Very high	2 Å²	2	17 Å²	17	2%	0.017	10%	0.096	C	C	.	.	H	α-helix	trans	-61.4	-45.8	175.1	0	0	0	0	0	111.7	V738 V796 D833 L834 L835 V839 M840 V841 P847 L849	V738-A837 HydrophobicContact CG1-CB 4.2Å; V738-A837 HydrophobicContact CG2-CB 4.49Å; V796-A837 HydrophobicContact CG2-CB 4.3Å; D833-A837 PolarHBondContact O-N 3.1Å; L834-A837 PolarHBondContact O-N 3.2Å; L835-A837 VanDerWaalsContact C-N 3.29Å; L835-A837 PolarHBondContact O-N 3.11Å; A837-V839 PolarHBondContact O-N 3.29Å; A837-M840 PolarHBondContact O-N 3.09Å; A837-V841 VanDerWaalsContact O-CG2 3.3Å; A837-V841 WeakPolarHBondContact O-CG2 3.41Å; A837-V841 PolarHBondContact O-N 2.91Å; A837-P847 HydrophobicContact CB-CB 4.18Å; A837-P847 HydrophobicContact CB-CG 4.04Å; A837-L849 HydrophobicContact CB-CD1 4.37Å
838	A	95.7	Very high	92.8	Very high	20 Å²	20	16.5 Å²	16.5	17%	0.165	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-46	178.8	0	0	0	0	0	112.3	V796 L834 L835 V841 A842	V796-A838 HydrophobicContact CB-CB 4.39Å; V796-A838 HydrophobicContact CG2-CB 3.81Å; L834-A838 WeakPolarHBondContact O-CB 3.34Å; L834-A838 PolarHBondContact O-N 2.93Å; L835-A838 PolarHBondContact O-N 2.88Å; A838-V841 PolarHBondContact O-N 3.48Å; A838-A842 PolarHBondContact O-N 2.86Å
839	V	95.8	Very high	92.5	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-70.4	-32.6	179.3	-60.6	0	0	0	0	112.9	M514 L519 Y539 L541 F594 L835 L836 A837 A842 C843	M514-V839 HydrophobicContact CE-CB 4.15Å; M514-V839 HydrophobicContact CE-CG2 3.87Å; L519-V839 HydrophobicContact CD1-CB 3.74Å; L519-V839 HydrophobicContact CD1-CG1 3.92Å; Y539-V839 HydrophobicContact CD2-CG2 4.35Å; L541-V839 HydrophobicContact CD1-CG2 4.36Å; F594-V839 HydrophobicContact CD1-CG1 4.14Å; F594-V839 HydrophobicContact CD2-CG1 4.41Å; F594-V839 HydrophobicContact CE1-CG1 3.6Å; F594-V839 HydrophobicContact CE2-CG1 3.91Å; F594-V839 HydrophobicContact CZ-CG1 3.48Å; F594-V839 VanDerWaalsContact CZ-CG1 3.48Å; L835-V839 HydrophobicContact CD1-CG1 4.49Å; L835-V839 WeakPolarHBondContact O-CG2 3.41Å; L835-V839 PolarHBondContact O-N 2.89Å; L836-V839 HydrophobicContact CD1-CG2 4.15Å; L836-V839 WeakPolarHBondContact O-CG2 3.42Å; A837-V839 PolarHBondContact O-N 3.29Å; V839-A842 PolarHBondContact O-N 2.83Å; V839-C843 PolarHBondContact O-N 3.37Å; V839-C843 VanDerWaalsContact O-N 3.17Å; V839-C843 PolarHBondContact O-SG 2.98Å
840	M	95.9	Very high	91.5	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.02	9%	0.092	C	C	.	.	H	α-helix	trans	-62.7	-47.7	172	-77.5	-177.5	78.8	0	0	110.7	A510 M514 L836 A837 A842 C843 G844 L845 P847	A510-M840 HydrophobicContact CB-CE 4.21Å; A510-M840 HydrophobicContact CB-SD 3.69Å; M514-M840 HydrophobicContact CG-CG 3.8Å; M514-M840 HydrophobicContact SD-CB 4.25Å; M514-M840 HydrophobicContact SD-CG 3.5Å; M514-M840 VanDerWaalsContact SD-CG 3.5Å; L836-M840 HydrophobicContact CD1-CG 4.42Å; L836-M840 HydrophobicContact CG-SD 4.35Å; L836-M840 WeakPolarHBondContact O-CB 3.49Å; L836-M840 VanDerWaalsContact O-CG 3.23Å; L836-M840 WeakPolarHBondContact O-CG 3.07Å; L836-M840 PolarHBondContact O-N 3.32Å; A837-M840 PolarHBondContact O-N 3.09Å; M840-A842 VanDerWaalsContact C-N 3.32Å; M840-A842 PolarHBondContact O-N 3.2Å; M840-C843 CarbonylContact O-C 3.42Å; M840-C843 WeakPolarHBondContact O-CA 3.31Å; M840-C843 WeakPolarHBondContact O-CB 3.27Å; M840-C843 PolarHBondContact O-N 3.11Å; M840-G844 PolarHBondContact O-N 3.32Å; M840-L845 CarbonylContact C-O 3.46Å; M840-L845 HydrophobicContact CB-CB 4.29Å; M840-L845 HydrophobicContact CE-CB 4.31Å; M840-L845 WeakPolarHBondContact O-CA 3.31Å; M840-L845 WeakPolarHBondContact O-CB 3.4Å; M840-L845 PolarHBondContact O-N 3.03Å; M840-L845 VanDerWaalsContact O-O 3.1Å; M840-P847 HydrophobicContact CB-CG 4.08Å; M840-P847 HydrophobicContact SD-CB 4.32Å
841	V	95.6	Very high	90.1	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.055	11%	0.112	C	C	.	.	H	α-helix	trans	-61.3	-41.5	177.8	175.5	0	0	0	0	111.2	F740 D794 A837 A838 C843 G844 L845 P847	F740-V841 HydrophobicContact CD2-CG1 4.31Å; F740-V841 HydrophobicContact CD2-CG2 4.12Å; D794-V841 HydrophobicContact CB-CG1 3.86Å; A837-V841 VanDerWaalsContact O-CG2 3.3Å; A837-V841 WeakPolarHBondContact O-CG2 3.41Å; A837-V841 PolarHBondContact O-N 2.91Å; A838-V841 PolarHBondContact O-N 3.48Å; V841-C843 PolarHBondContact O-N 2.82Å; V841-G844 WeakPolarHBondContact O-CA 3.41Å; V841-G844 PolarHBondContact O-N 3.11Å; V841-L845 PolarHBondContact N-O 3.31Å; V841-P847 HydrophobicContact CG2-CG 3.71Å
842	A	95.6	Very high	89.1	Confident	8 Å²	8	28.3 Å²	28.3	7%	0.066	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-25	175	0	0	0	0	0	113.5	G592 F594 A838 V839 M840 G844	G592-A842 VanDerWaalsContact CA-O 3.27Å; G592-A842 WeakPolarHBondContact CA-O 3.22Å; F594-A842 HydrophobicContact CB-CB 3.83Å; A838-A842 PolarHBondContact O-N 2.86Å; V839-A842 PolarHBondContact O-N 2.83Å; M840-A842 VanDerWaalsContact C-N 3.32Å; M840-A842 PolarHBondContact O-N 3.2Å; A842-G844 VanDerWaalsContact C-N 3.33Å
843	C	95.3	Very high	88.2	Confident	16 Å²	16	29.5 Å²	29.5	11%	0.108	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	4.1	172.5	-64.6	0	0	0	0	113.7	M514 K517 L519 D591 V839 M840 V841 L845	M514-C843 HydrophobicContact CE-CB 4.49Å; M514-C843 VanDerWaalsContact CE-SG 3.58Å; K517-C843 HydrophobicContact CD-CB 4.33Å; L519-C843 VanDerWaalsContact CD2-SG 3.59Å; D591-C843 WeakPolarHBondContact O-CA 3.27Å; V839-C843 PolarHBondContact O-N 3.37Å; V839-C843 VanDerWaalsContact O-N 3.17Å; V839-C843 PolarHBondContact O-SG 2.98Å; M840-C843 CarbonylContact O-C 3.42Å; M840-C843 WeakPolarHBondContact O-CA 3.31Å; M840-C843 WeakPolarHBondContact O-CB 3.27Å; M840-C843 PolarHBondContact O-N 3.11Å; V841-C843 PolarHBondContact O-N 2.82Å; C843-L845 HydrophobicContact CB-CD1 4.27Å; C843-L845 HydrophobicContact CB-CG 4.06Å; C843-L845 PolarHBondContact O-N 2.79Å
844	G	93.3	Very high	87.4	Confident	35 Å²	35	36.2 Å²	36.2	36%	0.361	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	18.1	-172.9	0	0	0	0	0	113.6	M840 V841 A842	M840-G844 PolarHBondContact O-N 3.32Å; V841-G844 WeakPolarHBondContact O-CA 3.41Å; V841-G844 PolarHBondContact O-N 3.11Å; A842-G844 VanDerWaalsContact C-N 3.33Å
845	L	93	Very high	87	Confident	12 Å²	12	38 Å²	38	6%	0.063	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-97.7	128.6	178	-61.2	-178.6	0	0	0	110	A96 L513 M514 K517 M840 V841 C843 P847	A96-L845 HydrophobicContact CB-CD2 3.85Å; A96-L845 WeakPolarHBondContact O-CD2 3.42Å; L513-L845 HydrophobicContact CB-CD1 4.37Å; M514-L845 HydrophobicContact SD-CD1 3.88Å; K517-L845 HydrophobicContact CD-CD1 4.4Å; M840-L845 CarbonylContact C-O 3.46Å; M840-L845 HydrophobicContact CB-CB 4.29Å; M840-L845 HydrophobicContact CE-CB 4.31Å; M840-L845 WeakPolarHBondContact O-CA 3.31Å; M840-L845 WeakPolarHBondContact O-CB 3.4Å; M840-L845 PolarHBondContact O-N 3.03Å; M840-L845 VanDerWaalsContact O-O 3.1Å; V841-L845 PolarHBondContact N-O 3.31Å; C843-L845 HydrophobicContact CB-CD1 4.27Å; C843-L845 HydrophobicContact CB-CG 4.06Å; C843-L845 PolarHBondContact O-N 2.79Å; L845-P847 VanDerWaalsContact O-CD 3.23Å; L845-P847 WeakPolarHBondContact O-CD 3.27Å
846	R	91.3	Very high	86.5	Confident	106 Å²	106	42.5 Å²	42.5	40%	0.4	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-71.7	119.5	177	-174.6	176.2	175.1	-157.8	-6.3	110.7	F740 L745 A848	F740-R846 HydrophobicContact CB-CG 4.45Å; F740-R846 HydrophobicContact CD1-CB 3.76Å; F740-R846 HydrophobicContact CD1-CG 3.71Å; F740-R846 HydrophobicContact CD2-CB 4.46Å; F740-R846 HydrophobicContact CE1-CB 3.64Å; F740-R846 HydrophobicContact CE1-CG 4.11Å; F740-R846 HydrophobicContact CE2-CB 4.34Å; F740-R846 HydrophobicContact CG-CB 4.17Å; F740-R846 HydrophobicContact CG-CG 4.05Å; F740-R846 HydrophobicContact CZ-CB 3.94Å; L745-R846 HydrophobicContact CD1-CG 4.14Å; R846-A848 PolarHBondContact O-N 2.88Å
847	P	91	Very high	86.4	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.019	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-62.6	136.3	170.1	-20.6	33.7	0	0	0	110.9	V738 L745 A837 M840 V841 L845 L849	V738-P847 HydrophobicContact CG1-CG 4.38Å; L745-P847 HydrophobicContact CD1-CB 4.38Å; L745-P847 HydrophobicContact CD1-CG 4.35Å; A837-P847 HydrophobicContact CB-CB 4.18Å; A837-P847 HydrophobicContact CB-CG 4.04Å; M840-P847 HydrophobicContact CB-CG 4.08Å; M840-P847 HydrophobicContact SD-CB 4.32Å; V841-P847 HydrophobicContact CG2-CG 3.71Å; L845-P847 VanDerWaalsContact O-CD 3.23Å; L845-P847 WeakPolarHBondContact O-CD 3.27Å; P847-L849 HydrophobicContact CB-CD1 4.23Å; P847-L849 HydrophobicContact CB-CD2 4.37Å; P847-L849 HydrophobicContact CB-CG 3.95Å
848	A	85.7	Confident	86.4	Confident	19 Å²	19	44.7 Å²	44.7	16%	0.157	22%	0.224	C	C	.	.			trans	-98.3	97.1	170.1	0	0	0	0	0	108.2	V98 L506 R846	V98-A848 HydrophobicContact CB-CB 4.04Å; V98-A848 HydrophobicContact CG1-CB 4.09Å; V98-A848 HydrophobicContact CG2-CB 3.77Å; L506-A848 HydrophobicContact CD2-CB 3.74Å; R846-A848 PolarHBondContact O-N 2.88Å
849	L	83.3	Confident	86.5	Confident	25 Å²	25	43.8 Å²	43.8	13%	0.131	22%	0.216	C	C	.	.			trans	-111.3	150.2	-177.5	-59.3	178.8	0	0	0	109.9	V738 A746 V832 A837 P847 T851	V738-L849 HydrophobicContact CB-CD1 3.9Å; V738-L849 HydrophobicContact CG1-CD1 3.83Å; V738-L849 HydrophobicContact CG2-CD1 3.76Å; A746-L849 HydrophobicContact CB-CB 4.25Å; A746-L849 HydrophobicContact CB-CD1 3.81Å; V832-L849 HydrophobicContact CG1-CD1 4.28Å; V832-L849 HydrophobicContact CG1-CD2 3.89Å; A837-L849 HydrophobicContact CB-CD1 4.37Å; P847-L849 HydrophobicContact CB-CD1 4.23Å; P847-L849 HydrophobicContact CB-CD2 4.37Å; P847-L849 HydrophobicContact CB-CG 3.95Å; L849-T851 PolarHBondContact O-N 2.92Å
850	P	70.7	Confident	86.6	Confident	13 Å²	13	43.7 Å²	43.7	8%	0.084	22%	0.216	C	C	.	.			trans	-55.5	129.5	171.3	-20.3	31	0	0	0	109.9	V832 R852 P853	V832-P850 HydrophobicContact CG2-CG 4.46Å; P850-R852 PolarHBondContact O-N 3.48Å; P850-P853 HydrophobicContact CB-CB 4.38Å; P850-P853 WeakPolarHBondContact O-CD 3.18Å
851	T	58.9	Low	86.7	Confident	79 Å²	79	43.6 Å²	43.6	49%	0.485	22%	0.216	S	C	.	.	S	Bend	trans	-67.6	-22.1	-178	49.8	0	0	0	0	113.5	L849	L849-T851 PolarHBondContact O-N 2.92Å
852	R	67.8	Low	86.8	Confident	218 Å²	218	43.2 Å²	43.2	82%	0.823	21%	0.214	S	C	*	.	S	Bend	trans	-142.5	75.6	177.9	-67.9	-174.6	-176	169.5	0.1	108.7	P850 R854	P850-R852 PolarHBondContact O-N 3.48Å; R852-R854 PolarHBondContact O-N 3.29Å
853	P	71.4	Confident	86.7	Confident	28 Å²	28	42.8 Å²	42.8	18%	0.182	21%	0.21	C	C	.	.			trans	-64.4	132.4	178.8	28.2	-30.4	0	0	0	108.7	F748 Y830 V832 P850	F748-P853 HydrophobicContact CD1-CG 4.12Å; F748-P853 HydrophobicContact CE1-CB 3.83Å; F748-P853 HydrophobicContact CE1-CG 3.31Å; F748-P853 HydrophobicContact CZ-CB 4.43Å; F748-P853 HydrophobicContact CZ-CG 3.82Å; Y830-P853 HydrophobicContact CD1-CB 3.78Å; Y830-P853 HydrophobicContact CD1-CG 4.32Å; Y830-P853 HydrophobicContact CG-CB 4.24Å; V832-P853 HydrophobicContact CG2-CB 4.49Å; P850-P853 HydrophobicContact CB-CB 4.38Å; P850-P853 WeakPolarHBondContact O-CD 3.18Å
854	R	74.9	Confident	86.7	Confident	152 Å²	152	42 Å²	42	57%	0.574	21%	0.205	S	C	*	.			trans	-104.3	136.7	175.3	-72.8	-176.3	173.9	174.9	-1.8	109.3	A493 Y830 R852	A493-R854 PolarHBondContact O-NH1 3.11Å; Y830-R854 VanDerWaalsContact CD1-C 3.48Å; R852-R854 PolarHBondContact O-N 3.29Å
855	A	86.9	Confident	86.6	Confident	36 Å²	36	40.4 Å²	40.4	30%	0.298	19%	0.188	S	C	.	.			trans	-70.5	136.8	176.7	0	0	0	0	0	110.6	P768 L829 Y830 G857	P768-A855 HydrophobicContact CB-CB 4.02Å; P768-A855 HydrophobicContact CG-CB 3.69Å; L829-A855 HydrophobicContact CB-CB 4.33Å; L829-A855 WeakPolarHBondContact O-CA 3.33Å; Y830-A855 HydrophobicContact CD1-CB 4.21Å; Y830-A855 HydrophobicContact CE1-CB 3.67Å; A855-G857 VanDerWaalsContact C-N 3.31Å
856	R	85.4	Confident	86.6	Confident	97 Å²	97	40.1 Å²	40.1	37%	0.366	19%	0.187	S	C	.	.	S	Bend	trans	-87.8	1.9	178.4	-62.6	172.6	-171.5	137.3	-5.6	114	E503 L829	E503-R856 IonicContact OE1-CZ 2.71Å; E503-R856 IonicContact OE1-NH1 2.82Å; E503-R856 IonicContact OE1-NH2 3Å; E503-R856 PolarHBondContact OE1-NH2 3.13Å; E503-R856 IonicContact OE2-CZ 3.61Å; E503-R856 IonicContact OE2-NH2 3.38Å; E503-R856 PolarHBondContact OE2-NH2 3.09Å; L829-R856 WeakPolarHBondContact O-CG 3.45Å; L829-R856 PolarHBondContact O-N 2.71Å
857	G	91.8	Very high	86.5	Confident	14 Å²	14	37.8 Å²	37.8	14%	0.144	19%	0.187	C	C	.	.	S	Bend	trans	175.9	-164.8	-176.2	0	0	0	0	0	110	P768 L829 A855	P768-G857 VanDerWaalsContact CD-O 3.25Å; P768-G857 WeakPolarHBondContact CD-O 3.49Å; L829-G857 WeakPolarHBondContact CD2-O 3.49Å; A855-G857 VanDerWaalsContact C-N 3.31Å
858	H	95.9	Very high	86.6	Confident	43 Å²	43	40.2 Å²	40.2	20%	0.199	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138	177.9	-59.3	78.1	0	0	0	109.4	M767 A915 G916 S917 S918 P919 A922	M767-H858 CarbonylContact O-C 3.58Å; M767-H858 WeakPolarHBondContact O-CA 3.23Å; H858-A915 CarbonylContact O-C 3.5Å; H858-A915 VanDerWaalsContact O-CA 3.25Å; H858-A915 WeakPolarHBondContact O-CA 3.38Å; H858-G916 PolarHBondContact N-O 2.95Å; H858-G916 PolarHBondContact O-N 2.63Å; H858-S917 PolarHBondContact ND1-O 2.9Å; H858-S918 WeakPolarHBondContact ND1-CA 3.21Å; H858-P919 VanDerWaalsContact CD2-CG 3.45Å; H858-P919 WeakPolarHBondContact CD2-CG 3.33Å; H858-A922 HydrophobicContact CB-CB 4.41Å
859	L	97.6	Very high	87	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.8	169.1	-75.3	164.4	0	0	0	108.1	C766 M767 W825 E828 L829 R892 A915	C766-L859 WeakPolarHBondContact CA-O 3.19Å; M767-L859 PolarHBondContact N-O 3.43Å; M767-L859 PolarHBondContact O-N 3.49Å; W825-L859 HydrophobicContact CB-CD1 3.85Å; W825-L859 HydrophobicContact CD2-CB 3.79Å; W825-L859 HydrophobicContact CD2-CD1 3.91Å; W825-L859 HydrophobicContact CD2-CG 4.46Å; W825-L859 HydrophobicContact CE3-CB 3.92Å; W825-L859 HydrophobicContact CG-CB 4.3Å; W825-L859 HydrophobicContact CG-CD1 3.5Å; W825-L859 VanDerWaalsContact CG-CD1 3.5Å; W825-L859 HydrophobicContact CH2-CB 4.43Å; W825-L859 HydrophobicContact CZ2-CB 4.35Å; W825-L859 HydrophobicContact CZ3-CB 4.22Å; E828-L859 HydrophobicContact CB-CD1 4.44Å; E828-L859 HydrophobicContact CG-CD1 4.47Å; L829-L859 HydrophobicContact CD1-CB 4.3Å; L829-L859 HydrophobicContact CD1-CD1 4.02Å; L829-L859 HydrophobicContact CD1-CG 4.3Å; L829-L859 HydrophobicContact CD2-CD1 4.12Å; L829-L859 HydrophobicContact CD2-CG 4.13Å; L829-L859 HydrophobicContact CG-CD1 3.84Å; L829-L859 HydrophobicContact CG-CG 4.31Å; L859-R892 HydrophobicContact CD2-CG 4.02Å; L859-A915 HydrophobicContact CD2-CB 3.77Å
860	V	97.8	Very high	87.4	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.1	171.8	179.9	0	0	0	0	106.7	A765 C766 A913 C914 A922 L926 L946 F949	A765-V860 CarbonylContact O-C 3.6Å; A765-V860 WeakPolarHBondContact O-CA 3.28Å; C766-V860 HydrophobicContact CB-CG2 4.3Å; V860-A913 CarbonylContact O-C 3.33Å; V860-A913 WeakPolarHBondContact O-CA 3.42Å; V860-A913 VanDerWaalsContact O-CB 3.32Å; V860-A913 WeakPolarHBondContact O-CB 3.17Å; V860-C914 PolarHBondContact N-O 2.92Å; V860-C914 VanDerWaalsContact N-O 3.15Å; V860-C914 PolarHBondContact O-N 2.75Å; V860-A922 HydrophobicContact CB-CB 4.14Å; V860-A922 HydrophobicContact CG2-CB 3.72Å; V860-L926 HydrophobicContact CG1-CD2 4.02Å; V860-L926 WeakPolarHBondContact O-CD2 3.35Å; V860-L946 HydrophobicContact CG1-CD2 3.52Å; V860-F949 HydrophobicContact CG1-CD2 3.83Å; V860-F949 HydrophobicContact CG1-CE2 4.13Å
861	G	97.3	Very high	88.5	Confident	2 Å²	2	49.3 Å²	49.3	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162.9	-176	0	0	0	0	0	113.9	A764 A765 V912	A764-G861 CarbonylContact C-O 3.58Å; A764-G861 WeakPolarHBondContact CA-O 3.29Å; A764-G861 VanDerWaalsContact CB-O 3.29Å; A764-G861 WeakPolarHBondContact CB-O 3.32Å; A765-G861 PolarHBondContact N-O 3.16Å; A765-G861 PolarHBondContact O-N 3.32Å; G861-V912 CarbonylContact C-O 3.51Å; G861-V912 WeakPolarHBondContact CA-O 3.32Å
862	V	97.1	Very high	90.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.7	172.1	-68	0	0	0	0	111.3	T763 A764 S911 V912 L926 V942 L946	T763-V862 CarbonylContact O-C 3.49Å; T763-V862 VanDerWaalsContact O-CA 3.31Å; T763-V862 WeakPolarHBondContact O-CA 3.21Å; A764-V862 HydrophobicContact CB-CG1 3.96Å; V862-S911 WeakPolarHBondContact O-CA 3.28Å; V862-V912 HydrophobicContact CG2-CG2 3.65Å; V862-V912 PolarHBondContact N-O 3.29Å; V862-V912 PolarHBondContact O-N 2.88Å; V862-L926 HydrophobicContact CG1-CD2 4.07Å; V862-L926 HydrophobicContact CG2-CD2 4.4Å; V862-V942 HydrophobicContact CG1-CG1 3.95Å; V862-L946 HydrophobicContact CG1-CD2 3.9Å; V862-L946 HydrophobicContact CG1-CG 4.35Å
863	M	95.2	Very high	91.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	141.4	170.6	-62.2	-55.1	-162.6	0	0	110.4	E762 T763 F820 Y821 P908 Y940	E762-M863 HydrophobicContact CB-CE 4.21Å; E762-M863 HydrophobicContact CB-CG 4.24Å; E762-M863 WeakPolarHBondContact OE2-CE 3.22Å; T763-M863 PolarHBondContact O-N 3.33Å; F820-M863 HydrophobicContact CB-CE 4.29Å; F820-M863 HydrophobicContact CD1-CE 4.31Å; F820-M863 HydrophobicContact CD2-CE 3.73Å; F820-M863 HydrophobicContact CE2-CE 4.09Å; F820-M863 HydrophobicContact CG-CE 3.86Å; Y821-M863 HydrophobicContact CD1-CE 4.45Å; Y821-M863 HydrophobicContact CE1-CE 3.49Å; Y821-M863 VanDerWaalsContact CE1-CE 3.49Å; Y821-M863 HydrophobicContact CE1-SD 4.04Å; M863-P908 HydrophobicContact CB-CB 4.1Å; M863-P908 HydrophobicContact CB-CG 4.21Å; M863-P908 HydrophobicContact CG-CB 4.36Å; M863-P908 HydrophobicContact CG-CG 4.18Å; M863-P908 HydrophobicContact SD-CB 4.14Å; M863-P908 HydrophobicContact SD-CG 4.27Å; M863-Y940 WeakPolarHBondContact O-CE1 3.43Å; M863-Y940 VanDerWaalsContact O-CZ 3.31Å; M863-Y940 PolarHBondContact O-OH 2.98Å
864	C	94.1	Very high	92.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.1	173.7	-63.2	0	0	0	0	109.7	Y909 C910	C864-Y909 PolarHBondContact O-N 3.48Å; C864-C910 WeakPolarHBondContact CB-O 3.31Å; C864-C910 PolarHBondContact N-O 2.81Å
865	L	91.9	Very high	93.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	139.3	174.7	-58.8	-175.6	0	0	0	111.3	R756 T761 Q868 H869 E906 P908 Y940	R756-L865 VanDerWaalsContact NH1-CD1 3.31Å; T761-L865 HydrophobicContact CG2-CD1 4.31Å; T761-L865 HydrophobicContact CG2-CD2 4.02Å; L865-Q868 HydrophobicContact CB-CB 4.26Å; L865-Q868 HydrophobicContact CB-CG 4.15Å; L865-Q868 HydrophobicContact CD1-CG 4.25Å; L865-Q868 PolarHBondContact O-N 3.24Å; L865-H869 PolarHBondContact N-ND1 2.86Å; L865-H869 VanDerWaalsContact O-CB 3.31Å; L865-H869 WeakPolarHBondContact O-CB 3.47Å; L865-H869 PolarHBondContact O-N 2.86Å; L865-H869 PolarHBondContact O-ND1 2.87Å; L865-E906 WeakPolarHBondContact CB-OE1 3.34Å; L865-E906 HydrophobicContact CD2-CG 4.28Å; L865-P908 HydrophobicContact CD2-CB 4.22Å; L865-P908 HydrophobicContact CD2-CG 4.1Å; L865-Y940 HydrophobicContact CD1-CD2 4.48Å; L865-Y940 HydrophobicContact CD1-CE2 3.88Å; L865-Y940 HydrophobicContact CG-CE2 4.24Å
866	V	91.9	Very high	93.8	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-64.7	-45.1	179.9	-179.3	0	0	0	0	110.4	Q868 H869 L870 L900 P902 E906 Y909	V866-Q868 PolarHBondContact O-N 3.29Å; V866-Q868 VanDerWaalsContact O-N 3.16Å; V866-H869 PolarHBondContact O-N 2.67Å; V866-L870 HydrophobicContact CG1-CD1 4.07Å; V866-L870 WeakPolarHBondContact O-CA 3.36Å; V866-L870 VanDerWaalsContact O-CB 3.28Å; V866-L870 WeakPolarHBondContact O-CB 3.36Å; V866-L870 PolarHBondContact O-N 3.35Å; V866-L900 HydrophobicContact CG1-CB 4.4Å; V866-L900 HydrophobicContact CG2-CD2 4.23Å; V866-P902 HydrophobicContact CG1-CB 4.4Å; V866-E906 PolarHBondContact N-OE1 3.33Å; V866-Y909 HydrophobicContact CG2-CG 4.34Å
867	S	90.3	Very high	94.2	Very high	56 Å²	56	30.8 Å²	30.8	39%	0.392	18%	0.178	S	C	.	.	H	α-helix	trans	-57.7	-30.1	-179.5	77.9	0	0	0	0	113.5	E906	S867-E906 WeakPolarHBondContact CA-OE1 3.45Å; S867-E906 WeakPolarHBondContact CB-OE1 3.5Å; S867-E906 WeakPolarHBondContact CB-OE2 3.43Å; S867-E906 PolarHBondContact N-OE1 3.44Å; S867-E906 PolarHBondContact OG-OE1 2.94Å; S867-E906 PolarHBondContact OG-OE2 3.38Å
868	Q	91.8	Very high	94.4	Very high	55 Å²	55	31 Å²	31	26%	0.257	18%	0.178	S	C	.	.	H	α-helix	trans	-97.1	-30.5	-179.5	-57.8	-50.3	-55.4	0	0	112.8	L865 V866 S939 Y940	L865-Q868 HydrophobicContact CB-CB 4.26Å; L865-Q868 HydrophobicContact CB-CG 4.15Å; L865-Q868 HydrophobicContact CD1-CG 4.25Å; L865-Q868 PolarHBondContact O-N 3.24Å; V866-Q868 PolarHBondContact O-N 3.29Å; V866-Q868 VanDerWaalsContact O-N 3.16Å; Q868-S939 VanDerWaalsContact OE1-CB 3.27Å; Q868-S939 PolarHBondContact OE1-OG 2.82Å; Q868-Y940 HydrophobicContact CB-CD2 4.28Å; Q868-Y940 HydrophobicContact CB-CG 4.42Å; Q868-Y940 HydrophobicContact CG-CD2 4.01Å
869	H	94.1	Very high	94.3	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.019	19%	0.187	C	C	.	.	H	α-helix	trans	-119	9.7	-168.7	-49.9	102.8	0	0	0	114.1	L865 V866 Q871 A872 L873 I935 Y940	L865-H869 PolarHBondContact N-ND1 2.86Å; L865-H869 VanDerWaalsContact O-CB 3.31Å; L865-H869 WeakPolarHBondContact O-CB 3.47Å; L865-H869 PolarHBondContact O-N 2.86Å; L865-H869 PolarHBondContact O-ND1 2.87Å; V866-H869 PolarHBondContact O-N 2.67Å; H869-Q871 PolarHBondContact O-N 3.32Å; H869-Q871 VanDerWaalsContact O-N 3.11Å; H869-A872 CarbonylContact O-C 3.21Å; H869-A872 PolarHBondContact O-N 2.91Å; H869-L873 HydrophobicContact CB-CD1 3.93Å; H869-L873 HydrophobicContact CB-CG 3.92Å; H869-L873 WeakPolarHBondContact O-CB 3.31Å; H869-L873 WeakPolarHBondContact O-CG 3.26Å; H869-L873 PolarHBondContact O-N 3.5Å; H869-I935 PolarHBondContact CD2-O 3.44Å; H869-I935 VanDerWaalsContact CD2-O 3.28Å; H869-I935 PolarHBondContact NE2-O 3.2Å; H869-Y940 AromaticContact CE1-CD1 3.42Å; H869-Y940 VanDerWaalsContact CE1-CD1 3.42Å; H869-Y940 WeakPolarHBondContact CE1-CD1 3.46Å; H869-Y940 AromaticContact CE1-CE1 3.62Å; H869-Y940 AromaticContact CE1-CG 3.64Å; H869-Y940 AromaticContact NE2-CD1 3.17Å; H869-Y940 WeakPolarHBondContact NE2-CD1 3.4Å; H869-Y940 AromaticContact NE2-CE1 3.76Å; H869-Y940 AromaticContact NE2-CG 3.5Å
870	L	93.5	Very high	94.1	Very high	76 Å²	76	40.2 Å²	40.2	40%	0.398	22%	0.216	S	C	.	.	H	α-helix	trans	-49.8	-43.8	-176.3	-179	61.7	0	0	0	112.8	V866 S874 L900	V866-L870 HydrophobicContact CG1-CD1 4.07Å; V866-L870 WeakPolarHBondContact O-CA 3.36Å; V866-L870 VanDerWaalsContact O-CB 3.28Å; V866-L870 WeakPolarHBondContact O-CB 3.36Å; V866-L870 PolarHBondContact O-N 3.35Å; L870-S874 WeakPolarHBondContact O-CB 3.36Å; L870-S874 PolarHBondContact O-N 3.02Å; L870-S874 PolarHBondContact O-OG 2.99Å; L870-L900 HydrophobicContact CD1-CB 4.16Å
871	Q	93	Very high	94	Very high	167 Å²	167	42.7 Å²	42.7	78%	0.78	23%	0.232	S	C	*	.	H	α-helix	trans	-62.5	-47.6	178.3	-176.6	178.2	-1.3	0	0	111.8	H869 S874 S875	H869-Q871 PolarHBondContact O-N 3.32Å; H869-Q871 VanDerWaalsContact O-N 3.11Å; Q871-S874 PolarHBondContact O-N 3.43Å; Q871-S875 PolarHBondContact O-N 3.32Å; Q871-S875 PolarHBondContact O-OG 2.66Å
872	A	93.9	Very high	94	Very high	6 Å²	6	42.6 Å²	42.6	5%	0.05	23%	0.231	C	C	.	.	H	α-helix	trans	-65.1	-49.2	178	0	0	0	0	0	111	H869 S874 S875 T876 A877	H869-A872 CarbonylContact O-C 3.21Å; H869-A872 PolarHBondContact O-N 2.91Å; A872-S874 PolarHBondContact O-N 3.3Å; A872-S875 CarbonylContact O-C 3.48Å; A872-S875 PolarHBondContact O-N 3.22Å; A872-T876 PolarHBondContact O-N 3.39Å; A872-T876 VanDerWaalsContact O-N 3.17Å; A872-A877 HydrophobicContact CB-CB 4.13Å; A872-A877 CarbonylContact O-C 3.6Å; A872-A877 WeakPolarHBondContact O-CA 3.2Å; A872-A877 PolarHBondContact O-N 3.02Å
873	L	94.6	Very high	93.9	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-22.7	179.6	-66.1	174.7	0	0	0	113.3	H869 A877 S878 L882 L900 Y909	H869-L873 HydrophobicContact CB-CD1 3.93Å; H869-L873 HydrophobicContact CB-CG 3.92Å; H869-L873 WeakPolarHBondContact O-CB 3.31Å; H869-L873 WeakPolarHBondContact O-CG 3.26Å; H869-L873 PolarHBondContact O-N 3.5Å; L873-A877 HydrophobicContact CD2-CB 4.48Å; L873-S878 WeakPolarHBondContact O-CA 3.11Å; L873-L882 HydrophobicContact CD2-CD1 4.36Å; L873-L900 HydrophobicContact CB-CD1 4.24Å; L873-L900 HydrophobicContact CB-CD2 3.92Å; L873-L900 HydrophobicContact CD1-CD2 3.78Å; L873-L900 HydrophobicContact CG-CD2 4.44Å; L873-Y909 HydrophobicContact CD1-CD1 3.8Å; L873-Y909 HydrophobicContact CD1-CE1 4.44Å; L873-Y909 HydrophobicContact CD1-CG 4.29Å; L873-Y909 HydrophobicContact CD2-CD1 4.01Å; L873-Y909 HydrophobicContact CD2-CE1 4.13Å
874	S	93.5	Very high	94	Very high	77 Å²	77	48.1 Å²	48.1	54%	0.538	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.4	173.9	-53.7	0	0	0	0	113.5	L870 Q871 A872	L870-S874 WeakPolarHBondContact O-CB 3.36Å; L870-S874 PolarHBondContact O-N 3.02Å; L870-S874 PolarHBondContact O-OG 2.99Å; Q871-S874 PolarHBondContact O-N 3.43Å; A872-S874 PolarHBondContact O-N 3.3Å
875	S	93.9	Very high	94.1	Very high	63 Å²	63	49.5 Å²	49.5	44%	0.441	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.4	-95.1	-175.7	64.1	0	0	0	0	112.8	Q871 A872 A877 S878	Q871-S875 PolarHBondContact O-N 3.32Å; Q871-S875 PolarHBondContact O-OG 2.66Å; A872-S875 CarbonylContact O-C 3.48Å; A872-S875 PolarHBondContact O-N 3.22Å; S875-A877 VanDerWaalsContact C-N 3.33Å; S875-A877 PolarHBondContact O-N 2.99Å; S875-S878 PolarHBondContact O-N 3.22Å
876	T	94.7	Very high	94.2	Very high	69 Å²	69	52.5 Å²	52.5	42%	0.423	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.9	-172.3	45.3	0	0	0	0	113.8	A872 T881 L933	A872-T876 PolarHBondContact O-N 3.39Å; A872-T876 VanDerWaalsContact O-N 3.17Å; T876-T881 WeakPolarHBondContact O-CG2 3.44Å; T876-L933 WeakPolarHBondContact CB-O 3.07Å; T876-L933 WeakPolarHBondContact O-CD2 3.4Å; T876-L933 PolarHBondContact OG1-O 2.79Å
877	A	94.9	Very high	94.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	36.2	177.9	0	0	0	0	0	111.3	A872 L873 S875 L882 L933 I935	A872-A877 HydrophobicContact CB-CB 4.13Å; A872-A877 CarbonylContact O-C 3.6Å; A872-A877 WeakPolarHBondContact O-CA 3.2Å; A872-A877 PolarHBondContact O-N 3.02Å; L873-A877 HydrophobicContact CD2-CB 4.48Å; S875-A877 VanDerWaalsContact C-N 3.33Å; S875-A877 PolarHBondContact O-N 2.99Å; A877-L882 HydrophobicContact CB-CD1 4.44Å; A877-L882 HydrophobicContact CB-CD2 4.28Å; A877-L882 HydrophobicContact CB-CG 4.4Å; A877-L882 WeakPolarHBondContact O-CD1 3.26Å; A877-L933 HydrophobicContact CB-CB 4.25Å; A877-L933 HydrophobicContact CB-CD1 4.4Å; A877-I935 HydrophobicContact CB-CD1 4.22Å; A877-I935 HydrophobicContact CB-CG1 4.16Å
878	S	95	Very high	94.4	Very high	20 Å²	20	63.8 Å²	63.8	14%	0.14	33%	0.328	C	S	.	.			trans	-57.3	156.6	176.4	89.1	0	0	0	0	111.8	L873 S875 E880 T881 L882	L873-S878 WeakPolarHBondContact O-CA 3.11Å; S875-S878 PolarHBondContact O-N 3.22Å; S878-E880 WeakPolarHBondContact CB-OE2 3.4Å; S878-E880 PolarHBondContact O-N 2.97Å; S878-E880 PolarHBondContact OG-N 3.05Å; S878-E880 PolarHBondContact OG-OE2 2.98Å; S878-T881 WeakPolarHBondContact O-CB 3.4Å; S878-T881 PolarHBondContact O-N 3.45Å; S878-T881 PolarHBondContact OG-N 2.83Å; S878-T881 PolarHBondContact OG-OG1 3.26Å; S878-T881 VanDerWaalsContact OG-OG1 3.13Å; S878-L882 PolarHBondContact O-N 3.05Å
879	R	93.8	Very high	94.4	Very high	102 Å²	102	63.2 Å²	63.2	39%	0.385	34%	0.336	S	S	.	.	H	α-helix	trans	-50.9	-44	177.2	-178.5	178.5	177.3	168.7	1.8	111.8	Q883 L895	R879-Q883 VanDerWaalsContact O-CB 3.23Å; R879-Q883 WeakPolarHBondContact O-CB 3.32Å; R879-Q883 PolarHBondContact O-N 3.24Å; R879-L895 HydrophobicContact CG-CD1 4.22Å
880	E	94.8	Very high	94.4	Very high	133 Å²	133	67.1 Å²	67.1	62%	0.621	36%	0.357	S	S	*	.	H	α-helix	trans	-65.5	-40.5	179.6	-57.3	69.6	-148.9	0	0	111.3	S878 A884	S878-E880 WeakPolarHBondContact CB-OE2 3.4Å; S878-E880 PolarHBondContact O-N 2.97Å; S878-E880 PolarHBondContact OG-N 3.05Å; S878-E880 PolarHBondContact OG-OE2 2.98Å; E880-A884 WeakPolarHBondContact O-CB 3.46Å; E880-A884 PolarHBondContact O-N 3.27Å
881	T	95.8	Very high	94.4	Very high	53 Å²	53	63.5 Å²	63.5	33%	0.325	34%	0.338	S	S	.	.	H	α-helix	trans	-67.8	-47.4	179.4	-57	0	0	0	0	111	T876 S878 Q883 A884 L885	T876-T881 WeakPolarHBondContact O-CG2 3.44Å; S878-T881 WeakPolarHBondContact O-CB 3.4Å; S878-T881 PolarHBondContact O-N 3.45Å; S878-T881 PolarHBondContact OG-N 2.83Å; S878-T881 PolarHBondContact OG-OG1 3.26Å; S878-T881 VanDerWaalsContact OG-OG1 3.13Å; T881-Q883 VanDerWaalsContact C-N 3.33Å; T881-Q883 PolarHBondContact O-N 3.45Å; T881-A884 PolarHBondContact O-N 3Å; T881-L885 HydrophobicContact CG2-CD1 4.41Å; T881-L885 WeakPolarHBondContact O-CG 3.47Å; T881-L885 PolarHBondContact O-N 2.83Å
882	L	96.4	Very high	94.6	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-41.7	176.8	-66.7	178.5	0	0	0	111.2	L873 A877 S878 L885 H886 L891 L893 V912 L933	L873-L882 HydrophobicContact CD2-CD1 4.36Å; A877-L882 HydrophobicContact CB-CD1 4.44Å; A877-L882 HydrophobicContact CB-CD2 4.28Å; A877-L882 HydrophobicContact CB-CG 4.4Å; A877-L882 WeakPolarHBondContact O-CD1 3.26Å; S878-L882 PolarHBondContact O-N 3.05Å; L882-L885 PolarHBondContact O-N 3.49Å; L882-H886 WeakPolarHBondContact O-CB 3.32Å; L882-H886 PolarHBondContact O-N 3.19Å; L882-L891 HydrophobicContact CD2-CD2 4.03Å; L882-L893 HydrophobicContact CB-CD1 4.11Å; L882-L893 HydrophobicContact CB-CD2 3.83Å; L882-L893 HydrophobicContact CD1-CD1 4.1Å; L882-V912 HydrophobicContact CD1-CG1 4.25Å; L882-V912 HydrophobicContact CD2-CG1 4.01Å; L882-L933 HydrophobicContact CD2-CD1 3.63Å
883	Q	95.6	Very high	94.7	Very high	69 Å²	69	58.2 Å²	58.2	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-44.6	175.2	-171.2	64.9	56.4	0	0	111.5	R879 T881 L885 H886 D887	R879-Q883 VanDerWaalsContact O-CB 3.23Å; R879-Q883 WeakPolarHBondContact O-CB 3.32Å; R879-Q883 PolarHBondContact O-N 3.24Å; T881-Q883 VanDerWaalsContact C-N 3.33Å; T881-Q883 PolarHBondContact O-N 3.45Å; Q883-L885 VanDerWaalsContact C-N 3.28Å; Q883-L885 PolarHBondContact O-N 3.33Å; Q883-H886 PolarHBondContact NE2-CD2 3.18Å; Q883-H886 WeakPolarHBondContact O-CA 3.46Å; Q883-H886 WeakPolarHBondContact O-CB 3.4Å; Q883-H886 PolarHBondContact O-N 2.94Å; Q883-H886 VanDerWaalsContact O-N 3.09Å; Q883-D887 PolarHBondContact NE2-OD1 3.44Å; Q883-D887 PolarHBondContact O-N 3.41Å
884	A	96.1	Very high	94.6	Very high	48 Å²	48	58.8 Å²	58.8	40%	0.397	31%	0.314	S	S	.	.	H	α-helix	trans	-62.6	-35	177.8	0	0	0	0	0	112.6	E880 T881 R888	E880-A884 WeakPolarHBondContact O-CB 3.46Å; E880-A884 PolarHBondContact O-N 3.27Å; T881-A884 PolarHBondContact O-N 3Å; A884-R888 WeakPolarHBondContact O-CB 3.43Å; A884-R888 WeakPolarHBondContact O-CD 3.06Å; A884-R888 WeakPolarHBondContact O-CG 3.32Å; A884-R888 PolarHBondContact O-N 2.86Å
885	L	96.3	Very high	94.4	Very high	28 Å²	28	57 Å²	57	15%	0.147	30%	0.298	C	S	.	.	H	α-helix	trans	-71.7	-36.1	173.8	-68	173.1	0	0	0	112	T881 L882 Q883 R888 G889 L890 L891 L933	T881-L885 HydrophobicContact CG2-CD1 4.41Å; T881-L885 WeakPolarHBondContact O-CG 3.47Å; T881-L885 PolarHBondContact O-N 2.83Å; L882-L885 PolarHBondContact O-N 3.49Å; Q883-L885 VanDerWaalsContact C-N 3.28Å; Q883-L885 PolarHBondContact O-N 3.33Å; L885-R888 PolarHBondContact O-N 3.21Å; L885-G889 PolarHBondContact O-N 3.13Å; L885-L890 HydrophobicContact CD2-CB 4.42Å; L885-L890 HydrophobicContact CD2-CD1 3.78Å; L885-L890 PolarHBondContact O-N 3.25Å; L885-L891 HydrophobicContact CB-CD2 3.37Å; L885-L891 HydrophobicContact CB-CG 3.63Å; L885-L891 HydrophobicContact CD1-CD2 3.6Å; L885-L891 HydrophobicContact CG-CD2 4.13Å; L885-L891 PolarHBondContact O-N 3.27Å; L885-L933 HydrophobicContact CD1-CD1 4.16Å; L885-L933 HydrophobicContact CD1-CD2 4.32Å
886	H	95.3	Very high	94	Very high	64 Å²	64	55.3 Å²	55.3	30%	0.296	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-49.3	172.5	177.9	75.8	0	0	0	111.6	L882 Q883 R888 G889 L891 L893	L882-H886 WeakPolarHBondContact O-CB 3.32Å; L882-H886 PolarHBondContact O-N 3.19Å; Q883-H886 PolarHBondContact NE2-CD2 3.18Å; Q883-H886 WeakPolarHBondContact O-CA 3.46Å; Q883-H886 WeakPolarHBondContact O-CB 3.4Å; Q883-H886 PolarHBondContact O-N 2.94Å; Q883-H886 VanDerWaalsContact O-N 3.09Å; H886-R888 PolarHBondContact O-N 3.36Å; H886-G889 WeakPolarHBondContact O-CA 3.3Å; H886-G889 PolarHBondContact O-N 3.14Å; H886-L891 WeakPolarHBondContact CA-O 3.49Å; H886-L891 HydrophobicContact CB-CD1 4.08Å; H886-L893 HydrophobicContact CB-CB 4.04Å; H886-L893 PolarHBondContact ND1-N 2.85Å
887	D	94.1	Very high	93.4	Very high	116 Å²	116	56.3 Å²	56.3	62%	0.62	28%	0.284	S	S	*	.	H	α-helix	trans	-63.8	-31.2	-178.9	-62.2	-14.9	0	0	0	111.8	Q883 G889	Q883-D887 PolarHBondContact NE2-OD1 3.44Å; Q883-D887 PolarHBondContact O-N 3.41Å; D887-G889 PolarHBondContact O-N 3.3Å
888	R	92.6	Very high	92.6	Very high	184 Å²	184	61.9 Å²	61.9	69%	0.694	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-2.9	172.5	-69.9	171.8	64.8	-171	0.4	113.7	A884 L885 H886 L890	A884-R888 WeakPolarHBondContact O-CB 3.43Å; A884-R888 WeakPolarHBondContact O-CD 3.06Å; A884-R888 WeakPolarHBondContact O-CG 3.32Å; A884-R888 PolarHBondContact O-N 2.86Å; L885-R888 PolarHBondContact O-N 3.21Å; H886-R888 PolarHBondContact O-N 3.36Å; R888-L890 HydrophobicContact CB-CD1 4.27Å; R888-L890 HydrophobicContact CB-CG 4.13Å; R888-L890 PolarHBondContact O-N 3.01Å
889	G	90.4	Very high	92	Very high	42 Å²	42	63.5 Å²	63.5	43%	0.433	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	9.1	-179.2	0	0	0	0	0	115	L885 H886 D887 R892	L885-G889 PolarHBondContact O-N 3.13Å; H886-G889 WeakPolarHBondContact O-CA 3.3Å; H886-G889 PolarHBondContact O-N 3.14Å; D887-G889 PolarHBondContact O-N 3.3Å; G889-R892 PolarHBondContact O-NH1 3.17Å
890	L	93.4	Very high	91.6	Very high	87 Å²	87	61.3 Å²	61.3	46%	0.455	32%	0.32	S	S	.	.	S	Bend	trans	-76.6	-27.7	-178.3	-64.3	177.4	0	0	0	112.5	L885 R888	L885-L890 HydrophobicContact CD2-CB 4.42Å; L885-L890 HydrophobicContact CD2-CD1 3.78Å; L885-L890 PolarHBondContact O-N 3.25Å; R888-L890 HydrophobicContact CB-CD1 4.27Å; R888-L890 HydrophobicContact CB-CG 4.13Å; R888-L890 PolarHBondContact O-N 3.01Å
891	L	95.4	Very high	90.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-139.3	169.7	171.6	69	83.6	0	0	0	111.2	L882 L885 H886 L893 A913 L929	L882-L891 HydrophobicContact CD2-CD2 4.03Å; L885-L891 HydrophobicContact CB-CD2 3.37Å; L885-L891 HydrophobicContact CB-CG 3.63Å; L885-L891 HydrophobicContact CD1-CD2 3.6Å; L885-L891 HydrophobicContact CG-CD2 4.13Å; L885-L891 PolarHBondContact O-N 3.27Å; H886-L891 WeakPolarHBondContact CA-O 3.49Å; H886-L891 HydrophobicContact CB-CD1 4.08Å; L891-L893 HydrophobicContact CD1-CB 3.77Å; L891-A913 CarbonylContact C-O 3.58Å; L891-A913 VanDerWaalsContact CA-O 3.25Å; L891-A913 WeakPolarHBondContact CA-O 3.45Å; L891-A913 WeakPolarHBondContact CB-O 3.36Å; L891-L929 HydrophobicContact CB-CD1 4.13Å; L891-L929 HydrophobicContact CD2-CD1 4.12Å; L891-L929 HydrophobicContact CD2-CD2 3.99Å
892	R	96.2	Very high	89.9	Confident	45 Å²	45	61.3 Å²	61.3	17%	0.17	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.4	164.7	-57.1	-62.4	177.8	-88.9	-7.8	108.1	E828 L859 G889 V912 A913	E828-R892 IonicContact OE1-CZ 3.35Å; E828-R892 IonicContact OE1-NE 3.51Å; E828-R892 PolarHBondContact OE1-NE 2.93Å; E828-R892 VanDerWaalsContact OE1-NE 3.14Å; E828-R892 IonicContact OE1-NH2 3.37Å; E828-R892 PolarHBondContact OE1-NH2 2.77Å; E828-R892 WeakPolarHBondContact OE2-CD 3.43Å; E828-R892 IonicContact OE2-CZ 3.6Å; E828-R892 IonicContact OE2-NE 3.44Å; E828-R892 PolarHBondContact OE2-NE 3.4Å; E828-R892 IonicContact OE2-NH2 2.86Å; L859-R892 HydrophobicContact CD2-CG 4.02Å; G889-R892 PolarHBondContact O-NH1 3.17Å; R892-V912 CarbonylContact O-C 3.55Å; R892-V912 WeakPolarHBondContact O-CA 3.49Å; R892-A913 HydrophobicContact CB-CB 4.15Å; R892-A913 PolarHBondContact N-O 3.14Å; R892-A913 PolarHBondContact O-N 3.18Å
893	L	95.1	Very high	88.8	Confident	16 Å²	16	63.5 Å²	63.5	8%	0.084	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.4	-178.6	175.7	65.3	0	0	0	107.9	L882 H886 L891 L895 C910 V912	L882-L893 HydrophobicContact CB-CD1 4.11Å; L882-L893 HydrophobicContact CB-CD2 3.83Å; L882-L893 HydrophobicContact CD1-CD1 4.1Å; H886-L893 HydrophobicContact CB-CB 4.04Å; H886-L893 PolarHBondContact ND1-N 2.85Å; L891-L893 HydrophobicContact CD1-CB 3.77Å; L893-L895 HydrophobicContact CD1-CD2 4.17Å; L893-L895 HydrophobicContact CD2-CD2 4.18Å; L893-L895 HydrophobicContact CD2-CG 4.12Å; L893-L895 HydrophobicContact CG-CD2 4.32Å; L893-L895 HydrophobicContact CG-CG 4.21Å; L893-C910 HydrophobicContact CD1-CB 4.01Å; L893-V912 HydrophobicContact CD1-CG1 4.1Å
894	N	92.7	Very high	87.8	Confident	18 Å²	18	67.2 Å²	67.2	10%	0.096	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	113.5	166.9	-64.6	73.1	0	0	0	107.5	D824 C910 S911	D824-N894 PolarHBondContact OD2-ND2 3.28Å; N894-C910 CarbonylContact O-C 3.52Å; N894-C910 WeakPolarHBondContact O-CA 3.36Å; N894-C910 VanDerWaalsContact O-CB 3.27Å; N894-C910 WeakPolarHBondContact O-CB 3.4Å; N894-S911 WeakPolarHBondContact CB-OG 3.4Å; N894-S911 PolarHBondContact N-O 3.18Å; N894-S911 PolarHBondContact O-N 3.2Å
895	L	90	Very high	87	Confident	41 Å²	41	66.6 Å²	66.6	22%	0.215	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	133.2	175.4	-68.5	174	0	0	0	109.5	R879 L893 Y909 C910	R879-L895 HydrophobicContact CG-CD1 4.22Å; L893-L895 HydrophobicContact CD1-CD2 4.17Å; L893-L895 HydrophobicContact CD2-CD2 4.18Å; L893-L895 HydrophobicContact CD2-CG 4.12Å; L893-L895 HydrophobicContact CG-CD2 4.32Å; L893-L895 HydrophobicContact CG-CG 4.21Å; L895-Y909 HydrophobicContact CD2-CE1 4.24Å; L895-C910 HydrophobicContact CD2-CB 3.9Å
896	L	85.8	Confident	86.1	Confident	26 Å²	26	66.8 Å²	66.8	14%	0.136	36%	0.358	C	S	.	.			trans	-113.5	-42.4	-174.4	-55.5	173.6	0	0	0	110.4	F820 P908 Y909	F820-L896 HydrophobicContact CD1-CD1 3.43Å; F820-L896 VanDerWaalsContact CD1-CD1 3.43Å; F820-L896 HydrophobicContact CD1-CD2 3.58Å; F820-L896 HydrophobicContact CD1-CG 4.1Å; F820-L896 HydrophobicContact CE1-CD1 3.7Å; F820-L896 HydrophobicContact CE1-CD2 4.32Å; L896-P908 VanDerWaalsContact CB-O 3.31Å; L896-P908 WeakPolarHBondContact CB-O 3.17Å; L896-P908 HydrophobicContact CD1-CB 3.74Å; L896-P908 WeakPolarHBondContact CD1-O 3.48Å; L896-Y909 WeakPolarHBondContact CB-O 3.35Å; L896-Y909 PolarHBondContact N-O 2.89Å
897	E	81.6	Confident	85.6	Confident	91 Å²	91	66 Å²	66	43%	0.425	35%	0.354	S	S	.	.			trans	-117.1	157	177.8	-73.2	-61.9	156.2	0	0	112.4	Y909	E897-Y909 HydrophobicContact CB-CD2 3.84Å; E897-Y909 PolarHBondContact N-O 3.31Å; E897-Y909 VanDerWaalsContact N-O 3.11Å; E897-Y909 VanDerWaalsContact O-CE2 3.3Å; E897-Y909 WeakPolarHBondContact O-CE2 3.43Å
898	E	78.7	Confident	85.3	Confident	116 Å²	116	60.7 Å²	60.7	54%	0.542	33%	0.326	S	S	.	.	S	Bend	trans	-94.2	-29.5	175.2	-65.8	-159.1	134.2	0	0	113.2	V527	V527-E898 HydrophobicContact CB-CG 3.98Å; V527-E898 HydrophobicContact CG1-CG 4.16Å; V527-E898 WeakPolarHBondContact CG1-OE1 3.4Å; V527-E898 HydrophobicContact CG2-CG 3.9Å; V527-E898 WeakPolarHBondContact CG2-OE1 3.35Å
899	A	82.1	Confident	85.2	Confident	54 Å²	54	52.4 Å²	52.4	45%	0.446	30%	0.295	S	S	.	.	S	Bend	trans	-110.6	137.8	-170.6	0	0	0	0	0	111.7	V901	A899-V901 HydrophobicContact CB-CG2 3.98Å; A899-V901 PolarHBondContact O-N 2.97Å; A899-V901 VanDerWaalsContact O-N 3.08Å
900	L	84.9	Confident	85.4	Confident	57 Å²	57	50.4 Å²	50.4	30%	0.298	28%	0.275	S	S	.	.			trans	-85.7	62.3	173.2	-66	174.9	0	0	0	110.4	V866 L870 L873 Y909	V866-L900 HydrophobicContact CG1-CB 4.4Å; V866-L900 HydrophobicContact CG2-CD2 4.23Å; L870-L900 HydrophobicContact CD1-CB 4.16Å; L873-L900 HydrophobicContact CB-CD1 4.24Å; L873-L900 HydrophobicContact CB-CD2 3.92Å; L873-L900 HydrophobicContact CD1-CD2 3.78Å; L873-L900 HydrophobicContact CG-CD2 4.44Å; L900-Y909 HydrophobicContact CD2-CD1 3.98Å; L900-Y909 HydrophobicContact CD2-CD2 3.67Å; L900-Y909 HydrophobicContact CD2-CE1 3.92Å; L900-Y909 HydrophobicContact CD2-CE2 3.62Å; L900-Y909 HydrophobicContact CD2-CG 3.87Å; L900-Y909 HydrophobicContact CG-CE2 4.21Å
901	V	80.3	Confident	85.5	Confident	107 Å²	107	46.3 Å²	46.3	65%	0.648	25%	0.253	S	S	*	.			trans	-108.9	118.9	178.9	-178	0	0	0	0	109	A899 G903	A899-V901 HydrophobicContact CB-CG2 3.98Å; A899-V901 PolarHBondContact O-N 2.97Å; A899-V901 VanDerWaalsContact O-N 3.08Å; V901-G903 PolarHBondContact O-N 3.19Å
902	P	74.9	Confident	85.5	Confident	78 Å²	78	46.3 Å²	46.3	51%	0.506	25%	0.253	S	S	.	.			trans	-71.7	127.1	173.2	28.5	-31.4	0	0	0	109.9	V866	V866-P902 HydrophobicContact CG1-CB 4.4Å
903	G	73.5	Confident	85.6	Confident	46 Å²	46	44.2 Å²	44.2	47%	0.474	25%	0.245	S	C	.	.			trans	-105.4	162.3	174	0	0	0	0	0	112.5	V901	V901-G903 PolarHBondContact O-N 3.19Å
904	E	75.1	Confident	85.7	Confident	147 Å²	147	43.6 Å²	43.6	69%	0.687	24%	0.242	S	C	*	.	S	Bend	trans	-69.3	-38.9	170.4	-178.7	171	-173.5	0	0	111.4
905	Y	78.9	Confident	85.9	Confident	36 Å²	36	44.3 Å²	44.3	14%	0.141	25%	0.251	C	S	.	.	S	Bend	trans	-99.1	93.2	169.3	-57.9	-75.4	0	0	0	107.2	V683 I701 D704 L705	V683-Y905 HydrophobicContact CG1-CD1 3.92Å; V683-Y905 HydrophobicContact CG1-CG 3.91Å; I701-Y905 HydrophobicContact CD1-CE1 3.77Å; D704-Y905 HydrophobicContact CB-CE2 4.07Å; D704-Y905 WeakPolarHBondContact CB-OH 3.38Å; D704-Y905 PolarHBondContact OD2-OH 2.86Å; L705-Y905 HydrophobicContact CD1-CE1 4.25Å; L705-Y905 HydrophobicContact CD1-CE2 4.31Å; L705-Y905 HydrophobicContact CD2-CD2 3.88Å; L705-Y905 HydrophobicContact CD2-CE2 3.76Å; L705-Y905 HydrophobicContact CG-CD2 4.48Å; L705-Y905 HydrophobicContact CG-CE2 4.01Å
906	E	77.4	Confident	86	Confident	31 Å²	31	42.8 Å²	42.8	15%	0.145	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-87.4	124.2	-171.1	-178.7	174.1	-138.8	0	0	112.3	L865 V866 S867	L865-E906 WeakPolarHBondContact CB-OE1 3.34Å; L865-E906 HydrophobicContact CD2-CG 4.28Å; V866-E906 PolarHBondContact N-OE1 3.33Å; S867-E906 WeakPolarHBondContact CA-OE1 3.45Å; S867-E906 WeakPolarHBondContact CB-OE1 3.5Å; S867-E906 WeakPolarHBondContact CB-OE2 3.43Å; S867-E906 PolarHBondContact N-OE1 3.44Å; S867-E906 PolarHBondContact OG-OE1 2.94Å; S867-E906 PolarHBondContact OG-OE2 3.38Å
907	E	83.6	Confident	86.2	Confident	47 Å²	47	46.1 Å²	46.1	22%	0.22	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-98.8	156.3	166.4	-68.1	-169.1	77.2	0	0	111.5	V683 H711 Y909	V683-E907 HydrophobicContact CG2-CG 4.23Å; H711-E907 IonicContact CE1-OE2 3.85Å; H711-E907 PolarHBondContact CE1-OE2 3.46Å; H711-E907 IonicContact ND1-OE2 2.99Å; H711-E907 IonicContact NE2-OE2 3.61Å; E907-Y909 PolarHBondContact O-N 3.04Å
908	P	88.8	Confident	86.7	Confident	6 Å²	6	43.8 Å²	43.8	4%	0.039	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	132.6	172.9	-21	33.6	0	0	0	112.4	M863 L865 L896	M863-P908 HydrophobicContact CB-CB 4.1Å; M863-P908 HydrophobicContact CB-CG 4.21Å; M863-P908 HydrophobicContact CG-CB 4.36Å; M863-P908 HydrophobicContact CG-CG 4.18Å; M863-P908 HydrophobicContact SD-CB 4.14Å; M863-P908 HydrophobicContact SD-CG 4.27Å; L865-P908 HydrophobicContact CD2-CB 4.22Å; L865-P908 HydrophobicContact CD2-CG 4.1Å; L896-P908 VanDerWaalsContact CB-O 3.31Å; L896-P908 WeakPolarHBondContact CB-O 3.17Å; L896-P908 HydrophobicContact CD1-CB 3.74Å; L896-P908 WeakPolarHBondContact CD1-O 3.48Å
909	Y	91.1	Very high	87.3	Confident	10 Å²	10	39.7 Å²	39.7	4%	0.039	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-41.7	174.8	167.8	-100.9	0	0	0	111.9	C864 V866 L873 L895 L896 E897 L900 E907	C864-Y909 PolarHBondContact O-N 3.48Å; V866-Y909 HydrophobicContact CG2-CG 4.34Å; L873-Y909 HydrophobicContact CD1-CD1 3.8Å; L873-Y909 HydrophobicContact CD1-CE1 4.44Å; L873-Y909 HydrophobicContact CD1-CG 4.29Å; L873-Y909 HydrophobicContact CD2-CD1 4.01Å; L873-Y909 HydrophobicContact CD2-CE1 4.13Å; L895-Y909 HydrophobicContact CD2-CE1 4.24Å; L896-Y909 WeakPolarHBondContact CB-O 3.35Å; L896-Y909 PolarHBondContact N-O 2.89Å; E897-Y909 HydrophobicContact CB-CD2 3.84Å; E897-Y909 PolarHBondContact N-O 3.31Å; E897-Y909 VanDerWaalsContact N-O 3.11Å; E897-Y909 VanDerWaalsContact O-CE2 3.3Å; E897-Y909 WeakPolarHBondContact O-CE2 3.43Å; L900-Y909 HydrophobicContact CD2-CD1 3.98Å; L900-Y909 HydrophobicContact CD2-CD2 3.67Å; L900-Y909 HydrophobicContact CD2-CE1 3.92Å; L900-Y909 HydrophobicContact CD2-CE2 3.62Å; L900-Y909 HydrophobicContact CD2-CG 3.87Å; L900-Y909 HydrophobicContact CG-CE2 4.21Å; E907-Y909 PolarHBondContact O-N 3.04Å
910	C	93.5	Very high	87.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	166.3	175.5	69.5	0	0	0	0	111.2	C864 L893 N894 L895	C864-C910 WeakPolarHBondContact CB-O 3.31Å; C864-C910 PolarHBondContact N-O 2.81Å; L893-C910 HydrophobicContact CD1-CB 4.01Å; N894-C910 CarbonylContact O-C 3.52Å; N894-C910 WeakPolarHBondContact O-CA 3.36Å; N894-C910 VanDerWaalsContact O-CB 3.27Å; N894-C910 WeakPolarHBondContact O-CB 3.4Å; L895-C910 HydrophobicContact CD2-CB 3.9Å
911	S	95.1	Very high	88.3	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.007	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.7	164	74.7	0	0	0	0	111	Y821 V862 N894	Y821-S911 WeakPolarHBondContact CD1-OG 2.93Å; V862-S911 WeakPolarHBondContact O-CA 3.28Å; N894-S911 WeakPolarHBondContact CB-OG 3.4Å; N894-S911 PolarHBondContact N-O 3.18Å; N894-S911 PolarHBondContact O-N 3.2Å
912	V	97.1	Very high	89.1	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.6	171.9	-64.7	0	0	0	0	110.4	G861 V862 L882 R892 L893 L926 I935	G861-V912 CarbonylContact C-O 3.51Å; G861-V912 WeakPolarHBondContact CA-O 3.32Å; V862-V912 HydrophobicContact CG2-CG2 3.65Å; V862-V912 PolarHBondContact N-O 3.29Å; V862-V912 PolarHBondContact O-N 2.88Å; L882-V912 HydrophobicContact CD1-CG1 4.25Å; L882-V912 HydrophobicContact CD2-CG1 4.01Å; R892-V912 CarbonylContact O-C 3.55Å; R892-V912 WeakPolarHBondContact O-CA 3.49Å; L893-V912 HydrophobicContact CD1-CG1 4.1Å; V912-L926 HydrophobicContact CG2-CD1 4.32Å; V912-I935 HydrophobicContact CG2-CD1 4.12Å
913	A	97.9	Very high	90.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	157.1	-177.9	0	0	0	0	0	113	W825 V860 L891 R892	W825-A913 HydrophobicContact CH2-CB 4.35Å; W825-A913 HydrophobicContact CZ2-CB 3.42Å; W825-A913 VanDerWaalsContact CZ2-CB 3.42Å; V860-A913 CarbonylContact O-C 3.33Å; V860-A913 WeakPolarHBondContact O-CA 3.42Å; V860-A913 VanDerWaalsContact O-CB 3.32Å; V860-A913 WeakPolarHBondContact O-CB 3.17Å; L891-A913 CarbonylContact C-O 3.58Å; L891-A913 VanDerWaalsContact CA-O 3.25Å; L891-A913 WeakPolarHBondContact CA-O 3.45Å; L891-A913 WeakPolarHBondContact CB-O 3.36Å; R892-A913 HydrophobicContact CB-CB 4.15Å; R892-A913 PolarHBondContact N-O 3.14Å; R892-A913 PolarHBondContact O-N 3.18Å
914	C	97.6	Very high	91.2	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.02	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.7	172.7	-72	0	0	0	0	111	V860 R925 L926	V860-C914 PolarHBondContact N-O 2.92Å; V860-C914 VanDerWaalsContact N-O 3.15Å; V860-C914 PolarHBondContact O-N 2.75Å; C914-R925 HydrophobicContact CB-CB 4.04Å; C914-L926 HydrophobicContact CB-CB 4.03Å
915	A	95.8	Very high	92.2	Very high	33 Å²	33	35.4 Å²	35.4	27%	0.273	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	146.8	174.1	0	0	0	0	0	111.8	H858 L859 R925	H858-A915 CarbonylContact O-C 3.5Å; H858-A915 VanDerWaalsContact O-CA 3.25Å; H858-A915 WeakPolarHBondContact O-CA 3.38Å; L859-A915 HydrophobicContact CD2-CB 3.77Å; A915-R925 PolarHBondContact O-NH1 3.45Å; A915-R925 VanDerWaalsContact O-NH1 3.07Å
916	G	93.3	Very high	93.1	Very high	9 Å²	9	33.7 Å²	33.7	9%	0.093	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	163.2	175.1	0	0	0	0	0	112.6	H858	H858-G916 PolarHBondContact N-O 2.95Å; H858-G916 PolarHBondContact O-N 2.63Å
917	S	89.6	Confident	94	Very high	96 Å²	96	33.8 Å²	33.8	67%	0.671	18%	0.184	S	C	*	.	S	Bend	trans	-73	-21.7	172.9	66.6	0	0	0	0	112.4	H858 E921	H858-S917 PolarHBondContact ND1-O 2.9Å; S917-E921 WeakPolarHBondContact CB-OE2 3.47Å; S917-E921 PolarHBondContact N-OE2 3.03Å; S917-E921 PolarHBondContact OG-OE2 3.07Å
918	S	91.2	Very high	94.7	Very high	43 Å²	43	33.5 Å²	33.5	30%	0.301	19%	0.194	S	C	.	.	S	Bend	trans	-134.1	159.6	174	64.3	0	0	0	0	111.1	H858 T920 E921 A922	H858-S918 WeakPolarHBondContact ND1-CA 3.21Å; S918-T920 PolarHBondContact O-N 2.74Å; S918-E921 PolarHBondContact O-N 3.19Å; S918-E921 WeakPolarHBondContact OG-CB 3.4Å; S918-E921 PolarHBondContact OG-N 3.32Å; S918-E921 VanDerWaalsContact OG-N 3.16Å; S918-A922 PolarHBondContact O-N 2.92Å; S918-A922 VanDerWaalsContact O-N 3.08Å
919	P	91.7	Very high	95	Very high	30 Å²	30	34.9 Å²	34.9	20%	0.195	20%	0.2	C	C	.	.	H	α-helix	trans	-56.9	-40.4	173.9	-19.7	28.5	0	0	0	111.7	H858 E921 A922 R923	H858-P919 VanDerWaalsContact CD2-CG 3.45Å; H858-P919 WeakPolarHBondContact CD2-CG 3.33Å; P919-E921 PolarHBondContact O-N 2.93Å; P919-A922 PolarHBondContact O-N 3.08Å; P919-R923 WeakPolarHBondContact O-CB 3.41Å; P919-R923 PolarHBondContact O-N 2.67Å
920	T	94	Very high	95.3	Very high	53 Å²	53	34.4 Å²	34.4	33%	0.325	20%	0.198	S	C	.	.	H	α-helix	trans	-63	-43.7	179.3	-70.5	0	0	0	0	112.1	S918 R923 L924	S918-T920 PolarHBondContact O-N 2.74Å; T920-R923 PolarHBondContact O-N 3.28Å; T920-L924 HydrophobicContact CG2-CD1 3.94Å; T920-L924 HydrophobicContact CG2-CG 4.42Å; T920-L924 WeakPolarHBondContact O-CB 3.29Å; T920-L924 VanDerWaalsContact O-CG 3.29Å; T920-L924 WeakPolarHBondContact O-CG 3.43Å; T920-L924 PolarHBondContact O-N 3.05Å
921	E	94.8	Very high	95.5	Very high	52 Å²	52	39.4 Å²	39.4	24%	0.243	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-47.5	177.7	-175.8	-172.3	-178.2	0	0	111.6	S917 S918 P919 R923 L924 R925	S917-E921 WeakPolarHBondContact CB-OE2 3.47Å; S917-E921 PolarHBondContact N-OE2 3.03Å; S917-E921 PolarHBondContact OG-OE2 3.07Å; S918-E921 PolarHBondContact O-N 3.19Å; S918-E921 WeakPolarHBondContact OG-CB 3.4Å; S918-E921 PolarHBondContact OG-N 3.32Å; S918-E921 VanDerWaalsContact OG-N 3.16Å; P919-E921 PolarHBondContact O-N 2.93Å; E921-R923 VanDerWaalsContact C-N 3.3Å; E921-R923 PolarHBondContact O-N 3.44Å; E921-L924 PolarHBondContact O-N 2.93Å; E921-R925 WeakPolarHBondContact O-CB 3.38Å; E921-R925 WeakPolarHBondContact O-CG 3.4Å; E921-R925 PolarHBondContact O-N 3.39Å; E921-R925 IonicContact OE1-CZ 2.66Å; E921-R925 IonicContact OE1-NE 3.81Å; E921-R925 IonicContact OE1-NH1 2.89Å; E921-R925 PolarHBondContact OE1-NH1 2.76Å; E921-R925 IonicContact OE1-NH2 3.54Å; E921-R925 PolarHBondContact OE1-NH2 2.95Å
922	A	95.8	Very high	95.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.5	-45.2	177.3	0	0	0	0	0	111	H858 V860 S918 P919 R925 L926	H858-A922 HydrophobicContact CB-CB 4.41Å; V860-A922 HydrophobicContact CB-CB 4.14Å; V860-A922 HydrophobicContact CG2-CB 3.72Å; S918-A922 PolarHBondContact O-N 2.92Å; S918-A922 VanDerWaalsContact O-N 3.08Å; P919-A922 PolarHBondContact O-N 3.08Å; A922-R925 PolarHBondContact O-N 3.36Å; A922-L926 WeakPolarHBondContact O-CB 3.05Å; A922-L926 PolarHBondContact O-N 3.39Å
923	R	96.1	Very high	95.4	Very high	52 Å²	52	43.3 Å²	43.3	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-49.3	177.3	-171	-177.3	66.9	-156.8	-2.4	112.9	P919 T920 E921 L926 L927 L946 F949	P919-R923 WeakPolarHBondContact O-CB 3.41Å; P919-R923 PolarHBondContact O-N 2.67Å; T920-R923 PolarHBondContact O-N 3.28Å; E921-R923 VanDerWaalsContact C-N 3.3Å; E921-R923 PolarHBondContact O-N 3.44Å; R923-L926 PolarHBondContact O-N 2.95Å; R923-L927 WeakPolarHBondContact O-CB 3.24Å; R923-L927 PolarHBondContact O-N 3.05Å; R923-L946 WeakPolarHBondContact CD-O 3.24Å; R923-L946 HydrophobicContact CG-CB 3.75Å; R923-L946 HydrophobicContact CG-CD1 3.97Å; R923-L946 HydrophobicContact CG-CG 4.37Å; R923-F949 PolarHBondContact NH1-O 2.66Å
924	L	96.3	Very high	95.3	Very high	105 Å²	105	45.4 Å²	45.4	55%	0.55	28%	0.279	S	S	.	.	H	α-helix	trans	-66	-39.3	-178.5	-72.5	173.4	0	0	0	111.7	T920 E921 G928	T920-L924 HydrophobicContact CG2-CD1 3.94Å; T920-L924 HydrophobicContact CG2-CG 4.42Å; T920-L924 WeakPolarHBondContact O-CB 3.29Å; T920-L924 VanDerWaalsContact O-CG 3.29Å; T920-L924 WeakPolarHBondContact O-CG 3.43Å; T920-L924 PolarHBondContact O-N 3.05Å; E921-L924 PolarHBondContact O-N 2.93Å; L924-G928 PolarHBondContact O-N 2.99Å
925	R	96.5	Very high	95.2	Very high	137 Å²	137	45.3 Å²	45.3	52%	0.517	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-49.1	173.7	-76.2	-179	174	170	3.2	111.7	C914 A915 E921 A922 L927 G928 L929	C914-R925 HydrophobicContact CB-CB 4.04Å; A915-R925 PolarHBondContact O-NH1 3.45Å; A915-R925 VanDerWaalsContact O-NH1 3.07Å; E921-R925 WeakPolarHBondContact O-CB 3.38Å; E921-R925 WeakPolarHBondContact O-CG 3.4Å; E921-R925 PolarHBondContact O-N 3.39Å; E921-R925 IonicContact OE1-CZ 2.66Å; E921-R925 IonicContact OE1-NE 3.81Å; E921-R925 IonicContact OE1-NH1 2.89Å; E921-R925 PolarHBondContact OE1-NH1 2.76Å; E921-R925 IonicContact OE1-NH2 3.54Å; E921-R925 PolarHBondContact OE1-NH2 2.95Å; A922-R925 PolarHBondContact O-N 3.36Å; R925-L927 PolarHBondContact O-N 2.97Å; R925-G928 PolarHBondContact O-N 3Å; R925-L929 WeakPolarHBondContact O-CB 3.42Å; R925-L929 PolarHBondContact O-N 2.6Å
926	L	97.7	Very high	95.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-47.4	178.5	-178	66.5	0	0	0	111.2	V860 V862 V912 C914 A922 R923 G928 L929 C930 L946	V860-L926 HydrophobicContact CG1-CD2 4.02Å; V860-L926 WeakPolarHBondContact O-CD2 3.35Å; V862-L926 HydrophobicContact CG1-CD2 4.07Å; V862-L926 HydrophobicContact CG2-CD2 4.4Å; V912-L926 HydrophobicContact CG2-CD1 4.32Å; C914-L926 HydrophobicContact CB-CB 4.03Å; A922-L926 WeakPolarHBondContact O-CB 3.05Å; A922-L926 PolarHBondContact O-N 3.39Å; R923-L926 PolarHBondContact O-N 2.95Å; L926-G928 PolarHBondContact O-N 3.36Å; L926-L929 PolarHBondContact O-N 3.4Å; L926-C930 WeakPolarHBondContact O-CB 3.28Å; L926-C930 PolarHBondContact O-N 2.68Å; L926-C930 PolarHBondContact O-SG 2.85Å; L926-C930 VanDerWaalsContact O-SG 3.35Å; L926-L946 HydrophobicContact CB-CD1 4.45Å; L926-L946 HydrophobicContact CD2-CD1 3.94Å; L926-L946 HydrophobicContact CD2-CD2 3.98Å; L926-L946 HydrophobicContact CG-CD1 4.32Å
927	L	97.1	Very high	95.1	Very high	33 Å²	33	46.5 Å²	46.5	17%	0.173	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-47.7	-179.9	-179.9	60.8	0	0	0	111.8	R923 R925 L929 C930 Q931 V942 A943 L946	R923-L927 WeakPolarHBondContact O-CB 3.24Å; R923-L927 PolarHBondContact O-N 3.05Å; R925-L927 PolarHBondContact O-N 2.97Å; L927-L929 VanDerWaalsContact C-N 3.29Å; L927-L929 PolarHBondContact O-N 2.95Å; L927-C930 PolarHBondContact O-N 3.01Å; L927-Q931 HydrophobicContact CD1-CG 4.3Å; L927-Q931 WeakPolarHBondContact O-CB 3.3Å; L927-Q931 VanDerWaalsContact O-CG 3.32Å; L927-Q931 WeakPolarHBondContact O-CG 3.41Å; L927-Q931 PolarHBondContact O-N 3.4Å; L927-V942 HydrophobicContact CD1-CB 4.36Å; L927-V942 HydrophobicContact CD1-CG1 4.03Å; L927-A943 HydrophobicContact CD1-CB 3.95Å; L927-A943 HydrophobicContact CD2-CB 4.28Å; L927-L946 HydrophobicContact CB-CD1 4.24Å
928	G	96.9	Very high	95.1	Very high	41 Å²	41	48.7 Å²	48.7	42%	0.423	30%	0.296	S	S	.	.	H	α-helix	trans	-61.3	-38.2	177.7	0	0	0	0	0	112.6	L924 R925 L926 G932	L924-G928 PolarHBondContact O-N 2.99Å; R925-G928 PolarHBondContact O-N 3Å; L926-G928 PolarHBondContact O-N 3.36Å; G928-G932 PolarHBondContact O-N 3.06Å
929	L	96.3	Very high	94.9	Very high	34 Å²	34	50.3 Å²	50.3	18%	0.178	31%	0.307	C	S	.	.	H	α-helix	trans	-68.3	-46.8	176.3	-168.5	151.3	0	0	0	111.3	L891 R925 L926 L927 Q931 G932 L933	L891-L929 HydrophobicContact CB-CD1 4.13Å; L891-L929 HydrophobicContact CD2-CD1 4.12Å; L891-L929 HydrophobicContact CD2-CD2 3.99Å; R925-L929 WeakPolarHBondContact O-CB 3.42Å; R925-L929 PolarHBondContact O-N 2.6Å; L926-L929 PolarHBondContact O-N 3.4Å; L927-L929 VanDerWaalsContact C-N 3.29Å; L927-L929 PolarHBondContact O-N 2.95Å; L929-Q931 VanDerWaalsContact C-N 3.31Å; L929-Q931 PolarHBondContact O-N 2.93Å; L929-G932 PolarHBondContact O-N 3.11Å; L929-L933 HydrophobicContact CD2-CD1 3.35Å; L929-L933 HydrophobicContact CD2-CG 3.94Å; L929-L933 HydrophobicContact CG-CD1 4.33Å; L929-L933 WeakPolarHBondContact O-CB 3.43Å; L929-L933 WeakPolarHBondContact O-CG 3.44Å; L929-L933 PolarHBondContact O-N 2.97Å
930	C	97.4	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.9	-38.5	177.2	-71.3	0	0	0	0	112.4	L926 L927 L933 G934 I935 D936 V942	L926-C930 WeakPolarHBondContact O-CB 3.28Å; L926-C930 PolarHBondContact O-N 2.68Å; L926-C930 PolarHBondContact O-SG 2.85Å; L926-C930 VanDerWaalsContact O-SG 3.35Å; L927-C930 PolarHBondContact O-N 3.01Å; C930-L933 PolarHBondContact O-N 3.16Å; C930-G934 PolarHBondContact O-N 3.26Å; C930-I935 HydrophobicContact CB-CB 4.04Å; C930-I935 HydrophobicContact CB-CG2 4.36Å; C930-I935 PolarHBondContact O-N 3.28Å; C930-D936 HydrophobicContact CB-CB 4.28Å; C930-D936 PolarHBondContact O-N 3.19Å; C930-V942 HydrophobicContact CB-CG1 4.2Å; C930-V942 HydrophobicContact CB-CG2 4.33Å
931	Q	96.6	Very high	94.9	Very high	105 Å²	105	48.8 Å²	48.8	49%	0.491	30%	0.297	S	S	.	.	H	α-helix	trans	-65.4	-44.3	173.8	-74.6	174.3	-14	0	0	111.9	L927 L929 L933 G934 D936	L927-Q931 HydrophobicContact CD1-CG 4.3Å; L927-Q931 WeakPolarHBondContact O-CB 3.3Å; L927-Q931 VanDerWaalsContact O-CG 3.32Å; L927-Q931 WeakPolarHBondContact O-CG 3.41Å; L927-Q931 PolarHBondContact O-N 3.4Å; L929-Q931 VanDerWaalsContact C-N 3.31Å; L929-Q931 PolarHBondContact O-N 2.93Å; Q931-L933 VanDerWaalsContact C-N 3.31Å; Q931-L933 PolarHBondContact O-N 2.85Å; Q931-G934 PolarHBondContact O-N 2.93Å; Q931-D936 HydrophobicContact CG-CB 3.83Å; Q931-D936 VanDerWaalsContact CG-OD2 3.29Å; Q931-D936 WeakPolarHBondContact CG-OD2 3.28Å; Q931-D936 PolarHBondContact NE2-OD2 3.46Å
932	G	95.4	Very high	95	Very high	63 Å²	63	46.3 Å²	46.3	65%	0.649	29%	0.286	S	S	*	.	H	α-helix	trans	-65.2	-32.5	177.1	0	0	0	0	0	113.6	G928 L929	G928-G932 PolarHBondContact O-N 3.06Å; L929-G932 PolarHBondContact O-N 3.11Å
933	L	95.8	Very high	94.9	Very high	20 Å²	20	48.6 Å²	48.6	11%	0.105	31%	0.305	C	S	.	.	H	α-helix	trans	-88.3	-6.8	178.4	-65.7	-171.1	0	0	0	114	T876 A877 L882 L885 L929 C930 Q931 I935	T876-L933 WeakPolarHBondContact CB-O 3.07Å; T876-L933 WeakPolarHBondContact O-CD2 3.4Å; T876-L933 PolarHBondContact OG1-O 2.79Å; A877-L933 HydrophobicContact CB-CB 4.25Å; A877-L933 HydrophobicContact CB-CD1 4.4Å; L882-L933 HydrophobicContact CD2-CD1 3.63Å; L885-L933 HydrophobicContact CD1-CD1 4.16Å; L885-L933 HydrophobicContact CD1-CD2 4.32Å; L929-L933 HydrophobicContact CD2-CD1 3.35Å; L929-L933 HydrophobicContact CD2-CG 3.94Å; L929-L933 HydrophobicContact CG-CD1 4.33Å; L929-L933 WeakPolarHBondContact O-CB 3.43Å; L929-L933 WeakPolarHBondContact O-CG 3.44Å; L929-L933 PolarHBondContact O-N 2.97Å; C930-L933 PolarHBondContact O-N 3.16Å; Q931-L933 VanDerWaalsContact C-N 3.31Å; Q931-L933 PolarHBondContact O-N 2.85Å; L933-I935 VanDerWaalsContact C-N 3.28Å; L933-I935 HydrophobicContact CB-CD1 4.11Å; L933-I935 HydrophobicContact CB-CG1 4.09Å; L933-I935 HydrophobicContact CD1-CD1 4.06Å; L933-I935 PolarHBondContact O-N 2.92Å
934	G	95.3	Very high	94.8	Very high	44 Å²	44	50.5 Å²	50.5	45%	0.454	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	21.3	-175.7	0	0	0	0	0	114.3	C930 Q931	C930-G934 PolarHBondContact O-N 3.26Å; Q931-G934 PolarHBondContact O-N 2.93Å
935	I	96.4	Very high	94.7	Very high	2 Å²	2	46 Å²	46	1%	0.01	29%	0.292	C	S	.	.			trans	-77.2	-36.4	171.4	-62.5	171.6	0	0	0	109.8	H869 A877 V912 C930 L933 V942	H869-I935 PolarHBondContact CD2-O 3.44Å; H869-I935 VanDerWaalsContact CD2-O 3.28Å; H869-I935 PolarHBondContact NE2-O 3.2Å; A877-I935 HydrophobicContact CB-CD1 4.22Å; A877-I935 HydrophobicContact CB-CG1 4.16Å; V912-I935 HydrophobicContact CG2-CD1 4.12Å; C930-I935 HydrophobicContact CB-CB 4.04Å; C930-I935 HydrophobicContact CB-CG2 4.36Å; C930-I935 PolarHBondContact O-N 3.28Å; L933-I935 VanDerWaalsContact C-N 3.28Å; L933-I935 HydrophobicContact CB-CD1 4.11Å; L933-I935 HydrophobicContact CB-CG1 4.09Å; L933-I935 HydrophobicContact CD1-CD1 4.06Å; L933-I935 PolarHBondContact O-N 2.92Å; I935-V942 HydrophobicContact CG2-CG2 4.41Å
936	D	95.9	Very high	94.6	Very high	43 Å²	43	39.6 Å²	39.6	23%	0.23	27%	0.268	C	S	.	.			trans	-75.1	131	172.7	-175.4	44.9	0	0	0	110.6	C930 Q931 V942	C930-D936 HydrophobicContact CB-CB 4.28Å; C930-D936 PolarHBondContact O-N 3.19Å; Q931-D936 HydrophobicContact CG-CB 3.83Å; Q931-D936 VanDerWaalsContact CG-OD2 3.29Å; Q931-D936 WeakPolarHBondContact CG-OD2 3.28Å; Q931-D936 PolarHBondContact NE2-OD2 3.46Å; D936-V942 HydrophobicContact CB-CB 4.06Å; D936-V942 HydrophobicContact CB-CG2 4.06Å; D936-V942 WeakPolarHBondContact OD1-CB 3.31Å; D936-V942 PolarHBondContact OD1-N 3.08Å
937	G	91.1	Very high	94.3	Very high	24 Å²	24	42 Å²	42	25%	0.247	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-162.4	172.5	-179.8	0	0	0	0	0	114.2	S939 Y940 P941	G937-S939 VanDerWaalsContact C-N 3.31Å; G937-S939 PolarHBondContact O-N 2.78Å; G937-Y940 PolarHBondContact N-O 3.38Å; G937-Y940 CarbonylContact O-C 3.33Å; G937-Y940 PolarHBondContact O-N 3.17Å; G937-Y940 VanDerWaalsContact O-N 3.17Å; G937-Y940 VanDerWaalsContact O-O 3.14Å; G937-P941 WeakPolarHBondContact O-CA 3.44Å
938	P	88.4	Confident	93.9	Very high	142 Å²	142	45 Å²	45	92%	0.922	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.2	-175.7	-23.6	33.8	0	0	0	114.5
939	S	86.6	Confident	93.5	Very high	77 Å²	77	43.3 Å²	43.3	54%	0.538	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-14.3	178.8	61.6	0	0	0	0	113.7	Q868 G937	Q868-S939 VanDerWaalsContact OE1-CB 3.27Å; Q868-S939 PolarHBondContact OE1-OG 2.82Å; G937-S939 VanDerWaalsContact C-N 3.31Å; G937-S939 PolarHBondContact O-N 2.78Å
940	Y	92.6	Very high	92.3	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-138.5	73.2	177.9	-158.6	-96.1	0	0	0	109.6	T763 M863 L865 Q868 H869 G937 V942 F945	T763-Y940 WeakPolarHBondContact CA-OH 3.22Å; T763-Y940 PolarHBondContact O-OH 3.26Å; M863-Y940 WeakPolarHBondContact O-CE1 3.43Å; M863-Y940 VanDerWaalsContact O-CZ 3.31Å; M863-Y940 PolarHBondContact O-OH 2.98Å; L865-Y940 HydrophobicContact CD1-CD2 4.48Å; L865-Y940 HydrophobicContact CD1-CE2 3.88Å; L865-Y940 HydrophobicContact CG-CE2 4.24Å; Q868-Y940 HydrophobicContact CB-CD2 4.28Å; Q868-Y940 HydrophobicContact CB-CG 4.42Å; Q868-Y940 HydrophobicContact CG-CD2 4.01Å; H869-Y940 AromaticContact CE1-CD1 3.42Å; H869-Y940 VanDerWaalsContact CE1-CD1 3.42Å; H869-Y940 WeakPolarHBondContact CE1-CD1 3.46Å; H869-Y940 AromaticContact CE1-CE1 3.62Å; H869-Y940 AromaticContact CE1-CG 3.64Å; H869-Y940 AromaticContact NE2-CD1 3.17Å; H869-Y940 WeakPolarHBondContact NE2-CD1 3.4Å; H869-Y940 AromaticContact NE2-CE1 3.76Å; H869-Y940 AromaticContact NE2-CG 3.5Å; G937-Y940 PolarHBondContact N-O 3.38Å; G937-Y940 CarbonylContact O-C 3.33Å; G937-Y940 PolarHBondContact O-N 3.17Å; G937-Y940 VanDerWaalsContact O-N 3.17Å; G937-Y940 VanDerWaalsContact O-O 3.14Å; Y940-V942 HydrophobicContact CD1-CG2 4.11Å; Y940-V942 HydrophobicContact CE1-CG2 4.41Å; Y940-V942 PolarHBondContact O-N 3.22Å; Y940-F945 HydrophobicContact CD1-CD2 4.34Å; Y940-F945 AromaticContact CD1-CE2 3.7Å; Y940-F945 HydrophobicContact CD1-CE2 3.7Å; Y940-F945 AromaticContact CD2-CE2 3.84Å; Y940-F945 HydrophobicContact CD2-CE2 3.84Å; Y940-F945 HydrophobicContact CD2-CZ 4.21Å; Y940-F945 AromaticContact CE1-CD2 4Å; Y940-F945 HydrophobicContact CE1-CD2 4Å; Y940-F945 AromaticContact CE1-CE2 3.59Å; Y940-F945 HydrophobicContact CE1-CE2 3.59Å; Y940-F945 AromaticContact CE2-CE2 3.73Å; Y940-F945 HydrophobicContact CE2-CE2 3.73Å; Y940-F945 HydrophobicContact CE2-CZ 4.2Å; Y940-F945 AromaticContact CG-CE2 3.82Å; Y940-F945 HydrophobicContact CG-CE2 3.82Å; Y940-F945 HydrophobicContact CG-CZ 4.49Å; Y940-F945 AromaticContact CZ-CE2 3.61Å
941	P	94.4	Very high	92	Very high	48 Å²	48	53.9 Å²	53.9	31%	0.312	33%	0.327	S	S	.	.			trans	-75.2	93.2	-171.4	30	-35.3	0	0	0	110.7	G937 A943 H944 F945	G937-P941 WeakPolarHBondContact O-CA 3.44Å; P941-A943 PolarHBondContact O-N 3.06Å; P941-H944 HydrophobicContact CB-CB 4.07Å; P941-H944 HydrophobicContact CG-CB 4.02Å; P941-H944 WeakPolarHBondContact O-CB 3.21Å; P941-H944 PolarHBondContact O-N 3.36Å; P941-F945 HydrophobicContact CG-CZ 4.4Å; P941-F945 PolarHBondContact O-N 3.21Å
942	V	95.8	Very high	91.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.3	-40.5	-177.6	169.3	0	0	0	0	110.5	V862 L927 C930 I935 D936 Y940 H944 F945 L946	V862-V942 HydrophobicContact CG1-CG1 3.95Å; L927-V942 HydrophobicContact CD1-CB 4.36Å; L927-V942 HydrophobicContact CD1-CG1 4.03Å; C930-V942 HydrophobicContact CB-CG1 4.2Å; C930-V942 HydrophobicContact CB-CG2 4.33Å; I935-V942 HydrophobicContact CG2-CG2 4.41Å; D936-V942 HydrophobicContact CB-CB 4.06Å; D936-V942 HydrophobicContact CB-CG2 4.06Å; D936-V942 WeakPolarHBondContact OD1-CB 3.31Å; D936-V942 PolarHBondContact OD1-N 3.08Å; Y940-V942 HydrophobicContact CD1-CG2 4.11Å; Y940-V942 HydrophobicContact CE1-CG2 4.41Å; Y940-V942 PolarHBondContact O-N 3.22Å; V942-H944 PolarHBondContact O-N 3.33Å; V942-F945 PolarHBondContact O-N 2.88Å; V942-L946 HydrophobicContact CG1-CD1 3.6Å; V942-L946 HydrophobicContact CG1-CG 3.92Å; V942-L946 WeakPolarHBondContact O-CB 3.36Å; V942-L946 VanDerWaalsContact O-CG 3.26Å; V942-L946 WeakPolarHBondContact O-CG 3.22Å; V942-L946 PolarHBondContact O-N 3.35Å
943	A	93.8	Very high	91.6	Very high	48 Å²	48	50.6 Å²	50.6	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-56.9	-35.7	177	0	0	0	0	0	113.3	L927 P941 S947	L927-A943 HydrophobicContact CD1-CB 3.95Å; L927-A943 HydrophobicContact CD2-CB 4.28Å; P941-A943 PolarHBondContact O-N 3.06Å; A943-S947 WeakPolarHBondContact O-CB 3.45Å; A943-S947 PolarHBondContact O-N 2.9Å
944	H	94.3	Very high	91.3	Very high	92 Å²	92	52.4 Å²	52.4	43%	0.426	31%	0.312	S	S	.	.	H	α-helix	trans	-69	-51.3	177	170.6	56.7	0	0	0	110.8	P941 V942 L946 S947 H948	P941-H944 HydrophobicContact CB-CB 4.07Å; P941-H944 HydrophobicContact CG-CB 4.02Å; P941-H944 WeakPolarHBondContact O-CB 3.21Å; P941-H944 PolarHBondContact O-N 3.36Å; V942-H944 PolarHBondContact O-N 3.33Å; H944-L946 VanDerWaalsContact C-N 3.27Å; H944-L946 PolarHBondContact O-N 3.08Å; H944-S947 WeakPolarHBondContact O-CB 3.49Å; H944-S947 PolarHBondContact O-N 3.48Å; H944-S947 PolarHBondContact O-OG 3.4Å; H944-H948 AromaticContact CE1-NE2 3.71Å; H944-H948 PolarHBondContact O-CD2 3.29Å
945	F	94.6	Very high	91.1	Very high	12 Å²	12	52.9 Å²	52.9	5%	0.053	30%	0.303	C	S	.	.	H	α-helix	trans	-57.4	-43.7	-179.4	-54.1	-37.2	0	0	0	111.7	P754 T763 A764 Y940 P941 V942 S947	P754-F945 HydrophobicContact CG-CD1 3.98Å; T763-F945 HydrophobicContact CG2-CD1 4.03Å; T763-F945 HydrophobicContact CG2-CD2 4.32Å; T763-F945 HydrophobicContact CG2-CE1 3.8Å; T763-F945 HydrophobicContact CG2-CE2 4.11Å; T763-F945 HydrophobicContact CG2-CG 4.29Å; T763-F945 HydrophobicContact CG2-CZ 3.84Å; A764-F945 HydrophobicContact CB-CB 3.94Å; Y940-F945 HydrophobicContact CD1-CD2 4.34Å; Y940-F945 AromaticContact CD1-CE2 3.7Å; Y940-F945 HydrophobicContact CD1-CE2 3.7Å; Y940-F945 AromaticContact CD2-CE2 3.84Å; Y940-F945 HydrophobicContact CD2-CE2 3.84Å; Y940-F945 HydrophobicContact CD2-CZ 4.21Å; Y940-F945 AromaticContact CE1-CD2 4Å; Y940-F945 HydrophobicContact CE1-CD2 4Å; Y940-F945 AromaticContact CE1-CE2 3.59Å; Y940-F945 HydrophobicContact CE1-CE2 3.59Å; Y940-F945 AromaticContact CE2-CE2 3.73Å; Y940-F945 HydrophobicContact CE2-CE2 3.73Å; Y940-F945 HydrophobicContact CE2-CZ 4.2Å; Y940-F945 AromaticContact CG-CE2 3.82Å; Y940-F945 HydrophobicContact CG-CE2 3.82Å; Y940-F945 HydrophobicContact CG-CZ 4.49Å; Y940-F945 AromaticContact CZ-CE2 3.61Å; P941-F945 HydrophobicContact CG-CZ 4.4Å; P941-F945 PolarHBondContact O-N 3.21Å; V942-F945 PolarHBondContact O-N 2.88Å; F945-S947 VanDerWaalsContact C-N 3.3Å; F945-S947 PolarHBondContact O-N 2.63Å
946	L	94.8	Very high	90.7	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	32%	0.323	C	S	.	.	H	α-helix	trans	-71.4	-20.5	-179.9	-66.8	-169.6	0	0	0	114.3	A764 V860 V862 R923 L926 L927 V942 H944 H948 F949	A764-L946 HydrophobicContact CB-CD2 4.08Å; V860-L946 HydrophobicContact CG1-CD2 3.52Å; V862-L946 HydrophobicContact CG1-CD2 3.9Å; V862-L946 HydrophobicContact CG1-CG 4.35Å; R923-L946 WeakPolarHBondContact CD-O 3.24Å; R923-L946 HydrophobicContact CG-CB 3.75Å; R923-L946 HydrophobicContact CG-CD1 3.97Å; R923-L946 HydrophobicContact CG-CG 4.37Å; L926-L946 HydrophobicContact CB-CD1 4.45Å; L926-L946 HydrophobicContact CD2-CD1 3.94Å; L926-L946 HydrophobicContact CD2-CD2 3.98Å; L926-L946 HydrophobicContact CG-CD1 4.32Å; L927-L946 HydrophobicContact CB-CD1 4.24Å; V942-L946 HydrophobicContact CG1-CD1 3.6Å; V942-L946 HydrophobicContact CG1-CG 3.92Å; V942-L946 WeakPolarHBondContact O-CB 3.36Å; V942-L946 VanDerWaalsContact O-CG 3.26Å; V942-L946 WeakPolarHBondContact O-CG 3.22Å; V942-L946 PolarHBondContact O-N 3.35Å; H944-L946 VanDerWaalsContact C-N 3.27Å; H944-L946 PolarHBondContact O-N 3.08Å; L946-H948 PolarHBondContact O-N 3.17Å; L946-H948 VanDerWaalsContact O-N 3.15Å; L946-F949 HydrophobicContact CD2-CD2 4.09Å; L946-F949 HydrophobicContact CD2-CE2 3.93Å; L946-F949 PolarHBondContact O-N 2.71Å
947	S	91.1	Very high	90.4	Very high	49 Å²	49	57.2 Å²	57.2	34%	0.343	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.3	-178.2	73.6	0	0	0	0	114.1	A943 H944 F945 K950	A943-S947 WeakPolarHBondContact O-CB 3.45Å; A943-S947 PolarHBondContact O-N 2.9Å; H944-S947 WeakPolarHBondContact O-CB 3.49Å; H944-S947 PolarHBondContact O-N 3.48Å; H944-S947 PolarHBondContact O-OG 3.4Å; F945-S947 VanDerWaalsContact C-N 3.3Å; F945-S947 PolarHBondContact O-N 2.63Å; S947-K950 WeakPolarHBondContact O-CE 3.42Å
948	H	87.6	Confident	90.3	Very high	97 Å²	97	59.8 Å²	59.8	45%	0.449	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-18.3	177.5	-71.7	-105.9	0	0	0	113.2	H944 L946	H944-H948 AromaticContact CE1-NE2 3.71Å; H944-H948 PolarHBondContact O-CD2 3.29Å; L946-H948 PolarHBondContact O-N 3.17Å; L946-H948 VanDerWaalsContact O-N 3.15Å
949	F	89.8	Confident	90.5	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.026	29%	0.287	C	S	.	.			trans	-94.3	96.9	173.9	-45.1	-50	0	0	0	108.6	D751 A764 A765 C766 V860 R923 L946	D751-F949 HydrophobicContact CB-CD1 4.07Å; D751-F949 HydrophobicContact CB-CE1 3.87Å; A764-F949 HydrophobicContact CB-CE2 3.81Å; A764-F949 HydrophobicContact CB-CZ 4.01Å; A765-F949 VanDerWaalsContact C-CZ 3.48Å; A765-F949 VanDerWaalsContact CA-CZ 3.49Å; C766-F949 HydrophobicContact CB-CB 4.11Å; C766-F949 HydrophobicContact CB-CD1 3.47Å; C766-F949 VanDerWaalsContact CB-CD1 3.47Å; C766-F949 HydrophobicContact CB-CD2 3.92Å; C766-F949 HydrophobicContact CB-CE1 3.79Å; C766-F949 HydrophobicContact CB-CE2 4.19Å; C766-F949 HydrophobicContact CB-CG 3.56Å; C766-F949 HydrophobicContact CB-CZ 4.14Å; V860-F949 HydrophobicContact CG1-CD2 3.83Å; V860-F949 HydrophobicContact CG1-CE2 4.13Å; R923-F949 PolarHBondContact NH1-O 2.66Å; L946-F949 HydrophobicContact CD2-CD2 4.09Å; L946-F949 HydrophobicContact CD2-CE2 3.93Å; L946-F949 PolarHBondContact O-N 2.71Å
950	K	70.4	Confident	90.8	Very high	202 Å²	202	50.7 Å²	50.7	88%	0.878	26%	0.264	S	S	*	.			trans	-105	0	-175.5	-73	-174.2	-179	173.7	0	113	S947	S947-K950 WeakPolarHBondContact O-CE 3.42Å

Retrieved 950 of 950 residues in 5702.4 ms (Link to these results)

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