A0A077Z6W4_TRITR Loading...

Zinc finger protein 423

AlphaFold DB , UniProt , Accession A0A077Z6W4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,081 aa.

						>A0A077Z6W4_TRITR|A0A077Z6W4
MEQPGTSAATTPEPEADRDDQSVAEGKTSRNDLAESYHNGGLFACTYCPYSFATPGALKNHEQEHAALMPYRCTICGKGFKHKRSQNRHNKLHSGLRKYKCTICDSRFFRSDHLKLHMKTHEISKYAFVCVICQRGFNSNSALESHFQVYHNKGSQQANSPDHDRDTTFQDETLLPSSTSEPSVYRQSADDLSFLKCSICHLRMPSSESLLCHLDSQHNLISSCNPAEAPTLAADTLASSNSEVMFCVLCPSAFESAEELESHSESVHGIKHSAIFAQISQLSLPPCTSEDDQSESRNQRQSQQRTFTCGFCTDQFLSVFGLQKHTLHKHSLKDLQLPASNDPTYDCDVCGRSFESILALHCHISTAHNSAAVDGRQNGFDQAAETNPSTSLLSANMTKSASVFQCGQCDVVSTSLKSFTSHMQQHLTEQSQSMENCKSKRCDLCGLVLDTELEYDTHLMSHYLQKESHFVCDKCSRSYTTSEDLQKHLFDLHAVHLYRCALCGSIHDSRSDLQEHFAITHRSEQLRHRCRSCNAVFNADEQFLAHVHVAHLNKVGKSSPNTTVVPFYCTVCCIAFNSEVEYRAHRHTLFKCPLCSEAFDVEYLYEKHINNAHGEQALLIAAVAAAAAVSSGGAWSLPRRLLSSDMKRHCSDDSSPSTVNGNSSTGSSTLPAVTSKCNICDKKCSSMHELAQHKLQHCKVIHSEMCNVCRAPITSVEQFFAHIRLHNSSGVPVACVICKQSLLSTIEMHTHSKFHLRLDCSTSCRCQNCASQSTSDGVNNVTATKTSCNCQVVVKTEVEEIGEDVNGAASDDPLGSDGETENLSPARKNQCFKRRRTRSVENQLEATVDTNVQQDDANQVCMLCKKVFDSSSKLQCHLIEHSFVGCSGFQCYLCDTVFCKPQPLQQHMVSSHTYEERVYACLHCNQKFFFRAELDSHTIVKHSDVELPQASAKDMIESTGDEGSNVEKTDMKFSCCLCGKCFSDLTSLQQHSANCSLSVKPTSDSPSDTNCVTLPDKVAEEPSKVKRTFVASSDKSNDSDRSRSSRIAGNGNLKVTQQGTHPCPHCPKVFNSPSALQGKLY
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	37.4	Very low	232 Å²	232	136.6 Å²	136.6	100%	1.143	84%	0.84	S	S	*	*				0	130.7	0	-76.5	157.3	159.6	0	0	106.8
2	E	32.7	Very low	37.6	Very low	195 Å²	195	135.5 Å²	135.5	91%	0.911	84%	0.837	S	S	*	*			trans	53.5	158.3	162.9	-62.2	179.4	110	0	0	120
3	Q	35.7	Very low	37.4	Very low	185 Å²	185	136.5 Å²	136.5	86%	0.864	83%	0.826	S	S	*	*			trans	-108.8	-163.2	178.3	-44.2	-179.6	-55.2	0	0	108.2
4	P	44.6	Very low	37.6	Very low	126 Å²	126	135.7 Å²	135.7	82%	0.818	83%	0.825	S	S	*	*			cis	-133.9	176.5	-15.3	35.7	-17.3	0	0	0	114.6
5	G	36.3	Very low	37.6	Very low	73 Å²	73	137.9 Å²	137.9	75%	0.753	82%	0.822	S	S	*	*			trans	133.3	120	156.3	0	0	0	0	0	114.8
6	T	41.4	Very low	37.7	Very low	152 Å²	152	133.7 Å²	133.7	93%	0.933	81%	0.808	S	S	*	*			trans	-141.5	144.5	175.8	48.1	0	0	0	0	111.6
7	S	34.7	Very low	37.7	Very low	116 Å²	116	132.8 Å²	132.8	81%	0.811	80%	0.798	S	S	*	*			trans	-153.9	170.1	-175.8	55.5	0	0	0	0	110.6
8	A	38	Very low	37.9	Very low	100 Å²	100	135.6 Å²	135.6	83%	0.826	79%	0.791	S	S	*	*			trans	63.3	173.7	-174	0	0	0	0	0	113.3
9	A	39.2	Very low	38	Very low	92 Å²	92	135.3 Å²	135.3	76%	0.76	79%	0.787	S	S	*	*			cis	-155.4	163.8	15.2	0	0	0	0	0	109.3
10	T	38.1	Very low	38.1	Very low	128 Å²	128	134.7 Å²	134.7	79%	0.785	78%	0.78	S	S	*	*			cis	-164.9	166.6	-15.4	-90.4	0	0	0	0	108.5
11	T	37.9	Very low	38.2	Very low	104 Å²	104	135.5 Å²	135.5	64%	0.638	78%	0.777	S	S	*	*			trans	-65.4	-179.5	177.2	-20.2	0	0	0	0	114.6
12	P	39.6	Very low	38.3	Very low	123 Å²	123	129.8 Å²	129.8	80%	0.799	76%	0.76	S	S	*	*				-145.1	160.4	87.5	37	-19.2	0	0	0	117.5
13	E	35.1	Very low	38.4	Very low	148 Å²	148	127 Å²	127	69%	0.692	76%	0.756	S	S	*	*			trans	-82.2	-175.1	167.2	-53	110.7	131.3	0	0	112.6
14	P	41	Very low	38.4	Very low	126 Å²	126	122 Å²	122	82%	0.818	75%	0.746	S	S	*	*				-139.4	-172	68.7	16.4	10.1	0	0	0	114
15	E	36.8	Very low	37.7	Very low	168 Å²	168	125.7 Å²	125.7	79%	0.785	75%	0.753	S	S	*	*			cis	-178.6	149	-43.8	-100.5	-97.4	83.5	0	0	109.3
16	A	38.9	Very low	37.5	Very low	71 Å²	71	125.6 Å²	125.6	59%	0.587	75%	0.752	S	S	*	*			trans	66	140.7	150.6	0	0	0	0	0	125.2
17	D	38.2	Very low	36.9	Very low	119 Å²	119	128.7 Å²	128.7	64%	0.636	75%	0.752	S	S	*	*			trans	71.7	138.8	140.6	-71.9	-8.4	0	0	0	122.6
18	R	40.5	Very low	36.8	Very low	182 Å²	182	128.5 Å²	128.5	69%	0.687	75%	0.746	S	S	*	*			cis	-166.4	168.8	-17.6	-142.5	-179.5	-92.3	172.9	2.1	112.6
19	D	40.9	Very low	36.4	Very low	131 Å²	131	129.3 Å²	129.3	70%	0.701	75%	0.746	S	S	*	*			trans	67.4	151.7	159.3	-51.5	-38.4	0	0	0	117.8
20	D	39.1	Very low	36.2	Very low	122 Å²	122	135.6 Å²	135.6	65%	0.652	75%	0.75	S	S	*	*			cis	-152.5	158.9	10.5	-148	-17.8	0	0	0	115.5
21	Q	39.8	Very low	35.7	Very low	152 Å²	152	135.4 Å²	135.4	71%	0.71	74%	0.744	S	S	*	*			trans	53	114.1	151.6	-88.7	152.6	65.8	0	0	125.9
22	S	36	Very low	35.3	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	75%	0.75	S	S	*	*				84.2	161	128.7	79.1	0	0	0	0	121.9
23	V	35.3	Very low	35	Very low	136 Å²	136	140.1 Å²	140.1	82%	0.824	76%	0.758	S	S	*	*				-168.7	153.6	-66.5	136.1	0	0	0	0	109.9
24	A	35.1	Very low	34.9	Very low	81 Å²	81	137.8 Å²	137.8	67%	0.669	76%	0.763	S	S	*	*			trans	65.1	103.9	171.9	0	0	0	0	0	116.3
25	E	29.2	Very low	34.3	Very low	203 Å²	203	141.1 Å²	141.1	95%	0.949	77%	0.768	S	S	*	*				75.9	110	84.6	-76.1	-165.9	168.4	0	0	115.3
26	G	32.1	Very low	34.3	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	76%	0.763	S	S	*	*			trans	-175.6	96.3	173.7	0	0	0	0	0	112.3	T28	G26-T28 PolarHBondContact O-N 3.5Å
27	K	30.4	Very low	34.3	Very low	217 Å²	217	143.6 Å²	143.6	94%	0.943	77%	0.771	S	S	*	*			trans	-76.9	107.8	176.5	-69.9	174	-177.9	168.2	0	110.4
28	T	32.1	Very low	34.5	Very low	111 Å²	111	143.1 Å²	143.1	68%	0.681	77%	0.765	S	S	*	*			trans	-131.5	131.1	164.8	51.4	0	0	0	0	110.8	G26	G26-T28 PolarHBondContact O-N 3.5Å
29	S	29.1	Very low	34.6	Very low	117 Å²	117	142.7 Å²	142.7	82%	0.818	78%	0.776	S	S	*	*			trans	-62.1	136.3	163.8	-173.2	0	0	0	0	109.5
30	R	34.2	Very low	34.8	Very low	224 Å²	224	140 Å²	140	85%	0.845	78%	0.779	S	S	*	*			trans	-141.8	119	166.5	-110.3	-178.9	171.4	124.8	-1.4	109
31	N	29.1	Very low	35.3	Very low	125 Å²	125	135.4 Å²	135.4	67%	0.668	76%	0.761	S	S	*	*			trans	-69.4	-171.4	153	-65.1	-15.1	0	0	0	108.6
32	D	28.6	Very low	36.6	Very low	144 Å²	144	135.3 Å²	135.3	77%	0.77	76%	0.764	S	S	*	*			trans	68.5	61.2	155.2	-38.4	-41.2	0	0	0	116
33	L	32.5	Very low	38.7	Very low	182 Å²	182	133.5 Å²	133.5	95%	0.953	74%	0.742	S	S	*	*			trans	-170	85.8	136.3	-125.5	74	0	0	0	111.9
34	A	34.2	Very low	40.8	Very low	98 Å²	98	130.1 Å²	130.1	81%	0.81	73%	0.729	S	S	*	*			trans	-147.8	7.4	172.2	0	0	0	0	0	114.9	S36	A34-S36 PolarHBondContact O-N 3.36Å
35	E	28.1	Very low	43	Very low	197 Å²	197	127 Å²	127	92%	0.921	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	105.7	171.5	-63.1	177.4	120.5	0	0	109.6
36	S	37.7	Very low	45.3	Very low	96 Å²	96	122 Å²	122	67%	0.671	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	177.2	-19.9	158.6	28.5	0	0	0	0	116.5	A34	A34-S36 PolarHBondContact O-N 3.36Å
37	Y	38.8	Very low	47.2	Very low	195 Å²	195	123.1 Å²	123.1	77%	0.765	67%	0.668	S	S	*	*			trans	-121.9	45.8	-162.8	-72.8	-78.5	0	0	0	117.3
38	H	41.5	Very low	49.4	Very low	109 Å²	109	114.5 Å²	114.5	51%	0.505	64%	0.635	S	S	.	*	S	Bend	trans	-138	51.7	167.3	-86	-73.7	0	0	0	114	P49 Y50	H38-P49 PolarHBondContact CE1-O 3.31Å; H38-Y50 AromaticContact CE1-CD1 3.59Å; H38-Y50 AromaticContact CE1-CE1 4Å; H38-Y50 AromaticContact NE2-CD1 3.45Å; H38-Y50 WeakPolarHBondContact NE2-CD1 3.3Å; H38-Y50 AromaticContact NE2-CE1 3.43Å; H38-Y50 WeakPolarHBondContact NE2-CE1 3.38Å
39	N	42.7	Very low	51.2	Low	172 Å²	172	114.2 Å²	114.2	92%	0.92	64%	0.635	S	S	*	*	S	Bend	trans	-166.9	112.1	154.1	-100.1	-39.9	0	0	0	109.9
40	G	45	Very low	53.5	Low	74 Å²	74	114.7 Å²	114.7	76%	0.763	62%	0.62	S	S	*	*			trans	131.8	-5.2	170.2	0	0	0	0	0	118.1	L42	G40-L42 PolarHBondContact O-N 2.93Å
41	G	49.2	Very low	55.7	Low	26 Å²	26	105.8 Å²	105.8	27%	0.268	59%	0.592	S	S	.	*			trans	-75	122.2	175.3	0	0	0	0	0	112.2	F43 F52	G41-F43 VanDerWaalsContact C-N 3.26Å; G41-F43 PolarHBondContact O-N 2.86Å; G41-F52 CarbonylContact C-O 3.57Å
42	L	67.2	Low	58.3	Low	150 Å²	150	102 Å²	102	79%	0.785	57%	0.569	S	S	*	*	S	Bend	trans	-69.5	-18	-178.5	-70.7	173.6	0	0	0	114.3	G40 F52	G40-L42 PolarHBondContact O-N 2.93Å; L42-F52 PolarHBondContact N-O 3.13Å
43	F	79.7	Confident	60.8	Low	75 Å²	75	99.1 Å²	99.1	33%	0.329	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120	89.2	-171.4	-58.2	-76	0	0	0	111	G41 F52 P55 L58	G41-F43 VanDerWaalsContact C-N 3.26Å; G41-F43 PolarHBondContact O-N 2.86Å; F43-F52 PolarHBondContact N-O 3.37Å; F43-F52 PolarHBondContact O-N 2.81Å; F43-P55 HydrophobicContact CD1-CG 4.11Å; F43-P55 HydrophobicContact CD2-CG 4.21Å; F43-P55 HydrophobicContact CE1-CG 3.79Å; F43-P55 HydrophobicContact CE2-CG 3.9Å; F43-P55 HydrophobicContact CG-CG 4.31Å; F43-P55 HydrophobicContact CZ-CG 3.69Å; F43-L58 HydrophobicContact CB-CB 4.17Å; F43-L58 HydrophobicContact CB-CD2 3.88Å
44	A	80.6	Confident	63.2	Low	66 Å²	66	94 Å²	94	55%	0.545	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	144.5	179.1	0	0	0	0	0	113
45	C	81.6	Confident	65.7	Low	14 Å²	14	93 Å²	93	10%	0.095	53%	0.528	C	S	.	.			trans	-72.2	138.9	175.2	-179.1	0	0	0	0	112.6	Y47 C48 Y50 F52 L58 H61	C45-Y47 VanDerWaalsContact C-N 3.26Å; C45-Y47 PolarHBondContact O-N 3.06Å; C45-Y47 PolarHBondContact SG-N 3.48Å; C45-C48 WeakPolarHBondContact CB-O 3.36Å; C45-Y50 WeakPolarHBondContact CB-O 3.44Å; C45-Y50 PolarHBondContact N-O 2.89Å; C45-F52 HydrophobicContact CB-CE2 4.33Å; C45-L58 HydrophobicContact CB-CD1 4.03Å; C45-H61 PolarHBondContact SG-CD2 2.93Å; C45-H61 PolarHBondContact SG-NE2 3.08Å
46	T	77	Confident	68.5	Low	99 Å²	99	85.6 Å²	85.6	61%	0.607	50%	0.504	S	S	*	.	S	Bend	trans	-77.4	-10.1	177.7	61.6	0	0	0	0	114	E62	T46-E62 PolarHBondContact OG1-OE1 3.37Å
47	Y	72.5	Confident	70.8	Confident	95 Å²	95	82.9 Å²	82.9	37%	0.373	49%	0.487	S	S	.	.	S	Bend	trans	-117.8	-14.3	-174.1	-58.5	-60.2	0	0	0	114.8	C45 E62 H65 M69 R72	C45-Y47 VanDerWaalsContact C-N 3.26Å; C45-Y47 PolarHBondContact O-N 3.06Å; C45-Y47 PolarHBondContact SG-N 3.48Å; Y47-E62 HydrophobicContact CD2-CG 4.4Å; Y47-H65 VanDerWaalsContact CB-CG 3.43Å; Y47-H65 WeakPolarHBondContact CB-ND1 3.19Å; Y47-H65 HydrophobicContact CD2-CB 3.46Å; Y47-H65 VanDerWaalsContact CD2-CB 3.46Å; Y47-H65 AromaticContact CD2-CD2 3.99Å; Y47-H65 AromaticContact CD2-CG 3.7Å; Y47-H65 HydrophobicContact CE2-CB 4.12Å; Y47-H65 HydrophobicContact CG-CB 3.89Å; Y47-H65 AromaticContact CG-CG 3.85Å; Y47-M69 HydrophobicContact CD1-CE 4Å; Y47-M69 HydrophobicContact CE1-CE 4.48Å; Y47-M69 HydrophobicContact CG-CE 4.31Å; Y47-R72 PolarHBondContact OH-NH1 3.22Å; Y47-R72 VanDerWaalsContact OH-NH1 3.07Å
48	C	75.7	Confident	73.1	Confident	36 Å²	36	74.8 Å²	74.8	24%	0.243	46%	0.457	C	S	.	.	S	Bend	trans	-160	174	177.5	88	0	0	0	0	111.7	C45 Y50 H61	C45-C48 WeakPolarHBondContact CB-O 3.36Å; C48-Y50 VanDerWaalsContact C-N 3.32Å; C48-Y50 PolarHBondContact O-N 3.44Å; C48-Y50 WeakPolarHBondContact SG-CD2 3.41Å; C48-H61 PolarHBondContact SG-NE2 3.31Å
49	P	69.8	Low	75.2	Confident	105 Å²	105	76.2 Å²	76.2	68%	0.682	46%	0.462	S	S	*	.	S	Bend	trans	-80.2	3.9	-166.8	33.7	-36.9	0	0	0	116.1	H38	H38-P49 PolarHBondContact CE1-O 3.31Å
50	Y	77.2	Confident	77.3	Confident	126 Å²	126	73 Å²	73	49%	0.494	45%	0.445	S	S	.	.			trans	-73.7	133.9	-179.4	-65.5	-57.3	0	0	0	112.6	H38 C45 C48	H38-Y50 AromaticContact CE1-CD1 3.59Å; H38-Y50 AromaticContact CE1-CE1 4Å; H38-Y50 AromaticContact NE2-CD1 3.45Å; H38-Y50 WeakPolarHBondContact NE2-CD1 3.3Å; H38-Y50 AromaticContact NE2-CE1 3.43Å; H38-Y50 WeakPolarHBondContact NE2-CE1 3.38Å; C45-Y50 WeakPolarHBondContact CB-O 3.44Å; C45-Y50 PolarHBondContact N-O 2.89Å; C48-Y50 VanDerWaalsContact C-N 3.32Å; C48-Y50 PolarHBondContact O-N 3.44Å; C48-Y50 WeakPolarHBondContact SG-CD2 3.41Å
51	S	80.4	Confident	79.2	Confident	38 Å²	38	70.4 Å²	70.4	27%	0.266	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.1	178.2	65.1	0	0	0	0	111.3
52	F	84.6	Confident	80.8	Confident	44 Å²	44	71.8 Å²	71.8	19%	0.193	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149	-172.5	-59.7	-87.2	0	0	0	111.7	G41 L42 F43 C45 T54 A57 L58 H61	G41-F52 CarbonylContact C-O 3.57Å; L42-F52 PolarHBondContact N-O 3.13Å; F43-F52 PolarHBondContact N-O 3.37Å; F43-F52 PolarHBondContact O-N 2.81Å; C45-F52 HydrophobicContact CB-CE2 4.33Å; F52-T54 VanDerWaalsContact C-N 3.31Å; F52-A57 HydrophobicContact CB-CB 3.99Å; F52-A57 HydrophobicContact CD1-CB 3.79Å; F52-A57 HydrophobicContact CG-CB 4.16Å; F52-L58 HydrophobicContact CB-CB 4.26Å; F52-L58 HydrophobicContact CD2-CB 4.06Å; F52-L58 HydrophobicContact CD2-CD1 4.15Å; F52-L58 HydrophobicContact CE2-CD1 4.49Å; F52-L58 HydrophobicContact CG-CB 4.37Å; F52-H61 HydrophobicContact CE1-CB 4.15Å; F52-H61 HydrophobicContact CE2-CB 3.88Å; F52-H61 AromaticContact CE2-CD2 3.42Å; F52-H61 VanDerWaalsContact CE2-CD2 3.42Å; F52-H61 WeakPolarHBondContact CE2-CD2 3.47Å; F52-H61 AromaticContact CE2-CG 3.73Å; F52-H61 HydrophobicContact CZ-CB 3.52Å; F52-H61 AromaticContact CZ-CD2 3.54Å; F52-H61 AromaticContact CZ-CG 3.39Å
53	A	80.8	Confident	81.4	Confident	85 Å²	85	70.3 Å²	70.3	70%	0.702	40%	0.401	S	S	*	.	S	Bend	trans	-74.9	-19.5	177.8	0	0	0	0	0	113.3
54	T	84	Confident	81.3	Confident	74 Å²	74	72.3 Å²	72.3	45%	0.454	41%	0.412	S	S	.	.	S	Bend	trans	-135.6	151.7	-178.6	68.8	0	0	0	0	112.1	F52 G56 A57 L58	F52-T54 VanDerWaalsContact C-N 3.31Å; T54-G56 PolarHBondContact O-N 2.89Å; T54-A57 PolarHBondContact O-N 3.32Å; T54-A57 PolarHBondContact OG1-N 3.3Å; T54-L58 PolarHBondContact O-N 3.26Å
55	P	85	Confident	80.9	Confident	78 Å²	78	70.3 Å²	70.3	51%	0.506	39%	0.391	S	S	.	.	H	α-helix	trans	-62.3	-28.9	174.5	-21.9	32.9	0	0	0	113.3	F43 K59	F43-P55 HydrophobicContact CD1-CG 4.11Å; F43-P55 HydrophobicContact CD2-CG 4.21Å; F43-P55 HydrophobicContact CE1-CG 3.79Å; F43-P55 HydrophobicContact CE2-CG 3.9Å; F43-P55 HydrophobicContact CG-CG 4.31Å; F43-P55 HydrophobicContact CZ-CG 3.69Å; P55-K59 WeakPolarHBondContact O-CB 3.41Å; P55-K59 PolarHBondContact O-N 2.98Å
56	G	87.4	Confident	80.2	Confident	41 Å²	41	71.7 Å²	71.7	42%	0.423	40%	0.404	S	S	.	.	H	α-helix	trans	-66.9	-42.9	178.1	0	0	0	0	0	112.7	T54 K59 N60	T54-G56 PolarHBondContact O-N 2.89Å; G56-K59 PolarHBondContact O-N 2.95Å; G56-N60 PolarHBondContact O-N 2.92Å; G56-N60 PolarHBondContact O-OD1 2.86Å
57	A	85.9	Confident	79.8	Confident	38 Å²	38	71 Å²	71	31%	0.314	41%	0.407	S	S	.	.	H	α-helix	trans	-66.6	-40.7	176.1	0	0	0	0	0	111.7	F52 T54 N60 H61	F52-A57 HydrophobicContact CB-CB 3.99Å; F52-A57 HydrophobicContact CD1-CB 3.79Å; F52-A57 HydrophobicContact CG-CB 4.16Å; T54-A57 PolarHBondContact O-N 3.32Å; T54-A57 PolarHBondContact OG1-N 3.3Å; A57-N60 PolarHBondContact O-N 3.16Å; A57-H61 PolarHBondContact O-N 3.38Å; A57-H61 VanDerWaalsContact O-N 3.13Å
58	L	87.7	Confident	79.8	Confident	26 Å²	26	71.4 Å²	71.4	14%	0.136	42%	0.415	C	S	.	.	H	α-helix	trans	-57.4	-48.5	170.3	170.1	60.5	0	0	0	111.5	F43 C45 F52 T54 N60 H61 E62	F43-L58 HydrophobicContact CB-CB 4.17Å; F43-L58 HydrophobicContact CB-CD2 3.88Å; C45-L58 HydrophobicContact CB-CD1 4.03Å; F52-L58 HydrophobicContact CB-CB 4.26Å; F52-L58 HydrophobicContact CD2-CB 4.06Å; F52-L58 HydrophobicContact CD2-CD1 4.15Å; F52-L58 HydrophobicContact CE2-CD1 4.49Å; F52-L58 HydrophobicContact CG-CB 4.37Å; T54-L58 PolarHBondContact O-N 3.26Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 3.47Å; L58-H61 PolarHBondContact O-N 3.13Å; L58-H61 VanDerWaalsContact O-N 3.17Å; L58-E62 HydrophobicContact CD1-CG 3.86Å; L58-E62 HydrophobicContact CG-CG 4.48Å; L58-E62 PolarHBondContact O-N 3.34Å
59	K	86.1	Confident	80	Confident	138 Å²	138	72.1 Å²	72.1	60%	0.6	42%	0.416	S	S	*	.	H	α-helix	trans	-60.6	-41	-178.2	-175.8	178.8	179.2	-177.8	0	112.7	P55 G56 E62 Q63	P55-K59 WeakPolarHBondContact O-CB 3.41Å; P55-K59 PolarHBondContact O-N 2.98Å; G56-K59 PolarHBondContact O-N 2.95Å; K59-E62 PolarHBondContact O-N 3.45Å; K59-Q63 PolarHBondContact O-N 2.89Å
60	N	85.6	Confident	80.5	Confident	106 Å²	106	71.2 Å²	71.2	57%	0.567	41%	0.41	S	S	*	.	H	α-helix	trans	-64.7	-43.4	176.1	-70.9	4.4	0	0	0	110.9	G56 A57 L58 E62 Q63	G56-N60 PolarHBondContact O-N 2.92Å; G56-N60 PolarHBondContact O-OD1 2.86Å; A57-N60 PolarHBondContact O-N 3.16Å; L58-N60 VanDerWaalsContact C-N 3.35Å; L58-N60 PolarHBondContact O-N 3.47Å; N60-E62 PolarHBondContact O-N 2.91Å; N60-Q63 WeakPolarHBondContact O-CB 3.33Å; N60-Q63 PolarHBondContact O-N 3.25Å
61	H	85.6	Confident	80.7	Confident	18 Å²	18	69.4 Å²	69.4	8%	0.083	40%	0.403	C	S	.	.	H	α-helix	trans	-66.4	-35.7	177.6	175.8	63	0	0	0	113.3	C45 C48 F52 A57 L58 Q63 E64 H65	C45-H61 PolarHBondContact SG-CD2 2.93Å; C45-H61 PolarHBondContact SG-NE2 3.08Å; C48-H61 PolarHBondContact SG-NE2 3.31Å; F52-H61 HydrophobicContact CE1-CB 4.15Å; F52-H61 HydrophobicContact CE2-CB 3.88Å; F52-H61 AromaticContact CE2-CD2 3.42Å; F52-H61 VanDerWaalsContact CE2-CD2 3.42Å; F52-H61 WeakPolarHBondContact CE2-CD2 3.47Å; F52-H61 AromaticContact CE2-CG 3.73Å; F52-H61 HydrophobicContact CZ-CB 3.52Å; F52-H61 AromaticContact CZ-CD2 3.54Å; F52-H61 AromaticContact CZ-CG 3.39Å; A57-H61 PolarHBondContact O-N 3.38Å; A57-H61 VanDerWaalsContact O-N 3.13Å; L58-H61 PolarHBondContact O-N 3.13Å; L58-H61 VanDerWaalsContact O-N 3.17Å; H61-Q63 PolarHBondContact O-N 3.5Å; H61-E64 IonicContact CE1-OE2 2.71Å; H61-E64 IonicContact CG-OE2 3.61Å; H61-E64 IonicContact ND1-OE2 2.67Å; H61-E64 PolarHBondContact ND1-OE2 3.23Å; H61-E64 WeakPolarHBondContact O-CB 3.35Å; H61-E64 PolarHBondContact O-N 2.88Å; H61-E64 VanDerWaalsContact O-N 3.11Å; H61-H65 AromaticContact CD2-NE2 3.87Å; H61-H65 AromaticContact CE1-CD2 3.91Å; H61-H65 AromaticContact CE1-NE2 3.23Å; H61-H65 PolarHBondContact CE1-NE2 3.26Å; H61-H65 AromaticContact NE2-CD2 3.62Å; H61-H65 AromaticContact NE2-NE2 2.97Å; H61-H65 PolarHBondContact NE2-NE2 3.38Å; H61-H65 PolarHBondContact O-CD2 2.93Å
62	E	81.5	Confident	80.6	Confident	56 Å²	56	73 Å²	73	26%	0.262	41%	0.411	S	S	.	.	H	α-helix	trans	-66.2	-20	173.9	-71.8	-165	143.1	0	0	113.5	T46 Y47 L58 K59 N60 A66	T46-E62 PolarHBondContact OG1-OE1 3.37Å; Y47-E62 HydrophobicContact CD2-CG 4.4Å; L58-E62 HydrophobicContact CD1-CG 3.86Å; L58-E62 HydrophobicContact CG-CG 4.48Å; L58-E62 PolarHBondContact O-N 3.34Å; K59-E62 PolarHBondContact O-N 3.45Å; N60-E62 PolarHBondContact O-N 2.91Å; E62-A66 PolarHBondContact O-N 3.39Å
63	Q	80.6	Confident	80.6	Confident	118 Å²	118	71 Å²	71	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-70.7	-32.8	171.1	-66.3	176.6	-9.5	0	0	112.3	K59 N60 H61 H65 A66 A67	K59-Q63 PolarHBondContact O-N 2.89Å; N60-Q63 WeakPolarHBondContact O-CB 3.33Å; N60-Q63 PolarHBondContact O-N 3.25Å; H61-Q63 PolarHBondContact O-N 3.5Å; Q63-H65 VanDerWaalsContact C-N 3.31Å; Q63-H65 PolarHBondContact O-N 3.31Å; Q63-A66 WeakPolarHBondContact O-CB 3.14Å; Q63-A66 PolarHBondContact O-N 3.25Å; Q63-A66 VanDerWaalsContact O-N 3.15Å; Q63-A67 PolarHBondContact O-N 3.13Å
64	E	77.6	Confident	80.5	Confident	117 Å²	117	73 Å²	73	55%	0.547	41%	0.406	S	S	.	.	H	α-helix	trans	-61.6	-42.2	174.9	-54.1	-179.6	131.9	0	0	110.7	H61 A66 A67 L68	H61-E64 IonicContact CE1-OE2 2.71Å; H61-E64 IonicContact CG-OE2 3.61Å; H61-E64 IonicContact ND1-OE2 2.67Å; H61-E64 PolarHBondContact ND1-OE2 3.23Å; H61-E64 WeakPolarHBondContact O-CB 3.35Å; H61-E64 PolarHBondContact O-N 2.88Å; H61-E64 VanDerWaalsContact O-N 3.11Å; E64-A66 VanDerWaalsContact C-N 3.34Å; E64-A66 PolarHBondContact O-N 3.27Å; E64-A67 PolarHBondContact O-N 3.3Å; E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 3.4Å; E64-L68 VanDerWaalsContact O-N 3.15Å
65	H	73.1	Confident	80.3	Confident	25 Å²	25	74.7 Å²	74.7	12%	0.116	41%	0.411	C	S	.	.	H	α-helix	trans	-65.9	-34.7	174.1	-68.5	-71.9	0	0	0	113.1	Y47 H61 Q63 L68 M69	Y47-H65 VanDerWaalsContact CB-CG 3.43Å; Y47-H65 WeakPolarHBondContact CB-ND1 3.19Å; Y47-H65 HydrophobicContact CD2-CB 3.46Å; Y47-H65 VanDerWaalsContact CD2-CB 3.46Å; Y47-H65 AromaticContact CD2-CD2 3.99Å; Y47-H65 AromaticContact CD2-CG 3.7Å; Y47-H65 HydrophobicContact CE2-CB 4.12Å; Y47-H65 HydrophobicContact CG-CB 3.89Å; Y47-H65 AromaticContact CG-CG 3.85Å; H61-H65 AromaticContact CD2-NE2 3.87Å; H61-H65 AromaticContact CE1-CD2 3.91Å; H61-H65 AromaticContact CE1-NE2 3.23Å; H61-H65 PolarHBondContact CE1-NE2 3.26Å; H61-H65 AromaticContact NE2-CD2 3.62Å; H61-H65 AromaticContact NE2-NE2 2.97Å; H61-H65 PolarHBondContact NE2-NE2 3.38Å; H61-H65 PolarHBondContact O-CD2 2.93Å; Q63-H65 VanDerWaalsContact C-N 3.31Å; Q63-H65 PolarHBondContact O-N 3.31Å; H65-L68 PolarHBondContact O-N 2.92Å; H65-M69 HydrophobicContact CB-CE 4.29Å; H65-M69 PolarHBondContact O-N 3.49Å; H65-M69 VanDerWaalsContact O-N 3.13Å
66	A	66.5	Low	79.9	Confident	43 Å²	43	73 Å²	73	36%	0.355	40%	0.401	S	S	.	.	H	α-helix	trans	-65.1	-39.3	174.9	0	0	0	0	0	112	E62 Q63 E64 L68	E62-A66 PolarHBondContact O-N 3.39Å; Q63-A66 WeakPolarHBondContact O-CB 3.14Å; Q63-A66 PolarHBondContact O-N 3.25Å; Q63-A66 VanDerWaalsContact O-N 3.15Å; E64-A66 VanDerWaalsContact C-N 3.34Å; E64-A66 PolarHBondContact O-N 3.27Å; A66-L68 VanDerWaalsContact C-N 3.33Å
67	A	69.2	Low	79.4	Confident	83 Å²	83	72.9 Å²	72.9	69%	0.686	40%	0.4	S	S	*	.	H	α-helix	trans	-65.4	-34.6	174	0	0	0	0	0	112.7	Q63 E64	Q63-A67 PolarHBondContact O-N 3.13Å; E64-A67 PolarHBondContact O-N 3.3Å
68	L	72.3	Confident	79.1	Confident	104 Å²	104	73.9 Å²	73.9	55%	0.545	40%	0.397	S	S	.	.	H	α-helix	trans	-79.5	-19.6	-179.3	-69.1	169.1	0	0	0	114.6	E64 H65 A66	E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 3.4Å; E64-L68 VanDerWaalsContact O-N 3.15Å; H65-L68 PolarHBondContact O-N 2.92Å; A66-L68 VanDerWaalsContact C-N 3.33Å
69	M	79.3	Confident	78.8	Confident	52 Å²	52	73.3 Å²	73.3	26%	0.256	40%	0.397	S	S	.	.			trans	-129.7	65.3	-174.5	-68.3	-170	-82.2	0	0	114.1	Y47 H65 Y71 F80	Y47-M69 HydrophobicContact CD1-CE 4Å; Y47-M69 HydrophobicContact CE1-CE 4.48Å; Y47-M69 HydrophobicContact CG-CE 4.31Å; H65-M69 HydrophobicContact CB-CE 4.29Å; H65-M69 PolarHBondContact O-N 3.49Å; H65-M69 VanDerWaalsContact O-N 3.13Å; M69-Y71 VanDerWaalsContact C-N 3.28Å; M69-Y71 PolarHBondContact O-N 2.86Å; M69-Y71 VanDerWaalsContact O-N 3.12Å; M69-F80 CarbonylContact C-O 3.57Å
70	P	79.6	Confident	78.6	Confident	86 Å²	86	67.9 Å²	67.9	56%	0.558	37%	0.374	S	S	*	.			trans	-67.5	-12.5	-170.6	24.9	-35	0	0	0	116.4
71	Y	82	Confident	78.4	Confident	88 Å²	88	69.6 Å²	69.6	35%	0.345	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	98.6	-177.8	-55.9	-82.9	0	0	0	111.7	M69 G79 F80 K83	M69-Y71 VanDerWaalsContact C-N 3.28Å; M69-Y71 PolarHBondContact O-N 2.86Å; M69-Y71 VanDerWaalsContact O-N 3.12Å; Y71-G79 CarbonylContact O-C 3.56Å; Y71-F80 WeakPolarHBondContact CB-O 3.49Å; Y71-F80 PolarHBondContact N-O 3.26Å; Y71-F80 VanDerWaalsContact N-O 3.1Å; Y71-F80 WeakPolarHBondContact O-CB 3.44Å; Y71-F80 WeakPolarHBondContact O-CD2 3.47Å; Y71-F80 PolarHBondContact O-N 2.78Å; Y71-K83 HydrophobicContact CD1-CB 3.73Å; Y71-K83 HydrophobicContact CD1-CD 4.45Å; Y71-K83 HydrophobicContact CD1-CG 4Å; Y71-K83 VanDerWaalsContact CD2-N 3.34Å; Y71-K83 HydrophobicContact CE1-CB 3.59Å; Y71-K83 HydrophobicContact CE1-CD 4.08Å; Y71-K83 HydrophobicContact CE1-CG 4.01Å; Y71-K83 HydrophobicContact CE2-CB 4.45Å; Y71-K83 HydrophobicContact CG-CB 4.23Å
72	R	79.1	Confident	78.3	Confident	112 Å²	112	74 Å²	74	42%	0.423	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	145.7	176.9	-62.7	-174.7	-174.2	-114.9	1.9	112.7	Y47 K78 Q86	Y47-R72 PolarHBondContact OH-NH1 3.22Å; Y47-R72 VanDerWaalsContact OH-NH1 3.07Å; R72-K78 CarbonylContact C-O 3.58Å; R72-K78 WeakPolarHBondContact CA-O 3.38Å; R72-Q86 PolarHBondContact O-NE2 3.31Å
73	C	83	Confident	78.5	Confident	4 Å²	4	77.3 Å²	77.3	3%	0.027	41%	0.41	C	S	.	.			trans	-73	131.5	169.4	-179.1	0	0	0	0	110.6	I75 G77 K78 F80 H89 N90	C73-I75 VanDerWaalsContact C-N 3.27Å; C73-I75 PolarHBondContact O-N 3.26Å; C73-I75 PolarHBondContact SG-N 2.79Å; C73-I75 VanDerWaalsContact SG-N 3.4Å; C73-G77 VanDerWaalsContact O-CA 3.25Å; C73-G77 WeakPolarHBondContact O-CA 3.43Å; C73-G77 PolarHBondContact O-N 2.77Å; C73-K78 PolarHBondContact N-O 2.78Å; C73-F80 HydrophobicContact CB-CE2 4.31Å; C73-H89 VanDerWaalsContact SG-CD2 3.56Å; C73-N90 PolarHBondContact SG-OD1 2.94Å
74	T	79.3	Confident	78.7	Confident	126 Å²	126	81.7 Å²	81.7	77%	0.773	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.7	178	48	0	0	0	0	114.2
75	I	80	Confident	79.1	Confident	110 Å²	110	78 Å²	78	56%	0.564	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-23.7	-174.2	-59	171.5	0	0	0	112.1	C73 H93	C73-I75 VanDerWaalsContact C-N 3.27Å; C73-I75 PolarHBondContact O-N 3.26Å; C73-I75 PolarHBondContact SG-N 2.79Å; C73-I75 VanDerWaalsContact SG-N 3.4Å; I75-H93 HydrophobicContact CD1-CB 3.6Å; I75-H93 HydrophobicContact CG2-CB 4.17Å
76	C	76.7	Confident	79.8	Confident	42 Å²	42	78.3 Å²	78.3	28%	0.284	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.8	7.5	-178	73	0	0	0	0	115.2	K78 H89	C76-K78 PolarHBondContact O-N 3.08Å; C76-H89 PolarHBondContact SG-NE2 2.94Å
77	G	77.6	Confident	80.7	Confident	39 Å²	39	80.3 Å²	80.3	40%	0.402	42%	0.415	S	S	.	.			trans	71.1	-14.7	177.7	0	0	0	0	0	117	C73 G79	C73-G77 VanDerWaalsContact O-CA 3.25Å; C73-G77 WeakPolarHBondContact O-CA 3.43Å; C73-G77 PolarHBondContact O-N 2.77Å; G77-G79 PolarHBondContact O-N 3.36Å
78	K	78.3	Confident	81.3	Confident	59 Å²	59	81.6 Å²	81.6	26%	0.257	40%	0.402	S	S	.	.			trans	-54.7	126.4	-174.9	-170.7	174.7	-178.1	-179.1	0	111.6	R72 C73 C76 F80 I506	R72-K78 CarbonylContact C-O 3.58Å; R72-K78 WeakPolarHBondContact CA-O 3.38Å; C73-K78 PolarHBondContact N-O 2.78Å; C76-K78 PolarHBondContact O-N 3.08Å; K78-F80 HydrophobicContact CB-CE2 4.21Å; K78-F80 HydrophobicContact CB-CZ 4.34Å; K78-F80 HydrophobicContact CD-CE1 4.42Å; K78-F80 HydrophobicContact CD-CZ 3.96Å; K78-F80 HydrophobicContact CG-CE2 4.25Å; K78-F80 HydrophobicContact CG-CZ 4.03Å; K78-F80 WeakPolarHBondContact O-CD2 3.37Å; K78-F80 VanDerWaalsContact O-CE2 3.24Å; K78-F80 WeakPolarHBondContact O-CE2 3.48Å; K78-I506 PolarHBondContact NZ-O 3.02Å
79	G	80.7	Confident	81.9	Confident	13 Å²	13	77 Å²	77	13%	0.134	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	151.7	178.6	0	0	0	0	0	113.5	Y71 G77	Y71-G79 CarbonylContact O-C 3.56Å; G77-G79 PolarHBondContact O-N 3.36Å
80	F	83	Confident	82	Confident	25 Å²	25	76.6 Å²	76.6	11%	0.11	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	141	177.5	-60.5	-85	0	0	0	110.6	M69 Y71 C73 K78 H82 Q86 H89	M69-F80 CarbonylContact C-O 3.57Å; Y71-F80 WeakPolarHBondContact CB-O 3.49Å; Y71-F80 PolarHBondContact N-O 3.26Å; Y71-F80 VanDerWaalsContact N-O 3.1Å; Y71-F80 WeakPolarHBondContact O-CB 3.44Å; Y71-F80 WeakPolarHBondContact O-CD2 3.47Å; Y71-F80 PolarHBondContact O-N 2.78Å; C73-F80 HydrophobicContact CB-CE2 4.31Å; K78-F80 HydrophobicContact CB-CE2 4.21Å; K78-F80 HydrophobicContact CB-CZ 4.34Å; K78-F80 HydrophobicContact CD-CE1 4.42Å; K78-F80 HydrophobicContact CD-CZ 3.96Å; K78-F80 HydrophobicContact CG-CE2 4.25Å; K78-F80 HydrophobicContact CG-CZ 4.03Å; K78-F80 WeakPolarHBondContact O-CD2 3.37Å; K78-F80 VanDerWaalsContact O-CE2 3.24Å; K78-F80 WeakPolarHBondContact O-CE2 3.48Å; F80-H82 PolarHBondContact O-N 3.41Å; F80-Q86 HydrophobicContact CB-CB 4.49Å; F80-Q86 HydrophobicContact CD2-CB 3.94Å; F80-Q86 HydrophobicContact CD2-CG 4.44Å; F80-Q86 HydrophobicContact CG-CB 4.39Å; F80-H89 HydrophobicContact CE1-CB 4.17Å; F80-H89 HydrophobicContact CE2-CB 4Å; F80-H89 AromaticContact CE2-CG 3.98Å; F80-H89 HydrophobicContact CZ-CB 3.48Å; F80-H89 VanDerWaalsContact CZ-CB 3.48Å; F80-H89 AromaticContact CZ-CD2 3.92Å; F80-H89 AromaticContact CZ-CG 3.46Å; F80-H89 VanDerWaalsContact CZ-CG 3.46Å; F80-H89 AromaticContact CZ-ND1 3.88Å
81	K	81.3	Confident	82.1	Confident	141 Å²	141	78.2 Å²	78.2	61%	0.613	38%	0.375	S	S	*	.	S	Bend	trans	-68	-19.9	173.7	-169.5	167	-177.4	169.4	0	113.8
82	H	83.6	Confident	81.9	Confident	111 Å²	111	75.5 Å²	75.5	51%	0.514	37%	0.366	S	S	.	.	S	Bend	trans	-139	134.6	-174.9	-52.9	116.6	0	0	0	113.2	F80 R84 S85 Q86	F80-H82 PolarHBondContact O-N 3.41Å; H82-R84 PolarHBondContact O-N 3.35Å; H82-R84 VanDerWaalsContact O-N 3.12Å; H82-S85 WeakPolarHBondContact O-CB 3.37Å; H82-S85 PolarHBondContact O-N 3.23Å; H82-Q86 PolarHBondContact O-N 3.07Å
83	K	85.6	Confident	81.8	Confident	125 Å²	125	72.6 Å²	72.6	54%	0.543	36%	0.357	S	S	.	.	H	α-helix	trans	-53.2	-32.3	175.3	-160.9	169.9	-175	170.5	0	113.9	Y71 S85 N87	Y71-K83 HydrophobicContact CD1-CB 3.73Å; Y71-K83 HydrophobicContact CD1-CD 4.45Å; Y71-K83 HydrophobicContact CD1-CG 4Å; Y71-K83 VanDerWaalsContact CD2-N 3.34Å; Y71-K83 HydrophobicContact CE1-CB 3.59Å; Y71-K83 HydrophobicContact CE1-CD 4.08Å; Y71-K83 HydrophobicContact CE1-CG 4.01Å; Y71-K83 HydrophobicContact CE2-CB 4.45Å; Y71-K83 HydrophobicContact CG-CB 4.23Å; K83-S85 VanDerWaalsContact C-N 3.3Å; K83-S85 PolarHBondContact O-N 3.22Å; K83-N87 WeakPolarHBondContact O-CB 3.27Å; K83-N87 PolarHBondContact O-N 2.91Å
84	R	85.7	Confident	81.1	Confident	210 Å²	210	75.5 Å²	75.5	79%	0.792	38%	0.377	S	S	*	.	H	α-helix	trans	-64.2	-31.7	175.6	179.6	177.2	-92.9	-178.4	-4.9	112.6	H82 R88	H82-R84 PolarHBondContact O-N 3.35Å; H82-R84 VanDerWaalsContact O-N 3.12Å; R84-R88 PolarHBondContact O-N 3.35Å; R84-R88 VanDerWaalsContact O-N 3.15Å
85	S	85.3	Confident	80.3	Confident	41 Å²	41	71.9 Å²	71.9	29%	0.287	37%	0.365	S	S	.	.	H	α-helix	trans	-77.5	-45.7	177.2	-57	0	0	0	0	111.3	H82 K83 N87 R88 H89	H82-S85 WeakPolarHBondContact O-CB 3.37Å; H82-S85 PolarHBondContact O-N 3.23Å; K83-S85 VanDerWaalsContact C-N 3.3Å; K83-S85 PolarHBondContact O-N 3.22Å; S85-N87 VanDerWaalsContact C-N 3.34Å; S85-N87 PolarHBondContact O-N 2.87Å; S85-R88 WeakPolarHBondContact O-CB 3.21Å; S85-R88 PolarHBondContact O-N 2.85Å; S85-H89 PolarHBondContact O-N 2.94Å
86	Q	88.4	Confident	79.7	Confident	31 Å²	31	71.2 Å²	71.2	15%	0.145	36%	0.362	C	S	.	.	H	α-helix	trans	-51.9	-50.7	169.8	-176.5	-157.6	29	0	0	111.1	R72 F80 H82 R88 H89 N90	R72-Q86 PolarHBondContact O-NE2 3.31Å; F80-Q86 HydrophobicContact CB-CB 4.49Å; F80-Q86 HydrophobicContact CD2-CB 3.94Å; F80-Q86 HydrophobicContact CD2-CG 4.44Å; F80-Q86 HydrophobicContact CG-CB 4.39Å; H82-Q86 PolarHBondContact O-N 3.07Å; Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 3.27Å; Q86-H89 PolarHBondContact O-N 2.91Å; Q86-N90 VanDerWaalsContact O-CG 3.28Å; Q86-N90 PolarHBondContact O-N 3.32Å; Q86-N90 PolarHBondContact O-OD1 3.07Å
87	N	84.2	Confident	79.6	Confident	85 Å²	85	75.8 Å²	75.8	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-67.2	-19.2	177.2	-78.5	-5.8	0	0	0	114.8	K83 S85	K83-N87 WeakPolarHBondContact O-CB 3.27Å; K83-N87 PolarHBondContact O-N 2.91Å; S85-N87 VanDerWaalsContact C-N 3.34Å; S85-N87 PolarHBondContact O-N 2.87Å
88	R	83.2	Confident	79.6	Confident	109 Å²	109	81.4 Å²	81.4	41%	0.411	39%	0.387	S	S	.	.	H	α-helix	trans	-78.4	-48.1	170.1	179.8	-172.3	-72	167.5	-3.2	109.7	R84 S85 Q86 K91	R84-R88 PolarHBondContact O-N 3.35Å; R84-R88 VanDerWaalsContact O-N 3.15Å; S85-R88 WeakPolarHBondContact O-CB 3.21Å; S85-R88 PolarHBondContact O-N 2.85Å; Q86-R88 VanDerWaalsContact C-N 3.27Å; Q86-R88 PolarHBondContact O-N 3.27Å; R88-K91 WeakPolarHBondContact O-CB 3.48Å; R88-K91 PolarHBondContact O-N 3.22Å
89	H	84	Confident	79.6	Confident	7 Å²	7	83 Å²	83	3%	0.032	39%	0.392	C	S	.	.	H	α-helix	trans	-61.4	-43.2	-179.6	177.6	81.1	0	0	0	112.3	C73 C76 F80 S85 Q86 K91 L92 H93	C73-H89 VanDerWaalsContact SG-CD2 3.56Å; C76-H89 PolarHBondContact SG-NE2 2.94Å; F80-H89 HydrophobicContact CE1-CB 4.17Å; F80-H89 HydrophobicContact CE2-CB 4Å; F80-H89 AromaticContact CE2-CG 3.98Å; F80-H89 HydrophobicContact CZ-CB 3.48Å; F80-H89 VanDerWaalsContact CZ-CB 3.48Å; F80-H89 AromaticContact CZ-CD2 3.92Å; F80-H89 AromaticContact CZ-CG 3.46Å; F80-H89 VanDerWaalsContact CZ-CG 3.46Å; F80-H89 AromaticContact CZ-ND1 3.88Å; S85-H89 PolarHBondContact O-N 2.94Å; Q86-H89 PolarHBondContact O-N 2.91Å; H89-K91 PolarHBondContact O-N 3.33Å; H89-L92 VanDerWaalsContact O-CB 3.28Å; H89-L92 WeakPolarHBondContact O-CB 3.3Å; H89-L92 WeakPolarHBondContact O-CG 3.01Å; H89-L92 PolarHBondContact O-N 2.9Å; H89-H93 AromaticContact CD2-NE2 3.63Å; H89-H93 AromaticContact CE1-NE2 3.87Å; H89-H93 AromaticContact NE2-CD2 3.85Å; H89-H93 AromaticContact NE2-CE1 3.81Å; H89-H93 AromaticContact NE2-NE2 2.99Å; H89-H93 PolarHBondContact NE2-NE2 3.32Å
90	N	82	Confident	79.7	Confident	45 Å²	45	87.3 Å²	87.3	24%	0.241	41%	0.407	C	S	.	.	H	α-helix	trans	-57.5	-21.6	177.8	-70.2	4.8	0	0	0	113.9	C73 Q86 L92	C73-N90 PolarHBondContact SG-OD1 2.94Å; Q86-N90 VanDerWaalsContact O-CG 3.28Å; Q86-N90 PolarHBondContact O-N 3.32Å; Q86-N90 PolarHBondContact O-OD1 3.07Å; N90-L92 VanDerWaalsContact C-N 3.3Å; N90-L92 PolarHBondContact O-N 2.89Å
91	K	81.1	Confident	79.7	Confident	120 Å²	120	86.1 Å²	86.1	52%	0.522	40%	0.402	S	S	.	.	H	α-helix	trans	-72.5	-22.3	175.9	-64.1	178.8	-179.5	-175.9	0	113.2	R88 H89 S94	R88-K91 WeakPolarHBondContact O-CB 3.48Å; R88-K91 PolarHBondContact O-N 3.22Å; H89-K91 PolarHBondContact O-N 3.33Å; K91-S94 PolarHBondContact O-OG 3.36Å
92	L	78.3	Confident	79.7	Confident	30 Å²	30	85.5 Å²	85.5	16%	0.157	41%	0.41	C	S	.	.	H	α-helix	trans	-70.2	-47.9	179.2	-56	165.2	0	0	0	110.1	H89 N90 S94 G95 F109 D508	H89-L92 VanDerWaalsContact O-CB 3.28Å; H89-L92 WeakPolarHBondContact O-CB 3.3Å; H89-L92 WeakPolarHBondContact O-CG 3.01Å; H89-L92 PolarHBondContact O-N 2.9Å; N90-L92 VanDerWaalsContact C-N 3.3Å; N90-L92 PolarHBondContact O-N 2.89Å; L92-S94 PolarHBondContact O-N 3.15Å; L92-G95 PolarHBondContact O-N 2.9Å; L92-F109 HydrophobicContact CD2-CB 4.43Å; L92-F109 HydrophobicContact CD2-CD1 4.38Å; L92-F109 HydrophobicContact CD2-CD2 3.75Å; L92-F109 HydrophobicContact CD2-CE2 3.96Å; L92-F109 HydrophobicContact CD2-CG 3.96Å; L92-F109 HydrophobicContact CD2-CZ 4.36Å; L92-D508 HydrophobicContact CD1-CB 3.27Å
93	H	77.1	Confident	79.3	Confident	52 Å²	52	85.2 Å²	85.2	24%	0.241	41%	0.411	C	S	.	.	H	α-helix	trans	-56.7	-33.9	175.1	-63.3	-51.7	0	0	0	113	I75 H89 G95	I75-H93 HydrophobicContact CD1-CB 3.6Å; I75-H93 HydrophobicContact CG2-CB 4.17Å; H89-H93 AromaticContact CD2-NE2 3.63Å; H89-H93 AromaticContact CE1-NE2 3.87Å; H89-H93 AromaticContact NE2-CD2 3.85Å; H89-H93 AromaticContact NE2-CE1 3.81Å; H89-H93 AromaticContact NE2-NE2 2.99Å; H89-H93 PolarHBondContact NE2-NE2 3.32Å; H93-G95 PolarHBondContact O-N 3.39Å
94	S	68.6	Low	78.8	Confident	64 Å²	64	81.4 Å²	81.4	45%	0.448	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.7	177	77.1	0	0	0	0	114.9	K91 L92 L96	K91-S94 PolarHBondContact O-OG 3.36Å; L92-S94 PolarHBondContact O-N 3.15Å; S94-L96 PolarHBondContact O-N 3.3Å; S94-L96 PolarHBondContact OG-N 2.98Å
95	G	62.8	Low	78.4	Confident	50 Å²	50	77.4 Å²	77.4	52%	0.515	39%	0.394	S	S	.	.			trans	67	-10.4	-176	0	0	0	0	0	115.7	L92 H93 R97	L92-G95 PolarHBondContact O-N 2.9Å; H93-G95 PolarHBondContact O-N 3.39Å; G95-R97 PolarHBondContact O-N 2.79Å
96	L	65.5	Low	77.8	Confident	96 Å²	96	77.6 Å²	77.6	50%	0.503	40%	0.396	S	S	.	.			trans	-71.6	81.3	-171.7	-65.3	177.5	0	0	0	113.3	S94 K98	S94-L96 PolarHBondContact O-N 3.3Å; S94-L96 PolarHBondContact OG-N 2.98Å; L96-K98 HydrophobicContact CB-CG 4.07Å; L96-K98 WeakPolarHBondContact O-CG 3.36Å; L96-K98 PolarHBondContact O-N 3.24Å
97	R	75	Confident	77.6	Confident	138 Å²	138	83.3 Å²	83.3	52%	0.521	42%	0.416	S	S	.	.			trans	-71.1	74.3	165.9	-63.7	176.5	176.2	-177.5	2	110.6	G95 Y99 R107 F108 F109	G95-R97 PolarHBondContact O-N 2.79Å; R97-Y99 VanDerWaalsContact C-N 3.28Å; R97-Y99 PolarHBondContact O-N 2.96Å; R97-R107 HydrophobicContact CB-CB 3.68Å; R97-R107 WeakPolarHBondContact CD-O 3.39Å; R97-F108 CarbonylContact C-O 3.53Å; R97-F108 VanDerWaalsContact C-O 3.26Å; R97-F108 WeakPolarHBondContact CA-O 3.45Å; R97-F109 HydrophobicContact CG-CD1 4.01Å; R97-F109 HydrophobicContact CG-CD2 4.07Å; R97-F109 HydrophobicContact CG-CE1 3.68Å; R97-F109 HydrophobicContact CG-CE2 3.75Å; R97-F109 HydrophobicContact CG-CG 4.2Å; R97-F109 HydrophobicContact CG-CZ 3.55Å
98	K	77.2	Confident	77.5	Confident	158 Å²	158	81.4 Å²	81.4	69%	0.687	40%	0.404	S	S	*	.			trans	-65.5	-21.8	-171.2	-63	-161	177.7	-164.8	0	114.9	L96 F108	L96-K98 HydrophobicContact CB-CG 4.07Å; L96-K98 WeakPolarHBondContact O-CG 3.36Å; L96-K98 PolarHBondContact O-N 3.24Å; K98-F108 PolarHBondContact N-O 3.23Å
99	Y	80.2	Confident	77.3	Confident	91 Å²	91	78.8 Å²	78.8	36%	0.357	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	96.7	-173	-57.6	-81.1	0	0	0	110.4	R97 R107 F108	R97-Y99 VanDerWaalsContact C-N 3.28Å; R97-Y99 PolarHBondContact O-N 2.96Å; Y99-R107 CarbonylContact O-C 3.31Å; Y99-R107 WeakPolarHBondContact O-CA 3.41Å; Y99-F108 PolarHBondContact N-O 2.83Å; Y99-F108 PolarHBondContact O-N 2.82Å
100	K	82.7	Confident	77.1	Confident	104 Å²	104	81 Å²	81	45%	0.452	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	144.2	171.5	-158.5	-156.2	173	178.5	0	109.9	D105 R107 L114	K100-D105 WeakPolarHBondContact CE-OD1 3.43Å; K100-D105 IonicContact NZ-OD1 3.88Å; K100-D105 PolarHBondContact NZ-OD1 3.32Å; K100-R107 HydrophobicContact CB-CG 4.38Å; K100-R107 HydrophobicContact CG-CG 3.97Å; K100-L114 WeakPolarHBondContact O-CD2 3.32Å
101	C	81.6	Confident	77.3	Confident	1 Å²	1	81.6 Å²	81.6	1%	0.007	41%	0.411	C	S	.	.			trans	-69.6	150.2	159.9	-177.2	0	0	0	0	110.7	I103 C104 S106 L114 H117 H121	C101-I103 PolarHBondContact SG-N 2.86Å; C101-C104 WeakPolarHBondContact CB-O 3.44Å; C101-S106 PolarHBondContact N-O 3.4Å; C101-L114 HydrophobicContact CB-CD1 4.01Å; C101-H117 PolarHBondContact SG-NE2 2.89Å; C101-H117 VanDerWaalsContact SG-NE2 3.43Å; C101-H121 PolarHBondContact SG-NE2 3.16Å
102	T	81.5	Confident	77.4	Confident	127 Å²	127	79.5 Å²	79.5	78%	0.779	41%	0.405	S	S	*	.	S	Bend	trans	-91.3	-11	176.1	48.8	0	0	0	0	113.4
103	I	74.7	Confident	77.6	Confident	106 Å²	106	82.3 Å²	82.3	54%	0.544	42%	0.418	S	S	.	.	S	Bend	trans	-110.5	-25.8	-174.4	-56.7	172.7	0	0	0	111.6	C101 M118 H121	C101-I103 PolarHBondContact SG-N 2.86Å; I103-M118 HydrophobicContact CD1-CE 3.58Å; I103-M118 HydrophobicContact CG1-CE 4.08Å; I103-H121 HydrophobicContact CD1-CB 3.57Å; I103-H121 HydrophobicContact CG2-CB 4.33Å; I103-H121 VanDerWaalsContact CG2-ND1 3.33Å; I103-H121 WeakPolarHBondContact CG2-ND1 3.24Å
104	C	75	Confident	78	Confident	44 Å²	44	81.4 Å²	81.4	30%	0.297	41%	0.414	S	S	.	.	S	Bend	trans	-145.2	174.1	168.4	74.6	0	0	0	0	111.9	C101 S106 H117	C101-C104 WeakPolarHBondContact CB-O 3.44Å; C104-S106 PolarHBondContact O-N 2.88Å; C104-S106 VanDerWaalsContact O-N 3.11Å; C104-S106 PolarHBondContact SG-OG 3.45Å; C104-S106 VanDerWaalsContact SG-OG 3.32Å; C104-H117 PolarHBondContact SG-NE2 3.37Å; C104-H117 VanDerWaalsContact SG-NE2 3.43Å
105	D	78.3	Confident	78.7	Confident	127 Å²	127	85.9 Å²	85.9	68%	0.679	43%	0.426	S	S	*	.	S	Bend	trans	-77.4	12.6	-176.3	-74.6	-66.1	0	0	0	116	K100	K100-D105 WeakPolarHBondContact CE-OD1 3.43Å; K100-D105 IonicContact NZ-OD1 3.88Å; K100-D105 PolarHBondContact NZ-OD1 3.32Å
106	S	72.1	Confident	79.4	Confident	45 Å²	45	88.9 Å²	88.9	32%	0.315	43%	0.43	S	S	.	.			trans	-62.3	136.2	173.8	-66	0	0	0	0	112.2	C101 C104	C101-S106 PolarHBondContact N-O 3.4Å; C104-S106 PolarHBondContact O-N 2.88Å; C104-S106 VanDerWaalsContact O-N 3.11Å; C104-S106 PolarHBondContact SG-OG 3.45Å; C104-S106 VanDerWaalsContact SG-OG 3.32Å
107	R	84.1	Confident	79.8	Confident	151 Å²	151	85.6 Å²	85.6	57%	0.57	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.7	-178.4	-59.1	177.2	76.4	153	4.3	111.3	R97 Y99 K100	R97-R107 HydrophobicContact CB-CB 3.68Å; R97-R107 WeakPolarHBondContact CD-O 3.39Å; Y99-R107 CarbonylContact O-C 3.31Å; Y99-R107 WeakPolarHBondContact O-CA 3.41Å; K100-R107 HydrophobicContact CB-CG 4.38Å; K100-R107 HydrophobicContact CG-CG 3.97Å
108	F	81.8	Confident	79.8	Confident	45 Å²	45	81.1 Å²	81.1	20%	0.197	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	153.7	-171.3	-54.9	-88.7	0	0	0	112.4	R97 K98 Y99 H113 L114 H117	R97-F108 CarbonylContact C-O 3.53Å; R97-F108 VanDerWaalsContact C-O 3.26Å; R97-F108 WeakPolarHBondContact CA-O 3.45Å; K98-F108 PolarHBondContact N-O 3.23Å; Y99-F108 PolarHBondContact N-O 2.83Å; Y99-F108 PolarHBondContact O-N 2.82Å; F108-H113 HydrophobicContact CB-CB 4.29Å; F108-H113 HydrophobicContact CD1-CB 4Å; F108-H113 HydrophobicContact CG-CB 4.4Å; F108-L114 HydrophobicContact CD2-CB 4.05Å; F108-L114 HydrophobicContact CD2-CD1 3.99Å; F108-L114 HydrophobicContact CE2-CD1 4.11Å; F108-L114 HydrophobicContact CG-CB 4.43Å; F108-H117 HydrophobicContact CE1-CB 4.05Å; F108-H117 HydrophobicContact CE2-CB 3.94Å; F108-H117 AromaticContact CE2-CD2 3.31Å; F108-H117 WeakPolarHBondContact CE2-CD2 3.49Å; F108-H117 AromaticContact CE2-CG 3.72Å; F108-H117 HydrophobicContact CZ-CB 3.48Å; F108-H117 VanDerWaalsContact CZ-CB 3.48Å; F108-H117 AromaticContact CZ-CD2 3.39Å; F108-H117 WeakPolarHBondContact CZ-CD2 3.03Å; F108-H117 AromaticContact CZ-CG 3.32Å; F108-H117 AromaticContact CZ-ND1 3.94Å
109	F	79	Confident	79.6	Confident	54 Å²	54	79 Å²	79	24%	0.237	39%	0.388	C	S	.	.	S	Bend	trans	-84.7	-15.1	176.6	-68.3	-77.7	0	0	0	114.1	L92 R97	L92-F109 HydrophobicContact CD2-CB 4.43Å; L92-F109 HydrophobicContact CD2-CD1 4.38Å; L92-F109 HydrophobicContact CD2-CD2 3.75Å; L92-F109 HydrophobicContact CD2-CE2 3.96Å; L92-F109 HydrophobicContact CD2-CG 3.96Å; L92-F109 HydrophobicContact CD2-CZ 4.36Å; R97-F109 HydrophobicContact CG-CD1 4.01Å; R97-F109 HydrophobicContact CG-CD2 4.07Å; R97-F109 HydrophobicContact CG-CE1 3.68Å; R97-F109 HydrophobicContact CG-CE2 3.75Å; R97-F109 HydrophobicContact CG-CG 4.2Å; R97-F109 HydrophobicContact CG-CZ 3.55Å
110	R	81.6	Confident	78.5	Confident	52 Å²	52	78.9 Å²	78.9	20%	0.196	40%	0.397	C	S	.	.	S	Bend	trans	-137.1	150.1	179.6	-59.9	155.5	52.1	173.3	-0.2	111	D112 H113 L114	R110-D112 WeakPolarHBondContact CB-OD1 3.39Å; R110-D112 IonicContact CZ-OD1 3.7Å; R110-D112 IonicContact CZ-OD2 3.86Å; R110-D112 IonicContact NE-OD1 2.71Å; R110-D112 PolarHBondContact NE-OD1 2.95Å; R110-D112 IonicContact NE-OD2 3.86Å; R110-D112 IonicContact NH2-OD1 3.31Å; R110-D112 IonicContact NH2-OD2 2.36Å; R110-D112 PolarHBondContact NH2-OD2 3.26Å; R110-H113 PolarHBondContact NH1-NE2 2.98Å; R110-L114 PolarHBondContact O-N 3.48Å
111	S	86.2	Confident	77.4	Confident	59 Å²	59	77 Å²	77	41%	0.413	39%	0.389	S	S	.	.	H	α-helix	trans	-70.7	-27.1	179.8	48.2	0	0	0	0	114	L114 K115	S111-L114 PolarHBondContact O-N 3.34Å; S111-K115 WeakPolarHBondContact O-CG 3.42Å; S111-K115 PolarHBondContact O-N 2.85Å
112	D	82.8	Confident	76.2	Confident	75 Å²	75	83.7 Å²	83.7	40%	0.401	42%	0.421	S	S	.	.	H	α-helix	trans	-74.6	-35.4	177.6	57.5	-32	0	0	0	112.3	R110 K115 L116	R110-D112 WeakPolarHBondContact CB-OD1 3.39Å; R110-D112 IonicContact CZ-OD1 3.7Å; R110-D112 IonicContact CZ-OD2 3.86Å; R110-D112 IonicContact NE-OD1 2.71Å; R110-D112 PolarHBondContact NE-OD1 2.95Å; R110-D112 IonicContact NE-OD2 3.86Å; R110-D112 IonicContact NH2-OD1 3.31Å; R110-D112 IonicContact NH2-OD2 2.36Å; R110-D112 PolarHBondContact NH2-OD2 3.26Å; D112-K115 PolarHBondContact O-N 3.08Å; D112-L116 PolarHBondContact O-N 3.19Å
113	H	82	Confident	74.4	Confident	90 Å²	90	81.1 Å²	81.1	42%	0.417	40%	0.401	S	S	.	.	H	α-helix	trans	-64.3	-39.6	168.2	-67.3	-38.5	0	0	0	112.1	F108 R110 L116 H117	F108-H113 HydrophobicContact CB-CB 4.29Å; F108-H113 HydrophobicContact CD1-CB 4Å; F108-H113 HydrophobicContact CG-CB 4.4Å; R110-H113 PolarHBondContact NH1-NE2 2.98Å; H113-L116 PolarHBondContact O-N 3.05Å; H113-H117 WeakPolarHBondContact O-CB 3.36Å; H113-H117 PolarHBondContact O-N 2.68Å
114	L	86.4	Confident	73	Confident	32 Å²	32	81.7 Å²	81.7	17%	0.168	42%	0.415	C	S	.	.	H	α-helix	trans	-61.3	-45.8	170.4	173.5	60.4	0	0	0	111	K100 C101 F108 R110 S111 L116 H117 M118	K100-L114 WeakPolarHBondContact O-CD2 3.32Å; C101-L114 HydrophobicContact CB-CD1 4.01Å; F108-L114 HydrophobicContact CD2-CB 4.05Å; F108-L114 HydrophobicContact CD2-CD1 3.99Å; F108-L114 HydrophobicContact CE2-CD1 4.11Å; F108-L114 HydrophobicContact CG-CB 4.43Å; R110-L114 PolarHBondContact O-N 3.48Å; S111-L114 PolarHBondContact O-N 3.34Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 3.13Å; L114-H117 CarbonylContact O-C 3.43Å; L114-H117 PolarHBondContact O-N 3.08Å; L114-H117 VanDerWaalsContact O-N 3.12Å; L114-M118 HydrophobicContact CD1-CG 4.12Å; L114-M118 HydrophobicContact CD1-SD 3.88Å; L114-M118 HydrophobicContact CG-CG 4.35Å; L114-M118 WeakPolarHBondContact O-CG 3.4Å; L114-M118 PolarHBondContact O-N 3.07Å
115	K	82.4	Confident	71.8	Confident	158 Å²	158	85.2 Å²	85.2	69%	0.687	43%	0.425	S	S	*	.	H	α-helix	trans	-58.7	-41.3	176.2	-76.6	-176.9	175.7	-169.4	0	112.6	S111 D112 H117 M118 K119	S111-K115 WeakPolarHBondContact O-CG 3.42Å; S111-K115 PolarHBondContact O-N 2.85Å; D112-K115 PolarHBondContact O-N 3.08Å; K115-H117 VanDerWaalsContact C-N 3.31Å; K115-M118 PolarHBondContact O-N 3.02Å; K115-K119 PolarHBondContact O-N 2.69Å
116	L	77	Confident	70.7	Confident	114 Å²	114	85.4 Å²	85.4	60%	0.597	42%	0.417	S	S	*	.	H	α-helix	trans	-64.5	-37.6	175.7	-172.4	65.2	0	0	0	111.7	D112 H113 L114 K119	D112-L116 PolarHBondContact O-N 3.19Å; H113-L116 PolarHBondContact O-N 3.05Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-L116 PolarHBondContact O-N 3.13Å; L116-K119 WeakPolarHBondContact O-CB 3.17Å; L116-K119 PolarHBondContact O-N 2.77Å
117	H	75	Confident	69.9	Low	27 Å²	27	86.8 Å²	86.8	13%	0.125	43%	0.432	C	S	.	.	H	α-helix	trans	-72.2	-33.3	174.1	173.6	63.3	0	0	0	113.7	C101 C104 F108 H113 L114 K115 K119 T120 H121	C101-H117 PolarHBondContact SG-NE2 2.89Å; C101-H117 VanDerWaalsContact SG-NE2 3.43Å; C104-H117 PolarHBondContact SG-NE2 3.37Å; C104-H117 VanDerWaalsContact SG-NE2 3.43Å; F108-H117 HydrophobicContact CE1-CB 4.05Å; F108-H117 HydrophobicContact CE2-CB 3.94Å; F108-H117 AromaticContact CE2-CD2 3.31Å; F108-H117 WeakPolarHBondContact CE2-CD2 3.49Å; F108-H117 AromaticContact CE2-CG 3.72Å; F108-H117 HydrophobicContact CZ-CB 3.48Å; F108-H117 VanDerWaalsContact CZ-CB 3.48Å; F108-H117 AromaticContact CZ-CD2 3.39Å; F108-H117 WeakPolarHBondContact CZ-CD2 3.03Å; F108-H117 AromaticContact CZ-CG 3.32Å; F108-H117 AromaticContact CZ-ND1 3.94Å; H113-H117 WeakPolarHBondContact O-CB 3.36Å; H113-H117 PolarHBondContact O-N 2.68Å; L114-H117 CarbonylContact O-C 3.43Å; L114-H117 PolarHBondContact O-N 3.08Å; L114-H117 VanDerWaalsContact O-N 3.12Å; K115-H117 VanDerWaalsContact C-N 3.31Å; H117-K119 PolarHBondContact O-N 2.83Å; H117-T120 PolarHBondContact ND1-OG1 3.07Å; H117-T120 VanDerWaalsContact ND1-OG1 3.09Å; H117-T120 WeakPolarHBondContact O-CA 3.42Å; H117-T120 WeakPolarHBondContact O-CB 3.48Å; H117-T120 PolarHBondContact O-N 3.31Å; H117-T120 PolarHBondContact O-OG1 3.09Å; H117-H121 AromaticContact CD2-NE2 3.77Å; H117-H121 AromaticContact CE1-CD2 3.97Å; H117-H121 AromaticContact CE1-NE2 3.18Å; H117-H121 PolarHBondContact CE1-NE2 3.06Å; H117-H121 AromaticContact NE2-CD2 3.8Å; H117-H121 AromaticContact NE2-NE2 2.99Å; H117-H121 PolarHBondContact NE2-NE2 3.49Å; H117-H121 PolarHBondContact O-CD2 3.49Å
118	M	75.5	Confident	68.7	Low	43 Å²	43	83 Å²	83	21%	0.212	42%	0.419	C	S	.	.	H	α-helix	trans	-59.1	-36	172.2	-65.6	-49.9	-64.7	0	0	111	I103 L114 K115 T120 H121 E122	I103-M118 HydrophobicContact CD1-CE 3.58Å; I103-M118 HydrophobicContact CG1-CE 4.08Å; L114-M118 HydrophobicContact CD1-CG 4.12Å; L114-M118 HydrophobicContact CD1-SD 3.88Å; L114-M118 HydrophobicContact CG-CG 4.35Å; L114-M118 WeakPolarHBondContact O-CG 3.4Å; L114-M118 PolarHBondContact O-N 3.07Å; K115-M118 PolarHBondContact O-N 3.02Å; M118-T120 PolarHBondContact O-N 3.32Å; M118-H121 WeakPolarHBondContact O-CB 3.19Å; M118-H121 PolarHBondContact O-N 3.23Å; M118-E122 WeakPolarHBondContact O-CG 3.32Å; M118-E122 PolarHBondContact O-N 2.67Å
119	K	72.9	Confident	68	Low	113 Å²	113	83.6 Å²	83.6	49%	0.491	43%	0.427	S	S	.	.	H	α-helix	trans	-58.7	-33	170.5	-61.8	-172.9	175.1	-169.7	0	113.3	K115 L116 H117 H121 E122 I123	K115-K119 PolarHBondContact O-N 2.69Å; L116-K119 WeakPolarHBondContact O-CB 3.17Å; L116-K119 PolarHBondContact O-N 2.77Å; H117-K119 PolarHBondContact O-N 2.83Å; K119-H121 PolarHBondContact O-N 3.27Å; K119-E122 PolarHBondContact O-N 3.3Å; K119-E122 VanDerWaalsContact O-N 3.14Å; K119-I123 HydrophobicContact CB-CD1 4.03Å; K119-I123 WeakPolarHBondContact O-CB 3.18Å; K119-I123 WeakPolarHBondContact O-CD1 3.36Å; K119-I123 WeakPolarHBondContact O-CG1 3.45Å; K119-I123 PolarHBondContact O-N 3.04Å
120	T	57.1	Low	67.7	Low	89 Å²	89	81.1 Å²	81.1	55%	0.546	42%	0.416	S	S	.	.	H	α-helix	trans	-69.3	-14.9	175.5	62.4	0	0	0	0	113.7	H117 M118	H117-T120 PolarHBondContact ND1-OG1 3.07Å; H117-T120 VanDerWaalsContact ND1-OG1 3.09Å; H117-T120 WeakPolarHBondContact O-CA 3.42Å; H117-T120 WeakPolarHBondContact O-CB 3.48Å; H117-T120 PolarHBondContact O-N 3.31Å; H117-T120 PolarHBondContact O-OG1 3.09Å; M118-T120 PolarHBondContact O-N 3.32Å
121	H	58.8	Low	67.2	Low	65 Å²	65	84.1 Å²	84.1	30%	0.301	44%	0.44	S	S	.	.	H	α-helix	trans	-93.4	-25.3	168.4	-61.4	-75.2	0	0	0	112.9	C101 I103 H117 M118 K119	C101-H121 PolarHBondContact SG-NE2 3.16Å; I103-H121 HydrophobicContact CD1-CB 3.57Å; I103-H121 HydrophobicContact CG2-CB 4.33Å; I103-H121 VanDerWaalsContact CG2-ND1 3.33Å; I103-H121 WeakPolarHBondContact CG2-ND1 3.24Å; H117-H121 AromaticContact CD2-NE2 3.77Å; H117-H121 AromaticContact CE1-CD2 3.97Å; H117-H121 AromaticContact CE1-NE2 3.18Å; H117-H121 PolarHBondContact CE1-NE2 3.06Å; H117-H121 AromaticContact NE2-CD2 3.8Å; H117-H121 AromaticContact NE2-NE2 2.99Å; H117-H121 PolarHBondContact NE2-NE2 3.49Å; H117-H121 PolarHBondContact O-CD2 3.49Å; M118-H121 WeakPolarHBondContact O-CB 3.19Å; M118-H121 PolarHBondContact O-N 3.23Å; K119-H121 PolarHBondContact O-N 3.27Å
122	E	55.5	Low	66.2	Low	142 Å²	142	86.1 Å²	86.1	66%	0.664	45%	0.445	S	S	*	.	H	α-helix	trans	-77.3	-22.7	173.3	-64.4	164.1	175.9	0	0	112.6	M118 K119	M118-E122 WeakPolarHBondContact O-CG 3.32Å; M118-E122 PolarHBondContact O-N 2.67Å; K119-E122 PolarHBondContact O-N 3.3Å; K119-E122 VanDerWaalsContact O-N 3.14Å
123	I	44.4	Very low	65.5	Low	72 Å²	72	85.4 Å²	85.4	37%	0.369	45%	0.445	S	S	.	.			trans	-102.2	82.1	-174.2	-60	163.3	0	0	0	110.6	K119 K125	K119-I123 HydrophobicContact CB-CD1 4.03Å; K119-I123 WeakPolarHBondContact O-CB 3.18Å; K119-I123 WeakPolarHBondContact O-CD1 3.36Å; K119-I123 WeakPolarHBondContact O-CG1 3.45Å; K119-I123 PolarHBondContact O-N 3.04Å; I123-K125 PolarHBondContact O-N 2.92Å
124	S	44.6	Very low	64.7	Low	119 Å²	119	87.8 Å²	87.8	83%	0.832	46%	0.456	S	S	*	.			trans	-82.8	16.7	151.7	62.9	0	0	0	0	112
125	K	50.1	Low	63.7	Low	117 Å²	117	94.1 Å²	94.1	51%	0.509	48%	0.478	S	S	.	.			trans	-134.2	74.7	-161.7	-169.6	-176.6	178.8	172.9	0	111.4	I123 A127 H328	I123-K125 PolarHBondContact O-N 2.92Å; K125-A127 PolarHBondContact O-N 3.41Å; K125-H328 WeakPolarHBondContact CD-NE2 3.3Å; K125-H328 PolarHBondContact NZ-NE2 3.22Å
126	Y	55.6	Low	63.1	Low	131 Å²	131	87.5 Å²	87.5	51%	0.514	46%	0.455	S	S	.	.			trans	-65.1	119.7	163.7	-59.7	-72.3	0	0	0	108.8	G136	Y126-G136 VanDerWaalsContact CG-CA 3.41Å
127	A	55.6	Low	63	Low	75 Å²	75	83.4 Å²	83.4	62%	0.62	43%	0.432	S	S	*	.	S	Bend	trans	-77.7	-16	179.5	0	0	0	0	0	112.5	K125	K125-A127 PolarHBondContact O-N 3.41Å
128	F	59.5	Low	62.8	Low	71 Å²	71	88.4 Å²	88.4	31%	0.311	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	121.7	-176.7	-57.9	-80.7	0	0	0	107.3	F137 N140 L143	F128-F137 HydrophobicContact CB-CB 4.31Å; F128-F137 PolarHBondContact O-N 2.84Å; F128-N140 HydrophobicContact CD1-CB 3.8Å; F128-N140 WeakPolarHBondContact CD1-OD1 3.07Å; F128-N140 VanDerWaalsContact CD2-N 3.33Å; F128-N140 HydrophobicContact CE1-CB 3.55Å; F128-N140 WeakPolarHBondContact CE1-OD1 3.38Å; F128-N140 HydrophobicContact CE2-CB 4.29Å; F128-N140 HydrophobicContact CG-CB 4.29Å; F128-N140 HydrophobicContact CZ-CB 3.82Å; F128-L143 HydrophobicContact CB-CB 3.85Å; F128-L143 HydrophobicContact CB-CD2 3.78Å; F128-L143 HydrophobicContact CB-CG 4.44Å; F128-L143 HydrophobicContact CD1-CD2 4.48Å
129	V	66	Low	62.7	Low	58 Å²	58	88.5 Å²	88.5	35%	0.352	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.1	-177	179.5	0	0	0	0	108.1	V131 R135	V129-V131 PolarHBondContact O-N 3.37Å; V129-R135 WeakPolarHBondContact CA-O 3.35Å
130	C	72.2	Confident	63	Low	1 Å²	1	86.1 Å²	86.1	1%	0.007	46%	0.457	C	S	.	.			trans	-76.6	120	178.1	-173.6	0	0	0	0	111	I132 C133 Q134 R135 F137 L143 H146 H151	C130-I132 PolarHBondContact O-N 3.27Å; C130-I132 VanDerWaalsContact O-N 3.1Å; C130-C133 PolarHBondContact O-N 3.3Å; C130-Q134 WeakPolarHBondContact O-CA 3.45Å; C130-Q134 PolarHBondContact O-N 2.97Å; C130-R135 PolarHBondContact N-O 2.81Å; C130-F137 HydrophobicContact CB-CE2 4.15Å; C130-L143 HydrophobicContact CB-CD1 3.71Å; C130-H146 WeakPolarHBondContact CB-NE2 3.34Å; C130-H146 PolarHBondContact SG-NE2 2.89Å; C130-H151 PolarHBondContact SG-CD2 3.09Å; C130-H151 PolarHBondContact SG-NE2 2.98Å
131	V	72.1	Confident	64.3	Low	115 Å²	115	85.8 Å²	85.8	70%	0.697	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-14.2	-178.9	-61	0	0	0	0	113.9	V129	V129-V131 PolarHBondContact O-N 3.37Å
132	I	66.1	Low	65.2	Low	101 Å²	101	83.9 Å²	83.9	52%	0.518	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-30.1	-176.1	-56.1	172.5	0	0	0	112.9	C130 F147 H151	C130-I132 PolarHBondContact O-N 3.27Å; C130-I132 VanDerWaalsContact O-N 3.1Å; I132-F147 HydrophobicContact CD1-CD2 4.35Å; I132-F147 HydrophobicContact CD1-CE2 3.54Å; I132-F147 HydrophobicContact CD1-CZ 3.98Å; I132-F147 HydrophobicContact CG1-CE2 4.28Å; I132-H151 HydrophobicContact CD1-CB 3.74Å; I132-H151 VanDerWaalsContact CG2-ND1 3.29Å; I132-H151 WeakPolarHBondContact CG2-ND1 3.25Å
133	C	67.9	Low	66.4	Low	60 Å²	60	78.5 Å²	78.5	41%	0.405	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	5.9	175.9	72	0	0	0	0	115.4	C130 R135 H146 H151	C130-C133 PolarHBondContact O-N 3.3Å; C133-R135 PolarHBondContact O-N 3.11Å; C133-R135 VanDerWaalsContact SG-CB 3.51Å; C133-H146 PolarHBondContact SG-CE1 3.35Å; C133-H146 PolarHBondContact SG-NE2 2.9Å; C133-H151 PolarHBondContact SG-NE2 3.45Å
134	Q	65	Low	68.1	Low	140 Å²	140	80.1 Å²	80.1	65%	0.654	44%	0.435	S	S	*	.			trans	54.8	16	-178.2	-57.6	-62.2	-17.5	0	0	115.3	C130	C130-Q134 WeakPolarHBondContact O-CA 3.45Å; C130-Q134 PolarHBondContact O-N 2.97Å
135	R	65.4	Low	69.8	Low	166 Å²	166	77.6 Å²	77.6	63%	0.626	42%	0.418	S	S	*	.			trans	-72.3	134.4	175.9	-165.9	168.7	-170.3	83.6	-1.5	110.3	V129 C130 C133 F137	V129-R135 WeakPolarHBondContact CA-O 3.35Å; C130-R135 PolarHBondContact N-O 2.81Å; C133-R135 PolarHBondContact O-N 3.11Å; C133-R135 VanDerWaalsContact SG-CB 3.51Å; R135-F137 HydrophobicContact CB-CE2 3.9Å; R135-F137 HydrophobicContact CB-CZ 3.99Å; R135-F137 HydrophobicContact CG-CE2 4.07Å; R135-F137 HydrophobicContact CG-CZ 3.77Å; R135-F137 VanDerWaalsContact O-CD2 3.31Å; R135-F137 WeakPolarHBondContact O-CD2 3.19Å; R135-F137 WeakPolarHBondContact O-CE2 3.31Å
136	G	68.5	Low	71.3	Confident	19 Å²	19	72.8 Å²	72.8	20%	0.196	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.1	-178.7	0	0	0	0	0	113.9	Y126	Y126-G136 VanDerWaalsContact CG-CA 3.41Å
137	F	75.4	Confident	72.2	Confident	27 Å²	27	70.2 Å²	70.2	12%	0.118	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.4	-177.2	-60.2	-82.8	0	0	0	111.8	F128 C130 R135 A142 L143 H146	F128-F137 HydrophobicContact CB-CB 4.31Å; F128-F137 PolarHBondContact O-N 2.84Å; C130-F137 HydrophobicContact CB-CE2 4.15Å; R135-F137 HydrophobicContact CB-CE2 3.9Å; R135-F137 HydrophobicContact CB-CZ 3.99Å; R135-F137 HydrophobicContact CG-CE2 4.07Å; R135-F137 HydrophobicContact CG-CZ 3.77Å; R135-F137 VanDerWaalsContact O-CD2 3.31Å; R135-F137 WeakPolarHBondContact O-CD2 3.19Å; R135-F137 WeakPolarHBondContact O-CE2 3.31Å; F137-A142 HydrophobicContact CB-CB 4.15Å; F137-A142 HydrophobicContact CD1-CB 3.99Å; F137-A142 VanDerWaalsContact CD1-O 3.32Å; F137-A142 WeakPolarHBondContact CD1-O 3.22Å; F137-A142 HydrophobicContact CG-CB 4.43Å; F137-L143 HydrophobicContact CB-CB 4.19Å; F137-L143 HydrophobicContact CD2-CB 3.99Å; F137-L143 HydrophobicContact CD2-CD1 3.95Å; F137-L143 HydrophobicContact CE2-CD1 4.18Å; F137-L143 HydrophobicContact CG-CB 4.19Å; F137-H146 HydrophobicContact CE1-CB 3.73Å; F137-H146 AromaticContact CE1-CG 3.94Å; F137-H146 HydrophobicContact CE2-CB 4.12Å; F137-H146 AromaticContact CE2-CD2 3.26Å; F137-H146 WeakPolarHBondContact CE2-CD2 3.38Å; F137-H146 AromaticContact CE2-CG 3.72Å; F137-H146 AromaticContact CE2-NE2 3.89Å; F137-H146 HydrophobicContact CZ-CB 3.48Å; F137-H146 VanDerWaalsContact CZ-CB 3.48Å; F137-H146 AromaticContact CZ-CD2 3.25Å; F137-H146 WeakPolarHBondContact CZ-CD2 3.32Å; F137-H146 AromaticContact CZ-CG 3.18Å; F137-H146 AromaticContact CZ-ND1 3.8Å; F137-H146 AromaticContact CZ-NE2 3.87Å
138	N	71.5	Confident	73.3	Confident	132 Å²	132	71.9 Å²	71.9	71%	0.706	38%	0.384	S	S	*	.	S	Bend	trans	-93	-1.2	-176.6	61.7	1	0	0	0	113.7
139	S	73.4	Confident	73.8	Confident	45 Å²	45	70.8 Å²	70.8	32%	0.315	38%	0.383	S	S	.	.	S	Bend	trans	-155.3	157.5	175.3	65	0	0	0	0	110.5	A142 L143	S139-A142 PolarHBondContact O-N 2.99Å; S139-A142 WeakPolarHBondContact OG-CB 3.42Å; S139-A142 PolarHBondContact OG-N 3.14Å; S139-L143 PolarHBondContact O-N 2.96Å
140	N	79.2	Confident	73.8	Confident	63 Å²	63	74.5 Å²	74.5	34%	0.337	39%	0.392	S	S	.	.	H	α-helix	trans	-62.7	-43.6	178.1	-165.2	59.2	0	0	0	111.4	F128 A142 L143 E144	F128-N140 HydrophobicContact CD1-CB 3.8Å; F128-N140 WeakPolarHBondContact CD1-OD1 3.07Å; F128-N140 VanDerWaalsContact CD2-N 3.33Å; F128-N140 HydrophobicContact CE1-CB 3.55Å; F128-N140 WeakPolarHBondContact CE1-OD1 3.38Å; F128-N140 HydrophobicContact CE2-CB 4.29Å; F128-N140 HydrophobicContact CG-CB 4.29Å; F128-N140 HydrophobicContact CZ-CB 3.82Å; N140-A142 PolarHBondContact O-N 3.38Å; N140-L143 CarbonylContact O-C 3.49Å; N140-L143 WeakPolarHBondContact O-CA 3.42Å; N140-L143 WeakPolarHBondContact O-CB 3.44Å; N140-L143 PolarHBondContact O-N 3.13Å; N140-E144 PolarHBondContact ND2-OE1 3.08Å; N140-E144 PolarHBondContact ND2-OE2 3.3Å; N140-E144 VanDerWaalsContact ND2-OE2 3.13Å; N140-E144 WeakPolarHBondContact O-CG 3.45Å; N140-E144 PolarHBondContact O-N 2.79Å
141	S	83	Confident	73.8	Confident	82 Å²	82	76.7 Å²	76.7	57%	0.573	40%	0.402	S	S	*	.	H	α-helix	trans	-61.3	-29.5	-179.9	-45.6	0	0	0	0	113.3	E144 S145	S141-E144 WeakPolarHBondContact CA-OE2 3.35Å; S141-S145 WeakPolarHBondContact O-CB 3.46Å; S141-S145 PolarHBondContact O-N 3.49Å; S141-S145 PolarHBondContact O-OG 3.32Å
142	A	78.4	Confident	73.3	Confident	25 Å²	25	74.8 Å²	74.8	21%	0.207	39%	0.387	C	S	.	.	H	α-helix	trans	-76.2	-28.2	173.4	0	0	0	0	0	112.9	F137 S139 N140 S145 H146	F137-A142 HydrophobicContact CB-CB 4.15Å; F137-A142 HydrophobicContact CD1-CB 3.99Å; F137-A142 VanDerWaalsContact CD1-O 3.32Å; F137-A142 WeakPolarHBondContact CD1-O 3.22Å; F137-A142 HydrophobicContact CG-CB 4.43Å; S139-A142 PolarHBondContact O-N 2.99Å; S139-A142 WeakPolarHBondContact OG-CB 3.42Å; S139-A142 PolarHBondContact OG-N 3.14Å; N140-A142 PolarHBondContact O-N 3.38Å; A142-S145 PolarHBondContact O-OG 3.12Å; A142-H146 VanDerWaalsContact O-CB 3.26Å; A142-H146 WeakPolarHBondContact O-CB 3.21Å; A142-H146 PolarHBondContact O-N 3.29Å
143	L	81.3	Confident	72	Confident	29 Å²	29	77.3 Å²	77.3	15%	0.152	40%	0.395	C	S	.	.	H	α-helix	trans	-72.6	-45.9	168.5	168.3	61.8	0	0	0	111	F128 C130 F137 S139 N140 H146 F147	F128-L143 HydrophobicContact CB-CB 3.85Å; F128-L143 HydrophobicContact CB-CD2 3.78Å; F128-L143 HydrophobicContact CB-CG 4.44Å; F128-L143 HydrophobicContact CD1-CD2 4.48Å; C130-L143 HydrophobicContact CB-CD1 3.71Å; F137-L143 HydrophobicContact CB-CB 4.19Å; F137-L143 HydrophobicContact CD2-CB 3.99Å; F137-L143 HydrophobicContact CD2-CD1 3.95Å; F137-L143 HydrophobicContact CE2-CD1 4.18Å; F137-L143 HydrophobicContact CG-CB 4.19Å; S139-L143 PolarHBondContact O-N 2.96Å; N140-L143 CarbonylContact O-C 3.49Å; N140-L143 WeakPolarHBondContact O-CA 3.42Å; N140-L143 WeakPolarHBondContact O-CB 3.44Å; N140-L143 PolarHBondContact O-N 3.13Å; L143-H146 PolarHBondContact O-N 3.28Å; L143-F147 WeakPolarHBondContact O-CB 3.39Å; L143-F147 PolarHBondContact O-N 2.85Å
144	E	78.8	Confident	70.3	Confident	106 Å²	106	77.9 Å²	77.9	50%	0.495	41%	0.411	S	S	.	.	H	α-helix	trans	-62	-47.4	-179.5	-71.3	167.9	144.7	0	0	111.7	N140 S141 H146 F147 Q148	N140-E144 PolarHBondContact ND2-OE1 3.08Å; N140-E144 PolarHBondContact ND2-OE2 3.3Å; N140-E144 VanDerWaalsContact ND2-OE2 3.13Å; N140-E144 WeakPolarHBondContact O-CG 3.45Å; N140-E144 PolarHBondContact O-N 2.79Å; S141-E144 WeakPolarHBondContact CA-OE2 3.35Å; E144-H146 VanDerWaalsContact C-N 3.31Å; E144-H146 PolarHBondContact O-N 2.81Å; E144-F147 PolarHBondContact O-N 3.33Å; E144-Q148 WeakPolarHBondContact O-CB 3.33Å; E144-Q148 PolarHBondContact O-N 3.34Å
145	S	81.8	Confident	68.7	Low	67 Å²	67	75.7 Å²	75.7	47%	0.469	41%	0.411	S	S	.	.	H	α-helix	trans	-61.5	-40.5	175.4	61.5	0	0	0	0	111.8	S141 A142 V149	S141-S145 WeakPolarHBondContact O-CB 3.46Å; S141-S145 PolarHBondContact O-N 3.49Å; S141-S145 PolarHBondContact O-OG 3.32Å; A142-S145 PolarHBondContact O-OG 3.12Å; S145-V149 WeakPolarHBondContact O-CB 3.39Å; S145-V149 VanDerWaalsContact O-CG2 3.26Å; S145-V149 WeakPolarHBondContact O-CG2 3.41Å; S145-V149 PolarHBondContact O-N 3.09Å
146	H	79.9	Confident	67.1	Low	16 Å²	16	76.9 Å²	76.9	7%	0.074	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-46.4	175.5	159.8	67	0	0	0	112.2	C130 C133 F137 A142 L143 E144 Q148 V149 Y150 H151	C130-H146 WeakPolarHBondContact CB-NE2 3.34Å; C130-H146 PolarHBondContact SG-NE2 2.89Å; C133-H146 PolarHBondContact SG-CE1 3.35Å; C133-H146 PolarHBondContact SG-NE2 2.9Å; F137-H146 HydrophobicContact CE1-CB 3.73Å; F137-H146 AromaticContact CE1-CG 3.94Å; F137-H146 HydrophobicContact CE2-CB 4.12Å; F137-H146 AromaticContact CE2-CD2 3.26Å; F137-H146 WeakPolarHBondContact CE2-CD2 3.38Å; F137-H146 AromaticContact CE2-CG 3.72Å; F137-H146 AromaticContact CE2-NE2 3.89Å; F137-H146 HydrophobicContact CZ-CB 3.48Å; F137-H146 VanDerWaalsContact CZ-CB 3.48Å; F137-H146 AromaticContact CZ-CD2 3.25Å; F137-H146 WeakPolarHBondContact CZ-CD2 3.32Å; F137-H146 AromaticContact CZ-CG 3.18Å; F137-H146 AromaticContact CZ-ND1 3.8Å; F137-H146 AromaticContact CZ-NE2 3.87Å; A142-H146 VanDerWaalsContact O-CB 3.26Å; A142-H146 WeakPolarHBondContact O-CB 3.21Å; A142-H146 PolarHBondContact O-N 3.29Å; L143-H146 PolarHBondContact O-N 3.28Å; E144-H146 VanDerWaalsContact C-N 3.31Å; E144-H146 PolarHBondContact O-N 2.81Å; H146-Q148 VanDerWaalsContact C-N 3.3Å; H146-Q148 PolarHBondContact O-N 3.39Å; H146-V149 PolarHBondContact O-N 2.83Å; H146-Y150 AromaticContact ND1-CD2 3.51Å; H146-Y150 AromaticContact ND1-CG 3.69Å; H146-Y150 WeakPolarHBondContact O-CB 3.33Å; H146-Y150 WeakPolarHBondContact O-CD2 3.22Å; H146-Y150 PolarHBondContact O-N 3.32Å; H146-H151 AromaticContact CE1-CD2 3.72Å; H146-H151 AromaticContact CE1-NE2 3.35Å; H146-H151 PolarHBondContact CE1-NE2 2.82Å; H146-H151 VanDerWaalsContact CE1-NE2 3.35Å; H146-H151 AromaticContact NE2-CD2 3.48Å; H146-H151 PolarHBondContact NE2-CD2 3.4Å; H146-H151 AromaticContact NE2-NE2 3.27Å; H146-H151 PolarHBondContact NE2-NE2 3.42Å
147	F	75.5	Confident	65.2	Low	76 Å²	76	85.1 Å²	85.1	33%	0.333	46%	0.457	S	S	.	.	H	α-helix	trans	-59.1	-44.1	177.8	-169.8	-87	0	0	0	110.7	I132 L143 E144 H151 N152	I132-F147 HydrophobicContact CD1-CD2 4.35Å; I132-F147 HydrophobicContact CD1-CE2 3.54Å; I132-F147 HydrophobicContact CD1-CZ 3.98Å; I132-F147 HydrophobicContact CG1-CE2 4.28Å; L143-F147 WeakPolarHBondContact O-CB 3.39Å; L143-F147 PolarHBondContact O-N 2.85Å; E144-F147 PolarHBondContact O-N 3.33Å; F147-H151 HydrophobicContact CD2-CB 4.42Å; F147-H151 CarbonylContact O-C 3.59Å; F147-H151 WeakPolarHBondContact O-CA 3.41Å; F147-H151 WeakPolarHBondContact O-CB 3.42Å; F147-H151 PolarHBondContact O-N 2.75Å; F147-N152 HydrophobicContact CD1-CB 4.41Å; F147-N152 HydrophobicContact CE1-CB 4.47Å; F147-N152 PolarHBondContact O-N 3.45Å
148	Q	78.7	Confident	63.1	Low	110 Å²	110	88 Å²	88	51%	0.514	49%	0.486	S	S	.	.	H	α-helix	trans	-67	-38.5	178.9	-167.4	62.5	17.9	0	0	113.5	E144 H146 N152	E144-Q148 WeakPolarHBondContact O-CB 3.33Å; E144-Q148 PolarHBondContact O-N 3.34Å; H146-Q148 VanDerWaalsContact C-N 3.3Å; H146-Q148 PolarHBondContact O-N 3.39Å; Q148-N152 PolarHBondContact OE1-ND2 2.83Å
149	V	70.6	Confident	61.4	Low	49 Å²	49	89.6 Å²	89.6	30%	0.297	49%	0.494	S	S	.	.	H	α-helix	trans	-82.3	-38.6	-177.2	173	0	0	0	0	112.7	S145 H146 K153	S145-V149 WeakPolarHBondContact O-CB 3.39Å; S145-V149 VanDerWaalsContact O-CG2 3.26Å; S145-V149 WeakPolarHBondContact O-CG2 3.41Å; S145-V149 PolarHBondContact O-N 3.09Å; H146-V149 PolarHBondContact O-N 2.83Å; V149-K153 PolarHBondContact O-NZ 3.16Å
150	Y	65.3	Low	59.3	Low	135 Å²	135	92.8 Å²	92.8	53%	0.529	52%	0.517	S	S	.	.	H	α-helix	trans	-106.6	-16.6	-168.5	-69.7	-95.3	0	0	0	115	H146 E483	H146-Y150 AromaticContact ND1-CD2 3.51Å; H146-Y150 AromaticContact ND1-CG 3.69Å; H146-Y150 WeakPolarHBondContact O-CB 3.33Å; H146-Y150 WeakPolarHBondContact O-CD2 3.22Å; H146-Y150 PolarHBondContact O-N 3.32Å; Y150-E483 PolarHBondContact OH-OE2 3.35Å
151	H	71.3	Confident	57.4	Low	48 Å²	48	94.4 Å²	94.4	22%	0.222	53%	0.531	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.5	-32.5	-175.1	-63.5	-56.7	0	0	0	114.9	C130 I132 C133 H146 F147 K153	C130-H151 PolarHBondContact SG-CD2 3.09Å; C130-H151 PolarHBondContact SG-NE2 2.98Å; I132-H151 HydrophobicContact CD1-CB 3.74Å; I132-H151 VanDerWaalsContact CG2-ND1 3.29Å; I132-H151 WeakPolarHBondContact CG2-ND1 3.25Å; C133-H151 PolarHBondContact SG-NE2 3.45Å; H146-H151 AromaticContact CE1-CD2 3.72Å; H146-H151 AromaticContact CE1-NE2 3.35Å; H146-H151 PolarHBondContact CE1-NE2 2.82Å; H146-H151 VanDerWaalsContact CE1-NE2 3.35Å; H146-H151 AromaticContact NE2-CD2 3.48Å; H146-H151 PolarHBondContact NE2-CD2 3.4Å; H146-H151 AromaticContact NE2-NE2 3.27Å; H146-H151 PolarHBondContact NE2-NE2 3.42Å; F147-H151 HydrophobicContact CD2-CB 4.42Å; F147-H151 CarbonylContact O-C 3.59Å; F147-H151 WeakPolarHBondContact O-CA 3.41Å; F147-H151 WeakPolarHBondContact O-CB 3.42Å; F147-H151 PolarHBondContact O-N 2.75Å; H151-K153 PolarHBondContact O-N 2.94Å
152	N	62.4	Low	54.9	Low	74 Å²	74	96.9 Å²	96.9	40%	0.396	54%	0.537	S	S	.	.	S	Bend	trans	-80.6	38.5	-179	-150.5	7.4	0	0	0	113.6	F147 Q148	F147-N152 HydrophobicContact CD1-CB 4.41Å; F147-N152 HydrophobicContact CE1-CB 4.47Å; F147-N152 PolarHBondContact O-N 3.45Å; Q148-N152 PolarHBondContact OE1-ND2 2.83Å
153	K	39.7	Very low	52.9	Low	154 Å²	154	103.4 Å²	103.4	67%	0.67	56%	0.563	S	S	*	*	S	Bend	trans	-128.7	63.8	177.9	-71.2	180	178.6	166.3	0	109.9	V149 H151	V149-K153 PolarHBondContact O-NZ 3.16Å; H151-K153 PolarHBondContact O-N 2.94Å
154	G	30.7	Very low	50.6	Low	72 Å²	72	106.8 Å²	106.8	74%	0.742	58%	0.582	S	S	*	*			trans	-159.1	-7.3	-176.2	0	0	0	0	0	118.2	Q156	G154-Q156 PolarHBondContact O-N 3.36Å
155	S	32.1	Very low	48.5	Very low	94 Å²	94	111 Å²	111	66%	0.657	59%	0.593	S	S	*	*			trans	-103.3	57.1	-169.6	45.6	0	0	0	0	114.8
156	Q	32.1	Very low	46.3	Very low	192 Å²	192	113.2 Å²	113.2	90%	0.897	60%	0.6	S	S	*	*	S	Bend	trans	-172.7	83.6	157.6	-111.7	159.5	89.2	0	0	113.2	G154	G154-Q156 PolarHBondContact O-N 3.36Å
157	Q	28.4	Very low	44.1	Very low	192 Å²	192	117.7 Å²	117.7	90%	0.897	63%	0.628	S	S	*	*			trans	-166.9	159.9	161.1	-109.9	164.4	16.9	0	0	109.3
158	A	31.2	Very low	42.1	Very low	88 Å²	88	119.1 Å²	119.1	73%	0.727	64%	0.643	S	S	*	*			trans	72.3	136.1	-166.4	0	0	0	0	0	114.5
159	N	35.1	Very low	39.8	Very low	164 Å²	164	122.4 Å²	122.4	88%	0.877	66%	0.656	S	S	*	*			cis	-149	178.7	-0.8	-99.8	-14	0	0	0	112.5
160	S	29.3	Very low	38	Very low	112 Å²	112	127.1 Å²	127.1	78%	0.783	68%	0.675	S	S	*	*			trans	-131.3	-173	176.1	-145.1	0	0	0	0	108.3
161	P	39	Very low	36.4	Very low	97 Å²	97	126.4 Å²	126.4	63%	0.63	68%	0.68	S	S	*	*			cis	-144.9	-171.5	2.8	46	-25.7	0	0	0	117.7
162	D	31.5	Very low	34.7	Very low	134 Å²	134	131.4 Å²	131.4	72%	0.717	70%	0.704	S	S	*	*			trans	65	133.8	142.7	-64	-22.8	0	0	0	127.3
163	H	35.5	Very low	33.3	Very low	162 Å²	162	132.6 Å²	132.6	75%	0.75	71%	0.714	S	S	*	*			trans	61.7	153.2	141.2	-81.3	-63.5	0	0	0	121.7
164	D	34.2	Very low	32.8	Very low	101 Å²	101	132.6 Å²	132.6	54%	0.54	72%	0.72	S	S	.	*			cis	-154.3	161.8	-4.9	-148.8	16.5	0	0	0	112.5
165	R	34.3	Very low	32.8	Very low	195 Å²	195	137.1 Å²	137.1	74%	0.736	73%	0.727	S	S	*	*			trans	63.8	162.6	147.6	-85.2	177.6	145.1	105.9	-0.9	122.4
166	D	34.8	Very low	32.9	Very low	113 Å²	113	137.8 Å²	137.8	60%	0.604	73%	0.729	S	S	*	*			cis	-142.3	179.8	-0.7	-134.2	-26.3	0	0	0	114.4
167	T	33.5	Very low	32.6	Very low	110 Å²	110	133.8 Å²	133.8	68%	0.675	72%	0.722	S	S	*	*			trans	-48.9	169.1	179	56.5	0	0	0	0	117
168	T	34.3	Very low	32.5	Very low	105 Å²	105	129.4 Å²	129.4	64%	0.644	71%	0.713	S	S	*	*			cis	-175	145.6	46.7	-19.3	0	0	0	0	113.2
169	F	31	Very low	32.3	Very low	180 Å²	180	131.2 Å²	131.2	79%	0.789	72%	0.715	S	S	*	*			trans	53.6	150.2	145.7	-77.8	-147.3	0	0	0	119.1
170	Q	33.2	Very low	32.1	Very low	147 Å²	147	128.9 Å²	128.9	69%	0.687	71%	0.711	S	S	*	*			cis	-170.1	163.2	-5.1	-114.8	-167.1	-61.5	0	0	106.2
171	D	31.2	Very low	32	Very low	121 Å²	121	132.3 Å²	132.3	65%	0.647	72%	0.715	S	S	*	*			cis	-161.4	-150.3	-11.2	-150.5	-45	0	0	0	107.6
172	E	34.9	Very low	31.8	Very low	153 Å²	153	133.2 Å²	133.2	72%	0.715	72%	0.721	S	S	*	*			trans	35.5	131.2	140.3	-68.3	-97.9	71.6	0	0	120.7
173	T	33	Very low	31.6	Very low	99 Å²	99	132 Å²	132	61%	0.607	72%	0.723	S	S	*	*			cis	-171.3	155.5	-21.6	9.2	0	0	0	0	108.2
174	L	29.9	Very low	31.2	Very low	153 Å²	153	130.3 Å²	130.3	80%	0.801	72%	0.724	S	S	*	*			trans	37.6	110.2	148	-59.9	167.6	0	0	0	120.6
175	L	30.4	Very low	30.6	Very low	168 Å²	168	134.1 Å²	134.1	88%	0.88	73%	0.732	S	S	*	*				178.3	142.8	103	-93.9	169.8	0	0	0	112.2
176	P	33.8	Very low	30.2	Very low	107 Å²	107	133 Å²	133	70%	0.695	73%	0.727	S	S	*	*			trans	-103.9	154.3	175	37.8	-31.4	0	0	0	113.2
177	S	26.4	Very low	29.9	Very low	109 Å²	109	135 Å²	135	76%	0.762	73%	0.734	S	S	*	*				171.8	146.8	124.4	-77.6	0	0	0	0	115
178	S	26.7	Very low	29.7	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	74%	0.739	S	S	*	*			trans	64	126.8	142.3	59.7	0	0	0	0	123.3
179	T	26.6	Very low	29.3	Very low	126 Å²	126	134.4 Å²	134.4	77%	0.773	74%	0.743	S	S	*	*			trans	89	140	132.9	44.8	0	0	0	0	123.5
180	S	29.6	Very low	29.3	Very low	115 Å²	115	133.5 Å²	133.5	80%	0.804	75%	0.746	S	S	*	*			trans	71.1	103.7	158.9	34	0	0	0	0	120.2
181	E	28.1	Very low	29.3	Very low	183 Å²	183	132.7 Å²	132.7	86%	0.855	75%	0.747	S	S	*	*			trans	-63.2	-176.1	147.4	-53.6	-177.7	121.3	0	0	112.1
182	P	35.6	Very low	29.5	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	76%	0.763	S	S	*	*				-136.8	162.7	-55.9	36.7	-21.9	0	0	0	113.1
183	S	26.2	Very low	30.1	Very low	110 Å²	110	131.3 Å²	131.3	77%	0.769	75%	0.748	S	S	*	*			trans	-171	123.6	144.5	60.4	0	0	0	0	115.5
184	V	26.8	Very low	30.8	Very low	126 Å²	126	130.7 Å²	130.7	76%	0.764	74%	0.737	S	S	*	*			trans	61.4	121.4	130.5	179.2	0	0	0	0	120.6
185	Y	23.1	Very low	32.2	Very low	180 Å²	180	126.9 Å²	126.9	71%	0.706	72%	0.717	S	S	*	*			trans	71.8	150.3	156.6	-95.9	-153.9	0	0	0	118.4
186	R	25.9	Very low	34	Very low	171 Å²	171	124.7 Å²	124.7	65%	0.645	70%	0.701	S	S	*	*			cis	-156.2	140.8	-6	-151.2	-174.6	-173.6	149.9	8.9	112.3
187	Q	28.5	Very low	35.9	Very low	157 Å²	157	119.7 Å²	119.7	73%	0.734	67%	0.668	S	S	*	*			trans	18.5	114	149.6	-59.8	167.8	-64.4	0	0	121.3
188	S	27.7	Very low	37.7	Very low	113 Å²	113	118.6 Å²	118.6	79%	0.79	66%	0.661	S	S	*	*				-159.8	115.6	116.8	54.8	0	0	0	0	107.6
189	A	26.9	Very low	39.7	Very low	88 Å²	88	118.2 Å²	118.2	73%	0.727	65%	0.649	S	S	*	*				68.3	92.4	59.7	0	0	0	0	0	112.5
190	D	30.6	Very low	42.2	Very low	161 Å²	161	114.9 Å²	114.9	86%	0.861	63%	0.631	S	S	*	*			trans	-179.4	-176.9	139.6	-86.5	-22	0	0	0	109.3
191	D	34.5	Very low	44.1	Very low	131 Å²	131	114.4 Å²	114.4	70%	0.701	62%	0.616	S	S	*	*			trans	79.4	9.6	-179.3	-82.4	-6.1	0	0	0	120.6	S193	D191-S193 PolarHBondContact O-N 3.1Å
192	L	34.7	Very low	46.3	Very low	186 Å²	186	110 Å²	110	97%	0.974	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91	65.5	171.2	-78.3	172.9	0	0	0	113.9
193	S	46.9	Very low	48	Very low	59 Å²	59	113.5 Å²	113.5	41%	0.413	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-142.3	-8.2	177.3	60.3	0	0	0	0	116.9	D191 L195 P205	D191-S193 PolarHBondContact O-N 3.1Å; S193-L195 PolarHBondContact O-N 3.3Å; S193-P205 CarbonylContact O-C 3.56Å
194	F	48.4	Very low	50	Low	86 Å²	86	110.1 Å²	110.1	38%	0.377	57%	0.568	S	S	.	*			trans	-84.8	107.6	-170.6	-63.7	-80.2	0	0	0	114.4	R203 M204 P205	F194-R203 HydrophobicContact CB-CB 4.11Å; F194-R203 HydrophobicContact CB-CG 3.93Å; F194-R203 HydrophobicContact CD1-CB 4.12Å; F194-R203 HydrophobicContact CG-CB 4.4Å; F194-M204 CarbonylContact C-O 3.56Å; F194-M204 WeakPolarHBondContact CA-O 3.41Å; F194-P205 HydrophobicContact CD1-CB 4.17Å; F194-P205 HydrophobicContact CE1-CB 3.86Å
195	L	57.9	Low	51.7	Low	72 Å²	72	107.4 Å²	107.4	38%	0.377	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.1	150.3	167	-72.9	82.6	0	0	0	110.6	S193 R203 M204 L210	S193-L195 PolarHBondContact O-N 3.3Å; L195-R203 CarbonylContact O-C 3.57Å; L195-R203 WeakPolarHBondContact O-CA 3.25Å; L195-M204 PolarHBondContact N-O 3.33Å; L195-M204 PolarHBondContact O-N 3.43Å; L195-L210 HydrophobicContact CB-CB 4.34Å; L195-L210 HydrophobicContact CB-CD1 4.29Å; L195-L210 HydrophobicContact CB-CD2 4.06Å; L195-L210 HydrophobicContact CB-CG 4.47Å; L195-L210 HydrophobicContact CD2-CD2 3.92Å
196	K	68.3	Low	54	Low	123 Å²	123	100.7 Å²	100.7	54%	0.535	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	132.9	-175.7	-164.8	-167.2	-177	-157.6	0	111.6	H201 L202	K196-H201 VanDerWaalsContact CE-CG 3.4Å; K196-H201 WeakPolarHBondContact CE-O 3.27Å; K196-H201 WeakPolarHBondContact CG-O 3.46Å; K196-H201 PolarHBondContact NZ-CD2 3.45Å; K196-H201 PolarHBondContact NZ-ND1 2.86Å; K196-L202 CarbonylContact C-O 3.54Å; K196-L202 WeakPolarHBondContact CA-O 3.09Å
197	C	74.5	Confident	55.9	Low	1 Å²	1	96 Å²	96	1%	0.007	53%	0.526	C	S	.	.			trans	-62.9	134.5	172.4	-179.2	0	0	0	0	112	I199 H201 L202 L210 H213 H218	C197-I199 PolarHBondContact SG-N 2.69Å; C197-I199 VanDerWaalsContact SG-N 3.36Å; C197-H201 VanDerWaalsContact O-CA 3.23Å; C197-H201 WeakPolarHBondContact O-CA 3.25Å; C197-H201 PolarHBondContact O-N 3.43Å; C197-H201 PolarHBondContact O-ND1 3.24Å; C197-L202 PolarHBondContact N-O 2.61Å; C197-L210 HydrophobicContact CB-CD1 4.31Å; C197-H213 WeakPolarHBondContact CB-NE2 3.36Å; C197-H213 PolarHBondContact SG-CD2 3.43Å; C197-H213 PolarHBondContact SG-NE2 3.42Å; C197-H218 PolarHBondContact SG-NE2 3.42Å
198	S	64.9	Low	58	Low	87 Å²	87	95.5 Å²	95.5	61%	0.608	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-27.7	177.2	46.9	0	0	0	0	113.5
199	I	69	Low	60.1	Low	91 Å²	91	91.7 Å²	91.7	47%	0.467	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-61.6	-175.3	-62.3	166.9	0	0	0	112.4	C197 H218 L220	C197-I199 PolarHBondContact SG-N 2.69Å; C197-I199 VanDerWaalsContact SG-N 3.36Å; I199-H218 WeakPolarHBondContact CB-ND1 3.33Å; I199-H218 HydrophobicContact CD1-CB 3.74Å; I199-H218 VanDerWaalsContact CG2-ND1 3.28Å; I199-H218 WeakPolarHBondContact CG2-ND1 3.16Å; I199-L220 HydrophobicContact CD1-CD1 3.48Å; I199-L220 VanDerWaalsContact CD1-CD1 3.48Å; I199-L220 HydrophobicContact CD1-CG 3.81Å; I199-L220 HydrophobicContact CG1-CD1 4.47Å
200	C	78.4	Confident	62.1	Low	56 Å²	56	88.8 Å²	88.8	38%	0.378	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	13.7	179.6	76	0	0	0	0	115	L202 H213 H218	C200-L202 PolarHBondContact O-N 2.77Å; C200-H213 PolarHBondContact SG-CE1 2.93Å; C200-H213 PolarHBondContact SG-NE2 3.09Å; C200-H218 PolarHBondContact SG-CE1 2.76Å; C200-H218 PolarHBondContact SG-NE2 3.09Å
201	H	68.9	Low	63.9	Low	106 Å²	106	85.5 Å²	85.5	49%	0.491	45%	0.451	S	S	.	.			trans	64.8	6	163.8	-70.7	-11.5	0	0	0	118.7	K196 C197	K196-H201 VanDerWaalsContact CE-CG 3.4Å; K196-H201 WeakPolarHBondContact CE-O 3.27Å; K196-H201 WeakPolarHBondContact CG-O 3.46Å; K196-H201 PolarHBondContact NZ-CD2 3.45Å; K196-H201 PolarHBondContact NZ-ND1 2.86Å; C197-H201 VanDerWaalsContact O-CA 3.23Å; C197-H201 WeakPolarHBondContact O-CA 3.25Å; C197-H201 PolarHBondContact O-N 3.43Å; C197-H201 PolarHBondContact O-ND1 3.24Å
202	L	73.8	Confident	65.6	Low	91 Å²	91	83.2 Å²	83.2	48%	0.476	45%	0.445	S	S	.	.			trans	-54.6	143.5	170.1	-102.7	68.5	0	0	0	112.5	K196 C197 C200 M204	K196-L202 CarbonylContact C-O 3.54Å; K196-L202 WeakPolarHBondContact CA-O 3.09Å; C197-L202 PolarHBondContact N-O 2.61Å; C200-L202 PolarHBondContact O-N 2.77Å; L202-M204 HydrophobicContact CB-SD 4.2Å; L202-M204 HydrophobicContact CD2-SD 4.44Å
203	R	71.2	Confident	67.4	Low	189 Å²	189	74.8 Å²	74.8	71%	0.713	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.2	169.9	-91.2	-177.4	162.9	171.2	-7.3	109.8	F194 L195	F194-R203 HydrophobicContact CB-CB 4.11Å; F194-R203 HydrophobicContact CB-CG 3.93Å; F194-R203 HydrophobicContact CD1-CB 4.12Å; F194-R203 HydrophobicContact CG-CB 4.4Å; L195-R203 CarbonylContact O-C 3.57Å; L195-R203 WeakPolarHBondContact O-CA 3.25Å
204	M	68.2	Low	68.3	Low	38 Å²	38	73 Å²	73	19%	0.187	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.5	179.6	-54.7	-51.5	-59	0	0	109.8	F194 L195 L202 S206 L210 H213	F194-M204 CarbonylContact C-O 3.56Å; F194-M204 WeakPolarHBondContact CA-O 3.41Å; L195-M204 PolarHBondContact N-O 3.33Å; L195-M204 PolarHBondContact O-N 3.43Å; L202-M204 HydrophobicContact CB-SD 4.2Å; L202-M204 HydrophobicContact CD2-SD 4.44Å; M204-S206 PolarHBondContact O-N 3.33Å; M204-S206 VanDerWaalsContact O-N 3.14Å; M204-L210 HydrophobicContact CB-CB 4.28Å; M204-L210 HydrophobicContact CG-CD1 4.23Å; M204-H213 HydrophobicContact CE-CB 4.12Å; M204-H213 HydrophobicContact CG-CB 3.98Å; M204-H213 HydrophobicContact SD-CB 4.04Å
205	P	63.6	Low	69	Low	70 Å²	70	70.8 Å²	70.8	46%	0.455	38%	0.378	S	S	.	.	S	Bend	trans	-74.8	-0.4	-168.3	30.3	-37.4	0	0	0	115.4	S193 F194	S193-P205 CarbonylContact O-C 3.56Å; F194-P205 HydrophobicContact CD1-CB 4.17Å; F194-P205 HydrophobicContact CE1-CB 3.86Å
206	S	70.6	Confident	69.5	Low	38 Å²	38	71 Å²	71	27%	0.266	39%	0.386	S	S	.	.	S	Bend	trans	-152.7	164	172.5	66.6	0	0	0	0	110.5	M204 E208 S209 L210	M204-S206 PolarHBondContact O-N 3.33Å; M204-S206 VanDerWaalsContact O-N 3.14Å; S206-E208 PolarHBondContact O-N 3.43Å; S206-S209 WeakPolarHBondContact O-CB 3.18Å; S206-S209 PolarHBondContact O-N 2.82Å; S206-S209 WeakPolarHBondContact OG-CB 3.37Å; S206-S209 PolarHBondContact OG-N 3.41Å; S206-S209 PolarHBondContact OG-OG 3.27Å; S206-L210 PolarHBondContact O-N 3.3Å
207	S	66.5	Low	69.5	Low	73 Å²	73	71.3 Å²	71.3	51%	0.51	39%	0.389	S	S	.	.	H	α-helix	trans	-60	-38.4	169.5	46	0	0	0	0	111.6	S209 L210 L211	S207-S209 PolarHBondContact O-N 3.47Å; S207-L210 CarbonylContact O-C 3.44Å; S207-L210 WeakPolarHBondContact O-CA 3.17Å; S207-L210 VanDerWaalsContact O-CB 3.3Å; S207-L210 WeakPolarHBondContact O-CB 3.45Å; S207-L210 PolarHBondContact O-N 3.13Å; S207-L210 VanDerWaalsContact O-N 3.12Å; S207-L211 VanDerWaalsContact O-CG 3.28Å; S207-L211 WeakPolarHBondContact O-CG 3.26Å; S207-L211 PolarHBondContact O-N 2.82Å
208	E	72.4	Confident	69.2	Low	146 Å²	146	73 Å²	73	68%	0.682	40%	0.396	S	S	*	.	H	α-helix	trans	-60.1	-44.4	174.6	-154	164.1	-139.8	0	0	111.5	S206 L210 L211 C212	S206-E208 PolarHBondContact O-N 3.43Å; E208-L210 VanDerWaalsContact C-N 3.33Å; E208-L210 PolarHBondContact O-N 3.35Å; E208-L211 PolarHBondContact O-N 2.8Å; E208-C212 PolarHBondContact O-N 2.63Å; E208-C212 PolarHBondContact O-SG 3.33Å
209	S	71	Confident	68.6	Low	33 Å²	33	73.8 Å²	73.8	23%	0.231	39%	0.394	C	S	.	.	H	α-helix	trans	-65.2	-34.8	173.1	-56.3	0	0	0	0	112.4	S206 S207 H213	S206-S209 WeakPolarHBondContact O-CB 3.18Å; S206-S209 PolarHBondContact O-N 2.82Å; S206-S209 WeakPolarHBondContact OG-CB 3.37Å; S206-S209 PolarHBondContact OG-N 3.41Å; S206-S209 PolarHBondContact OG-OG 3.27Å; S207-S209 PolarHBondContact O-N 3.47Å; S209-H213 VanDerWaalsContact O-CB 3.27Å; S209-H213 WeakPolarHBondContact O-CB 3.23Å; S209-H213 PolarHBondContact O-N 3.08Å
210	L	70.1	Confident	67.3	Low	28 Å²	28	74.9 Å²	74.9	15%	0.147	40%	0.4	C	S	.	.	H	α-helix	trans	-65.3	-40.9	173	-172.7	78	0	0	0	111.4	L195 C197 M204 S206 S207 E208 H213 L214	L195-L210 HydrophobicContact CB-CB 4.34Å; L195-L210 HydrophobicContact CB-CD1 4.29Å; L195-L210 HydrophobicContact CB-CD2 4.06Å; L195-L210 HydrophobicContact CB-CG 4.47Å; L195-L210 HydrophobicContact CD2-CD2 3.92Å; C197-L210 HydrophobicContact CB-CD1 4.31Å; M204-L210 HydrophobicContact CB-CB 4.28Å; M204-L210 HydrophobicContact CG-CD1 4.23Å; S206-L210 PolarHBondContact O-N 3.3Å; S207-L210 CarbonylContact O-C 3.44Å; S207-L210 WeakPolarHBondContact O-CA 3.17Å; S207-L210 VanDerWaalsContact O-CB 3.3Å; S207-L210 WeakPolarHBondContact O-CB 3.45Å; S207-L210 PolarHBondContact O-N 3.13Å; S207-L210 VanDerWaalsContact O-N 3.12Å; E208-L210 VanDerWaalsContact C-N 3.33Å; E208-L210 PolarHBondContact O-N 3.35Å; L210-H213 WeakPolarHBondContact O-CB 3.39Å; L210-H213 PolarHBondContact O-N 2.98Å; L210-L214 HydrophobicContact CD2-CD1 4.37Å; L210-L214 HydrophobicContact CG-CD1 4.05Å; L210-L214 WeakPolarHBondContact O-CB 3.23Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 2.78Å
211	L	69.2	Low	65.6	Low	92 Å²	92	73.5 Å²	73.5	48%	0.482	39%	0.389	S	S	.	.	H	α-helix	trans	-67.7	-48.4	177.4	-64.8	167	0	0	0	110.6	S207 E208 H213 L214 D215 I221	S207-L211 VanDerWaalsContact O-CG 3.28Å; S207-L211 WeakPolarHBondContact O-CG 3.26Å; S207-L211 PolarHBondContact O-N 2.82Å; E208-L211 PolarHBondContact O-N 2.8Å; L211-H213 PolarHBondContact O-N 3.03Å; L211-L214 PolarHBondContact O-N 3.28Å; L211-D215 WeakPolarHBondContact O-CB 3.38Å; L211-D215 PolarHBondContact O-N 3.08Å; L211-I221 HydrophobicContact CB-CD1 3.84Å; L211-I221 HydrophobicContact CD2-CD1 3.45Å; L211-I221 VanDerWaalsContact CD2-CD1 3.45Å; L211-I221 HydrophobicContact CG-CD1 4.24Å; L211-I221 WeakPolarHBondContact O-CD1 3.49Å
212	C	69.5	Low	63.9	Low	83 Å²	83	70.8 Å²	70.8	56%	0.561	38%	0.381	S	S	*	.	H	α-helix	trans	-57.1	-32.5	172.8	-69.1	0	0	0	0	112.9	E208 S216	E208-C212 PolarHBondContact O-N 2.63Å; E208-C212 PolarHBondContact O-SG 3.33Å; C212-S216 VanDerWaalsContact O-CB 3.25Å; C212-S216 WeakPolarHBondContact O-CB 3.34Å; C212-S216 PolarHBondContact O-N 3.21Å; C212-S216 PolarHBondContact O-OG 3.45Å
213	H	72.6	Confident	61.9	Low	9 Å²	9	67.8 Å²	67.8	4%	0.042	37%	0.368	C	S	.	.	H	α-helix	trans	-73.1	-39.7	173.5	174.9	83	0	0	0	113	C197 C200 M204 S209 L210 L211 Q217 H218	C197-H213 WeakPolarHBondContact CB-NE2 3.36Å; C197-H213 PolarHBondContact SG-CD2 3.43Å; C197-H213 PolarHBondContact SG-NE2 3.42Å; C200-H213 PolarHBondContact SG-CE1 2.93Å; C200-H213 PolarHBondContact SG-NE2 3.09Å; M204-H213 HydrophobicContact CE-CB 4.12Å; M204-H213 HydrophobicContact CG-CB 3.98Å; M204-H213 HydrophobicContact SD-CB 4.04Å; S209-H213 VanDerWaalsContact O-CB 3.27Å; S209-H213 WeakPolarHBondContact O-CB 3.23Å; S209-H213 PolarHBondContact O-N 3.08Å; L210-H213 WeakPolarHBondContact O-CB 3.39Å; L210-H213 PolarHBondContact O-N 2.98Å; L211-H213 PolarHBondContact O-N 3.03Å; H213-Q217 VanDerWaalsContact O-CB 3.3Å; H213-Q217 WeakPolarHBondContact O-CB 3.28Å; H213-Q217 PolarHBondContact O-N 3Å; H213-H218 AromaticContact CD2-CD2 3.81Å; H213-H218 AromaticContact CD2-NE2 3.81Å; H213-H218 AromaticContact CE1-NE2 3.74Å; H213-H218 AromaticContact NE2-CD2 3.56Å; H213-H218 AromaticContact NE2-NE2 3.06Å; H213-H218 PolarHBondContact NE2-NE2 3.06Å
214	L	65.6	Low	60.1	Low	22 Å²	22	62.3 Å²	62.3	12%	0.115	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-30.3	176.6	-73.2	167	0	0	0	113.2	L210 L211 H218 N219 L220 I221	L210-L214 HydrophobicContact CD2-CD1 4.37Å; L210-L214 HydrophobicContact CG-CD1 4.05Å; L210-L214 WeakPolarHBondContact O-CB 3.23Å; L210-L214 VanDerWaalsContact O-CG 3.26Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 2.78Å; L211-L214 PolarHBondContact O-N 3.28Å; L214-H218 HydrophobicContact CD2-CB 4.48Å; L214-H218 CarbonylContact O-C 3.53Å; L214-H218 WeakPolarHBondContact O-CB 3.24Å; L214-H218 PolarHBondContact O-N 3.08Å; L214-N219 PolarHBondContact O-N 3.34Å; L214-N219 VanDerWaalsContact O-N 3.17Å; L214-L220 HydrophobicContact CD2-CD1 4.29Å; L214-L220 PolarHBondContact O-N 2.87Å; L214-I221 HydrophobicContact CB-CD1 3.76Å; L214-I221 HydrophobicContact CB-CG1 4.22Å
215	D	62.3	Low	58.4	Low	39 Å²	39	66.9 Å²	66.9	21%	0.209	38%	0.383	C	S	.	.	H	α-helix	trans	-70.5	-63.3	169.3	-170.8	75.9	0	0	0	110	L211 Q217 N219 I221	L211-D215 WeakPolarHBondContact O-CB 3.38Å; L211-D215 PolarHBondContact O-N 3.08Å; D215-Q217 PolarHBondContact O-N 3.09Å; D215-N219 PolarHBondContact O-N 3.42Å; D215-I221 HydrophobicContact CB-CB 3.91Å; D215-I221 HydrophobicContact CB-CG2 4.13Å
216	S	68	Low	56.6	Low	77 Å²	77	70.1 Å²	70.1	54%	0.538	40%	0.404	S	S	.	.	H	α-helix	trans	-72.4	-19.3	-170.3	65.1	0	0	0	0	116.7	C212	C212-S216 VanDerWaalsContact O-CB 3.25Å; C212-S216 WeakPolarHBondContact O-CB 3.34Å; C212-S216 PolarHBondContact O-N 3.21Å; C212-S216 PolarHBondContact O-OG 3.45Å
217	Q	69.8	Low	54.6	Low	129 Å²	129	72.3 Å²	72.3	60%	0.603	43%	0.425	S	S	*	.	H	α-helix	trans	-117.6	-18.1	-178.6	-58.9	-64.8	-73.1	0	0	114	H213 D215	H213-Q217 VanDerWaalsContact O-CB 3.3Å; H213-Q217 WeakPolarHBondContact O-CB 3.28Å; H213-Q217 PolarHBondContact O-N 3Å; D215-Q217 PolarHBondContact O-N 3.09Å
218	H	68.4	Low	52.8	Low	35 Å²	35	78.5 Å²	78.5	16%	0.162	45%	0.445	C	S	.	.	H	α-helix	trans	-128.7	-9.7	-170	-60.8	-66.3	0	0	0	115.5	C197 I199 C200 H213 L214 L220	C197-H218 PolarHBondContact SG-NE2 3.42Å; I199-H218 WeakPolarHBondContact CB-ND1 3.33Å; I199-H218 HydrophobicContact CD1-CB 3.74Å; I199-H218 VanDerWaalsContact CG2-ND1 3.28Å; I199-H218 WeakPolarHBondContact CG2-ND1 3.16Å; C200-H218 PolarHBondContact SG-CE1 2.76Å; C200-H218 PolarHBondContact SG-NE2 3.09Å; H213-H218 AromaticContact CD2-CD2 3.81Å; H213-H218 AromaticContact CD2-NE2 3.81Å; H213-H218 AromaticContact CE1-NE2 3.74Å; H213-H218 AromaticContact NE2-CD2 3.56Å; H213-H218 AromaticContact NE2-NE2 3.06Å; H213-H218 PolarHBondContact NE2-NE2 3.06Å; L214-H218 HydrophobicContact CD2-CB 4.48Å; L214-H218 CarbonylContact O-C 3.53Å; L214-H218 WeakPolarHBondContact O-CB 3.24Å; L214-H218 PolarHBondContact O-N 3.08Å; H218-L220 HydrophobicContact CB-CG 4.33Å; H218-L220 PolarHBondContact O-N 3.04Å
219	N	50.6	Low	50.7	Low	105 Å²	105	75.9 Å²	75.9	56%	0.561	45%	0.449	S	S	*	.			trans	50.4	27.6	-174.5	-65.1	-54.8	0	0	0	113.7	L214 D215 I221 Q377	L214-N219 PolarHBondContact O-N 3.34Å; L214-N219 VanDerWaalsContact O-N 3.17Å; D215-N219 PolarHBondContact O-N 3.42Å; N219-I221 VanDerWaalsContact C-N 3.27Å; N219-Q377 PolarHBondContact OD1-NE2 3.01Å
220	L	42.5	Very low	48.8	Very low	113 Å²	113	79.5 Å²	79.5	59%	0.592	47%	0.472	S	S	*	.	S	Bend	trans	-84.6	-5.4	174.3	-80.7	-162.3	0	0	0	113	I199 L214 H218	I199-L220 HydrophobicContact CD1-CD1 3.48Å; I199-L220 VanDerWaalsContact CD1-CD1 3.48Å; I199-L220 HydrophobicContact CD1-CG 3.81Å; I199-L220 HydrophobicContact CG1-CD1 4.47Å; L214-L220 HydrophobicContact CD2-CD1 4.29Å; L214-L220 PolarHBondContact O-N 2.87Å; H218-L220 HydrophobicContact CB-CG 4.33Å; H218-L220 PolarHBondContact O-N 3.04Å
221	I	43.8	Very low	46.6	Very low	28 Å²	28	83.7 Å²	83.7	14%	0.144	50%	0.499	C	S	.	.	S	Bend	trans	-128.7	154.8	176	-61.5	176.3	0	0	0	105.7	L211 L214 D215 N219 F380	L211-I221 HydrophobicContact CB-CD1 3.84Å; L211-I221 HydrophobicContact CD2-CD1 3.45Å; L211-I221 VanDerWaalsContact CD2-CD1 3.45Å; L211-I221 HydrophobicContact CG-CD1 4.24Å; L211-I221 WeakPolarHBondContact O-CD1 3.49Å; L214-I221 HydrophobicContact CB-CD1 3.76Å; L214-I221 HydrophobicContact CB-CG1 4.22Å; D215-I221 HydrophobicContact CB-CB 3.91Å; D215-I221 HydrophobicContact CB-CG2 4.13Å; N219-I221 VanDerWaalsContact C-N 3.27Å; I221-F380 HydrophobicContact CG2-CE1 4.21Å; I221-F380 HydrophobicContact CG2-CE2 4.24Å; I221-F380 HydrophobicContact CG2-CZ 3.76Å
222	S	32.3	Very low	44.5	Very low	48 Å²	48	87.2 Å²	87.2	34%	0.336	52%	0.517	S	S	.	.			trans	-148.7	92.7	-175.5	-140.7	0	0	0	0	110.3	N378 G379 F380	S222-N378 VanDerWaalsContact C-CG 3.49Å; S222-N378 WeakPolarHBondContact CA-OD1 3.45Å; S222-N378 WeakPolarHBondContact CB-OD1 3.46Å; S222-N378 WeakPolarHBondContact OG-CA 3.34Å; S222-N378 PolarHBondContact OG-OD1 3.02Å; S222-G379 VanDerWaalsContact O-CA 3.3Å; S222-G379 WeakPolarHBondContact O-CA 3.4Å; S222-G379 PolarHBondContact O-N 3.13Å; S222-F380 WeakPolarHBondContact O-CD2 3.4Å; S222-F380 WeakPolarHBondContact O-CE2 3.5Å
223	S	31.4	Very low	42.4	Very low	28 Å²	28	87.7 Å²	87.7	20%	0.196	53%	0.527	C	S	.	.			trans	-129.1	118.8	-170.4	-51.7	0	0	0	0	114.2	N378 G379 F380	S223-N378 VanDerWaalsContact C-CB 3.43Å; S223-N378 PolarHBondContact N-ND2 3.4Å; S223-N378 WeakPolarHBondContact O-CB 3.39Å; S223-N378 PolarHBondContact O-ND2 2.89Å; S223-G379 CarbonylContact C-O 3.53Å; S223-G379 VanDerWaalsContact CA-N 3.35Å; S223-G379 WeakPolarHBondContact CA-O 3.34Å; S223-F380 VanDerWaalsContact OG-CD1 3.25Å; S223-F380 WeakPolarHBondContact OG-CD1 3.36Å; S223-F380 VanDerWaalsContact OG-CD2 3.28Å; S223-F380 WeakPolarHBondContact OG-CD2 3.46Å; S223-F380 WeakPolarHBondContact OG-CG 3.37Å
224	C	33.2	Very low	40.2	Very low	74 Å²	74	91.3 Å²	91.3	50%	0.5	56%	0.558	S	S	.	*			trans	-120	73.9	177.5	67.4	0	0	0	0	112.5	N378 G379	C224-N378 HydrophobicContact CB-CB 3.77Å; C224-N378 PolarHBondContact SG-O 3.3Å; C224-G379 VanDerWaalsContact N-N 3.16Å; C224-G379 PolarHBondContact N-O 2.86Å
225	N	33.1	Very low	38.3	Very low	134 Å²	134	97.2 Å²	97.2	72%	0.717	59%	0.59	S	S	*	*			trans	37.2	121	137.2	-59.3	-16	0	0	0	120.6
226	P	26.1	Very low	36.6	Very low	138 Å²	138	101.3 Å²	101.3	90%	0.896	62%	0.617	S	S	*	*			trans	-81.8	118.5	141.6	32.5	-27.8	0	0	0	110.3
227	A	27.9	Very low	34.6	Very low	84 Å²	84	105.2 Å²	105.2	69%	0.694	63%	0.631	S	S	*	*			trans	-155.4	105.6	174.1	0	0	0	0	0	113.5
228	E	29	Very low	32.6	Very low	203 Å²	203	103.2 Å²	103.2	95%	0.949	64%	0.636	S	S	*	*				-175.6	166.7	124.5	-101.9	-179.7	-177.3	0	0	111.4
229	A	28	Very low	30.7	Very low	92 Å²	92	107.1 Å²	107.1	76%	0.76	67%	0.668	S	S	*	*			trans	-97.7	176.7	-174	0	0	0	0	0	110.9
230	P	31.1	Very low	29.7	Very low	109 Å²	109	107.7 Å²	107.7	71%	0.708	68%	0.679	S	S	*	*			cis	-147	177.3	18.3	45.2	-25.1	0	0	0	118.7
231	T	25	Very low	29.2	Very low	115 Å²	115	110.1 Å²	110.1	71%	0.706	69%	0.693	S	S	*	*			trans	23	133.5	148.7	59.1	0	0	0	0	122.7
232	L	23.9	Very low	29	Very low	166 Å²	166	114 Å²	114	87%	0.869	72%	0.723	S	S	*	*			trans	85.2	118.7	145.8	-70.4	159.9	0	0	0	120.5
233	A	25	Very low	29.6	Very low	94 Å²	94	119.7 Å²	119.7	78%	0.777	74%	0.744	S	S	*	*			trans	79.5	131.4	143.8	0	0	0	0	0	121.3
234	A	26.5	Very low	30.9	Very low	84 Å²	84	122 Å²	122	69%	0.694	76%	0.757	S	S	*	*			trans	58	112.6	146.2	0	0	0	0	0	121
235	D	25.8	Very low	32.5	Very low	147 Å²	147	121 Å²	121	79%	0.786	75%	0.746	S	S	*	*			trans	63.5	139.5	132.8	-56.8	-38.7	0	0	0	122.9
236	T	27.4	Very low	34.2	Very low	124 Å²	124	121.2 Å²	121.2	76%	0.761	74%	0.74	S	S	*	*			trans	74.4	122.9	151.9	39.1	0	0	0	0	122.7
237	L	26.5	Very low	36.5	Very low	160 Å²	160	115.2 Å²	115.2	84%	0.838	70%	0.701	S	S	*	*			trans	77.6	103.8	135.2	-67.4	164.7	0	0	0	122.1
238	A	26.9	Very low	38.4	Very low	87 Å²	87	116 Å²	116	72%	0.719	70%	0.697	S	S	*	*				83.5	115.3	119.8	0	0	0	0	0	122.8
239	S	28	Very low	40.3	Very low	117 Å²	117	110.3 Å²	110.3	82%	0.818	67%	0.673	S	S	*	*				77.3	109.9	128.1	-171.6	0	0	0	0	121.5
240	S	31.1	Very low	42.3	Very low	116 Å²	116	107.7 Å²	107.7	81%	0.811	65%	0.649	S	S	*	*				-166.1	142	124.4	29.1	0	0	0	0	111.4
241	N	31.3	Very low	44	Very low	165 Å²	165	108.9 Å²	108.9	88%	0.882	66%	0.656	S	S	*	*			trans	-116.9	134.6	167.4	-72.4	-21.4	0	0	0	107.6
242	S	39.2	Very low	46	Very low	109 Å²	109	105.6 Å²	105.6	76%	0.762	64%	0.638	S	S	*	*			trans	-95.3	123	167.4	44	0	0	0	0	110.4	V244	S242-V244 PolarHBondContact O-N 2.87Å
243	E	45.6	Very low	48.4	Very low	168 Å²	168	100.1 Å²	100.1	79%	0.785	62%	0.617	S	S	*	*			trans	-89.6	94.9	174.9	-68.7	-168	126.7	0	0	109.9	M245	E243-M245 WeakPolarHBondContact O-CG 3.5Å; E243-M245 PolarHBondContact O-N 3.19Å
244	V	59.4	Low	51.2	Low	76 Å²	76	97.3 Å²	97.3	46%	0.461	59%	0.587	S	S	.	*			trans	-60.8	124	173.1	-177.9	0	0	0	0	109.5	S242 F246 A253	S242-V244 PolarHBondContact O-N 2.87Å; V244-F246 HydrophobicContact CG1-CE2 4.46Å; V244-F246 HydrophobicContact CG1-CZ 4.31Å; V244-A253 HydrophobicContact CG1-CB 4.06Å
245	M	66.4	Low	53.2	Low	54 Å²	54	101.2 Å²	101.2	27%	0.266	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.2	137.9	-175.7	-65.9	-120.2	-81.3	0	0	111.5	E243 A253 F254 A257 L260 F276	E243-M245 WeakPolarHBondContact O-CG 3.5Å; E243-M245 PolarHBondContact O-N 3.19Å; M245-A253 CarbonylContact O-C 3.22Å; M245-A253 WeakPolarHBondContact O-CA 3.43Å; M245-F254 PolarHBondContact N-O 3.29Å; M245-F254 PolarHBondContact O-N 3.05Å; M245-A257 HydrophobicContact CE-CB 3.88Å; M245-L260 HydrophobicContact CB-CD2 3.78Å; M245-L260 HydrophobicContact CE-CD2 3.94Å; M245-F276 HydrophobicContact CE-CE2 4.49Å
246	F	67.7	Low	55.6	Low	137 Å²	137	96.1 Å²	96.1	60%	0.601	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.9	144.3	-175.2	-61.8	-90.6	0	0	0	111.3	V244 A253	V244-F246 HydrophobicContact CG1-CE2 4.46Å; V244-F246 HydrophobicContact CG1-CZ 4.31Å; F246-A253 HydrophobicContact CD1-CB 3.67Å; F246-A253 HydrophobicContact CE1-CB 3.68Å
247	C	75	Confident	57.9	Low	12 Å²	12	93.1 Å²	93.1	8%	0.081	55%	0.554	C	S	.	*			trans	-68.2	135.4	169.5	-172.4	0	0	0	0	110.7	L249 C250 S252 F254 L260 H263 H268	C247-L249 PolarHBondContact O-N 3.29Å; C247-L249 PolarHBondContact SG-N 3.35Å; C247-C250 VanDerWaalsContact O-O 3.12Å; C247-S252 PolarHBondContact N-O 3.43Å; C247-F254 HydrophobicContact CB-CE2 4.27Å; C247-L260 HydrophobicContact CB-CD1 4.12Å; C247-H263 WeakPolarHBondContact CB-NE2 3.44Å; C247-H263 PolarHBondContact SG-NE2 3.14Å; C247-H268 VanDerWaalsContact SG-CD2 3.55Å; C247-H268 PolarHBondContact SG-NE2 2.94Å
248	V	67.2	Low	60.3	Low	100 Å²	100	93.3 Å²	93.3	61%	0.606	55%	0.551	S	S	*	*	S	Bend	trans	-74.5	-14.4	175.6	-179.1	0	0	0	0	111.9
249	L	68.5	Low	62.8	Low	85 Å²	85	93.4 Å²	93.4	45%	0.445	54%	0.536	S	S	.	.	S	Bend	trans	-113.2	-13	-169.1	-57.8	175.4	0	0	0	114.3	C247 H268 I270	C247-L249 PolarHBondContact O-N 3.29Å; C247-L249 PolarHBondContact SG-N 3.35Å; L249-H268 HydrophobicContact CD1-CB 3.69Å; L249-I270 HydrophobicContact CD1-CD1 3.99Å
250	C	70.2	Confident	65.3	Low	36 Å²	36	87.9 Å²	87.9	24%	0.243	50%	0.498	C	S	.	.	S	Bend	trans	-155.7	173.4	172.9	77.5	0	0	0	0	112	C247 S252 H263 H268	C247-C250 VanDerWaalsContact O-O 3.12Å; C250-S252 PolarHBondContact O-N 3.04Å; C250-S252 PolarHBondContact SG-OG 3.3Å; C250-H263 PolarHBondContact SG-CE1 2.9Å; C250-H263 PolarHBondContact SG-NE2 3.32Å; C250-H268 PolarHBondContact SG-NE2 2.9Å; C250-H268 VanDerWaalsContact SG-NE2 3.36Å
251	P	66.9	Low	67.5	Low	134 Å²	134	85 Å²	85	87%	0.87	47%	0.472	S	S	*	.	S	Bend	trans	-69.5	3.2	-176.2	-21.1	34.7	0	0	0	117
252	S	67.5	Low	69.8	Low	47 Å²	47	80.7 Å²	80.7	33%	0.329	46%	0.455	S	S	.	.			trans	-74.2	143.6	-174.2	-59.6	0	0	0	0	113.4	C247 C250 F254	C247-S252 PolarHBondContact N-O 3.43Å; C250-S252 PolarHBondContact O-N 3.04Å; C250-S252 PolarHBondContact SG-OG 3.3Å; S252-F254 VanDerWaalsContact CB-CZ 3.4Å
253	A	75.3	Confident	72	Confident	50 Å²	50	76.3 Å²	76.3	41%	0.413	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.3	177.5	0	0	0	0	0	110.6	V244 M245 F246	V244-A253 HydrophobicContact CG1-CB 4.06Å; M245-A253 CarbonylContact O-C 3.22Å; M245-A253 WeakPolarHBondContact O-CA 3.43Å; F246-A253 HydrophobicContact CD1-CB 3.67Å; F246-A253 HydrophobicContact CE1-CB 3.68Å
254	F	82.3	Confident	73.3	Confident	36 Å²	36	68.3 Å²	68.3	16%	0.158	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.8	-169.4	-57.3	-77.2	0	0	0	111.3	M245 C247 S252 E259 L260 H263	M245-F254 PolarHBondContact N-O 3.29Å; M245-F254 PolarHBondContact O-N 3.05Å; C247-F254 HydrophobicContact CB-CE2 4.27Å; S252-F254 VanDerWaalsContact CB-CZ 3.4Å; F254-E259 HydrophobicContact CB-CB 4.01Å; F254-E259 HydrophobicContact CD1-CB 3.77Å; F254-E259 HydrophobicContact CG-CB 4.19Å; F254-L260 HydrophobicContact CB-CB 4.09Å; F254-L260 HydrophobicContact CD2-CB 3.91Å; F254-L260 HydrophobicContact CD2-CD1 3.58Å; F254-L260 HydrophobicContact CD2-CG 4.33Å; F254-L260 HydrophobicContact CE2-CD1 3.9Å; F254-L260 HydrophobicContact CG-CB 4.08Å; F254-H263 HydrophobicContact CE1-CB 3.68Å; F254-H263 AromaticContact CE1-CG 3.96Å; F254-H263 HydrophobicContact CE2-CB 3.97Å; F254-H263 AromaticContact CE2-CD2 3.46Å; F254-H263 VanDerWaalsContact CE2-CD2 3.46Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.33Å; F254-H263 AromaticContact CE2-CG 3.66Å; F254-H263 HydrophobicContact CZ-CB 3.35Å; F254-H263 AromaticContact CZ-CD2 3.45Å; F254-H263 VanDerWaalsContact CZ-CD2 3.45Å; F254-H263 WeakPolarHBondContact CZ-CD2 3.36Å; F254-H263 AromaticContact CZ-CG 3.14Å; F254-H263 AromaticContact CZ-ND1 3.56Å; F254-H263 AromaticContact CZ-NE2 4Å
255	E	69.3	Low	74.2	Confident	166 Å²	166	69.4 Å²	69.4	78%	0.776	39%	0.385	S	S	*	.	S	Bend	trans	-88.9	-16.6	-177.9	-61.7	-174.4	-172.3	0	0	111.9	E259	E255-E259 PolarHBondContact N-OE2 3.28Å; E255-E259 VanDerWaalsContact N-OE2 3.1Å
256	S	75.8	Confident	74.7	Confident	40 Å²	40	71.1 Å²	71.1	28%	0.28	40%	0.402	S	S	.	.	S	Bend	trans	-132.2	157.9	176.3	67.9	0	0	0	0	113.4	E258 E259 L260	S256-E258 PolarHBondContact O-N 3.46Å; S256-E259 PolarHBondContact N-OE2 3.13Å; S256-E259 WeakPolarHBondContact OG-CB 3.45Å; S256-E259 VanDerWaalsContact OG-CD 3.25Å; S256-E259 WeakPolarHBondContact OG-CG 3.09Å; S256-E259 PolarHBondContact OG-N 2.83Å; S256-E259 VanDerWaalsContact OG-N 3.09Å; S256-E259 PolarHBondContact OG-OE2 3.36Å; S256-L260 PolarHBondContact O-N 3.22Å
257	A	75	Confident	75.1	Confident	60 Å²	60	68.9 Å²	68.9	50%	0.496	40%	0.399	S	S	.	.	H	α-helix	trans	-65.8	-26.2	170	0	0	0	0	0	112.5	M245 E261	M245-A257 HydrophobicContact CE-CB 3.88Å; A257-E261 WeakPolarHBondContact O-CB 3.48Å; A257-E261 PolarHBondContact O-N 3.15Å
258	E	77	Confident	75.2	Confident	164 Å²	164	70.7 Å²	70.7	77%	0.766	41%	0.407	S	S	*	.	H	α-helix	trans	-74.5	-41.2	-178.8	-60.9	-176.1	158	0	0	111.6	S256 E261 S262	S256-E258 PolarHBondContact O-N 3.46Å; E258-E261 PolarHBondContact O-N 3.35Å; E258-S262 VanDerWaalsContact O-CB 3.24Å; E258-S262 WeakPolarHBondContact O-CB 3.44Å; E258-S262 PolarHBondContact O-N 2.74Å
259	E	80.8	Confident	75.4	Confident	89 Å²	89	69.1 Å²	69.1	42%	0.416	41%	0.411	S	S	.	.	H	α-helix	trans	-64.6	-42.8	171.1	-70.2	162.5	140.9	0	0	111.8	F254 E255 S256 E261 S262 H263	F254-E259 HydrophobicContact CB-CB 4.01Å; F254-E259 HydrophobicContact CD1-CB 3.77Å; F254-E259 HydrophobicContact CG-CB 4.19Å; E255-E259 PolarHBondContact N-OE2 3.28Å; E255-E259 VanDerWaalsContact N-OE2 3.1Å; S256-E259 PolarHBondContact N-OE2 3.13Å; S256-E259 WeakPolarHBondContact OG-CB 3.45Å; S256-E259 VanDerWaalsContact OG-CD 3.25Å; S256-E259 WeakPolarHBondContact OG-CG 3.09Å; S256-E259 PolarHBondContact OG-N 2.83Å; S256-E259 VanDerWaalsContact OG-N 3.09Å; S256-E259 PolarHBondContact OG-OE2 3.36Å; E259-E261 VanDerWaalsContact C-N 3.34Å; E259-E261 PolarHBondContact O-N 3.24Å; E259-S262 PolarHBondContact O-N 2.85Å; E259-H263 VanDerWaalsContact O-CB 3.27Å; E259-H263 WeakPolarHBondContact O-CB 3.42Å; E259-H263 PolarHBondContact O-N 3.2Å
260	L	79.8	Confident	75.1	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.01	41%	0.409	C	S	.	.	H	α-helix	trans	-62.2	-40.9	175.5	174.9	63.3	0	0	0	111.7	M245 C247 F254 S256 S264 H272	M245-L260 HydrophobicContact CB-CD2 3.78Å; M245-L260 HydrophobicContact CE-CD2 3.94Å; C247-L260 HydrophobicContact CB-CD1 4.12Å; F254-L260 HydrophobicContact CB-CB 4.09Å; F254-L260 HydrophobicContact CD2-CB 3.91Å; F254-L260 HydrophobicContact CD2-CD1 3.58Å; F254-L260 HydrophobicContact CD2-CG 4.33Å; F254-L260 HydrophobicContact CE2-CD1 3.9Å; F254-L260 HydrophobicContact CG-CB 4.08Å; S256-L260 PolarHBondContact O-N 3.22Å; L260-S264 VanDerWaalsContact O-CB 3.23Å; L260-S264 WeakPolarHBondContact O-CB 3.3Å; L260-S264 PolarHBondContact O-N 2.89Å; L260-S264 PolarHBondContact O-OG 2.96Å; L260-H272 WeakPolarHBondContact CD2-ND1 3.42Å; L260-H272 HydrophobicContact CG-CB 4.24Å
261	E	77.4	Confident	75.1	Confident	55 Å²	55	72.2 Å²	72.2	26%	0.257	42%	0.419	S	S	.	.	H	α-helix	trans	-68.5	-45.2	176.1	-171.9	137.9	-118.7	0	0	111.1	A257 E258 E259 H263 S264 E265 K271 H272 S273	A257-E261 WeakPolarHBondContact O-CB 3.48Å; A257-E261 PolarHBondContact O-N 3.15Å; E258-E261 PolarHBondContact O-N 3.35Å; E259-E261 VanDerWaalsContact C-N 3.34Å; E259-E261 PolarHBondContact O-N 3.24Å; E261-H263 PolarHBondContact O-N 2.9Å; E261-S264 WeakPolarHBondContact CA-OG 3.27Å; E261-S264 PolarHBondContact O-N 3.34Å; E261-S264 VanDerWaalsContact O-N 3.08Å; E261-S264 PolarHBondContact O-OG 3.45Å; E261-E265 PolarHBondContact O-N 3.45Å; E261-K271 WeakPolarHBondContact OE1-CB 3.26Å; E261-H272 PolarHBondContact OE1-N 3.31Å; E261-S273 WeakPolarHBondContact OE1-CB 3.41Å; E261-S273 PolarHBondContact OE1-N 2.77Å; E261-S273 PolarHBondContact OE1-OG 3.02Å
262	S	79.4	Confident	74.8	Confident	75 Å²	75	66.3 Å²	66.3	52%	0.524	38%	0.38	S	S	.	.	H	α-helix	trans	-55.8	-45.3	173.2	178.5	0	0	0	0	112.8	E258 E259 E265 S266	E258-S262 VanDerWaalsContact O-CB 3.24Å; E258-S262 WeakPolarHBondContact O-CB 3.44Å; E258-S262 PolarHBondContact O-N 2.74Å; E259-S262 PolarHBondContact O-N 2.85Å; S262-E265 PolarHBondContact O-N 3.38Å; S262-S266 VanDerWaalsContact O-CB 3.3Å; S262-S266 WeakPolarHBondContact O-CB 3.41Å; S262-S266 PolarHBondContact O-N 3.4Å; S262-S266 PolarHBondContact O-OG 3.25Å
263	H	85.4	Confident	74.4	Confident	16 Å²	16	66.9 Å²	66.9	7%	0.074	38%	0.384	C	S	.	.	H	α-helix	trans	-62.5	-44.9	172.6	164.3	75.9	0	0	0	111.9	C247 C250 F254 E259 E261 E265 S266 V267 H268	C247-H263 WeakPolarHBondContact CB-NE2 3.44Å; C247-H263 PolarHBondContact SG-NE2 3.14Å; C250-H263 PolarHBondContact SG-CE1 2.9Å; C250-H263 PolarHBondContact SG-NE2 3.32Å; F254-H263 HydrophobicContact CE1-CB 3.68Å; F254-H263 AromaticContact CE1-CG 3.96Å; F254-H263 HydrophobicContact CE2-CB 3.97Å; F254-H263 AromaticContact CE2-CD2 3.46Å; F254-H263 VanDerWaalsContact CE2-CD2 3.46Å; F254-H263 WeakPolarHBondContact CE2-CD2 3.33Å; F254-H263 AromaticContact CE2-CG 3.66Å; F254-H263 HydrophobicContact CZ-CB 3.35Å; F254-H263 AromaticContact CZ-CD2 3.45Å; F254-H263 VanDerWaalsContact CZ-CD2 3.45Å; F254-H263 WeakPolarHBondContact CZ-CD2 3.36Å; F254-H263 AromaticContact CZ-CG 3.14Å; F254-H263 AromaticContact CZ-ND1 3.56Å; F254-H263 AromaticContact CZ-NE2 4Å; E259-H263 VanDerWaalsContact O-CB 3.27Å; E259-H263 WeakPolarHBondContact O-CB 3.42Å; E259-H263 PolarHBondContact O-N 3.2Å; E261-H263 PolarHBondContact O-N 2.9Å; H263-E265 VanDerWaalsContact C-N 3.31Å; H263-E265 PolarHBondContact O-N 3.28Å; H263-S266 WeakPolarHBondContact CA-OG 3.28Å; H263-S266 PolarHBondContact O-N 3.27Å; H263-S266 PolarHBondContact O-OG 2.95Å; H263-V267 WeakPolarHBondContact ND1-CG2 3.4Å; H263-V267 WeakPolarHBondContact O-CB 3.31Å; H263-V267 PolarHBondContact O-N 3.42Å; H263-H268 AromaticContact CE1-NE2 3.82Å; H263-H268 AromaticContact NE2-CD2 3.53Å; H263-H268 AromaticContact NE2-NE2 3.42Å; H263-H268 PolarHBondContact NE2-NE2 3.19Å
264	S	72.7	Confident	73.5	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.007	38%	0.382	C	S	.	.	H	α-helix	trans	-64.3	-34.6	-179.2	75.2	0	0	0	0	112.6	L260 E261 H268 G269 I270 H272	L260-S264 VanDerWaalsContact O-CB 3.23Å; L260-S264 WeakPolarHBondContact O-CB 3.3Å; L260-S264 PolarHBondContact O-N 2.89Å; L260-S264 PolarHBondContact O-OG 2.96Å; E261-S264 WeakPolarHBondContact CA-OG 3.27Å; E261-S264 PolarHBondContact O-N 3.34Å; E261-S264 VanDerWaalsContact O-N 3.08Å; E261-S264 PolarHBondContact O-OG 3.45Å; S264-H268 CarbonylContact O-C 3.43Å; S264-H268 VanDerWaalsContact O-C 3.31Å; S264-H268 WeakPolarHBondContact O-CA 3.47Å; S264-H268 WeakPolarHBondContact O-CB 3.37Å; S264-H268 PolarHBondContact O-N 3.23Å; S264-G269 PolarHBondContact O-N 3.44Å; S264-I270 CarbonylContact C-O 3.56Å; S264-I270 WeakPolarHBondContact CB-O 3.39Å; S264-I270 PolarHBondContact O-N 3.27Å; S264-I270 VanDerWaalsContact O-O 3.12Å; S264-I270 PolarHBondContact OG-O 3.37Å; S264-H272 PolarHBondContact OG-N 3.29Å
265	E	79.2	Confident	71.9	Confident	98 Å²	98	66.5 Å²	66.5	46%	0.458	38%	0.383	S	S	.	.	H	α-helix	trans	-74.7	-43.3	172.4	-66.9	-160.9	108.1	0	0	112.5	E261 S262 H263 G269 K271	E261-E265 PolarHBondContact O-N 3.45Å; S262-E265 PolarHBondContact O-N 3.38Å; H263-E265 VanDerWaalsContact C-N 3.31Å; H263-E265 PolarHBondContact O-N 3.28Å; E265-G269 WeakPolarHBondContact O-CA 3.45Å; E265-G269 PolarHBondContact O-N 3.12Å; E265-K271 VanDerWaalsContact CD-CE 3.42Å; E265-K271 HydrophobicContact CG-CG 3.77Å; E265-K271 WeakPolarHBondContact OE1-CE 3.42Å; E265-K271 WeakPolarHBondContact OE1-CG 3.45Å; E265-K271 IonicContact OE1-NZ 2.62Å
266	S	77.3	Confident	70.9	Confident	91 Å²	91	63 Å²	63	64%	0.636	37%	0.365	S	S	*	.	H	α-helix	trans	-80.8	-32.2	-173.2	57.2	0	0	0	0	115.3	S262 H263	S262-S266 VanDerWaalsContact O-CB 3.3Å; S262-S266 WeakPolarHBondContact O-CB 3.41Å; S262-S266 PolarHBondContact O-N 3.4Å; S262-S266 PolarHBondContact O-OG 3.25Å; H263-S266 WeakPolarHBondContact CA-OG 3.28Å; H263-S266 PolarHBondContact O-N 3.27Å; H263-S266 PolarHBondContact O-OG 2.95Å
267	V	76.2	Confident	69.3	Low	89 Å²	89	63.6 Å²	63.6	54%	0.539	37%	0.373	S	S	.	.	H	α-helix	trans	-103.1	-28.8	-177.9	-177.3	0	0	0	0	112.1	H263	H263-V267 WeakPolarHBondContact ND1-CG2 3.4Å; H263-V267 WeakPolarHBondContact O-CB 3.31Å; H263-V267 PolarHBondContact O-N 3.42Å
268	H	76	Confident	67.6	Low	51 Å²	51	67.7 Å²	67.7	24%	0.236	38%	0.381	C	S	.	.	H	α-helix	trans	-121	-7.9	-174.6	-61.3	-61.1	0	0	0	115	C247 L249 C250 H263 S264 I270	C247-H268 VanDerWaalsContact SG-CD2 3.55Å; C247-H268 PolarHBondContact SG-NE2 2.94Å; L249-H268 HydrophobicContact CD1-CB 3.69Å; C250-H268 PolarHBondContact SG-NE2 2.9Å; C250-H268 VanDerWaalsContact SG-NE2 3.36Å; H263-H268 AromaticContact CE1-NE2 3.82Å; H263-H268 AromaticContact NE2-CD2 3.53Å; H263-H268 AromaticContact NE2-NE2 3.42Å; H263-H268 PolarHBondContact NE2-NE2 3.19Å; S264-H268 CarbonylContact O-C 3.43Å; S264-H268 VanDerWaalsContact O-C 3.31Å; S264-H268 WeakPolarHBondContact O-CA 3.47Å; S264-H268 WeakPolarHBondContact O-CB 3.37Å; S264-H268 PolarHBondContact O-N 3.23Å; H268-I270 WeakPolarHBondContact O-CG1 3.43Å; H268-I270 PolarHBondContact O-N 3.29Å
269	G	71.1	Confident	65.7	Low	67 Å²	67	64.5 Å²	64.5	69%	0.691	37%	0.369	S	S	*	.	S	Bend	trans	64.3	16.7	-178.9	0	0	0	0	0	114.9	S264 E265	S264-G269 PolarHBondContact O-N 3.44Å; E265-G269 WeakPolarHBondContact O-CA 3.45Å; E265-G269 PolarHBondContact O-N 3.12Å
270	I	63.2	Low	63.5	Low	79 Å²	79	64 Å²	64	41%	0.405	38%	0.375	S	S	.	.	S	Bend	trans	-133.7	117.7	-170.8	-64.6	160.3	0	0	0	109	L249 S264 H268 H272 I275	L249-I270 HydrophobicContact CD1-CD1 3.99Å; S264-I270 CarbonylContact C-O 3.56Å; S264-I270 WeakPolarHBondContact CB-O 3.39Å; S264-I270 PolarHBondContact O-N 3.27Å; S264-I270 VanDerWaalsContact O-O 3.12Å; S264-I270 PolarHBondContact OG-O 3.37Å; H268-I270 WeakPolarHBondContact O-CG1 3.43Å; H268-I270 PolarHBondContact O-N 3.29Å; I270-H272 PolarHBondContact O-N 3.09Å; I270-I275 HydrophobicContact CG2-CD1 4.32Å; I270-I275 HydrophobicContact CG2-CG1 4.27Å
271	K	69.6	Low	61.3	Low	106 Å²	106	71.5 Å²	71.5	46%	0.461	41%	0.41	S	S	.	.			trans	-59.1	125.7	174	-77.2	-166.4	170.6	-163.9	0	112.8	E261 E265 S273 A274	E261-K271 WeakPolarHBondContact OE1-CB 3.26Å; E265-K271 VanDerWaalsContact CD-CE 3.42Å; E265-K271 HydrophobicContact CG-CG 3.77Å; E265-K271 WeakPolarHBondContact OE1-CE 3.42Å; E265-K271 WeakPolarHBondContact OE1-CG 3.45Å; E265-K271 IonicContact OE1-NZ 2.62Å; K271-S273 PolarHBondContact O-N 2.89Å; K271-A274 HydrophobicContact CB-CB 4.42Å; K271-A274 VanDerWaalsContact O-CB 3.28Å; K271-A274 WeakPolarHBondContact O-CB 3.48Å; K271-A274 PolarHBondContact O-N 2.94Å
272	H	60	Low	59	Low	10 Å²	10	76.1 Å²	76.1	5%	0.046	44%	0.436	C	S	.	.	H	α-helix	trans	-62.6	-29.4	177.6	-143.2	-92.9	0	0	0	112.9	L260 E261 S264 I270 A274 I275 F276	L260-H272 WeakPolarHBondContact CD2-ND1 3.42Å; L260-H272 HydrophobicContact CG-CB 4.24Å; E261-H272 PolarHBondContact OE1-N 3.31Å; S264-H272 PolarHBondContact OG-N 3.29Å; I270-H272 PolarHBondContact O-N 3.09Å; H272-A274 PolarHBondContact O-N 3.22Å; H272-I275 WeakPolarHBondContact O-CB 3.41Å; H272-I275 PolarHBondContact O-N 2.86Å; H272-I275 VanDerWaalsContact O-N 3.09Å; H272-F276 AromaticContact ND1-CD2 3.74Å; H272-F276 AromaticContact ND1-CE2 3.86Å; H272-F276 PolarHBondContact O-N 3.02Å
273	S	60.4	Low	56.6	Low	59 Å²	59	77 Å²	77	41%	0.413	44%	0.442	S	S	.	.	H	α-helix	trans	-59.6	-29.8	170	55.2	0	0	0	0	113.3	E261 K271 A277	E261-S273 WeakPolarHBondContact OE1-CB 3.41Å; E261-S273 PolarHBondContact OE1-N 2.77Å; E261-S273 PolarHBondContact OE1-OG 3.02Å; K271-S273 PolarHBondContact O-N 2.89Å; S273-A277 WeakPolarHBondContact O-CB 3.42Å; S273-A277 PolarHBondContact O-N 2.74Å
274	A	55.6	Low	54	Low	46 Å²	46	84.2 Å²	84.2	38%	0.38	48%	0.48	S	S	.	.	H	α-helix	trans	-72.4	-29.4	175	0	0	0	0	0	112.6	K271 H272 Q278	K271-A274 HydrophobicContact CB-CB 4.42Å; K271-A274 VanDerWaalsContact O-CB 3.28Å; K271-A274 WeakPolarHBondContact O-CB 3.48Å; K271-A274 PolarHBondContact O-N 2.94Å; H272-A274 PolarHBondContact O-N 3.22Å; A274-Q278 WeakPolarHBondContact O-CG 3.38Å; A274-Q278 PolarHBondContact O-N 3.36Å
275	I	48.7	Very low	52.1	Low	33 Å²	33	89.4 Å²	89.4	17%	0.169	51%	0.514	C	S	.	.	H	α-helix	trans	-71.9	-49.2	174	-55.8	177.2	0	0	0	109.2	I270 H272 A277 Q278 I279	I270-I275 HydrophobicContact CG2-CD1 4.32Å; I270-I275 HydrophobicContact CG2-CG1 4.27Å; H272-I275 WeakPolarHBondContact O-CB 3.41Å; H272-I275 PolarHBondContact O-N 2.86Å; H272-I275 VanDerWaalsContact O-N 3.09Å; I275-A277 PolarHBondContact O-N 3.02Å; I275-Q278 PolarHBondContact O-N 2.8Å; I275-I279 HydrophobicContact CG2-CD1 4.11Å; I275-I279 WeakPolarHBondContact O-CG1 3.38Å; I275-I279 PolarHBondContact O-N 3.06Å
276	F	47.4	Very low	50.1	Low	92 Å²	92	90.3 Å²	90.3	40%	0.404	53%	0.528	S	S	.	.	H	α-helix	trans	-61	-40.8	175.1	-97.2	-88	0	0	0	112.8	M245 H272 Q278 I279 S280	M245-F276 HydrophobicContact CE-CE2 4.49Å; H272-F276 AromaticContact ND1-CD2 3.74Å; H272-F276 AromaticContact ND1-CE2 3.86Å; H272-F276 PolarHBondContact O-N 3.02Å; F276-Q278 PolarHBondContact O-N 2.91Å; F276-Q278 VanDerWaalsContact O-N 3.15Å; F276-I279 PolarHBondContact O-N 3.08Å; F276-S280 PolarHBondContact O-N 3.09Å; F276-S280 PolarHBondContact O-OG 3.4Å
277	A	43.6	Very low	47.7	Very low	53 Å²	53	92.3 Å²	92.3	44%	0.438	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-20.1	177.7	0	0	0	0	0	114	S273 I275 Q281	S273-A277 WeakPolarHBondContact O-CB 3.42Å; S273-A277 PolarHBondContact O-N 2.74Å; I275-A277 PolarHBondContact O-N 3.02Å; A277-Q281 PolarHBondContact O-NE2 3.34Å
278	Q	38.9	Very low	45.6	Very low	145 Å²	145	94.9 Å²	94.9	68%	0.678	56%	0.556	S	S	*	*	H	α-helix	trans	-85.9	-27.9	171.6	-68.3	175.8	21	0	0	112.4	A274 I275 F276	A274-Q278 WeakPolarHBondContact O-CG 3.38Å; A274-Q278 PolarHBondContact O-N 3.36Å; I275-Q278 PolarHBondContact O-N 2.8Å; F276-Q278 PolarHBondContact O-N 2.91Å; F276-Q278 VanDerWaalsContact O-N 3.15Å
279	I	38	Very low	43.5	Very low	98 Å²	98	98.3 Å²	98.3	50%	0.503	59%	0.586	S	S	.	*	H	α-helix	trans	-80.7	-42.3	178.3	-64.3	167	0	0	0	111.2	I275 F276 Q281 L282	I275-I279 HydrophobicContact CG2-CD1 4.11Å; I275-I279 WeakPolarHBondContact O-CG1 3.38Å; I275-I279 PolarHBondContact O-N 3.06Å; F276-I279 PolarHBondContact O-N 3.08Å; I279-Q281 PolarHBondContact O-N 3.1Å; I279-Q281 VanDerWaalsContact O-N 3.07Å; I279-L282 PolarHBondContact O-N 3.25Å
280	S	33.2	Very low	41.5	Very low	78 Å²	78	103.5 Å²	103.5	55%	0.545	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-67.8	-6.2	-177	-60.1	0	0	0	0	115	F276 L282	F276-S280 PolarHBondContact O-N 3.09Å; F276-S280 PolarHBondContact O-OG 3.4Å; S280-L282 PolarHBondContact O-N 2.68Å
281	Q	33.9	Very low	39.9	Very low	159 Å²	159	106.9 Å²	106.9	74%	0.743	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-78.8	4.6	174.7	-70.8	177.8	57.3	0	0	113.6	A277 I279	A277-Q281 PolarHBondContact O-NE2 3.34Å; I279-Q281 PolarHBondContact O-N 3.1Å; I279-Q281 VanDerWaalsContact O-N 3.07Å
282	L	29.9	Very low	38.2	Very low	153 Å²	153	108.2 Å²	108.2	80%	0.801	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-112.1	7.6	-171.5	-67.3	168.7	0	0	0	115.6	I279 S280	I279-L282 PolarHBondContact O-N 3.25Å; S280-L282 PolarHBondContact O-N 2.68Å
283	S	29.3	Very low	36.9	Very low	93 Å²	93	115.4 Å²	115.4	65%	0.65	66%	0.657	S	S	*	*			trans	-153.8	123.7	-175.5	58.5	0	0	0	0	115.7
284	L	29.8	Very low	35.4	Very low	168 Å²	168	117.9 Å²	117.9	88%	0.88	68%	0.675	S	S	*	*			trans	-172.4	163.8	168.9	-96.7	163.7	0	0	0	107.7
285	P	32.2	Very low	34.2	Very low	109 Å²	109	124.3 Å²	124.3	71%	0.708	70%	0.697	S	S	*	*			cis	-123.6	176.8	-15.8	35.9	-17.8	0	0	0	113.3
286	P	38.2	Very low	33.4	Very low	118 Å²	118	128 Å²	128	77%	0.766	73%	0.725	S	S	*	*			trans	-93.1	157.8	-178.1	36.3	-35.7	0	0	0	115.1
287	C	27.1	Very low	32.5	Very low	132 Å²	132	134.9 Å²	134.9	89%	0.892	75%	0.749	S	S	*	*			trans	-142.5	161.4	169.9	-78	0	0	0	0	112.8
288	T	31.3	Very low	31.7	Very low	143 Å²	143	139.5 Å²	139.5	88%	0.877	77%	0.766	S	S	*	*			trans	-128.5	149.1	-165.5	50.8	0	0	0	0	113.3
289	S	31.3	Very low	31.3	Very low	124 Å²	124	141.3 Å²	141.3	87%	0.867	78%	0.775	S	S	*	*			trans	-163.2	155.4	152.3	56.9	0	0	0	0	111.1
290	E	29.2	Very low	30.7	Very low	175 Å²	175	148.9 Å²	148.9	82%	0.818	80%	0.797	S	S	*	*			trans	-108	167.2	-169.3	-62	167.3	122.4	0	0	112.5
291	D	30.7	Very low	30.7	Very low	150 Å²	150	153.5 Å²	153.5	80%	0.802	81%	0.81	S	S	*	*			trans	58	145.9	164.1	-51.5	-30	0	0	0	118.7
292	D	33.4	Very low	30.6	Very low	134 Å²	134	151 Å²	151	72%	0.717	81%	0.81	S	S	*	*			cis	-151.3	-177	27	-150.5	-17.4	0	0	0	113.7
293	Q	33.1	Very low	30.8	Very low	161 Å²	161	152.8 Å²	152.8	75%	0.752	81%	0.814	S	S	*	*			trans	-70.9	160	-157.4	-65.3	151.2	74.6	0	0	120.7
294	S	29.3	Very low	31.4	Very low	112 Å²	112	154.9 Å²	154.9	78%	0.783	81%	0.814	S	S	*	*			trans	72.8	145.6	150.3	75.9	0	0	0	0	118.3
295	E	28.9	Very low	32.1	Very low	180 Å²	180	157.4 Å²	157.4	84%	0.841	81%	0.811	S	S	*	*			cis	-158	-171.4	-6.8	-128.3	179	178.8	0	0	111.3
296	S	32	Very low	33.1	Very low	110 Å²	110	155.4 Å²	155.4	77%	0.769	80%	0.797	S	S	*	*			trans	75	42.8	161.3	-58.8	0	0	0	0	120.9	N298	S296-N298 PolarHBondContact O-N 2.74Å
297	R	29.7	Very low	34.3	Very low	238 Å²	238	153.3 Å²	153.3	90%	0.898	78%	0.776	S	S	*	*				17.9	85.5	126.9	-169.1	-173.1	-161.9	159.1	4.4	118.2
298	N	26.6	Very low	36	Very low	149 Å²	149	151.4 Å²	151.4	80%	0.797	76%	0.761	S	S	*	*			trans	174.8	83.6	140.3	-93.8	-14.7	0	0	0	113.9	S296	S296-N298 PolarHBondContact O-N 2.74Å
299	Q	30	Very low	38	Very low	183 Å²	183	145 Å²	145	86%	0.855	72%	0.722	S	S	*	*			trans	177.1	118	149.1	-101	155.9	28.4	0	0	110.2
300	R	26.3	Very low	39.5	Very low	257 Å²	257	142.8 Å²	142.8	97%	0.97	72%	0.718	S	S	*	*			trans	-126.8	77.5	164.3	-77	-169.9	176.7	-168.3	-0.3	108.8
301	Q	32.1	Very low	41	Very low	176 Å²	176	141.2 Å²	141.2	82%	0.822	71%	0.709	S	S	*	*			trans	-67.8	146.3	166	-75.4	-177.3	-20.5	0	0	109.4	Q303	Q301-Q303 PolarHBondContact O-N 2.71Å
302	S	31.8	Very low	43	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	68%	0.682	S	S	*	*			trans	-67.4	128	-165.6	48.7	0	0	0	0	113	Q304	S302-Q304 PolarHBondContact O-N 3.38Å
303	Q	35.3	Very low	44.7	Very low	191 Å²	191	135.9 Å²	135.9	89%	0.893	69%	0.688	S	S	*	*			trans	-69	97.3	166.1	-70.5	177.1	-17.6	0	0	108.8	Q301 R305	Q301-Q303 PolarHBondContact O-N 2.71Å; Q303-R305 PolarHBondContact O-N 3.34Å
304	Q	41.5	Very low	46.4	Very low	137 Å²	137	130.9 Å²	130.9	64%	0.64	67%	0.666	S	S	*	*			trans	-64.3	117.8	171.7	-71.9	-176.2	-27.2	0	0	109.3	S302 T306 L317	S302-Q304 PolarHBondContact O-N 3.38Å; Q304-T306 PolarHBondContact O-N 2.74Å; Q304-T306 VanDerWaalsContact O-N 3.16Å; Q304-L317 HydrophobicContact CB-CD2 4.22Å
305	R	43.5	Very low	48.5	Very low	220 Å²	220	131.4 Å²	131.4	83%	0.83	66%	0.657	S	S	*	*			trans	-61.2	115.2	173.8	-74.3	-176.9	172	-172.7	-2.8	109.4	Q303	Q303-R305 PolarHBondContact O-N 3.34Å
306	T	54.2	Low	50.9	Low	67 Å²	67	124.9 Å²	124.9	41%	0.411	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-94.3	138.7	170.6	54.4	0	0	0	0	111	Q304 Q315 F316 L317	Q304-T306 PolarHBondContact O-N 2.74Å; Q304-T306 VanDerWaalsContact O-N 3.16Å; T306-Q315 PolarHBondContact OG1-OE1 3.39Å; T306-F316 CarbonylContact C-O 3.47Å; T306-F316 WeakPolarHBondContact CA-O 3.5Å; T306-L317 HydrophobicContact CG2-CD2 4.17Å
307	F	62.6	Low	52.5	Low	74 Å²	74	125.4 Å²	125.4	33%	0.325	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.3	117.4	177.4	-63.2	-90.4	0	0	0	108.8	F316 V319 L322	F307-F316 PolarHBondContact N-O 3.12Å; F307-F316 PolarHBondContact O-N 2.97Å; F307-V319 HydrophobicContact CD1-CG2 3.94Å; F307-V319 HydrophobicContact CE1-CG2 3.47Å; F307-V319 VanDerWaalsContact CE1-CG2 3.47Å; F307-V319 HydrophobicContact CE2-CG2 4.15Å; F307-V319 HydrophobicContact CG-CG2 4.46Å; F307-V319 HydrophobicContact CZ-CG2 3.59Å; F307-L322 HydrophobicContact CB-CB 4.16Å; F307-L322 HydrophobicContact CB-CD2 3.95Å
308	T	63.8	Low	54	Low	92 Å²	92	116.4 Å²	116.4	56%	0.564	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.9	144.6	179.2	34.8	0	0	0	0	112.4	Q315	T308-Q315 HydrophobicContact CG2-CG 3.94Å
309	C	73.7	Confident	55.8	Low	9 Å²	9	112.9 Å²	112.9	6%	0.061	58%	0.577	C	S	.	*	P	Polyproline II helix	trans	-65.2	131.1	166.3	171.8	0	0	0	0	111.1	F311 C312 D314 F316 L322 H325	C309-F311 VanDerWaalsContact C-N 3.28Å; C309-F311 PolarHBondContact O-N 3.48Å; C309-C312 CarbonylContact C-O 3.47Å; C309-C312 HydrophobicContact CB-CB 4.25Å; C309-C312 WeakPolarHBondContact CB-O 3.36Å; C309-C312 WeakPolarHBondContact CB-SG 3.41Å; C309-C312 WeakPolarHBondContact SG-CA 3.4Å; C309-C312 WeakPolarHBondContact SG-CB 3.41Å; C309-C312 PolarHBondContact SG-N 2.89Å; C309-C312 PolarHBondContact SG-O 3.5Å; C309-C312 CovalentContact SG-SG 2.05Å; C309-C312 PolarHBondContact SG-SG 2.96Å; C309-D314 HydrophobicContact CB-CB 4.4Å; C309-D314 WeakPolarHBondContact CB-O 3.23Å; C309-D314 PolarHBondContact N-O 3.41Å; C309-F316 HydrophobicContact CB-CE2 4.46Å; C309-L322 HydrophobicContact CB-CD1 4.38Å; C309-H325 PolarHBondContact SG-NE2 3.24Å
310	G	61.3	Low	57.2	Low	77 Å²	77	111.1 Å²	111.1	79%	0.794	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-14.8	176	0	0	0	0	0	114.4
311	F	61.2	Low	59.3	Low	142 Å²	142	99.7 Å²	99.7	62%	0.623	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	4.1	-173.8	-58.9	-82.2	0	0	0	113.2	C309 T326 H330	C309-F311 VanDerWaalsContact C-N 3.28Å; C309-F311 PolarHBondContact O-N 3.48Å; F311-T326 HydrophobicContact CD2-CG2 4.49Å; F311-T326 HydrophobicContact CE2-CG2 4.25Å; F311-H330 VanDerWaalsContact CB-ND1 3.31Å; F311-H330 WeakPolarHBondContact CB-ND1 3.3Å; F311-H330 HydrophobicContact CD2-CB 4.07Å; F311-H330 AromaticContact CD2-CG 3.88Å; F311-H330 HydrophobicContact CG-CB 4.36Å; F311-H330 AromaticContact CG-CG 3.93Å; F311-H330 AromaticContact CG-ND1 3.93Å; F311-H330 PolarHBondContact O-NE2 2.87Å
312	C	72.2	Confident	61.2	Low	36 Å²	36	93 Å²	93	24%	0.243	50%	0.498	C	S	.	.	S	Bend	trans	-172.7	169.4	-170.3	71.9	0	0	0	0	110.9	C309 D314 H325	C309-C312 CarbonylContact C-O 3.47Å; C309-C312 HydrophobicContact CB-CB 4.25Å; C309-C312 WeakPolarHBondContact CB-O 3.36Å; C309-C312 WeakPolarHBondContact CB-SG 3.41Å; C309-C312 WeakPolarHBondContact SG-CA 3.4Å; C309-C312 WeakPolarHBondContact SG-CB 3.41Å; C309-C312 PolarHBondContact SG-N 2.89Å; C309-C312 PolarHBondContact SG-O 3.5Å; C309-C312 CovalentContact SG-SG 2.05Å; C309-C312 PolarHBondContact SG-SG 2.96Å; C312-D314 PolarHBondContact O-N 3.17Å; C312-D314 PolarHBondContact SG-OD2 2.74Å; C312-D314 VanDerWaalsContact SG-OD2 3.36Å; C312-H325 PolarHBondContact SG-CE1 2.91Å; C312-H325 PolarHBondContact SG-NE2 2.87Å
313	T	68.9	Low	62.6	Low	136 Å²	136	93.1 Å²	93.1	83%	0.834	49%	0.487	S	S	*	.	S	Bend	trans	-91.2	12.5	-175.3	56.1	0	0	0	0	115.1
314	D	68.8	Low	63.9	Low	56 Å²	56	90.7 Å²	90.7	30%	0.299	47%	0.473	S	S	.	.			trans	-73.8	140.2	-179.3	-63	-51.5	0	0	0	111.7	C309 C312 F316 H325 K329	C309-D314 HydrophobicContact CB-CB 4.4Å; C309-D314 WeakPolarHBondContact CB-O 3.23Å; C309-D314 PolarHBondContact N-O 3.41Å; C312-D314 PolarHBondContact O-N 3.17Å; C312-D314 PolarHBondContact SG-OD2 2.74Å; C312-D314 VanDerWaalsContact SG-OD2 3.36Å; D314-F316 HydrophobicContact CB-CE2 3.62Å; D314-F316 HydrophobicContact CB-CZ 3.63Å; D314-H325 VanDerWaalsContact CG-CE1 3.41Å; D314-H325 IonicContact OD2-CE1 3.74Å; D314-H325 PolarHBondContact OD2-CE1 3.36Å; D314-H325 IonicContact OD2-ND1 2.74Å; D314-K329 IonicContact OD1-NZ 3.75Å; D314-K329 IonicContact OD2-NZ 3.57Å; D314-K329 PolarHBondContact OD2-NZ 3.43Å
315	Q	73.9	Confident	65.5	Low	124 Å²	124	85 Å²	85	58%	0.579	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.5	179.3	-66.2	-169.9	26.8	0	0	111.7	T306 T308	T306-Q315 PolarHBondContact OG1-OE1 3.39Å; T308-Q315 HydrophobicContact CG2-CG 3.94Å
316	F	79.1	Confident	66.3	Low	43 Å²	43	76.6 Å²	76.6	19%	0.189	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	139	-176	-61.4	-78.4	0	0	0	112.3	T306 F307 C309 D314 S318 L322 H325	T306-F316 CarbonylContact C-O 3.47Å; T306-F316 WeakPolarHBondContact CA-O 3.5Å; F307-F316 PolarHBondContact N-O 3.12Å; F307-F316 PolarHBondContact O-N 2.97Å; C309-F316 HydrophobicContact CB-CE2 4.46Å; D314-F316 HydrophobicContact CB-CE2 3.62Å; D314-F316 HydrophobicContact CB-CZ 3.63Å; F316-S318 PolarHBondContact O-N 3.33Å; F316-L322 HydrophobicContact CB-CB 4.24Å; F316-L322 HydrophobicContact CD2-CB 4.1Å; F316-L322 HydrophobicContact CD2-CD1 4.07Å; F316-L322 HydrophobicContact CE2-CD1 4.44Å; F316-L322 HydrophobicContact CG-CB 4.33Å; F316-H325 HydrophobicContact CD1-CB 4.47Å; F316-H325 HydrophobicContact CD2-CB 4.4Å; F316-H325 HydrophobicContact CE1-CB 3.76Å; F316-H325 HydrophobicContact CE2-CB 3.67Å; F316-H325 AromaticContact CE2-CD2 3.9Å; F316-H325 AromaticContact CE2-CG 3.51Å; F316-H325 AromaticContact CE2-ND1 3.9Å; F316-H325 HydrophobicContact CZ-CB 3.33Å; F316-H325 AromaticContact CZ-CG 3.28Å; F316-H325 AromaticContact CZ-ND1 3.33Å; F316-H325 VanDerWaalsContact CZ-ND1 3.33Å; F316-H325 WeakPolarHBondContact CZ-ND1 3.48Å
317	L	65.5	Low	66.4	Low	120 Å²	120	80 Å²	80	63%	0.628	44%	0.435	S	S	*	.	S	Bend	trans	-77.2	5.9	178.1	-66.9	166.7	0	0	0	113.8	Q304 T306	Q304-L317 HydrophobicContact CB-CD2 4.22Å; T306-L317 HydrophobicContact CG2-CD2 4.17Å
318	S	62.3	Low	66.1	Low	50 Å²	50	83 Å²	83	35%	0.35	45%	0.45	S	S	.	.	S	Bend	trans	-161.9	155.9	176.7	57.9	0	0	0	0	112	F316 F320 G321 L322	F316-S318 PolarHBondContact O-N 3.33Å; S318-F320 PolarHBondContact O-N 3.23Å; S318-G321 PolarHBondContact O-N 3.37Å; S318-G321 VanDerWaalsContact O-N 3.09Å; S318-G321 PolarHBondContact OG-N 3.23Å; S318-L322 PolarHBondContact O-N 3.23Å
319	V	63.2	Low	66.1	Low	75 Å²	75	84.3 Å²	84.3	46%	0.455	45%	0.447	S	S	.	.	H	α-helix	trans	-56.1	-39.7	169.9	-179.6	0	0	0	0	111.1	F307 G321 L322 Q323	F307-V319 HydrophobicContact CD1-CG2 3.94Å; F307-V319 HydrophobicContact CE1-CG2 3.47Å; F307-V319 VanDerWaalsContact CE1-CG2 3.47Å; F307-V319 HydrophobicContact CE2-CG2 4.15Å; F307-V319 HydrophobicContact CG-CG2 4.46Å; F307-V319 HydrophobicContact CZ-CG2 3.59Å; V319-G321 VanDerWaalsContact C-N 3.34Å; V319-G321 PolarHBondContact O-N 3.37Å; V319-L322 PolarHBondContact O-N 3.32Å; V319-Q323 HydrophobicContact CG1-CG 4.25Å; V319-Q323 WeakPolarHBondContact O-CB 3.27Å; V319-Q323 WeakPolarHBondContact O-CG 3.45Å; V319-Q323 PolarHBondContact O-N 2.91Å
320	F	60.3	Low	65.1	Low	146 Å²	146	87 Å²	87	64%	0.64	46%	0.459	S	S	*	.	H	α-helix	trans	-63.6	-38.1	176.1	-174.5	-103.5	0	0	0	112.5	S318 K324	S318-F320 PolarHBondContact O-N 3.23Å; F320-K324 HydrophobicContact CE1-CD 4.42Å; F320-K324 WeakPolarHBondContact O-CB 3.48Å; F320-K324 PolarHBondContact O-N 3.27Å
321	G	70.6	Confident	64.3	Low	17 Å²	17	87.1 Å²	87.1	18%	0.175	45%	0.448	C	S	.	.	H	α-helix	trans	-60.9	-46.6	171.7	0	0	0	0	0	112.2	S318 V319 H325	S318-G321 PolarHBondContact O-N 3.37Å; S318-G321 VanDerWaalsContact O-N 3.09Å; S318-G321 PolarHBondContact OG-N 3.23Å; V319-G321 VanDerWaalsContact C-N 3.34Å; V319-G321 PolarHBondContact O-N 3.37Å; G321-H325 WeakPolarHBondContact O-CB 3.41Å; G321-H325 PolarHBondContact O-N 3.31Å
322	L	72.2	Confident	63.4	Low	35 Å²	35	87.2 Å²	87.2	18%	0.183	45%	0.454	C	S	.	.	H	α-helix	trans	-63.9	-47.1	175.9	173.9	59.2	0	0	0	112.1	F307 C309 F316 S318 V319 K324 H325 T326	F307-L322 HydrophobicContact CB-CB 4.16Å; F307-L322 HydrophobicContact CB-CD2 3.95Å; C309-L322 HydrophobicContact CB-CD1 4.38Å; F316-L322 HydrophobicContact CB-CB 4.24Å; F316-L322 HydrophobicContact CD2-CB 4.1Å; F316-L322 HydrophobicContact CD2-CD1 4.07Å; F316-L322 HydrophobicContact CE2-CD1 4.44Å; F316-L322 HydrophobicContact CG-CB 4.33Å; S318-L322 PolarHBondContact O-N 3.23Å; V319-L322 PolarHBondContact O-N 3.32Å; L322-K324 PolarHBondContact O-N 3.27Å; L322-H325 WeakPolarHBondContact O-CB 3.4Å; L322-H325 PolarHBondContact O-N 2.79Å; L322-T326 PolarHBondContact O-N 2.66Å; L322-T326 PolarHBondContact O-OG1 3.2Å
323	Q	60.6	Low	61.9	Low	108 Å²	108	93.8 Å²	93.8	51%	0.505	48%	0.478	S	S	.	.	H	α-helix	trans	-59.5	-47.5	177	-77	176.1	-27.8	0	0	111.7	V319 H325 T326 L327	V319-Q323 HydrophobicContact CG1-CG 4.25Å; V319-Q323 WeakPolarHBondContact O-CB 3.27Å; V319-Q323 WeakPolarHBondContact O-CG 3.45Å; V319-Q323 PolarHBondContact O-N 2.91Å; Q323-H325 VanDerWaalsContact C-N 3.26Å; Q323-H325 PolarHBondContact O-N 3.43Å; Q323-T326 PolarHBondContact O-N 3.12Å; Q323-L327 WeakPolarHBondContact O-CB 3.42Å; Q323-L327 PolarHBondContact O-N 3.08Å
324	K	62.9	Low	60.1	Low	141 Å²	141	94.3 Å²	94.3	61%	0.613	48%	0.476	S	S	*	.	H	α-helix	trans	-61.5	-34.2	176.9	-178.6	174.9	-179.8	175.6	0	112.1	F320 L322 H328	F320-K324 HydrophobicContact CE1-CD 4.42Å; F320-K324 WeakPolarHBondContact O-CB 3.48Å; F320-K324 PolarHBondContact O-N 3.27Å; L322-K324 PolarHBondContact O-N 3.27Å; K324-H328 WeakPolarHBondContact O-CB 3.31Å
325	H	74.2	Confident	58.4	Low	17 Å²	17	99.1 Å²	99.1	8%	0.079	50%	0.501	C	S	.	.	H	α-helix	trans	-70	-49.8	171.5	167	90	0	0	0	112	C309 C312 D314 F316 G321 L322 Q323 L327 H328 K329 H330	C309-H325 PolarHBondContact SG-NE2 3.24Å; C312-H325 PolarHBondContact SG-CE1 2.91Å; C312-H325 PolarHBondContact SG-NE2 2.87Å; D314-H325 VanDerWaalsContact CG-CE1 3.41Å; D314-H325 IonicContact OD2-CE1 3.74Å; D314-H325 PolarHBondContact OD2-CE1 3.36Å; D314-H325 IonicContact OD2-ND1 2.74Å; F316-H325 HydrophobicContact CD1-CB 4.47Å; F316-H325 HydrophobicContact CD2-CB 4.4Å; F316-H325 HydrophobicContact CE1-CB 3.76Å; F316-H325 HydrophobicContact CE2-CB 3.67Å; F316-H325 AromaticContact CE2-CD2 3.9Å; F316-H325 AromaticContact CE2-CG 3.51Å; F316-H325 AromaticContact CE2-ND1 3.9Å; F316-H325 HydrophobicContact CZ-CB 3.33Å; F316-H325 AromaticContact CZ-CG 3.28Å; F316-H325 AromaticContact CZ-ND1 3.33Å; F316-H325 VanDerWaalsContact CZ-ND1 3.33Å; F316-H325 WeakPolarHBondContact CZ-ND1 3.48Å; G321-H325 WeakPolarHBondContact O-CB 3.41Å; G321-H325 PolarHBondContact O-N 3.31Å; L322-H325 WeakPolarHBondContact O-CB 3.4Å; L322-H325 PolarHBondContact O-N 2.79Å; Q323-H325 VanDerWaalsContact C-N 3.26Å; Q323-H325 PolarHBondContact O-N 3.43Å; H325-L327 PolarHBondContact O-N 3.36Å; H325-H328 CarbonylContact O-C 3.53Å; H325-H328 WeakPolarHBondContact O-CA 3.46Å; H325-H328 PolarHBondContact O-N 3.29Å; H325-K329 WeakPolarHBondContact CE1-CD 3.35Å; H325-K329 WeakPolarHBondContact CE1-CE 3.45Å; H325-K329 VanDerWaalsContact CE1-CG 3.46Å; H325-K329 WeakPolarHBondContact CE1-CG 3.25Å; H325-K329 PolarHBondContact CE1-NZ 2.96Å; H325-K329 PolarHBondContact O-N 3.3Å; H325-H330 AromaticContact CD2-CD2 3.93Å; H325-H330 AromaticContact NE2-CD2 2.82Å; H325-H330 PolarHBondContact NE2-CD2 3.35Å
326	T	59.9	Low	56.4	Low	43 Å²	43	102 Å²	102	26%	0.264	51%	0.514	S	S	.	.	H	α-helix	trans	-60.4	-48.2	-176.4	-59.9	0	0	0	0	110.9	F311 L322 Q323 H328 H330	F311-T326 HydrophobicContact CD2-CG2 4.49Å; F311-T326 HydrophobicContact CE2-CG2 4.25Å; L322-T326 PolarHBondContact O-N 2.66Å; L322-T326 PolarHBondContact O-OG1 3.2Å; Q323-T326 PolarHBondContact O-N 3.12Å; T326-H328 PolarHBondContact O-N 3.26Å; T326-H328 VanDerWaalsContact O-N 3.09Å; T326-H330 HydrophobicContact CG2-CB 4.34Å; T326-H330 CarbonylContact O-C 3.59Å; T326-H330 WeakPolarHBondContact O-CA 3.31Å; T326-H330 WeakPolarHBondContact O-CB 3.45Å; T326-H330 PolarHBondContact O-N 3.4Å
327	L	58	Low	54	Low	138 Å²	138	108 Å²	108	72%	0.723	55%	0.547	S	S	*	.	H	α-helix	trans	-59.8	-18.2	172.9	-86.3	157.5	0	0	0	114.6	Q323 H325	Q323-L327 WeakPolarHBondContact O-CB 3.42Å; Q323-L327 PolarHBondContact O-N 3.08Å; H325-L327 PolarHBondContact O-N 3.36Å
328	H	56.4	Low	52.2	Low	138 Å²	138	107.7 Å²	107.7	64%	0.639	55%	0.553	S	S	*	*	H	α-helix	trans	-111.4	-30.4	-170.5	-163.5	-90.9	0	0	0	114.8	K125 K324 H325 T326	K125-H328 WeakPolarHBondContact CD-NE2 3.3Å; K125-H328 PolarHBondContact NZ-NE2 3.22Å; K324-H328 WeakPolarHBondContact O-CB 3.31Å; H325-H328 CarbonylContact O-C 3.53Å; H325-H328 WeakPolarHBondContact O-CA 3.46Å; H325-H328 PolarHBondContact O-N 3.29Å; T326-H328 PolarHBondContact O-N 3.26Å; T326-H328 VanDerWaalsContact O-N 3.09Å
329	K	63.2	Low	50.5	Low	120 Å²	120	110.4 Å²	110.4	52%	0.522	58%	0.578	S	S	.	*	H	α-helix	trans	-99	-29.5	169.6	-73.5	-150.7	-159.6	168.7	0	113.9	D314 H325	D314-K329 IonicContact OD1-NZ 3.75Å; D314-K329 IonicContact OD2-NZ 3.57Å; D314-K329 PolarHBondContact OD2-NZ 3.43Å; H325-K329 WeakPolarHBondContact CE1-CD 3.35Å; H325-K329 WeakPolarHBondContact CE1-CE 3.45Å; H325-K329 VanDerWaalsContact CE1-CG 3.46Å; H325-K329 WeakPolarHBondContact CE1-CG 3.25Å; H325-K329 PolarHBondContact CE1-NZ 2.96Å; H325-K329 PolarHBondContact O-N 3.3Å
330	H	53	Low	48.8	Very low	64 Å²	64	111.6 Å²	111.6	30%	0.296	59%	0.59	S	S	.	*	S	Bend	trans	-115.3	84.1	-169.4	-56	-66.4	0	0	0	109.9	F311 H325 T326	F311-H330 VanDerWaalsContact CB-ND1 3.31Å; F311-H330 WeakPolarHBondContact CB-ND1 3.3Å; F311-H330 HydrophobicContact CD2-CB 4.07Å; F311-H330 AromaticContact CD2-CG 3.88Å; F311-H330 HydrophobicContact CG-CB 4.36Å; F311-H330 AromaticContact CG-CG 3.93Å; F311-H330 AromaticContact CG-ND1 3.93Å; F311-H330 PolarHBondContact O-NE2 2.87Å; H325-H330 AromaticContact CD2-CD2 3.93Å; H325-H330 AromaticContact NE2-CD2 2.82Å; H325-H330 PolarHBondContact NE2-CD2 3.35Å; T326-H330 HydrophobicContact CG2-CB 4.34Å; T326-H330 CarbonylContact O-C 3.59Å; T326-H330 WeakPolarHBondContact O-CA 3.31Å; T326-H330 WeakPolarHBondContact O-CB 3.45Å; T326-H330 PolarHBondContact O-N 3.4Å
331	S	44.5	Very low	47.5	Very low	81 Å²	81	112.4 Å²	112.4	57%	0.566	60%	0.601	S	S	*	*			trans	-63.6	139.9	-177.9	-166	0	0	0	0	111.4	K333	S331-K333 PolarHBondContact O-N 2.75Å
332	L	42.8	Very low	45.9	Very low	144 Å²	144	118.5 Å²	118.5	75%	0.754	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	46.1	-179.8	-68.6	161.9	0	0	0	113.6
333	K	39	Very low	44.4	Very low	173 Å²	173	121 Å²	121	75%	0.752	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	-10.7	-175.3	-82.4	-173.4	170.4	-178	0	115.2	S331	S331-K333 PolarHBondContact O-N 2.75Å
334	D	32.6	Very low	44.2	Very low	148 Å²	148	120.2 Å²	120.2	79%	0.791	65%	0.65	S	S	*	*			trans	-95.7	3.3	-173.7	-58.7	-43.8	0	0	0	114	Q336	D334-Q336 PolarHBondContact O-N 3.22Å
335	L	32.9	Very low	44.3	Very low	157 Å²	157	117.4 Å²	117.4	82%	0.822	64%	0.637	S	S	*	*			trans	-92.1	87.4	172.8	-81.4	151.9	0	0	0	110.8
336	Q	31.5	Very low	44.2	Very low	183 Å²	183	120.7 Å²	120.7	86%	0.855	66%	0.655	S	S	*	*			trans	-78.9	123.4	174.5	-61.6	173.8	-33.4	0	0	111.4	D334	D334-Q336 PolarHBondContact O-N 3.22Å
337	L	29.5	Very low	45.2	Very low	169 Å²	169	118.7 Å²	118.7	89%	0.885	64%	0.643	S	S	*	*			trans	-155.4	168.2	159.2	-97.3	169.1	0	0	0	108.2
338	P	25.7	Very low	45.6	Very low	115 Å²	115	119.7 Å²	119.7	75%	0.747	65%	0.648	S	S	*	*			trans	-96.2	165.8	-131.9	37.3	-39.8	0	0	0	116.4
339	A	27.8	Very low	46.2	Very low	106 Å²	106	118 Å²	118	88%	0.876	65%	0.647	S	S	*	*			trans	-92	114.4	-179.8	0	0	0	0	0	113.3
340	S	28	Very low	46.9	Very low	100 Å²	100	115 Å²	115	70%	0.699	64%	0.641	S	S	*	*			trans	-162.3	114.5	159.2	57.2	0	0	0	0	112.6
341	N	31.3	Very low	47.8	Very low	163 Å²	163	115.1 Å²	115.1	87%	0.872	66%	0.66	S	S	*	*	S	Bend	trans	62.6	173.4	166.3	-55.7	-19	0	0	0	117.1
342	D	38.1	Very low	49.1	Very low	146 Å²	146	118.6 Å²	118.6	78%	0.781	66%	0.661	S	S	*	*			trans	-60	140.6	-166	-65	-68.9	0	0	0	113.9	T344	D342-T344 PolarHBondContact O-N 3.49Å
343	P	41	Very low	50.5	Low	88 Å²	88	115.5 Å²	115.5	57%	0.571	65%	0.651	S	S	*	*			trans	-74.7	92.6	-177.3	30.8	-35.1	0	0	0	111.7	Y345	P343-Y345 HydrophobicContact CB-CE2 4.13Å; P343-Y345 HydrophobicContact CG-CE2 4.49Å; P343-Y345 WeakPolarHBondContact O-CD2 3.41Å; P343-Y345 WeakPolarHBondContact O-CE2 3.4Å
344	T	55.6	Low	52.4	Low	90 Å²	90	109.1 Å²	109.1	55%	0.552	62%	0.624	S	S	*	*			trans	-77	125.2	164.6	49.5	0	0	0	0	110.2	D342	D342-T344 PolarHBondContact O-N 3.49Å
345	Y	66.1	Low	54	Low	83 Å²	83	110.6 Å²	110.6	33%	0.325	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.6	103.8	175	-65.3	-83.1	0	0	0	108.8	P343 F354 S356 I357	P343-Y345 HydrophobicContact CB-CE2 4.13Å; P343-Y345 HydrophobicContact CG-CE2 4.49Å; P343-Y345 WeakPolarHBondContact O-CD2 3.41Å; P343-Y345 WeakPolarHBondContact O-CE2 3.4Å; Y345-F354 PolarHBondContact N-O 3.18Å; Y345-F354 WeakPolarHBondContact O-CB 3.21Å; Y345-F354 WeakPolarHBondContact O-CD2 3.23Å; Y345-F354 PolarHBondContact O-N 3.43Å; Y345-S356 VanDerWaalsContact CD2-C 3.44Å; Y345-S356 VanDerWaalsContact CD2-CA 3.49Å; Y345-I357 HydrophobicContact CD1-CG1 3.67Å; Y345-I357 HydrophobicContact CD2-CG1 4.46Å; Y345-I357 HydrophobicContact CE1-CD1 3.89Å; Y345-I357 HydrophobicContact CE1-CG1 3.29Å; Y345-I357 HydrophobicContact CE2-CG1 4.13Å; Y345-I357 HydrophobicContact CG-CG1 4.24Å
346	D	70.4	Confident	55.7	Low	86 Å²	86	105 Å²	105	46%	0.46	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85	151.4	-177.5	-59.9	-31.1	0	0	0	111.4	R352 S353	D346-R352 CarbonylContact C-O 3.59Å; D346-R352 WeakPolarHBondContact CA-O 3.34Å; D346-S353 WeakPolarHBondContact OD1-CA 3.31Å; D346-S353 WeakPolarHBondContact OD1-CB 2.98Å
347	C	82.2	Confident	57.4	Low	1 Å²	1	101.4 Å²	101.4	1%	0.007	59%	0.585	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.4	114	176.7	-177.4	0	0	0	0	111.5	V349 C350 G351 R352 F354 L360 H363 H368	C347-V349 PolarHBondContact O-N 3.13Å; C347-V349 VanDerWaalsContact O-N 3.09Å; C347-C350 PolarHBondContact O-N 2.99Å; C347-C350 VanDerWaalsContact O-N 3.09Å; C347-G351 WeakPolarHBondContact O-CA 3.37Å; C347-G351 PolarHBondContact O-N 3.39Å; C347-R352 PolarHBondContact N-O 3.08Å; C347-F354 HydrophobicContact CB-CE2 4.01Å; C347-L360 HydrophobicContact CB-CD1 3.48Å; C347-L360 VanDerWaalsContact CB-CD1 3.48Å; C347-H363 PolarHBondContact SG-CD2 2.85Å; C347-H363 PolarHBondContact SG-NE2 3.22Å; C347-H363 VanDerWaalsContact SG-NE2 3.43Å; C347-H368 VanDerWaalsContact SG-CD2 3.53Å; C347-H368 PolarHBondContact SG-NE2 2.78Å
348	D	65.7	Low	59.1	Low	158 Å²	158	100.3 Å²	100.3	85%	0.845	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-29.2	-174.6	-48.9	-64	0	0	0	113.7
349	V	69.9	Low	61.2	Low	102 Å²	102	96.1 Å²	96.1	62%	0.618	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	-16.7	-176.8	-167	0	0	0	0	113.1	C347 H368	C347-V349 PolarHBondContact O-N 3.13Å; C347-V349 VanDerWaalsContact O-N 3.09Å; V349-H368 HydrophobicContact CG1-CB 4.24Å; V349-H368 WeakPolarHBondContact CG1-ND1 3.43Å; V349-H368 HydrophobicContact CG2-CB 4.49Å
350	C	77.1	Confident	63.5	Low	57 Å²	57	92.3 Å²	92.3	39%	0.385	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	10.4	177	78.9	0	0	0	0	117.5	C347 R352 H363	C347-C350 PolarHBondContact O-N 2.99Å; C347-C350 VanDerWaalsContact O-N 3.09Å; C350-R352 VanDerWaalsContact C-N 3.28Å; C350-R352 PolarHBondContact O-N 3.29Å; C350-H363 VanDerWaalsContact SG-CE1 3.53Å; C350-H363 PolarHBondContact SG-NE2 3.35Å
351	G	72.9	Confident	65.4	Low	68 Å²	68	93.4 Å²	93.4	70%	0.701	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	21.5	174.3	0	0	0	0	0	115.6	C347	C347-G351 WeakPolarHBondContact O-CA 3.37Å; C347-G351 PolarHBondContact O-N 3.39Å
352	R	71.3	Confident	67.2	Low	154 Å²	154	89.2 Å²	89.2	58%	0.581	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.4	177.8	-74.6	-174.3	-177.5	-160.9	7.5	111.8	D346 C347 C350 F354	D346-R352 CarbonylContact C-O 3.59Å; D346-R352 WeakPolarHBondContact CA-O 3.34Å; C347-R352 PolarHBondContact N-O 3.08Å; C350-R352 VanDerWaalsContact C-N 3.28Å; C350-R352 PolarHBondContact O-N 3.29Å; R352-F354 HydrophobicContact CB-CE2 3.57Å; R352-F354 HydrophobicContact CB-CZ 3.78Å; R352-F354 VanDerWaalsContact O-CD2 3.27Å; R352-F354 WeakPolarHBondContact O-CD2 3.38Å; R352-F354 WeakPolarHBondContact O-CE2 3.25Å
353	S	72.9	Confident	68.9	Low	78 Å²	78	83.1 Å²	83.1	55%	0.545	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.9	175.1	55.2	0	0	0	0	112.8	D346	D346-S353 WeakPolarHBondContact OD1-CA 3.31Å; D346-S353 WeakPolarHBondContact OD1-CB 2.98Å
354	F	78.4	Confident	70.3	Confident	40 Å²	40	81.6 Å²	81.6	18%	0.175	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145	-178.7	-64.8	-83.3	0	0	0	112.1	Y345 C347 R352 S356 A359 L360 H363	Y345-F354 PolarHBondContact N-O 3.18Å; Y345-F354 WeakPolarHBondContact O-CB 3.21Å; Y345-F354 WeakPolarHBondContact O-CD2 3.23Å; Y345-F354 PolarHBondContact O-N 3.43Å; C347-F354 HydrophobicContact CB-CE2 4.01Å; R352-F354 HydrophobicContact CB-CE2 3.57Å; R352-F354 HydrophobicContact CB-CZ 3.78Å; R352-F354 VanDerWaalsContact O-CD2 3.27Å; R352-F354 WeakPolarHBondContact O-CD2 3.38Å; R352-F354 WeakPolarHBondContact O-CE2 3.25Å; F354-S356 PolarHBondContact O-N 3.36Å; F354-A359 HydrophobicContact CB-CB 4.04Å; F354-A359 HydrophobicContact CD1-CB 3.97Å; F354-A359 HydrophobicContact CG-CB 4.38Å; F354-L360 HydrophobicContact CB-CB 4.18Å; F354-L360 HydrophobicContact CD2-CB 4.14Å; F354-L360 HydrophobicContact CD2-CD1 3.89Å; F354-L360 HydrophobicContact CE2-CD1 4.24Å; F354-L360 HydrophobicContact CG-CB 4.29Å; F354-H363 HydrophobicContact CE1-CB 3.71Å; F354-H363 HydrophobicContact CE2-CB 3.92Å; F354-H363 AromaticContact CE2-CD2 3.24Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.26Å; F354-H363 AromaticContact CE2-CG 3.65Å; F354-H363 AromaticContact CE2-NE2 3.99Å; F354-H363 HydrophobicContact CZ-CB 3.38Å; F354-H363 AromaticContact CZ-CD2 3.28Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.29Å; F354-H363 AromaticContact CZ-CG 3.19Å; F354-H363 AromaticContact CZ-ND1 3.85Å; F354-H363 AromaticContact CZ-NE2 3.96Å
355	E	65.4	Low	70.8	Confident	179 Å²	179	79.8 Å²	79.8	84%	0.836	44%	0.44	S	S	*	.	S	Bend	trans	-74.6	-6	-179.3	63.6	-176.7	-179.7	0	0	114.5
356	S	68.2	Low	70.7	Confident	40 Å²	40	80.8 Å²	80.8	28%	0.28	46%	0.455	S	S	.	.	S	Bend	trans	-161.1	156.9	176.1	65.5	0	0	0	0	112.5	Y345 F354 L358 A359 L360	Y345-S356 VanDerWaalsContact CD2-C 3.44Å; Y345-S356 VanDerWaalsContact CD2-CA 3.49Å; F354-S356 PolarHBondContact O-N 3.36Å; S356-L358 PolarHBondContact O-N 3.29Å; S356-A359 PolarHBondContact O-N 3.09Å; S356-A359 VanDerWaalsContact O-N 3.09Å; S356-A359 PolarHBondContact OG-N 2.76Å; S356-A359 VanDerWaalsContact OG-N 3.16Å; S356-L360 PolarHBondContact O-N 3.35Å
357	I	68.6	Low	70.5	Confident	107 Å²	107	78.8 Å²	78.8	55%	0.549	45%	0.45	S	S	.	.	H	α-helix	trans	-52.7	-35.6	168.9	-57.7	175.6	0	0	0	111.1	Y345 L360 H361	Y345-I357 HydrophobicContact CD1-CG1 3.67Å; Y345-I357 HydrophobicContact CD2-CG1 4.46Å; Y345-I357 HydrophobicContact CE1-CD1 3.89Å; Y345-I357 HydrophobicContact CE1-CG1 3.29Å; Y345-I357 HydrophobicContact CE2-CG1 4.13Å; Y345-I357 HydrophobicContact CG-CG1 4.24Å; I357-L360 PolarHBondContact O-N 3.07Å; I357-H361 VanDerWaalsContact O-CB 3.24Å; I357-H361 WeakPolarHBondContact O-CB 2.91Å; I357-H361 PolarHBondContact O-N 3.35Å
358	L	63.5	Low	69.8	Low	145 Å²	145	80.9 Å²	80.9	76%	0.759	46%	0.46	S	S	*	.	H	α-helix	trans	-69.5	-37	-179	-153.5	75.8	0	0	0	112.1	S356 C362	S356-L358 PolarHBondContact O-N 3.29Å; L358-C362 VanDerWaalsContact O-CB 3.26Å; L358-C362 WeakPolarHBondContact O-CB 3.01Å; L358-C362 PolarHBondContact O-N 3.26Å
359	A	70.2	Confident	69	Low	28 Å²	28	79.1 Å²	79.1	23%	0.231	45%	0.45	C	S	.	.	H	α-helix	trans	-71.8	-40.2	174.4	0	0	0	0	0	111.9	F354 S356 C362 H363	F354-A359 HydrophobicContact CB-CB 4.04Å; F354-A359 HydrophobicContact CD1-CB 3.97Å; F354-A359 HydrophobicContact CG-CB 4.38Å; S356-A359 PolarHBondContact O-N 3.09Å; S356-A359 VanDerWaalsContact O-N 3.09Å; S356-A359 PolarHBondContact OG-N 2.76Å; S356-A359 VanDerWaalsContact OG-N 3.16Å; A359-C362 PolarHBondContact O-N 3.43Å; A359-H363 WeakPolarHBondContact O-CB 3.26Å; A359-H363 PolarHBondContact O-N 3.41Å
360	L	75.9	Confident	67.3	Low	26 Å²	26	78.7 Å²	78.7	14%	0.136	45%	0.452	C	S	.	.	H	α-helix	trans	-60.8	-48.3	171.5	173.4	60.2	0	0	0	111.7	C347 F354 S356 I357 C362 H363 I364	C347-L360 HydrophobicContact CB-CD1 3.48Å; C347-L360 VanDerWaalsContact CB-CD1 3.48Å; F354-L360 HydrophobicContact CB-CB 4.18Å; F354-L360 HydrophobicContact CD2-CB 4.14Å; F354-L360 HydrophobicContact CD2-CD1 3.89Å; F354-L360 HydrophobicContact CE2-CD1 4.24Å; F354-L360 HydrophobicContact CG-CB 4.29Å; S356-L360 PolarHBondContact O-N 3.35Å; I357-L360 PolarHBondContact O-N 3.07Å; L360-C362 PolarHBondContact O-N 2.84Å; L360-H363 WeakPolarHBondContact O-CB 3.11Å; L360-H363 PolarHBondContact O-N 2.76Å; L360-H363 VanDerWaalsContact O-N 3.16Å; L360-I364 HydrophobicContact CD1-CD1 3.81Å; L360-I364 HydrophobicContact CD1-CG1 4.07Å; L360-I364 HydrophobicContact CG-CD1 3.86Å; L360-I364 WeakPolarHBondContact O-CG1 3.49Å; L360-I364 PolarHBondContact O-N 3.44Å
361	H	69.7	Low	65.1	Low	122 Å²	122	80.2 Å²	80.2	57%	0.565	47%	0.469	S	S	*	.	H	α-helix	trans	-63.8	-40.4	179.7	-173	-74.8	0	0	0	112	I357 H363 I364 S365	I357-H361 VanDerWaalsContact O-CB 3.24Å; I357-H361 WeakPolarHBondContact O-CB 2.91Å; I357-H361 PolarHBondContact O-N 3.35Å; H361-H363 VanDerWaalsContact C-N 3.35Å; H361-I364 PolarHBondContact O-N 2.93Å; H361-S365 PolarHBondContact ND1-OG 2.81Å; H361-S365 VanDerWaalsContact O-CB 3.31Å; H361-S365 WeakPolarHBondContact O-CB 3.26Å; H361-S365 PolarHBondContact O-N 2.63Å; H361-S365 PolarHBondContact O-OG 3.46Å
362	C	67.9	Low	63.2	Low	75 Å²	75	81.9 Å²	81.9	51%	0.507	48%	0.476	S	S	.	.	H	α-helix	trans	-58.9	-47.8	172	-171.3	0	0	0	0	110.6	L358 A359 L360 S365 T366	L358-C362 VanDerWaalsContact O-CB 3.26Å; L358-C362 WeakPolarHBondContact O-CB 3.01Å; L358-C362 PolarHBondContact O-N 3.26Å; A359-C362 PolarHBondContact O-N 3.43Å; L360-C362 PolarHBondContact O-N 2.84Å; C362-S365 PolarHBondContact O-N 3.44Å; C362-T366 WeakPolarHBondContact O-CG2 3.37Å; C362-T366 PolarHBondContact O-N 3.17Å; C362-T366 PolarHBondContact O-OG1 3.35Å
363	H	73.8	Confident	61.2	Low	19 Å²	19	81.1 Å²	81.1	9%	0.088	49%	0.488	C	S	.	.	H	α-helix	trans	-60.8	-47.3	177.5	168.4	58.1	0	0	0	113.4	C347 C350 F354 A359 L360 H361 S365 T366 A367 H368	C347-H363 PolarHBondContact SG-CD2 2.85Å; C347-H363 PolarHBondContact SG-NE2 3.22Å; C347-H363 VanDerWaalsContact SG-NE2 3.43Å; C350-H363 VanDerWaalsContact SG-CE1 3.53Å; C350-H363 PolarHBondContact SG-NE2 3.35Å; F354-H363 HydrophobicContact CE1-CB 3.71Å; F354-H363 HydrophobicContact CE2-CB 3.92Å; F354-H363 AromaticContact CE2-CD2 3.24Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.26Å; F354-H363 AromaticContact CE2-CG 3.65Å; F354-H363 AromaticContact CE2-NE2 3.99Å; F354-H363 HydrophobicContact CZ-CB 3.38Å; F354-H363 AromaticContact CZ-CD2 3.28Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.29Å; F354-H363 AromaticContact CZ-CG 3.19Å; F354-H363 AromaticContact CZ-ND1 3.85Å; F354-H363 AromaticContact CZ-NE2 3.96Å; A359-H363 WeakPolarHBondContact O-CB 3.26Å; A359-H363 PolarHBondContact O-N 3.41Å; L360-H363 WeakPolarHBondContact O-CB 3.11Å; L360-H363 PolarHBondContact O-N 2.76Å; L360-H363 VanDerWaalsContact O-N 3.16Å; H361-H363 VanDerWaalsContact C-N 3.35Å; H363-S365 VanDerWaalsContact C-N 3.29Å; H363-S365 PolarHBondContact O-N 3.34Å; H363-T366 PolarHBondContact O-N 3.32Å; H363-T366 VanDerWaalsContact O-N 3.15Å; H363-T366 PolarHBondContact O-OG1 2.73Å; H363-A367 WeakPolarHBondContact CE1-CB 3.49Å; H363-A367 WeakPolarHBondContact ND1-CB 3.48Å; H363-A367 VanDerWaalsContact O-CB 3.25Å; H363-A367 WeakPolarHBondContact O-CB 3.14Å; H363-A367 PolarHBondContact O-N 3.36Å; H363-H368 AromaticContact CD2-NE2 3.82Å; H363-H368 AromaticContact CE1-CE1 3.92Å; H363-H368 AromaticContact CE1-NE2 3.41Å; H363-H368 PolarHBondContact CE1-NE2 3.11Å; H363-H368 AromaticContact NE2-CD2 3.95Å; H363-H368 AromaticContact NE2-CE1 3.85Å; H363-H368 AromaticContact NE2-NE2 3Å; H363-H368 PolarHBondContact NE2-NE2 2.83Å
364	I	70.6	Confident	59.1	Low	56 Å²	56	85.3 Å²	85.3	29%	0.287	50%	0.504	S	S	.	.	H	α-helix	trans	-57.3	-46.1	176.1	-66.7	165.4	0	0	0	110.3	L360 H361 T366 H368 N369	L360-I364 HydrophobicContact CD1-CD1 3.81Å; L360-I364 HydrophobicContact CD1-CG1 4.07Å; L360-I364 HydrophobicContact CG-CD1 3.86Å; L360-I364 WeakPolarHBondContact O-CG1 3.49Å; L360-I364 PolarHBondContact O-N 3.44Å; H361-I364 PolarHBondContact O-N 2.93Å; I364-T366 PolarHBondContact O-N 2.83Å; I364-H368 PolarHBondContact O-N 3.3Å; I364-N369 PolarHBondContact O-N 3.44Å; I364-N369 VanDerWaalsContact O-N 3.14Å
365	S	65.4	Low	56.7	Low	52 Å²	52	86.6 Å²	86.6	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-20.9	179.9	-54.7	0	0	0	0	114.3	H361 C362 H363	H361-S365 PolarHBondContact ND1-OG 2.81Å; H361-S365 VanDerWaalsContact O-CB 3.31Å; H361-S365 WeakPolarHBondContact O-CB 3.26Å; H361-S365 PolarHBondContact O-N 2.63Å; H361-S365 PolarHBondContact O-OG 3.46Å; C362-S365 PolarHBondContact O-N 3.44Å; H363-S365 VanDerWaalsContact C-N 3.29Å; H363-S365 PolarHBondContact O-N 3.34Å
366	T	65.1	Low	55.1	Low	103 Å²	103	89 Å²	89	63%	0.632	53%	0.53	S	S	*	.	H	α-helix	trans	-115.8	-11.9	-176	61	0	0	0	0	115.4	C362 H363 I364	C362-T366 WeakPolarHBondContact O-CG2 3.37Å; C362-T366 PolarHBondContact O-N 3.17Å; C362-T366 PolarHBondContact O-OG1 3.35Å; H363-T366 PolarHBondContact O-N 3.32Å; H363-T366 VanDerWaalsContact O-N 3.15Å; H363-T366 PolarHBondContact O-OG1 2.73Å; I364-T366 PolarHBondContact O-N 2.83Å
367	A	66.3	Low	53.3	Low	44 Å²	44	92.8 Å²	92.8	36%	0.364	54%	0.544	S	S	.	.	H	α-helix	trans	-117.9	-24.9	-177.2	0	0	0	0	0	113.9	H363	H363-A367 WeakPolarHBondContact CE1-CB 3.49Å; H363-A367 WeakPolarHBondContact ND1-CB 3.48Å; H363-A367 VanDerWaalsContact O-CB 3.25Å; H363-A367 WeakPolarHBondContact O-CB 3.14Å; H363-A367 PolarHBondContact O-N 3.36Å
368	H	67.2	Low	51.3	Low	46 Å²	46	90 Å²	90	21%	0.213	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-32.4	-172.5	-51.1	-45.7	0	0	0	112.7	C347 V349 H363 I364 S370	C347-H368 VanDerWaalsContact SG-CD2 3.53Å; C347-H368 PolarHBondContact SG-NE2 2.78Å; V349-H368 HydrophobicContact CG1-CB 4.24Å; V349-H368 WeakPolarHBondContact CG1-ND1 3.43Å; V349-H368 HydrophobicContact CG2-CB 4.49Å; H363-H368 AromaticContact CD2-NE2 3.82Å; H363-H368 AromaticContact CE1-CE1 3.92Å; H363-H368 AromaticContact CE1-NE2 3.41Å; H363-H368 PolarHBondContact CE1-NE2 3.11Å; H363-H368 AromaticContact NE2-CD2 3.95Å; H363-H368 AromaticContact NE2-CE1 3.85Å; H363-H368 AromaticContact NE2-NE2 3Å; H363-H368 PolarHBondContact NE2-NE2 2.83Å; I364-H368 PolarHBondContact O-N 3.3Å; H368-S370 PolarHBondContact O-N 3.3Å
369	N	48.9	Very low	49.7	Very low	120 Å²	120	84.3 Å²	84.3	64%	0.642	51%	0.506	S	S	*	.	S	Bend	trans	-75.6	40.5	173.4	-69.4	-0.3	0	0	0	113.3	I364	I364-N369 PolarHBondContact O-N 3.44Å; I364-N369 VanDerWaalsContact O-N 3.14Å
370	S	34.3	Very low	47.9	Very low	94 Å²	94	89.5 Å²	89.5	66%	0.657	52%	0.524	S	S	*	.			trans	-137.5	53.3	179.8	63	0	0	0	0	111.3	H368	H368-S370 PolarHBondContact O-N 3.3Å
371	A	30.4	Very low	45.8	Very low	88 Å²	88	93.4 Å²	93.4	73%	0.727	55%	0.545	S	S	*	.			trans	-148.3	162.6	173.1	0	0	0	0	0	109.9
372	A	32.8	Very low	44	Very low	103 Å²	103	95.4 Å²	95.4	85%	0.851	56%	0.555	S	S	*	*			trans	61.8	67.5	176.5	0	0	0	0	0	116.5
373	V	29.3	Very low	42.3	Very low	139 Å²	139	95.7 Å²	95.7	84%	0.842	56%	0.562	S	S	*	*			trans	-87.5	113.4	134.8	173.4	0	0	0	0	106.1
374	D	29.2	Very low	40.2	Very low	165 Å²	165	99.3 Å²	99.3	88%	0.882	60%	0.595	S	S	*	*			trans	176.6	134	151.5	-98.1	-28.5	0	0	0	113
375	G	28.7	Very low	38.1	Very low	67 Å²	67	105.1 Å²	105.1	69%	0.691	62%	0.621	S	S	*	*			trans	96.4	100.1	142.1	0	0	0	0	0	121.7
376	R	31.4	Very low	36.4	Very low	231 Å²	231	108.4 Å²	108.4	87%	0.872	64%	0.639	S	S	*	*			trans	68.8	120.5	146.6	-59.3	169.7	-177	159.1	1.9	116.9
377	Q	29.3	Very low	34.7	Very low	119 Å²	119	111.2 Å²	111.2	56%	0.556	65%	0.651	S	S	*	*				60.5	128.3	67.2	-62.4	-173.3	-25.9	0	0	113.1	N219	N219-Q377 PolarHBondContact OD1-NE2 3.01Å
378	N	27.8	Very low	33.4	Very low	48 Å²	48	114.3 Å²	114.3	26%	0.257	67%	0.667	S	S	.	*			cis	-158.9	-174.8	4.6	-108.1	23.3	0	0	0	109.8	S222 S223 C224	S222-N378 VanDerWaalsContact C-CG 3.49Å; S222-N378 WeakPolarHBondContact CA-OD1 3.45Å; S222-N378 WeakPolarHBondContact CB-OD1 3.46Å; S222-N378 WeakPolarHBondContact OG-CA 3.34Å; S222-N378 PolarHBondContact OG-OD1 3.02Å; S223-N378 VanDerWaalsContact C-CB 3.43Å; S223-N378 PolarHBondContact N-ND2 3.4Å; S223-N378 WeakPolarHBondContact O-CB 3.39Å; S223-N378 PolarHBondContact O-ND2 2.89Å; C224-N378 HydrophobicContact CB-CB 3.77Å; C224-N378 PolarHBondContact SG-O 3.3Å
379	G	30.8	Very low	31.5	Very low	26 Å²	26	117 Å²	117	27%	0.268	69%	0.691	S	S	.	*			trans	-152.6	-127.3	-170.4	0	0	0	0	0	119.4	S222 S223 C224	S222-G379 VanDerWaalsContact O-CA 3.3Å; S222-G379 WeakPolarHBondContact O-CA 3.4Å; S222-G379 PolarHBondContact O-N 3.13Å; S223-G379 CarbonylContact C-O 3.53Å; S223-G379 VanDerWaalsContact CA-N 3.35Å; S223-G379 WeakPolarHBondContact CA-O 3.34Å; C224-G379 VanDerWaalsContact N-N 3.16Å; C224-G379 PolarHBondContact N-O 2.86Å
380	F	31.7	Very low	30.5	Very low	136 Å²	136	117 Å²	117	60%	0.596	70%	0.695	S	S	*	*			trans	65.4	165.6	171.6	-75.4	-130.4	0	0	0	116.7	I221 S222 S223	I221-F380 HydrophobicContact CG2-CE1 4.21Å; I221-F380 HydrophobicContact CG2-CE2 4.24Å; I221-F380 HydrophobicContact CG2-CZ 3.76Å; S222-F380 WeakPolarHBondContact O-CD2 3.4Å; S222-F380 WeakPolarHBondContact O-CE2 3.5Å; S223-F380 VanDerWaalsContact OG-CD1 3.25Å; S223-F380 WeakPolarHBondContact OG-CD1 3.36Å; S223-F380 VanDerWaalsContact OG-CD2 3.28Å; S223-F380 WeakPolarHBondContact OG-CD2 3.46Å; S223-F380 WeakPolarHBondContact OG-CG 3.37Å
381	D	31.8	Very low	30.2	Very low	108 Å²	108	117.6 Å²	117.6	58%	0.578	70%	0.699	S	S	*	*			cis	-155.6	163.4	6	-142.8	-18.2	0	0	0	116
382	Q	32	Very low	30.1	Very low	165 Å²	165	120.8 Å²	120.8	77%	0.771	70%	0.704	S	S	*	*			trans	47.2	164.8	144.4	-90.1	169.7	83.8	0	0	123
383	A	31.4	Very low	30.1	Very low	80 Å²	80	123 Å²	123	66%	0.661	70%	0.7	S	S	*	*			cis	-146	149.2	-2.3	0	0	0	0	0	109.9
384	A	30.7	Very low	30.1	Very low	96 Å²	96	121.2 Å²	121.2	79%	0.793	69%	0.694	S	S	*	*				70.5	152.4	94.6	0	0	0	0	0	115.7
385	E	26.9	Very low	30.3	Very low	177 Å²	177	117.9 Å²	117.9	83%	0.827	69%	0.689	S	S	*	*			cis	-151.5	-174.7	15.5	-73.7	-166.6	125.2	0	0	113.6
386	T	29.7	Very low	30.3	Very low	121 Å²	121	121.4 Å²	121.4	74%	0.742	69%	0.692	S	S	*	*			trans	91.7	90.4	152	65.3	0	0	0	0	123.7
387	N	27.6	Very low	30.5	Very low	163 Å²	163	119.4 Å²	119.4	87%	0.872	70%	0.695	S	S	*	*				59.1	161.7	111.8	-82.7	-21.5	0	0	0	124.6
388	P	40	Very low	30.5	Very low	108 Å²	108	119 Å²	119	70%	0.701	70%	0.701	S	S	*	*			trans	-120.5	178.4	-147.2	44.6	-36.5	0	0	0	116.9
389	S	27.8	Very low	30.6	Very low	104 Å²	104	126 Å²	126	73%	0.727	73%	0.729	S	S	*	*			trans	177.1	144.3	130.1	-82.6	0	0	0	0	117.9
390	T	27.2	Very low	30.5	Very low	118 Å²	118	130.6 Å²	130.6	72%	0.724	76%	0.757	S	S	*	*			trans	55.3	124.5	142.3	57.2	0	0	0	0	125.5
391	S	28.5	Very low	30.6	Very low	107 Å²	107	128.6 Å²	128.6	75%	0.748	77%	0.765	S	S	*	*				68.7	145.3	129.2	-51.1	0	0	0	0	119.9
392	L	28.1	Very low	31.1	Very low	156 Å²	156	126.8 Å²	126.8	82%	0.817	76%	0.762	S	S	*	*			cis	-148.6	-164.9	33.8	-74.8	168.2	0	0	0	111
393	L	32.1	Very low	32.3	Very low	149 Å²	149	123.5 Å²	123.5	78%	0.78	75%	0.753	S	S	*	*			cis	-146.4	-85.7	1.7	-143.6	-178.3	0	0	0	114.8
394	S	29.4	Very low	33.7	Very low	102 Å²	102	122.4 Å²	122.4	71%	0.713	73%	0.733	S	S	*	*			trans	-161.9	173.7	-165.3	68.6	0	0	0	0	111.8
395	A	34.4	Very low	35.8	Very low	94 Å²	94	124 Å²	124	78%	0.777	72%	0.724	S	S	*	*			cis	-153.3	177	26.5	0	0	0	0	0	115.9
396	N	28.5	Very low	38.3	Very low	141 Å²	141	115.9 Å²	115.9	75%	0.754	69%	0.687	S	S	*	*			trans	-92.6	158.8	-167.6	-60	-47	0	0	0	115.8
397	M	34.8	Very low	40.2	Very low	190 Å²	190	114.1 Å²	114.1	94%	0.936	69%	0.692	S	S	*	*			trans	-144.3	157.4	130	-91.8	-55.4	142.6	0	0	110.6
398	T	29.5	Very low	42.1	Very low	110 Å²	110	111.4 Å²	111.4	68%	0.675	67%	0.674	S	S	*	*			trans	-128	152.5	-156.7	56.8	0	0	0	0	115.5
399	K	29.4	Very low	44.1	Very low	195 Å²	195	108.4 Å²	108.4	85%	0.848	66%	0.656	S	S	*	*			trans	-175.7	164.9	131.7	-103	161	-174.7	176.3	0	113.6
400	S	30	Very low	46.4	Very low	123 Å²	123	110.6 Å²	110.6	86%	0.86	66%	0.659	S	S	*	*			trans	54	101.3	-176.6	53.5	0	0	0	0	115.9
401	A	32.5	Very low	48.9	Very low	93 Å²	93	107.9 Å²	107.9	77%	0.769	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-90.2	132.5	172.8	0	0	0	0	0	111.1
402	S	42.8	Very low	51.2	Low	71 Å²	71	106.6 Å²	106.6	50%	0.497	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-92.7	130.7	162.6	31.5	0	0	0	0	108.7	F404	S402-F404 WeakPolarHBondContact OG-CE2 3.41Å; S402-F404 WeakPolarHBondContact OG-CZ 3.45Å
403	V	57.4	Low	53.6	Low	96 Å²	96	99.3 Å²	99.3	58%	0.582	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-100.4	121.7	177.9	178.1	0	0	0	0	107.9	V412	V403-V412 HydrophobicContact CG1-CG1 3.27Å
404	F	60.5	Low	55.4	Low	56 Å²	56	97.9 Å²	97.9	25%	0.246	59%	0.589	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.8	95.4	-178.2	-58.2	-91.1	0	0	0	109.1	S402 S413 L416 F419	S402-F404 WeakPolarHBondContact OG-CE2 3.41Å; S402-F404 WeakPolarHBondContact OG-CZ 3.45Å; F404-S413 PolarHBondContact N-O 3.12Å; F404-S413 PolarHBondContact O-N 3.49Å; F404-L416 HydrophobicContact CD1-CD1 4.43Å; F404-L416 HydrophobicContact CE1-CD1 4.02Å; F404-L416 HydrophobicContact CE2-CB 4.31Å; F404-L416 HydrophobicContact CZ-CB 4.16Å; F404-L416 HydrophobicContact CZ-CD1 4.34Å; F404-F419 HydrophobicContact CB-CB 3.8Å; F404-F419 HydrophobicContact CB-CD1 4.38Å; F404-F419 HydrophobicContact CB-CD2 3.56Å; F404-F419 HydrophobicContact CB-CE2 4.2Å; F404-F419 HydrophobicContact CB-CG 3.65Å; F404-F419 HydrophobicContact CG-CB 4.26Å; F404-F419 HydrophobicContact CG-CG 4.32Å
405	Q	74.6	Confident	57.4	Low	131 Å²	131	95.6 Å²	95.6	61%	0.612	57%	0.573	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.7	136.8	175.3	178.4	172.7	-4	0	0	110.4	V412	Q405-V412 HydrophobicContact CB-CG2 4.33Å; Q405-V412 HydrophobicContact CG-CG2 4.14Å
406	C	79.5	Confident	59.3	Low	6 Å²	6	96 Å²	96	4%	0.041	56%	0.562	C	S	.	*			trans	-72.3	144.7	172.9	-172.5	0	0	0	0	111.8	Q408 C409 V411 H422 M423 H426	C406-Q408 PolarHBondContact SG-N 3.04Å; C406-C409 WeakPolarHBondContact CB-O 3.26Å; C406-V411 PolarHBondContact N-O 3.21Å; C406-H422 VanDerWaalsContact CB-NE2 3.31Å; C406-H422 WeakPolarHBondContact CB-NE2 3.42Å; C406-H422 PolarHBondContact SG-NE2 3.24Å; C406-M423 WeakPolarHBondContact SG-CE 3.43Å; C406-H426 VanDerWaalsContact SG-CD2 3.58Å; C406-H426 PolarHBondContact SG-NE2 3.25Å; C406-H426 VanDerWaalsContact SG-NE2 3.36Å
407	G	70.1	Confident	61.4	Low	83 Å²	83	97.8 Å²	97.8	86%	0.856	56%	0.563	S	S	*	*	S	Bend	trans	-92.9	0.8	173.2	0	0	0	0	0	114.3
408	Q	67.1	Low	63.5	Low	106 Å²	106	91.5 Å²	91.5	50%	0.495	54%	0.538	S	S	.	.	S	Bend	trans	-122.2	-8.9	-176.1	-65.9	179.7	-1.2	0	0	113.2	C406 Q430	C406-Q408 PolarHBondContact SG-N 3.04Å; Q408-Q430 VanDerWaalsContact OE1-NE2 3.09Å
409	C	81.9	Confident	66	Low	46 Å²	46	88.4 Å²	88.4	31%	0.311	52%	0.515	S	S	.	.	S	Bend	trans	-161.2	178	163.7	71.2	0	0	0	0	110.6	C406 V411 H422 H426	C406-C409 WeakPolarHBondContact CB-O 3.26Å; C409-V411 PolarHBondContact O-N 3.47Å; C409-V411 VanDerWaalsContact O-N 3.09Å; C409-V411 VanDerWaalsContact SG-CG2 3.53Å; C409-H422 PolarHBondContact SG-CE1 2.78Å; C409-H422 PolarHBondContact SG-NE2 3.42Å; C409-H422 VanDerWaalsContact SG-NE2 3.36Å; C409-H426 PolarHBondContact SG-NE2 3.15Å
410	D	76.2	Confident	68.4	Low	150 Å²	150	82.5 Å²	82.5	80%	0.802	50%	0.495	S	S	*	.	S	Bend	trans	-77.1	15.1	-176.1	-58	-55.2	0	0	0	115.4	V412	D410-V412 PolarHBondContact O-N 3.4Å
411	V	79.1	Confident	70.8	Confident	60 Å²	60	80.2 Å²	80.2	36%	0.364	48%	0.479	S	S	.	.			trans	-73.3	126.2	179.8	171.5	0	0	0	0	111.2	C406 C409	C406-V411 PolarHBondContact N-O 3.21Å; C409-V411 PolarHBondContact O-N 3.47Å; C409-V411 VanDerWaalsContact O-N 3.09Å; C409-V411 VanDerWaalsContact SG-CG2 3.53Å
412	V	77.8	Confident	73.2	Confident	81 Å²	81	76.6 Å²	76.6	49%	0.491	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	105	-179.5	179.8	0	0	0	0	110.1	V403 Q405 D410	V403-V412 HydrophobicContact CG1-CG1 3.27Å; Q405-V412 HydrophobicContact CB-CG2 4.33Å; Q405-V412 HydrophobicContact CG-CG2 4.14Å; D410-V412 PolarHBondContact O-N 3.4Å
413	S	79.2	Confident	74.8	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.014	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.6	-178.9	-68.8	0	0	0	0	112	F404 S415 S418 F419	F404-S413 PolarHBondContact N-O 3.12Å; F404-S413 PolarHBondContact O-N 3.49Å; S413-S415 VanDerWaalsContact C-N 3.28Å; S413-S415 PolarHBondContact O-N 3.12Å; S413-S418 WeakPolarHBondContact CB-OG 3.28Å; S413-S418 PolarHBondContact OG-OG 3.17Å; S413-F419 PolarHBondContact OG-N 3.24Å
414	T	68.3	Low	75.7	Confident	119 Å²	119	76.7 Å²	76.7	73%	0.73	43%	0.433	S	S	*	.	S	Bend	trans	-87.3	7.2	173.8	53.4	0	0	0	0	113.7
415	S	71.9	Confident	76.4	Confident	55 Å²	55	78.6 Å²	78.6	39%	0.385	44%	0.443	S	S	.	.	S	Bend	trans	-149.9	134.8	-176.2	172.4	0	0	0	0	110.4	S413 K417 S418 F419	S413-S415 VanDerWaalsContact C-N 3.28Å; S413-S415 PolarHBondContact O-N 3.12Å; S415-K417 PolarHBondContact O-N 2.04Å; S415-K417 PolarHBondContact OG-N 3.42Å; S415-S418 WeakPolarHBondContact O-CB 3.38Å; S415-S418 PolarHBondContact O-N 3.2Å; S415-F419 PolarHBondContact O-N 3.03Å
416	L	73.5	Confident	76.5	Confident	103 Å²	103	73.3 Å²	73.3	54%	0.539	42%	0.418	S	S	.	.	H	α-helix	trans	-54.8	-37.7	178.1	-177.6	62.2	0	0	0	112.1	F404 S418 F419 T420	F404-L416 HydrophobicContact CD1-CD1 4.43Å; F404-L416 HydrophobicContact CE1-CD1 4.02Å; F404-L416 HydrophobicContact CE2-CB 4.31Å; F404-L416 HydrophobicContact CZ-CB 4.16Å; F404-L416 HydrophobicContact CZ-CD1 4.34Å; L416-S418 PolarHBondContact O-N 2.87Å; L416-F419 WeakPolarHBondContact O-CB 3.44Å; L416-F419 PolarHBondContact O-N 2.74Å; L416-T420 PolarHBondContact O-N 2.89Å; L416-T420 PolarHBondContact O-OG1 3.23Å
417	K	74.5	Confident	75.8	Confident	177 Å²	177	78.6 Å²	78.6	77%	0.77	45%	0.446	S	S	*	.	H	α-helix	trans	-65.3	-37.2	178	-69.7	-171.8	176.2	-174.5	0	113	S415 S421	S415-K417 PolarHBondContact O-N 2.04Å; S415-K417 PolarHBondContact OG-N 3.42Å; K417-S421 WeakPolarHBondContact O-CB 3.49Å; K417-S421 PolarHBondContact O-N 2.96Å; K417-S421 VanDerWaalsContact O-N 3.09Å
418	S	77.5	Confident	75.5	Confident	59 Å²	59	78.2 Å²	78.2	41%	0.413	43%	0.427	S	S	.	.	H	α-helix	trans	-66.7	-43.4	173.7	166.8	0	0	0	0	110.3	S413 S415 L416 S421 H422	S413-S418 WeakPolarHBondContact CB-OG 3.28Å; S413-S418 PolarHBondContact OG-OG 3.17Å; S415-S418 WeakPolarHBondContact O-CB 3.38Å; S415-S418 PolarHBondContact O-N 3.2Å; L416-S418 PolarHBondContact O-N 2.87Å; S418-S421 PolarHBondContact O-N 3.18Å; S418-H422 VanDerWaalsContact O-CB 3.3Å; S418-H422 WeakPolarHBondContact O-CB 3.48Å; S418-H422 PolarHBondContact O-N 3.26Å
419	F	83.2	Confident	75	Confident	45 Å²	45	77.4 Å²	77.4	20%	0.197	42%	0.423	C	S	.	.	H	α-helix	trans	-62.4	-44.1	177.1	-173.5	-105.6	0	0	0	112.4	F404 S413 S415 L416 H422 M423	F404-F419 HydrophobicContact CB-CB 3.8Å; F404-F419 HydrophobicContact CB-CD1 4.38Å; F404-F419 HydrophobicContact CB-CD2 3.56Å; F404-F419 HydrophobicContact CB-CE2 4.2Å; F404-F419 HydrophobicContact CB-CG 3.65Å; F404-F419 HydrophobicContact CG-CB 4.26Å; F404-F419 HydrophobicContact CG-CG 4.32Å; S413-F419 PolarHBondContact OG-N 3.24Å; S415-F419 PolarHBondContact O-N 3.03Å; L416-F419 WeakPolarHBondContact O-CB 3.44Å; L416-F419 PolarHBondContact O-N 2.74Å; F419-H422 PolarHBondContact O-N 3.18Å; F419-M423 HydrophobicContact CD1-CG 4.13Å; F419-M423 HydrophobicContact CE1-CG 3.8Å; F419-M423 HydrophobicContact CE1-SD 4.12Å; F419-M423 HydrophobicContact CE2-CG 4.26Å; F419-M423 HydrophobicContact CE2-SD 4.35Å; F419-M423 HydrophobicContact CG-CG 4.49Å; F419-M423 HydrophobicContact CZ-CG 3.88Å; F419-M423 HydrophobicContact CZ-SD 3.77Å; F419-M423 WeakPolarHBondContact O-CB 3.31Å; F419-M423 VanDerWaalsContact O-CG 3.24Å; F419-M423 WeakPolarHBondContact O-CG 3.24Å; F419-M423 PolarHBondContact O-N 3.42Å
420	T	78.4	Confident	73.6	Confident	70 Å²	70	80 Å²	80	43%	0.429	43%	0.43	S	S	.	.	H	α-helix	trans	-63	-45.9	176.7	-51.3	0	0	0	0	111.9	L416 H422 M423 Q424	L416-T420 PolarHBondContact O-N 2.89Å; L416-T420 PolarHBondContact O-OG1 3.23Å; T420-H422 VanDerWaalsContact C-N 3.28Å; T420-H422 PolarHBondContact O-N 2.68Å; T420-M423 PolarHBondContact O-N 3.11Å; T420-Q424 WeakPolarHBondContact O-CG 3.33Å; T420-Q424 PolarHBondContact O-N 3.08Å
421	S	80.3	Confident	72.1	Confident	75 Å²	75	77.1 Å²	77.1	52%	0.524	42%	0.422	S	S	.	.	H	α-helix	trans	-62.9	-35.4	177.2	-170.9	0	0	0	0	112.4	K417 S418 Q424 Q425	K417-S421 WeakPolarHBondContact O-CB 3.49Å; K417-S421 PolarHBondContact O-N 2.96Å; K417-S421 VanDerWaalsContact O-N 3.09Å; S418-S421 PolarHBondContact O-N 3.18Å; S421-Q424 PolarHBondContact O-N 2.84Å; S421-Q425 PolarHBondContact O-N 3.03Å
422	H	82.7	Confident	70.4	Confident	18 Å²	18	81.4 Å²	81.4	8%	0.083	44%	0.438	C	S	.	.	H	α-helix	trans	-73.8	-37.6	176.8	171.7	52.2	0	0	0	112.5	C406 C409 S418 F419 T420 Q424 Q425 H426	C406-H422 VanDerWaalsContact CB-NE2 3.31Å; C406-H422 WeakPolarHBondContact CB-NE2 3.42Å; C406-H422 PolarHBondContact SG-NE2 3.24Å; C409-H422 PolarHBondContact SG-CE1 2.78Å; C409-H422 PolarHBondContact SG-NE2 3.42Å; C409-H422 VanDerWaalsContact SG-NE2 3.36Å; S418-H422 VanDerWaalsContact O-CB 3.3Å; S418-H422 WeakPolarHBondContact O-CB 3.48Å; S418-H422 PolarHBondContact O-N 3.26Å; F419-H422 PolarHBondContact O-N 3.18Å; T420-H422 VanDerWaalsContact C-N 3.28Å; T420-H422 PolarHBondContact O-N 2.68Å; H422-Q424 VanDerWaalsContact C-N 3.29Å; H422-Q424 PolarHBondContact O-N 3.11Å; H422-Q425 WeakPolarHBondContact O-CB 3.39Å; H422-Q425 PolarHBondContact O-N 3.33Å; H422-Q425 VanDerWaalsContact O-N 3.12Å; H422-H426 AromaticContact CE1-CD2 3.4Å; H422-H426 PolarHBondContact CE1-CD2 3.35Å; H422-H426 AromaticContact CE1-NE2 3.22Å; H422-H426 PolarHBondContact CE1-NE2 3.31Å; H422-H426 AromaticContact NE2-CD2 3.43Å; H422-H426 PolarHBondContact NE2-CD2 3.48Å; H422-H426 AromaticContact NE2-NE2 3.29Å; H422-H426 PolarHBondContact NE2-NE2 2.02Å; H422-H426 PolarHBondContact O-N 3.15Å
423	M	76.5	Confident	68.6	Low	50 Å²	50	81.9 Å²	81.9	25%	0.246	45%	0.445	C	S	.	.	H	α-helix	trans	-66.3	-31.9	171.9	-67.3	-91.8	69.2	0	0	112	C406 F419 T420 Q425 H426 L427	C406-M423 WeakPolarHBondContact SG-CE 3.43Å; F419-M423 HydrophobicContact CD1-CG 4.13Å; F419-M423 HydrophobicContact CE1-CG 3.8Å; F419-M423 HydrophobicContact CE1-SD 4.12Å; F419-M423 HydrophobicContact CE2-CG 4.26Å; F419-M423 HydrophobicContact CE2-SD 4.35Å; F419-M423 HydrophobicContact CG-CG 4.49Å; F419-M423 HydrophobicContact CZ-CG 3.88Å; F419-M423 HydrophobicContact CZ-SD 3.77Å; F419-M423 WeakPolarHBondContact O-CB 3.31Å; F419-M423 VanDerWaalsContact O-CG 3.24Å; F419-M423 WeakPolarHBondContact O-CG 3.24Å; F419-M423 PolarHBondContact O-N 3.42Å; T420-M423 PolarHBondContact O-N 3.11Å; M423-Q425 VanDerWaalsContact C-N 3.34Å; M423-H426 HydrophobicContact CE-CB 4.29Å; M423-H426 PolarHBondContact O-N 3.45Å; M423-L427 WeakPolarHBondContact O-CG 3.3Å; M423-L427 PolarHBondContact O-N 3.32Å; M423-L427 VanDerWaalsContact O-N 3.08Å
424	Q	76.2	Confident	66.4	Low	118 Å²	118	87.6 Å²	87.6	55%	0.551	47%	0.473	S	S	*	.	H	α-helix	trans	-64.7	-35.9	169.8	-73.4	177.6	-63.7	0	0	112.4	T420 S421 H422 L427 T428	T420-Q424 WeakPolarHBondContact O-CG 3.33Å; T420-Q424 PolarHBondContact O-N 3.08Å; S421-Q424 PolarHBondContact O-N 2.84Å; H422-Q424 VanDerWaalsContact C-N 3.29Å; H422-Q424 PolarHBondContact O-N 3.11Å; Q424-L427 PolarHBondContact O-N 3.15Å; Q424-T428 PolarHBondContact O-N 2.82Å; Q424-T428 PolarHBondContact O-OG1 3.47Å
425	Q	76.8	Confident	64.6	Low	97 Å²	97	90.6 Å²	90.6	45%	0.453	48%	0.479	S	S	.	.	H	α-helix	trans	-61.3	-47.1	173.9	-176.4	-179.3	-8.3	0	0	111.4	S421 H422 M423 L427 T428 E429	S421-Q425 PolarHBondContact O-N 3.03Å; H422-Q425 WeakPolarHBondContact O-CB 3.39Å; H422-Q425 PolarHBondContact O-N 3.33Å; H422-Q425 VanDerWaalsContact O-N 3.12Å; M423-Q425 VanDerWaalsContact C-N 3.34Å; Q425-L427 VanDerWaalsContact C-N 3.32Å; Q425-L427 PolarHBondContact O-N 3.35Å; Q425-T428 WeakPolarHBondContact CA-OG1 3.25Å; Q425-T428 PolarHBondContact O-N 2.87Å; Q425-T428 VanDerWaalsContact O-N 3.13Å; Q425-T428 PolarHBondContact O-OG1 3.02Å; Q425-E429 HydrophobicContact CG-CG 4.38Å; Q425-E429 VanDerWaalsContact CG-OE1 3.27Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.31Å; Q425-E429 PolarHBondContact NE2-OE1 3.47Å; Q425-E429 WeakPolarHBondContact O-CG 3.25Å; Q425-E429 PolarHBondContact O-N 2.72Å
426	H	76.6	Confident	62.7	Low	20 Å²	20	95.6 Å²	95.6	9%	0.093	50%	0.501	C	S	.	.	H	α-helix	trans	-60	-39.2	174.4	-82.8	-59.8	0	0	0	113.1	C406 C409 H422 M423 T428 E429 Q430	C406-H426 VanDerWaalsContact SG-CD2 3.58Å; C406-H426 PolarHBondContact SG-NE2 3.25Å; C406-H426 VanDerWaalsContact SG-NE2 3.36Å; C409-H426 PolarHBondContact SG-NE2 3.15Å; H422-H426 AromaticContact CE1-CD2 3.4Å; H422-H426 PolarHBondContact CE1-CD2 3.35Å; H422-H426 AromaticContact CE1-NE2 3.22Å; H422-H426 PolarHBondContact CE1-NE2 3.31Å; H422-H426 AromaticContact NE2-CD2 3.43Å; H422-H426 PolarHBondContact NE2-CD2 3.48Å; H422-H426 AromaticContact NE2-NE2 3.29Å; H422-H426 PolarHBondContact NE2-NE2 2.02Å; H422-H426 PolarHBondContact O-N 3.15Å; M423-H426 HydrophobicContact CE-CB 4.29Å; M423-H426 PolarHBondContact O-N 3.45Å; H426-T428 VanDerWaalsContact C-N 3.33Å; H426-T428 PolarHBondContact O-N 2.8Å; H426-E429 PolarHBondContact O-N 2.85Å; H426-Q430 WeakPolarHBondContact O-CB 3.36Å; H426-Q430 WeakPolarHBondContact O-CG 3.22Å; H426-Q430 PolarHBondContact O-N 3.43Å
427	L	64	Low	60.8	Low	117 Å²	117	94.7 Å²	94.7	61%	0.613	50%	0.503	S	S	*	.	H	α-helix	trans	-63.2	-38.2	174.6	-73.5	163	0	0	0	111.9	M423 Q424 Q425 S431	M423-L427 WeakPolarHBondContact O-CG 3.3Å; M423-L427 PolarHBondContact O-N 3.32Å; M423-L427 VanDerWaalsContact O-N 3.08Å; Q424-L427 PolarHBondContact O-N 3.15Å; Q425-L427 VanDerWaalsContact C-N 3.32Å; Q425-L427 PolarHBondContact O-N 3.35Å; L427-S431 PolarHBondContact O-N 3.19Å
428	T	64.4	Low	59.6	Low	74 Å²	74	95.6 Å²	95.6	45%	0.454	51%	0.506	S	S	.	.	H	α-helix	trans	-71.5	-38.6	173.7	47.5	0	0	0	0	113.2	Q424 Q425 H426 S431 Q432	Q424-T428 PolarHBondContact O-N 2.82Å; Q424-T428 PolarHBondContact O-OG1 3.47Å; Q425-T428 WeakPolarHBondContact CA-OG1 3.25Å; Q425-T428 PolarHBondContact O-N 2.87Å; Q425-T428 VanDerWaalsContact O-N 3.13Å; Q425-T428 PolarHBondContact O-OG1 3.02Å; H426-T428 VanDerWaalsContact C-N 3.33Å; H426-T428 PolarHBondContact O-N 2.8Å; T428-S431 PolarHBondContact O-N 3.46Å; T428-S431 PolarHBondContact O-OG 3.27Å; T428-Q432 WeakPolarHBondContact O-CG 3.43Å; T428-Q432 PolarHBondContact O-N 3.24Å
429	E	56.6	Low	58.4	Low	89 Å²	89	95.9 Å²	95.9	42%	0.416	51%	0.509	S	S	.	.	H	α-helix	trans	-72.5	-33.8	-179.8	-70.8	169.3	176.5	0	0	112.2	Q425 H426 S431 Q432 S433	Q425-E429 HydrophobicContact CG-CG 4.38Å; Q425-E429 VanDerWaalsContact CG-OE1 3.27Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.31Å; Q425-E429 PolarHBondContact NE2-OE1 3.47Å; Q425-E429 WeakPolarHBondContact O-CG 3.25Å; Q425-E429 PolarHBondContact O-N 2.72Å; H426-E429 PolarHBondContact O-N 2.85Å; E429-S431 VanDerWaalsContact C-N 3.32Å; E429-Q432 PolarHBondContact O-N 3.48Å; E429-S433 PolarHBondContact O-OG 3.49Å
430	Q	51.1	Low	57.2	Low	100 Å²	100	96.6 Å²	96.6	47%	0.467	51%	0.512	S	S	.	.	H	α-helix	trans	-66.1	-33.9	170.2	-74.6	176.5	3.4	0	0	111.9	Q408 H426 Q432 S433	Q408-Q430 VanDerWaalsContact OE1-NE2 3.09Å; H426-Q430 WeakPolarHBondContact O-CB 3.36Å; H426-Q430 WeakPolarHBondContact O-CG 3.22Å; H426-Q430 PolarHBondContact O-N 3.43Å; Q430-Q432 PolarHBondContact O-N 3.36Å; Q430-S433 PolarHBondContact O-OG 3.06Å
431	S	45	Very low	56.7	Low	90 Å²	90	101.4 Å²	101.4	63%	0.629	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.9	173.7	74	0	0	0	0	114.7	L427 T428 E429	L427-S431 PolarHBondContact O-N 3.19Å; T428-S431 PolarHBondContact O-N 3.46Å; T428-S431 PolarHBondContact O-OG 3.27Å; E429-S431 VanDerWaalsContact C-N 3.32Å
432	Q	44.6	Very low	56.3	Low	151 Å²	151	97.9 Å²	97.9	71%	0.706	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	11.5	-175.8	-68.8	177.1	9.7	0	0	113.8	T428 E429 Q430	T428-Q432 WeakPolarHBondContact O-CG 3.43Å; T428-Q432 PolarHBondContact O-N 3.24Å; E429-Q432 PolarHBondContact O-N 3.48Å; Q430-Q432 PolarHBondContact O-N 3.36Å
433	S	39.6	Very low	55.5	Low	90 Å²	90	103 Å²	103	63%	0.629	53%	0.525	S	S	*	.	S	Bend	trans	-128	9.7	-174.5	42.3	0	0	0	0	115.1	E429 Q430	E429-S433 PolarHBondContact O-OG 3.49Å; Q430-S433 PolarHBondContact O-OG 3.06Å
434	M	32.1	Very low	54.9	Low	123 Å²	123	105.1 Å²	105.1	61%	0.606	54%	0.537	S	S	*	.			trans	-100.2	17.6	178.6	-81.4	-82.2	-77.5	0	0	114.4	N436 D450	M434-N436 PolarHBondContact O-N 3.4Å; M434-D450 HydrophobicContact CE-CB 4.34Å
435	E	31.5	Very low	54.7	Low	181 Å²	181	102.7 Å²	102.7	85%	0.846	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	67.4	173.2	-67.6	-166.1	141	0	0	112.6
436	N	32.2	Very low	54.3	Low	161 Å²	161	100 Å²	100	86%	0.861	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	172.6	56.6	149.1	-95.4	-55.2	0	0	0	113.6	M434	M434-N436 PolarHBondContact O-N 3.4Å
437	C	33.7	Very low	54.1	Low	84 Å²	84	103 Å²	103	57%	0.568	55%	0.547	S	S	*	.	S	Bend	trans	-147.1	100.2	163.5	-106.3	0	0	0	0	114.6	S439	C437-S439 VanDerWaalsContact C-N 3.26Å; C437-S439 PolarHBondContact O-N 3.35Å
438	K	48.3	Very low	54.7	Low	195 Å²	195	101 Å²	101	85%	0.848	54%	0.539	S	S	*	.			trans	33.7	39.7	149.3	-60.7	-175.2	178.8	177.9	0	118.6	K440	K438-K440 PolarHBondContact O-N 2.82Å; K438-K440 VanDerWaalsContact O-N 3.13Å
439	S	52.1	Low	55.2	Low	66 Å²	66	98.8 Å²	98.8	46%	0.462	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-66.6	118.4	178.3	58.4	0	0	0	0	110.1	C437 L449 D450	C437-S439 VanDerWaalsContact C-N 3.26Å; C437-S439 PolarHBondContact O-N 3.35Å; S439-L449 CarbonylContact C-O 3.59Å; S439-L449 VanDerWaalsContact CA-O 3.23Å; S439-L449 WeakPolarHBondContact CA-O 3.36Å; S439-D450 WeakPolarHBondContact CB-OD1 3.4Å
440	K	58.2	Low	55.5	Low	60 Å²	60	98.8 Å²	98.8	26%	0.261	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.5	-176.3	-68.5	-175	179	-178.1	0	109.3	K438 L449 E452 Y455	K438-K440 PolarHBondContact O-N 2.82Å; K438-K440 VanDerWaalsContact O-N 3.13Å; K440-L449 PolarHBondContact N-O 2.91Å; K440-L449 PolarHBondContact O-N 3.12Å; K440-E452 VanDerWaalsContact CE-OE1 3.31Å; K440-E452 WeakPolarHBondContact CE-OE1 3.41Å; K440-E452 IonicContact NZ-OE1 3.31Å; K440-E452 PolarHBondContact NZ-OE1 3.44Å; K440-Y455 HydrophobicContact CB-CD1 4.3Å; K440-Y455 HydrophobicContact CB-CD2 3.22Å; K440-Y455 HydrophobicContact CB-CE2 3.68Å; K440-Y455 HydrophobicContact CB-CG 3.55Å; K440-Y455 HydrophobicContact CD-CD1 3.36Å; K440-Y455 HydrophobicContact CD-CD2 3.9Å; K440-Y455 HydrophobicContact CD-CE1 3.83Å; K440-Y455 HydrophobicContact CD-CE2 4.3Å; K440-Y455 HydrophobicContact CD-CG 3.37Å; K440-Y455 HydrophobicContact CG-CD2 4.24Å; K440-Y455 HydrophobicContact CG-CG 4.13Å
441	R	67.7	Low	56.7	Low	171 Å²	171	97.1 Å²	97.1	65%	0.645	52%	0.524	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	128.8	171.2	177.7	-179.4	-67	-149	-2	110	L447 V448 Y455	R441-L447 CarbonylContact C-O 3.42Å; R441-L447 WeakPolarHBondContact CA-O 3.26Å; R441-V448 HydrophobicContact CB-CG2 4.46Å; R441-Y455 WeakPolarHBondContact O-CE2 3.39Å
442	C	72	Confident	57.9	Low	0 Å²	0	98.8 Å²	98.8	0%	0	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-79.1	123.8	171	-173.9	0	0	0	0	111.5	L444 G446 L447 Y455 H458 H462	C442-L444 PolarHBondContact O-N 3.44Å; C442-G446 VanDerWaalsContact O-CA 3.23Å; C442-G446 WeakPolarHBondContact O-CA 3.48Å; C442-G446 PolarHBondContact O-N 3.14Å; C442-L447 PolarHBondContact N-O 3.29Å; C442-Y455 HydrophobicContact CB-CE2 4.32Å; C442-H458 VanDerWaalsContact CB-CD2 3.45Å; C442-H458 WeakPolarHBondContact CB-CD2 3.36Å; C442-H458 WeakPolarHBondContact CB-NE2 3.3Å; C442-H458 VanDerWaalsContact SG-CD2 3.58Å; C442-H458 PolarHBondContact SG-NE2 2.83Å; C442-H462 PolarHBondContact SG-NE2 2.91Å; C442-H462 VanDerWaalsContact SG-NE2 3.41Å
443	D	66.5	Low	59.2	Low	126 Å²	126	97.9 Å²	97.9	67%	0.674	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-17	-178.8	-51.5	-65.3	0	0	0	113.5
444	L	64.1	Low	60.7	Low	94 Å²	94	98.1 Å²	98.1	49%	0.492	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-21.3	-175.7	-60.7	178	0	0	0	114.3	C442 L459 H462 Y463	C442-L444 PolarHBondContact O-N 3.44Å; L444-L459 HydrophobicContact CD1-CD1 3.97Å; L444-H462 HydrophobicContact CD1-CB 3.55Å; L444-Y463 HydrophobicContact CD1-CE2 4.4Å
445	C	71	Confident	62.7	Low	68 Å²	68	93.5 Å²	93.5	46%	0.459	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.4	8.8	172.9	77.7	0	0	0	0	115.8	L447 H458 H462	C445-L447 VanDerWaalsContact C-N 3.3Å; C445-L447 PolarHBondContact O-N 3.5Å; C445-H458 PolarHBondContact SG-CE1 3.04Å; C445-H458 PolarHBondContact SG-NE2 2.94Å; C445-H458 VanDerWaalsContact SG-NE2 3.38Å; C445-H462 PolarHBondContact SG-CE1 3.45Å
446	G	68.2	Low	64.6	Low	41 Å²	41	87.1 Å²	87.1	42%	0.423	46%	0.46	S	S	.	.			trans	74.8	4.9	175.3	0	0	0	0	0	116.5	C442 V448	C442-G446 VanDerWaalsContact O-CA 3.23Å; C442-G446 WeakPolarHBondContact O-CA 3.48Å; C442-G446 PolarHBondContact O-N 3.14Å; G446-V448 PolarHBondContact O-N 2.86Å
447	L	72.7	Confident	66.5	Low	83 Å²	83	83.4 Å²	83.4	44%	0.435	44%	0.443	S	S	.	.			trans	-59.7	134.1	173.9	-112	90.3	0	0	0	110.1	R441 C442 C445 L449	R441-L447 CarbonylContact C-O 3.42Å; R441-L447 WeakPolarHBondContact CA-O 3.26Å; C442-L447 PolarHBondContact N-O 3.29Å; C445-L447 VanDerWaalsContact C-N 3.3Å; C445-L447 PolarHBondContact O-N 3.5Å; L447-L449 HydrophobicContact CB-CD1 4.45Å; L447-L449 HydrophobicContact CB-CG 4.48Å; L447-L449 HydrophobicContact CD2-CD2 4.06Å; L447-L449 HydrophobicContact CD2-CG 4.45Å
448	V	76.3	Confident	68.5	Low	73 Å²	73	80.7 Å²	80.7	44%	0.442	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.1	172	176.7	0	0	0	0	107.3	R441 G446	R441-V448 HydrophobicContact CB-CG2 4.46Å; G446-V448 PolarHBondContact O-N 2.86Å
449	L	75.6	Confident	69.9	Low	28 Å²	28	72.1 Å²	72.1	15%	0.147	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	130	-170.6	-67.6	161.5	0	0	0	109.9	S439 K440 L447 E454 H458	S439-L449 CarbonylContact C-O 3.59Å; S439-L449 VanDerWaalsContact CA-O 3.23Å; S439-L449 WeakPolarHBondContact CA-O 3.36Å; K440-L449 PolarHBondContact N-O 2.91Å; K440-L449 PolarHBondContact O-N 3.12Å; L447-L449 HydrophobicContact CB-CD1 4.45Å; L447-L449 HydrophobicContact CB-CG 4.48Å; L447-L449 HydrophobicContact CD2-CD2 4.06Å; L447-L449 HydrophobicContact CD2-CG 4.45Å; L449-E454 HydrophobicContact CB-CB 4.33Å; L449-E454 HydrophobicContact CD2-CB 4.33Å; L449-H458 HydrophobicContact CD1-CB 3.28Å; L449-H458 VanDerWaalsContact CD1-CG 3.41Å
450	D	63.5	Low	70.9	Confident	90 Å²	90	70.3 Å²	70.3	48%	0.481	37%	0.37	S	S	.	.	S	Bend	trans	-83.3	-19.3	-162.5	-59.2	-33.5	0	0	0	113.4	M434 S439	M434-D450 HydrophobicContact CE-CB 4.34Å; S439-D450 WeakPolarHBondContact CB-OD1 3.4Å
451	T	75.2	Confident	71.5	Confident	64 Å²	64	70.2 Å²	70.2	39%	0.393	38%	0.377	S	S	.	.	S	Bend	trans	-116.3	152.1	171.7	72.5	0	0	0	0	113.5	L453 E454 Y455	T451-L453 VanDerWaalsContact C-N 3.26Å; T451-L453 PolarHBondContact O-N 3.03Å; T451-E454 WeakPolarHBondContact CB-OE2 3.33Å; T451-E454 WeakPolarHBondContact CG2-OE2 3.24Å; T451-E454 PolarHBondContact N-OE2 2.79Å; T451-E454 VanDerWaalsContact N-OE2 3.08Å; T451-E454 PolarHBondContact O-N 2.97Å; T451-E454 WeakPolarHBondContact OG1-CB 3.46Å; T451-E454 WeakPolarHBondContact OG1-CG 3.27Å; T451-E454 PolarHBondContact OG1-N 2.84Å; T451-E454 VanDerWaalsContact OG1-N 3.13Å; T451-E454 PolarHBondContact OG1-OE2 3.48Å; T451-Y455 PolarHBondContact O-N 2.78Å
452	E	71.4	Confident	71.7	Confident	125 Å²	125	64.2 Å²	64.2	58%	0.584	36%	0.357	S	S	*	.	H	α-helix	trans	-61	-33.8	173.7	177	148	-118.3	0	0	112.4	K440 D456	K440-E452 VanDerWaalsContact CE-OE1 3.31Å; K440-E452 WeakPolarHBondContact CE-OE1 3.41Å; K440-E452 IonicContact NZ-OE1 3.31Å; K440-E452 PolarHBondContact NZ-OE1 3.44Å; E452-D456 PolarHBondContact O-N 3.18Å
453	L	71.9	Confident	71.4	Confident	132 Å²	132	65.3 Å²	65.3	69%	0.691	36%	0.361	S	S	*	.	H	α-helix	trans	-70.7	-41.4	177.3	-176.9	64.5	0	0	0	112.4	T451 T457	T451-L453 VanDerWaalsContact C-N 3.26Å; T451-L453 PolarHBondContact O-N 3.03Å; L453-T457 VanDerWaalsContact O-CB 3.25Å; L453-T457 WeakPolarHBondContact O-CB 3.46Å; L453-T457 PolarHBondContact O-N 3.12Å; L453-T457 PolarHBondContact O-OG1 2.97Å
454	E	70.1	Confident	71.2	Confident	96 Å²	96	61.3 Å²	61.3	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-40.2	174.3	-71.8	160	144.5	0	0	111.2	L449 T451 T457 H458	L449-E454 HydrophobicContact CB-CB 4.33Å; L449-E454 HydrophobicContact CD2-CB 4.33Å; T451-E454 WeakPolarHBondContact CB-OE2 3.33Å; T451-E454 WeakPolarHBondContact CG2-OE2 3.24Å; T451-E454 PolarHBondContact N-OE2 2.79Å; T451-E454 VanDerWaalsContact N-OE2 3.08Å; T451-E454 PolarHBondContact O-N 2.97Å; T451-E454 WeakPolarHBondContact OG1-CB 3.46Å; T451-E454 WeakPolarHBondContact OG1-CG 3.27Å; T451-E454 PolarHBondContact OG1-N 2.84Å; T451-E454 VanDerWaalsContact OG1-N 3.13Å; T451-E454 PolarHBondContact OG1-OE2 3.48Å; E454-T457 PolarHBondContact O-N 2.88Å; E454-H458 WeakPolarHBondContact O-CB 3.38Å; E454-H458 PolarHBondContact O-N 3.5Å
455	Y	75.4	Confident	71	Confident	25 Å²	25	59.1 Å²	59.1	10%	0.098	33%	0.326	C	S	.	.	H	α-helix	trans	-58.9	-50	173.3	177.5	-95.6	0	0	0	112.2	K440 R441 C442 T451 H458 L459	K440-Y455 HydrophobicContact CB-CD1 4.3Å; K440-Y455 HydrophobicContact CB-CD2 3.22Å; K440-Y455 HydrophobicContact CB-CE2 3.68Å; K440-Y455 HydrophobicContact CB-CG 3.55Å; K440-Y455 HydrophobicContact CD-CD1 3.36Å; K440-Y455 HydrophobicContact CD-CD2 3.9Å; K440-Y455 HydrophobicContact CD-CE1 3.83Å; K440-Y455 HydrophobicContact CD-CE2 4.3Å; K440-Y455 HydrophobicContact CD-CG 3.37Å; K440-Y455 HydrophobicContact CG-CD2 4.24Å; K440-Y455 HydrophobicContact CG-CG 4.13Å; R441-Y455 WeakPolarHBondContact O-CE2 3.39Å; C442-Y455 HydrophobicContact CB-CE2 4.32Å; T451-Y455 PolarHBondContact O-N 2.78Å; Y455-H458 PolarHBondContact O-N 3.3Å; Y455-L459 HydrophobicContact CD1-CD2 4.48Å; Y455-L459 HydrophobicContact CE1-CD2 3.71Å; Y455-L459 WeakPolarHBondContact O-CB 3.41Å; Y455-L459 PolarHBondContact O-N 3.32Å
456	D	71.4	Confident	70.2	Confident	47 Å²	47	61.3 Å²	61.3	25%	0.251	33%	0.328	S	S	.	.	H	α-helix	trans	-65.5	-41.5	179.5	-72.8	-6.7	0	0	0	111	E452 H458 L459 M460	E452-D456 PolarHBondContact O-N 3.18Å; D456-H458 VanDerWaalsContact C-N 3.34Å; D456-H458 PolarHBondContact O-N 2.91Å; D456-L459 PolarHBondContact O-N 3.42Å; D456-M460 WeakPolarHBondContact O-CB 3.32Å; D456-M460 WeakPolarHBondContact O-CG 3.48Å; D456-M460 PolarHBondContact O-N 3Å
457	T	71.7	Confident	69.4	Low	83 Å²	83	62.3 Å²	62.3	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-40.6	175.6	-58.2	0	0	0	0	112.1	L453 E454 S461	L453-T457 VanDerWaalsContact O-CB 3.25Å; L453-T457 WeakPolarHBondContact O-CB 3.46Å; L453-T457 PolarHBondContact O-N 3.12Å; L453-T457 PolarHBondContact O-OG1 2.97Å; E454-T457 PolarHBondContact O-N 2.88Å; T457-S461 PolarHBondContact O-N 2.75Å; T457-S461 VanDerWaalsContact O-N 3.16Å
458	H	74.4	Confident	68.4	Low	28 Å²	28	60.9 Å²	60.9	13%	0.13	32%	0.319	C	S	.	.	H	α-helix	trans	-71.9	-39.3	175.2	172.1	75.4	0	0	0	112.1	C442 C445 L449 E454 Y455 D456 M460 S461 H462	C442-H458 VanDerWaalsContact CB-CD2 3.45Å; C442-H458 WeakPolarHBondContact CB-CD2 3.36Å; C442-H458 WeakPolarHBondContact CB-NE2 3.3Å; C442-H458 VanDerWaalsContact SG-CD2 3.58Å; C442-H458 PolarHBondContact SG-NE2 2.83Å; C445-H458 PolarHBondContact SG-CE1 3.04Å; C445-H458 PolarHBondContact SG-NE2 2.94Å; C445-H458 VanDerWaalsContact SG-NE2 3.38Å; L449-H458 HydrophobicContact CD1-CB 3.28Å; L449-H458 VanDerWaalsContact CD1-CG 3.41Å; E454-H458 WeakPolarHBondContact O-CB 3.38Å; E454-H458 PolarHBondContact O-N 3.5Å; Y455-H458 PolarHBondContact O-N 3.3Å; D456-H458 VanDerWaalsContact C-N 3.34Å; D456-H458 PolarHBondContact O-N 2.91Å; H458-M460 VanDerWaalsContact C-N 3.3Å; H458-M460 PolarHBondContact O-N 2.9Å; H458-S461 WeakPolarHBondContact O-CA 3.4Å; H458-S461 VanDerWaalsContact O-CB 3.26Å; H458-S461 WeakPolarHBondContact O-CB 3.49Å; H458-S461 PolarHBondContact O-N 3.24Å; H458-S461 PolarHBondContact O-OG 3.28Å; H458-H462 AromaticContact CD2-NE2 3.71Å; H458-H462 AromaticContact CE1-NE2 3.34Å; H458-H462 PolarHBondContact CE1-NE2 3.32Å; H458-H462 VanDerWaalsContact CE1-NE2 3.34Å; H458-H462 AromaticContact NE2-CD2 3.85Å; H458-H462 AromaticContact NE2-CE1 3.93Å; H458-H462 AromaticContact NE2-NE2 2.96Å; H458-H462 PolarHBondContact NE2-NE2 2.86Å; H458-H462 PolarHBondContact O-CD2 3.24Å; H458-H462 PolarHBondContact O-N 3.37Å
459	L	77.6	Confident	67.7	Low	14 Å²	14	58.6 Å²	58.6	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-63.3	-40.9	177.2	-170.2	54.4	0	0	0	110.3	L444 Y455 D456 S461 H462 Y463 L552	L444-L459 HydrophobicContact CD1-CD1 3.97Å; Y455-L459 HydrophobicContact CD1-CD2 4.48Å; Y455-L459 HydrophobicContact CE1-CD2 3.71Å; Y455-L459 WeakPolarHBondContact O-CB 3.41Å; Y455-L459 PolarHBondContact O-N 3.32Å; D456-L459 PolarHBondContact O-N 3.42Å; L459-S461 VanDerWaalsContact C-N 3.27Å; L459-S461 PolarHBondContact O-N 2.8Å; L459-H462 PolarHBondContact O-N 3.38Å; L459-Y463 HydrophobicContact CD1-CE2 4.17Å; L459-Y463 HydrophobicContact CG-CE2 4.21Å; L459-Y463 WeakPolarHBondContact O-CD2 3.39Å; L459-Y463 WeakPolarHBondContact O-CE2 3.25Å; L459-L552 HydrophobicContact CD2-CD2 3.58Å; L459-L552 HydrophobicContact CG-CD2 3.72Å
460	M	73.6	Confident	67.1	Low	29 Å²	29	58.3 Å²	58.3	14%	0.143	30%	0.301	C	S	.	.	H	α-helix	trans	-57.6	-36.2	167.7	-68.3	159.5	179.2	0	0	112.6	D456 H458 H462 Y463 L464 L544 V547 H548	D456-M460 WeakPolarHBondContact O-CB 3.32Å; D456-M460 WeakPolarHBondContact O-CG 3.48Å; D456-M460 PolarHBondContact O-N 3Å; H458-M460 VanDerWaalsContact C-N 3.3Å; H458-M460 PolarHBondContact O-N 2.9Å; M460-H462 VanDerWaalsContact C-N 3.28Å; M460-H462 PolarHBondContact O-N 3.1Å; M460-Y463 PolarHBondContact O-N 3.11Å; M460-Y463 VanDerWaalsContact O-N 3.1Å; M460-L464 VanDerWaalsContact O-CB 3.25Å; M460-L464 WeakPolarHBondContact O-CB 3.45Å; M460-L464 PolarHBondContact O-N 3.17Å; M460-L544 HydrophobicContact CE-CD2 3.76Å; M460-L544 HydrophobicContact CG-CD2 4Å; M460-L544 HydrophobicContact SD-CD2 3.35Å; M460-L544 WeakPolarHBondContact SD-CD2 3.42Å; M460-V547 HydrophobicContact CG-CG1 4.38Å; M460-H548 WeakPolarHBondContact CE-NE2 3.14Å
461	S	70.8	Confident	67.3	Low	58 Å²	58	55.5 Å²	55.5	41%	0.406	29%	0.287	S	S	.	.	H	α-helix	trans	-63.2	-28.9	-179.2	84.2	0	0	0	0	114	T457 H458 L459 L464	T457-S461 PolarHBondContact O-N 2.75Å; T457-S461 VanDerWaalsContact O-N 3.16Å; H458-S461 WeakPolarHBondContact O-CA 3.4Å; H458-S461 VanDerWaalsContact O-CB 3.26Å; H458-S461 WeakPolarHBondContact O-CB 3.49Å; H458-S461 PolarHBondContact O-N 3.24Å; H458-S461 PolarHBondContact O-OG 3.28Å; L459-S461 VanDerWaalsContact C-N 3.27Å; L459-S461 PolarHBondContact O-N 2.8Å; S461-L464 PolarHBondContact O-N 3.12Å
462	H	71.9	Confident	67.1	Low	45 Å²	45	52.5 Å²	52.5	21%	0.208	27%	0.268	C	S	.	.	H	α-helix	trans	-66.7	-39.6	172.7	-69.9	-68.1	0	0	0	112.6	C442 L444 C445 H458 L459 M460 R531	C442-H462 PolarHBondContact SG-NE2 2.91Å; C442-H462 VanDerWaalsContact SG-NE2 3.41Å; L444-H462 HydrophobicContact CD1-CB 3.55Å; C445-H462 PolarHBondContact SG-CE1 3.45Å; H458-H462 AromaticContact CD2-NE2 3.71Å; H458-H462 AromaticContact CE1-NE2 3.34Å; H458-H462 PolarHBondContact CE1-NE2 3.32Å; H458-H462 VanDerWaalsContact CE1-NE2 3.34Å; H458-H462 AromaticContact NE2-CD2 3.85Å; H458-H462 AromaticContact NE2-CE1 3.93Å; H458-H462 AromaticContact NE2-NE2 2.96Å; H458-H462 PolarHBondContact NE2-NE2 2.86Å; H458-H462 PolarHBondContact O-CD2 3.24Å; H458-H462 PolarHBondContact O-N 3.37Å; L459-H462 PolarHBondContact O-N 3.38Å; M460-H462 VanDerWaalsContact C-N 3.28Å; M460-H462 PolarHBondContact O-N 3.1Å; H462-R531 WeakPolarHBondContact O-CB 3.46Å
463	Y	66.3	Low	66.6	Low	23 Å²	23	52.6 Å²	52.6	9%	0.09	27%	0.273	C	S	.	.	H	α-helix	trans	-79.6	-17.4	178.3	-58.4	-69.5	0	0	0	112.8	L444 L459 M460 Q465 C530 R531 S532 F543 V547 H551 L552	L444-Y463 HydrophobicContact CD1-CE2 4.4Å; L459-Y463 HydrophobicContact CD1-CE2 4.17Å; L459-Y463 HydrophobicContact CG-CE2 4.21Å; L459-Y463 WeakPolarHBondContact O-CD2 3.39Å; L459-Y463 WeakPolarHBondContact O-CE2 3.25Å; M460-Y463 PolarHBondContact O-N 3.11Å; M460-Y463 VanDerWaalsContact O-N 3.1Å; Y463-Q465 PolarHBondContact O-N 2.86Å; Y463-C530 CarbonylContact O-C 3.43Å; Y463-C530 WeakPolarHBondContact O-CA 3.43Å; Y463-R531 PolarHBondContact O-N 3.15Å; Y463-S532 VanDerWaalsContact CD1-OG 3.27Å; Y463-S532 WeakPolarHBondContact CD1-OG 3.19Å; Y463-S532 WeakPolarHBondContact CE1-OG 3.49Å; Y463-F543 WeakPolarHBondContact O-CE2 3.44Å; Y463-V547 HydrophobicContact CD2-CG1 3.64Å; Y463-V547 HydrophobicContact CD2-CG2 4.5Å; Y463-V547 HydrophobicContact CE2-CG1 4.29Å; Y463-V547 HydrophobicContact CG-CG1 4.15Å; Y463-V547 HydrophobicContact CG-CG2 4.22Å; Y463-H551 HydrophobicContact CD1-CB 4.29Å; Y463-H551 AromaticContact CD1-CD2 3.81Å; Y463-H551 AromaticContact CD1-CG 3.94Å; Y463-H551 HydrophobicContact CE1-CB 3.72Å; Y463-H551 AromaticContact CE1-CG 3.68Å; Y463-H551 HydrophobicContact CE2-CB 4.22Å; Y463-L552 HydrophobicContact CE2-CD2 3.83Å
464	L	63	Low	66.2	Low	42 Å²	42	51.4 Å²	51.4	22%	0.22	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	101.8	-168.4	-178.1	59	0	0	0	113.4	M460 S461 K466 H528 F543	M460-L464 VanDerWaalsContact O-CB 3.25Å; M460-L464 WeakPolarHBondContact O-CB 3.45Å; M460-L464 PolarHBondContact O-N 3.17Å; S461-L464 PolarHBondContact O-N 3.12Å; L464-K466 HydrophobicContact CD1-CG 3.9Å; L464-K466 HydrophobicContact CD2-CG 4.21Å; L464-K466 HydrophobicContact CG-CG 3.9Å; L464-H528 HydrophobicContact CD1-CB 4.25Å; L464-F543 VanDerWaalsContact CA-CZ 3.43Å; L464-F543 HydrophobicContact CB-CE1 3.95Å; L464-F543 HydrophobicContact CB-CE2 4.3Å; L464-F543 HydrophobicContact CB-CZ 3.53Å; L464-F543 HydrophobicContact CD1-CD1 3.96Å; L464-F543 HydrophobicContact CD1-CD2 4.29Å; L464-F543 HydrophobicContact CD1-CE1 3.66Å; L464-F543 HydrophobicContact CD1-CE2 3.99Å; L464-F543 HydrophobicContact CD1-CG 4.28Å; L464-F543 HydrophobicContact CD1-CZ 3.68Å; L464-F543 HydrophobicContact CG-CE1 4.26Å; L464-F543 HydrophobicContact CG-CZ 4.17Å
465	Q	59.3	Low	66.3	Low	47 Å²	47	49 Å²	49	22%	0.22	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	97.8	165.6	-176.5	161.9	-47.9	0	0	108.9	Y463 E467 R529	Y463-Q465 PolarHBondContact O-N 2.86Å; Q465-E467 HydrophobicContact CG-CG 4.13Å; Q465-E467 PolarHBondContact NE2-OE1 3.47Å; Q465-E467 PolarHBondContact O-N 3.3Å; Q465-R529 HydrophobicContact CB-CB 4.11Å; Q465-R529 HydrophobicContact CB-CG 4.46Å; Q465-R529 WeakPolarHBondContact CB-O 3.38Å; Q465-R529 HydrophobicContact CG-CB 4.47Å; Q465-R529 PolarHBondContact N-O 2.91Å; Q465-R529 WeakPolarHBondContact O-CB 3.46Å; Q465-R529 PolarHBondContact O-N 3.33Å
466	K	53.7	Low	65.9	Low	114 Å²	114	52.6 Å²	52.6	50%	0.496	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	110.6	174.8	-67.5	-159.1	178.6	-159.5	0	110.1	L464	L464-K466 HydrophobicContact CD1-CG 3.9Å; L464-K466 HydrophobicContact CD2-CG 4.21Å; L464-K466 HydrophobicContact CG-CG 3.9Å
467	E	51.2	Low	65.9	Low	62 Å²	62	54.7 Å²	54.7	29%	0.29	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	84.3	176	-67.9	-176.4	168.5	0	0	109.4	Q465 H469 R527 R529	Q465-E467 HydrophobicContact CG-CG 4.13Å; Q465-E467 PolarHBondContact NE2-OE1 3.47Å; Q465-E467 PolarHBondContact O-N 3.3Å; E467-H469 PolarHBondContact O-N 3.1Å; E467-H469 PolarHBondContact O-ND1 3.18Å; E467-R527 PolarHBondContact N-O 3.1Å; E467-R527 PolarHBondContact O-N 2.63Å; E467-R529 VanDerWaalsContact CD-CD 3.46Å; E467-R529 WeakPolarHBondContact OE1-CD 3.47Å; E467-R529 IonicContact OE1-CZ 2.68Å; E467-R529 IonicContact OE1-NE 3.66Å; E467-R529 IonicContact OE1-NH1 2.77Å; E467-R529 PolarHBondContact OE1-NH1 3.33Å; E467-R529 WeakPolarHBondContact OE2-CD 3.42Å; E467-R529 IonicContact OE2-NH1 2.85Å
468	S	51.7	Low	65.8	Low	54 Å²	54	54.4 Å²	54.4	38%	0.378	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	112.5	167.7	47.3	0	0	0	0	109.3
469	H	62.1	Low	65.7	Low	24 Å²	24	55.3 Å²	55.3	11%	0.111	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	115.5	-179.8	56.5	-64.7	0	0	0	108.6	E467 V471 Y479 Q525 R527	E467-H469 PolarHBondContact O-N 3.1Å; E467-H469 PolarHBondContact O-ND1 3.18Å; H469-V471 PolarHBondContact O-N 2.76Å; H469-Y479 CarbonylContact C-O 3.43Å; H469-Y479 WeakPolarHBondContact CA-O 3.18Å; H469-Q525 PolarHBondContact CE1-O 2.84Å; H469-Q525 PolarHBondContact N-O 3.16Å; H469-Q525 PolarHBondContact ND1-O 2.8Å; H469-Q525 VanDerWaalsContact ND1-O 3.12Å; H469-R527 WeakPolarHBondContact CE1-CD 3.47Å; H469-R527 VanDerWaalsContact CE1-CG 3.46Å; H469-R527 WeakPolarHBondContact CE1-CG 3.46Å; H469-R527 PolarHBondContact CE1-NE 3.22Å; H469-R527 PolarHBondContact NE2-NE 3.47Å; H469-R527 PolarHBondContact NE2-NH2 2.95Å
470	F	63.7	Low	65	Low	23 Å²	23	60.2 Å²	60.2	10%	0.101	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	104.7	-177.2	-66.2	-92.8	0	0	0	108	Y479 S482 L485 E524	F470-Y479 PolarHBondContact N-O 3.05Å; F470-Y479 PolarHBondContact O-N 3.25Å; F470-S482 VanDerWaalsContact CE2-N 3.32Å; F470-L485 HydrophobicContact CB-CB 3.59Å; F470-L485 HydrophobicContact CB-CD2 3.72Å; F470-L485 HydrophobicContact CB-CG 4.19Å; F470-L485 HydrophobicContact CG-CB 4.49Å; F470-E524 HydrophobicContact CD1-CG 4.15Å; F470-E524 HydrophobicContact CE1-CG 3.43Å; F470-E524 VanDerWaalsContact CE1-CG 3.43Å; F470-E524 HydrophobicContact CZ-CG 3.93Å
471	V	67.4	Low	64.9	Low	31 Å²	31	60.1 Å²	60.1	19%	0.188	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.3	-172.4	-176.6	0	0	0	0	111.1	H469 D473	H469-V471 PolarHBondContact O-N 2.76Å; V471-D473 PolarHBondContact O-N 2.84Å; V471-D473 VanDerWaalsContact O-N 3.08Å
472	C	71.3	Confident	64.9	Low	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.322	C	S	.	.			trans	-63.5	102.2	163.7	167.5	0	0	0	0	110.4	K474 C475 S476 R477 Y479 L485 H488	C472-K474 PolarHBondContact O-N 2.8Å; C472-C475 HydrophobicContact CB-CB 4.4Å; C472-C475 WeakPolarHBondContact CB-SG 3.36Å; C472-C475 PolarHBondContact O-N 3.21Å; C472-C475 VanDerWaalsContact SG-CA 3.54Å; C472-C475 WeakPolarHBondContact SG-CB 3.31Å; C472-C475 PolarHBondContact SG-N 3.03Å; C472-C475 CovalentContact SG-SG 2.04Å; C472-C475 PolarHBondContact SG-SG 3.49Å; C472-S476 VanDerWaalsContact O-CA 3.26Å; C472-S476 WeakPolarHBondContact O-CA 3.33Å; C472-S476 PolarHBondContact O-N 2.29Å; C472-R477 HydrophobicContact CB-CB 4.18Å; C472-R477 WeakPolarHBondContact CB-O 3.16Å; C472-R477 PolarHBondContact N-O 3.15Å; C472-Y479 HydrophobicContact CB-CE2 4.39Å; C472-L485 HydrophobicContact CB-CD1 4.16Å; C472-H488 WeakPolarHBondContact CB-NE2 3.47Å; C472-H488 PolarHBondContact SG-NE2 3.38Å
473	D	60.6	Low	64.8	Low	127 Å²	127	61.7 Å²	61.7	68%	0.679	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-36.9	175.5	-175.1	62.8	0	0	0	112.8	V471 C475 L502	V471-D473 PolarHBondContact O-N 2.84Å; V471-D473 VanDerWaalsContact O-N 3.08Å; D473-C475 PolarHBondContact O-N 3.38Å; D473-L502 HydrophobicContact CB-CD2 3.73Å
474	K	63	Low	65.2	Low	107 Å²	107	63.5 Å²	63.5	47%	0.465	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-6	-179.1	-71.4	-151.6	170.1	-172.5	0	116.8	C472 H493 A501 L502	C472-K474 PolarHBondContact O-N 2.8Å; K474-H493 VanDerWaalsContact CB-NE2 3.26Å; K474-H493 WeakPolarHBondContact CB-NE2 3.43Å; K474-A501 HydrophobicContact CD-CB 4.22Å; K474-A501 WeakPolarHBondContact CE-O 3.34Å; K474-A501 PolarHBondContact NZ-O 3.03Å; K474-L502 HydrophobicContact CG-CD2 4.19Å
475	C	71.7	Confident	65.7	Low	47 Å²	47	61.8 Å²	61.8	32%	0.318	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-160.7	6.5	-167.6	72.3	0	0	0	0	114.8	C472 D473 R477 H488	C472-C475 HydrophobicContact CB-CB 4.4Å; C472-C475 WeakPolarHBondContact CB-SG 3.36Å; C472-C475 PolarHBondContact O-N 3.21Å; C472-C475 VanDerWaalsContact SG-CA 3.54Å; C472-C475 WeakPolarHBondContact SG-CB 3.31Å; C472-C475 PolarHBondContact SG-N 3.03Å; C472-C475 CovalentContact SG-SG 2.04Å; C472-C475 PolarHBondContact SG-SG 3.49Å; D473-C475 PolarHBondContact O-N 3.38Å; C475-R477 PolarHBondContact O-N 3.44Å; C475-H488 PolarHBondContact SG-CE1 3.07Å; C475-H488 PolarHBondContact SG-NE2 3.15Å; C475-H488 VanDerWaalsContact SG-NE2 3.42Å
476	S	67.9	Low	66.2	Low	100 Å²	100	60.7 Å²	60.7	70%	0.699	33%	0.328	S	S	*	.			trans	53.4	7.4	179.7	-49.5	0	0	0	0	117	C472 S478	C472-S476 VanDerWaalsContact O-CA 3.26Å; C472-S476 WeakPolarHBondContact O-CA 3.33Å; C472-S476 PolarHBondContact O-N 2.29Å; S476-S478 PolarHBondContact O-N 3.35Å
477	R	71.6	Confident	67	Low	90 Å²	90	61.1 Å²	61.1	34%	0.34	33%	0.33	S	S	.	.			trans	-67.8	122.5	176.4	-68.5	-171.7	-178.6	175.2	5	110.8	C472 C475 Y479 M862	C472-R477 HydrophobicContact CB-CB 4.18Å; C472-R477 WeakPolarHBondContact CB-O 3.16Å; C472-R477 PolarHBondContact N-O 3.15Å; C475-R477 PolarHBondContact O-N 3.44Å; R477-Y479 HydrophobicContact CB-CE2 3.57Å; R477-Y479 VanDerWaalsContact CD-OH 3.26Å; R477-Y479 WeakPolarHBondContact CD-OH 3.35Å; R477-Y479 WeakPolarHBondContact O-CD2 3.42Å; R477-Y479 WeakPolarHBondContact O-CE2 3.44Å; R477-M862 PolarHBondContact NH2-O 3.44Å
478	S	68.4	Low	68.1	Low	78 Å²	78	58.5 Å²	58.5	55%	0.545	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	135.3	173.5	52.5	0	0	0	0	111.6	S476	S476-S478 PolarHBondContact O-N 3.35Å
479	Y	72.4	Confident	68.8	Low	47 Å²	47	56.2 Å²	56.2	18%	0.184	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	140.7	176.9	-67.5	-76.4	0	0	0	111	H469 F470 C472 R477 T481 D484 L485 H488	H469-Y479 CarbonylContact C-O 3.43Å; H469-Y479 WeakPolarHBondContact CA-O 3.18Å; F470-Y479 PolarHBondContact N-O 3.05Å; F470-Y479 PolarHBondContact O-N 3.25Å; C472-Y479 HydrophobicContact CB-CE2 4.39Å; R477-Y479 HydrophobicContact CB-CE2 3.57Å; R477-Y479 VanDerWaalsContact CD-OH 3.26Å; R477-Y479 WeakPolarHBondContact CD-OH 3.35Å; R477-Y479 WeakPolarHBondContact O-CD2 3.42Å; R477-Y479 WeakPolarHBondContact O-CE2 3.44Å; Y479-T481 VanDerWaalsContact C-N 3.29Å; Y479-T481 PolarHBondContact O-N 2.88Å; Y479-D484 HydrophobicContact CD1-CB 3.76Å; Y479-D484 HydrophobicContact CG-CB 4.17Å; Y479-L485 HydrophobicContact CD2-CB 4.12Å; Y479-L485 HydrophobicContact CD2-CD1 3.8Å; Y479-L485 HydrophobicContact CE2-CD1 4.3Å; Y479-L485 HydrophobicContact CG-CB 4.31Å; Y479-H488 HydrophobicContact CD2-CB 4.24Å; Y479-H488 HydrophobicContact CE1-CB 4.02Å; Y479-H488 HydrophobicContact CE2-CB 3.56Å; Y479-H488 AromaticContact CE2-CD2 3.74Å; Y479-H488 AromaticContact CE2-CG 3.33Å; Y479-H488 AromaticContact CE2-ND1 3.8Å; Y479-H488 VanDerWaalsContact CZ-CB 3.45Å; Y479-H488 AromaticContact CZ-CG 3.47Å; Y479-H488 VanDerWaalsContact CZ-CG 3.47Å; Y479-H488 AromaticContact CZ-ND1 3.67Å; Y479-H488 PolarHBondContact OH-ND1 3.48Å
480	T	64.3	Low	68.9	Low	116 Å²	116	55.6 Å²	55.6	71%	0.712	30%	0.298	S	S	*	.	S	Bend	trans	-79.7	-10.7	-177.6	49.6	0	0	0	0	113.4
481	T	71.8	Confident	69	Low	27 Å²	27	58.5 Å²	58.5	17%	0.166	32%	0.315	C	S	.	.	S	Bend	trans	-136.7	155.3	173.9	79.7	0	0	0	0	111.5	Y479 E483 D484 L485	Y479-T481 VanDerWaalsContact C-N 3.29Å; Y479-T481 PolarHBondContact O-N 2.88Å; T481-E483 PolarHBondContact O-N 2.05Å; T481-E483 PolarHBondContact OG1-N 3.13Å; T481-D484 WeakPolarHBondContact CG2-OD2 3.24Å; T481-D484 PolarHBondContact O-N 2.75Å; T481-D484 WeakPolarHBondContact OG1-CB 3.03Å; T481-D484 VanDerWaalsContact OG1-CG 3.26Å; T481-D484 PolarHBondContact OG1-N 2.67Å; T481-D484 PolarHBondContact OG1-OD2 3.28Å; T481-L485 PolarHBondContact O-N 2.77Å; T481-L485 VanDerWaalsContact O-N 3.1Å
482	S	69.4	Low	68.8	Low	49 Å²	49	58.4 Å²	58.4	34%	0.343	31%	0.313	S	S	.	.	H	α-helix	trans	-62.7	-31.4	170.5	-168.7	0	0	0	0	111.3	F470 L485 Q486	F470-S482 VanDerWaalsContact CE2-N 3.32Å; S482-L485 PolarHBondContact O-N 3.16Å; S482-Q486 VanDerWaalsContact O-CB 3.31Å; S482-Q486 WeakPolarHBondContact O-CB 3.23Å; S482-Q486 VanDerWaalsContact O-CG 3.26Å; S482-Q486 WeakPolarHBondContact O-CG 3.41Å; S482-Q486 PolarHBondContact O-N 2.84Å
483	E	70.7	Confident	68.3	Low	87 Å²	87	60.9 Å²	60.9	41%	0.407	33%	0.325	S	S	.	.	H	α-helix	trans	-67.6	-37.8	177.8	-63.9	177.6	-169.6	0	0	111.4	Y150 T481 Q486 K487	Y150-E483 PolarHBondContact OH-OE2 3.35Å; T481-E483 PolarHBondContact O-N 2.05Å; T481-E483 PolarHBondContact OG1-N 3.13Å; E483-Q486 PolarHBondContact O-N 3.31Å; E483-K487 WeakPolarHBondContact O-CB 3.47Å; E483-K487 PolarHBondContact O-N 3.13Å
484	D	73.6	Confident	68	Low	61 Å²	61	56.5 Å²	56.5	33%	0.326	31%	0.306	S	S	.	.	H	α-helix	trans	-72.6	-38.3	174.7	-68.4	-60.9	0	0	0	112.2	Y479 T481 H488	Y479-D484 HydrophobicContact CD1-CB 3.76Å; Y479-D484 HydrophobicContact CG-CB 4.17Å; T481-D484 WeakPolarHBondContact CG2-OD2 3.24Å; T481-D484 PolarHBondContact O-N 2.75Å; T481-D484 WeakPolarHBondContact OG1-CB 3.03Å; T481-D484 VanDerWaalsContact OG1-CG 3.26Å; T481-D484 PolarHBondContact OG1-N 2.67Å; T481-D484 PolarHBondContact OG1-OD2 3.28Å; D484-H488 WeakPolarHBondContact O-CB 3.22Å; D484-H488 PolarHBondContact O-N 3.16Å
485	L	75.1	Confident	67.2	Low	7 Å²	7	56.9 Å²	56.9	4%	0.037	32%	0.317	C	S	.	.	H	α-helix	trans	-65	-43.2	170.3	177	65.3	0	0	0	111	F470 C472 Y479 T481 S482 H488 L489 S523	F470-L485 HydrophobicContact CB-CB 3.59Å; F470-L485 HydrophobicContact CB-CD2 3.72Å; F470-L485 HydrophobicContact CB-CG 4.19Å; F470-L485 HydrophobicContact CG-CB 4.49Å; C472-L485 HydrophobicContact CB-CD1 4.16Å; Y479-L485 HydrophobicContact CD2-CB 4.12Å; Y479-L485 HydrophobicContact CD2-CD1 3.8Å; Y479-L485 HydrophobicContact CE2-CD1 4.3Å; Y479-L485 HydrophobicContact CG-CB 4.31Å; T481-L485 PolarHBondContact O-N 2.77Å; T481-L485 VanDerWaalsContact O-N 3.1Å; S482-L485 PolarHBondContact O-N 3.16Å; L485-H488 CarbonylContact O-C 3.54Å; L485-H488 WeakPolarHBondContact O-CB 3.27Å; L485-H488 PolarHBondContact O-N 3.31Å; L485-L489 HydrophobicContact CD1-CD1 4.11Å; L485-L489 HydrophobicContact CD1-CG 4.05Å; L485-L489 HydrophobicContact CD2-CD1 4.26Å; L485-L489 HydrophobicContact CG-CD1 3.81Å; L485-L489 HydrophobicContact CG-CG 4.22Å; L485-L489 WeakPolarHBondContact O-CB 3.26Å; L485-L489 VanDerWaalsContact O-CG 3.26Å; L485-L489 WeakPolarHBondContact O-CG 3.31Å; L485-L489 PolarHBondContact O-N 2.43Å; L485-S523 WeakPolarHBondContact CD2-OG 3.29Å
486	Q	68	Low	66	Low	24 Å²	24	63.6 Å²	63.6	11%	0.112	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-46.5	176.1	-78.3	-177.8	12.6	0	0	111	S482 E483 H488 L489 F490 Q514	S482-Q486 VanDerWaalsContact O-CB 3.31Å; S482-Q486 WeakPolarHBondContact O-CB 3.23Å; S482-Q486 VanDerWaalsContact O-CG 3.26Å; S482-Q486 WeakPolarHBondContact O-CG 3.41Å; S482-Q486 PolarHBondContact O-N 2.84Å; E483-Q486 PolarHBondContact O-N 3.31Å; Q486-H488 VanDerWaalsContact C-N 3.31Å; Q486-H488 PolarHBondContact O-N 2.38Å; Q486-L489 PolarHBondContact O-N 3.02Å; Q486-L489 VanDerWaalsContact O-N 3.16Å; Q486-F490 WeakPolarHBondContact O-CB 3.5Å; Q486-F490 WeakPolarHBondContact O-CD2 3.26Å; Q486-F490 PolarHBondContact O-N 3.05Å; Q486-Q514 VanDerWaalsContact OE1-CG 3.3Å
487	K	70.8	Confident	65	Low	122 Å²	122	63.3 Å²	63.3	53%	0.53	33%	0.334	S	S	.	.	H	α-helix	trans	-56.3	-47.5	174.3	179.9	-178.2	176	-171.2	0	110.5	E483 F490 D491	E483-K487 WeakPolarHBondContact O-CB 3.47Å; E483-K487 PolarHBondContact O-N 3.13Å; K487-F490 PolarHBondContact O-N 2.87Å; K487-D491 WeakPolarHBondContact CG-OD2 3.34Å; K487-D491 VanDerWaalsContact O-CB 3.24Å; K487-D491 WeakPolarHBondContact O-CB 3.46Å; K487-D491 PolarHBondContact O-N 3.35Å
488	H	74.9	Confident	64.1	Low	8 Å²	8	62.9 Å²	62.9	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-47	173	160.1	78.9	0	0	0	112.7	C472 C475 Y479 D484 L485 Q486 F490 D491 L492 H493	C472-H488 WeakPolarHBondContact CB-NE2 3.47Å; C472-H488 PolarHBondContact SG-NE2 3.38Å; C475-H488 PolarHBondContact SG-CE1 3.07Å; C475-H488 PolarHBondContact SG-NE2 3.15Å; C475-H488 VanDerWaalsContact SG-NE2 3.42Å; Y479-H488 HydrophobicContact CD2-CB 4.24Å; Y479-H488 HydrophobicContact CE1-CB 4.02Å; Y479-H488 HydrophobicContact CE2-CB 3.56Å; Y479-H488 AromaticContact CE2-CD2 3.74Å; Y479-H488 AromaticContact CE2-CG 3.33Å; Y479-H488 AromaticContact CE2-ND1 3.8Å; Y479-H488 VanDerWaalsContact CZ-CB 3.45Å; Y479-H488 AromaticContact CZ-CG 3.47Å; Y479-H488 VanDerWaalsContact CZ-CG 3.47Å; Y479-H488 AromaticContact CZ-ND1 3.67Å; Y479-H488 PolarHBondContact OH-ND1 3.48Å; D484-H488 WeakPolarHBondContact O-CB 3.22Å; D484-H488 PolarHBondContact O-N 3.16Å; L485-H488 CarbonylContact O-C 3.54Å; L485-H488 WeakPolarHBondContact O-CB 3.27Å; L485-H488 PolarHBondContact O-N 3.31Å; Q486-H488 VanDerWaalsContact C-N 3.31Å; Q486-H488 PolarHBondContact O-N 2.38Å; H488-F490 VanDerWaalsContact C-N 3.28Å; H488-F490 PolarHBondContact O-N 3.49Å; H488-D491 PolarHBondContact O-N 2.83Å; H488-L492 VanDerWaalsContact ND1-CD1 3.33Å; H488-L492 WeakPolarHBondContact ND1-CD1 3.46Å; H488-L492 WeakPolarHBondContact O-CA 3.47Å; H488-L492 WeakPolarHBondContact O-CB 3.41Å; H488-L492 PolarHBondContact O-N 3.46Å; H488-H493 AromaticContact CE1-CD2 3.61Å; H488-H493 AromaticContact NE2-CD2 3.21Å; H488-H493 PolarHBondContact NE2-CD2 3.22Å
489	L	66.6	Low	63.6	Low	5 Å²	5	66.8 Å²	66.8	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-64.6	-33.5	179.8	-73.1	168.8	0	0	0	111.7	L485 Q486 H493 A494 F517	L485-L489 HydrophobicContact CD1-CD1 4.11Å; L485-L489 HydrophobicContact CD1-CG 4.05Å; L485-L489 HydrophobicContact CD2-CD1 4.26Å; L485-L489 HydrophobicContact CG-CD1 3.81Å; L485-L489 HydrophobicContact CG-CG 4.22Å; L485-L489 WeakPolarHBondContact O-CB 3.26Å; L485-L489 VanDerWaalsContact O-CG 3.26Å; L485-L489 WeakPolarHBondContact O-CG 3.31Å; L485-L489 PolarHBondContact O-N 2.43Å; Q486-L489 PolarHBondContact O-N 3.02Å; Q486-L489 VanDerWaalsContact O-N 3.16Å; L489-H493 CarbonylContact O-C 3.58Å; L489-H493 WeakPolarHBondContact O-CA 3.3Å; L489-H493 WeakPolarHBondContact O-CB 3.25Å; L489-H493 PolarHBondContact O-N 3.47Å; L489-H493 VanDerWaalsContact O-N 3.11Å; L489-A494 PolarHBondContact O-N 2.79Å; L489-A494 VanDerWaalsContact O-N 3.16Å; L489-F517 HydrophobicContact CB-CD2 4.46Å; L489-F517 HydrophobicContact CB-CE1 4.33Å; L489-F517 HydrophobicContact CB-CE2 3.83Å; L489-F517 HydrophobicContact CB-CZ 3.77Å; L489-F517 HydrophobicContact CD1-CD1 3.86Å; L489-F517 HydrophobicContact CD1-CE1 3.79Å; L489-F517 HydrophobicContact CD1-CE2 4.44Å; L489-F517 HydrophobicContact CD1-CG 4.25Å; L489-F517 HydrophobicContact CD1-CZ 4.1Å; L489-F517 HydrophobicContact CD2-CE1 4.4Å; L489-F517 HydrophobicContact CD2-CZ 4.42Å; L489-F517 HydrophobicContact CG-CE1 4.4Å; L489-F517 HydrophobicContact CG-CZ 4.31Å
490	F	64.3	Low	63.3	Low	11 Å²	11	64.6 Å²	64.6	5%	0.048	33%	0.327	C	S	.	.	H	α-helix	trans	-72.8	-54.1	172.5	-83.6	-63.2	0	0	0	112.7	Q486 K487 H488 A494 Y498 R510 L513 Q514 F517	Q486-F490 WeakPolarHBondContact O-CB 3.5Å; Q486-F490 WeakPolarHBondContact O-CD2 3.26Å; Q486-F490 PolarHBondContact O-N 3.05Å; K487-F490 PolarHBondContact O-N 2.87Å; H488-F490 VanDerWaalsContact C-N 3.28Å; H488-F490 PolarHBondContact O-N 3.49Å; F490-A494 HydrophobicContact CD1-CB 4.29Å; F490-A494 VanDerWaalsContact O-CB 3.25Å; F490-A494 WeakPolarHBondContact O-CB 3.26Å; F490-A494 PolarHBondContact O-N 3.49Å; F490-Y498 HydrophobicContact CE1-CD1 4.47Å; F490-R510 HydrophobicContact CD1-CG 3.85Å; F490-R510 HydrophobicContact CE1-CB 4.39Å; F490-R510 HydrophobicContact CE1-CG 3.35Å; F490-R510 HydrophobicContact CE2-CG 4.4Å; F490-R510 VanDerWaalsContact CG-CZ 3.46Å; F490-R510 HydrophobicContact CZ-CG 3.69Å; F490-R510 WeakPolarHBondContact CZ-O 3.48Å; F490-L513 HydrophobicContact CD1-CD2 4.31Å; F490-L513 HydrophobicContact CE1-CB 4.12Å; F490-L513 HydrophobicContact CE1-CD2 3.7Å; F490-L513 HydrophobicContact CE1-CG 3.93Å; F490-L513 HydrophobicContact CZ-CB 4.22Å; F490-L513 HydrophobicContact CZ-CD2 4.37Å; F490-L513 HydrophobicContact CZ-CG 4.12Å; F490-Q514 HydrophobicContact CE2-CB 3.87Å; F490-Q514 HydrophobicContact CE2-CG 3.94Å; F490-Q514 HydrophobicContact CZ-CB 3.75Å; F490-Q514 HydrophobicContact CZ-CG 4.35Å; F490-F517 HydrophobicContact CE2-CD2 4.42Å; F490-F517 HydrophobicContact CZ-CD2 4.38Å
491	D	64.9	Low	63.1	Low	84 Å²	84	59.9 Å²	59.9	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-75.8	-28.1	-170.6	-59.4	-5.6	0	0	0	111.1	K487 H488	K487-D491 WeakPolarHBondContact CG-OD2 3.34Å; K487-D491 VanDerWaalsContact O-CB 3.24Å; K487-D491 WeakPolarHBondContact O-CB 3.46Å; K487-D491 PolarHBondContact O-N 3.35Å; H488-D491 PolarHBondContact O-N 2.83Å
492	L	64.1	Low	62.4	Low	29 Å²	29	60.8 Å²	60.8	15%	0.152	30%	0.303	C	S	.	.	H	α-helix	trans	-109.5	-17.9	-176.6	-54.2	-150.9	0	0	0	115.3	H488 K865	H488-L492 VanDerWaalsContact ND1-CD1 3.33Å; H488-L492 WeakPolarHBondContact ND1-CD1 3.46Å; H488-L492 WeakPolarHBondContact O-CA 3.47Å; H488-L492 WeakPolarHBondContact O-CB 3.41Å; H488-L492 PolarHBondContact O-N 3.46Å; L492-K865 HydrophobicContact CB-CD 4.28Å; L492-K865 HydrophobicContact CB-CG 4.32Å; L492-K865 HydrophobicContact CD2-CG 3.68Å; L492-K865 HydrophobicContact CG-CG 4.46Å; L492-K865 WeakPolarHBondContact O-CD 3.4Å; L492-K865 VanDerWaalsContact O-CE 3.32Å; L492-K865 WeakPolarHBondContact O-CE 3.44Å; L492-K865 PolarHBondContact O-NZ 3.27Å
493	H	60.9	Low	62.3	Low	52 Å²	52	61.2 Å²	61.2	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-131.5	-2.4	-175.8	-63.7	-80.1	0	0	0	116.1	K474 H488 L489 V495 A501	K474-H493 VanDerWaalsContact CB-NE2 3.26Å; K474-H493 WeakPolarHBondContact CB-NE2 3.43Å; H488-H493 AromaticContact CE1-CD2 3.61Å; H488-H493 AromaticContact NE2-CD2 3.21Å; H488-H493 PolarHBondContact NE2-CD2 3.22Å; L489-H493 CarbonylContact O-C 3.58Å; L489-H493 WeakPolarHBondContact O-CA 3.3Å; L489-H493 WeakPolarHBondContact O-CB 3.25Å; L489-H493 PolarHBondContact O-N 3.47Å; L489-H493 VanDerWaalsContact O-N 3.11Å; H493-V495 PolarHBondContact O-N 3.44Å; H493-A501 HydrophobicContact CB-CB 3.96Å
494	A	52.8	Low	62	Low	36 Å²	36	58.3 Å²	58.3	30%	0.298	30%	0.299	S	S	.	.			trans	-88.4	102.3	174.5	0	0	0	0	0	112.2	L489 F490	L489-A494 PolarHBondContact O-N 2.79Å; L489-A494 VanDerWaalsContact O-N 3.16Å; F490-A494 HydrophobicContact CD1-CB 4.29Å; F490-A494 VanDerWaalsContact O-CB 3.25Å; F490-A494 WeakPolarHBondContact O-CB 3.26Å; F490-A494 PolarHBondContact O-N 3.49Å
495	V	46.8	Very low	62	Low	115 Å²	115	57 Å²	57	70%	0.697	30%	0.295	S	S	*	.			trans	-82.9	158.2	165.3	-176.2	0	0	0	0	109.4	H493 L497	H493-V495 PolarHBondContact O-N 3.44Å; V495-L497 CarbonylContact O-C 3.26Å; V495-L497 VanDerWaalsContact O-O 3.08Å
496	H	46.7	Very low	61.9	Low	188 Å²	188	59 Å²	59	87%	0.87	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	142.1	-175.2	-62.4	-74.1	0	0	0	113.5
497	L	46.9	Very low	62.3	Low	93 Å²	93	59.6 Å²	59.6	49%	0.487	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	111.8	-150.7	-67.7	166.6	0	0	0	110.5	V495 R499 I506	V495-L497 CarbonylContact O-C 3.26Å; V495-L497 VanDerWaalsContact O-O 3.08Å; L497-R499 VanDerWaalsContact C-N 3.27Å; L497-R499 PolarHBondContact O-N 3.4Å; L497-I506 HydrophobicContact CB-CG2 4.3Å
498	Y	53.8	Low	61.9	Low	82 Å²	82	56.5 Å²	56.5	32%	0.322	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	75.3	-161.4	-66.5	-80.9	0	0	0	113.2	F490 C500 H507 S509 R510 L513	F490-Y498 HydrophobicContact CE1-CD1 4.47Å; Y498-C500 PolarHBondContact O-N 2.62Å; Y498-H507 WeakPolarHBondContact CB-O 3.33Å; Y498-H507 PolarHBondContact N-O 3.1Å; Y498-H507 WeakPolarHBondContact O-CB 3.49Å; Y498-H507 PolarHBondContact O-CD2 2.91Å; Y498-H507 PolarHBondContact O-N 3.17Å; Y498-S509 VanDerWaalsContact CE2-C 3.44Å; Y498-R510 HydrophobicContact CE1-CB 3.92Å; Y498-R510 HydrophobicContact CE1-CG 4.26Å; Y498-R510 VanDerWaalsContact CE2-N 3.33Å; Y498-L513 HydrophobicContact CD1-CD2 3.97Å; Y498-L513 HydrophobicContact CG-CB 4.5Å; Y498-L513 HydrophobicContact CG-CD2 4.37Å
499	R	56.4	Low	61.5	Low	160 Å²	160	57.4 Å²	57.4	60%	0.604	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	114.6	177.6	-164.3	177	-174.6	-163.9	-2.2	109.3	L497 A501 G504 S505 I506	L497-R499 VanDerWaalsContact C-N 3.27Å; L497-R499 PolarHBondContact O-N 3.4Å; R499-A501 PolarHBondContact O-N 3.31Å; R499-A501 VanDerWaalsContact O-N 3.08Å; R499-G504 WeakPolarHBondContact CG-O 3.49Å; R499-G504 PolarHBondContact NE-O 3.31Å; R499-S505 CarbonylContact C-O 3.57Å; R499-S505 WeakPolarHBondContact CA-O 3.48Å; R499-I506 HydrophobicContact CG-CG1 4.19Å
500	C	67.5	Low	61.3	Low	1 Å²	1	62.2 Å²	62.2	1%	0.007	32%	0.322	C	S	.	.			trans	-43.6	114.3	165.6	164.3	0	0	0	0	110	Y498 L502 C503 G504 S505 L513 H516 H521	Y498-C500 PolarHBondContact O-N 2.62Å; C500-L502 PolarHBondContact O-N 2.91Å; C500-C503 HydrophobicContact CB-CB 4.48Å; C500-C503 WeakPolarHBondContact CB-SG 3.49Å; C500-C503 VanDerWaalsContact SG-CA 3.55Å; C500-C503 WeakPolarHBondContact SG-CB 3.28Å; C500-C503 PolarHBondContact SG-N 3.32Å; C500-C503 CovalentContact SG-SG 2.05Å; C500-C503 PolarHBondContact SG-SG 3.42Å; C500-G504 VanDerWaalsContact O-CA 3.31Å; C500-G504 WeakPolarHBondContact O-CA 3.3Å; C500-G504 PolarHBondContact O-N 2.98Å; C500-S505 VanDerWaalsContact CB-O 3.24Å; C500-S505 WeakPolarHBondContact CB-O 3.27Å; C500-S505 VanDerWaalsContact CB-OG 3.23Å; C500-S505 WeakPolarHBondContact CB-OG 3.47Å; C500-S505 PolarHBondContact N-O 3.03Å; C500-L513 HydrophobicContact CB-CD1 4.22Å; C500-H516 PolarHBondContact SG-NE2 2.94Å; C500-H521 PolarHBondContact SG-NE2 3.27Å
501	A	59.3	Low	61.7	Low	17 Å²	17	65.5 Å²	65.5	14%	0.14	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.7	-176.2	0	0	0	0	0	112.1	K474 H493 R499	K474-A501 HydrophobicContact CD-CB 4.22Å; K474-A501 WeakPolarHBondContact CE-O 3.34Å; K474-A501 PolarHBondContact NZ-O 3.03Å; H493-A501 HydrophobicContact CB-CB 3.96Å; R499-A501 PolarHBondContact O-N 3.31Å; R499-A501 VanDerWaalsContact O-N 3.08Å
502	L	56.4	Low	62	Low	46 Å²	46	64 Å²	64	24%	0.241	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.1	-166.8	-57.7	172.5	0	0	0	114.1	D473 K474 C500 F517 H521	D473-L502 HydrophobicContact CB-CD2 3.73Å; K474-L502 HydrophobicContact CG-CD2 4.19Å; C500-L502 PolarHBondContact O-N 2.91Å; L502-F517 HydrophobicContact CD1-CD1 4.48Å; L502-F517 HydrophobicContact CD1-CE1 4.2Å; L502-F517 HydrophobicContact CG-CE1 4.49Å; L502-H521 WeakPolarHBondContact CB-ND1 3.3Å; L502-H521 HydrophobicContact CD1-CB 3.63Å
503	C	67.8	Low	62.3	Low	58 Å²	58	62.6 Å²	62.6	39%	0.392	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150	-5.7	-174.3	71.9	0	0	0	0	114.4	C500 S505 H516 H521	C500-C503 HydrophobicContact CB-CB 4.48Å; C500-C503 WeakPolarHBondContact CB-SG 3.49Å; C500-C503 VanDerWaalsContact SG-CA 3.55Å; C500-C503 WeakPolarHBondContact SG-CB 3.28Å; C500-C503 PolarHBondContact SG-N 3.32Å; C500-C503 CovalentContact SG-SG 2.05Å; C500-C503 PolarHBondContact SG-SG 3.42Å; C503-S505 PolarHBondContact O-N 2.88Å; C503-S505 VanDerWaalsContact O-N 3.15Å; C503-S505 PolarHBondContact SG-OG 3.2Å; C503-H516 PolarHBondContact SG-CE1 2.81Å; C503-H516 PolarHBondContact SG-NE2 2.9Å; C503-H521 WeakPolarHBondContact CB-NE2 3.4Å; C503-H521 PolarHBondContact SG-NE2 3.43Å
504	G	65.1	Low	62.6	Low	25 Å²	25	64 Å²	64	26%	0.258	34%	0.338	S	S	.	.			trans	74.7	-5.9	177.9	0	0	0	0	0	116.7	R499 C500	R499-G504 WeakPolarHBondContact CG-O 3.49Å; R499-G504 PolarHBondContact NE-O 3.31Å; C500-G504 VanDerWaalsContact O-CA 3.31Å; C500-G504 WeakPolarHBondContact O-CA 3.3Å; C500-G504 PolarHBondContact O-N 2.98Å
505	S	73.2	Confident	63.7	Low	35 Å²	35	68 Å²	68	25%	0.245	35%	0.35	C	S	.	.			trans	-63	131.9	179.8	71.5	0	0	0	0	112.4	R499 C500 C503 H507 H516	R499-S505 CarbonylContact C-O 3.57Å; R499-S505 WeakPolarHBondContact CA-O 3.48Å; C500-S505 VanDerWaalsContact CB-O 3.24Å; C500-S505 WeakPolarHBondContact CB-O 3.27Å; C500-S505 VanDerWaalsContact CB-OG 3.23Å; C500-S505 WeakPolarHBondContact CB-OG 3.47Å; C500-S505 PolarHBondContact N-O 3.03Å; C503-S505 PolarHBondContact O-N 2.88Å; C503-S505 VanDerWaalsContact O-N 3.15Å; C503-S505 PolarHBondContact SG-OG 3.2Å; S505-H507 PolarHBondContact O-CD2 3.44Å; S505-H507 PolarHBondContact OG-NE2 2.87Å; S505-H516 PolarHBondContact OG-CE1 2.64Å; S505-H516 PolarHBondContact OG-ND1 3.33Å
506	I	73.2	Confident	65	Low	47 Å²	47	63.7 Å²	63.7	24%	0.241	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	122.5	-174.5	-55.6	169.2	0	0	0	110.1	K78 L497 R499	K78-I506 PolarHBondContact NZ-O 3.02Å; L497-I506 HydrophobicContact CB-CG2 4.3Å; R499-I506 HydrophobicContact CG-CG1 4.19Å
507	H	76.1	Confident	65.9	Low	37 Å²	37	55.1 Å²	55.1	17%	0.171	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.9	-178	-66.2	-76.7	0	0	0	113.2	Y498 S505 D512 L513 H516	Y498-H507 WeakPolarHBondContact CB-O 3.33Å; Y498-H507 PolarHBondContact N-O 3.1Å; Y498-H507 WeakPolarHBondContact O-CB 3.49Å; Y498-H507 PolarHBondContact O-CD2 2.91Å; Y498-H507 PolarHBondContact O-N 3.17Å; S505-H507 PolarHBondContact O-CD2 3.44Å; S505-H507 PolarHBondContact OG-NE2 2.87Å; H507-D512 HydrophobicContact CB-CB 4.07Å; H507-L513 HydrophobicContact CB-CB 4.05Å; H507-H516 WeakPolarHBondContact CE1-CB 3.36Å; H507-H516 AromaticContact CE1-CG 3.4Å; H507-H516 AromaticContact CE1-ND1 3.02Å; H507-H516 PolarHBondContact CE1-ND1 3.47Å; H507-H516 WeakPolarHBondContact NE2-CB 3.18Å; H507-H516 AromaticContact NE2-CD2 3.05Å; H507-H516 PolarHBondContact NE2-CD2 2.84Å; H507-H516 AromaticContact NE2-CE1 3.75Å; H507-H516 AromaticContact NE2-CG 2.5Å; H507-H516 AromaticContact NE2-ND1 2.43Å; H507-H516 PolarHBondContact NE2-ND1 2.83Å
508	D	62.7	Low	66.8	Low	57 Å²	57	53.1 Å²	53.1	31%	0.305	28%	0.28	S	S	.	.	S	Bend	trans	-92	-12.1	-174.4	39.4	-54	0	0	0	115.8	L92	L92-D508 HydrophobicContact CD1-CB 3.27Å
509	S	66.6	Low	67.5	Low	28 Å²	28	55.2 Å²	55.2	20%	0.196	30%	0.295	C	S	.	.	S	Bend	trans	-145.9	169.8	168.2	80.7	0	0	0	0	113.2	Y498 S511 D512 L513	Y498-S509 VanDerWaalsContact CE2-C 3.44Å; S509-S511 PolarHBondContact O-N 3.12Å; S509-S511 PolarHBondContact OG-N 2.95Å; S509-D512 WeakPolarHBondContact CA-OD2 3.42Å; S509-D512 WeakPolarHBondContact CB-OD2 3.46Å; S509-D512 PolarHBondContact N-OD2 3.49Å; S509-D512 PolarHBondContact O-N 3.5Å; S509-D512 VanDerWaalsContact OG-CG 3.3Å; S509-D512 PolarHBondContact OG-N 3.27Å; S509-D512 PolarHBondContact OG-OD2 3.47Å; S509-L513 PolarHBondContact O-N 2.95Å
510	R	61.9	Low	67.8	Low	106 Å²	106	51 Å²	51	40%	0.4	29%	0.287	S	S	.	.	H	α-helix	trans	-59.1	-37.6	173.1	-167.5	-176.6	170.4	112	-3.1	110.9	F490 Y498 L513 Q514	F490-R510 HydrophobicContact CD1-CG 3.85Å; F490-R510 HydrophobicContact CE1-CB 4.39Å; F490-R510 HydrophobicContact CE1-CG 3.35Å; F490-R510 HydrophobicContact CE2-CG 4.4Å; F490-R510 VanDerWaalsContact CG-CZ 3.46Å; F490-R510 HydrophobicContact CZ-CG 3.69Å; F490-R510 WeakPolarHBondContact CZ-O 3.48Å; Y498-R510 HydrophobicContact CE1-CB 3.92Å; Y498-R510 HydrophobicContact CE1-CG 4.26Å; Y498-R510 VanDerWaalsContact CE2-N 3.33Å; R510-L513 PolarHBondContact O-N 2.83Å; R510-Q514 WeakPolarHBondContact O-CB 3.45Å; R510-Q514 PolarHBondContact O-N 3.05Å
511	S	73.1	Confident	67.4	Low	80 Å²	80	52.8 Å²	52.8	56%	0.559	30%	0.295	S	S	*	.	H	α-helix	trans	-66.5	-44.7	179.8	-56.9	0	0	0	0	111.9	S509 L513 Q514 E515	S509-S511 PolarHBondContact O-N 3.12Å; S509-S511 PolarHBondContact OG-N 2.95Å; S511-L513 VanDerWaalsContact C-N 3.3Å; S511-L513 PolarHBondContact O-N 3.23Å; S511-Q514 PolarHBondContact O-N 3.34Å; S511-E515 WeakPolarHBondContact O-CB 3.46Å; S511-E515 PolarHBondContact O-N 3.38Å
512	D	71.2	Confident	67.6	Low	51 Å²	51	60.5 Å²	60.5	27%	0.273	32%	0.321	S	S	.	.	H	α-helix	trans	-63.4	-37.6	178.3	-48.7	-68.7	0	0	0	110.9	H507 S509 H516	H507-D512 HydrophobicContact CB-CB 4.07Å; S509-D512 WeakPolarHBondContact CA-OD2 3.42Å; S509-D512 WeakPolarHBondContact CB-OD2 3.46Å; S509-D512 PolarHBondContact N-OD2 3.49Å; S509-D512 PolarHBondContact O-N 3.5Å; S509-D512 VanDerWaalsContact OG-CG 3.3Å; S509-D512 PolarHBondContact OG-N 3.27Å; S509-D512 PolarHBondContact OG-OD2 3.47Å; D512-H516 WeakPolarHBondContact O-CB 3.34Å; D512-H516 PolarHBondContact O-N 2.97Å
513	L	69.5	Low	67.4	Low	1 Å²	1	60.3 Å²	60.3	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-70.3	-30.9	172.6	-179.9	59.4	0	0	0	112.9	F490 Y498 C500 H507 S509 R510 S511 F517	F490-L513 HydrophobicContact CD1-CD2 4.31Å; F490-L513 HydrophobicContact CE1-CB 4.12Å; F490-L513 HydrophobicContact CE1-CD2 3.7Å; F490-L513 HydrophobicContact CE1-CG 3.93Å; F490-L513 HydrophobicContact CZ-CB 4.22Å; F490-L513 HydrophobicContact CZ-CD2 4.37Å; F490-L513 HydrophobicContact CZ-CG 4.12Å; Y498-L513 HydrophobicContact CD1-CD2 3.97Å; Y498-L513 HydrophobicContact CG-CB 4.5Å; Y498-L513 HydrophobicContact CG-CD2 4.37Å; C500-L513 HydrophobicContact CB-CD1 4.22Å; H507-L513 HydrophobicContact CB-CB 4.05Å; S509-L513 PolarHBondContact O-N 2.95Å; R510-L513 PolarHBondContact O-N 2.83Å; S511-L513 VanDerWaalsContact C-N 3.3Å; S511-L513 PolarHBondContact O-N 3.23Å; L513-F517 HydrophobicContact CD1-CD2 3.93Å; L513-F517 HydrophobicContact CD1-CE1 4.46Å; L513-F517 HydrophobicContact CD1-CE2 3.64Å; L513-F517 HydrophobicContact CD1-CG 4.48Å; L513-F517 HydrophobicContact CD1-CZ 3.92Å; L513-F517 HydrophobicContact CD2-CE2 3.77Å; L513-F517 HydrophobicContact CD2-CZ 4.37Å; L513-F517 HydrophobicContact CG-CD2 3.81Å; L513-F517 HydrophobicContact CG-CE2 3.54Å; L513-F517 HydrophobicContact CG-CZ 4.28Å; L513-F517 VanDerWaalsContact O-CD2 3.26Å; L513-F517 WeakPolarHBondContact O-CD2 3.45Å; L513-F517 PolarHBondContact O-N 2.97Å
514	Q	68	Low	66.7	Low	81 Å²	81	61.3 Å²	61.3	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-73.5	-42.8	178.8	-166	164.7	4.3	0	0	111.5	Q486 F490 R510 S511 H516 F517 A518	Q486-Q514 VanDerWaalsContact OE1-CG 3.3Å; F490-Q514 HydrophobicContact CE2-CB 3.87Å; F490-Q514 HydrophobicContact CE2-CG 3.94Å; F490-Q514 HydrophobicContact CZ-CB 3.75Å; F490-Q514 HydrophobicContact CZ-CG 4.35Å; R510-Q514 WeakPolarHBondContact O-CB 3.45Å; R510-Q514 PolarHBondContact O-N 3.05Å; S511-Q514 PolarHBondContact O-N 3.34Å; Q514-H516 VanDerWaalsContact C-N 3.35Å; Q514-F517 PolarHBondContact O-N 2.83Å; Q514-A518 WeakPolarHBondContact O-CB 3.49Å; Q514-A518 PolarHBondContact O-N 2.85Å
515	E	75.6	Confident	66.2	Low	121 Å²	121	64.9 Å²	64.9	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-59.1	-46	169.6	-177.8	173.3	-177.7	0	0	110.5	S511 F517 A518 I519	S511-E515 WeakPolarHBondContact O-CB 3.46Å; S511-E515 PolarHBondContact O-N 3.38Å; E515-F517 PolarHBondContact O-N 3.31Å; E515-A518 PolarHBondContact O-N 3.41Å; E515-I519 HydrophobicContact CG-CD1 3.69Å; E515-I519 WeakPolarHBondContact O-CB 3.48Å; E515-I519 WeakPolarHBondContact O-CG1 3.4Å; E515-I519 PolarHBondContact O-N 2.81Å
516	H	74.5	Confident	65.1	Low	24 Å²	24	66.9 Å²	66.9	11%	0.111	34%	0.339	C	S	.	.	H	α-helix	trans	-58.8	-45.8	173.8	177.2	92.2	0	0	0	113.3	C500 C503 S505 H507 D512 Q514 A518 I519 T520 H521	C500-H516 PolarHBondContact SG-NE2 2.94Å; C503-H516 PolarHBondContact SG-CE1 2.81Å; C503-H516 PolarHBondContact SG-NE2 2.9Å; S505-H516 PolarHBondContact OG-CE1 2.64Å; S505-H516 PolarHBondContact OG-ND1 3.33Å; H507-H516 WeakPolarHBondContact CE1-CB 3.36Å; H507-H516 AromaticContact CE1-CG 3.4Å; H507-H516 AromaticContact CE1-ND1 3.02Å; H507-H516 PolarHBondContact CE1-ND1 3.47Å; H507-H516 WeakPolarHBondContact NE2-CB 3.18Å; H507-H516 AromaticContact NE2-CD2 3.05Å; H507-H516 PolarHBondContact NE2-CD2 2.84Å; H507-H516 AromaticContact NE2-CE1 3.75Å; H507-H516 AromaticContact NE2-CG 2.5Å; H507-H516 AromaticContact NE2-ND1 2.43Å; H507-H516 PolarHBondContact NE2-ND1 2.83Å; D512-H516 WeakPolarHBondContact O-CB 3.34Å; D512-H516 PolarHBondContact O-N 2.97Å; Q514-H516 VanDerWaalsContact C-N 3.35Å; H516-A518 VanDerWaalsContact C-N 3.34Å; H516-A518 PolarHBondContact O-N 3.32Å; H516-I519 PolarHBondContact O-N 2.96Å; H516-T520 WeakPolarHBondContact CE1-CG2 3.27Å; H516-T520 PolarHBondContact CE1-OG1 2.84Å; H516-T520 WeakPolarHBondContact O-CA 3.33Å; H516-T520 VanDerWaalsContact O-CB 3.27Å; H516-T520 WeakPolarHBondContact O-CB 3.38Å; H516-T520 PolarHBondContact O-N 3.41Å; H516-T520 PolarHBondContact O-OG1 3.09Å; H516-H521 AromaticContact CD2-CD2 3.66Å; H516-H521 AromaticContact CD2-NE2 3.96Å; H516-H521 AromaticContact NE2-CD2 2.38Å; H516-H521 PolarHBondContact NE2-CD2 2.75Å; H516-H521 AromaticContact NE2-CE1 3.32Å; H516-H521 PolarHBondContact NE2-CE1 2.84Å; H516-H521 VanDerWaalsContact NE2-CE1 3.32Å; H516-H521 AromaticContact NE2-CG 3.69Å; H516-H521 AromaticContact NE2-NE2 2.02Å; H516-H521 PolarHBondContact NE2-NE2 2.82Å
517	F	64.3	Low	64.6	Low	8 Å²	8	68.8 Å²	68.8	4%	0.035	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-41.1	177	-80.8	-51.4	0	0	0	111.7	L489 F490 L502 L513 Q514 E515 H521	L489-F517 HydrophobicContact CB-CD2 4.46Å; L489-F517 HydrophobicContact CB-CE1 4.33Å; L489-F517 HydrophobicContact CB-CE2 3.83Å; L489-F517 HydrophobicContact CB-CZ 3.77Å; L489-F517 HydrophobicContact CD1-CD1 3.86Å; L489-F517 HydrophobicContact CD1-CE1 3.79Å; L489-F517 HydrophobicContact CD1-CE2 4.44Å; L489-F517 HydrophobicContact CD1-CG 4.25Å; L489-F517 HydrophobicContact CD1-CZ 4.1Å; L489-F517 HydrophobicContact CD2-CE1 4.4Å; L489-F517 HydrophobicContact CD2-CZ 4.42Å; L489-F517 HydrophobicContact CG-CE1 4.4Å; L489-F517 HydrophobicContact CG-CZ 4.31Å; F490-F517 HydrophobicContact CE2-CD2 4.42Å; F490-F517 HydrophobicContact CZ-CD2 4.38Å; L502-F517 HydrophobicContact CD1-CD1 4.48Å; L502-F517 HydrophobicContact CD1-CE1 4.2Å; L502-F517 HydrophobicContact CG-CE1 4.49Å; L513-F517 HydrophobicContact CD1-CD2 3.93Å; L513-F517 HydrophobicContact CD1-CE1 4.46Å; L513-F517 HydrophobicContact CD1-CE2 3.64Å; L513-F517 HydrophobicContact CD1-CG 4.48Å; L513-F517 HydrophobicContact CD1-CZ 3.92Å; L513-F517 HydrophobicContact CD2-CE2 3.77Å; L513-F517 HydrophobicContact CD2-CZ 4.37Å; L513-F517 HydrophobicContact CG-CD2 3.81Å; L513-F517 HydrophobicContact CG-CE2 3.54Å; L513-F517 HydrophobicContact CG-CZ 4.28Å; L513-F517 VanDerWaalsContact O-CD2 3.26Å; L513-F517 WeakPolarHBondContact O-CD2 3.45Å; L513-F517 PolarHBondContact O-N 2.97Å; Q514-F517 PolarHBondContact O-N 2.83Å; E515-F517 PolarHBondContact O-N 3.31Å; F517-H521 HydrophobicContact CD1-CB 4.19Å; F517-H521 CarbonylContact O-C 3.56Å; F517-H521 PolarHBondContact O-N 3.12Å; F517-H521 VanDerWaalsContact O-N 3.15Å
518	A	67.3	Low	64	Low	51 Å²	51	67.2 Å²	67.2	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-66.9	-36.9	179.3	0	0	0	0	0	113.5	Q514 E515 H516	Q514-A518 WeakPolarHBondContact O-CB 3.49Å; Q514-A518 PolarHBondContact O-N 2.85Å; E515-A518 PolarHBondContact O-N 3.41Å; H516-A518 VanDerWaalsContact C-N 3.34Å; H516-A518 PolarHBondContact O-N 3.32Å
519	I	68.2	Low	64.3	Low	126 Å²	126	68 Å²	68	65%	0.646	34%	0.335	S	S	*	.	H	α-helix	trans	-87.9	-40.8	-177.4	-64	173.7	0	0	0	112.1	E515 H516	E515-I519 HydrophobicContact CG-CD1 3.69Å; E515-I519 WeakPolarHBondContact O-CB 3.48Å; E515-I519 WeakPolarHBondContact O-CG1 3.4Å; E515-I519 PolarHBondContact O-N 2.81Å; H516-I519 PolarHBondContact O-N 2.96Å
520	T	61.8	Low	64.7	Low	71 Å²	71	66.7 Å²	66.7	44%	0.436	33%	0.326	S	S	.	.	H	α-helix	trans	-107	-14.9	-165.8	-38.1	0	0	0	0	114	H516	H516-T520 WeakPolarHBondContact CE1-CG2 3.27Å; H516-T520 PolarHBondContact CE1-OG1 2.84Å; H516-T520 WeakPolarHBondContact O-CA 3.33Å; H516-T520 VanDerWaalsContact O-CB 3.27Å; H516-T520 WeakPolarHBondContact O-CB 3.38Å; H516-T520 PolarHBondContact O-N 3.41Å; H516-T520 PolarHBondContact O-OG1 3.09Å
521	H	60.4	Low	65.2	Low	38 Å²	38	68.8 Å²	68.8	18%	0.176	33%	0.334	C	S	.	.			trans	-133	44.8	-176.9	-64.5	-58.8	0	0	0	113.9	C500 L502 C503 H516 F517 S523	C500-H521 PolarHBondContact SG-NE2 3.27Å; L502-H521 WeakPolarHBondContact CB-ND1 3.3Å; L502-H521 HydrophobicContact CD1-CB 3.63Å; C503-H521 WeakPolarHBondContact CB-NE2 3.4Å; C503-H521 PolarHBondContact SG-NE2 3.43Å; H516-H521 AromaticContact CD2-CD2 3.66Å; H516-H521 AromaticContact CD2-NE2 3.96Å; H516-H521 AromaticContact NE2-CD2 2.38Å; H516-H521 PolarHBondContact NE2-CD2 2.75Å; H516-H521 AromaticContact NE2-CE1 3.32Å; H516-H521 PolarHBondContact NE2-CE1 2.84Å; H516-H521 VanDerWaalsContact NE2-CE1 3.32Å; H516-H521 AromaticContact NE2-CG 3.69Å; H516-H521 AromaticContact NE2-NE2 2.02Å; H516-H521 PolarHBondContact NE2-NE2 2.82Å; F517-H521 HydrophobicContact CD1-CB 4.19Å; F517-H521 CarbonylContact O-C 3.56Å; F517-H521 PolarHBondContact O-N 3.12Å; F517-H521 VanDerWaalsContact O-N 3.15Å; H521-S523 PolarHBondContact O-N 3.41Å; H521-S523 PolarHBondContact O-OG 3.47Å
522	R	61.9	Low	65.1	Low	180 Å²	180	68.5 Å²	68.5	68%	0.679	33%	0.332	S	S	*	.			trans	-71.8	75	176.9	-166.7	170.4	-179.9	-161.8	-15.4	111.8	E524	R522-E524 VanDerWaalsContact C-N 3.25Å; R522-E524 HydrophobicContact CG-CG 4.37Å; R522-E524 IonicContact CZ-OE1 3.44Å; R522-E524 VanDerWaalsContact CZ-OE1 3.31Å; R522-E524 IonicContact CZ-OE2 3.69Å; R522-E524 VanDerWaalsContact NE-CD 3.33Å; R522-E524 IonicContact NE-OE1 3.51Å; R522-E524 PolarHBondContact NE-OE1 3.23Å; R522-E524 IonicContact NE-OE2 2.96Å; R522-E524 PolarHBondContact NE-OE2 3.37Å; R522-E524 VanDerWaalsContact NH2-CD 3.34Å; R522-E524 IonicContact NH2-OE1 2.65Å; R522-E524 PolarHBondContact NH2-OE1 3.5Å; R522-E524 IonicContact NH2-OE2 3.65Å; R522-E524 PolarHBondContact NH2-OE2 3.13Å; R522-E524 PolarHBondContact O-N 3.49Å; R522-E524 VanDerWaalsContact O-N 3.08Å
523	S	53	Low	65.3	Low	42 Å²	42	68.9 Å²	68.9	29%	0.294	34%	0.338	S	S	.	.			trans	-83.6	56.3	-178	45.7	0	0	0	0	112.7	L485 H521 Q525	L485-S523 WeakPolarHBondContact CD2-OG 3.29Å; H521-S523 PolarHBondContact O-N 3.41Å; H521-S523 PolarHBondContact O-OG 3.47Å; S523-Q525 PolarHBondContact O-N 2.86Å
524	E	53	Low	65.2	Low	78 Å²	78	73.1 Å²	73.1	36%	0.364	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	97.3	173.1	-78.9	167.2	-150.6	0	0	110.2	F470 R522	F470-E524 HydrophobicContact CD1-CG 4.15Å; F470-E524 HydrophobicContact CE1-CG 3.43Å; F470-E524 VanDerWaalsContact CE1-CG 3.43Å; F470-E524 HydrophobicContact CZ-CG 3.93Å; R522-E524 VanDerWaalsContact C-N 3.25Å; R522-E524 HydrophobicContact CG-CG 4.37Å; R522-E524 IonicContact CZ-OE1 3.44Å; R522-E524 VanDerWaalsContact CZ-OE1 3.31Å; R522-E524 IonicContact CZ-OE2 3.69Å; R522-E524 VanDerWaalsContact NE-CD 3.33Å; R522-E524 IonicContact NE-OE1 3.51Å; R522-E524 PolarHBondContact NE-OE1 3.23Å; R522-E524 IonicContact NE-OE2 2.96Å; R522-E524 PolarHBondContact NE-OE2 3.37Å; R522-E524 VanDerWaalsContact NH2-CD 3.34Å; R522-E524 IonicContact NH2-OE1 2.65Å; R522-E524 PolarHBondContact NH2-OE1 3.5Å; R522-E524 IonicContact NH2-OE2 3.65Å; R522-E524 PolarHBondContact NH2-OE2 3.13Å; R522-E524 PolarHBondContact O-N 3.49Å; R522-E524 VanDerWaalsContact O-N 3.08Å
525	Q	54	Low	65.4	Low	100 Å²	100	70.8 Å²	70.8	47%	0.467	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	110.1	159.3	-73.2	-162.2	1.4	0	0	108.7	H469 S523	H469-Q525 PolarHBondContact CE1-O 2.84Å; H469-Q525 PolarHBondContact N-O 3.16Å; H469-Q525 PolarHBondContact ND1-O 2.8Å; H469-Q525 VanDerWaalsContact ND1-O 3.12Å; S523-Q525 PolarHBondContact O-N 2.86Å
526	L	50.5	Low	65.3	Low	77 Å²	77	68.3 Å²	68.3	40%	0.403	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.7	166.6	-67.7	171.3	0	0	0	108.2
527	R	62.6	Low	65.3	Low	87 Å²	87	68.9 Å²	68.9	33%	0.328	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	140.7	162.4	-90.7	171.7	-151.9	165.9	18.7	109.8	E467 H469 V536 F537 N538	E467-R527 PolarHBondContact N-O 3.1Å; E467-R527 PolarHBondContact O-N 2.63Å; H469-R527 WeakPolarHBondContact CE1-CD 3.47Å; H469-R527 VanDerWaalsContact CE1-CG 3.46Å; H469-R527 WeakPolarHBondContact CE1-CG 3.46Å; H469-R527 PolarHBondContact CE1-NE 3.22Å; H469-R527 PolarHBondContact NE2-NE 3.47Å; H469-R527 PolarHBondContact NE2-NH2 2.95Å; R527-V536 HydrophobicContact CB-CG1 3.83Å; R527-V536 HydrophobicContact CG-CG1 3.84Å; R527-F537 WeakPolarHBondContact CA-O 3.34Å; R527-N538 WeakPolarHBondContact CG-OD1 3.4Å; R527-N538 PolarHBondContact NE-OD1 2.77Å; R527-N538 VanDerWaalsContact NE-OD1 3.12Å
528	H	63	Low	65.3	Low	5 Å²	5	73.7 Å²	73.7	2%	0.023	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	102.4	-173.9	-50.3	-103.4	0	0	0	105.2	L464 F537 D540 F543	L464-H528 HydrophobicContact CD1-CB 4.25Å; H528-F537 HydrophobicContact CB-CB 4.42Å; H528-F537 PolarHBondContact N-O 2.75Å; H528-F537 WeakPolarHBondContact O-CD2 3.08Å; H528-F537 PolarHBondContact O-N 2.77Å; H528-D540 IonicContact CE1-OD1 3.56Å; H528-D540 PolarHBondContact CE1-OD1 3.17Å; H528-D540 IonicContact CE1-OD2 3.48Å; H528-D540 PolarHBondContact CE1-OD2 2.97Å; H528-D540 IonicContact CG-OD1 3.02Å; H528-D540 VanDerWaalsContact ND1-CG 3.27Å; H528-D540 IonicContact ND1-OD1 2.72Å; H528-D540 PolarHBondContact ND1-OD1 3.18Å; H528-D540 IonicContact ND1-OD2 2.78Å; H528-F543 HydrophobicContact CB-CB 3.53Å; H528-F543 HydrophobicContact CB-CD2 4.06Å; H528-F543 HydrophobicContact CB-CG 3.82Å
529	R	71	Confident	65.5	Low	73 Å²	73	72.9 Å²	72.9	28%	0.275	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.3	-178.3	175.7	179.8	175.1	170.9	1.8	109.3	Q465 E467 R531 N534 A535 V536	Q465-R529 HydrophobicContact CB-CB 4.11Å; Q465-R529 HydrophobicContact CB-CG 4.46Å; Q465-R529 WeakPolarHBondContact CB-O 3.38Å; Q465-R529 HydrophobicContact CG-CB 4.47Å; Q465-R529 PolarHBondContact N-O 2.91Å; Q465-R529 WeakPolarHBondContact O-CB 3.46Å; Q465-R529 PolarHBondContact O-N 3.33Å; E467-R529 VanDerWaalsContact CD-CD 3.46Å; E467-R529 WeakPolarHBondContact OE1-CD 3.47Å; E467-R529 IonicContact OE1-CZ 2.68Å; E467-R529 IonicContact OE1-NE 3.66Å; E467-R529 IonicContact OE1-NH1 2.77Å; E467-R529 PolarHBondContact OE1-NH1 3.33Å; E467-R529 WeakPolarHBondContact OE2-CD 3.42Å; E467-R529 IonicContact OE2-NH1 2.85Å; R529-R531 PolarHBondContact O-N 3.36Å; R529-N534 VanDerWaalsContact CZ-OD1 3.29Å; R529-N534 PolarHBondContact NE-OD1 3.32Å; R529-N534 PolarHBondContact NH2-OD1 3.29Å; R529-A535 CarbonylContact C-O 3.59Å; R529-A535 WeakPolarHBondContact CA-O 3.44Å; R529-V536 HydrophobicContact CB-CG2 4.32Å; R529-V536 HydrophobicContact CG-CG2 4.19Å
530	C	74.4	Confident	65.5	Low	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	119.6	171.9	179.9	0	0	0	0	110.8	Y463 S532 C533 N534 A535 F543 H546 H551	Y463-C530 CarbonylContact O-C 3.43Å; Y463-C530 WeakPolarHBondContact O-CA 3.43Å; C530-S532 VanDerWaalsContact C-N 3.27Å; C530-S532 PolarHBondContact O-N 3Å; C530-S532 PolarHBondContact SG-N 3.43Å; C530-S532 VanDerWaalsContact SG-N 3.42Å; C530-C533 VanDerWaalsContact SG-SG 3.65Å; C530-N534 VanDerWaalsContact O-CA 3.22Å; C530-N534 WeakPolarHBondContact O-CA 3.24Å; C530-N534 PolarHBondContact O-N 3.03Å; C530-A535 PolarHBondContact N-O 2.86Å; C530-F543 HydrophobicContact CB-CE2 4.5Å; C530-H546 WeakPolarHBondContact CB-NE2 3.32Å; C530-H546 PolarHBondContact SG-NE2 3.18Å; C530-H551 PolarHBondContact SG-NE2 3.27Å
531	R	71.1	Confident	66.1	Low	151 Å²	151	74 Å²	74	57%	0.57	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-42.5	174.3	-167.2	81.7	87	163.5	17.7	112.6	H462 Y463 R529	H462-R531 WeakPolarHBondContact O-CB 3.46Å; Y463-R531 PolarHBondContact O-N 3.15Å; R529-R531 PolarHBondContact O-N 3.36Å
532	S	72.5	Confident	66.7	Low	73 Å²	73	77 Å²	77	51%	0.51	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.7	-169.5	-56.5	0	0	0	0	115.4	Y463 C530	Y463-S532 VanDerWaalsContact CD1-OG 3.27Å; Y463-S532 WeakPolarHBondContact CD1-OG 3.19Å; Y463-S532 WeakPolarHBondContact CE1-OG 3.49Å; C530-S532 VanDerWaalsContact C-N 3.27Å; C530-S532 PolarHBondContact O-N 3Å; C530-S532 PolarHBondContact SG-N 3.43Å; C530-S532 VanDerWaalsContact SG-N 3.42Å
533	C	74.9	Confident	67.5	Low	60 Å²	60	68.4 Å²	68.4	41%	0.405	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.4	0.7	175.8	74.2	0	0	0	0	115.3	C530 A535 H546	C530-C533 VanDerWaalsContact SG-SG 3.65Å; C533-A535 PolarHBondContact O-N 3.25Å; C533-A535 VanDerWaalsContact O-N 3.09Å; C533-A535 VanDerWaalsContact SG-CB 3.53Å; C533-H546 PolarHBondContact SG-CE1 2.99Å; C533-H546 PolarHBondContact SG-NE2 3.2Å
534	N	66.2	Low	68.5	Low	89 Å²	89	69.3 Å²	69.3	48%	0.476	35%	0.352	S	S	.	.			trans	59.5	8.8	-176	-64.6	-63.3	0	0	0	116.7	R529 C530 V536	R529-N534 VanDerWaalsContact CZ-OD1 3.29Å; R529-N534 PolarHBondContact NE-OD1 3.32Å; R529-N534 PolarHBondContact NH2-OD1 3.29Å; C530-N534 VanDerWaalsContact O-CA 3.22Å; C530-N534 WeakPolarHBondContact O-CA 3.24Å; C530-N534 PolarHBondContact O-N 3.03Å; N534-V536 WeakPolarHBondContact O-CG2 3.35Å
535	A	73.3	Confident	69.7	Low	33 Å²	33	68.3 Å²	68.3	27%	0.273	36%	0.357	S	S	.	.			trans	-60.7	137.7	170.3	0	0	0	0	0	110.9	R529 C530 C533 F537	R529-A535 CarbonylContact C-O 3.59Å; R529-A535 WeakPolarHBondContact CA-O 3.44Å; C530-A535 PolarHBondContact N-O 2.86Å; C533-A535 PolarHBondContact O-N 3.25Å; C533-A535 VanDerWaalsContact O-N 3.09Å; C533-A535 VanDerWaalsContact SG-CB 3.53Å; A535-F537 HydrophobicContact CB-CE2 3.67Å; A535-F537 HydrophobicContact CB-CZ 3.5Å; A535-F537 VanDerWaalsContact CB-CZ 3.5Å
536	V	72.6	Confident	70.9	Confident	69 Å²	69	65.1 Å²	65.1	42%	0.418	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.6	-173.3	-174.2	0	0	0	0	110.2	R527 R529 N534	R527-V536 HydrophobicContact CB-CG1 3.83Å; R527-V536 HydrophobicContact CG-CG1 3.84Å; R529-V536 HydrophobicContact CB-CG2 4.32Å; R529-V536 HydrophobicContact CG-CG2 4.19Å; N534-V536 WeakPolarHBondContact O-CG2 3.35Å
537	F	76	Confident	72.2	Confident	36 Å²	36	61.5 Å²	61.5	16%	0.158	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.7	-175.2	-54.1	-77.5	0	0	0	111.1	R527 H528 A535 Q542 F543 H546	R527-F537 WeakPolarHBondContact CA-O 3.34Å; H528-F537 HydrophobicContact CB-CB 4.42Å; H528-F537 PolarHBondContact N-O 2.75Å; H528-F537 WeakPolarHBondContact O-CD2 3.08Å; H528-F537 PolarHBondContact O-N 2.77Å; A535-F537 HydrophobicContact CB-CE2 3.67Å; A535-F537 HydrophobicContact CB-CZ 3.5Å; A535-F537 VanDerWaalsContact CB-CZ 3.5Å; F537-Q542 HydrophobicContact CB-CB 3.86Å; F537-Q542 HydrophobicContact CD1-CB 3.89Å; F537-Q542 HydrophobicContact CG-CB 4.17Å; F537-F543 HydrophobicContact CB-CB 4.02Å; F537-F543 HydrophobicContact CD2-CB 3.78Å; F537-F543 HydrophobicContact CD2-CD2 4.13Å; F537-F543 HydrophobicContact CD2-CG 4.47Å; F537-F543 HydrophobicContact CG-CB 4.1Å; F537-H546 HydrophobicContact CD2-CB 4.45Å; F537-H546 HydrophobicContact CE1-CB 3.87Å; F537-H546 HydrophobicContact CE2-CB 3.64Å; F537-H546 AromaticContact CE2-CD2 3.58Å; F537-H546 AromaticContact CE2-CG 3.48Å; F537-H546 VanDerWaalsContact CE2-CG 3.48Å; F537-H546 HydrophobicContact CZ-CB 3.29Å; F537-H546 AromaticContact CZ-CD2 3.83Å; F537-H546 AromaticContact CZ-CG 3.24Å; F537-H546 AromaticContact CZ-ND1 3.65Å
538	N	63.2	Low	72.7	Confident	109 Å²	109	60.9 Å²	60.9	58%	0.583	32%	0.324	S	S	*	.	S	Bend	trans	-97.4	6.6	-175.8	-64.9	-41.1	0	0	0	113.3	R527	R527-N538 WeakPolarHBondContact CG-OD1 3.4Å; R527-N538 PolarHBondContact NE-OD1 2.77Å; R527-N538 VanDerWaalsContact NE-OD1 3.12Å
539	A	72	Confident	73.1	Confident	34 Å²	34	65.2 Å²	65.2	28%	0.281	35%	0.351	S	S	.	.	S	Bend	trans	-152	149.2	174.9	0	0	0	0	0	109.6	E541 Q542 F543	A539-E541 VanDerWaalsContact C-N 3.32Å; A539-E541 PolarHBondContact O-N 3.17Å; A539-Q542 HydrophobicContact CB-CG 4.37Å; A539-Q542 PolarHBondContact O-N 3.12Å; A539-F543 PolarHBondContact O-N 3.42Å
540	D	67.5	Low	73	Confident	61 Å²	61	63.1 Å²	63.1	33%	0.326	35%	0.349	S	S	.	.	H	α-helix	trans	-55.2	-46.5	175.4	-88.8	-55.5	0	0	0	110.6	H528 Q542 F543 L544	H528-D540 IonicContact CE1-OD1 3.56Å; H528-D540 PolarHBondContact CE1-OD1 3.17Å; H528-D540 IonicContact CE1-OD2 3.48Å; H528-D540 PolarHBondContact CE1-OD2 2.97Å; H528-D540 IonicContact CG-OD1 3.02Å; H528-D540 VanDerWaalsContact ND1-CG 3.27Å; H528-D540 IonicContact ND1-OD1 2.72Å; H528-D540 PolarHBondContact ND1-OD1 3.18Å; H528-D540 IonicContact ND1-OD2 2.78Å; D540-Q542 VanDerWaalsContact C-N 3.28Å; D540-Q542 PolarHBondContact O-N 3.13Å; D540-Q542 VanDerWaalsContact O-N 3.16Å; D540-F543 CarbonylContact O-C 3.59Å; D540-F543 WeakPolarHBondContact O-CA 3.23Å; D540-F543 WeakPolarHBondContact O-CB 3.27Å; D540-F543 PolarHBondContact O-N 2.95Å; D540-L544 HydrophobicContact CB-CD1 4.49Å; D540-L544 VanDerWaalsContact O-CG 3.25Å; D540-L544 WeakPolarHBondContact O-CG 3.34Å; D540-L544 PolarHBondContact O-N 3.15Å
541	E	74.8	Confident	73	Confident	158 Å²	158	64.6 Å²	64.6	74%	0.738	36%	0.355	S	S	*	.	H	α-helix	trans	-50.9	-42.6	179.3	-63.3	-179.7	168.9	0	0	114.1	A539 L544 A545	A539-E541 VanDerWaalsContact C-N 3.32Å; A539-E541 PolarHBondContact O-N 3.17Å; E541-L544 PolarHBondContact O-N 3.46Å; E541-A545 WeakPolarHBondContact O-CB 3.25Å; E541-A545 PolarHBondContact O-N 3.08Å
542	Q	74	Confident	72.7	Confident	101 Å²	101	58.6 Å²	58.6	47%	0.472	33%	0.334	S	S	.	.	H	α-helix	trans	-69.7	-37.7	-179.9	-68	174.4	2.7	0	0	111.5	F537 A539 D540 H546	F537-Q542 HydrophobicContact CB-CB 3.86Å; F537-Q542 HydrophobicContact CD1-CB 3.89Å; F537-Q542 HydrophobicContact CG-CB 4.17Å; A539-Q542 HydrophobicContact CB-CG 4.37Å; A539-Q542 PolarHBondContact O-N 3.12Å; D540-Q542 VanDerWaalsContact C-N 3.28Å; D540-Q542 PolarHBondContact O-N 3.13Å; D540-Q542 VanDerWaalsContact O-N 3.16Å; Q542-H546 WeakPolarHBondContact O-CB 3.43Å; Q542-H546 PolarHBondContact O-N 3Å
543	F	78.4	Confident	72	Confident	1 Å²	1	61 Å²	61	0%	0.004	34%	0.342	C	S	.	.	H	α-helix	trans	-68	-42.4	173.1	163.4	-88.3	0	0	0	111.8	Y463 L464 H528 C530 F537 A539 D540 H546 V547	Y463-F543 WeakPolarHBondContact O-CE2 3.44Å; L464-F543 VanDerWaalsContact CA-CZ 3.43Å; L464-F543 HydrophobicContact CB-CE1 3.95Å; L464-F543 HydrophobicContact CB-CE2 4.3Å; L464-F543 HydrophobicContact CB-CZ 3.53Å; L464-F543 HydrophobicContact CD1-CD1 3.96Å; L464-F543 HydrophobicContact CD1-CD2 4.29Å; L464-F543 HydrophobicContact CD1-CE1 3.66Å; L464-F543 HydrophobicContact CD1-CE2 3.99Å; L464-F543 HydrophobicContact CD1-CG 4.28Å; L464-F543 HydrophobicContact CD1-CZ 3.68Å; L464-F543 HydrophobicContact CG-CE1 4.26Å; L464-F543 HydrophobicContact CG-CZ 4.17Å; H528-F543 HydrophobicContact CB-CB 3.53Å; H528-F543 HydrophobicContact CB-CD2 4.06Å; H528-F543 HydrophobicContact CB-CG 3.82Å; C530-F543 HydrophobicContact CB-CE2 4.5Å; F537-F543 HydrophobicContact CB-CB 4.02Å; F537-F543 HydrophobicContact CD2-CB 3.78Å; F537-F543 HydrophobicContact CD2-CD2 4.13Å; F537-F543 HydrophobicContact CD2-CG 4.47Å; F537-F543 HydrophobicContact CG-CB 4.1Å; A539-F543 PolarHBondContact O-N 3.42Å; D540-F543 CarbonylContact O-C 3.59Å; D540-F543 WeakPolarHBondContact O-CA 3.23Å; D540-F543 WeakPolarHBondContact O-CB 3.27Å; D540-F543 PolarHBondContact O-N 2.95Å; F543-H546 WeakPolarHBondContact O-CB 3.35Å; F543-H546 PolarHBondContact O-N 3.25Å; F543-V547 HydrophobicContact CD1-CG2 4.38Å; F543-V547 HydrophobicContact CD2-CG2 4.24Å; F543-V547 HydrophobicContact CE1-CG2 3.84Å; F543-V547 HydrophobicContact CE2-CG2 3.71Å; F543-V547 HydrophobicContact CZ-CG2 3.47Å; F543-V547 VanDerWaalsContact CZ-CG2 3.47Å; F543-V547 WeakPolarHBondContact O-CG2 3.46Å; F543-V547 PolarHBondContact O-N 3.21Å
544	L	73	Confident	70.8	Confident	60 Å²	60	65.8 Å²	65.8	31%	0.314	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-49.1	177.7	-65.2	170.8	0	0	0	110.4	M460 D540 E541 H546 V547 H548	M460-L544 HydrophobicContact CE-CD2 3.76Å; M460-L544 HydrophobicContact CG-CD2 4Å; M460-L544 HydrophobicContact SD-CD2 3.35Å; M460-L544 WeakPolarHBondContact SD-CD2 3.42Å; D540-L544 HydrophobicContact CB-CD1 4.49Å; D540-L544 VanDerWaalsContact O-CG 3.25Å; D540-L544 WeakPolarHBondContact O-CG 3.34Å; D540-L544 PolarHBondContact O-N 3.15Å; E541-L544 PolarHBondContact O-N 3.46Å; L544-H546 VanDerWaalsContact C-N 3.3Å; L544-H546 PolarHBondContact O-N 3.19Å; L544-V547 PolarHBondContact O-N 3.24Å; L544-V547 VanDerWaalsContact O-N 3.11Å; L544-H548 PolarHBondContact O-CD2 3.44Å; L544-H548 VanDerWaalsContact O-CD2 3.3Å; L544-H548 PolarHBondContact O-N 3.18Å
545	A	78.2	Confident	69.8	Low	57 Å²	57	65.9 Å²	65.9	47%	0.471	36%	0.359	S	S	.	.	H	α-helix	trans	-57.4	-42.8	174.4	0	0	0	0	0	112.1	E541 V549	E541-A545 WeakPolarHBondContact O-CB 3.25Å; E541-A545 PolarHBondContact O-N 3.08Å; A545-V549 WeakPolarHBondContact O-CB 3.44Å; A545-V549 VanDerWaalsContact O-CG2 3.3Å; A545-V549 WeakPolarHBondContact O-CG2 3.25Å; A545-V549 PolarHBondContact O-N 3.29Å; A545-V549 VanDerWaalsContact O-N 3.08Å
546	H	80.6	Confident	67.8	Low	34 Å²	34	67.2 Å²	67.2	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-46.7	173	165.6	74.3	0	0	0	112.6	C530 C533 F537 Q542 F543 L544 V549 A550 H551	C530-H546 WeakPolarHBondContact CB-NE2 3.32Å; C530-H546 PolarHBondContact SG-NE2 3.18Å; C533-H546 PolarHBondContact SG-CE1 2.99Å; C533-H546 PolarHBondContact SG-NE2 3.2Å; F537-H546 HydrophobicContact CD2-CB 4.45Å; F537-H546 HydrophobicContact CE1-CB 3.87Å; F537-H546 HydrophobicContact CE2-CB 3.64Å; F537-H546 AromaticContact CE2-CD2 3.58Å; F537-H546 AromaticContact CE2-CG 3.48Å; F537-H546 VanDerWaalsContact CE2-CG 3.48Å; F537-H546 HydrophobicContact CZ-CB 3.29Å; F537-H546 AromaticContact CZ-CD2 3.83Å; F537-H546 AromaticContact CZ-CG 3.24Å; F537-H546 AromaticContact CZ-ND1 3.65Å; Q542-H546 WeakPolarHBondContact O-CB 3.43Å; Q542-H546 PolarHBondContact O-N 3Å; F543-H546 WeakPolarHBondContact O-CB 3.35Å; F543-H546 PolarHBondContact O-N 3.25Å; L544-H546 VanDerWaalsContact C-N 3.3Å; L544-H546 PolarHBondContact O-N 3.19Å; H546-V549 PolarHBondContact O-N 2.75Å; H546-A550 VanDerWaalsContact CE1-CB 3.42Å; H546-A550 WeakPolarHBondContact CE1-CB 3.24Å; H546-A550 VanDerWaalsContact O-CB 3.22Å; H546-A550 WeakPolarHBondContact O-CB 3.35Å; H546-A550 PolarHBondContact O-N 2.81Å; H546-H551 AromaticContact CE1-NE2 3.75Å; H546-H551 AromaticContact NE2-CD2 3.83Å; H546-H551 AromaticContact NE2-NE2 3.09Å; H546-H551 PolarHBondContact NE2-NE2 2.99Å
547	V	76.2	Confident	66	Low	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-63.2	-44.8	-178	167	0	0	0	0	111.3	M460 Y463 F543 L544 V549 H551 L552	M460-V547 HydrophobicContact CG-CG1 4.38Å; Y463-V547 HydrophobicContact CD2-CG1 3.64Å; Y463-V547 HydrophobicContact CD2-CG2 4.5Å; Y463-V547 HydrophobicContact CE2-CG1 4.29Å; Y463-V547 HydrophobicContact CG-CG1 4.15Å; Y463-V547 HydrophobicContact CG-CG2 4.22Å; F543-V547 HydrophobicContact CD1-CG2 4.38Å; F543-V547 HydrophobicContact CD2-CG2 4.24Å; F543-V547 HydrophobicContact CE1-CG2 3.84Å; F543-V547 HydrophobicContact CE2-CG2 3.71Å; F543-V547 HydrophobicContact CZ-CG2 3.47Å; F543-V547 VanDerWaalsContact CZ-CG2 3.47Å; F543-V547 WeakPolarHBondContact O-CG2 3.46Å; F543-V547 PolarHBondContact O-N 3.21Å; L544-V547 PolarHBondContact O-N 3.24Å; L544-V547 VanDerWaalsContact O-N 3.11Å; V547-V549 PolarHBondContact O-N 3.22Å; V547-H551 PolarHBondContact O-N 2.92Å; V547-L552 HydrophobicContact CG1-CD1 4.04Å; V547-L552 HydrophobicContact CG1-CD2 4.07Å; V547-L552 HydrophobicContact CG1-CG 3.84Å; V547-L552 PolarHBondContact O-N 3.24Å
548	H	73.9	Confident	63.9	Low	74 Å²	74	78 Å²	78	34%	0.343	43%	0.432	S	S	.	.	H	α-helix	trans	-57.6	-49.4	174	-84.2	-98.5	0	0	0	112.2	M460 L544 N553	M460-H548 WeakPolarHBondContact CE-NE2 3.14Å; L544-H548 PolarHBondContact O-CD2 3.44Å; L544-H548 VanDerWaalsContact O-CD2 3.3Å; L544-H548 PolarHBondContact O-N 3.18Å; H548-N553 WeakPolarHBondContact O-CB 3.4Å; H548-N553 PolarHBondContact O-N 3.17Å; H548-N553 PolarHBondContact O-ND2 3.45Å
549	V	72.1	Confident	62.3	Low	97 Å²	97	78.2 Å²	78.2	59%	0.588	44%	0.442	S	S	*	.	H	α-helix	trans	-73.8	-41.5	-174.6	173.6	0	0	0	0	113.1	A545 H546 V547	A545-V549 WeakPolarHBondContact O-CB 3.44Å; A545-V549 VanDerWaalsContact O-CG2 3.3Å; A545-V549 WeakPolarHBondContact O-CG2 3.25Å; A545-V549 PolarHBondContact O-N 3.29Å; A545-V549 VanDerWaalsContact O-N 3.08Å; H546-V549 PolarHBondContact O-N 2.75Å; V547-V549 PolarHBondContact O-N 3.22Å
550	A	67.9	Low	60.6	Low	28 Å²	28	81.6 Å²	81.6	23%	0.231	46%	0.461	C	S	.	.	H	α-helix	trans	-88.7	-33.8	-171.5	0	0	0	0	0	114.1	H546	H546-A550 VanDerWaalsContact CE1-CB 3.42Å; H546-A550 WeakPolarHBondContact CE1-CB 3.24Å; H546-A550 VanDerWaalsContact O-CB 3.22Å; H546-A550 WeakPolarHBondContact O-CB 3.35Å; H546-A550 PolarHBondContact O-N 2.81Å
551	H	74.2	Confident	58.7	Low	31 Å²	31	86.3 Å²	86.3	14%	0.144	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-53.5	-171	-50.1	-56.3	0	0	0	112.8	Y463 C530 H546 V547 N553 K554	Y463-H551 HydrophobicContact CD1-CB 4.29Å; Y463-H551 AromaticContact CD1-CD2 3.81Å; Y463-H551 AromaticContact CD1-CG 3.94Å; Y463-H551 HydrophobicContact CE1-CB 3.72Å; Y463-H551 AromaticContact CE1-CG 3.68Å; Y463-H551 HydrophobicContact CE2-CB 4.22Å; C530-H551 PolarHBondContact SG-NE2 3.27Å; H546-H551 AromaticContact CE1-NE2 3.75Å; H546-H551 AromaticContact NE2-CD2 3.83Å; H546-H551 AromaticContact NE2-NE2 3.09Å; H546-H551 PolarHBondContact NE2-NE2 2.99Å; V547-H551 PolarHBondContact O-N 2.92Å; H551-N553 PolarHBondContact O-N 3.45Å; H551-K554 PolarHBondContact O-N 2.92Å
552	L	65.7	Low	56.6	Low	25 Å²	25	84.5 Å²	84.5	13%	0.131	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-70.2	-37.6	-171	-52	-172.5	0	0	0	113.3	L459 Y463 V547 K554 V555	L459-L552 HydrophobicContact CD2-CD2 3.58Å; L459-L552 HydrophobicContact CG-CD2 3.72Å; Y463-L552 HydrophobicContact CE2-CD2 3.83Å; V547-L552 HydrophobicContact CG1-CD1 4.04Å; V547-L552 HydrophobicContact CG1-CD2 4.07Å; V547-L552 HydrophobicContact CG1-CG 3.84Å; V547-L552 PolarHBondContact O-N 3.24Å; L552-K554 PolarHBondContact O-N 3.11Å; L552-V555 PolarHBondContact O-N 2.84Å
553	N	58.4	Low	54.8	Low	124 Å²	124	85.7 Å²	85.7	66%	0.663	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-62.3	-1	178.4	-81.6	-16.4	0	0	0	115	H548 H551	H548-N553 WeakPolarHBondContact O-CB 3.4Å; H548-N553 PolarHBondContact O-N 3.17Å; H548-N553 PolarHBondContact O-ND2 3.45Å; H551-N553 PolarHBondContact O-N 3.45Å
554	K	49.7	Very low	53.1	Low	161 Å²	161	91.6 Å²	91.6	70%	0.7	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-101	-8.9	175	-69.3	174.7	178.4	164	0	114.5	H551 L552	H551-K554 PolarHBondContact O-N 2.92Å; L552-K554 PolarHBondContact O-N 3.11Å
555	V	43.4	Very low	51.8	Low	90 Å²	90	90.4 Å²	90.4	55%	0.545	53%	0.532	S	S	.	.	S	Bend	trans	-98.3	-13.4	-166.2	-172.7	0	0	0	0	113.6	L552	L552-V555 PolarHBondContact O-N 2.84Å
556	G	32.6	Very low	50.8	Low	61 Å²	61	91.1 Å²	91.1	63%	0.629	53%	0.532	S	S	*	.	S	Bend	trans	-148.7	69.5	-168.1	0	0	0	0	0	117.7
557	K	34.1	Very low	49.6	Very low	215 Å²	215	92.1 Å²	92.1	94%	0.935	54%	0.536	S	S	*	.			trans	-171.5	123.2	146	-102.5	141.9	-167.5	168.7	0	112.3
558	S	32.1	Very low	49.2	Very low	116 Å²	116	98.7 Å²	98.7	81%	0.811	56%	0.561	S	S	*	*			trans	-100.3	148.4	169.6	47.2	0	0	0	0	110.9
559	S	28.8	Very low	48.8	Very low	114 Å²	114	95.7 Å²	95.7	80%	0.797	55%	0.548	S	S	*	.			trans	70.4	153.5	175.4	-134.3	0	0	0	0	116.1
560	P	36.2	Very low	47.9	Very low	105 Å²	105	96.4 Å²	96.4	68%	0.682	55%	0.553	S	S	*	*				-127	-175.5	-72.7	37.7	-24.8	0	0	0	112.8
561	N	27.7	Very low	46.9	Very low	160 Å²	160	98.9 Å²	98.9	86%	0.856	57%	0.565	S	S	*	*	S	Bend	trans	62.4	50.8	171.5	-67.7	-5.2	0	0	0	116.9
562	T	32.2	Very low	46.8	Very low	120 Å²	120	99.9 Å²	99.9	74%	0.736	58%	0.575	S	S	*	*			trans	-142.5	128.4	142.2	-65.5	0	0	0	0	108.3	V564	T562-V564 VanDerWaalsContact C-N 3.31Å; T562-V564 HydrophobicContact CG2-CG2 4.27Å; T562-V564 PolarHBondContact O-N 2.9Å
563	T	35.7	Very low	46.5	Very low	127 Å²	127	103.5 Å²	103.5	78%	0.779	60%	0.602	S	S	*	*			trans	-71.2	88.2	170.9	26.6	0	0	0	0	108.9	V565	T563-V565 WeakPolarHBondContact O-CG2 3.47Å; T563-V565 PolarHBondContact O-N 3.19Å
564	V	41.5	Very low	47.2	Very low	124 Å²	124	101.8 Å²	101.8	75%	0.752	59%	0.591	S	S	*	*			trans	-74.8	82.6	173	-176.4	0	0	0	0	108.2	T562 P566	T562-V564 VanDerWaalsContact C-N 3.31Å; T562-V564 HydrophobicContact CG2-CG2 4.27Å; T562-V564 PolarHBondContact O-N 2.9Å; V564-P566 WeakPolarHBondContact O-CD 3.21Å
565	V	46.8	Very low	48.3	Very low	35 Å²	35	96.4 Å²	96.4	21%	0.212	58%	0.577	C	S	.	*			trans	-69.3	116.2	-176.7	-172.4	0	0	0	0	109.2	T563 F567 A575 F576	T563-V565 WeakPolarHBondContact O-CG2 3.47Å; T563-V565 PolarHBondContact O-N 3.19Å; V565-F567 VanDerWaalsContact C-N 3.28Å; V565-F567 PolarHBondContact O-N 2.96Å; V565-A575 HydrophobicContact CB-CB 3.75Å; V565-A575 HydrophobicContact CG1-CB 3.6Å; V565-A575 HydrophobicContact CG2-CB 4.05Å; V565-F576 VanDerWaalsContact CG1-N 3.3Å; V565-F576 WeakPolarHBondContact CG1-O 3.39Å
566	P	56.2	Low	49.7	Very low	73 Å²	73	93.4 Å²	93.4	47%	0.474	56%	0.557	S	S	.	*	S	Bend	trans	-76.7	-12	-163.9	28	-33.8	0	0	0	114.5	V564	V564-P566 WeakPolarHBondContact O-CD 3.21Å
567	F	55.8	Low	51.3	Low	55 Å²	55	96.2 Å²	96.2	24%	0.241	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.2	98.3	178.8	-53.9	-77.7	0	0	0	110.1	V565 A575 F576 E579 Y582	V565-F567 VanDerWaalsContact C-N 3.28Å; V565-F567 PolarHBondContact O-N 2.96Å; F567-A575 CarbonylContact O-C 3.57Å; F567-A575 WeakPolarHBondContact O-CA 3.26Å; F567-F576 HydrophobicContact CB-CB 4.27Å; F567-F576 PolarHBondContact O-N 3.16Å; F567-E579 HydrophobicContact CD1-CG 4.37Å; F567-E579 HydrophobicContact CD2-CB 4.45Å; F567-E579 HydrophobicContact CE1-CB 4.06Å; F567-E579 HydrophobicContact CE1-CG 3.66Å; F567-E579 HydrophobicContact CE2-CB 3.74Å; F567-E579 HydrophobicContact CE2-CG 4.28Å; F567-E579 HydrophobicContact CZ-CB 3.51Å; F567-E579 HydrophobicContact CZ-CG 3.62Å; F567-Y582 HydrophobicContact CB-CD1 4.37Å; F567-Y582 HydrophobicContact CB-CD2 3.81Å; F567-Y582 HydrophobicContact CB-CG 3.69Å; F567-Y582 AromaticContact CD1-CD1 3.94Å; F567-Y582 HydrophobicContact CD1-CD1 3.94Å; F567-Y582 HydrophobicContact CD1-CE1 4.47Å; F567-Y582 HydrophobicContact CD1-CG 4.1Å; F567-Y582 HydrophobicContact CG-CD1 4.38Å; F567-Y582 HydrophobicContact CG-CG 4.09Å
568	Y	67.5	Low	52.9	Low	137 Å²	137	88 Å²	88	54%	0.537	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	140.7	165.6	64.6	-86.3	0	0	0	109.3	T570 I574	Y568-T570 HydrophobicContact CE2-CG2 4.07Å; Y568-I574 WeakPolarHBondContact CA-O 3.23Å
569	C	65.2	Low	54.1	Low	11 Å²	11	86.4 Å²	86.4	7%	0.074	51%	0.506	C	S	.	.			trans	-80.9	128.8	171.8	-166.2	0	0	0	0	110.7	V571 C573 I574 F576 H585 H587	C569-V571 PolarHBondContact O-N 2.7Å; C569-V571 VanDerWaalsContact O-N 3.13Å; C569-C573 WeakPolarHBondContact O-CA 3.21Å; C569-C573 PolarHBondContact O-N 3.42Å; C569-I574 PolarHBondContact N-O 3.37Å; C569-F576 HydrophobicContact CB-CE2 4.21Å; C569-H585 VanDerWaalsContact CB-CD2 3.43Å; C569-H585 WeakPolarHBondContact CB-CD2 3.17Å; C569-H585 WeakPolarHBondContact CB-NE2 3.39Å; C569-H587 PolarHBondContact SG-CD2 3.1Å; C569-H587 PolarHBondContact SG-NE2 2.96Å
570	T	54.5	Low	56.3	Low	112 Å²	112	86.2 Å²	86.2	69%	0.687	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.2	-178.4	49.9	0	0	0	0	114.6	Y568	Y568-T570 HydrophobicContact CE2-CG2 4.07Å
571	V	47.4	Very low	57.9	Low	80 Å²	80	85.1 Å²	85.1	49%	0.485	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-35.3	-176	176.6	0	0	0	0	113.4	C569 H587 L589	C569-V571 PolarHBondContact O-N 2.7Å; C569-V571 VanDerWaalsContact O-N 3.13Å; V571-H587 VanDerWaalsContact CG1-CE1 3.44Å; V571-H587 WeakPolarHBondContact CG1-CE1 3.45Å; V571-H587 WeakPolarHBondContact CG1-ND1 3.16Å; V571-L589 HydrophobicContact CG1-CD2 3.82Å; V571-L589 HydrophobicContact CG2-CD2 4.43Å
572	C	70.4	Confident	60	Low	53 Å²	53	81.9 Å²	81.9	36%	0.358	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.2	3.3	177.2	63.1	0	0	0	0	114.9	I574 H585 H587	C572-I574 HydrophobicContact CB-CD1 4.49Å; C572-I574 HydrophobicContact CB-CG1 4.38Å; C572-I574 PolarHBondContact O-N 3.08Å; C572-I574 VanDerWaalsContact SG-CG1 3.6Å; C572-H585 VanDerWaalsContact SG-CE1 3.53Å; C572-H585 PolarHBondContact SG-NE2 2.77Å; C572-H585 VanDerWaalsContact SG-NE2 3.4Å; C572-H587 PolarHBondContact SG-CE1 3.12Å; C572-H587 PolarHBondContact SG-NE2 2.93Å
573	C	60.8	Low	61.7	Low	101 Å²	101	84 Å²	84	68%	0.682	46%	0.457	S	S	*	.			trans	56.3	13.4	-179.5	-55.1	0	0	0	0	115.4	C569	C569-C573 WeakPolarHBondContact O-CA 3.21Å; C569-C573 PolarHBondContact O-N 3.42Å
574	I	72.4	Confident	63.3	Low	87 Å²	87	81.8 Å²	81.8	45%	0.446	45%	0.451	S	S	.	.			trans	-66.7	136.6	170.6	-60.7	171.7	0	0	0	107.9	Y568 C569 C572 F576	Y568-I574 WeakPolarHBondContact CA-O 3.23Å; C569-I574 PolarHBondContact N-O 3.37Å; C572-I574 HydrophobicContact CB-CD1 4.49Å; C572-I574 HydrophobicContact CB-CG1 4.38Å; C572-I574 PolarHBondContact O-N 3.08Å; C572-I574 VanDerWaalsContact SG-CG1 3.6Å; I574-F576 HydrophobicContact CB-CE2 3.93Å; I574-F576 HydrophobicContact CB-CZ 3.71Å; I574-F576 HydrophobicContact CG2-CD1 4.43Å; I574-F576 HydrophobicContact CG2-CE1 3.65Å; I574-F576 HydrophobicContact CG2-CE2 3.8Å; I574-F576 HydrophobicContact CG2-CZ 3.26Å; I574-F576 VanDerWaalsContact O-CE2 3.27Å; I574-F576 WeakPolarHBondContact O-CE2 3.34Å
575	A	73.2	Confident	64.4	Low	48 Å²	48	78 Å²	78	40%	0.397	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134	-176.1	0	0	0	0	0	110.3	V565 F567	V565-A575 HydrophobicContact CB-CB 3.75Å; V565-A575 HydrophobicContact CG1-CB 3.6Å; V565-A575 HydrophobicContact CG2-CB 4.05Å; F567-A575 CarbonylContact O-C 3.57Å; F567-A575 WeakPolarHBondContact O-CA 3.26Å
576	F	72.3	Confident	64.7	Low	28 Å²	28	85.1 Å²	85.1	12%	0.123	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.1	-172.1	-58.8	-77	0	0	0	111.2	V565 F567 C569 I574 S578 E581 Y582 H585	V565-F576 VanDerWaalsContact CG1-N 3.3Å; V565-F576 WeakPolarHBondContact CG1-O 3.39Å; F567-F576 HydrophobicContact CB-CB 4.27Å; F567-F576 PolarHBondContact O-N 3.16Å; C569-F576 HydrophobicContact CB-CE2 4.21Å; I574-F576 HydrophobicContact CB-CE2 3.93Å; I574-F576 HydrophobicContact CB-CZ 3.71Å; I574-F576 HydrophobicContact CG2-CD1 4.43Å; I574-F576 HydrophobicContact CG2-CE1 3.65Å; I574-F576 HydrophobicContact CG2-CE2 3.8Å; I574-F576 HydrophobicContact CG2-CZ 3.26Å; I574-F576 VanDerWaalsContact O-CE2 3.27Å; I574-F576 WeakPolarHBondContact O-CE2 3.34Å; F576-S578 VanDerWaalsContact C-N 3.32Å; F576-E581 HydrophobicContact CB-CB 3.9Å; F576-E581 HydrophobicContact CD1-CB 3.9Å; F576-E581 HydrophobicContact CG-CB 4.28Å; F576-Y582 HydrophobicContact CD2-CD2 4.04Å; F576-H585 HydrophobicContact CD2-CB 4.4Å; F576-H585 HydrophobicContact CE1-CB 3.85Å; F576-H585 AromaticContact CE1-CG 3.99Å; F576-H585 HydrophobicContact CE2-CB 3.74Å; F576-H585 AromaticContact CE2-CD2 3.49Å; F576-H585 VanDerWaalsContact CE2-CD2 3.49Å; F576-H585 WeakPolarHBondContact CE2-CD2 3.32Å; F576-H585 AromaticContact CE2-CG 3.44Å; F576-H585 VanDerWaalsContact CE2-CG 3.44Å; F576-H585 HydrophobicContact CZ-CB 3.42Å; F576-H585 VanDerWaalsContact CZ-CB 3.42Å; F576-H585 AromaticContact CZ-CD2 3.64Å; F576-H585 AromaticContact CZ-CE1 3.92Å; F576-H585 AromaticContact CZ-CG 3.12Å; F576-H585 AromaticContact CZ-ND1 3.37Å; F576-H585 WeakPolarHBondContact CZ-ND1 3.43Å
577	N	66.3	Low	64.5	Low	120 Å²	120	84 Å²	84	64%	0.642	44%	0.437	S	S	*	.	S	Bend	trans	-79.6	-20.1	-171.4	-56.3	-50.4	0	0	0	111.9	E581	N577-E581 PolarHBondContact N-OE2 2.72Å
578	S	67.4	Low	64.3	Low	41 Å²	41	84.8 Å²	84.8	29%	0.287	45%	0.447	S	S	.	.	S	Bend	trans	-129.6	156.4	173.6	70.8	0	0	0	0	113	F576 V580 E581 Y582	F576-S578 VanDerWaalsContact C-N 3.32Å; S578-V580 PolarHBondContact O-N 3.11Å; S578-E581 PolarHBondContact N-OE2 3.43Å; S578-E581 PolarHBondContact O-N 2.78Å; S578-E581 VanDerWaalsContact OG-CG 3.3Å; S578-E581 WeakPolarHBondContact OG-CG 3.34Å; S578-E581 PolarHBondContact OG-N 2.76Å; S578-E581 VanDerWaalsContact OG-N 3.15Å; S578-Y582 PolarHBondContact O-N 3.5Å; S578-Y582 VanDerWaalsContact O-N 3.07Å
579	E	58.8	Low	63.8	Low	83 Å²	83	82.8 Å²	82.8	39%	0.388	44%	0.444	S	S	.	.	H	α-helix	trans	-66.6	-22.3	173.9	-157.6	-177.7	-156.9	0	0	111.9	F567 R583	F567-E579 HydrophobicContact CD1-CG 4.37Å; F567-E579 HydrophobicContact CD2-CB 4.45Å; F567-E579 HydrophobicContact CE1-CB 4.06Å; F567-E579 HydrophobicContact CE1-CG 3.66Å; F567-E579 HydrophobicContact CE2-CB 3.74Å; F567-E579 HydrophobicContact CE2-CG 4.28Å; F567-E579 HydrophobicContact CZ-CB 3.51Å; F567-E579 HydrophobicContact CZ-CG 3.62Å; E579-R583 WeakPolarHBondContact O-CB 3.47Å; E579-R583 VanDerWaalsContact O-CG 3.32Å; E579-R583 WeakPolarHBondContact O-CG 3.49Å; E579-R583 PolarHBondContact O-N 2.86Å; E579-R583 IonicContact OE1-CZ 2.69Å; E579-R583 IonicContact OE1-NH1 3.13Å; E579-R583 IonicContact OE1-NH2 3.28Å; E579-R583 PolarHBondContact OE1-NH2 3.37Å; E579-R583 IonicContact OE2-CZ 3.29Å; E579-R583 VanDerWaalsContact OE2-CZ 3.28Å; E579-R583 IonicContact OE2-NH1 3.45Å; E579-R583 PolarHBondContact OE2-NH1 3.35Å; E579-R583 IonicContact OE2-NH2 3.05Å; E579-R583 PolarHBondContact OE2-NH2 3.33Å; E579-R583 VanDerWaalsContact OE2-NH2 3.13Å
580	V	73.5	Confident	63.4	Low	110 Å²	110	84.2 Å²	84.2	67%	0.667	45%	0.449	S	S	*	.	H	α-helix	trans	-71.4	-45.6	175.5	-179	0	0	0	0	110.5	S578 Y582 R583 A584	S578-V580 PolarHBondContact O-N 3.11Å; V580-Y582 VanDerWaalsContact C-N 3.34Å; V580-R583 PolarHBondContact O-N 2.76Å; V580-A584 WeakPolarHBondContact O-CB 3.26Å; V580-A584 PolarHBondContact O-N 2.84Å
581	E	71	Confident	63.9	Low	83 Å²	83	85.2 Å²	85.2	39%	0.388	44%	0.444	S	S	.	.	H	α-helix	trans	-60	-44.1	171.8	-72.6	161.6	-165.1	0	0	111.3	F576 N577 S578 R583 A584 H585	F576-E581 HydrophobicContact CB-CB 3.9Å; F576-E581 HydrophobicContact CD1-CB 3.9Å; F576-E581 HydrophobicContact CG-CB 4.28Å; N577-E581 PolarHBondContact N-OE2 2.72Å; S578-E581 PolarHBondContact N-OE2 3.43Å; S578-E581 PolarHBondContact O-N 2.78Å; S578-E581 VanDerWaalsContact OG-CG 3.3Å; S578-E581 WeakPolarHBondContact OG-CG 3.34Å; S578-E581 PolarHBondContact OG-N 2.76Å; S578-E581 VanDerWaalsContact OG-N 3.15Å; E581-R583 PolarHBondContact O-N 2.89Å; E581-A584 PolarHBondContact O-N 3.09Å; E581-H585 WeakPolarHBondContact O-CB 3.39Å; E581-H585 PolarHBondContact O-N 3.28Å
582	Y	72	Confident	65.1	Low	91 Å²	91	81.9 Å²	81.9	36%	0.357	42%	0.424	S	S	.	.	H	α-helix	trans	-63.5	-38.9	176.2	177.4	-109.9	0	0	0	113.2	F567 F576 S578 V580 H585	F567-Y582 HydrophobicContact CB-CD1 4.37Å; F567-Y582 HydrophobicContact CB-CD2 3.81Å; F567-Y582 HydrophobicContact CB-CG 3.69Å; F567-Y582 AromaticContact CD1-CD1 3.94Å; F567-Y582 HydrophobicContact CD1-CD1 3.94Å; F567-Y582 HydrophobicContact CD1-CE1 4.47Å; F567-Y582 HydrophobicContact CD1-CG 4.1Å; F567-Y582 HydrophobicContact CG-CD1 4.38Å; F567-Y582 HydrophobicContact CG-CG 4.09Å; F576-Y582 HydrophobicContact CD2-CD2 4.04Å; S578-Y582 PolarHBondContact O-N 3.5Å; S578-Y582 VanDerWaalsContact O-N 3.07Å; V580-Y582 VanDerWaalsContact C-N 3.34Å; Y582-H585 PolarHBondContact O-N 3.45Å
583	R	66.2	Low	65	Low	165 Å²	165	83.2 Å²	83.2	62%	0.623	43%	0.433	S	S	*	.	H	α-helix	trans	-72.2	-28.6	174	-76.9	-176.6	-179.7	109.7	11.4	113.2	E579 V580 E581 H585	E579-R583 WeakPolarHBondContact O-CB 3.47Å; E579-R583 VanDerWaalsContact O-CG 3.32Å; E579-R583 WeakPolarHBondContact O-CG 3.49Å; E579-R583 PolarHBondContact O-N 2.86Å; E579-R583 IonicContact OE1-CZ 2.69Å; E579-R583 IonicContact OE1-NH1 3.13Å; E579-R583 IonicContact OE1-NH2 3.28Å; E579-R583 PolarHBondContact OE1-NH2 3.37Å; E579-R583 IonicContact OE2-CZ 3.29Å; E579-R583 VanDerWaalsContact OE2-CZ 3.28Å; E579-R583 IonicContact OE2-NH1 3.45Å; E579-R583 PolarHBondContact OE2-NH1 3.35Å; E579-R583 IonicContact OE2-NH2 3.05Å; E579-R583 PolarHBondContact OE2-NH2 3.33Å; E579-R583 VanDerWaalsContact OE2-NH2 3.13Å; V580-R583 PolarHBondContact O-N 2.76Å; E581-R583 PolarHBondContact O-N 2.89Å; R583-H585 VanDerWaalsContact C-N 3.33Å
584	A	69.3	Low	65.6	Low	80 Å²	80	81.8 Å²	81.8	66%	0.661	42%	0.418	S	S	*	.	H	α-helix	trans	-73.2	-27.1	171.4	0	0	0	0	0	112.2	V580 E581 R586	V580-A584 WeakPolarHBondContact O-CB 3.26Å; V580-A584 PolarHBondContact O-N 2.84Å; E581-A584 PolarHBondContact O-N 3.09Å; A584-R586 VanDerWaalsContact C-N 3.33Å; A584-R586 PolarHBondContact O-N 3.44Å
585	H	65.6	Low	65.9	Low	45 Å²	45	80 Å²	80	21%	0.208	41%	0.413	C	S	.	.			trans	-73.1	80.6	176.9	-178.8	64	0	0	0	112.7	C569 C572 F576 E581 Y582 R583 H587	C569-H585 VanDerWaalsContact CB-CD2 3.43Å; C569-H585 WeakPolarHBondContact CB-CD2 3.17Å; C569-H585 WeakPolarHBondContact CB-NE2 3.39Å; C572-H585 VanDerWaalsContact SG-CE1 3.53Å; C572-H585 PolarHBondContact SG-NE2 2.77Å; C572-H585 VanDerWaalsContact SG-NE2 3.4Å; F576-H585 HydrophobicContact CD2-CB 4.4Å; F576-H585 HydrophobicContact CE1-CB 3.85Å; F576-H585 AromaticContact CE1-CG 3.99Å; F576-H585 HydrophobicContact CE2-CB 3.74Å; F576-H585 AromaticContact CE2-CD2 3.49Å; F576-H585 VanDerWaalsContact CE2-CD2 3.49Å; F576-H585 WeakPolarHBondContact CE2-CD2 3.32Å; F576-H585 AromaticContact CE2-CG 3.44Å; F576-H585 VanDerWaalsContact CE2-CG 3.44Å; F576-H585 HydrophobicContact CZ-CB 3.42Å; F576-H585 VanDerWaalsContact CZ-CB 3.42Å; F576-H585 AromaticContact CZ-CD2 3.64Å; F576-H585 AromaticContact CZ-CE1 3.92Å; F576-H585 AromaticContact CZ-CG 3.12Å; F576-H585 AromaticContact CZ-ND1 3.37Å; F576-H585 WeakPolarHBondContact CZ-ND1 3.43Å; E581-H585 WeakPolarHBondContact O-CB 3.39Å; E581-H585 PolarHBondContact O-N 3.28Å; Y582-H585 PolarHBondContact O-N 3.45Å; R583-H585 VanDerWaalsContact C-N 3.33Å; H585-H587 AromaticContact CD2-CD2 3.97Å; H585-H587 AromaticContact CD2-NE2 3.96Å; H585-H587 AromaticContact CE1-CD2 3.98Å; H585-H587 AromaticContact CE1-NE2 3.53Å; H585-H587 AromaticContact NE2-CD2 3.25Å; H585-H587 PolarHBondContact NE2-CD2 3.35Å; H585-H587 AromaticContact NE2-CE1 3.87Å; H585-H587 AromaticContact NE2-NE2 2.88Å; H585-H587 PolarHBondContact NE2-NE2 3.05Å
586	R	53.7	Low	65.9	Low	184 Å²	184	83.6 Å²	83.6	69%	0.694	43%	0.434	S	S	*	.			trans	-93.1	116.2	179	-141.8	176.9	-179.5	142.5	-6.9	110.7	A584 T588 D600	A584-R586 VanDerWaalsContact C-N 3.33Å; A584-R586 PolarHBondContact O-N 3.44Å; R586-T588 PolarHBondContact O-N 3.44Å; R586-D600 IonicContact CZ-OD2 3.22Å; R586-D600 VanDerWaalsContact CZ-OD2 3.29Å; R586-D600 IonicContact NE-OD2 3.44Å; R586-D600 PolarHBondContact NE-OD2 3.4Å; R586-D600 IonicContact NH2-OD2 2.63Å; R586-D600 PolarHBondContact NH2-OD2 3.02Å
587	H	50.6	Low	66	Low	50 Å²	50	87 Å²	87	23%	0.231	45%	0.451	C	S	.	.			trans	-71.4	115	169	-86	-85.4	0	0	0	111.2	C569 V571 C572 H585 L589	C569-H587 PolarHBondContact SG-CD2 3.1Å; C569-H587 PolarHBondContact SG-NE2 2.96Å; V571-H587 VanDerWaalsContact CG1-CE1 3.44Å; V571-H587 WeakPolarHBondContact CG1-CE1 3.45Å; V571-H587 WeakPolarHBondContact CG1-ND1 3.16Å; C572-H587 PolarHBondContact SG-CE1 3.12Å; C572-H587 PolarHBondContact SG-NE2 2.93Å; H585-H587 AromaticContact CD2-CD2 3.97Å; H585-H587 AromaticContact CD2-NE2 3.96Å; H585-H587 AromaticContact CE1-CD2 3.98Å; H585-H587 AromaticContact CE1-NE2 3.53Å; H585-H587 AromaticContact NE2-CD2 3.25Å; H585-H587 PolarHBondContact NE2-CD2 3.35Å; H585-H587 AromaticContact NE2-CE1 3.87Å; H585-H587 AromaticContact NE2-NE2 2.88Å; H585-H587 PolarHBondContact NE2-NE2 3.05Å; H587-L589 HydrophobicContact CB-CD2 4.02Å; H587-L589 HydrophobicContact CB-CG 3.89Å; H587-L589 PolarHBondContact O-N 3.4Å
588	T	51.7	Low	66.3	Low	72 Å²	72	83.6 Å²	83.6	44%	0.442	44%	0.439	S	S	.	.			trans	-77.1	67	162.3	40.7	0	0	0	0	109.5	R586 F590 K591 A598	R586-T588 PolarHBondContact O-N 3.44Å; T588-F590 VanDerWaalsContact C-N 3.28Å; T588-F590 PolarHBondContact O-N 3.21Å; T588-K591 WeakPolarHBondContact OG1-CE 3.36Å; T588-A598 HydrophobicContact CG2-CB 3.93Å
589	L	56.7	Low	66.5	Low	94 Å²	94	82.9 Å²	82.9	49%	0.492	43%	0.431	S	S	.	.			trans	-56.9	-41.5	-176.5	-75.7	-179.7	0	0	0	112.2	V571 H587	V571-L589 HydrophobicContact CG1-CD2 3.82Å; V571-L589 HydrophobicContact CG2-CD2 4.43Å; H587-L589 HydrophobicContact CB-CD2 4.02Å; H587-L589 HydrophobicContact CB-CG 3.89Å; H587-L589 PolarHBondContact O-N 3.4Å
590	F	57.9	Low	66.6	Low	41 Å²	41	82.3 Å²	82.3	18%	0.18	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	78.8	-169.1	-58.5	-80.1	0	0	0	111.2	T588 A598 F599 E602 Y605	T588-F590 VanDerWaalsContact C-N 3.28Å; T588-F590 PolarHBondContact O-N 3.21Å; F590-A598 WeakPolarHBondContact O-CA 3.48Å; F590-F599 HydrophobicContact CB-CB 4.24Å; F590-F599 PolarHBondContact N-O 2.79Å; F590-F599 WeakPolarHBondContact O-CD2 3.43Å; F590-F599 PolarHBondContact O-N 2.87Å; F590-E602 HydrophobicContact CE1-CB 4.2Å; F590-E602 HydrophobicContact CE1-CG 4.1Å; F590-E602 HydrophobicContact CE2-CB 3.82Å; F590-E602 HydrophobicContact CZ-CB 3.6Å; F590-E602 HydrophobicContact CZ-CG 3.92Å; F590-Y605 VanDerWaalsContact CB-CB 3.49Å; F590-Y605 HydrophobicContact CB-CD1 4.18Å; F590-Y605 HydrophobicContact CB-CD2 3.66Å; F590-Y605 HydrophobicContact CB-CE2 4.33Å; F590-Y605 HydrophobicContact CB-CG 3.54Å; F590-Y605 AromaticContact CD1-CD1 3.72Å; F590-Y605 HydrophobicContact CD1-CD1 3.72Å; F590-Y605 HydrophobicContact CD1-CE1 4.1Å; F590-Y605 AromaticContact CD1-CG 4Å; F590-Y605 HydrophobicContact CD1-CG 4Å; F590-Y605 HydrophobicContact CG-CD1 4.24Å; F590-Y605 HydrophobicContact CG-CG 4.05Å
591	K	65.3	Low	65.8	Low	133 Å²	133	80.5 Å²	80.5	58%	0.578	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.3	169.7	-63.3	-176.3	-179.8	179	0	109.6	T588 A598	T588-K591 WeakPolarHBondContact OG1-CE 3.36Å; K591-A598 HydrophobicContact CG-CB 3.91Å
592	C	73	Confident	65.5	Low	10 Å²	10	80.6 Å²	80.6	7%	0.068	42%	0.42	C	S	.	.			trans	-67.6	133.9	172.7	-171.1	0	0	0	0	110.6	L594 C595 E597 H608 H613	C592-L594 PolarHBondContact O-N 2.58Å; C592-L594 PolarHBondContact SG-N 3Å; C592-L594 VanDerWaalsContact SG-N 3.38Å; C592-C595 VanDerWaalsContact O-O 3.08Å; C592-E597 PolarHBondContact N-O 3Å; C592-H608 WeakPolarHBondContact CB-NE2 3.45Å; C592-H608 PolarHBondContact SG-NE2 2.89Å; C592-H613 PolarHBondContact SG-CD2 3.01Å; C592-H613 PolarHBondContact SG-NE2 3.21Å; C592-H613 VanDerWaalsContact SG-NE2 3.36Å
593	P	67.7	Low	65.1	Low	82 Å²	82	82.9 Å²	82.9	53%	0.532	43%	0.429	S	S	.	.	S	Bend	trans	-70.3	-12.1	172.4	-20.7	33.9	0	0	0	114.2	I620	P593-I620 HydrophobicContact CB-CD1 4.41Å; P593-I620 HydrophobicContact CG-CD1 4.12Å
594	L	72.3	Confident	65.4	Low	71 Å²	71	78.2 Å²	78.2	37%	0.372	42%	0.416	S	S	.	.	S	Bend	trans	-120.3	-5.7	-166.8	-64.4	171	0	0	0	114.2	C592 H613 Q616 I620	C592-L594 PolarHBondContact O-N 2.58Å; C592-L594 PolarHBondContact SG-N 3Å; C592-L594 VanDerWaalsContact SG-N 3.38Å; L594-H613 WeakPolarHBondContact CB-CE1 3.5Å; L594-H613 VanDerWaalsContact CB-ND1 3.35Å; L594-H613 WeakPolarHBondContact CB-ND1 3.44Å; L594-H613 HydrophobicContact CD1-CB 3.75Å; L594-Q616 HydrophobicContact CD1-CB 3.49Å; L594-Q616 VanDerWaalsContact CD1-CB 3.49Å; L594-Q616 HydrophobicContact CD1-CG 4.39Å; L594-I620 HydrophobicContact CD1-CD1 3.48Å; L594-I620 VanDerWaalsContact CD1-CD1 3.48Å; L594-I620 HydrophobicContact CD1-CG1 3.94Å; L594-I620 HydrophobicContact CG-CD1 3.97Å; L594-I620 HydrophobicContact CG-CG1 4.37Å
595	C	78.6	Confident	65.5	Low	50 Å²	50	76.4 Å²	76.4	34%	0.338	39%	0.393	S	S	.	.	S	Bend	trans	-155.2	179.5	170	73.2	0	0	0	0	110.8	C592 E597 H608 H613	C592-C595 VanDerWaalsContact O-O 3.08Å; C595-E597 VanDerWaalsContact C-N 3.27Å; C595-E597 PolarHBondContact O-N 3.31Å; C595-E597 VanDerWaalsContact SG-CG 3.56Å; C595-H608 PolarHBondContact SG-CE1 3.46Å; C595-H608 PolarHBondContact SG-NE2 3.04Å; C595-H613 PolarHBondContact SG-NE2 3.13Å; C595-H613 VanDerWaalsContact SG-NE2 3.41Å
596	S	74.4	Confident	65.9	Low	122 Å²	122	77.6 Å²	77.6	85%	0.853	40%	0.398	S	S	*	.	S	Bend	trans	-77.3	-1.4	-177.7	50.2	0	0	0	0	115.5
597	E	73.4	Confident	66.9	Low	101 Å²	101	73.3 Å²	73.3	47%	0.472	39%	0.385	S	S	.	.			trans	-70.9	141.5	-177.1	-65	-92.1	107.1	0	0	112	C592 C595 F599	C592-E597 PolarHBondContact N-O 3Å; C595-E597 VanDerWaalsContact C-N 3.27Å; C595-E597 PolarHBondContact O-N 3.31Å; C595-E597 VanDerWaalsContact SG-CG 3.56Å; E597-F599 HydrophobicContact CB-CE2 3.71Å; E597-F599 HydrophobicContact CB-CZ 3.55Å; E597-F599 HydrophobicContact CG-CZ 4.28Å
598	A	72.9	Confident	68.3	Low	47 Å²	47	72 Å²	72	39%	0.388	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	132	178.3	0	0	0	0	0	110.9	T588 F590 K591	T588-A598 HydrophobicContact CG2-CB 3.93Å; F590-A598 WeakPolarHBondContact O-CA 3.48Å; K591-A598 HydrophobicContact CG-CB 3.91Å
599	F	72.2	Confident	69.3	Low	26 Å²	26	69.5 Å²	69.5	11%	0.114	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.8	-173.5	-52	-81.4	0	0	0	111.2	F590 E597 L604 Y605 H608	F590-F599 HydrophobicContact CB-CB 4.24Å; F590-F599 PolarHBondContact N-O 2.79Å; F590-F599 WeakPolarHBondContact O-CD2 3.43Å; F590-F599 PolarHBondContact O-N 2.87Å; E597-F599 HydrophobicContact CB-CE2 3.71Å; E597-F599 HydrophobicContact CB-CZ 3.55Å; E597-F599 HydrophobicContact CG-CZ 4.28Å; F599-L604 HydrophobicContact CB-CB 4.14Å; F599-L604 HydrophobicContact CD1-CB 3.68Å; F599-L604 HydrophobicContact CG-CB 4.12Å; F599-Y605 HydrophobicContact CD2-CD2 4.18Å; F599-H608 HydrophobicContact CD2-CB 4.31Å; F599-H608 HydrophobicContact CE1-CB 4.04Å; F599-H608 HydrophobicContact CE2-CB 3.48Å; F599-H608 VanDerWaalsContact CE2-CB 3.48Å; F599-H608 AromaticContact CE2-CD2 3.52Å; F599-H608 AromaticContact CE2-CG 3.32Å; F599-H608 AromaticContact CE2-ND1 3.9Å; F599-H608 HydrophobicContact CZ-CB 3.32Å; F599-H608 AromaticContact CZ-CD2 3.9Å; F599-H608 AromaticContact CZ-CG 3.24Å; F599-H608 AromaticContact CZ-ND1 3.45Å; F599-H608 WeakPolarHBondContact CZ-ND1 3.48Å
600	D	59.9	Low	70.2	Confident	71 Å²	71	70.1 Å²	70.1	38%	0.38	37%	0.366	S	S	.	.	S	Bend	trans	-92.5	-3.1	172.3	49.9	4.5	0	0	0	112.8	R586	R586-D600 IonicContact CZ-OD2 3.22Å; R586-D600 VanDerWaalsContact CZ-OD2 3.29Å; R586-D600 IonicContact NE-OD2 3.44Å; R586-D600 PolarHBondContact NE-OD2 3.4Å; R586-D600 IonicContact NH2-OD2 2.63Å; R586-D600 PolarHBondContact NH2-OD2 3.02Å
601	V	58.6	Low	70.9	Confident	72 Å²	72	74.2 Å²	74.2	44%	0.436	39%	0.39	S	S	.	.	S	Bend	trans	-131.7	130.3	176.9	-172.8	0	0	0	0	110.7	Y603 L604 Y605	V601-Y603 VanDerWaalsContact C-N 3.34Å; V601-Y603 PolarHBondContact O-N 3.42Å; V601-L604 HydrophobicContact CB-CB 4.42Å; V601-L604 HydrophobicContact CB-CD1 4.11Å; V601-L604 HydrophobicContact CB-CG 4.09Å; V601-L604 HydrophobicContact CG2-CD1 4.29Å; V601-L604 WeakPolarHBondContact O-CB 3.45Å; V601-L604 PolarHBondContact O-N 3.31Å; V601-Y605 PolarHBondContact O-N 2.87Å
602	E	64.5	Low	71.4	Confident	86 Å²	86	70.7 Å²	70.7	40%	0.402	39%	0.386	S	S	.	.	H	α-helix	trans	-53.3	-46.3	179.3	-174.8	175.8	-155.3	0	0	112.7	F590 L604 Y605 E606 P638	F590-E602 HydrophobicContact CE1-CB 4.2Å; F590-E602 HydrophobicContact CE1-CG 4.1Å; F590-E602 HydrophobicContact CE2-CB 3.82Å; F590-E602 HydrophobicContact CZ-CB 3.6Å; F590-E602 HydrophobicContact CZ-CG 3.92Å; E602-L604 VanDerWaalsContact C-N 3.26Å; E602-L604 PolarHBondContact O-N 2.92Å; E602-Y605 WeakPolarHBondContact O-CB 3.17Å; E602-Y605 PolarHBondContact O-N 3.17Å; E602-Y605 VanDerWaalsContact O-N 3.08Å; E602-E606 PolarHBondContact O-N 3.3Å; E602-P638 WeakPolarHBondContact OE1-CB 3.35Å; E602-P638 WeakPolarHBondContact OE1-CG 3.42Å
603	Y	63.1	Low	71.7	Confident	138 Å²	138	71 Å²	71	54%	0.541	39%	0.386	S	S	.	.	H	α-helix	trans	-56.6	-36.2	175.3	165.7	-107	0	0	0	113.2	V601 K607	V601-Y603 VanDerWaalsContact C-N 3.34Å; V601-Y603 PolarHBondContact O-N 3.42Å; Y603-K607 HydrophobicContact CE1-CD 4.19Å; Y603-K607 HydrophobicContact CE2-CD 4.43Å; Y603-K607 WeakPolarHBondContact O-CB 3.44Å; Y603-K607 PolarHBondContact O-N 3.17Å; Y603-K607 PolarHBondContact OH-NZ 2.99Å; Y603-K607 VanDerWaalsContact OH-NZ 3.08Å
604	L	71.4	Confident	71.4	Confident	68 Å²	68	68.8 Å²	68.8	36%	0.356	38%	0.378	S	S	.	.	H	α-helix	trans	-73.4	-35.4	177.8	-64.1	178.9	0	0	0	111.3	F599 V601 E602 H608	F599-L604 HydrophobicContact CB-CB 4.14Å; F599-L604 HydrophobicContact CD1-CB 3.68Å; F599-L604 HydrophobicContact CG-CB 4.12Å; V601-L604 HydrophobicContact CB-CB 4.42Å; V601-L604 HydrophobicContact CB-CD1 4.11Å; V601-L604 HydrophobicContact CB-CG 4.09Å; V601-L604 HydrophobicContact CG2-CD1 4.29Å; V601-L604 WeakPolarHBondContact O-CB 3.45Å; V601-L604 PolarHBondContact O-N 3.31Å; E602-L604 VanDerWaalsContact C-N 3.26Å; E602-L604 PolarHBondContact O-N 2.92Å; L604-H608 WeakPolarHBondContact O-CB 3.37Å; L604-H608 PolarHBondContact O-N 3.49Å
605	Y	73.4	Confident	70.7	Confident	42 Å²	42	72.6 Å²	72.6	17%	0.165	39%	0.394	C	S	.	.	H	α-helix	trans	-67.5	-46.5	172.6	168.7	-105.5	0	0	0	113.1	F590 F599 V601 E602 K607 H608 I609	F590-Y605 VanDerWaalsContact CB-CB 3.49Å; F590-Y605 HydrophobicContact CB-CD1 4.18Å; F590-Y605 HydrophobicContact CB-CD2 3.66Å; F590-Y605 HydrophobicContact CB-CE2 4.33Å; F590-Y605 HydrophobicContact CB-CG 3.54Å; F590-Y605 AromaticContact CD1-CD1 3.72Å; F590-Y605 HydrophobicContact CD1-CD1 3.72Å; F590-Y605 HydrophobicContact CD1-CE1 4.1Å; F590-Y605 AromaticContact CD1-CG 4Å; F590-Y605 HydrophobicContact CD1-CG 4Å; F590-Y605 HydrophobicContact CG-CD1 4.24Å; F590-Y605 HydrophobicContact CG-CG 4.05Å; F599-Y605 HydrophobicContact CD2-CD2 4.18Å; V601-Y605 PolarHBondContact O-N 2.87Å; E602-Y605 WeakPolarHBondContact O-CB 3.17Å; E602-Y605 PolarHBondContact O-N 3.17Å; E602-Y605 VanDerWaalsContact O-N 3.08Å; Y605-K607 VanDerWaalsContact C-N 3.34Å; Y605-K607 PolarHBondContact O-N 2.87Å; Y605-H608 PolarHBondContact O-N 3.21Å; Y605-I609 HydrophobicContact CD1-CD1 4.43Å; Y605-I609 HydrophobicContact CD2-CD1 4.17Å; Y605-I609 HydrophobicContact CD2-CG1 4.41Å; Y605-I609 HydrophobicContact CE1-CD1 3.81Å; Y605-I609 HydrophobicContact CE2-CD1 3.52Å; Y605-I609 HydrophobicContact CE2-CG1 4.17Å; Y605-I609 PolarHBondContact O-N 3.1Å; Y605-I609 WeakPolarHBondContact OH-CD1 3.43Å
606	E	72.3	Confident	70	Confident	70 Å²	70	74.7 Å²	74.7	33%	0.327	40%	0.398	S	S	.	.	H	α-helix	trans	-62	-43.3	174.5	-71.5	-163.2	134.8	0	0	111	E602 H608 I609 N610	E602-E606 PolarHBondContact O-N 3.3Å; E606-H608 VanDerWaalsContact C-N 3.31Å; E606-H608 PolarHBondContact O-N 3.06Å; E606-I609 PolarHBondContact O-N 2.79Å; E606-N610 VanDerWaalsContact O-CB 3.32Å; E606-N610 WeakPolarHBondContact O-CB 3.44Å; E606-N610 VanDerWaalsContact O-CG 3.29Å; E606-N610 PolarHBondContact O-N 2.59Å; E606-N610 PolarHBondContact O-ND2 2.81Å
607	K	75.2	Confident	69.2	Low	94 Å²	94	69.9 Å²	69.9	41%	0.409	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-38.2	175.2	-173.9	173	-170.2	171.5	0	111.9	Y603 Y605 N611	Y603-K607 HydrophobicContact CE1-CD 4.19Å; Y603-K607 HydrophobicContact CE2-CD 4.43Å; Y603-K607 WeakPolarHBondContact O-CB 3.44Å; Y603-K607 PolarHBondContact O-N 3.17Å; Y603-K607 PolarHBondContact OH-NZ 2.99Å; Y603-K607 VanDerWaalsContact OH-NZ 3.08Å; Y605-K607 VanDerWaalsContact C-N 3.34Å; Y605-K607 PolarHBondContact O-N 2.87Å; K607-N611 WeakPolarHBondContact O-CB 3.13Å; K607-N611 PolarHBondContact O-N 3.36Å; K607-N611 PolarHBondContact O-ND2 3.4Å
608	H	79.8	Confident	68.4	Low	21 Å²	21	71.5 Å²	71.5	10%	0.097	38%	0.377	C	S	.	.	H	α-helix	trans	-67.3	-48.6	174.6	169.5	82.6	0	0	0	112.1	C592 C595 F599 L604 Y605 E606 N610 N611 A612 H613	C592-H608 WeakPolarHBondContact CB-NE2 3.45Å; C592-H608 PolarHBondContact SG-NE2 2.89Å; C595-H608 PolarHBondContact SG-CE1 3.46Å; C595-H608 PolarHBondContact SG-NE2 3.04Å; F599-H608 HydrophobicContact CD2-CB 4.31Å; F599-H608 HydrophobicContact CE1-CB 4.04Å; F599-H608 HydrophobicContact CE2-CB 3.48Å; F599-H608 VanDerWaalsContact CE2-CB 3.48Å; F599-H608 AromaticContact CE2-CD2 3.52Å; F599-H608 AromaticContact CE2-CG 3.32Å; F599-H608 AromaticContact CE2-ND1 3.9Å; F599-H608 HydrophobicContact CZ-CB 3.32Å; F599-H608 AromaticContact CZ-CD2 3.9Å; F599-H608 AromaticContact CZ-CG 3.24Å; F599-H608 AromaticContact CZ-ND1 3.45Å; F599-H608 WeakPolarHBondContact CZ-ND1 3.48Å; L604-H608 WeakPolarHBondContact O-CB 3.37Å; L604-H608 PolarHBondContact O-N 3.49Å; Y605-H608 PolarHBondContact O-N 3.21Å; E606-H608 VanDerWaalsContact C-N 3.31Å; E606-H608 PolarHBondContact O-N 3.06Å; H608-N610 VanDerWaalsContact C-N 3.31Å; H608-N610 PolarHBondContact O-N 2.94Å; H608-N611 PolarHBondContact O-N 3.44Å; H608-A612 WeakPolarHBondContact O-CB 3.41Å; H608-A612 PolarHBondContact O-N 2.96Å; H608-H613 AromaticContact CD2-CD2 3.89Å; H608-H613 AromaticContact CE1-CD2 3.89Å; H608-H613 AromaticContact CE1-NE2 3.72Å; H608-H613 AromaticContact NE2-CD2 3.23Å; H608-H613 PolarHBondContact NE2-CD2 3.37Å; H608-H613 AromaticContact NE2-NE2 3.26Å; H608-H613 PolarHBondContact NE2-NE2 3.3Å
609	I	73.9	Confident	67.6	Low	21 Å²	21	75.1 Å²	75.1	11%	0.108	39%	0.39	C	S	.	.	H	α-helix	trans	-59.8	-43	176.8	-76.5	-173.8	0	0	0	110.7	Y605 E606 H613 G614 A617 I620	Y605-I609 HydrophobicContact CD1-CD1 4.43Å; Y605-I609 HydrophobicContact CD2-CD1 4.17Å; Y605-I609 HydrophobicContact CD2-CG1 4.41Å; Y605-I609 HydrophobicContact CE1-CD1 3.81Å; Y605-I609 HydrophobicContact CE2-CD1 3.52Å; Y605-I609 HydrophobicContact CE2-CG1 4.17Å; Y605-I609 PolarHBondContact O-N 3.1Å; Y605-I609 WeakPolarHBondContact OH-CD1 3.43Å; E606-I609 PolarHBondContact O-N 2.79Å; I609-H613 CarbonylContact O-C 3.53Å; I609-H613 VanDerWaalsContact O-CA 3.24Å; I609-H613 WeakPolarHBondContact O-CA 3.31Å; I609-H613 WeakPolarHBondContact O-CB 3.35Å; I609-H613 PolarHBondContact O-N 3.31Å; I609-G614 PolarHBondContact O-N 2.99Å; I609-A617 HydrophobicContact CG2-CB 3.61Å; I609-I620 HydrophobicContact CD1-CD1 4.28Å
610	N	73.8	Confident	66.9	Low	107 Å²	107	75.7 Å²	75.7	57%	0.572	39%	0.393	S	S	*	.	H	α-helix	trans	-68.2	-35.8	178.3	-72.6	-47.6	0	0	0	113.2	E606 H608 G614	E606-N610 VanDerWaalsContact O-CB 3.32Å; E606-N610 WeakPolarHBondContact O-CB 3.44Å; E606-N610 VanDerWaalsContact O-CG 3.29Å; E606-N610 PolarHBondContact O-N 2.59Å; E606-N610 PolarHBondContact O-ND2 2.81Å; H608-N610 VanDerWaalsContact C-N 3.31Å; H608-N610 PolarHBondContact O-N 2.94Å; N610-G614 WeakPolarHBondContact O-CA 3.39Å
611	N	73.7	Confident	66.7	Low	127 Å²	127	75.2 Å²	75.2	68%	0.679	40%	0.4	S	S	*	.	H	α-helix	trans	-89.2	-45	-175.8	-69.2	-13.2	0	0	0	114.2	K607 H608	K607-N611 WeakPolarHBondContact O-CB 3.13Å; K607-N611 PolarHBondContact O-N 3.36Å; K607-N611 PolarHBondContact O-ND2 3.4Å; H608-N611 PolarHBondContact O-N 3.44Å
612	A	76.2	Confident	66.3	Low	59 Å²	59	74.8 Å²	74.8	49%	0.488	40%	0.404	S	S	.	.	H	α-helix	trans	-90.3	-28.1	-177.2	0	0	0	0	0	112.5	H608	H608-A612 WeakPolarHBondContact O-CB 3.41Å; H608-A612 PolarHBondContact O-N 2.96Å
613	H	78	Confident	66	Low	16 Å²	16	75.3 Å²	75.3	7%	0.074	41%	0.412	C	S	.	.	S	Bend	trans	-127.8	19.3	-172.3	-60.4	-67.6	0	0	0	113.5	C592 L594 C595 H608 I609 E615 Q616 A617	C592-H613 PolarHBondContact SG-CD2 3.01Å; C592-H613 PolarHBondContact SG-NE2 3.21Å; C592-H613 VanDerWaalsContact SG-NE2 3.36Å; L594-H613 WeakPolarHBondContact CB-CE1 3.5Å; L594-H613 VanDerWaalsContact CB-ND1 3.35Å; L594-H613 WeakPolarHBondContact CB-ND1 3.44Å; L594-H613 HydrophobicContact CD1-CB 3.75Å; C595-H613 PolarHBondContact SG-NE2 3.13Å; C595-H613 VanDerWaalsContact SG-NE2 3.41Å; H608-H613 AromaticContact CD2-CD2 3.89Å; H608-H613 AromaticContact CE1-CD2 3.89Å; H608-H613 AromaticContact CE1-NE2 3.72Å; H608-H613 AromaticContact NE2-CD2 3.23Å; H608-H613 PolarHBondContact NE2-CD2 3.37Å; H608-H613 AromaticContact NE2-NE2 3.26Å; H608-H613 PolarHBondContact NE2-NE2 3.3Å; I609-H613 CarbonylContact O-C 3.53Å; I609-H613 VanDerWaalsContact O-CA 3.24Å; I609-H613 WeakPolarHBondContact O-CA 3.31Å; I609-H613 WeakPolarHBondContact O-CB 3.35Å; I609-H613 PolarHBondContact O-N 3.31Å; H613-E615 VanDerWaalsContact C-N 3.26Å; H613-E615 PolarHBondContact O-N 3.41Å; H613-E615 VanDerWaalsContact O-N 3.08Å; H613-Q616 HydrophobicContact CB-CB 4.33Å; H613-Q616 PolarHBondContact ND1-OE1 3.39Å; H613-Q616 CarbonylContact O-C 3.51Å; H613-Q616 WeakPolarHBondContact O-CA 3.39Å; H613-Q616 PolarHBondContact O-N 3.33Å; H613-A617 PolarHBondContact O-N 2.66Å
614	G	61.2	Low	65.5	Low	35 Å²	35	70.2 Å²	70.2	36%	0.361	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.7	-169.5	0	0	0	0	0	115.4	I609 N610	I609-G614 PolarHBondContact O-N 2.99Å; N610-G614 WeakPolarHBondContact O-CA 3.39Å
615	E	59.5	Low	64.4	Low	151 Å²	151	69.4 Å²	69.4	71%	0.706	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-17.6	174.7	-62	-170.3	159.7	0	0	113	H613 R835	H613-E615 VanDerWaalsContact C-N 3.26Å; H613-E615 PolarHBondContact O-N 3.41Å; H613-E615 VanDerWaalsContact O-N 3.08Å; E615-R835 IonicContact OE1-NH1 3.55Å
616	Q	62.3	Low	63.1	Low	94 Å²	94	70.4 Å²	70.4	44%	0.439	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-18.2	175.2	-63.4	175.4	-42.7	0	0	113.2	L594 H613 L618 L619 I620	L594-Q616 HydrophobicContact CD1-CB 3.49Å; L594-Q616 VanDerWaalsContact CD1-CB 3.49Å; L594-Q616 HydrophobicContact CD1-CG 4.39Å; H613-Q616 HydrophobicContact CB-CB 4.33Å; H613-Q616 PolarHBondContact ND1-OE1 3.39Å; H613-Q616 CarbonylContact O-C 3.51Å; H613-Q616 WeakPolarHBondContact O-CA 3.39Å; H613-Q616 PolarHBondContact O-N 3.33Å; Q616-L618 PolarHBondContact O-N 3.24Å; Q616-L619 WeakPolarHBondContact O-CA 3.34Å; Q616-L619 WeakPolarHBondContact O-CB 3.13Å; Q616-L619 PolarHBondContact O-N 3.28Å; Q616-I620 PolarHBondContact O-N 3.47Å; Q616-I620 VanDerWaalsContact O-N 3.13Å
617	A	58.1	Low	61.7	Low	22 Å²	22	69.5 Å²	69.5	18%	0.182	42%	0.423	C	S	.	.	H	α-helix	trans	-58.8	-34.2	179.5	0	0	0	0	0	112.4	I609 H613 L619 I620 A621	I609-A617 HydrophobicContact CG2-CB 3.61Å; H613-A617 PolarHBondContact O-N 2.66Å; A617-L619 VanDerWaalsContact C-N 3.33Å; A617-L619 PolarHBondContact O-N 2.77Å; A617-I620 PolarHBondContact O-N 2.78Å; A617-A621 PolarHBondContact O-N 2.84Å
618	L	56.5	Low	60.2	Low	134 Å²	134	68.7 Å²	68.7	70%	0.702	43%	0.434	S	S	*	.	H	α-helix	trans	-62.9	-35.4	172.3	-75.3	167.6	0	0	0	112.7	Q616 A622	Q616-L618 PolarHBondContact O-N 3.24Å; L618-A622 PolarHBondContact O-N 3.46Å; L618-A622 VanDerWaalsContact O-N 3.16Å
619	L	56.6	Low	58.6	Low	123 Å²	123	73.8 Å²	73.8	64%	0.644	47%	0.467	S	S	*	.	H	α-helix	trans	-70.5	-41.3	172.5	-91.8	94.2	0	0	0	111.7	Q616 A617 A621 A622 V623	Q616-L619 WeakPolarHBondContact O-CA 3.34Å; Q616-L619 WeakPolarHBondContact O-CB 3.13Å; Q616-L619 PolarHBondContact O-N 3.28Å; A617-L619 VanDerWaalsContact C-N 3.33Å; A617-L619 PolarHBondContact O-N 2.77Å; L619-A621 VanDerWaalsContact C-N 3.32Å; L619-A621 PolarHBondContact O-N 3.04Å; L619-A622 PolarHBondContact O-N 2.81Å; L619-V623 WeakPolarHBondContact O-CB 3.48Å; L619-V623 VanDerWaalsContact O-CG2 3.3Å; L619-V623 WeakPolarHBondContact O-CG2 3.48Å; L619-V623 PolarHBondContact O-N 3.03Å
620	I	56.5	Low	57.2	Low	38 Å²	38	77.7 Å²	77.7	20%	0.195	50%	0.496	C	S	.	.	H	α-helix	trans	-58.7	-47.4	174.9	-61	172.3	0	0	0	109.9	P593 L594 I609 Q616 A617 A622 V623 A624	P593-I620 HydrophobicContact CB-CD1 4.41Å; P593-I620 HydrophobicContact CG-CD1 4.12Å; L594-I620 HydrophobicContact CD1-CD1 3.48Å; L594-I620 VanDerWaalsContact CD1-CD1 3.48Å; L594-I620 HydrophobicContact CD1-CG1 3.94Å; L594-I620 HydrophobicContact CG-CD1 3.97Å; L594-I620 HydrophobicContact CG-CG1 4.37Å; I609-I620 HydrophobicContact CD1-CD1 4.28Å; Q616-I620 PolarHBondContact O-N 3.47Å; Q616-I620 VanDerWaalsContact O-N 3.13Å; A617-I620 PolarHBondContact O-N 2.78Å; I620-A622 VanDerWaalsContact C-N 3.33Å; I620-A622 PolarHBondContact O-N 3.24Å; I620-V623 PolarHBondContact O-N 2.67Å; I620-A624 WeakPolarHBondContact O-CB 3.15Å; I620-A624 PolarHBondContact O-N 2.87Å
621	A	56.1	Low	55.5	Low	62 Å²	62	76 Å²	76	51%	0.512	49%	0.492	S	S	.	.	H	α-helix	trans	-58.6	-43.3	-179.9	0	0	0	0	0	112.2	A617 L619 A625	A617-A621 PolarHBondContact O-N 2.84Å; L619-A621 VanDerWaalsContact C-N 3.32Å; L619-A621 PolarHBondContact O-N 3.04Å; A621-A625 VanDerWaalsContact O-CB 3.3Å; A621-A625 WeakPolarHBondContact O-CB 3.29Å; A621-A625 PolarHBondContact O-N 3.07Å; A621-A625 VanDerWaalsContact O-N 3.08Å
622	A	51.2	Low	53.6	Low	63 Å²	63	74.6 Å²	74.6	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-67.5	-44.5	176.7	0	0	0	0	0	113	L618 L619 I620 A625 A626	L618-A622 PolarHBondContact O-N 3.46Å; L618-A622 VanDerWaalsContact O-N 3.16Å; L619-A622 PolarHBondContact O-N 2.81Å; I620-A622 VanDerWaalsContact C-N 3.33Å; I620-A622 PolarHBondContact O-N 3.24Å; A622-A625 PolarHBondContact O-N 2.63Å; A622-A626 PolarHBondContact O-N 3.26Å
623	V	57	Low	51.4	Low	96 Å²	96	73.9 Å²	73.9	58%	0.582	51%	0.506	S	S	*	.	H	α-helix	trans	-70	-39.1	-179.3	172.9	0	0	0	0	111.5	L619 I620 A626 A627	L619-V623 WeakPolarHBondContact O-CB 3.48Å; L619-V623 VanDerWaalsContact O-CG2 3.3Å; L619-V623 WeakPolarHBondContact O-CG2 3.48Å; L619-V623 PolarHBondContact O-N 3.03Å; I620-V623 PolarHBondContact O-N 2.67Å; V623-A626 PolarHBondContact O-N 3.25Å; V623-A627 WeakPolarHBondContact O-CB 3.3Å; V623-A627 PolarHBondContact O-N 2.78Å
624	A	51.9	Low	49.2	Very low	31 Å²	31	78.2 Å²	78.2	26%	0.256	55%	0.545	S	S	.	.	H	α-helix	trans	-65.4	-40.1	174.8	0	0	0	0	0	111.8	I620 A626 A627 A628 L637	I620-A624 WeakPolarHBondContact O-CB 3.15Å; I620-A624 PolarHBondContact O-N 2.87Å; A624-A626 VanDerWaalsContact C-N 3.34Å; A624-A626 PolarHBondContact O-N 3.32Å; A624-A627 PolarHBondContact O-N 3.38Å; A624-A628 WeakPolarHBondContact O-CB 3.42Å; A624-A628 PolarHBondContact O-N 3.4Å; A624-L637 HydrophobicContact CB-CD1 4.24Å
625	A	49	Very low	47.7	Very low	52 Å²	52	86.9 Å²	86.9	43%	0.43	57%	0.567	S	S	.	*	H	α-helix	trans	-62.4	-39.1	173.7	0	0	0	0	0	112.3	A621 A622	A621-A625 VanDerWaalsContact O-CB 3.3Å; A621-A625 WeakPolarHBondContact O-CB 3.29Å; A621-A625 PolarHBondContact O-N 3.07Å; A621-A625 VanDerWaalsContact O-N 3.08Å; A622-A625 PolarHBondContact O-N 2.63Å
626	A	45.6	Very low	46.5	Very low	62 Å²	62	85.5 Å²	85.5	51%	0.512	57%	0.574	S	S	.	*	H	α-helix	trans	-69.4	-41.1	175	0	0	0	0	0	112.9	A622 V623 A624 V629 S630	A622-A626 PolarHBondContact O-N 3.26Å; V623-A626 PolarHBondContact O-N 3.25Å; A624-A626 VanDerWaalsContact C-N 3.34Å; A624-A626 PolarHBondContact O-N 3.32Å; A626-V629 PolarHBondContact O-N 3.39Å; A626-S630 PolarHBondContact O-OG 2.71Å
627	A	44.3	Very low	45	Very low	51 Å²	51	85.8 Å²	85.8	42%	0.421	58%	0.578	S	S	.	*	H	α-helix	trans	-66.6	-39.4	179.5	0	0	0	0	0	112.6	V623 A624 V629 S630	V623-A627 WeakPolarHBondContact O-CB 3.3Å; V623-A627 PolarHBondContact O-N 2.78Å; A624-A627 PolarHBondContact O-N 3.38Å; A627-V629 PolarHBondContact O-N 3.11Å; A627-V629 VanDerWaalsContact O-N 3.13Å; A627-S630 PolarHBondContact O-N 3.16Å
628	A	43.4	Very low	43.8	Very low	77 Å²	77	86.3 Å²	86.3	64%	0.636	58%	0.58	S	S	*	*	H	α-helix	trans	-61.5	-21.5	-178.9	0	0	0	0	0	114.2	A624	A624-A628 WeakPolarHBondContact O-CB 3.42Å; A624-A628 PolarHBondContact O-N 3.4Å
629	V	46.2	Very low	42.7	Very low	129 Å²	129	91.9 Å²	91.9	78%	0.782	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-19.8	175.2	-179.3	0	0	0	0	112.1	A626 A627	A626-V629 PolarHBondContact O-N 3.39Å; A627-V629 PolarHBondContact O-N 3.11Å; A627-V629 VanDerWaalsContact O-N 3.13Å
630	S	45.1	Very low	41.6	Very low	102 Å²	102	97.1 Å²	97.1	71%	0.713	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	-12.1	-162.6	-55.4	0	0	0	0	115.3	A626 A627	A626-S630 PolarHBondContact O-OG 2.71Å; A627-S630 PolarHBondContact O-N 3.16Å
631	S	36.3	Very low	40.5	Very low	71 Å²	71	101.2 Å²	101.2	50%	0.497	62%	0.624	S	S	.	*			trans	-147.4	121.2	-178.8	61.4	0	0	0	0	112.7	G633	S631-G633 PolarHBondContact O-N 3.37Å
632	G	34	Very low	39.4	Very low	98 Å²	98	104.9 Å²	104.9	100%	1.01	63%	0.634	S	S	*	*			trans	-73.1	37.1	180	0	0	0	0	0	115.7
633	G	31.4	Very low	38.4	Very low	44 Å²	44	106.8 Å²	106.8	45%	0.454	64%	0.644	S	S	.	*			trans	-88	140.7	172.7	0	0	0	0	0	111.4	S631 W635	S631-G633 PolarHBondContact O-N 3.37Å; G633-W635 VanDerWaalsContact C-N 3.34Å; G633-W635 PolarHBondContact O-N 2.78Å
634	A	30.2	Very low	37.2	Very low	107 Å²	107	106.5 Å²	106.5	88%	0.884	65%	0.646	S	S	*	*			trans	-75.2	77.9	-177.8	0	0	0	0	0	112.8	S636	A634-S636 PolarHBondContact O-N 2.87Å
635	W	31.3	Very low	36.3	Very low	217 Å²	217	112.3 Å²	112.3	82%	0.822	67%	0.673	S	S	*	*			trans	-84.3	99.7	169.9	-73.4	69.7	0	0	0	110.1	G633 L637	G633-W635 VanDerWaalsContact C-N 3.34Å; G633-W635 PolarHBondContact O-N 2.78Å; W635-L637 VanDerWaalsContact C-N 3.27Å; W635-L637 PolarHBondContact O-N 2.83Å
636	S	33.8	Very low	35.5	Very low	123 Å²	123	118.4 Å²	118.4	86%	0.86	69%	0.694	S	S	*	*			trans	-76	72.6	177.2	59.1	0	0	0	0	112.1	A634	A634-S636 PolarHBondContact O-N 2.87Å
637	L	31.2	Very low	34.9	Very low	99 Å²	99	124.3 Å²	124.3	52%	0.518	71%	0.709	S	S	.	*			trans	-66.5	137.9	169.5	-94.6	162.7	0	0	0	111	A624 W635 R639	A624-L637 HydrophobicContact CB-CD1 4.24Å; W635-L637 VanDerWaalsContact C-N 3.27Å; W635-L637 PolarHBondContact O-N 2.83Å; L637-R639 PolarHBondContact O-N 3.34Å
638	P	32.5	Very low	34.3	Very low	34 Å²	34	132.4 Å²	132.4	22%	0.221	73%	0.728	C	S	.	*			trans	-54.5	129.1	175.8	-30.8	38.5	0	0	0	113.2	E602 R640	E602-P638 WeakPolarHBondContact OE1-CB 3.35Å; E602-P638 WeakPolarHBondContact OE1-CG 3.42Å; P638-R640 PolarHBondContact O-N 3.12Å
639	R	32.6	Very low	33.6	Very low	251 Å²	251	137.3 Å²	137.3	95%	0.947	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	27.4	-165	-134.2	178.3	-159.3	-118.7	6.9	114.8	L637	L637-R639 PolarHBondContact O-N 3.34Å
640	R	34.8	Very low	32.7	Very low	233 Å²	233	137 Å²	137	88%	0.879	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.2	-6	-174.5	-74.9	-170.8	171.7	-167.7	-2.2	115.9	P638 L642	P638-R640 PolarHBondContact O-N 3.12Å; R640-L642 VanDerWaalsContact C-N 3.34Å
641	L	32.9	Very low	32.2	Very low	123 Å²	123	137.3 Å²	137.3	64%	0.644	74%	0.742	S	S	*	*	S	Bend	trans	-86.3	4.4	177	-67.6	176.5	0	0	0	114.5
642	L	32.4	Very low	32.1	Very low	139 Å²	139	141.6 Å²	141.6	73%	0.728	76%	0.76	S	S	*	*	S	Bend	trans	-139.8	140.1	174	-69.8	95.7	0	0	0	111.9	R640	R640-L642 VanDerWaalsContact C-N 3.34Å
643	S	31.2	Very low	32.1	Very low	104 Å²	104	144.2 Å²	144.2	73%	0.727	75%	0.75	S	S	*	*			trans	68.7	121.1	178	-163.8	0	0	0	0	113.9
644	S	31.5	Very low	32.3	Very low	89 Å²	89	147 Å²	147	62%	0.622	76%	0.763	S	S	*	*	S	Bend		-109.9	-28.8	56.1	46.4	0	0	0	0	118.4	M646	S644-M646 VanDerWaalsContact C-N 3.34Å; S644-M646 PolarHBondContact O-N 2.9Å
645	D	32.4	Very low	32.3	Very low	154 Å²	154	147.3 Å²	147.3	82%	0.824	76%	0.759	S	S	*	*	S	Bend	trans	-80.7	-9.9	-164.1	-63.7	-48.6	0	0	0	115.4	K647	D645-K647 PolarHBondContact O-N 2.88Å
646	M	32.7	Very low	32.4	Very low	179 Å²	179	143.1 Å²	143.1	88%	0.882	76%	0.76	S	S	*	*			trans	-78.1	50.7	176.9	-160	74.7	82.9	0	0	112.3	S644	S644-M646 VanDerWaalsContact C-N 3.34Å; S644-M646 PolarHBondContact O-N 2.9Å
647	K	33	Very low	32.2	Very low	186 Å²	186	142.6 Å²	142.6	81%	0.809	76%	0.756	S	S	*	*	S	Bend	trans	-145.4	35.7	-179.4	-141.3	166.5	-171.7	173.7	0	115.5	D645	D645-K647 PolarHBondContact O-N 2.88Å
648	R	31	Very low	32.1	Very low	222 Å²	222	143.9 Å²	143.9	84%	0.838	77%	0.768	S	S	*	*	S	Bend	trans	-145.8	149.7	159.7	-87.6	140.3	-163.4	-144.6	2.9	108.3
649	H	28.9	Very low	32.2	Very low	179 Å²	179	147.9 Å²	147.9	83%	0.829	79%	0.791	S	S	*	*			trans	71.6	71.2	177.3	-49.9	-65.1	0	0	0	117.9
650	C	27	Very low	32	Very low	123 Å²	123	143.5 Å²	143.5	83%	0.831	79%	0.787	S	S	*	*			trans	-144.4	149.3	141	-87.8	0	0	0	0	106.8
651	S	34.1	Very low	31.9	Very low	109 Å²	109	136 Å²	136	76%	0.762	78%	0.782	S	S	*	*			trans	82.7	123.6	-147.7	-40.6	0	0	0	0	110.5
652	D	34.7	Very low	31.7	Very low	161 Å²	161	137.5 Å²	137.5	86%	0.861	79%	0.791	S	S	*	*			cis	-128	-171.2	11.2	-67.5	-57.2	0	0	0	114.1
653	D	34.7	Very low	31.7	Very low	152 Å²	152	136.1 Å²	136.1	81%	0.813	79%	0.792	S	S	*	*			trans	-72.4	160	-159.6	-89.4	-65.7	0	0	0	120.2
654	S	34.2	Very low	31.8	Very low	102 Å²	102	136.2 Å²	136.2	71%	0.713	79%	0.793	S	S	*	*			trans	74.9	119.5	145.2	-76	0	0	0	0	123.8
655	S	30.7	Very low	31.7	Very low	115 Å²	115	139 Å²	139	80%	0.804	81%	0.807	S	S	*	*			trans	77.2	118.8	135.5	-60.5	0	0	0	0	120.9
656	P	32.9	Very low	31.6	Very low	129 Å²	129	135.8 Å²	135.8	84%	0.838	81%	0.809	S	S	*	*			trans	-109.9	146.3	178.1	38.5	-31.2	0	0	0	115.3
657	S	29.7	Very low	31.5	Very low	111 Å²	111	132.8 Å²	132.8	78%	0.776	81%	0.806	S	S	*	*			trans	-161.9	125.9	155.2	51.3	0	0	0	0	116.1
658	T	31	Very low	31.2	Very low	127 Å²	127	128.7 Å²	128.7	78%	0.779	80%	0.801	S	S	*	*			trans	54.2	124.9	140.1	51.7	0	0	0	0	125.7
659	V	32.7	Very low	31.2	Very low	118 Å²	118	125 Å²	125	72%	0.715	80%	0.803	S	S	*	*				97	114.7	122.8	166.2	0	0	0	0	123.3
660	N	29.4	Very low	31.1	Very low	158 Å²	158	124.4 Å²	124.4	85%	0.845	81%	0.805	S	S	*	*			trans	50.8	152.4	141	-54.9	-5.3	0	0	0	124.8
661	G	31.7	Very low	31.4	Very low	75 Å²	75	124.4 Å²	124.4	77%	0.773	80%	0.804	S	S	*	*			trans	156.7	45.7	158.9	0	0	0	0	0	124.7
662	N	30.5	Very low	31.6	Very low	156 Å²	156	123.2 Å²	123.2	83%	0.834	80%	0.8	S	S	*	*			trans	23.7	119.8	151.7	-70	8.8	0	0	0	126.3
663	S	30.7	Very low	31.8	Very low	109 Å²	109	121.7 Å²	121.7	76%	0.762	80%	0.797	S	S	*	*				57.9	126.1	122.4	71.1	0	0	0	0	127
664	S	33.8	Very low	32.7	Very low	106 Å²	106	117.7 Å²	117.7	74%	0.741	78%	0.778	S	S	*	*			trans	-173	97.7	132.7	58.9	0	0	0	0	112.4
665	T	30.1	Very low	34.2	Very low	149 Å²	149	114.1 Å²	114.1	91%	0.914	75%	0.753	S	S	*	*				64.2	113.5	103.9	57.1	0	0	0	0	118.7
666	G	30.3	Very low	36.2	Very low	85 Å²	85	114.2 Å²	114.2	88%	0.876	74%	0.739	S	S	*	*			trans	-157.8	139.8	164.5	0	0	0	0	0	110.9
667	S	29.6	Very low	38.1	Very low	116 Å²	116	108.1 Å²	108.1	81%	0.811	70%	0.699	S	S	*	*			trans	-142.6	154.2	-163.4	-148	0	0	0	0	109.8
668	S	26.6	Very low	40	Very low	100 Å²	100	104 Å²	104	70%	0.699	67%	0.668	S	S	*	*			cis	-178	137.4	-19.8	45.5	0	0	0	0	109.5
669	T	30.9	Very low	41.8	Very low	144 Å²	144	99 Å²	99	88%	0.883	64%	0.637	S	S	*	*			trans	-145.8	135.3	164.1	-39.5	0	0	0	0	110.2
670	L	27.9	Very low	44	Very low	168 Å²	168	95.7 Å²	95.7	88%	0.88	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-92.6	137.1	179.4	-72.1	168.4	0	0	0	111.7
671	P	32.7	Very low	46.3	Very low	122 Å²	122	91.4 Å²	91.4	79%	0.792	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-71.7	138	168.5	-15	30.1	0	0	0	111.6
672	A	38.3	Very low	48.5	Very low	84 Å²	84	92.7 Å²	92.7	69%	0.694	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-71.8	154.1	175.1	0	0	0	0	0	112.5	T674	A672-T674 PolarHBondContact O-N 2.52Å
673	V	39.2	Very low	50.8	Low	130 Å²	130	91.9 Å²	91.9	79%	0.788	57%	0.569	S	S	*	*			trans	-73.6	94.5	178.7	-178	0	0	0	0	110.1
674	T	53.4	Low	53.2	Low	68 Å²	68	86.7 Å²	86.7	42%	0.417	53%	0.533	S	S	.	.			trans	-87.3	113.2	178.2	61.8	0	0	0	0	112.2	A672 K683 C684	A672-T674 PolarHBondContact O-N 2.52Å; T674-K683 HydrophobicContact CG2-CB 4.38Å; T674-C684 CarbonylContact C-O 3.57Å; T674-C684 VanDerWaalsContact CA-O 3.25Å; T674-C684 WeakPolarHBondContact CA-O 3.42Å
675	S	65.9	Low	55.2	Low	27 Å²	27	85.9 Å²	85.9	19%	0.189	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.1	172.5	-49	0	0	0	0	110.2	C684	S675-C684 PolarHBondContact N-O 3.27Å; S675-C684 WeakPolarHBondContact O-CB 3.44Å; S675-C684 PolarHBondContact O-N 3.48Å
676	K	73	Confident	57.5	Low	117 Å²	117	81.1 Å²	81.1	51%	0.509	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	145.5	177.9	-79.4	-169.2	170.9	-164.6	0	112.8	D681 K683 L690	K676-D681 IonicContact NZ-OD2 3.99Å; K676-D681 PolarHBondContact NZ-OD2 3.27Å; K676-K683 HydrophobicContact CG-CG 4.4Å; K676-L690 WeakPolarHBondContact O-CD1 3.45Å
677	C	73.6	Confident	59.6	Low	0 Å²	0	80.6 Å²	80.6	0%	0	48%	0.475	C	S	.	.			trans	-77.6	114.7	169.6	-168.6	0	0	0	0	112.1	I679 C680 D681 K682 L690 H693	C677-I679 PolarHBondContact O-N 3.38Å; C677-C680 PolarHBondContact O-N 3.28Å; C677-D681 WeakPolarHBondContact O-CA 3.49Å; C677-D681 PolarHBondContact O-N 3.28Å; C677-K682 HydrophobicContact CB-CB 4.33Å; C677-K682 WeakPolarHBondContact CB-O 3.15Å; C677-K682 PolarHBondContact N-O 3.31Å; C677-L690 HydrophobicContact CB-CD1 4.09Å; C677-H693 VanDerWaalsContact CB-CD2 3.44Å; C677-H693 WeakPolarHBondContact CB-CD2 3.25Å; C677-H693 WeakPolarHBondContact CB-NE2 3.26Å; C677-H693 PolarHBondContact SG-CD2 2.82Å; C677-H693 PolarHBondContact SG-NE2 2.97Å
678	N	67.9	Low	61.9	Low	25 Å²	25	79.2 Å²	79.2	13%	0.134	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	21	173.2	69.1	-34.2	0	0	0	114.3	K694 S870 S872	N678-K694 WeakPolarHBondContact OD1-CE 3.37Å; N678-S870 WeakPolarHBondContact CA-OG 3.24Å; N678-S870 WeakPolarHBondContact O-CB 3.46Å; N678-S870 PolarHBondContact O-OG 3.19Å; N678-S872 WeakPolarHBondContact CB-OG 3.16Å
679	I	70.3	Confident	64.5	Low	23 Å²	23	77.3 Å²	77.3	12%	0.118	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136	-7	-175.1	-46.2	-175.2	0	0	0	112.4	C677 K694 H697 K873	C677-I679 PolarHBondContact O-N 3.38Å; I679-K694 HydrophobicContact CD1-CB 4.21Å; I679-K694 HydrophobicContact CD1-CG 4.03Å; I679-H697 HydrophobicContact CB-CB 4.41Å; I679-H697 HydrophobicContact CD1-CB 4.49Å; I679-H697 HydrophobicContact CG2-CB 3.39Å; I679-K873 VanDerWaalsContact CG2-NZ 3.31Å; I679-K873 PolarHBondContact O-NZ 3.43Å
680	C	78.7	Confident	66.9	Low	48 Å²	48	70.9 Å²	70.9	32%	0.324	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-166.5	22.2	164.1	62.4	0	0	0	0	113.6	C677 K682 H693 H697	C677-C680 PolarHBondContact O-N 3.28Å; C680-K682 PolarHBondContact O-N 3.35Å; C680-H693 VanDerWaalsContact SG-CE1 3.51Å; C680-H693 PolarHBondContact SG-NE2 3.37Å; C680-H697 WeakPolarHBondContact CB-NE2 3.35Å; C680-H697 PolarHBondContact SG-NE2 3.39Å
681	D	76.9	Confident	69.5	Low	68 Å²	68	62.9 Å²	62.9	36%	0.364	35%	0.354	S	S	.	.			trans	54.9	1.6	-178	-104.8	40.7	0	0	0	118.3	K676 C677 K683	K676-D681 IonicContact NZ-OD2 3.99Å; K676-D681 PolarHBondContact NZ-OD2 3.27Å; C677-D681 WeakPolarHBondContact O-CA 3.49Å; C677-D681 PolarHBondContact O-N 3.28Å; D681-K683 PolarHBondContact O-N 3.46Å
682	K	77.7	Confident	71.8	Confident	102 Å²	102	61.8 Å²	61.8	44%	0.443	34%	0.339	S	S	.	.			trans	-53	128	175.5	-170.3	-171.4	177.8	-164	0	111.5	C677 C680 H693	C677-K682 HydrophobicContact CB-CB 4.33Å; C677-K682 WeakPolarHBondContact CB-O 3.15Å; C677-K682 PolarHBondContact N-O 3.31Å; C680-K682 PolarHBondContact O-N 3.35Å; K682-H693 WeakPolarHBondContact CB-NE2 3.42Å
683	K	80.1	Confident	73.9	Confident	138 Å²	138	58.3 Å²	58.3	60%	0.6	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	125.9	171.5	-68.2	178.5	-175.4	176	0	110.1	T674 K676 D681	T674-K683 HydrophobicContact CG2-CB 4.38Å; K676-K683 HydrophobicContact CG-CG 4.4Å; D681-K683 PolarHBondContact O-N 3.46Å
684	C	79.7	Confident	75.8	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.6	171.7	-58.7	0	0	0	0	109.5	T674 S675 S686 E689 L690	T674-C684 CarbonylContact C-O 3.57Å; T674-C684 VanDerWaalsContact CA-O 3.25Å; T674-C684 WeakPolarHBondContact CA-O 3.42Å; S675-C684 PolarHBondContact N-O 3.27Å; S675-C684 WeakPolarHBondContact O-CB 3.44Å; S675-C684 PolarHBondContact O-N 3.48Å; C684-S686 VanDerWaalsContact C-N 3.34Å; C684-E689 HydrophobicContact CB-CB 4.1Å; C684-E689 HydrophobicContact CB-CG 4.03Å; C684-L690 HydrophobicContact CB-CB 4.01Å
685	S	76.2	Confident	77.1	Confident	89 Å²	89	50.7 Å²	50.7	62%	0.622	26%	0.259	S	S	*	.	S	Bend	trans	-76.4	-17.6	-178.6	64.2	0	0	0	0	114.3	E689	S685-E689 WeakPolarHBondContact CB-OE2 3.42Å; S685-E689 PolarHBondContact N-OE2 3.19Å; S685-E689 PolarHBondContact OG-OE2 3.25Å
686	S	78.5	Confident	77.7	Confident	48 Å²	48	54.3 Å²	54.3	34%	0.336	27%	0.273	S	S	.	.	S	Bend	trans	-152.9	163.1	-178.2	66.9	0	0	0	0	112	C684 H688 E689 L690	C684-S686 VanDerWaalsContact C-N 3.34Å; S686-H688 PolarHBondContact O-N 3.01Å; S686-E689 PolarHBondContact O-N 3.34Å; S686-E689 PolarHBondContact OG-N 3.42Å; S686-E689 VanDerWaalsContact OG-N 3.1Å; S686-L690 PolarHBondContact O-N 2.82Å
687	M	73.7	Confident	77.8	Confident	75 Å²	75	52.9 Å²	52.9	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-62.4	-29.6	171.9	-75.4	-56.8	-56.8	0	0	113.3	L690 A691 I746	M687-L690 HydrophobicContact CE-CD2 4.02Å; M687-L690 HydrophobicContact SD-CD2 3.95Å; M687-A691 WeakPolarHBondContact O-CB 3.24Å; M687-A691 PolarHBondContact O-N 3.32Å; M687-I746 HydrophobicContact CB-CD1 3.88Å
688	H	78.9	Confident	77.7	Confident	87 Å²	87	53.4 Å²	53.4	40%	0.403	27%	0.271	S	S	.	.	H	α-helix	trans	-71.5	-42	175.9	-168.8	-41.6	0	0	0	111.4	S686 A691 Q692	S686-H688 PolarHBondContact O-N 3.01Å; H688-A691 PolarHBondContact O-N 3.13Å; H688-Q692 VanDerWaalsContact CE1-CD 3.46Å; H688-Q692 PolarHBondContact ND1-OE1 3.37Å; H688-Q692 PolarHBondContact O-N 3.3Å
689	E	81.3	Confident	77.6	Confident	59 Å²	59	62 Å²	62	28%	0.276	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-42.4	173.6	-172.9	-172.1	176.2	0	0	110.5	C684 S685 S686 A691 Q692 H693	C684-E689 HydrophobicContact CB-CB 4.1Å; C684-E689 HydrophobicContact CB-CG 4.03Å; S685-E689 WeakPolarHBondContact CB-OE2 3.42Å; S685-E689 PolarHBondContact N-OE2 3.19Å; S685-E689 PolarHBondContact OG-OE2 3.25Å; S686-E689 PolarHBondContact O-N 3.34Å; S686-E689 PolarHBondContact OG-N 3.42Å; S686-E689 VanDerWaalsContact OG-N 3.1Å; E689-A691 PolarHBondContact O-N 3.2Å; E689-Q692 PolarHBondContact O-N 3.26Å; E689-H693 WeakPolarHBondContact O-CB 3.26Å; E689-H693 PolarHBondContact O-N 3.35Å
690	L	81.6	Confident	77.3	Confident	9 Å²	9	63.3 Å²	63.3	5%	0.047	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-46.2	174.7	174.1	58.3	0	0	0	111.8	K676 C677 C684 S686 M687 H693 K694	K676-L690 WeakPolarHBondContact O-CD1 3.45Å; C677-L690 HydrophobicContact CB-CD1 4.09Å; C684-L690 HydrophobicContact CB-CB 4.01Å; S686-L690 PolarHBondContact O-N 2.82Å; M687-L690 HydrophobicContact CE-CD2 4.02Å; M687-L690 HydrophobicContact SD-CD2 3.95Å; L690-H693 PolarHBondContact O-N 2.78Å; L690-K694 HydrophobicContact CD1-CD 4.48Å; L690-K694 HydrophobicContact CD1-CG 4.13Å; L690-K694 WeakPolarHBondContact O-CG 3.29Å; L690-K694 PolarHBondContact O-N 2.92Å
691	A	81.7	Confident	76.4	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-65	-43	179.2	0	0	0	0	0	112.4	M687 H688 E689 H693 L695 I746 E747 T750	M687-A691 WeakPolarHBondContact O-CB 3.24Å; M687-A691 PolarHBondContact O-N 3.32Å; H688-A691 PolarHBondContact O-N 3.13Å; E689-A691 PolarHBondContact O-N 3.2Å; A691-H693 VanDerWaalsContact C-N 3.32Å; A691-H693 PolarHBondContact O-N 2.81Å; A691-L695 PolarHBondContact O-N 3.09Å; A691-I746 HydrophobicContact CB-CG2 4.1Å; A691-E747 HydrophobicContact CB-CG 3.8Å; A691-T750 HydrophobicContact CB-CG2 3.92Å
692	Q	81.6	Confident	75.7	Confident	99 Å²	99	67.3 Å²	67.3	46%	0.463	33%	0.33	S	S	.	.	H	α-helix	trans	-63.7	-36.4	172.6	-77.5	178.3	-44.6	0	0	112.8	H688 E689 L695 T750	H688-Q692 VanDerWaalsContact CE1-CD 3.46Å; H688-Q692 PolarHBondContact ND1-OE1 3.37Å; H688-Q692 PolarHBondContact O-N 3.3Å; E689-Q692 PolarHBondContact O-N 3.26Å; Q692-L695 WeakPolarHBondContact O-CB 3.42Å; Q692-L695 PolarHBondContact O-N 2.89Å; Q692-T750 HydrophobicContact CG-CG2 4.44Å
693	H	81.8	Confident	75.2	Confident	11 Å²	11	64.3 Å²	64.3	5%	0.051	32%	0.322	C	S	.	.	H	α-helix	trans	-75.8	-35.7	180	175.7	46.4	0	0	0	112.2	C677 C680 K682 E689 L690 A691 L695 Q696 H697	C677-H693 VanDerWaalsContact CB-CD2 3.44Å; C677-H693 WeakPolarHBondContact CB-CD2 3.25Å; C677-H693 WeakPolarHBondContact CB-NE2 3.26Å; C677-H693 PolarHBondContact SG-CD2 2.82Å; C677-H693 PolarHBondContact SG-NE2 2.97Å; C680-H693 VanDerWaalsContact SG-CE1 3.51Å; C680-H693 PolarHBondContact SG-NE2 3.37Å; K682-H693 WeakPolarHBondContact CB-NE2 3.42Å; E689-H693 WeakPolarHBondContact O-CB 3.26Å; E689-H693 PolarHBondContact O-N 3.35Å; L690-H693 PolarHBondContact O-N 2.78Å; A691-H693 VanDerWaalsContact C-N 3.32Å; A691-H693 PolarHBondContact O-N 2.81Å; H693-L695 VanDerWaalsContact C-N 3.25Å; H693-L695 PolarHBondContact O-N 2.75Å; H693-Q696 PolarHBondContact ND1-OE1 3.21Å; H693-Q696 VanDerWaalsContact O-CB 3.32Å; H693-Q696 WeakPolarHBondContact O-CB 3.05Å; H693-Q696 PolarHBondContact O-N 3.4Å; H693-Q696 VanDerWaalsContact O-N 3.07Å; H693-H697 PolarHBondContact O-CD2 2.68Å; H693-H697 VanDerWaalsContact O-CD2 3.29Å
694	K	80.2	Confident	75	Confident	26 Å²	26	62 Å²	62	11%	0.113	31%	0.313	C	S	.	.	H	α-helix	trans	-56.7	-39.2	168.4	-75.7	-177.1	-174.3	-170.1	0	112.2	N678 I679 L690 Q696 H697 E747	N678-K694 WeakPolarHBondContact OD1-CE 3.37Å; I679-K694 HydrophobicContact CD1-CB 4.21Å; I679-K694 HydrophobicContact CD1-CG 4.03Å; L690-K694 HydrophobicContact CD1-CD 4.48Å; L690-K694 HydrophobicContact CD1-CG 4.13Å; L690-K694 WeakPolarHBondContact O-CG 3.29Å; L690-K694 PolarHBondContact O-N 2.92Å; K694-Q696 VanDerWaalsContact C-N 3.26Å; K694-Q696 PolarHBondContact O-N 3.44Å; K694-H697 PolarHBondContact O-N 3.45Å; K694-H697 VanDerWaalsContact O-N 3.11Å; K694-E747 WeakPolarHBondContact CD-OE1 3.35Å; K694-E747 VanDerWaalsContact CE-OE1 3.31Å; K694-E747 WeakPolarHBondContact CE-OE1 3.39Å; K694-E747 IonicContact NZ-OE1 3.09Å; K694-E747 PolarHBondContact NZ-OE1 3.3Å
695	L	80.7	Confident	75.1	Confident	11 Å²	11	66.8 Å²	66.8	6%	0.058	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-28.1	176.3	-76	167.6	0	0	0	113.4	A691 Q692 H693 H697 C698 H751 F754	A691-L695 PolarHBondContact O-N 3.09Å; Q692-L695 WeakPolarHBondContact O-CB 3.42Å; Q692-L695 PolarHBondContact O-N 2.89Å; H693-L695 VanDerWaalsContact C-N 3.25Å; H693-L695 PolarHBondContact O-N 2.75Å; L695-H697 PolarHBondContact O-N 2.82Å; L695-H697 VanDerWaalsContact O-N 3.12Å; L695-C698 VanDerWaalsContact O-CB 3.27Å; L695-C698 WeakPolarHBondContact O-CB 3.4Å; L695-C698 PolarHBondContact O-N 3.33Å; L695-H751 VanDerWaalsContact CD2-CE1 3.48Å; L695-H751 WeakPolarHBondContact CD2-CE1 3.47Å; L695-H751 WeakPolarHBondContact CD2-NE2 3.32Å; L695-F754 HydrophobicContact CD1-CB 3.83Å; L695-F754 HydrophobicContact CD1-CD2 4.36Å; L695-F754 HydrophobicContact CD1-CG 4.05Å; L695-F754 HydrophobicContact CD2-CB 4.25Å; L695-F754 HydrophobicContact CD2-CD1 3.7Å; L695-F754 HydrophobicContact CD2-CE1 4.15Å; L695-F754 HydrophobicContact CD2-CG 3.98Å; L695-F754 HydrophobicContact CG-CG 4.49Å
696	Q	78.3	Confident	75.5	Confident	103 Å²	103	62.7 Å²	62.7	48%	0.481	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.2	175.1	-61.5	-179.1	-37.6	0	0	113.1	H693 K694	H693-Q696 PolarHBondContact ND1-OE1 3.21Å; H693-Q696 VanDerWaalsContact O-CB 3.32Å; H693-Q696 WeakPolarHBondContact O-CB 3.05Å; H693-Q696 PolarHBondContact O-N 3.4Å; H693-Q696 VanDerWaalsContact O-N 3.07Å; K694-Q696 VanDerWaalsContact C-N 3.26Å; K694-Q696 PolarHBondContact O-N 3.44Å
697	H	73.9	Confident	75.6	Confident	88 Å²	88	63.9 Å²	63.9	41%	0.407	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	4.6	176.6	-55.1	-83.9	0	0	0	113.4	I679 C680 H693 K694 L695 K699	I679-H697 HydrophobicContact CB-CB 4.41Å; I679-H697 HydrophobicContact CD1-CB 4.49Å; I679-H697 HydrophobicContact CG2-CB 3.39Å; C680-H697 WeakPolarHBondContact CB-NE2 3.35Å; C680-H697 PolarHBondContact SG-NE2 3.39Å; H693-H697 PolarHBondContact O-CD2 2.68Å; H693-H697 VanDerWaalsContact O-CD2 3.29Å; K694-H697 PolarHBondContact O-N 3.45Å; K694-H697 VanDerWaalsContact O-N 3.11Å; L695-H697 PolarHBondContact O-N 2.82Å; L695-H697 VanDerWaalsContact O-N 3.12Å; H697-K699 PolarHBondContact O-N 3.07Å
698	C	72.1	Confident	76	Confident	10 Å²	10	64.4 Å²	64.4	7%	0.068	32%	0.318	C	S	.	.			trans	-75.7	115.8	-179.8	-167.8	0	0	0	0	111	L695 V700 C738 Q740	L695-C698 VanDerWaalsContact O-CB 3.27Å; L695-C698 WeakPolarHBondContact O-CB 3.4Å; L695-C698 PolarHBondContact O-N 3.33Å; C698-V700 PolarHBondContact O-N 3.29Å; C698-C738 VanDerWaalsContact SG-CB 3.5Å; C698-Q740 PolarHBondContact SG-OE1 3.27Å
699	K	65.1	Low	76.3	Confident	206 Å²	206	63 Å²	63	90%	0.896	32%	0.317	S	S	*	.	S	Bend	trans	-66.3	-22	177.7	-67.3	-173.4	178.4	-178.2	0	113.7	H697 I701	H697-K699 PolarHBondContact O-N 3.07Å; K699-I701 PolarHBondContact O-N 3.33Å
700	V	64.3	Low	76.4	Confident	51 Å²	51	69.8 Å²	69.8	31%	0.309	34%	0.34	S	S	.	.			trans	-99.4	82.2	178.1	-176.6	0	0	0	0	108.4	C698 C738 H755	C698-V700 PolarHBondContact O-N 3.29Å; V700-C738 HydrophobicContact CB-CB 3.71Å; V700-C738 HydrophobicContact CG1-CB 4.24Å; V700-C738 HydrophobicContact CG2-CB 4.25Å; V700-H755 PolarHBondContact O-CE1 3Å
701	I	59.5	Low	76.5	Confident	101 Å²	101	70.9 Å²	70.9	52%	0.518	35%	0.351	S	S	.	.			trans	-64.9	-43.8	-172.2	-44.7	180	0	0	0	110.9	K699 F754	K699-I701 PolarHBondContact O-N 3.33Å; I701-F754 HydrophobicContact CG2-CZ 4.03Å; I701-F754 WeakPolarHBondContact O-CE1 3.38Å; I701-F754 WeakPolarHBondContact O-CZ 3.35Å
702	H	62.2	Low	76.6	Confident	98 Å²	98	75 Å²	75	45%	0.454	38%	0.377	S	S	.	.			trans	-142.6	133.1	178.6	-58	106.5	0	0	0	111.4	R757	H702-R757 PolarHBondContact CD2-NE 3.47Å; H702-R757 VanDerWaalsContact CD2-NE 3.31Å
703	S	67.9	Low	76.7	Confident	39 Å²	39	70.2 Å²	70.2	27%	0.273	36%	0.355	S	S	.	.			trans	-160.4	130.6	160.9	166.8	0	0	0	0	107.5	M705 I737	S703-M705 VanDerWaalsContact C-N 3.29Å; S703-M705 PolarHBondContact OG-N 3.43Å; S703-M705 VanDerWaalsContact OG-N 3.1Å; S703-M705 PolarHBondContact OG-O 3.28Å; S703-I737 WeakPolarHBondContact O-CG2 3.27Å
704	E	75	Confident	76.7	Confident	91 Å²	91	74.4 Å²	74.4	43%	0.425	38%	0.381	S	S	.	.			trans	-92.6	7.6	173.2	-69.1	165.7	-147.2	0	0	111	P712 I713 R757	E704-P712 CarbonylContact O-C 3.58Å; E704-P712 WeakPolarHBondContact O-CA 3.25Å; E704-I713 PolarHBondContact O-N 3.11Å; E704-R757 IonicContact OE1-CZ 3.62Å; E704-R757 IonicContact OE1-NH1 3.68Å; E704-R757 PolarHBondContact OE1-NH1 3.48Å
705	M	82.6	Confident	76.9	Confident	101 Å²	101	74.7 Å²	74.7	50%	0.498	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-108.2	139.1	-179.5	-58	-176.7	76.3	0	0	112	S703 N707 R710	S703-M705 VanDerWaalsContact C-N 3.29Å; S703-M705 PolarHBondContact OG-N 3.43Å; S703-M705 VanDerWaalsContact OG-N 3.1Å; S703-M705 PolarHBondContact OG-O 3.28Å; M705-N707 PolarHBondContact O-N 3.18Å; M705-R710 HydrophobicContact CE-CB 4.33Å; M705-R710 WeakPolarHBondContact CE-O 3.14Å
706	C	84.1	Confident	77.1	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.014	39%	0.394	C	S	.	.			trans	-64.9	126.8	170.7	-176.4	0	0	0	0	111.2	V708 C709 R710 A711 I713 H726 V736	C706-V708 PolarHBondContact O-N 3.02Å; C706-V708 PolarHBondContact SG-N 3.49Å; C706-C709 WeakPolarHBondContact CB-SG 3.3Å; C706-R710 WeakPolarHBondContact O-CA 3.45Å; C706-R710 PolarHBondContact O-N 2.91Å; C706-A711 WeakPolarHBondContact CB-O 3.42Å; C706-A711 PolarHBondContact N-O 3.12Å; C706-I713 HydrophobicContact CB-CD1 3.96Å; C706-I713 HydrophobicContact CB-CG1 4.29Å; C706-H726 PolarHBondContact SG-CD2 2.93Å; C706-V736 CarbonylContact C-O 3.47Å; C706-V736 WeakPolarHBondContact CA-O 3.44Å
707	N	81.3	Confident	77.5	Confident	73 Å²	73	78.1 Å²	78.1	39%	0.39	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-11.7	179.2	-148.8	-60.4	0	0	0	113.1	M705 V736 I737 K739	M705-N707 PolarHBondContact O-N 3.18Å; N707-V736 WeakPolarHBondContact CB-O 3.38Å; N707-V736 PolarHBondContact N-O 3.29Å; N707-I737 PolarHBondContact ND2-O 3.16Å; N707-K739 HydrophobicContact CB-CG 4.43Å; N707-K739 WeakPolarHBondContact OD1-CE 3.43Å; N707-K739 PolarHBondContact OD1-NZ 3.15Å
708	V	82	Confident	78	Confident	86 Å²	86	77.4 Å²	77.4	52%	0.521	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-64.4	-178.7	-174.5	0	0	0	0	111.1	C706 H726	C706-V708 PolarHBondContact O-N 3.02Å; C706-V708 PolarHBondContact SG-N 3.49Å; V708-H726 HydrophobicContact CB-CB 4.41Å; V708-H726 HydrophobicContact CG1-CB 4.39Å; V708-H726 HydrophobicContact CG2-CB 4.2Å
709	C	84.7	Confident	78.8	Confident	58 Å²	58	76.9 Å²	76.9	39%	0.392	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-6.6	-177.5	64.9	0	0	0	0	115.1	C706 A711 H722 H726	C706-C709 WeakPolarHBondContact CB-SG 3.3Å; C709-A711 PolarHBondContact O-N 3.19Å; C709-A711 VanDerWaalsContact O-N 3.09Å; C709-A711 WeakPolarHBondContact SG-CB 3.45Å; C709-A711 PolarHBondContact SG-N 3.43Å; C709-A711 VanDerWaalsContact SG-N 3.44Å; C709-H722 VanDerWaalsContact SG-CD2 3.55Å; C709-H726 PolarHBondContact SG-NE2 2.93Å; C709-H726 VanDerWaalsContact SG-NE2 3.36Å
710	R	83	Confident	79.9	Confident	201 Å²	201	68.9 Å²	68.9	76%	0.758	36%	0.363	S	S	*	.			trans	59.4	7.8	-171.7	-56.5	-177.1	179.3	-177.5	-0.3	115.6	M705 C706	M705-R710 HydrophobicContact CE-CB 4.33Å; M705-R710 WeakPolarHBondContact CE-O 3.14Å; C706-R710 WeakPolarHBondContact O-CA 3.45Å; C706-R710 PolarHBondContact O-N 2.91Å
711	A	83.9	Confident	80.9	Confident	33 Å²	33	68.5 Å²	68.5	27%	0.273	37%	0.366	S	S	.	.			trans	-68	147	172	0	0	0	0	0	111.3	C706 C709	C706-A711 WeakPolarHBondContact CB-O 3.42Å; C706-A711 PolarHBondContact N-O 3.12Å; C709-A711 PolarHBondContact O-N 3.19Å; C709-A711 VanDerWaalsContact O-N 3.09Å; C709-A711 WeakPolarHBondContact SG-CB 3.45Å; C709-A711 PolarHBondContact SG-N 3.43Å; C709-A711 VanDerWaalsContact SG-N 3.44Å
712	P	83.9	Confident	82.3	Confident	86 Å²	86	65 Å²	65	56%	0.558	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-69.3	148.2	172.1	30.2	-34.6	0	0	0	111.3	E704	E704-P712 CarbonylContact O-C 3.58Å; E704-P712 WeakPolarHBondContact O-CA 3.25Å
713	I	83.3	Confident	83.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.328	C	S	.	.			trans	-123.6	109.6	176.8	-51.1	-174.2	0	0	0	106.7	E704 C706 Q718 F719 H722 V736 I737 L756	E704-I713 PolarHBondContact O-N 3.11Å; C706-I713 HydrophobicContact CB-CD1 3.96Å; C706-I713 HydrophobicContact CB-CG1 4.29Å; I713-Q718 HydrophobicContact CG2-CB 3.91Å; I713-F719 HydrophobicContact CG2-CB 3.78Å; I713-H722 HydrophobicContact CD1-CB 4.06Å; I713-V736 HydrophobicContact CD1-CG2 3.71Å; I713-I737 HydrophobicContact CD1-CD1 4.26Å; I713-I737 HydrophobicContact CD1-CG1 4.09Å; I713-L756 HydrophobicContact CB-CD2 4.46Å; I713-L756 HydrophobicContact CG2-CD2 4.1Å; I713-L756 WeakPolarHBondContact O-CD2 3.19Å
714	T	81.8	Confident	84.2	Confident	98 Å²	98	67.2 Å²	67.2	60%	0.601	35%	0.346	S	S	*	.			trans	-112.8	-8.3	-173.9	64.3	0	0	0	0	114	Q718	T714-Q718 PolarHBondContact OG1-NE2 3.45Å; T714-Q718 PolarHBondContact OG1-OE1 3.29Å
715	S	85.1	Confident	84.6	Confident	32 Å²	32	68.5 Å²	68.5	22%	0.224	36%	0.356	C	S	.	.	S	Bend	trans	-136.4	159.7	176.2	84.6	0	0	0	0	113	E717 Q718 F719 L756	S715-E717 PolarHBondContact O-N 3.13Å; S715-E717 PolarHBondContact OG-N 2.87Å; S715-Q718 PolarHBondContact O-N 3.12Å; S715-Q718 WeakPolarHBondContact OG-CG 3.09Å; S715-Q718 PolarHBondContact OG-N 3.02Å; S715-Q718 VanDerWaalsContact OG-N 3.12Å; S715-F719 PolarHBondContact O-N 3.5Å; S715-L756 WeakPolarHBondContact O-CD1 3.37Å
716	V	85.8	Confident	84.6	Confident	37 Å²	37	66.1 Å²	66.1	22%	0.224	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-37.1	175.2	178.2	0	0	0	0	110.9	F719 F720 L756 L758	V716-F719 WeakPolarHBondContact O-CB 3.28Å; V716-F719 PolarHBondContact O-N 3.44Å; V716-F720 HydrophobicContact CG1-CD2 3.69Å; V716-F720 HydrophobicContact CG1-CE2 3.44Å; V716-F720 VanDerWaalsContact CG1-CE2 3.44Å; V716-F720 WeakPolarHBondContact O-CD2 3.19Å; V716-F720 PolarHBondContact O-N 3.46Å; V716-L756 HydrophobicContact CG2-CD1 4.08Å; V716-L758 HydrophobicContact CG2-CD1 3.29Å
717	E	85.3	Confident	84.3	Confident	149 Å²	149	67.8 Å²	67.8	70%	0.696	35%	0.352	S	S	*	.	H	α-helix	trans	-65.2	-43	176.7	-61.5	157.6	172.1	0	0	111.4	S715 F719 F720 A721	S715-E717 PolarHBondContact O-N 3.13Å; S715-E717 PolarHBondContact OG-N 2.87Å; E717-F719 VanDerWaalsContact C-N 3.31Å; E717-F719 PolarHBondContact O-N 3.18Å; E717-F720 PolarHBondContact O-N 2.94Å; E717-A721 VanDerWaalsContact O-CB 3.27Å; E717-A721 WeakPolarHBondContact O-CB 3.42Å; E717-A721 PolarHBondContact O-N 2.87Å
718	Q	85.8	Confident	83.4	Confident	73 Å²	73	69.6 Å²	69.6	34%	0.341	37%	0.37	S	S	.	.	H	α-helix	trans	-65.9	-32.8	174.1	-71	178.2	6.7	0	0	112.2	I713 T714 S715 A721 H722	I713-Q718 HydrophobicContact CG2-CB 3.91Å; T714-Q718 PolarHBondContact OG1-NE2 3.45Å; T714-Q718 PolarHBondContact OG1-OE1 3.29Å; S715-Q718 PolarHBondContact O-N 3.12Å; S715-Q718 WeakPolarHBondContact OG-CG 3.09Å; S715-Q718 PolarHBondContact OG-N 3.02Å; S715-Q718 VanDerWaalsContact OG-N 3.12Å; Q718-A721 PolarHBondContact O-N 3.33Å; Q718-H722 WeakPolarHBondContact O-CB 3.43Å; Q718-H722 PolarHBondContact O-N 3.36Å; Q718-H722 PolarHBondContact O-ND1 2.9Å
719	F	88.7	Confident	82.1	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-66.3	-47.7	174.2	179.1	-97	0	0	0	111	I713 S715 V716 E717 A721 H722 I723 V736 I737 M748 H751 S752 L756	I713-F719 HydrophobicContact CG2-CB 3.78Å; S715-F719 PolarHBondContact O-N 3.5Å; V716-F719 WeakPolarHBondContact O-CB 3.28Å; V716-F719 PolarHBondContact O-N 3.44Å; E717-F719 VanDerWaalsContact C-N 3.31Å; E717-F719 PolarHBondContact O-N 3.18Å; F719-A721 VanDerWaalsContact C-N 3.34Å; F719-A721 PolarHBondContact O-N 2.96Å; F719-H722 PolarHBondContact O-N 3.46Å; F719-I723 HydrophobicContact CD1-CD1 3.82Å; F719-I723 HydrophobicContact CE1-CD1 3.37Å; F719-I723 HydrophobicContact CE1-CG1 4.49Å; F719-I723 HydrophobicContact CZ-CD1 3.8Å; F719-I723 WeakPolarHBondContact O-CB 3.49Å; F719-I723 WeakPolarHBondContact O-CG1 3.33Å; F719-I723 PolarHBondContact O-N 3.27Å; F719-V736 HydrophobicContact CD2-CG2 3.88Å; F719-V736 HydrophobicContact CE2-CG2 3.92Å; F719-I737 HydrophobicContact CD2-CD1 3.79Å; F719-I737 HydrophobicContact CD2-CG1 4.35Å; F719-I737 HydrophobicContact CE2-CD1 3.83Å; F719-I737 HydrophobicContact CE2-CG1 4.17Å; F719-M748 WeakPolarHBondContact CE1-O 3.25Å; F719-H751 HydrophobicContact CZ-CB 3.98Å; F719-S752 VanDerWaalsContact CD1-CB 3.43Å; F719-L756 HydrophobicContact CB-CD1 4.39Å
720	F	87.8	Confident	80.8	Confident	37 Å²	37	70.2 Å²	70.2	16%	0.162	39%	0.386	C	S	.	.	H	α-helix	trans	-65.2	-34.8	173.5	-75.4	-61.8	0	0	0	113	V716 E717 I723 R724 M748 H749	V716-F720 HydrophobicContact CG1-CD2 3.69Å; V716-F720 HydrophobicContact CG1-CE2 3.44Å; V716-F720 VanDerWaalsContact CG1-CE2 3.44Å; V716-F720 WeakPolarHBondContact O-CD2 3.19Å; V716-F720 PolarHBondContact O-N 3.46Å; E717-F720 PolarHBondContact O-N 2.94Å; F720-I723 PolarHBondContact O-N 3.38Å; F720-R724 WeakPolarHBondContact O-CG 3.36Å; F720-R724 PolarHBondContact O-N 2.99Å; F720-M748 HydrophobicContact CD1-CE 3.89Å; F720-M748 HydrophobicContact CE1-CB 3.76Å; F720-M748 HydrophobicContact CE1-CE 3.78Å; F720-M748 HydrophobicContact CE1-SD 4.2Å; F720-M748 HydrophobicContact CZ-CB 4.29Å; F720-H749 AromaticContact CE2-CE1 3.73Å; F720-H749 AromaticContact CE2-NE2 3.85Å; F720-H749 AromaticContact CZ-CD2 3.87Å; F720-H749 AromaticContact CZ-CE1 3.94Å; F720-H749 AromaticContact CZ-NE2 3.71Å
721	A	86.1	Confident	79.4	Confident	44 Å²	44	63.1 Å²	63.1	36%	0.364	37%	0.365	S	S	.	.	H	α-helix	trans	-65.5	-48.2	175.2	0	0	0	0	0	111.7	E717 Q718 F719 I723 R724 L725	E717-A721 VanDerWaalsContact O-CB 3.27Å; E717-A721 WeakPolarHBondContact O-CB 3.42Å; E717-A721 PolarHBondContact O-N 2.87Å; Q718-A721 PolarHBondContact O-N 3.33Å; F719-A721 VanDerWaalsContact C-N 3.34Å; F719-A721 PolarHBondContact O-N 2.96Å; A721-I723 VanDerWaalsContact C-N 3.31Å; A721-I723 PolarHBondContact O-N 3.19Å; A721-R724 PolarHBondContact O-N 3.23Å; A721-L725 WeakPolarHBondContact O-CB 3.32Å; A721-L725 PolarHBondContact O-N 2.88Å
722	H	87.3	Confident	78.1	Confident	27 Å²	27	64.4 Å²	64.4	13%	0.125	37%	0.371	C	S	.	.	H	α-helix	trans	-62.6	-37	174	-79.4	100.1	0	0	0	112.3	C709 I713 Q718 F719 L725 H726 V736	C709-H722 VanDerWaalsContact SG-CD2 3.55Å; I713-H722 HydrophobicContact CD1-CB 4.06Å; Q718-H722 WeakPolarHBondContact O-CB 3.43Å; Q718-H722 PolarHBondContact O-N 3.36Å; Q718-H722 PolarHBondContact O-ND1 2.9Å; F719-H722 PolarHBondContact O-N 3.46Å; H722-L725 PolarHBondContact O-N 2.9Å; H722-H726 AromaticContact CD2-NE2 3.66Å; H722-H726 WeakPolarHBondContact O-CB 3.44Å; H722-H726 PolarHBondContact O-CD2 3.08Å; H722-H726 PolarHBondContact O-N 2.9Å; H722-V736 HydrophobicContact CB-CB 4.36Å; H722-V736 HydrophobicContact CB-CG1 4.27Å; H722-V736 HydrophobicContact CB-CG2 3.97Å
723	I	85.4	Confident	77.8	Confident	8 Å²	8	61.7 Å²	61.7	4%	0.041	35%	0.353	C	S	.	.	H	α-helix	trans	-57.2	-49.6	172.5	-83.5	174.9	0	0	0	110.7	F719 F720 A721 L725 H726 N727 V733 V736 L742 M748	F719-I723 HydrophobicContact CD1-CD1 3.82Å; F719-I723 HydrophobicContact CE1-CD1 3.37Å; F719-I723 HydrophobicContact CE1-CG1 4.49Å; F719-I723 HydrophobicContact CZ-CD1 3.8Å; F719-I723 WeakPolarHBondContact O-CB 3.49Å; F719-I723 WeakPolarHBondContact O-CG1 3.33Å; F719-I723 PolarHBondContact O-N 3.27Å; F720-I723 PolarHBondContact O-N 3.38Å; A721-I723 VanDerWaalsContact C-N 3.31Å; A721-I723 PolarHBondContact O-N 3.19Å; I723-L725 VanDerWaalsContact C-N 3.32Å; I723-L725 PolarHBondContact O-N 3.19Å; I723-H726 PolarHBondContact O-N 3.27Å; I723-N727 VanDerWaalsContact O-CB 3.3Å; I723-N727 WeakPolarHBondContact O-CB 3.44Å; I723-N727 PolarHBondContact O-N 3Å; I723-N727 PolarHBondContact O-ND2 3.39Å; I723-V733 HydrophobicContact CG1-CG1 4.47Å; I723-V733 HydrophobicContact CG2-CG1 3.53Å; I723-V736 HydrophobicContact CB-CG1 4.46Å; I723-V736 HydrophobicContact CG1-CG1 3.83Å; I723-V736 HydrophobicContact CG1-CG2 4.04Å; I723-L742 HydrophobicContact CD1-CD1 4.08Å; I723-M748 HydrophobicContact CD1-CE 3.99Å; I723-M748 HydrophobicContact CG2-CE 3.8Å
724	R	84.5	Confident	77.7	Confident	175 Å²	175	63.3 Å²	63.3	66%	0.66	37%	0.366	S	S	*	.	H	α-helix	trans	-65.6	-32.6	177.9	-71.6	-178.6	-69.5	-110.2	1.6	112.9	F720 A721	F720-R724 WeakPolarHBondContact O-CG 3.36Å; F720-R724 PolarHBondContact O-N 2.99Å; A721-R724 PolarHBondContact O-N 3.23Å
725	L	84.1	Confident	78	Confident	119 Å²	119	58.7 Å²	58.7	62%	0.623	34%	0.338	S	S	*	.	H	α-helix	trans	-74	-32.2	179.5	-168.5	70.5	0	0	0	113.2	A721 H722 I723	A721-L725 WeakPolarHBondContact O-CB 3.32Å; A721-L725 PolarHBondContact O-N 2.88Å; H722-L725 PolarHBondContact O-N 2.9Å; I723-L725 VanDerWaalsContact C-N 3.32Å; I723-L725 PolarHBondContact O-N 3.19Å
726	H	83.1	Confident	78	Confident	50 Å²	50	57.3 Å²	57.3	23%	0.231	33%	0.328	C	S	.	.	H	α-helix	trans	-110.6	-17.9	-172.3	-63.3	-41.3	0	0	0	115.1	C706 V708 C709 H722 I723 V736	C706-H726 PolarHBondContact SG-CD2 2.93Å; V708-H726 HydrophobicContact CB-CB 4.41Å; V708-H726 HydrophobicContact CG1-CB 4.39Å; V708-H726 HydrophobicContact CG2-CB 4.2Å; C709-H726 PolarHBondContact SG-NE2 2.93Å; C709-H726 VanDerWaalsContact SG-NE2 3.36Å; H722-H726 AromaticContact CD2-NE2 3.66Å; H722-H726 WeakPolarHBondContact O-CB 3.44Å; H722-H726 PolarHBondContact O-CD2 3.08Å; H722-H726 PolarHBondContact O-N 2.9Å; I723-H726 PolarHBondContact O-N 3.27Å; H726-V736 HydrophobicContact CB-CG1 4.28Å
727	N	78.4	Confident	77.9	Confident	38 Å²	38	55.6 Å²	55.6	20%	0.203	32%	0.318	C	S	.	.			trans	-102.4	65.2	170.8	-59.5	-88	0	0	0	109.2	I723 S729 V733 A734	I723-N727 VanDerWaalsContact O-CB 3.3Å; I723-N727 WeakPolarHBondContact O-CB 3.44Å; I723-N727 PolarHBondContact O-N 3Å; I723-N727 PolarHBondContact O-ND2 3.39Å; N727-S729 PolarHBondContact O-N 3.23Å; N727-V733 HydrophobicContact CB-CG1 4.26Å; N727-A734 PolarHBondContact ND2-O 3.41Å; N727-A734 VanDerWaalsContact ND2-O 3.12Å; N727-A734 WeakPolarHBondContact OD1-CB 3.46Å; N727-A734 PolarHBondContact OD1-N 3.01Å
728	S	61.7	Low	77.9	Confident	111 Å²	111	49.1 Å²	49.1	78%	0.776	29%	0.289	S	S	*	.			trans	-74.2	-0.1	-179	50.1	0	0	0	0	114.3
729	S	54.7	Low	77.7	Confident	107 Å²	107	51.7 Å²	51.7	75%	0.748	30%	0.299	S	S	*	.	S	Bend	trans	-143.3	77.4	-172.3	62.6	0	0	0	0	113.4	N727	N727-S729 PolarHBondContact O-N 3.23Å
730	G	56.6	Low	77.3	Confident	49 Å²	49	54.1 Å²	54.1	51%	0.505	31%	0.31	S	S	.	.			trans	78.9	-167.1	159.6	0	0	0	0	0	117.8
731	V	54.2	Low	77	Confident	52 Å²	52	55.1 Å²	55.1	32%	0.315	32%	0.322	S	S	.	.	S	Bend	trans	-103.4	142	179.3	176	0	0	0	0	107.8	S936 I939	V731-S936 PolarHBondContact O-OG 3Å; V731-S936 VanDerWaalsContact O-OG 3.12Å; V731-I939 HydrophobicContact CG1-CD1 4.39Å
732	P	56	Low	76.7	Confident	61 Å²	61	53.2 Å²	53.2	40%	0.396	31%	0.306	S	S	.	.	S	Bend	cis	-79.1	139.1	4.8	32.2	-35.5	0	0	0	114.2	A734 L743	P732-A734 PolarHBondContact O-N 2.91Å; P732-L743 HydrophobicContact CB-CD2 3.97Å
733	V	77.7	Confident	76	Confident	28 Å²	28	57.2 Å²	57.2	17%	0.17	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.9	176	175.7	0	0	0	0	109.3	I723 N727 L742 M748	I723-V733 HydrophobicContact CG1-CG1 4.47Å; I723-V733 HydrophobicContact CG2-CG1 3.53Å; N727-V733 HydrophobicContact CB-CG1 4.26Å; V733-L742 PolarHBondContact N-O 3.14Å; V733-L742 WeakPolarHBondContact O-CB 3.28Å; V733-L742 PolarHBondContact O-N 3.01Å; V733-M748 HydrophobicContact CG1-CE 4.36Å
734	A	82.9	Confident	75.5	Confident	34 Å²	34	58.3 Å²	58.3	28%	0.281	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.9	175	0	0	0	0	0	111.4	N727 P732 V736	N727-A734 PolarHBondContact ND2-O 3.41Å; N727-A734 VanDerWaalsContact ND2-O 3.12Å; N727-A734 WeakPolarHBondContact OD1-CB 3.46Å; N727-A734 PolarHBondContact OD1-N 3.01Å; P732-A734 PolarHBondContact O-N 2.91Å; A734-V736 PolarHBondContact O-N 3.15Å
735	C	86.1	Confident	75.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.007	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-60.8	118.1	168.8	-177.4	0	0	0	0	109.9	I737 C738 K739 Q740 L742	C735-I737 PolarHBondContact O-N 3.42Å; C735-C738 VanDerWaalsContact CB-SG 3.56Å; C735-C738 PolarHBondContact SG-SG 3.24Å; C735-K739 VanDerWaalsContact O-CA 3.27Å; C735-K739 WeakPolarHBondContact O-CA 3.48Å; C735-K739 PolarHBondContact O-N 3.02Å; C735-Q740 WeakPolarHBondContact CB-O 3.35Å; C735-Q740 PolarHBondContact N-O 3.4Å; C735-L742 HydrophobicContact CB-CD1 3.88Å; C735-L742 HydrophobicContact CB-CD2 4.21Å; C735-L742 HydrophobicContact CB-CG 4.09Å
736	V	85.8	Confident	75.1	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.024	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-5	-176.8	-68.7	0	0	0	0	115	C706 N707 I713 F719 H722 I723 H726 A734	C706-V736 CarbonylContact C-O 3.47Å; C706-V736 WeakPolarHBondContact CA-O 3.44Å; N707-V736 WeakPolarHBondContact CB-O 3.38Å; N707-V736 PolarHBondContact N-O 3.29Å; I713-V736 HydrophobicContact CD1-CG2 3.71Å; F719-V736 HydrophobicContact CD2-CG2 3.88Å; F719-V736 HydrophobicContact CE2-CG2 3.92Å; H722-V736 HydrophobicContact CB-CB 4.36Å; H722-V736 HydrophobicContact CB-CG1 4.27Å; H722-V736 HydrophobicContact CB-CG2 3.97Å; I723-V736 HydrophobicContact CB-CG1 4.46Å; I723-V736 HydrophobicContact CG1-CG1 3.83Å; I723-V736 HydrophobicContact CG1-CG2 4.04Å; H726-V736 HydrophobicContact CB-CG1 4.28Å; A734-V736 PolarHBondContact O-N 3.15Å
737	I	84.7	Confident	75.1	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-60.4	178.7	-63.1	174.4	0	0	0	110.4	S703 N707 I713 F719 C735 H755	S703-I737 WeakPolarHBondContact O-CG2 3.27Å; N707-I737 PolarHBondContact ND2-O 3.16Å; I713-I737 HydrophobicContact CD1-CD1 4.26Å; I713-I737 HydrophobicContact CD1-CG1 4.09Å; F719-I737 HydrophobicContact CD2-CD1 3.79Å; F719-I737 HydrophobicContact CD2-CG1 4.35Å; F719-I737 HydrophobicContact CE2-CD1 3.83Å; F719-I737 HydrophobicContact CE2-CG1 4.17Å; C735-I737 PolarHBondContact O-N 3.42Å; I737-H755 HydrophobicContact CD1-CB 3.52Å; I737-H755 HydrophobicContact CG2-CB 4.19Å
738	C	84.1	Confident	75.4	Confident	13 Å²	13	49.8 Å²	49.8	9%	0.088	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-1.7	-174.7	66	0	0	0	0	115.9	C698 V700 C735 Q740 H751 H755	C698-C738 VanDerWaalsContact SG-CB 3.5Å; V700-C738 HydrophobicContact CB-CB 3.71Å; V700-C738 HydrophobicContact CG1-CB 4.24Å; V700-C738 HydrophobicContact CG2-CB 4.25Å; C735-C738 VanDerWaalsContact CB-SG 3.56Å; C735-C738 PolarHBondContact SG-SG 3.24Å; C738-Q740 PolarHBondContact O-N 3.06Å; C738-Q740 VanDerWaalsContact O-N 3.08Å; C738-H751 PolarHBondContact SG-CE1 2.96Å; C738-H751 PolarHBondContact SG-ND1 3.41Å; C738-H755 PolarHBondContact SG-NE2 3.24Å
739	K	81.9	Confident	76.5	Confident	127 Å²	127	48.8 Å²	48.8	55%	0.552	29%	0.291	S	S	*	.			trans	59.8	7.9	-176.9	-72.7	172.4	163.5	159.8	0	116.3	N707 C735	N707-K739 HydrophobicContact CB-CG 4.43Å; N707-K739 WeakPolarHBondContact OD1-CE 3.43Å; N707-K739 PolarHBondContact OD1-NZ 3.15Å; C735-K739 VanDerWaalsContact O-CA 3.27Å; C735-K739 WeakPolarHBondContact O-CA 3.48Å; C735-K739 PolarHBondContact O-N 3.02Å
740	Q	81	Confident	78	Confident	51 Å²	51	44.1 Å²	44.1	24%	0.238	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-67.5	142.4	170	-69.2	-174.7	-54.2	0	0	111.3	C698 C735 C738 H751	C698-Q740 PolarHBondContact SG-OE1 3.27Å; C735-Q740 WeakPolarHBondContact CB-O 3.35Å; C735-Q740 PolarHBondContact N-O 3.4Å; C738-Q740 PolarHBondContact O-N 3.06Å; C738-Q740 VanDerWaalsContact O-N 3.08Å; Q740-H751 PolarHBondContact OE1-CE1 3.25Å; Q740-H751 VanDerWaalsContact OE1-CE1 3.29Å
741	S	80.5	Confident	79.3	Confident	58 Å²	58	42.1 Å²	42.1	41%	0.406	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.9	175.6	-55.8	0	0	0	0	111.4
742	L	80.4	Confident	80.9	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.1	177.3	-52.4	173.7	0	0	0	108.2	I723 V733 C735 E747 M748 H751	I723-L742 HydrophobicContact CD1-CD1 4.08Å; V733-L742 PolarHBondContact N-O 3.14Å; V733-L742 WeakPolarHBondContact O-CB 3.28Å; V733-L742 PolarHBondContact O-N 3.01Å; C735-L742 HydrophobicContact CB-CD1 3.88Å; C735-L742 HydrophobicContact CB-CD2 4.21Å; C735-L742 HydrophobicContact CB-CG 4.09Å; L742-E747 HydrophobicContact CD2-CB 4.17Å; L742-M748 HydrophobicContact CB-CG 4.09Å; L742-M748 HydrophobicContact CD1-CB 4.43Å; L742-M748 HydrophobicContact CD1-CG 3.92Å; L742-H751 HydrophobicContact CD2-CB 4.26Å; L742-H751 WeakPolarHBondContact CD2-CD2 3.31Å
743	L	71.5	Confident	82.2	Confident	110 Å²	110	39.9 Å²	39.9	58%	0.576	22%	0.215	S	C	*	.			trans	-107.3	-5.8	-174.9	-58.1	174.6	0	0	0	112.5	P732 E747	P732-L743 HydrophobicContact CB-CD2 3.97Å; L743-E747 WeakPolarHBondContact CA-OE2 3.42Å; L743-E747 WeakPolarHBondContact CB-OE2 3.38Å; L743-E747 PolarHBondContact N-OE2 3.41Å
744	S	75.2	Confident	82.5	Confident	32 Å²	32	41.4 Å²	41.4	22%	0.224	22%	0.219	C	C	.	.	S	Bend	trans	-150.6	157.3	178.5	63.8	0	0	0	0	112.8	I746 E747 M748	S744-I746 PolarHBondContact O-N 2.78Å; S744-E747 PolarHBondContact N-OE2 3.18Å; S744-E747 PolarHBondContact O-N 2.79Å; S744-E747 VanDerWaalsContact O-N 3.13Å; S744-E747 WeakPolarHBondContact OG-CG 3.46Å; S744-E747 PolarHBondContact OG-N 3.49Å; S744-M748 WeakPolarHBondContact O-CG 3.33Å; S744-M748 PolarHBondContact O-N 2.85Å
745	T	80.2	Confident	82.5	Confident	102 Å²	102	39.8 Å²	39.8	63%	0.626	21%	0.206	S	C	*	.	H	α-helix	trans	-59.7	-30.1	172.1	49.9	0	0	0	0	112.8	M748 H749	T745-M748 HydrophobicContact CG2-SD 4.46Å; T745-M748 PolarHBondContact O-N 3.49Å; T745-H749 PolarHBondContact O-N 2.87Å
746	I	81.5	Confident	82.3	Confident	67 Å²	67	40.7 Å²	40.7	34%	0.344	21%	0.211	S	C	.	.	H	α-helix	trans	-62.4	-49.8	173.1	-60.2	174.8	0	0	0	109.9	M687 A691 S744 M748 H749 T750	M687-I746 HydrophobicContact CB-CD1 3.88Å; A691-I746 HydrophobicContact CB-CG2 4.1Å; S744-I746 PolarHBondContact O-N 2.78Å; I746-M748 VanDerWaalsContact C-N 3.33Å; I746-M748 PolarHBondContact O-N 2.91Å; I746-H749 PolarHBondContact O-N 2.97Å; I746-T750 PolarHBondContact O-N 2.63Å; I746-T750 PolarHBondContact O-OG1 3.49Å
747	E	83	Confident	81.7	Confident	4 Å²	4	44.7 Å²	44.7	2%	0.019	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-39.6	176.8	-73	171.8	163.2	0	0	111.9	A691 K694 L742 L743 S744 H749 T750 H751	A691-E747 HydrophobicContact CB-CG 3.8Å; K694-E747 WeakPolarHBondContact CD-OE1 3.35Å; K694-E747 VanDerWaalsContact CE-OE1 3.31Å; K694-E747 WeakPolarHBondContact CE-OE1 3.39Å; K694-E747 IonicContact NZ-OE1 3.09Å; K694-E747 PolarHBondContact NZ-OE1 3.3Å; L742-E747 HydrophobicContact CD2-CB 4.17Å; L743-E747 WeakPolarHBondContact CA-OE2 3.42Å; L743-E747 WeakPolarHBondContact CB-OE2 3.38Å; L743-E747 PolarHBondContact N-OE2 3.41Å; S744-E747 PolarHBondContact N-OE2 3.18Å; S744-E747 PolarHBondContact O-N 2.79Å; S744-E747 VanDerWaalsContact O-N 3.13Å; S744-E747 WeakPolarHBondContact OG-CG 3.46Å; S744-E747 PolarHBondContact OG-N 3.49Å; E747-H749 PolarHBondContact O-N 3.18Å; E747-T750 WeakPolarHBondContact CA-OG1 3.26Å; E747-T750 PolarHBondContact O-N 2.9Å; E747-T750 PolarHBondContact O-OG1 3.47Å; E747-T750 VanDerWaalsContact O-OG1 3.09Å; E747-H751 WeakPolarHBondContact O-CB 3.11Å; E747-H751 PolarHBondContact O-CD2 3.05Å; E747-H751 PolarHBondContact O-N 3.44Å
748	M	84.4	Confident	80.9	Confident	30 Å²	30	48.7 Å²	48.7	15%	0.148	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-45.8	173.9	-59.1	169.1	88.2	0	0	111.9	F719 F720 I723 V733 L742 S744 T745 I746 H751 S752	F719-M748 WeakPolarHBondContact CE1-O 3.25Å; F720-M748 HydrophobicContact CD1-CE 3.89Å; F720-M748 HydrophobicContact CE1-CB 3.76Å; F720-M748 HydrophobicContact CE1-CE 3.78Å; F720-M748 HydrophobicContact CE1-SD 4.2Å; F720-M748 HydrophobicContact CZ-CB 4.29Å; I723-M748 HydrophobicContact CD1-CE 3.99Å; I723-M748 HydrophobicContact CG2-CE 3.8Å; V733-M748 HydrophobicContact CG1-CE 4.36Å; L742-M748 HydrophobicContact CB-CG 4.09Å; L742-M748 HydrophobicContact CD1-CB 4.43Å; L742-M748 HydrophobicContact CD1-CG 3.92Å; S744-M748 WeakPolarHBondContact O-CG 3.33Å; S744-M748 PolarHBondContact O-N 2.85Å; T745-M748 HydrophobicContact CG2-SD 4.46Å; T745-M748 PolarHBondContact O-N 3.49Å; I746-M748 VanDerWaalsContact C-N 3.33Å; I746-M748 PolarHBondContact O-N 2.91Å; M748-H751 PolarHBondContact O-N 2.95Å; M748-S752 PolarHBondContact O-N 3.1Å
749	H	84.4	Confident	79.4	Confident	90 Å²	90	51.6 Å²	51.6	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-68.6	-39.2	178.2	-96.9	-67.4	0	0	0	113.3	F720 T745 I746 E747 S752 K753	F720-H749 AromaticContact CE2-CE1 3.73Å; F720-H749 AromaticContact CE2-NE2 3.85Å; F720-H749 AromaticContact CZ-CD2 3.87Å; F720-H749 AromaticContact CZ-CE1 3.94Å; F720-H749 AromaticContact CZ-NE2 3.71Å; T745-H749 PolarHBondContact O-N 2.87Å; I746-H749 PolarHBondContact O-N 2.97Å; E747-H749 PolarHBondContact O-N 3.18Å; H749-S752 PolarHBondContact O-N 2.66Å; H749-S752 PolarHBondContact O-OG 2.75Å; H749-K753 WeakPolarHBondContact O-CB 3.38Å; H749-K753 WeakPolarHBondContact O-CD 3.41Å; H749-K753 WeakPolarHBondContact O-CG 3.22Å; H749-K753 PolarHBondContact O-N 3.18Å
750	T	84.9	Confident	77.4	Confident	8 Å²	8	49.3 Å²	49.3	5%	0.049	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-39.3	175.9	55.5	0	0	0	0	111.1	A691 Q692 I746 E747 K753 F754	A691-T750 HydrophobicContact CB-CG2 3.92Å; Q692-T750 HydrophobicContact CG-CG2 4.44Å; I746-T750 PolarHBondContact O-N 2.63Å; I746-T750 PolarHBondContact O-OG1 3.49Å; E747-T750 WeakPolarHBondContact CA-OG1 3.26Å; E747-T750 PolarHBondContact O-N 2.9Å; E747-T750 PolarHBondContact O-OG1 3.47Å; E747-T750 VanDerWaalsContact O-OG1 3.09Å; T750-K753 PolarHBondContact O-N 2.8Å; T750-F754 WeakPolarHBondContact O-CB 3.41Å; T750-F754 PolarHBondContact O-N 3.38Å
751	H	85.5	Confident	75.3	Confident	7 Å²	7	50.7 Å²	50.7	3%	0.032	28%	0.275	C	S	.	.	H	α-helix	trans	-64.5	-40.6	173.6	-86.6	-101.7	0	0	0	112.6	L695 F719 C738 Q740 L742 E747 M748 F754 H755	L695-H751 VanDerWaalsContact CD2-CE1 3.48Å; L695-H751 WeakPolarHBondContact CD2-CE1 3.47Å; L695-H751 WeakPolarHBondContact CD2-NE2 3.32Å; F719-H751 HydrophobicContact CZ-CB 3.98Å; C738-H751 PolarHBondContact SG-CE1 2.96Å; C738-H751 PolarHBondContact SG-ND1 3.41Å; Q740-H751 PolarHBondContact OE1-CE1 3.25Å; Q740-H751 VanDerWaalsContact OE1-CE1 3.29Å; L742-H751 HydrophobicContact CD2-CB 4.26Å; L742-H751 WeakPolarHBondContact CD2-CD2 3.31Å; E747-H751 WeakPolarHBondContact O-CB 3.11Å; E747-H751 PolarHBondContact O-CD2 3.05Å; E747-H751 PolarHBondContact O-N 3.44Å; M748-H751 PolarHBondContact O-N 2.95Å; H751-F754 PolarHBondContact O-N 3.47Å; H751-H755 AromaticContact ND1-NE2 3.44Å; H751-H755 PolarHBondContact ND1-NE2 3.35Å; H751-H755 PolarHBondContact O-CD2 2.95Å; H751-H755 VanDerWaalsContact O-CD2 3.24Å; H751-H755 PolarHBondContact O-N 3.41Å
752	S	86.9	Confident	73.3	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.8	-46.3	175.6	75	0	0	0	0	111.1	F719 M748 H749 F754 L756	F719-S752 VanDerWaalsContact CD1-CB 3.43Å; M748-S752 PolarHBondContact O-N 3.1Å; H749-S752 PolarHBondContact O-N 2.66Å; H749-S752 PolarHBondContact O-OG 2.75Å; S752-F754 PolarHBondContact O-N 3.09Å; S752-L756 WeakPolarHBondContact O-CB 3.43Å; S752-L756 WeakPolarHBondContact O-CD1 3.35Å; S752-L756 WeakPolarHBondContact O-CG 3.17Å; S752-L756 PolarHBondContact O-N 3.12Å
753	K	83.7	Confident	71.5	Confident	67 Å²	67	59.8 Å²	59.8	29%	0.291	33%	0.333	S	S	.	.	H	α-helix	trans	-60.6	-42.7	177.4	-79.6	159.1	147.1	-79.1	0	112.6	H749 T750 R757 L758 D759	H749-K753 WeakPolarHBondContact O-CB 3.38Å; H749-K753 WeakPolarHBondContact O-CD 3.41Å; H749-K753 WeakPolarHBondContact O-CG 3.22Å; H749-K753 PolarHBondContact O-N 3.18Å; T750-K753 PolarHBondContact O-N 2.8Å; K753-R757 WeakPolarHBondContact O-CA 3.47Å; K753-R757 PolarHBondContact O-N 2.93Å; K753-R757 VanDerWaalsContact O-N 3.08Å; K753-L758 PolarHBondContact O-N 2.92Å; K753-D759 WeakPolarHBondContact CD-OD2 3.14Å; K753-D759 IonicContact NZ-OD1 2.64Å; K753-D759 PolarHBondContact NZ-OD1 3.48Å; K753-D759 IonicContact NZ-OD2 2.86Å; K753-D759 PolarHBondContact NZ-OD2 2.9Å
754	F	84.3	Confident	69.8	Low	59 Å²	59	57.2 Å²	57.2	26%	0.259	32%	0.324	S	S	.	.	H	α-helix	trans	-68	-56	-178.9	-179.9	-103.8	0	0	0	112.1	L695 I701 T750 H751 S752 L756 R757	L695-F754 HydrophobicContact CD1-CB 3.83Å; L695-F754 HydrophobicContact CD1-CD2 4.36Å; L695-F754 HydrophobicContact CD1-CG 4.05Å; L695-F754 HydrophobicContact CD2-CB 4.25Å; L695-F754 HydrophobicContact CD2-CD1 3.7Å; L695-F754 HydrophobicContact CD2-CE1 4.15Å; L695-F754 HydrophobicContact CD2-CG 3.98Å; L695-F754 HydrophobicContact CG-CG 4.49Å; I701-F754 HydrophobicContact CG2-CZ 4.03Å; I701-F754 WeakPolarHBondContact O-CE1 3.38Å; I701-F754 WeakPolarHBondContact O-CZ 3.35Å; T750-F754 WeakPolarHBondContact O-CB 3.41Å; T750-F754 PolarHBondContact O-N 3.38Å; H751-F754 PolarHBondContact O-N 3.47Å; S752-F754 PolarHBondContact O-N 3.09Å; F754-L756 PolarHBondContact O-N 3.25Å; F754-R757 PolarHBondContact O-N 3.46Å
755	H	82.6	Confident	68.2	Low	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-69.8	-31.4	-177	-62.9	-49.1	0	0	0	113.2	V700 I737 C738 H751 R757	V700-H755 PolarHBondContact O-CE1 3Å; I737-H755 HydrophobicContact CD1-CB 3.52Å; I737-H755 HydrophobicContact CG2-CB 4.19Å; C738-H755 PolarHBondContact SG-NE2 3.24Å; H751-H755 AromaticContact ND1-NE2 3.44Å; H751-H755 PolarHBondContact ND1-NE2 3.35Å; H751-H755 PolarHBondContact O-CD2 2.95Å; H751-H755 VanDerWaalsContact O-CD2 3.24Å; H751-H755 PolarHBondContact O-N 3.41Å; H755-R757 VanDerWaalsContact C-N 3.32Å
756	L	81.6	Confident	66.3	Low	20 Å²	20	64.6 Å²	64.6	11%	0.105	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	4.1	175.3	-55	172.3	0	0	0	113.5	I713 S715 V716 F719 S752 F754 L758	I713-L756 HydrophobicContact CB-CD2 4.46Å; I713-L756 HydrophobicContact CG2-CD2 4.1Å; I713-L756 WeakPolarHBondContact O-CD2 3.19Å; S715-L756 WeakPolarHBondContact O-CD1 3.37Å; V716-L756 HydrophobicContact CG2-CD1 4.08Å; F719-L756 HydrophobicContact CB-CD1 4.39Å; S752-L756 WeakPolarHBondContact O-CB 3.43Å; S752-L756 WeakPolarHBondContact O-CD1 3.35Å; S752-L756 WeakPolarHBondContact O-CG 3.17Å; S752-L756 PolarHBondContact O-N 3.12Å; F754-L756 PolarHBondContact O-N 3.25Å; L756-L758 HydrophobicContact CB-CD1 3.93Å; L756-L758 HydrophobicContact CB-CG 3.87Å; L756-L758 HydrophobicContact CD1-CD1 4.13Å; L756-L758 PolarHBondContact O-N 2.89Å
757	R	72.5	Confident	64.8	Low	89 Å²	89	69.7 Å²	69.7	34%	0.336	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	33.4	176.8	-58.9	171.1	165.8	144.2	-16.3	115	H702 E704 K753 F754 H755 D759 S787	H702-R757 PolarHBondContact CD2-NE 3.47Å; H702-R757 VanDerWaalsContact CD2-NE 3.31Å; E704-R757 IonicContact OE1-CZ 3.62Å; E704-R757 IonicContact OE1-NH1 3.68Å; E704-R757 PolarHBondContact OE1-NH1 3.48Å; K753-R757 WeakPolarHBondContact O-CA 3.47Å; K753-R757 PolarHBondContact O-N 2.93Å; K753-R757 VanDerWaalsContact O-N 3.08Å; F754-R757 PolarHBondContact O-N 3.46Å; H755-R757 VanDerWaalsContact C-N 3.32Å; R757-D759 VanDerWaalsContact C-N 3.34Å; R757-D759 PolarHBondContact O-N 3.43Å; R757-S787 WeakPolarHBondContact CD-OG 3.27Å; R757-S787 PolarHBondContact NE-OG 3.25Å
758	L	67.9	Low	62.8	Low	84 Å²	84	75.5 Å²	75.5	44%	0.44	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-24.4	-173.2	-64.8	168.8	0	0	0	113.2	V716 K753 L756 C760	V716-L758 HydrophobicContact CG2-CD1 3.29Å; K753-L758 PolarHBondContact O-N 2.92Å; L756-L758 HydrophobicContact CB-CD1 3.93Å; L756-L758 HydrophobicContact CB-CG 3.87Å; L756-L758 HydrophobicContact CD1-CD1 4.13Å; L756-L758 PolarHBondContact O-N 2.89Å; L758-C760 VanDerWaalsContact C-N 3.28Å; L758-C760 PolarHBondContact O-N 2.97Å
759	D	52.5	Low	60.8	Low	73 Å²	73	76 Å²	76	39%	0.39	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	33	-175.8	-67.3	1.9	0	0	0	112.4	K753 R757 S761	K753-D759 WeakPolarHBondContact CD-OD2 3.14Å; K753-D759 IonicContact NZ-OD1 2.64Å; K753-D759 PolarHBondContact NZ-OD1 3.48Å; K753-D759 IonicContact NZ-OD2 2.86Å; K753-D759 PolarHBondContact NZ-OD2 2.9Å; R757-D759 VanDerWaalsContact C-N 3.34Å; R757-D759 PolarHBondContact O-N 3.43Å; D759-S761 PolarHBondContact O-N 3.3Å; D759-S761 VanDerWaalsContact O-N 3.12Å
760	C	40.7	Very low	58.8	Low	80 Å²	80	75.2 Å²	75.2	54%	0.541	41%	0.409	S	S	.	.			trans	-78.4	18.8	179.4	-162.6	0	0	0	0	113.6	L758	L758-C760 VanDerWaalsContact C-N 3.28Å; L758-C760 PolarHBondContact O-N 2.97Å
761	S	37.6	Very low	57	Low	79 Å²	79	78.9 Å²	78.9	55%	0.552	44%	0.435	S	S	*	.	S	Bend	trans	-125.2	162.2	179.9	58	0	0	0	0	111.5	D759 S763	D759-S761 PolarHBondContact O-N 3.3Å; D759-S761 VanDerWaalsContact O-N 3.12Å; S761-S763 VanDerWaalsContact C-N 3.28Å; S761-S763 PolarHBondContact O-N 3Å
762	T	38.2	Very low	55.2	Low	154 Å²	154	86.2 Å²	86.2	95%	0.945	47%	0.469	S	S	*	.	S	Bend	trans	62.6	-11.7	176.5	74.7	0	0	0	0	120
763	S	41.6	Very low	52.5	Low	100 Å²	100	90.7 Å²	90.7	70%	0.699	50%	0.501	S	S	*	.			trans	-124.2	-15.5	-175.4	65.8	0	0	0	0	118.7	S761 R765	S761-S763 VanDerWaalsContact C-N 3.28Å; S761-S763 PolarHBondContact O-N 3Å; S763-R765 PolarHBondContact O-N 3.3Å
764	C	37	Very low	50.2	Low	56 Å²	56	93.7 Å²	93.7	38%	0.378	52%	0.524	S	S	.	.			trans	-77.1	115.8	179.9	-158.4	0	0	0	0	113	C766 C769 C790	C764-C766 WeakPolarHBondContact CB-SG 3.17Å; C764-C766 PolarHBondContact O-N 3.39Å; C764-C766 WeakPolarHBondContact SG-CB 3.43Å; C764-C766 PolarHBondContact SG-N 3.46Å; C764-C766 CovalentContact SG-SG 2.05Å; C764-C766 PolarHBondContact SG-SG 3.47Å; C764-C769 HydrophobicContact CB-CB 4.21Å; C764-C790 PolarHBondContact SG-SG 3.49Å
765	R	41.7	Very low	47.9	Very low	253 Å²	253	95.4 Å²	95.4	96%	0.955	54%	0.544	S	S	*	.			trans	-87.3	19.2	172.1	-145.2	174.6	-169.6	172.9	2.7	113.4	S763	S763-R765 PolarHBondContact O-N 3.3Å
766	C	40.7	Very low	45.5	Very low	37 Å²	37	103.5 Å²	103.5	25%	0.25	59%	0.587	C	S	.	*			trans	-81.2	141.7	-177.4	48.5	0	0	0	0	112.2	C764 N768 C769 A770	C764-C766 WeakPolarHBondContact CB-SG 3.17Å; C764-C766 PolarHBondContact O-N 3.39Å; C764-C766 WeakPolarHBondContact SG-CB 3.43Å; C764-C766 PolarHBondContact SG-N 3.46Å; C764-C766 CovalentContact SG-SG 2.05Å; C764-C766 PolarHBondContact SG-SG 3.47Å; C766-N768 PolarHBondContact O-N 3.18Å; C766-N768 VanDerWaalsContact O-N 3.14Å; C766-C769 PolarHBondContact O-N 2.78Å; C766-C769 PolarHBondContact SG-SG 3.48Å; C766-A770 PolarHBondContact O-N 3.19Å
767	Q	49.1	Very low	43.2	Very low	174 Å²	174	106.3 Å²	106.3	81%	0.813	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-31.8	-176.9	-75.8	175.5	-39.3	0	0	113.8	C769 S771	Q767-C769 PolarHBondContact O-N 3.43Å; Q767-S771 PolarHBondContact O-OG 2.89Å
768	N	41.5	Very low	41.3	Very low	125 Å²	125	108.4 Å²	108.4	67%	0.668	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-15.9	177.6	-72.9	15.4	0	0	0	114.8	C766 S771 Q772	C766-N768 PolarHBondContact O-N 3.18Å; C766-N768 VanDerWaalsContact O-N 3.14Å; N768-S771 PolarHBondContact O-OG 3.36Å; N768-Q772 PolarHBondContact O-NE2 2.73Å; N768-Q772 VanDerWaalsContact O-NE2 3.13Å
769	C	42.9	Very low	39.7	Very low	41 Å²	41	111.2 Å²	111.2	28%	0.277	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101	-31.2	171.4	-67.6	0	0	0	0	111.9	C764 C766 Q767 S771 Q772	C764-C769 HydrophobicContact CB-CB 4.21Å; C766-C769 PolarHBondContact O-N 2.78Å; C766-C769 PolarHBondContact SG-SG 3.48Å; Q767-C769 PolarHBondContact O-N 3.43Å; C769-S771 PolarHBondContact O-N 3.01Å; C769-S771 VanDerWaalsContact O-N 3.08Å; C769-Q772 PolarHBondContact O-N 3.5Å
770	A	41.7	Very low	38.5	Very low	74 Å²	74	115 Å²	115	61%	0.612	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-11.7	174.1	0	0	0	0	0	114	C766	C766-A770 PolarHBondContact O-N 3.19Å
771	S	46.4	Very low	38.1	Very low	84 Å²	84	116.5 Å²	116.5	59%	0.587	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	3.9	-178.9	39.7	0	0	0	0	114.4	Q767 N768 C769	Q767-S771 PolarHBondContact O-OG 2.89Å; N768-S771 PolarHBondContact O-OG 3.36Å; C769-S771 PolarHBondContact O-N 3.01Å; C769-S771 VanDerWaalsContact O-N 3.08Å
772	Q	48	Very low	37.6	Very low	162 Å²	162	119.4 Å²	119.4	76%	0.757	70%	0.7	S	S	*	*	S	Bend	trans	-120.4	27.8	-172.4	-58.6	-172.3	15.2	0	0	114.2	N768 C769	N768-Q772 PolarHBondContact O-NE2 2.73Å; N768-Q772 VanDerWaalsContact O-NE2 3.13Å; C769-Q772 PolarHBondContact O-N 3.5Å
773	S	30.3	Very low	37.2	Very low	94 Å²	94	116.9 Å²	116.9	66%	0.657	70%	0.695	S	S	*	*			trans	-137.7	50.2	-170.3	63.5	0	0	0	0	115.4
774	T	35.8	Very low	36.7	Very low	129 Å²	129	117.9 Å²	117.9	79%	0.791	70%	0.697	S	S	*	*			trans	-145.1	134.3	166.8	49.4	0	0	0	0	112.3
775	S	35.9	Very low	36.5	Very low	96 Å²	96	125.3 Å²	125.3	67%	0.671	72%	0.723	S	S	*	*			trans	52.8	102.6	160.6	61.9	0	0	0	0	120.2
776	D	32.6	Very low	36.1	Very low	170 Å²	170	119.4 Å²	119.4	91%	0.909	72%	0.715	S	S	*	*				49.1	100.4	119.3	-47.5	-46.6	0	0	0	119.5
777	G	32.6	Very low	36	Very low	79 Å²	79	120 Å²	120	81%	0.814	72%	0.72	S	S	*	*			trans	-163.1	102.7	168.8	0	0	0	0	0	112.3
778	V	33.2	Very low	35.5	Very low	133 Å²	133	113.7 Å²	113.7	81%	0.806	70%	0.695	S	S	*	*			trans	-84.7	115.3	-177	-179.9	0	0	0	0	110.9
779	N	33.5	Very low	35.4	Very low	143 Å²	143	115 Å²	115	77%	0.765	70%	0.701	S	S	*	*				169.4	111.5	127.9	-93	-58.2	0	0	0	113.6
780	N	27.4	Very low	35	Very low	152 Å²	152	115.8 Å²	115.8	81%	0.813	71%	0.707	S	S	*	*			trans	42.5	161.7	130.1	-143.4	-1.9	0	0	0	123.3
781	V	31.5	Very low	34.9	Very low	112 Å²	112	120.3 Å²	120.3	68%	0.679	72%	0.715	S	S	*	*			trans	83.7	90.9	170	-169.3	0	0	0	0	117.2
782	T	28.4	Very low	34.3	Very low	139 Å²	139	121.3 Å²	121.3	85%	0.853	72%	0.718	S	S	*	*			trans	39.5	91.5	147.5	61.4	0	0	0	0	119.1
783	A	30.3	Very low	33.4	Very low	102 Å²	102	119.5 Å²	119.5	84%	0.843	72%	0.717	S	S	*	*			trans	-126.5	152.2	159.1	0	0	0	0	0	110.8
784	T	31	Very low	33.4	Very low	121 Å²	121	120.1 Å²	120.1	74%	0.742	72%	0.717	S	S	*	*			trans	-73.9	143.1	-174.3	41.7	0	0	0	0	112.8	T786	T784-T786 VanDerWaalsContact C-N 3.31Å; T784-T786 PolarHBondContact O-N 2.71Å
785	K	32.6	Very low	33.1	Very low	211 Å²	211	121.8 Å²	121.8	92%	0.917	71%	0.713	S	S	*	*			trans	-73.4	78.4	173.6	-78.7	-172.8	174.8	-178.8	0	111.6	S787	K785-S787 PolarHBondContact O-N 2.9Å
786	T	33.7	Very low	32.6	Very low	129 Å²	129	123.1 Å²	123.1	79%	0.791	72%	0.718	S	S	*	*			trans	-76.4	83.9	168.9	35.2	0	0	0	0	110.9	T784	T784-T786 VanDerWaalsContact C-N 3.31Å; T784-T786 PolarHBondContact O-N 2.71Å
787	S	38.5	Very low	32.4	Very low	50 Å²	50	123 Å²	123	35%	0.35	71%	0.711	S	S	.	*			trans	-60.2	145.9	178.1	61.1	0	0	0	0	113.2	R757 K785 N789	R757-S787 WeakPolarHBondContact CD-OG 3.27Å; R757-S787 PolarHBondContact NE-OG 3.25Å; K785-S787 PolarHBondContact O-N 2.9Å; S787-N789 PolarHBondContact O-N 3.45Å
788	C	37	Very low	32.1	Very low	42 Å²	42	124.9 Å²	124.9	28%	0.284	71%	0.707	S	S	.	*			trans	-49.4	134.5	-179.3	-180	0	0	0	0	114.4	C790	C788-C790 HydrophobicContact CB-CB 4.01Å; C788-C790 WeakPolarHBondContact CB-SG 3.1Å; C788-C790 PolarHBondContact O-N 3Å; C788-C790 VanDerWaalsContact SG-CA 3.51Å; C788-C790 WeakPolarHBondContact SG-CB 3.5Å; C788-C790 PolarHBondContact SG-N 3.16Å; C788-C790 CovalentContact SG-SG 2.04Å; C788-C790 PolarHBondContact SG-SG 2.96Å
789	N	39.5	Very low	32.1	Very low	151 Å²	151	127.6 Å²	127.6	81%	0.807	71%	0.711	S	S	*	*			trans	-78.2	60.6	164.3	-169.8	19.1	0	0	0	111	S787 Q791	S787-N789 PolarHBondContact O-N 3.45Å; N789-Q791 PolarHBondContact O-N 3.43Å
790	C	34.7	Very low	31.9	Very low	59 Å²	59	129.5 Å²	129.5	40%	0.399	72%	0.715	S	S	.	*			trans	-86.2	91.9	-172	-82.4	0	0	0	0	110.7	C764 C788 V792	C764-C790 PolarHBondContact SG-SG 3.49Å; C788-C790 HydrophobicContact CB-CB 4.01Å; C788-C790 WeakPolarHBondContact CB-SG 3.1Å; C788-C790 PolarHBondContact O-N 3Å; C788-C790 VanDerWaalsContact SG-CA 3.51Å; C788-C790 WeakPolarHBondContact SG-CB 3.5Å; C788-C790 PolarHBondContact SG-N 3.16Å; C788-C790 CovalentContact SG-SG 2.04Å; C788-C790 PolarHBondContact SG-SG 2.96Å; C790-V792 PolarHBondContact O-N 3Å
791	Q	40.9	Very low	32.1	Very low	168 Å²	168	130.6 Å²	130.6	79%	0.785	72%	0.72	S	S	*	*			trans	-67.6	122.9	176.1	-73.2	-177.8	-19.6	0	0	111.6	N789 V793	N789-Q791 PolarHBondContact O-N 3.43Å; Q791-V793 PolarHBondContact O-N 3.14Å
792	V	33.1	Very low	32	Very low	106 Å²	106	128.5 Å²	128.5	64%	0.642	72%	0.72	S	S	*	*			trans	-77.8	104.3	173.3	178.5	0	0	0	0	109.1	C790 V794	C790-V792 PolarHBondContact O-N 3Å; V792-V794 PolarHBondContact O-N 3.41Å
793	V	29.3	Very low	32.1	Very low	123 Å²	123	130.9 Å²	130.9	75%	0.745	72%	0.722	S	S	*	*			trans	-75.1	107.2	175.2	-179.6	0	0	0	0	109.6	Q791	Q791-V793 PolarHBondContact O-N 3.14Å
794	V	30.4	Very low	32.2	Very low	107 Å²	107	133.4 Å²	133.4	65%	0.648	72%	0.721	S	S	*	*			trans	-82.2	119.6	163.5	-179.2	0	0	0	0	107.5	V792	V792-V794 PolarHBondContact O-N 3.41Å
795	K	28.5	Very low	32.3	Very low	164 Å²	164	133 Å²	133	71%	0.713	72%	0.718	S	S	*	*			trans	-66.5	136.7	179.7	-68.7	-176	173.7	-170.1	0	111.5
796	T	26.9	Very low	32.3	Very low	125 Å²	125	130.6 Å²	130.6	77%	0.767	72%	0.715	S	S	*	*			trans	-106.1	126.8	152.8	50.7	0	0	0	0	107.8
797	E	28.4	Very low	32.1	Very low	166 Å²	166	127.9 Å²	127.9	78%	0.776	71%	0.713	S	S	*	*			trans	-92.3	143.5	176.5	-70.2	172.1	171.1	0	0	109.6
798	V	26.3	Very low	31.9	Very low	120 Å²	120	130.3 Å²	130.3	73%	0.727	74%	0.736	S	S	*	*			trans	-148.4	116.4	-167.1	176.7	0	0	0	0	109.4
799	E	31.7	Very low	31.8	Very low	190 Å²	190	132.9 Å²	132.9	89%	0.888	76%	0.76	S	S	*	*			trans	-156.9	156	161.3	-67.6	-168.8	170.5	0	0	106.5
800	E	28.9	Very low	31.6	Very low	182 Å²	182	130 Å²	130	85%	0.85	75%	0.752	S	S	*	*			cis	179.5	107.6	-39.4	-118.5	-167	-160.8	0	0	105.3
801	I	32.3	Very low	31.7	Very low	176 Å²	176	133.7 Å²	133.7	90%	0.903	77%	0.768	S	S	*	*			trans	-154.2	135	164.9	-43.8	175.8	0	0	0	107.2
802	G	30	Very low	31.4	Very low	67 Å²	67	133.2 Å²	133.2	69%	0.691	77%	0.771	S	S	*	*			cis	143.8	87	-7.6	0	0	0	0	0	113.1
803	E	29.6	Very low	31.8	Very low	190 Å²	190	133.2 Å²	133.2	89%	0.888	77%	0.773	S	S	*	*			trans	-144.6	121.7	171.3	-69.3	-169.5	133.7	0	0	111
804	D	32.4	Very low	32	Very low	155 Å²	155	136 Å²	136	83%	0.829	78%	0.783	S	S	*	*			trans	-175.1	107.9	131.8	-108.3	-21.9	0	0	0	113.6
805	V	34.1	Very low	32	Very low	111 Å²	111	134.2 Å²	134.2	67%	0.673	79%	0.785	S	S	*	*			trans	39	115.2	149.9	-137.6	0	0	0	0	122
806	N	32.1	Very low	32.3	Very low	161 Å²	161	131.1 Å²	131.1	86%	0.861	79%	0.785	S	S	*	*				153.8	142.8	113.7	-84.1	-67.3	0	0	0	115.1
807	G	30.4	Very low	32.4	Very low	73 Å²	73	133.2 Å²	133.2	75%	0.753	79%	0.791	S	S	*	*			trans	109.5	69.9	133.1	0	0	0	0	0	123
808	A	34	Very low	32.7	Very low	100 Å²	100	128.4 Å²	128.4	83%	0.826	79%	0.786	S	S	*	*			trans	57.5	134	136.5	0	0	0	0	0	124.7
809	A	34.4	Very low	32.9	Very low	96 Å²	96	131.6 Å²	131.6	79%	0.793	79%	0.793	S	S	*	*			trans	68.4	147.7	141.2	0	0	0	0	0	120.6
810	S	34.8	Very low	32.7	Very low	92 Å²	92	128 Å²	128	64%	0.643	78%	0.784	S	S	*	*			cis	-167.5	179.5	-15.8	47.2	0	0	0	0	111.3
811	D	36.9	Very low	32.8	Very low	135 Å²	135	127.5 Å²	127.5	72%	0.722	78%	0.782	S	S	*	*			trans	78.4	78.2	153	-46.3	-41.9	0	0	0	121.6
812	D	34.8	Very low	32.6	Very low	159 Å²	159	124.7 Å²	124.7	85%	0.85	77%	0.769	S	S	*	*				61.3	155.2	122.1	-78.6	-35.5	0	0	0	126
813	P	41.1	Very low	32.6	Very low	105 Å²	105	129.2 Å²	129.2	68%	0.682	78%	0.776	S	S	*	*			trans	-115.1	-174.3	-175.5	44.9	-34.8	0	0	0	114.4
814	L	33.1	Very low	32.3	Very low	183 Å²	183	125 Å²	125	96%	0.958	77%	0.768	S	S	*	*			trans	168.3	157.7	140.9	-93.4	161.1	0	0	0	111.8
815	G	32.2	Very low	32.3	Very low	68 Å²	68	123 Å²	123	70%	0.701	76%	0.764	S	S	*	*			trans	138.4	78.1	157.6	0	0	0	0	0	120.4
816	S	34.2	Very low	32.1	Very low	100 Å²	100	121.4 Å²	121.4	70%	0.699	76%	0.762	S	S	*	*			trans	25.4	121.8	141.7	60.1	0	0	0	0	123.4
817	D	28.9	Very low	31.9	Very low	169 Å²	169	124.7 Å²	124.7	90%	0.904	76%	0.762	S	S	*	*				60.6	135.2	117.4	-46.7	-43.9	0	0	0	123.9
818	G	33.7	Very low	31.9	Very low	65 Å²	65	129.5 Å²	129.5	67%	0.67	76%	0.762	S	S	*	*			trans	167.5	103.3	169.8	0	0	0	0	0	108.5
819	E	32.1	Very low	31.7	Very low	186 Å²	186	131.9 Å²	131.9	87%	0.869	76%	0.761	S	S	*	*				47.6	123.2	89	-61.6	-166.7	141	0	0	112.6
820	T	26.5	Very low	31.6	Very low	115 Å²	115	135.6 Å²	135.6	71%	0.706	76%	0.762	S	S	*	*			cis	-179.4	175.4	2.7	21.8	0	0	0	0	104.4
821	E	31.5	Very low	31.3	Very low	171 Å²	171	137.4 Å²	137.4	80%	0.799	77%	0.773	S	S	*	*			trans	68.8	154	163.5	-54.1	-139.7	161.4	0	0	116.6
822	N	27.2	Very low	30.8	Very low	117 Å²	117	139.5 Å²	139.5	63%	0.626	78%	0.776	S	S	*	*			cis	-155.1	174.3	-21.3	-124.2	-43.5	0	0	0	110.6
823	L	31.5	Very low	30.7	Very low	163 Å²	163	141.1 Å²	141.1	85%	0.853	78%	0.776	S	S	*	*			trans	69.8	126.3	157.2	-66.8	152	0	0	0	120.5
824	S	22.5	Very low	30.3	Very low	102 Å²	102	147.9 Å²	147.9	71%	0.713	79%	0.788	S	S	*	*			trans	-114.8	-168.7	149.3	69.2	0	0	0	0	107.3
825	P	33.4	Very low	30.2	Very low	113 Å²	113	149.1 Å²	149.1	73%	0.734	78%	0.779	S	S	*	*			cis	-137.3	-163.7	-10	34.4	-11.8	0	0	0	113.6
826	A	29.5	Very low	30.1	Very low	77 Å²	77	157.3 Å²	157.3	64%	0.636	79%	0.789	S	S	*	*			trans	86.3	115.8	136.3	0	0	0	0	0	123.9
827	R	28.4	Very low	29.8	Very low	229 Å²	229	158.6 Å²	158.6	86%	0.864	79%	0.793	S	S	*	*				79.5	145.5	120.9	-75.7	-179.6	167.3	-179.3	-4.1	122.6
828	K	30	Very low	30.1	Very low	175 Å²	175	159.5 Å²	159.5	76%	0.761	78%	0.784	S	S	*	*			trans	83	120.8	154.2	-72.3	163.4	178.8	179.3	0	119.9
829	N	29.4	Very low	30	Very low	149 Å²	149	160.9 Å²	160.9	80%	0.797	78%	0.783	S	S	*	*			trans	152.3	72.1	131	-75.7	-20.9	0	0	0	108.8
830	Q	32.9	Very low	30.2	Very low	174 Å²	174	157 Å²	157	81%	0.813	77%	0.772	S	S	*	*				40	97.2	74.7	-159.4	179.4	51	0	0	113.5
831	C	27	Very low	30.7	Very low	130 Å²	130	157.6 Å²	157.6	88%	0.878	77%	0.767	S	S	*	*			trans	-117.4	90.6	167.1	-166	0	0	0	0	110	K833	C831-K833 PolarHBondContact O-N 3.46Å
832	F	28.1	Very low	31.1	Very low	179 Å²	179	152.9 Å²	152.9	79%	0.785	75%	0.747	S	S	*	*			trans	-91.6	81.2	-173.5	-175.3	-92.5	0	0	0	110.7
833	K	32.6	Very low	31.5	Very low	193 Å²	193	153.8 Å²	153.8	84%	0.839	75%	0.748	S	S	*	*			trans	-166.2	81.6	172.1	-113	158.1	-172.3	177.7	0	115.4	C831	C831-K833 PolarHBondContact O-N 3.46Å
834	R	32.1	Very low	31.6	Very low	248 Å²	248	151.4 Å²	151.4	94%	0.936	74%	0.735	S	S	*	*			trans	173.1	82.4	136.5	-94.1	170.8	-165.6	-118.9	4.2	110.5
835	R	31	Very low	32.6	Very low	208 Å²	208	151.2 Å²	151.2	79%	0.785	72%	0.723	S	S	*	*			trans	-66.1	163.6	153.1	-91.4	-174.4	168.2	-164.9	-1.5	108.2	E615	E615-R835 IonicContact OE1-NH1 3.55Å
836	R	30.1	Very low	32.8	Very low	240 Å²	240	148.4 Å²	148.4	91%	0.906	71%	0.709	S	S	*	*	S	Bend	trans	75	117.3	-168.1	-50.8	174.1	-178.9	-178.7	-0.9	111.8
837	T	27.9	Very low	33	Very low	127 Å²	127	148.9 Å²	148.9	78%	0.779	71%	0.705	S	S	*	*	S	Bend	cis	-136.6	118.5	-5.3	41.1	0	0	0	0	108
838	R	33.8	Very low	33.5	Very low	188 Å²	188	142.2 Å²	142.2	71%	0.709	69%	0.689	S	S	*	*			trans	-151.9	25.8	-169.1	-135.1	-170.6	176.5	153.1	2.5	115.4	N842	R838-N842 WeakPolarHBondContact CG-OD1 3.48Å; R838-N842 PolarHBondContact NE-OD1 2.99Å; R838-N842 PolarHBondContact O-OD1 3.46Å
839	S	33	Very low	34	Very low	94 Å²	94	137.9 Å²	137.9	66%	0.657	67%	0.674	S	S	*	*	S	Bend	trans	-104.3	2.9	-169.7	-161.4	0	0	0	0	114.8
840	V	36.5	Very low	34.8	Very low	105 Å²	105	136 Å²	136	64%	0.636	67%	0.668	S	S	*	*	S	Bend	trans	-124.4	-45.5	-178.7	-176.3	0	0	0	0	110.5	N842 Q843 L844	V840-N842 PolarHBondContact O-N 3.5Å; V840-Q843 PolarHBondContact O-N 2.82Å; V840-L844 PolarHBondContact O-N 3.26Å; V840-L844 VanDerWaalsContact O-N 3.09Å
841	E	36.9	Very low	35	Very low	127 Å²	127	132.8 Å²	132.8	59%	0.593	66%	0.657	S	S	*	*	H	α-helix	trans	-54.7	-50.1	173.1	-67.9	173.2	128	0	0	111.1	Q843 L844 E845	E841-Q843 PolarHBondContact O-N 2.87Å; E841-Q843 VanDerWaalsContact O-N 3.08Å; E841-L844 CarbonylContact O-C 2.97Å; E841-L844 WeakPolarHBondContact O-CA 3.27Å; E841-L844 PolarHBondContact O-N 2.65Å; E841-E845 WeakPolarHBondContact O-CG 3.38Å; E841-E845 PolarHBondContact O-N 2.71Å
842	N	38.7	Very low	35.6	Very low	72 Å²	72	128.4 Å²	128.4	39%	0.385	63%	0.626	S	S	.	*	H	α-helix	trans	-62.8	-15.6	177.3	-78.7	88.5	0	0	0	115.2	R838 V840 A846	R838-N842 WeakPolarHBondContact CG-OD1 3.48Å; R838-N842 PolarHBondContact NE-OD1 2.99Å; R838-N842 PolarHBondContact O-OD1 3.46Å; V840-N842 PolarHBondContact O-N 3.5Å; N842-A846 VanDerWaalsContact O-CB 3.24Å; N842-A846 WeakPolarHBondContact O-CB 3.45Å; N842-A846 PolarHBondContact O-N 3.33Å
843	Q	35.7	Very low	36.3	Very low	137 Å²	137	128.2 Å²	128.2	64%	0.64	63%	0.627	S	S	*	*	H	α-helix	trans	-91	-27.1	172	-70.2	-172.8	-10.1	0	0	112.5	V840 E841 T847	V840-Q843 PolarHBondContact O-N 2.82Å; E841-Q843 PolarHBondContact O-N 2.87Å; E841-Q843 VanDerWaalsContact O-N 3.08Å; Q843-T847 PolarHBondContact O-N 3.12Å; Q843-T847 PolarHBondContact O-OG1 3.17Å
844	L	34.7	Very low	36.5	Very low	113 Å²	113	126.9 Å²	126.9	59%	0.592	62%	0.624	S	S	*	*	H	α-helix	trans	-73.6	-44.7	166.8	-111.9	72.1	0	0	0	111.4	V840 E841 A846 T847 V848	V840-L844 PolarHBondContact O-N 3.26Å; V840-L844 VanDerWaalsContact O-N 3.09Å; E841-L844 CarbonylContact O-C 2.97Å; E841-L844 WeakPolarHBondContact O-CA 3.27Å; E841-L844 PolarHBondContact O-N 2.65Å; L844-A846 VanDerWaalsContact C-N 3.33Å; L844-A846 PolarHBondContact O-N 3.25Å; L844-T847 CarbonylContact O-C 3.37Å; L844-T847 PolarHBondContact O-N 3.31Å; L844-T847 PolarHBondContact O-OG1 3.08Å; L844-T847 VanDerWaalsContact O-OG1 3.13Å; L844-V848 WeakPolarHBondContact O-CG2 3.41Å; L844-V848 PolarHBondContact O-N 3.18Å
845	E	42.9	Very low	36.8	Very low	97 Å²	97	121.5 Å²	121.5	45%	0.453	61%	0.614	S	S	.	*	H	α-helix	trans	-56.1	-48	171.6	-69.7	179.3	139	0	0	109.6	E841 T847 V848 D849	E841-E845 WeakPolarHBondContact O-CG 3.38Å; E841-E845 PolarHBondContact O-N 2.71Å; E845-T847 PolarHBondContact O-N 3.47Å; E845-T847 VanDerWaalsContact O-N 3.09Å; E845-V848 CarbonylContact O-C 3.37Å; E845-V848 PolarHBondContact O-N 2.96Å; E845-D849 VanDerWaalsContact O-CB 3.31Å; E845-D849 WeakPolarHBondContact O-CB 3.28Å; E845-D849 VanDerWaalsContact O-CG 3.31Å; E845-D849 PolarHBondContact O-N 3.46Å
846	A	37.6	Very low	37.2	Very low	54 Å²	54	118.6 Å²	118.6	45%	0.446	61%	0.614	S	S	.	*	H	α-helix	trans	-62.1	-19.1	176	0	0	0	0	0	115.5	N842 L844 T850	N842-A846 VanDerWaalsContact O-CB 3.24Å; N842-A846 WeakPolarHBondContact O-CB 3.45Å; N842-A846 PolarHBondContact O-N 3.33Å; L844-A846 VanDerWaalsContact C-N 3.33Å; L844-A846 PolarHBondContact O-N 3.25Å; A846-T850 WeakPolarHBondContact O-CG2 3.49Å; A846-T850 PolarHBondContact O-OG1 3Å
847	T	32.8	Very low	38.5	Very low	88 Å²	88	111.2 Å²	111.2	54%	0.54	60%	0.604	S	S	.	*	H	α-helix	trans	-97.6	-14.9	173	36.6	0	0	0	0	113.9	Q843 L844 E845 T850 N851	Q843-T847 PolarHBondContact O-N 3.12Å; Q843-T847 PolarHBondContact O-OG1 3.17Å; L844-T847 CarbonylContact O-C 3.37Å; L844-T847 PolarHBondContact O-N 3.31Å; L844-T847 PolarHBondContact O-OG1 3.08Å; L844-T847 VanDerWaalsContact O-OG1 3.13Å; E845-T847 PolarHBondContact O-N 3.47Å; E845-T847 VanDerWaalsContact O-N 3.09Å; T847-T850 WeakPolarHBondContact CA-OG1 3.38Å; T847-T850 PolarHBondContact O-OG1 3.34Å; T847-T850 VanDerWaalsContact O-OG1 3.08Å; T847-N851 PolarHBondContact O-ND2 2.95Å
848	V	40.2	Very low	40.1	Very low	88 Å²	88	109.8 Å²	109.8	53%	0.533	59%	0.592	S	S	.	*	H	α-helix	trans	-84.3	-40.9	167.4	172.7	0	0	0	0	110.4	L844 E845 T850 N851 V852	L844-V848 WeakPolarHBondContact O-CG2 3.41Å; L844-V848 PolarHBondContact O-N 3.18Å; E845-V848 CarbonylContact O-C 3.37Å; E845-V848 PolarHBondContact O-N 2.96Å; V848-T850 VanDerWaalsContact C-N 3.31Å; V848-T850 PolarHBondContact O-N 3.43Å; V848-N851 CarbonylContact O-C 3.55Å; V848-N851 WeakPolarHBondContact O-CA 3.14Å; V848-N851 WeakPolarHBondContact O-CB 3.45Å; V848-N851 PolarHBondContact O-N 2.97Å; V848-V852 PolarHBondContact O-N 3.31Å
849	D	39.4	Very low	41.5	Very low	84 Å²	84	103.3 Å²	103.3	45%	0.449	57%	0.57	S	S	.	*	H	α-helix	trans	-66	-29.1	178.1	-72.8	-27.8	0	0	0	112.4	E845 N851 V852	E845-D849 VanDerWaalsContact O-CB 3.31Å; E845-D849 WeakPolarHBondContact O-CB 3.28Å; E845-D849 VanDerWaalsContact O-CG 3.31Å; E845-D849 PolarHBondContact O-N 3.46Å; D849-N851 PolarHBondContact O-N 3.25Å; D849-N851 VanDerWaalsContact O-N 3.09Å; D849-V852 PolarHBondContact O-N 3.38Å
850	T	45.8	Very low	42.9	Very low	111 Å²	111	101.9 Å²	101.9	68%	0.681	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-6.6	168	46.6	0	0	0	0	113.8	A846 T847 V848	A846-T850 WeakPolarHBondContact O-CG2 3.49Å; A846-T850 PolarHBondContact O-OG1 3Å; T847-T850 WeakPolarHBondContact CA-OG1 3.38Å; T847-T850 PolarHBondContact O-OG1 3.34Å; T847-T850 VanDerWaalsContact O-OG1 3.08Å; V848-T850 VanDerWaalsContact C-N 3.31Å; V848-T850 PolarHBondContact O-N 3.43Å
851	N	38.7	Very low	44.3	Very low	106 Å²	106	96.9 Å²	96.9	57%	0.567	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	7.2	172.1	-65.4	-86.1	0	0	0	113	T847 V848 D849 M862	T847-N851 PolarHBondContact O-ND2 2.95Å; V848-N851 CarbonylContact O-C 3.55Å; V848-N851 WeakPolarHBondContact O-CA 3.14Å; V848-N851 WeakPolarHBondContact O-CB 3.45Å; V848-N851 PolarHBondContact O-N 2.97Å; D849-N851 PolarHBondContact O-N 3.25Å; D849-N851 VanDerWaalsContact O-N 3.09Å; N851-M862 HydrophobicContact CB-SD 4.41Å
852	V	39.2	Very low	45.2	Very low	37 Å²	37	95.6 Å²	95.6	22%	0.224	52%	0.522	C	S	.	.			trans	-122.8	106.8	178	178.4	0	0	0	0	109.7	V848 D849 Q854	V848-V852 PolarHBondContact O-N 3.31Å; D849-V852 PolarHBondContact O-N 3.38Å; V852-Q854 PolarHBondContact O-N 2.77Å
853	Q	43.3	Very low	45.7	Very low	175 Å²	175	96.7 Å²	96.7	82%	0.818	53%	0.527	S	S	*	.			trans	-68.7	121.5	163.6	-71.9	-165	-98.5	0	0	109	D855	Q853-D855 PolarHBondContact O-N 3.47Å
854	Q	36.4	Very low	46.9	Very low	165 Å²	165	92.8 Å²	92.8	77%	0.771	51%	0.514	S	S	*	.			trans	-77.7	74.8	170	-69.3	-175.6	-7.7	0	0	110.3	V852	V852-Q854 PolarHBondContact O-N 2.77Å
855	D	37.9	Very low	48	Very low	136 Å²	136	90.4 Å²	90.4	73%	0.727	50%	0.499	S	S	*	.	S	Bend	trans	-145.6	121.4	162.6	-81.6	-50.2	0	0	0	108.8	Q853	Q853-D855 PolarHBondContact O-N 3.47Å
856	D	40.6	Very low	49.2	Very low	147 Å²	147	90.4 Å²	90.4	79%	0.786	50%	0.498	S	S	*	.	S	Bend	trans	45	84.9	169.3	-65.4	-25.3	0	0	0	120.7	N858	D856-N858 VanDerWaalsContact C-N 3.27Å; D856-N858 PolarHBondContact O-N 3.17Å; D856-N858 PolarHBondContact O-ND2 3.47Å
857	A	56.1	Low	51	Low	85 Å²	85	91.9 Å²	91.9	70%	0.702	50%	0.501	S	S	*	.	S	Bend	trans	62.7	1.7	141.8	0	0	0	0	0	119.8
858	N	61.6	Low	52.6	Low	96 Å²	96	88.8 Å²	88.8	51%	0.513	48%	0.48	S	S	.	.			trans	-130.6	108	-170.8	-76.7	-74.9	0	0	0	113.7	D856 V867	D856-N858 VanDerWaalsContact C-N 3.27Å; D856-N858 PolarHBondContact O-N 3.17Å; D856-N858 PolarHBondContact O-ND2 3.47Å; N858-V867 HydrophobicContact CB-CG1 3.62Å; N858-V867 VanDerWaalsContact OD1-CG1 3.27Å; N858-V867 WeakPolarHBondContact OD1-CG1 3.24Å
859	Q	63.1	Low	54.3	Low	53 Å²	53	87.4 Å²	87.4	25%	0.248	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	134.8	173.4	-63	-70	-25.7	0	0	110.2	F868 L874	Q859-F868 WeakPolarHBondContact CA-O 3.44Å; Q859-F868 HydrophobicContact CB-CB 4.46Å; Q859-F868 WeakPolarHBondContact CB-O 3.2Å; Q859-F868 PolarHBondContact N-O 3.1Å; Q859-F868 WeakPolarHBondContact O-CA 3.48Å; Q859-F868 WeakPolarHBondContact O-CB 3.49Å; Q859-F868 PolarHBondContact O-N 2.81Å; Q859-L874 HydrophobicContact CB-CB 4.34Å; Q859-L874 HydrophobicContact CB-CD2 4.09Å
860	V	61.8	Low	55.7	Low	64 Å²	64	83.6 Å²	83.6	39%	0.388	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.4	-171.9	-174	0	0	0	0	111.9	M862 K865 V867	V860-M862 PolarHBondContact O-N 2.88Å; V860-K865 HydrophobicContact CG1-CD 4.1Å; V860-V867 HydrophobicContact CG2-CG1 4.43Å; V860-V867 HydrophobicContact CG2-CG2 4.28Å
861	C	66.2	Low	56.8	Low	0 Å²	0	81.4 Å²	81.4	0%	0	44%	0.439	C	S	.	.			trans	-72.4	123.5	175.5	-177.3	0	0	0	0	112.8	L863 K865 K866 F868 L874 H877 H881	C861-L863 PolarHBondContact O-N 3.09Å; C861-L863 PolarHBondContact SG-N 2.97Å; C861-K865 VanDerWaalsContact O-CA 3.23Å; C861-K865 WeakPolarHBondContact O-CA 3.24Å; C861-K865 PolarHBondContact O-N 2.82Å; C861-K866 PolarHBondContact N-O 3.26Å; C861-F868 HydrophobicContact CB-CE2 3.96Å; C861-L874 VanDerWaalsContact CA-CD1 3.47Å; C861-L874 HydrophobicContact CB-CD1 3.72Å; C861-H877 VanDerWaalsContact CB-CD2 3.44Å; C861-H877 WeakPolarHBondContact CB-CD2 3.27Å; C861-H877 WeakPolarHBondContact CB-NE2 3.35Å; C861-H877 PolarHBondContact SG-CD2 2.91Å; C861-H877 PolarHBondContact SG-NE2 3.12Å; C861-H881 VanDerWaalsContact SG-CD2 3.54Å
862	M	56.5	Low	58	Low	100 Å²	100	78.7 Å²	78.7	49%	0.493	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-7.5	176.1	-60.8	-162.6	-74.4	0	0	114.2	R477 N851 V860	R477-M862 PolarHBondContact NH2-O 3.44Å; N851-M862 HydrophobicContact CB-SD 4.41Å; V860-M862 PolarHBondContact O-N 2.88Å
863	L	48.8	Very low	59.3	Low	94 Å²	94	79.3 Å²	79.3	49%	0.492	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-39	-174.1	-59	176.2	0	0	0	114	C861 L878 H881	C861-L863 PolarHBondContact O-N 3.09Å; C861-L863 PolarHBondContact SG-N 2.97Å; L863-L878 HydrophobicContact CD1-CD2 3.9Å; L863-L878 HydrophobicContact CG-CD2 4.34Å; L863-H881 HydrophobicContact CB-CB 4.34Å; L863-H881 VanDerWaalsContact CB-CE1 3.48Å; L863-H881 WeakPolarHBondContact CB-CE1 3.01Å; L863-H881 WeakPolarHBondContact CB-NE2 3.31Å; L863-H881 HydrophobicContact CD1-CB 3.58Å
864	C	60.5	Low	60.7	Low	56 Å²	56	72.1 Å²	72.1	38%	0.378	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	13.6	168.6	77.8	0	0	0	0	116.3	K866 H877 H881	C864-K866 PolarHBondContact O-N 2.87Å; C864-H877 PolarHBondContact SG-CE1 2.8Å; C864-H877 PolarHBondContact SG-NE2 2.98Å; C864-H881 VanDerWaalsContact CB-NE2 3.27Å; C864-H881 WeakPolarHBondContact CB-NE2 3.31Å; C864-H881 PolarHBondContact N-NE2 3.49Å; C864-H881 VanDerWaalsContact N-NE2 3.11Å; C864-H881 PolarHBondContact SG-NE2 3.36Å
865	K	59.3	Low	62	Low	63 Å²	63	70.1 Å²	70.1	27%	0.274	39%	0.385	S	S	.	.			trans	61.9	8.2	171.5	-63	-85.9	164.4	155.3	0	116.8	L492 V860 C861 V867	L492-K865 HydrophobicContact CB-CD 4.28Å; L492-K865 HydrophobicContact CB-CG 4.32Å; L492-K865 HydrophobicContact CD2-CG 3.68Å; L492-K865 HydrophobicContact CG-CG 4.46Å; L492-K865 WeakPolarHBondContact O-CD 3.4Å; L492-K865 VanDerWaalsContact O-CE 3.32Å; L492-K865 WeakPolarHBondContact O-CE 3.44Å; L492-K865 PolarHBondContact O-NZ 3.27Å; V860-K865 HydrophobicContact CG1-CD 4.1Å; C861-K865 VanDerWaalsContact O-CA 3.23Å; C861-K865 WeakPolarHBondContact O-CA 3.24Å; C861-K865 PolarHBondContact O-N 2.82Å; K865-V867 PolarHBondContact O-N 3.3Å
866	K	66.7	Low	63.3	Low	97 Å²	97	66.6 Å²	66.6	42%	0.422	37%	0.371	S	S	.	.			trans	-49.8	130.9	160.4	-74.7	176.6	-166.8	172.1	0	108.6	C861 C864 F868 H877 E880	C861-K866 PolarHBondContact N-O 3.26Å; C864-K866 PolarHBondContact O-N 2.87Å; K866-F868 HydrophobicContact CB-CD2 4.38Å; K866-F868 HydrophobicContact CB-CE1 4.37Å; K866-F868 HydrophobicContact CB-CE2 3.38Å; K866-F868 HydrophobicContact CB-CZ 3.38Å; K866-F868 HydrophobicContact CD-CZ 3.78Å; K866-F868 HydrophobicContact CG-CZ 4.24Å; K866-F868 VanDerWaalsContact O-CD2 3.29Å; K866-F868 WeakPolarHBondContact O-CD2 3.06Å; K866-F868 WeakPolarHBondContact O-CE2 3.47Å; K866-H877 PolarHBondContact NZ-ND1 3.24Å; K866-E880 IonicContact NZ-OE2 3.14Å; K866-E880 PolarHBondContact NZ-OE2 3.05Å
867	V	75.5	Confident	64.5	Low	84 Å²	84	59.9 Å²	59.9	51%	0.509	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.1	175.4	-175.2	0	0	0	0	108.5	N858 V860 K865	N858-V867 HydrophobicContact CB-CG1 3.62Å; N858-V867 VanDerWaalsContact OD1-CG1 3.27Å; N858-V867 WeakPolarHBondContact OD1-CG1 3.24Å; V860-V867 HydrophobicContact CG2-CG1 4.43Å; V860-V867 HydrophobicContact CG2-CG2 4.28Å; K865-V867 PolarHBondContact O-N 3.3Å
868	F	67.9	Low	64.7	Low	24 Å²	24	59 Å²	59	11%	0.105	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	122.4	-174.4	-65.1	-74.8	0	0	0	110.4	Q859 C861 K866 S870 K873 L874 H877	Q859-F868 WeakPolarHBondContact CA-O 3.44Å; Q859-F868 HydrophobicContact CB-CB 4.46Å; Q859-F868 WeakPolarHBondContact CB-O 3.2Å; Q859-F868 PolarHBondContact N-O 3.1Å; Q859-F868 WeakPolarHBondContact O-CA 3.48Å; Q859-F868 WeakPolarHBondContact O-CB 3.49Å; Q859-F868 PolarHBondContact O-N 2.81Å; C861-F868 HydrophobicContact CB-CE2 3.96Å; K866-F868 HydrophobicContact CB-CD2 4.38Å; K866-F868 HydrophobicContact CB-CE1 4.37Å; K866-F868 HydrophobicContact CB-CE2 3.38Å; K866-F868 HydrophobicContact CB-CZ 3.38Å; K866-F868 HydrophobicContact CD-CZ 3.78Å; K866-F868 HydrophobicContact CG-CZ 4.24Å; K866-F868 VanDerWaalsContact O-CD2 3.29Å; K866-F868 WeakPolarHBondContact O-CD2 3.06Å; K866-F868 WeakPolarHBondContact O-CE2 3.47Å; F868-S870 PolarHBondContact O-N 2.86Å; F868-K873 HydrophobicContact CB-CB 3.93Å; F868-K873 HydrophobicContact CD1-CB 3.7Å; F868-K873 HydrophobicContact CD1-CD 4.08Å; F868-K873 HydrophobicContact CD1-CG 3.91Å; F868-K873 HydrophobicContact CG-CB 4.09Å; F868-L874 HydrophobicContact CB-CB 4.33Å; F868-L874 HydrophobicContact CD2-CB 4.06Å; F868-L874 HydrophobicContact CD2-CD1 4.26Å; F868-L874 HydrophobicContact CG-CB 4.33Å; F868-H877 HydrophobicContact CE1-CB 3.92Å; F868-H877 HydrophobicContact CE2-CB 3.94Å; F868-H877 AromaticContact CE2-CD2 3.24Å; F868-H877 WeakPolarHBondContact CE2-CD2 3.41Å; F868-H877 AromaticContact CE2-CG 3.69Å; F868-H877 HydrophobicContact CZ-CB 3.37Å; F868-H877 AromaticContact CZ-CD2 3.29Å; F868-H877 WeakPolarHBondContact CZ-CD2 3.2Å; F868-H877 AromaticContact CZ-CG 3.23Å
869	D	74.4	Confident	64.6	Low	58 Å²	58	58.5 Å²	58.5	31%	0.31	31%	0.314	S	S	.	.	S	Bend	trans	-64.4	9.5	170	50.7	64.3	0	0	0	115.1	K873	D869-K873 WeakPolarHBondContact OD1-CD 3.01Å; D869-K873 WeakPolarHBondContact OD1-CE 3.16Å; D869-K873 IonicContact OD1-NZ 2.74Å; D869-K873 PolarHBondContact OD1-NZ 3.43Å; D869-K873 IonicContact OD2-NZ 3.7Å; D869-K873 PolarHBondContact OD2-NZ 3.18Å
870	S	70.5	Confident	64.3	Low	4 Å²	4	60.5 Å²	60.5	3%	0.028	32%	0.323	C	S	.	.	S	Bend	trans	-159.3	157.2	169.8	104.2	0	0	0	0	113.5	N678 F868 S872 K873 L874	N678-S870 WeakPolarHBondContact CA-OG 3.24Å; N678-S870 WeakPolarHBondContact O-CB 3.46Å; N678-S870 PolarHBondContact O-OG 3.19Å; F868-S870 PolarHBondContact O-N 2.86Å; S870-S872 PolarHBondContact OG-N 2.87Å; S870-K873 WeakPolarHBondContact O-CB 3.44Å; S870-K873 PolarHBondContact O-N 3.11Å; S870-K873 PolarHBondContact OG-N 3.3Å; S870-K873 VanDerWaalsContact OG-N 3.1Å; S870-L874 PolarHBondContact O-N 3.09Å
871	S	67.3	Low	63.8	Low	66 Å²	66	59.5 Å²	59.5	46%	0.462	31%	0.314	S	S	.	.	H	α-helix	trans	-66.9	-37.7	176.6	176	0	0	0	0	113.3	L874 Q875	S871-L874 WeakPolarHBondContact O-CB 3.5Å; S871-L874 PolarHBondContact O-N 2.86Å; S871-Q875 PolarHBondContact O-N 2.84Å
872	S	65	Low	62.9	Low	48 Å²	48	62.8 Å²	62.8	34%	0.336	34%	0.338	S	S	.	.	H	α-helix	trans	-77.3	-23.9	179.3	-12.1	0	0	0	0	112.6	N678 S870 Q875 C876	N678-S872 WeakPolarHBondContact CB-OG 3.16Å; S870-S872 PolarHBondContact OG-N 2.87Å; S872-Q875 PolarHBondContact O-N 2.76Å; S872-C876 PolarHBondContact O-N 3.09Å; S872-C876 PolarHBondContact O-SG 3.09Å; S872-C876 VanDerWaalsContact O-SG 3.33Å
873	K	66.4	Low	62.1	Low	51 Å²	51	63.2 Å²	63.2	22%	0.222	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-44.8	167.6	-123.7	173.8	177	162.8	0	110.5	I679 F868 D869 S870 C876 H877	I679-K873 VanDerWaalsContact CG2-NZ 3.31Å; I679-K873 PolarHBondContact O-NZ 3.43Å; F868-K873 HydrophobicContact CB-CB 3.93Å; F868-K873 HydrophobicContact CD1-CB 3.7Å; F868-K873 HydrophobicContact CD1-CD 4.08Å; F868-K873 HydrophobicContact CD1-CG 3.91Å; F868-K873 HydrophobicContact CG-CB 4.09Å; D869-K873 WeakPolarHBondContact OD1-CD 3.01Å; D869-K873 WeakPolarHBondContact OD1-CE 3.16Å; D869-K873 IonicContact OD1-NZ 2.74Å; D869-K873 PolarHBondContact OD1-NZ 3.43Å; D869-K873 IonicContact OD2-NZ 3.7Å; D869-K873 PolarHBondContact OD2-NZ 3.18Å; S870-K873 WeakPolarHBondContact O-CB 3.44Å; S870-K873 PolarHBondContact O-N 3.11Å; S870-K873 PolarHBondContact OG-N 3.3Å; S870-K873 VanDerWaalsContact OG-N 3.1Å; K873-C876 PolarHBondContact O-N 3.31Å; K873-H877 WeakPolarHBondContact O-CB 3.41Å; K873-H877 PolarHBondContact O-N 2.99Å; K873-H877 VanDerWaalsContact O-N 3.12Å
874	L	72.5	Confident	61.4	Low	23 Å²	23	63.9 Å²	63.9	12%	0.12	34%	0.344	C	S	.	.	H	α-helix	trans	-57.7	-46	170.5	167	61.3	0	0	0	110.9	Q859 C861 F868 S870 S871 H877 L878	Q859-L874 HydrophobicContact CB-CB 4.34Å; Q859-L874 HydrophobicContact CB-CD2 4.09Å; C861-L874 VanDerWaalsContact CA-CD1 3.47Å; C861-L874 HydrophobicContact CB-CD1 3.72Å; F868-L874 HydrophobicContact CB-CB 4.33Å; F868-L874 HydrophobicContact CD2-CB 4.06Å; F868-L874 HydrophobicContact CD2-CD1 4.26Å; F868-L874 HydrophobicContact CG-CB 4.33Å; S870-L874 PolarHBondContact O-N 3.09Å; S871-L874 WeakPolarHBondContact O-CB 3.5Å; S871-L874 PolarHBondContact O-N 2.86Å; L874-H877 CarbonylContact O-C 3.58Å; L874-H877 PolarHBondContact O-N 3.09Å; L874-H877 VanDerWaalsContact O-N 3.17Å; L874-L878 HydrophobicContact CD1-CD1 3.98Å; L874-L878 HydrophobicContact CD1-CD2 4.35Å; L874-L878 HydrophobicContact CD1-CG 3.89Å; L874-L878 HydrophobicContact CG-CD1 4.02Å; L874-L878 HydrophobicContact CG-CG 4.38Å; L874-L878 WeakPolarHBondContact O-CG 3.46Å; L874-L878 PolarHBondContact O-N 3.32Å
875	Q	63	Low	60.1	Low	124 Å²	124	64.5 Å²	64.5	58%	0.579	36%	0.361	S	S	*	.	H	α-helix	trans	-61.2	-47.5	175.5	-76	-165.8	-21.1	0	0	113.8	S871 S872 H877 L878 I879	S871-Q875 PolarHBondContact O-N 2.84Å; S872-Q875 PolarHBondContact O-N 2.76Å; Q875-H877 PolarHBondContact O-N 3.44Å; Q875-H877 VanDerWaalsContact O-N 3.13Å; Q875-L878 PolarHBondContact O-N 2.96Å; Q875-L878 VanDerWaalsContact O-N 3.08Å; Q875-I879 WeakPolarHBondContact O-CG1 3.39Å; Q875-I879 PolarHBondContact O-N 2.63Å
876	C	64.8	Low	59	Low	62 Å²	62	66.8 Å²	66.8	42%	0.419	38%	0.384	S	S	.	.	H	α-helix	trans	-54.9	-33.1	175.1	-70.6	0	0	0	0	112.2	S872 K873 I879 E880	S872-C876 PolarHBondContact O-N 3.09Å; S872-C876 PolarHBondContact O-SG 3.09Å; S872-C876 VanDerWaalsContact O-SG 3.33Å; K873-C876 PolarHBondContact O-N 3.31Å; C876-I879 WeakPolarHBondContact O-CB 3.41Å; C876-E880 PolarHBondContact O-N 2.89Å
877	H	66.3	Low	57.9	Low	6 Å²	6	68.9 Å²	68.9	3%	0.028	41%	0.41	C	S	.	.	H	α-helix	trans	-86.6	-26.1	177.9	170.8	58.2	0	0	0	114.3	C861 C864 K866 F868 K873 L874 Q875 I879 E880 H881	C861-H877 VanDerWaalsContact CB-CD2 3.44Å; C861-H877 WeakPolarHBondContact CB-CD2 3.27Å; C861-H877 WeakPolarHBondContact CB-NE2 3.35Å; C861-H877 PolarHBondContact SG-CD2 2.91Å; C861-H877 PolarHBondContact SG-NE2 3.12Å; C864-H877 PolarHBondContact SG-CE1 2.8Å; C864-H877 PolarHBondContact SG-NE2 2.98Å; K866-H877 PolarHBondContact NZ-ND1 3.24Å; F868-H877 HydrophobicContact CE1-CB 3.92Å; F868-H877 HydrophobicContact CE2-CB 3.94Å; F868-H877 AromaticContact CE2-CD2 3.24Å; F868-H877 WeakPolarHBondContact CE2-CD2 3.41Å; F868-H877 AromaticContact CE2-CG 3.69Å; F868-H877 HydrophobicContact CZ-CB 3.37Å; F868-H877 AromaticContact CZ-CD2 3.29Å; F868-H877 WeakPolarHBondContact CZ-CD2 3.2Å; F868-H877 AromaticContact CZ-CG 3.23Å; K873-H877 WeakPolarHBondContact O-CB 3.41Å; K873-H877 PolarHBondContact O-N 2.99Å; K873-H877 VanDerWaalsContact O-N 3.12Å; L874-H877 CarbonylContact O-C 3.58Å; L874-H877 PolarHBondContact O-N 3.09Å; L874-H877 VanDerWaalsContact O-N 3.17Å; Q875-H877 PolarHBondContact O-N 3.44Å; Q875-H877 VanDerWaalsContact O-N 3.13Å; H877-I879 PolarHBondContact O-N 3.39Å; H877-E880 IonicContact CE1-OE2 3.59Å; H877-E880 IonicContact CG-OE2 2.75Å; H877-E880 IonicContact ND1-OE2 3.72Å; H877-E880 PolarHBondContact ND1-OE2 2.92Å; H877-E880 WeakPolarHBondContact O-CB 3.41Å; H877-E880 PolarHBondContact O-N 3.3Å; H877-E880 VanDerWaalsContact O-N 3.17Å; H877-H881 AromaticContact CE1-CD2 3.25Å; H877-H881 PolarHBondContact CE1-CD2 2.91Å; H877-H881 AromaticContact CE1-NE2 3.32Å; H877-H881 PolarHBondContact CE1-NE2 3.34Å; H877-H881 VanDerWaalsContact CE1-NE2 3.32Å; H877-H881 AromaticContact NE2-CD2 3.18Å; H877-H881 PolarHBondContact NE2-CD2 3.39Å; H877-H881 AromaticContact NE2-NE2 3.24Å; H877-H881 PolarHBondContact NE2-NE2 3.37Å; H877-H881 PolarHBondContact O-N 3.33Å
878	L	61.6	Low	56.9	Low	66 Å²	66	65.5 Å²	65.5	35%	0.346	39%	0.392	S	S	.	.	H	α-helix	trans	-64.8	-31.7	165.5	-71.2	169.6	0	0	0	110.6	L863 L874 Q875 H881 S882	L863-L878 HydrophobicContact CD1-CD2 3.9Å; L863-L878 HydrophobicContact CG-CD2 4.34Å; L874-L878 HydrophobicContact CD1-CD1 3.98Å; L874-L878 HydrophobicContact CD1-CD2 4.35Å; L874-L878 HydrophobicContact CD1-CG 3.89Å; L874-L878 HydrophobicContact CG-CD1 4.02Å; L874-L878 HydrophobicContact CG-CG 4.38Å; L874-L878 WeakPolarHBondContact O-CG 3.46Å; L874-L878 PolarHBondContact O-N 3.32Å; Q875-L878 PolarHBondContact O-N 2.96Å; Q875-L878 VanDerWaalsContact O-N 3.08Å; L878-H881 WeakPolarHBondContact O-CB 3.39Å; L878-H881 PolarHBondContact O-N 3.27Å; L878-S882 PolarHBondContact O-N 3.28Å
879	I	58.2	Low	56.4	Low	85 Å²	85	66.3 Å²	66.3	44%	0.436	40%	0.396	S	S	.	.	H	α-helix	trans	-66.3	-43.7	168.2	-62.3	167.4	0	0	0	110.9	Q875 C876 H877 H881 S882 F883	Q875-I879 WeakPolarHBondContact O-CG1 3.39Å; Q875-I879 PolarHBondContact O-N 2.63Å; C876-I879 WeakPolarHBondContact O-CB 3.41Å; H877-I879 PolarHBondContact O-N 3.39Å; I879-H881 PolarHBondContact O-N 3.14Å; I879-S882 WeakPolarHBondContact CA-OG 3.48Å; I879-S882 PolarHBondContact O-N 3.5Å; I879-S882 PolarHBondContact O-OG 3.42Å; I879-F883 HydrophobicContact CG2-CD2 4.02Å; I879-F883 HydrophobicContact CG2-CE2 3.75Å; I879-F883 WeakPolarHBondContact O-CD2 3.48Å
880	E	57.1	Low	55.7	Low	95 Å²	95	68.9 Å²	68.9	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-53.8	-34.7	169.9	-66.2	-178.3	164.8	0	0	111.7	K866 C876 H877 F883 V884	K866-E880 IonicContact NZ-OE2 3.14Å; K866-E880 PolarHBondContact NZ-OE2 3.05Å; C876-E880 PolarHBondContact O-N 2.89Å; H877-E880 IonicContact CE1-OE2 3.59Å; H877-E880 IonicContact CG-OE2 2.75Å; H877-E880 IonicContact ND1-OE2 3.72Å; H877-E880 PolarHBondContact ND1-OE2 2.92Å; H877-E880 WeakPolarHBondContact O-CB 3.41Å; H877-E880 PolarHBondContact O-N 3.3Å; H877-E880 VanDerWaalsContact O-N 3.17Å; E880-F883 CarbonylContact O-C 3.59Å; E880-F883 WeakPolarHBondContact O-CA 3.45Å; E880-F883 PolarHBondContact O-N 3.43Å; E880-V884 PolarHBondContact O-N 3.41Å
881	H	51	Low	55.7	Low	43 Å²	43	68.7 Å²	68.7	20%	0.199	41%	0.405	C	S	.	.	H	α-helix	trans	-72.5	-32.3	-179.7	-98.6	-63.7	0	0	0	115.5	C861 L863 C864 H877 L878 I879 F883	C861-H881 VanDerWaalsContact SG-CD2 3.54Å; L863-H881 HydrophobicContact CB-CB 4.34Å; L863-H881 VanDerWaalsContact CB-CE1 3.48Å; L863-H881 WeakPolarHBondContact CB-CE1 3.01Å; L863-H881 WeakPolarHBondContact CB-NE2 3.31Å; L863-H881 HydrophobicContact CD1-CB 3.58Å; C864-H881 VanDerWaalsContact CB-NE2 3.27Å; C864-H881 WeakPolarHBondContact CB-NE2 3.31Å; C864-H881 PolarHBondContact N-NE2 3.49Å; C864-H881 VanDerWaalsContact N-NE2 3.11Å; C864-H881 PolarHBondContact SG-NE2 3.36Å; H877-H881 AromaticContact CE1-CD2 3.25Å; H877-H881 PolarHBondContact CE1-CD2 2.91Å; H877-H881 AromaticContact CE1-NE2 3.32Å; H877-H881 PolarHBondContact CE1-NE2 3.34Å; H877-H881 VanDerWaalsContact CE1-NE2 3.32Å; H877-H881 AromaticContact NE2-CD2 3.18Å; H877-H881 PolarHBondContact NE2-CD2 3.39Å; H877-H881 AromaticContact NE2-NE2 3.24Å; H877-H881 PolarHBondContact NE2-NE2 3.37Å; H877-H881 PolarHBondContact O-N 3.33Å; L878-H881 WeakPolarHBondContact O-CB 3.39Å; L878-H881 PolarHBondContact O-N 3.27Å; I879-H881 PolarHBondContact O-N 3.14Å; H881-F883 PolarHBondContact O-N 3.26Å
882	S	47.3	Very low	55.6	Low	70 Å²	70	71 Å²	71	49%	0.49	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-6.5	165	35.9	0	0	0	0	113	L878 I879	L878-S882 PolarHBondContact O-N 3.28Å; I879-S882 WeakPolarHBondContact CA-OG 3.48Å; I879-S882 PolarHBondContact O-N 3.5Å; I879-S882 PolarHBondContact O-OG 3.42Å
883	F	40.5	Very low	55.7	Low	108 Å²	108	71.3 Å²	71.3	47%	0.474	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-11.9	-177	-62.5	-54	0	0	0	116.7	I879 E880 H881 F889 P901	I879-F883 HydrophobicContact CG2-CD2 4.02Å; I879-F883 HydrophobicContact CG2-CE2 3.75Å; I879-F883 WeakPolarHBondContact O-CD2 3.48Å; E880-F883 CarbonylContact O-C 3.59Å; E880-F883 WeakPolarHBondContact O-CA 3.45Å; E880-F883 PolarHBondContact O-N 3.43Å; H881-F883 PolarHBondContact O-N 3.26Å; F883-F889 HydrophobicContact CD1-CE1 4.45Å; F883-F889 WeakPolarHBondContact O-CE1 3.46Å; F883-F889 WeakPolarHBondContact O-CZ 3.37Å; F883-P901 HydrophobicContact CD1-CB 3.75Å; F883-P901 HydrophobicContact CD1-CG 4.31Å; F883-P901 HydrophobicContact CE1-CB 3.93Å
884	V	33.8	Very low	56.1	Low	108 Å²	108	71.5 Å²	71.5	66%	0.655	41%	0.409	S	S	*	.	S	Bend	trans	-149.6	127.3	-177.4	-170.7	0	0	0	0	111.8	E880	E880-V884 PolarHBondContact O-N 3.41Å
885	G	34.1	Very low	55.8	Low	70 Å²	70	75.4 Å²	75.4	72%	0.722	43%	0.43	S	S	*	.	S	Bend	trans	152.2	-31.5	161.5	0	0	0	0	0	116.5
886	C	34.4	Very low	56.2	Low	111 Å²	111	72.1 Å²	72.1	75%	0.75	42%	0.418	S	S	*	.	S	Bend	trans	-98.2	159.7	175.4	-66.4	0	0	0	0	110.9	G888	C886-G888 WeakPolarHBondContact CB-O 3.47Å; C886-G888 PolarHBondContact O-N 3.35Å; C886-G888 VanDerWaalsContact O-N 3.09Å
887	S	45.3	Very low	56.4	Low	141 Å²	141	73.5 Å²	73.5	99%	0.986	43%	0.425	S	S	*	.	S	Bend	trans	-69.7	3.1	174.7	45.6	0	0	0	0	114.1
888	G	53.7	Low	56.5	Low	12 Å²	12	75.4 Å²	75.4	12%	0.124	43%	0.433	C	S	.	.	S	Bend	trans	-168	168.6	166.3	0	0	0	0	0	111.6	C886 F898	C886-G888 WeakPolarHBondContact CB-O 3.47Å; C886-G888 PolarHBondContact O-N 3.35Å; C886-G888 VanDerWaalsContact O-N 3.09Å; G888-F898 CarbonylContact C-O 3.48Å; G888-F898 WeakPolarHBondContact CA-O 3.42Å
889	F	56.5	Low	56.2	Low	42 Å²	42	77.3 Å²	77.3	18%	0.184	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	102.7	-179.7	-60.1	-108.3	0	0	0	107.3	F883 F898 K900 P901 L904	F883-F889 HydrophobicContact CD1-CE1 4.45Å; F883-F889 WeakPolarHBondContact O-CE1 3.46Å; F883-F889 WeakPolarHBondContact O-CZ 3.37Å; F889-F898 HydrophobicContact CB-CB 4.36Å; F889-F898 WeakPolarHBondContact CD2-O 3.4Å; F889-F898 PolarHBondContact N-O 3.3Å; F889-F898 WeakPolarHBondContact O-CD2 3.38Å; F889-F898 PolarHBondContact O-N 3.25Å; F889-K900 VanDerWaalsContact CD2-C 3.45Å; F889-K900 VanDerWaalsContact CE2-CA 3.47Å; F889-P901 HydrophobicContact CD1-CB 3.83Å; F889-P901 HydrophobicContact CE1-CB 3.61Å; F889-P901 HydrophobicContact CE1-CG 3.88Å; F889-P901 HydrophobicContact CZ-CB 4.33Å; F889-P901 HydrophobicContact CZ-CG 4.16Å; F889-L904 HydrophobicContact CB-CB 4.13Å; F889-L904 HydrophobicContact CB-CD2 3.84Å
890	Q	61	Low	56.3	Low	112 Å²	112	79.1 Å²	79.1	52%	0.523	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.5	-175.6	-175.1	173.9	-18.7	0	0	111.5	D895 T896 V897	Q890-D895 PolarHBondContact NE2-OD1 2.04Å; Q890-T896 CarbonylContact C-O 3.57Å; Q890-T896 WeakPolarHBondContact CA-O 3.35Å; Q890-V897 HydrophobicContact CB-CG2 4.35Å; Q890-V897 HydrophobicContact CG-CG2 4.31Å
891	C	69.9	Low	56.3	Low	0 Å²	0	76.4 Å²	76.4	0%	0	45%	0.446	C	S	.	.			trans	-76.6	122.6	170.4	-173.8	0	0	0	0	110.6	L893 D895 T896 F898 L904 H907 H912	C891-L893 PolarHBondContact O-N 3.1Å; C891-L893 VanDerWaalsContact O-N 3.12Å; C891-D895 VanDerWaalsContact O-CA 3.29Å; C891-D895 WeakPolarHBondContact O-CA 3.34Å; C891-D895 PolarHBondContact O-N 2.93Å; C891-T896 WeakPolarHBondContact CB-OG1 3.13Å; C891-T896 PolarHBondContact N-O 3.07Å; C891-F898 HydrophobicContact CB-CE2 4.43Å; C891-L904 HydrophobicContact CB-CD1 3.67Å; C891-H907 WeakPolarHBondContact CB-NE2 3.4Å; C891-H907 PolarHBondContact SG-NE2 2.84Å; C891-H912 PolarHBondContact SG-NE2 3.4Å
892	Y	65.1	Low	57.1	Low	115 Å²	115	80.3 Å²	80.3	45%	0.451	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-0.5	-178.7	69.3	-96.8	0	0	0	114.5	M908 V918	Y892-M908 HydrophobicContact CD1-CE 4.32Å; Y892-M908 HydrophobicContact CE1-CE 3.4Å; Y892-M908 HydrophobicContact CE1-SD 4.36Å; Y892-V918 HydrophobicContact CE2-CG2 4.31Å
893	L	67	Low	58.3	Low	54 Å²	54	79 Å²	79	28%	0.283	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-20.5	-178.6	-65.7	169.4	0	0	0	113.7	C891 H912 E916 F929	C891-L893 PolarHBondContact O-N 3.1Å; C891-L893 VanDerWaalsContact O-N 3.12Å; L893-H912 WeakPolarHBondContact CB-CE1 3.47Å; L893-H912 WeakPolarHBondContact CB-ND1 3.33Å; L893-H912 HydrophobicContact CD1-CB 3.78Å; L893-H912 VanDerWaalsContact CD1-CG 3.48Å; L893-E916 HydrophobicContact CD1-CB 3.85Å; L893-E916 HydrophobicContact CD2-CB 4.05Å; L893-E916 HydrophobicContact CD2-CG 4.39Å; L893-F929 HydrophobicContact CD1-CE1 4.21Å
894	C	75.7	Confident	59.9	Low	55 Å²	55	74.9 Å²	74.9	37%	0.372	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-149.9	13.6	178.6	66.1	0	0	0	0	114.9	T896 H907 H912	C894-T896 PolarHBondContact O-N 3.37Å; C894-T896 VanDerWaalsContact SG-CG2 3.58Å; C894-T896 PolarHBondContact SG-OG1 3.45Å; C894-H907 PolarHBondContact SG-CE1 2.97Å; C894-H907 PolarHBondContact SG-NE2 2.83Å; C894-H912 PolarHBondContact SG-NE2 2.81Å
895	D	64.8	Low	61.6	Low	105 Å²	105	74.5 Å²	74.5	56%	0.561	43%	0.428	S	S	*	.			trans	57.2	11.6	177.6	-63	-39.5	0	0	0	116.8	Q890 C891 V897	Q890-D895 PolarHBondContact NE2-OD1 2.04Å; C891-D895 VanDerWaalsContact O-CA 3.29Å; C891-D895 WeakPolarHBondContact O-CA 3.34Å; C891-D895 PolarHBondContact O-N 2.93Å; D895-V897 PolarHBondContact O-N 3.29Å
896	T	71.2	Confident	63.7	Low	54 Å²	54	77.9 Å²	77.9	33%	0.331	43%	0.425	S	S	.	.			trans	-64.6	133.7	174.3	52.7	0	0	0	0	111.4	Q890 C891 C894 F898 H907	Q890-T896 CarbonylContact C-O 3.57Å; Q890-T896 WeakPolarHBondContact CA-O 3.35Å; C891-T896 WeakPolarHBondContact CB-OG1 3.13Å; C891-T896 PolarHBondContact N-O 3.07Å; C894-T896 PolarHBondContact O-N 3.37Å; C894-T896 VanDerWaalsContact SG-CG2 3.58Å; C894-T896 PolarHBondContact SG-OG1 3.45Å; T896-F898 VanDerWaalsContact OG1-CE2 3.25Å; T896-F898 WeakPolarHBondContact OG1-CE2 3.45Å; T896-H907 PolarHBondContact OG1-CE1 3.27Å; T896-H907 PolarHBondContact OG1-NE2 2.94Å
897	V	70.3	Confident	65.8	Low	92 Å²	92	73.4 Å²	73.4	56%	0.558	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.7	-172.7	-177.7	0	0	0	0	110.9	Q890 D895	Q890-V897 HydrophobicContact CB-CG2 4.35Å; Q890-V897 HydrophobicContact CG-CG2 4.31Å; D895-V897 PolarHBondContact O-N 3.29Å
898	F	68.7	Low	67.2	Low	45 Å²	45	66.8 Å²	66.8	20%	0.197	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	153.9	179.5	-59.6	-81.5	0	0	0	112.1	G888 F889 C891 T896 P903 L904 H907	G888-F898 CarbonylContact C-O 3.48Å; G888-F898 WeakPolarHBondContact CA-O 3.42Å; F889-F898 HydrophobicContact CB-CB 4.36Å; F889-F898 WeakPolarHBondContact CD2-O 3.4Å; F889-F898 PolarHBondContact N-O 3.3Å; F889-F898 WeakPolarHBondContact O-CD2 3.38Å; F889-F898 PolarHBondContact O-N 3.25Å; C891-F898 HydrophobicContact CB-CE2 4.43Å; T896-F898 VanDerWaalsContact OG1-CE2 3.25Å; T896-F898 WeakPolarHBondContact OG1-CE2 3.45Å; F898-P903 HydrophobicContact CB-CB 4.13Å; F898-P903 HydrophobicContact CD1-CB 3.66Å; F898-P903 HydrophobicContact CG-CB 4.11Å; F898-L904 HydrophobicContact CB-CB 4.3Å; F898-L904 HydrophobicContact CD2-CB 3.75Å; F898-L904 HydrophobicContact CD2-CD1 3.82Å; F898-L904 HydrophobicContact CD2-CG 4.39Å; F898-L904 HydrophobicContact CE2-CD1 3.99Å; F898-L904 HydrophobicContact CG-CB 4.18Å; F898-H907 HydrophobicContact CE1-CB 3.89Å; F898-H907 HydrophobicContact CE2-CB 3.81Å; F898-H907 AromaticContact CE2-CD2 3.39Å; F898-H907 WeakPolarHBondContact CE2-CD2 3.16Å; F898-H907 AromaticContact CE2-CG 3.58Å; F898-H907 HydrophobicContact CZ-CB 3.34Å; F898-H907 AromaticContact CZ-CD2 3.55Å; F898-H907 AromaticContact CZ-CG 3.23Å; F898-H907 AromaticContact CZ-ND1 3.79Å
899	C	54.7	Low	68.4	Low	107 Å²	107	70.5 Å²	70.5	72%	0.723	37%	0.366	S	S	*	.	S	Bend	trans	-86	-4.8	177.8	62.5	0	0	0	0	114.5
900	K	61.4	Low	69.4	Low	122 Å²	122	72.7 Å²	72.7	53%	0.53	39%	0.387	S	S	.	.	S	Bend	trans	-150.6	161.1	-175.9	-72.4	-177.2	-175.1	178.1	0	110.3	F889 P903	F889-K900 VanDerWaalsContact CD2-C 3.45Å; F889-K900 VanDerWaalsContact CE2-CA 3.47Å; K900-P903 HydrophobicContact CB-CG 4.05Å; K900-P903 WeakPolarHBondContact O-CD 3.15Å
901	P	56.3	Low	70.1	Confident	38 Å²	38	70.7 Å²	70.7	25%	0.247	39%	0.386	C	S	.	.	H	α-helix	trans	-76.3	-31.9	178.6	27.2	-28.6	0	0	0	113.6	F883 F889 L904 Q905	F883-P901 HydrophobicContact CD1-CB 3.75Å; F883-P901 HydrophobicContact CD1-CG 4.31Å; F883-P901 HydrophobicContact CE1-CB 3.93Å; F889-P901 HydrophobicContact CD1-CB 3.83Å; F889-P901 HydrophobicContact CE1-CB 3.61Å; F889-P901 HydrophobicContact CE1-CG 3.88Å; F889-P901 HydrophobicContact CZ-CB 4.33Å; F889-P901 HydrophobicContact CZ-CG 4.16Å; P901-L904 PolarHBondContact O-N 2.05Å; P901-Q905 PolarHBondContact O-N 2.86Å
902	Q	66.7	Low	70.4	Confident	125 Å²	125	71.5 Å²	71.5	58%	0.584	39%	0.389	S	S	*	.	H	α-helix	trans	-62.1	-45	178	-66.1	89.6	-10	0	0	113.1	L904 Q905 Q906	Q902-L904 VanDerWaalsContact C-N 3.35Å; Q902-L904 PolarHBondContact O-N 3.15Å; Q902-Q905 PolarHBondContact O-N 2.97Å; Q902-Q906 WeakPolarHBondContact O-CB 3.43Å; Q902-Q906 PolarHBondContact O-N 2.64Å
903	P	73.7	Confident	70.7	Confident	44 Å²	44	69.5 Å²	69.5	29%	0.286	39%	0.389	S	S	.	.	H	α-helix	trans	-60.3	-37.8	172.3	-26.6	36	0	0	0	114	F898 K900 Q906 H907	F898-P903 HydrophobicContact CB-CB 4.13Å; F898-P903 HydrophobicContact CD1-CB 3.66Å; F898-P903 HydrophobicContact CG-CB 4.11Å; K900-P903 HydrophobicContact CB-CG 4.05Å; K900-P903 WeakPolarHBondContact O-CD 3.15Å; P903-Q906 PolarHBondContact O-N 3.29Å; P903-H907 WeakPolarHBondContact O-CB 3.06Å; P903-H907 PolarHBondContact O-N 3.22Å
904	L	72.8	Confident	70.5	Confident	21 Å²	21	72.9 Å²	72.9	11%	0.11	40%	0.399	C	S	.	.	H	α-helix	trans	-62.3	-47.8	173	172.1	60.7	0	0	0	111.2	F889 C891 F898 P901 Q902 Q906 H907 M908	F889-L904 HydrophobicContact CB-CB 4.13Å; F889-L904 HydrophobicContact CB-CD2 3.84Å; C891-L904 HydrophobicContact CB-CD1 3.67Å; F898-L904 HydrophobicContact CB-CB 4.3Å; F898-L904 HydrophobicContact CD2-CB 3.75Å; F898-L904 HydrophobicContact CD2-CD1 3.82Å; F898-L904 HydrophobicContact CD2-CG 4.39Å; F898-L904 HydrophobicContact CE2-CD1 3.99Å; F898-L904 HydrophobicContact CG-CB 4.18Å; P901-L904 PolarHBondContact O-N 2.05Å; Q902-L904 VanDerWaalsContact C-N 3.35Å; Q902-L904 PolarHBondContact O-N 3.15Å; L904-Q906 VanDerWaalsContact C-N 3.34Å; L904-Q906 PolarHBondContact O-N 3.29Å; L904-H907 PolarHBondContact O-N 2.94Å; L904-M908 HydrophobicContact CD1-CG 3.99Å; L904-M908 HydrophobicContact CD1-SD 3.93Å; L904-M908 HydrophobicContact CG-SD 4.11Å; L904-M908 WeakPolarHBondContact O-CG 3.38Å; L904-M908 PolarHBondContact O-N 3.36Å
905	Q	71	Confident	69.9	Low	99 Å²	99	77.7 Å²	77.7	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-63.1	-40.6	178.7	-170.3	177.3	13.6	0	0	111.8	P901 Q902 M908 V909 F930	P901-Q905 PolarHBondContact O-N 2.86Å; Q902-Q905 PolarHBondContact O-N 2.97Å; Q905-M908 PolarHBondContact O-N 3.3Å; Q905-V909 WeakPolarHBondContact O-CG2 3.11Å; Q905-V909 PolarHBondContact O-N 3.07Å; Q905-V909 VanDerWaalsContact O-N 3.12Å; Q905-F930 HydrophobicContact CG-CE2 4.3Å
906	Q	76.5	Confident	69.8	Low	141 Å²	141	75.5 Å²	75.5	66%	0.659	40%	0.403	S	S	*	.	H	α-helix	trans	-64.9	-45.3	175.8	-174.2	172.9	2.4	0	0	111.4	Q902 P903 L904 V909 S910	Q902-Q906 WeakPolarHBondContact O-CB 3.43Å; Q902-Q906 PolarHBondContact O-N 2.64Å; P903-Q906 PolarHBondContact O-N 3.29Å; L904-Q906 VanDerWaalsContact C-N 3.34Å; L904-Q906 PolarHBondContact O-N 3.29Å; Q906-V909 CarbonylContact O-C 3.5Å; Q906-V909 PolarHBondContact O-N 3.39Å; Q906-V909 VanDerWaalsContact O-N 3.17Å; Q906-S910 WeakPolarHBondContact O-CB 3.16Å; Q906-S910 PolarHBondContact O-N 3.49Å; Q906-S910 PolarHBondContact O-OG 3.29Å; Q906-S910 VanDerWaalsContact O-OG 3.1Å
907	H	79.2	Confident	69.9	Low	18 Å²	18	76 Å²	76	8%	0.083	40%	0.398	C	S	.	.	H	α-helix	trans	-59.6	-45.3	174.6	160.5	70.3	0	0	0	112.3	C891 C894 T896 F898 P903 L904 V909 S910 S911 H912	C891-H907 WeakPolarHBondContact CB-NE2 3.4Å; C891-H907 PolarHBondContact SG-NE2 2.84Å; C894-H907 PolarHBondContact SG-CE1 2.97Å; C894-H907 PolarHBondContact SG-NE2 2.83Å; T896-H907 PolarHBondContact OG1-CE1 3.27Å; T896-H907 PolarHBondContact OG1-NE2 2.94Å; F898-H907 HydrophobicContact CE1-CB 3.89Å; F898-H907 HydrophobicContact CE2-CB 3.81Å; F898-H907 AromaticContact CE2-CD2 3.39Å; F898-H907 WeakPolarHBondContact CE2-CD2 3.16Å; F898-H907 AromaticContact CE2-CG 3.58Å; F898-H907 HydrophobicContact CZ-CB 3.34Å; F898-H907 AromaticContact CZ-CD2 3.55Å; F898-H907 AromaticContact CZ-CG 3.23Å; F898-H907 AromaticContact CZ-ND1 3.79Å; P903-H907 WeakPolarHBondContact O-CB 3.06Å; P903-H907 PolarHBondContact O-N 3.22Å; L904-H907 PolarHBondContact O-N 2.94Å; H907-V909 PolarHBondContact O-N 2.91Å; H907-S910 WeakPolarHBondContact CA-OG 3.06Å; H907-S910 PolarHBondContact O-N 2.89Å; H907-S910 VanDerWaalsContact O-N 3.15Å; H907-S910 PolarHBondContact O-OG 3.19Å; H907-S911 WeakPolarHBondContact CE1-CB 3.47Å; H907-S911 VanDerWaalsContact ND1-CB 3.25Å; H907-S911 WeakPolarHBondContact ND1-CB 3.46Å; H907-S911 PolarHBondContact ND1-OG 2.68Å; H907-S911 WeakPolarHBondContact O-CA 2.99Å; H907-S911 VanDerWaalsContact O-CB 3.26Å; H907-S911 WeakPolarHBondContact O-CB 3.33Å; H907-S911 PolarHBondContact O-N 3.08Å; H907-S911 PolarHBondContact O-OG 3.44Å; H907-H912 AromaticContact CE1-CD2 3.84Å; H907-H912 AromaticContact CE1-NE2 3.5Å; H907-H912 AromaticContact NE2-CD2 3.53Å; H907-H912 AromaticContact NE2-NE2 3.21Å; H907-H912 PolarHBondContact NE2-NE2 3.38Å
908	M	75.6	Confident	69.9	Low	2 Å²	2	76.3 Å²	76.3	1%	0.01	40%	0.4	C	S	.	.	H	α-helix	trans	-60.9	-34.1	175.9	-73.4	179.2	67.9	0	0	112.1	Y892 L904 Q905 F929 F930	Y892-M908 HydrophobicContact CD1-CE 4.32Å; Y892-M908 HydrophobicContact CE1-CE 3.4Å; Y892-M908 HydrophobicContact CE1-SD 4.36Å; L904-M908 HydrophobicContact CD1-CG 3.99Å; L904-M908 HydrophobicContact CD1-SD 3.93Å; L904-M908 HydrophobicContact CG-SD 4.11Å; L904-M908 WeakPolarHBondContact O-CG 3.38Å; L904-M908 PolarHBondContact O-N 3.36Å; Q905-M908 PolarHBondContact O-N 3.3Å; M908-F929 HydrophobicContact CE-CB 3.73Å; M908-F929 HydrophobicContact CE-CD1 3.69Å; M908-F929 HydrophobicContact CE-CG 3.87Å; M908-F929 WeakPolarHBondContact O-CE2 3.24Å; M908-F929 WeakPolarHBondContact O-CZ 3.44Å; M908-F930 HydrophobicContact CE-CE1 4.07Å; M908-F930 HydrophobicContact CE-CE2 4.29Å; M908-F930 HydrophobicContact CE-CZ 3.75Å; M908-F930 HydrophobicContact SD-CE1 4.01Å; M908-F930 HydrophobicContact SD-CE2 4.35Å; M908-F930 HydrophobicContact SD-CZ 3.49Å; M908-F930 WeakPolarHBondContact SD-CZ 3.4Å
909	V	78.2	Confident	69.9	Low	89 Å²	89	78.6 Å²	78.6	54%	0.539	41%	0.408	S	S	.	.	H	α-helix	trans	-78.3	-29.4	175.2	174.2	0	0	0	0	113.2	Q905 Q906 H907 F929	Q905-V909 WeakPolarHBondContact O-CG2 3.11Å; Q905-V909 PolarHBondContact O-N 3.07Å; Q905-V909 VanDerWaalsContact O-N 3.12Å; Q906-V909 CarbonylContact O-C 3.5Å; Q906-V909 PolarHBondContact O-N 3.39Å; Q906-V909 VanDerWaalsContact O-N 3.17Å; H907-V909 PolarHBondContact O-N 2.91Å; V909-F929 HydrophobicContact CG2-CE2 4.44Å
910	S	78.4	Confident	71	Confident	89 Å²	89	75.8 Å²	75.8	62%	0.622	39%	0.393	S	S	*	.	H	α-helix	trans	-96.3	-30	-175	65.5	0	0	0	0	115.5	Q906 H907	Q906-S910 WeakPolarHBondContact O-CB 3.16Å; Q906-S910 PolarHBondContact O-N 3.49Å; Q906-S910 PolarHBondContact O-OG 3.29Å; Q906-S910 VanDerWaalsContact O-OG 3.1Å; H907-S910 WeakPolarHBondContact CA-OG 3.06Å; H907-S910 PolarHBondContact O-N 2.89Å; H907-S910 VanDerWaalsContact O-N 3.15Å; H907-S910 PolarHBondContact O-OG 3.19Å
911	S	74.7	Confident	71.8	Confident	70 Å²	70	70 Å²	70	49%	0.49	37%	0.368	S	S	.	.	H	α-helix	trans	-111.8	-12.9	-169.1	-55.9	0	0	0	0	113.3	H907	H907-S911 WeakPolarHBondContact CE1-CB 3.47Å; H907-S911 VanDerWaalsContact ND1-CB 3.25Å; H907-S911 WeakPolarHBondContact ND1-CB 3.46Å; H907-S911 PolarHBondContact ND1-OG 2.68Å; H907-S911 WeakPolarHBondContact O-CA 2.99Å; H907-S911 VanDerWaalsContact O-CB 3.26Å; H907-S911 WeakPolarHBondContact O-CB 3.33Å; H907-S911 PolarHBondContact O-N 3.08Å; H907-S911 PolarHBondContact O-OG 3.44Å
912	H	77.1	Confident	72.7	Confident	17 Å²	17	76.2 Å²	76.2	8%	0.079	40%	0.398	C	S	.	.	S	Bend	trans	-118	139.5	178.6	-67.4	-72.1	0	0	0	111.7	C891 L893 C894 H907 E916 F929	C891-H912 PolarHBondContact SG-NE2 3.4Å; L893-H912 WeakPolarHBondContact CB-CE1 3.47Å; L893-H912 WeakPolarHBondContact CB-ND1 3.33Å; L893-H912 HydrophobicContact CD1-CB 3.78Å; L893-H912 VanDerWaalsContact CD1-CG 3.48Å; C894-H912 PolarHBondContact SG-NE2 2.81Å; H907-H912 AromaticContact CE1-CD2 3.84Å; H907-H912 AromaticContact CE1-NE2 3.5Å; H907-H912 AromaticContact NE2-CD2 3.53Å; H907-H912 AromaticContact NE2-NE2 3.21Å; H907-H912 PolarHBondContact NE2-NE2 3.38Å; H912-E916 IonicContact CE1-OE1 2.66Å; H912-E916 IonicContact CG-OE1 2.63Å; H912-E916 IonicContact ND1-OE1 3.73Å; H912-E916 PolarHBondContact ND1-OE1 3.49Å; H912-E916 IonicContact ND1-OE2 3.88Å; H912-F929 HydrophobicContact CB-CE1 4.03Å; H912-F929 HydrophobicContact CB-CZ 4.06Å
913	T	71.4	Confident	73.2	Confident	73 Å²	73	76.3 Å²	76.3	45%	0.448	40%	0.398	S	S	.	.			trans	-76.7	175.8	-169.5	66	0	0	0	0	112.6	E915 E916	T913-E915 PolarHBondContact O-N 3.34Å; T913-E915 PolarHBondContact OG1-N 3.4Å; T913-E916 WeakPolarHBondContact CB-OE2 3.41Å; T913-E916 PolarHBondContact N-OE2 2.87Å; T913-E916 PolarHBondContact OG1-OE2 3.27Å
914	Y	62.7	Low	73.7	Confident	125 Å²	125	76.6 Å²	76.6	49%	0.49	40%	0.4	S	S	.	.	S	Bend	trans	-63.1	-25.6	170.1	-176.9	-96.9	0	0	0	112.7	K927	Y914-K927 HydrophobicContact CD1-CD 4.42Å; Y914-K927 HydrophobicContact CE1-CD 3.95Å; Y914-K927 HydrophobicContact CE1-CG 4.46Å; Y914-K927 HydrophobicContact CE2-CB 4.43Å; Y914-K927 WeakPolarHBondContact O-CD 3.45Å
915	E	62.1	Low	73.8	Confident	155 Å²	155	81.4 Å²	81.4	72%	0.724	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-37.9	-171.3	-55.7	-162	153.3	0	0	112.1	T913 R917 K927	T913-E915 PolarHBondContact O-N 3.34Å; T913-E915 PolarHBondContact OG1-N 3.4Å; E915-R917 PolarHBondContact O-N 3.25Å; E915-K927 PolarHBondContact O-NZ 2.79Å
916	E	62.9	Low	74.2	Confident	60 Å²	60	81 Å²	81	28%	0.28	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-1.9	-177.6	-65.7	160.3	94.9	0	0	114.6	L893 H912 T913 V918	L893-E916 HydrophobicContact CD1-CB 3.85Å; L893-E916 HydrophobicContact CD2-CB 4.05Å; L893-E916 HydrophobicContact CD2-CG 4.39Å; H912-E916 IonicContact CE1-OE1 2.66Å; H912-E916 IonicContact CG-OE1 2.63Å; H912-E916 IonicContact ND1-OE1 3.73Å; H912-E916 PolarHBondContact ND1-OE1 3.49Å; H912-E916 IonicContact ND1-OE2 3.88Å; T913-E916 WeakPolarHBondContact CB-OE2 3.41Å; T913-E916 PolarHBondContact N-OE2 2.87Å; T913-E916 PolarHBondContact OG1-OE2 3.27Å; E916-V918 PolarHBondContact O-N 3.09Å
917	R	73	Confident	74.3	Confident	64 Å²	64	77.7 Å²	77.7	24%	0.242	41%	0.408	C	S	.	.			trans	-77.5	105.9	176.6	-68.9	177.4	-166.7	171.8	6.2	110.7	E915 K927 F928 F929	E915-R917 PolarHBondContact O-N 3.25Å; R917-K927 HydrophobicContact CB-CB 3.51Å; R917-K927 HydrophobicContact CB-CD 4.29Å; R917-K927 WeakPolarHBondContact CD-O 3.23Å; R917-K927 WeakPolarHBondContact O-CD 3.46Å; R917-F928 CarbonylContact C-O 3.58Å; R917-F929 HydrophobicContact CG-CD1 3.66Å; R917-F929 HydrophobicContact CG-CD2 4.03Å; R917-F929 HydrophobicContact CG-CE1 3.47Å; R917-F929 VanDerWaalsContact CG-CE1 3.47Å; R917-F929 HydrophobicContact CG-CE2 3.87Å; R917-F929 HydrophobicContact CG-CG 3.93Å; R917-F929 HydrophobicContact CG-CZ 3.58Å; R917-F929 VanDerWaalsContact NE-CZ 3.34Å
918	V	70.4	Confident	74.2	Confident	98 Å²	98	78.4 Å²	78.4	59%	0.594	41%	0.411	S	S	*	.			trans	-74.5	-31.5	-168.8	-171.3	0	0	0	0	113.1	Y892 E916 F928	Y892-V918 HydrophobicContact CE2-CG2 4.31Å; E916-V918 PolarHBondContact O-N 3.09Å; V918-F928 PolarHBondContact N-O 3.41Å
919	Y	68.4	Low	73.8	Confident	94 Å²	94	78.5 Å²	78.5	37%	0.369	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	100.1	-170.1	-63.3	-81.6	0	0	0	112	K927 F928 F929 R931	Y919-K927 CarbonylContact O-C 3.46Å; Y919-K927 WeakPolarHBondContact O-CA 3.42Å; Y919-F928 PolarHBondContact N-O 2.89Å; Y919-F928 VanDerWaalsContact N-O 3.1Å; Y919-F928 WeakPolarHBondContact O-CD2 3.34Å; Y919-F928 PolarHBondContact O-N 3.42Å; Y919-F929 VanDerWaalsContact CD2-O 3.31Å; Y919-F929 WeakPolarHBondContact CD2-O 3.47Å; Y919-F929 WeakPolarHBondContact CE2-O 3.27Å; Y919-R931 HydrophobicContact CD1-CB 4.14Å; Y919-R931 HydrophobicContact CE1-CB 3.88Å
920	A	78.3	Confident	73.5	Confident	48 Å²	48	77.5 Å²	77.5	40%	0.397	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.6	177.8	0	0	0	0	0	113.1	Q926 K927	A920-Q926 CarbonylContact C-O 3.5Å; A920-Q926 WeakPolarHBondContact CA-O 3.3Å; A920-K927 HydrophobicContact CB-CG 4.36Å
921	C	78.8	Confident	73	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.007	39%	0.393	C	S	.	.			trans	-81.2	120.7	173.8	-179.5	0	0	0	0	112.3	H923 C924 N925 Q926 F928 L934 H937	C921-H923 PolarHBondContact O-N 3.37Å; C921-H923 VanDerWaalsContact O-N 3.09Å; C921-C924 PolarHBondContact O-N 3.2Å; C921-C924 VanDerWaalsContact SG-SG 3.66Å; C921-N925 VanDerWaalsContact O-CA 3.28Å; C921-N925 WeakPolarHBondContact O-CA 3.47Å; C921-N925 PolarHBondContact O-N 2.96Å; C921-Q926 PolarHBondContact N-O 2.93Å; C921-F928 HydrophobicContact CB-CE2 4.18Å; C921-L934 VanDerWaalsContact CA-CD1 3.45Å; C921-L934 HydrophobicContact CB-CD1 3.5Å; C921-H937 VanDerWaalsContact SG-CD2 3.51Å
922	L	74.6	Confident	72.6	Confident	167 Å²	167	78.2 Å²	78.2	87%	0.874	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.7	-178.4	-67.7	163.1	0	0	0	114.7
923	H	77	Confident	72.4	Confident	128 Å²	128	80 Å²	80	59%	0.593	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-17	-177.3	-60	-79.8	0	0	0	114.2	C921 H942	C921-H923 PolarHBondContact O-N 3.37Å; C921-H923 VanDerWaalsContact O-N 3.09Å; H923-H942 HydrophobicContact CB-CB 4.49Å; H923-H942 WeakPolarHBondContact CB-CE1 3.36Å; H923-H942 VanDerWaalsContact CB-ND1 3.3Å; H923-H942 WeakPolarHBondContact CB-ND1 3.44Å; H923-H942 AromaticContact CD2-CG 3.89Å; H923-H942 AromaticContact CG-CG 3.82Å; H923-H942 AromaticContact CG-ND1 3.89Å
924	C	84.1	Confident	72.6	Confident	50 Å²	50	77.1 Å²	77.1	34%	0.338	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148	-0.3	-174.4	71.9	0	0	0	0	115.2	C921 Q926 H937	C921-C924 PolarHBondContact O-N 3.2Å; C921-C924 VanDerWaalsContact SG-SG 3.66Å; C924-Q926 PolarHBondContact O-N 3.48Å; C924-Q926 VanDerWaalsContact O-N 3.08Å; C924-H937 PolarHBondContact SG-NE2 3.5Å
925	N	75.1	Confident	72.8	Confident	121 Å²	121	73.9 Å²	73.9	65%	0.647	37%	0.369	S	S	*	.			trans	56.5	14.7	-176.8	-62.7	-44.8	0	0	0	116.6	C921 K927	C921-N925 VanDerWaalsContact O-CA 3.28Å; C921-N925 WeakPolarHBondContact O-CA 3.47Å; C921-N925 PolarHBondContact O-N 2.96Å; N925-K927 PolarHBondContact O-N 2.92Å
926	Q	79.5	Confident	73.4	Confident	92 Å²	92	67.6 Å²	67.6	43%	0.43	34%	0.342	S	S	.	.			trans	-63.9	131.3	168.6	-70.5	-174.6	5.4	0	0	110.1	A920 C921 C924 F928 H937	A920-Q926 CarbonylContact C-O 3.5Å; A920-Q926 WeakPolarHBondContact CA-O 3.3Å; C921-Q926 PolarHBondContact N-O 2.93Å; C924-Q926 PolarHBondContact O-N 3.48Å; C924-Q926 VanDerWaalsContact O-N 3.08Å; Q926-F928 HydrophobicContact CB-CE2 3.77Å; Q926-F928 HydrophobicContact CB-CZ 3.72Å; Q926-F928 VanDerWaalsContact O-CE2 3.28Å; Q926-F928 WeakPolarHBondContact O-CE2 3.02Å; Q926-H937 PolarHBondContact OE1-CE1 3.21Å; Q926-H937 PolarHBondContact OE1-ND1 2.94Å
927	K	79	Confident	73.9	Confident	70 Å²	70	65.7 Å²	65.7	30%	0.304	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.1	177.6	-66.2	179.8	154.7	-168	0	112.2	Y914 E915 R917 Y919 A920 N925	Y914-K927 HydrophobicContact CD1-CD 4.42Å; Y914-K927 HydrophobicContact CE1-CD 3.95Å; Y914-K927 HydrophobicContact CE1-CG 4.46Å; Y914-K927 HydrophobicContact CE2-CB 4.43Å; Y914-K927 WeakPolarHBondContact O-CD 3.45Å; E915-K927 PolarHBondContact O-NZ 2.79Å; R917-K927 HydrophobicContact CB-CB 3.51Å; R917-K927 HydrophobicContact CB-CD 4.29Å; R917-K927 WeakPolarHBondContact CD-O 3.23Å; R917-K927 WeakPolarHBondContact O-CD 3.46Å; Y919-K927 CarbonylContact O-C 3.46Å; Y919-K927 WeakPolarHBondContact O-CA 3.42Å; A920-K927 HydrophobicContact CB-CG 4.36Å; N925-K927 PolarHBondContact O-N 2.92Å
928	F	76.1	Confident	74.1	Confident	33 Å²	33	64.7 Å²	64.7	15%	0.145	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.1	-177.6	-59.5	-78.2	0	0	0	112	R917 V918 Y919 C921 Q926 E933 L934 H937	R917-F928 CarbonylContact C-O 3.58Å; V918-F928 PolarHBondContact N-O 3.41Å; Y919-F928 PolarHBondContact N-O 2.89Å; Y919-F928 VanDerWaalsContact N-O 3.1Å; Y919-F928 WeakPolarHBondContact O-CD2 3.34Å; Y919-F928 PolarHBondContact O-N 3.42Å; C921-F928 HydrophobicContact CB-CE2 4.18Å; Q926-F928 HydrophobicContact CB-CE2 3.77Å; Q926-F928 HydrophobicContact CB-CZ 3.72Å; Q926-F928 VanDerWaalsContact O-CE2 3.28Å; Q926-F928 WeakPolarHBondContact O-CE2 3.02Å; F928-E933 HydrophobicContact CB-CB 3.9Å; F928-E933 HydrophobicContact CD1-CB 3.71Å; F928-E933 HydrophobicContact CG-CB 4.01Å; F928-L934 HydrophobicContact CB-CB 4.34Å; F928-L934 HydrophobicContact CD2-CB 3.8Å; F928-L934 HydrophobicContact CD2-CD1 4.02Å; F928-L934 HydrophobicContact CD2-CG 4.49Å; F928-L934 HydrophobicContact CE2-CD1 4.16Å; F928-L934 HydrophobicContact CG-CB 4.25Å; F928-H937 HydrophobicContact CE1-CB 4.18Å; F928-H937 HydrophobicContact CE2-CB 3.96Å; F928-H937 AromaticContact CE2-CG 3.87Å; F928-H937 HydrophobicContact CZ-CB 3.6Å; F928-H937 AromaticContact CZ-CG 3.49Å; F928-H937 VanDerWaalsContact CZ-CG 3.49Å; F928-H937 AromaticContact CZ-ND1 3.46Å; F928-H937 WeakPolarHBondContact CZ-ND1 2.77Å
929	F	68.1	Low	74.2	Confident	5 Å²	5	64.5 Å²	64.5	2%	0.022	33%	0.329	C	S	.	.	S	Bend	trans	-83.9	-35	176.8	-76.5	-64.1	0	0	0	111.9	L893 M908 V909 H912 R917 Y919 E933	L893-F929 HydrophobicContact CD1-CE1 4.21Å; M908-F929 HydrophobicContact CE-CB 3.73Å; M908-F929 HydrophobicContact CE-CD1 3.69Å; M908-F929 HydrophobicContact CE-CG 3.87Å; M908-F929 WeakPolarHBondContact O-CE2 3.24Å; M908-F929 WeakPolarHBondContact O-CZ 3.44Å; V909-F929 HydrophobicContact CG2-CE2 4.44Å; H912-F929 HydrophobicContact CB-CE1 4.03Å; H912-F929 HydrophobicContact CB-CZ 4.06Å; R917-F929 HydrophobicContact CG-CD1 3.66Å; R917-F929 HydrophobicContact CG-CD2 4.03Å; R917-F929 HydrophobicContact CG-CE1 3.47Å; R917-F929 VanDerWaalsContact CG-CE1 3.47Å; R917-F929 HydrophobicContact CG-CE2 3.87Å; R917-F929 HydrophobicContact CG-CG 3.93Å; R917-F929 HydrophobicContact CG-CZ 3.58Å; R917-F929 VanDerWaalsContact NE-CZ 3.34Å; Y919-F929 VanDerWaalsContact CD2-O 3.31Å; Y919-F929 WeakPolarHBondContact CD2-O 3.47Å; Y919-F929 WeakPolarHBondContact CE2-O 3.27Å; F929-E933 PolarHBondContact N-OE2 3.06Å
930	F	71.2	Confident	74.5	Confident	68 Å²	68	64.8 Å²	64.8	30%	0.298	34%	0.34	S	S	.	.	S	Bend	trans	-121.1	145.6	-177.9	-51.4	-83	0	0	0	111.9	Q905 M908 A932 E933 L934	Q905-F930 HydrophobicContact CG-CE2 4.3Å; M908-F930 HydrophobicContact CE-CE1 4.07Å; M908-F930 HydrophobicContact CE-CE2 4.29Å; M908-F930 HydrophobicContact CE-CZ 3.75Å; M908-F930 HydrophobicContact SD-CE1 4.01Å; M908-F930 HydrophobicContact SD-CE2 4.35Å; M908-F930 HydrophobicContact SD-CZ 3.49Å; M908-F930 WeakPolarHBondContact SD-CZ 3.4Å; F930-A932 PolarHBondContact O-N 3.45Å; F930-E933 HydrophobicContact CB-CG 4.18Å; F930-E933 HydrophobicContact CD2-CG 4.21Å; F930-E933 PolarHBondContact N-OE2 2.91Å; F930-E933 WeakPolarHBondContact O-CB 3.11Å; F930-E933 PolarHBondContact O-N 3.09Å; F930-L934 PolarHBondContact O-N 3.36Å
931	R	68.5	Low	74.3	Confident	128 Å²	128	69.2 Å²	69.2	48%	0.483	35%	0.35	S	S	.	.	H	α-helix	trans	-56.6	-37.1	175.3	-176.6	51	156.8	142.4	-8.6	112.3	Y919 E933 L934 D935	Y919-R931 HydrophobicContact CD1-CB 4.14Å; Y919-R931 HydrophobicContact CE1-CB 3.88Å; R931-E933 VanDerWaalsContact C-N 3.3Å; R931-E933 PolarHBondContact O-N 2.81Å; R931-L934 WeakPolarHBondContact O-CB 3.16Å; R931-L934 PolarHBondContact O-N 3.22Å; R931-D935 WeakPolarHBondContact CD-OD1 3.47Å; R931-D935 IonicContact CZ-OD1 2.78Å; R931-D935 IonicContact NE-OD1 2.63Å; R931-D935 PolarHBondContact NE-OD1 3.3Å; R931-D935 IonicContact NH1-OD1 2.75Å; R931-D935 PolarHBondContact NH1-OD1 3.41Å; R931-D935 WeakPolarHBondContact O-CB 3.13Å; R931-D935 PolarHBondContact O-N 3.05Å
932	A	66.9	Low	74.1	Confident	46 Å²	46	71.4 Å²	71.4	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-64.3	-28	176.9	0	0	0	0	0	114.4	F930 S936	F930-A932 PolarHBondContact O-N 3.45Å; A932-S936 VanDerWaalsContact O-CB 3.26Å; A932-S936 WeakPolarHBondContact O-CB 3.41Å; A932-S936 PolarHBondContact O-N 3.21Å; A932-S936 PolarHBondContact O-OG 3.42Å
933	E	71.2	Confident	73.2	Confident	55 Å²	55	66.8 Å²	66.8	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-72.1	-43.8	172.5	-64.6	174.6	145.5	0	0	110.7	F928 F929 F930 R931 S936 H937	F928-E933 HydrophobicContact CB-CB 3.9Å; F928-E933 HydrophobicContact CD1-CB 3.71Å; F928-E933 HydrophobicContact CG-CB 4.01Å; F929-E933 PolarHBondContact N-OE2 3.06Å; F930-E933 HydrophobicContact CB-CG 4.18Å; F930-E933 HydrophobicContact CD2-CG 4.21Å; F930-E933 PolarHBondContact N-OE2 2.91Å; F930-E933 WeakPolarHBondContact O-CB 3.11Å; F930-E933 PolarHBondContact O-N 3.09Å; R931-E933 VanDerWaalsContact C-N 3.3Å; R931-E933 PolarHBondContact O-N 2.81Å; E933-S936 PolarHBondContact O-N 3.23Å; E933-H937 VanDerWaalsContact O-CB 3.31Å; E933-H937 WeakPolarHBondContact O-CB 3.4Å; E933-H937 PolarHBondContact O-N 3.08Å
934	L	77.2	Confident	71.7	Confident	12 Å²	12	67.2 Å²	67.2	6%	0.063	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-43.6	173.5	169.3	58.7	0	0	0	111.2	C921 F928 F930 R931 H937 T938	C921-L934 VanDerWaalsContact CA-CD1 3.45Å; C921-L934 HydrophobicContact CB-CD1 3.5Å; F928-L934 HydrophobicContact CB-CB 4.34Å; F928-L934 HydrophobicContact CD2-CB 3.8Å; F928-L934 HydrophobicContact CD2-CD1 4.02Å; F928-L934 HydrophobicContact CD2-CG 4.49Å; F928-L934 HydrophobicContact CE2-CD1 4.16Å; F928-L934 HydrophobicContact CG-CB 4.25Å; F930-L934 PolarHBondContact O-N 3.36Å; R931-L934 WeakPolarHBondContact O-CB 3.16Å; R931-L934 PolarHBondContact O-N 3.22Å; L934-H937 WeakPolarHBondContact O-CB 3.49Å; L934-H937 PolarHBondContact O-N 3.25Å; L934-T938 HydrophobicContact CD1-CG2 4.21Å; L934-T938 PolarHBondContact O-N 2.98Å; L934-T938 PolarHBondContact O-OG1 3.44Å
935	D	67	Low	69.6	Low	57 Å²	57	70.5 Å²	70.5	31%	0.305	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-48.4	179.3	-62.9	-15.8	0	0	0	110.4	R931 H937 T938 I939	R931-D935 WeakPolarHBondContact CD-OD1 3.47Å; R931-D935 IonicContact CZ-OD1 2.78Å; R931-D935 IonicContact NE-OD1 2.63Å; R931-D935 PolarHBondContact NE-OD1 3.3Å; R931-D935 IonicContact NH1-OD1 2.75Å; R931-D935 PolarHBondContact NH1-OD1 3.41Å; R931-D935 WeakPolarHBondContact O-CB 3.13Å; R931-D935 PolarHBondContact O-N 3.05Å; D935-H937 VanDerWaalsContact C-N 3.28Å; D935-H937 PolarHBondContact O-N 2.96Å; D935-T938 WeakPolarHBondContact CA-OG1 3.33Å; D935-T938 PolarHBondContact O-N 3.5Å; D935-T938 VanDerWaalsContact O-N 3.11Å; D935-T938 PolarHBondContact O-OG1 3.07Å; D935-I939 VanDerWaalsContact O-CG1 3.3Å; D935-I939 WeakPolarHBondContact O-CG1 3.28Å; D935-I939 PolarHBondContact O-N 2.91Å
936	S	73.3	Confident	67.6	Low	23 Å²	23	72.3 Å²	72.3	16%	0.161	37%	0.372	C	S	.	.	H	α-helix	trans	-55.6	-42.8	171.5	-67.8	0	0	0	0	111.9	V731 A932 E933 I939 V940	V731-S936 PolarHBondContact O-OG 3Å; V731-S936 VanDerWaalsContact O-OG 3.12Å; A932-S936 VanDerWaalsContact O-CB 3.26Å; A932-S936 WeakPolarHBondContact O-CB 3.41Å; A932-S936 PolarHBondContact O-N 3.21Å; A932-S936 PolarHBondContact O-OG 3.42Å; E933-S936 PolarHBondContact O-N 3.23Å; S936-I939 PolarHBondContact O-N 3.48Å; S936-V940 VanDerWaalsContact O-CB 3.31Å; S936-V940 WeakPolarHBondContact O-CB 3.32Å; S936-V940 VanDerWaalsContact O-CG2 3.25Å; S936-V940 WeakPolarHBondContact O-CG2 3.39Å; S936-V940 PolarHBondContact O-N 3.35Å
937	H	74.8	Confident	65.2	Low	20 Å²	20	75.6 Å²	75.6	9%	0.093	39%	0.391	C	S	.	.	H	α-helix	trans	-62.1	-45.1	175.6	176.1	97	0	0	0	111.5	C921 C924 Q926 F928 E933 L934 D935 I939 V940 K941 H942	C921-H937 VanDerWaalsContact SG-CD2 3.51Å; C924-H937 PolarHBondContact SG-NE2 3.5Å; Q926-H937 PolarHBondContact OE1-CE1 3.21Å; Q926-H937 PolarHBondContact OE1-ND1 2.94Å; F928-H937 HydrophobicContact CE1-CB 4.18Å; F928-H937 HydrophobicContact CE2-CB 3.96Å; F928-H937 AromaticContact CE2-CG 3.87Å; F928-H937 HydrophobicContact CZ-CB 3.6Å; F928-H937 AromaticContact CZ-CG 3.49Å; F928-H937 VanDerWaalsContact CZ-CG 3.49Å; F928-H937 AromaticContact CZ-ND1 3.46Å; F928-H937 WeakPolarHBondContact CZ-ND1 2.77Å; E933-H937 VanDerWaalsContact O-CB 3.31Å; E933-H937 WeakPolarHBondContact O-CB 3.4Å; E933-H937 PolarHBondContact O-N 3.08Å; L934-H937 WeakPolarHBondContact O-CB 3.49Å; L934-H937 PolarHBondContact O-N 3.25Å; D935-H937 VanDerWaalsContact C-N 3.28Å; D935-H937 PolarHBondContact O-N 2.96Å; H937-I939 VanDerWaalsContact C-N 3.33Å; H937-I939 PolarHBondContact O-N 2.98Å; H937-V940 PolarHBondContact O-N 3.14Å; H937-K941 VanDerWaalsContact O-CB 3.31Å; H937-K941 WeakPolarHBondContact O-CB 3.36Å; H937-K941 PolarHBondContact O-N 2.75Å; H937-H942 AromaticContact CD2-CD2 3.66Å; H937-H942 AromaticContact CD2-NE2 3.57Å; H937-H942 AromaticContact NE2-CD2 3.54Å; H937-H942 AromaticContact NE2-NE2 2.94Å; H937-H942 PolarHBondContact NE2-NE2 3.29Å
938	T	75.9	Confident	63	Low	42 Å²	42	78.3 Å²	78.3	26%	0.258	42%	0.416	S	S	.	.	H	α-helix	trans	-62.5	-39.2	176.6	53.1	0	0	0	0	112.8	L934 D935 V940 H942 S943	L934-T938 HydrophobicContact CD1-CG2 4.21Å; L934-T938 PolarHBondContact O-N 2.98Å; L934-T938 PolarHBondContact O-OG1 3.44Å; D935-T938 WeakPolarHBondContact CA-OG1 3.33Å; D935-T938 PolarHBondContact O-N 3.5Å; D935-T938 VanDerWaalsContact O-N 3.11Å; D935-T938 PolarHBondContact O-OG1 3.07Å; T938-V940 VanDerWaalsContact C-N 3.33Å; T938-V940 PolarHBondContact O-N 3.13Å; T938-H942 CarbonylContact O-C 3.54Å; T938-H942 WeakPolarHBondContact O-CA 3.35Å; T938-H942 PolarHBondContact O-N 2.95Å; T938-S943 PolarHBondContact O-N 2.93Å
939	I	72.4	Confident	60.9	Low	94 Å²	94	85.2 Å²	85.2	48%	0.482	45%	0.449	S	S	.	.	H	α-helix	trans	-71	-25.6	178.2	-66.2	164.5	0	0	0	112.5	V731 D935 S936 H937 S943	V731-I939 HydrophobicContact CG1-CD1 4.39Å; D935-I939 VanDerWaalsContact O-CG1 3.3Å; D935-I939 WeakPolarHBondContact O-CG1 3.28Å; D935-I939 PolarHBondContact O-N 2.91Å; S936-I939 PolarHBondContact O-N 3.48Å; H937-I939 VanDerWaalsContact C-N 3.33Å; H937-I939 PolarHBondContact O-N 2.98Å; I939-S943 WeakPolarHBondContact O-CB 3.45Å; I939-S943 PolarHBondContact O-OG 3.27Å
940	V	76.3	Confident	59.2	Low	100 Å²	100	89.3 Å²	89.3	61%	0.606	48%	0.484	S	S	*	.	H	α-helix	trans	-104.6	-17.9	-175.7	174.4	0	0	0	0	113.7	S936 H937 T938	S936-V940 VanDerWaalsContact O-CB 3.31Å; S936-V940 WeakPolarHBondContact O-CB 3.32Å; S936-V940 VanDerWaalsContact O-CG2 3.25Å; S936-V940 WeakPolarHBondContact O-CG2 3.39Å; S936-V940 PolarHBondContact O-N 3.35Å; H937-V940 PolarHBondContact O-N 3.14Å; T938-V940 VanDerWaalsContact C-N 3.33Å; T938-V940 PolarHBondContact O-N 3.13Å
941	K	73.3	Confident	57.3	Low	141 Å²	141	91.7 Å²	91.7	61%	0.613	51%	0.509	S	S	*	.	H	α-helix	trans	-120.7	-19.2	-177	-70.4	-70.6	-172.3	178.8	0	115.2	H937	H937-K941 VanDerWaalsContact O-CB 3.31Å; H937-K941 WeakPolarHBondContact O-CB 3.36Å; H937-K941 PolarHBondContact O-N 2.75Å
942	H	74.8	Confident	55.7	Low	47 Å²	47	90.4 Å²	90.4	22%	0.218	53%	0.525	C	S	.	.	S	Bend	trans	-132.1	13.6	-171.8	-54.7	-65.6	0	0	0	113.2	H923 H937 T938 D944	H923-H942 HydrophobicContact CB-CB 4.49Å; H923-H942 WeakPolarHBondContact CB-CE1 3.36Å; H923-H942 VanDerWaalsContact CB-ND1 3.3Å; H923-H942 WeakPolarHBondContact CB-ND1 3.44Å; H923-H942 AromaticContact CD2-CG 3.89Å; H923-H942 AromaticContact CG-CG 3.82Å; H923-H942 AromaticContact CG-ND1 3.89Å; H937-H942 AromaticContact CD2-CD2 3.66Å; H937-H942 AromaticContact CD2-NE2 3.57Å; H937-H942 AromaticContact NE2-CD2 3.54Å; H937-H942 AromaticContact NE2-NE2 2.94Å; H937-H942 PolarHBondContact NE2-NE2 3.29Å; T938-H942 CarbonylContact O-C 3.54Å; T938-H942 WeakPolarHBondContact O-CA 3.35Å; T938-H942 PolarHBondContact O-N 2.95Å; H942-D944 VanDerWaalsContact C-N 3.28Å; H942-D944 PolarHBondContact O-N 2.94Å
943	S	55.1	Low	54.1	Low	70 Å²	70	96.3 Å²	96.3	49%	0.49	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-23.3	178.1	48	0	0	0	0	114.4	T938 I939 V945	T938-S943 PolarHBondContact O-N 2.93Å; I939-S943 WeakPolarHBondContact O-CB 3.45Å; I939-S943 PolarHBondContact O-OG 3.27Å; S943-V945 VanDerWaalsContact C-N 3.34Å; S943-V945 PolarHBondContact O-N 3.33Å
944	D	46.6	Very low	52.2	Low	138 Å²	138	99.4 Å²	99.4	74%	0.738	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	21.1	-161.9	-52.7	-17.9	0	0	0	113	H942 E946	H942-D944 VanDerWaalsContact C-N 3.28Å; H942-D944 PolarHBondContact O-N 2.94Å; D944-E946 PolarHBondContact O-N 2.67Å
945	V	39.9	Very low	50.2	Low	118 Å²	118	107 Å²	107	72%	0.715	60%	0.598	S	S	*	*			trans	-88	90	178.3	-174.2	0	0	0	0	109.9	S943	S943-V945 VanDerWaalsContact C-N 3.34Å; S943-V945 PolarHBondContact O-N 3.33Å
946	E	32.6	Very low	48.6	Very low	159 Å²	159	110.4 Å²	110.4	74%	0.743	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-60.6	155.9	-179.1	-61.3	-167.9	121.8	0	0	114.2	D944	D944-E946 PolarHBondContact O-N 2.67Å
947	L	29	Very low	46.6	Very low	162 Å²	162	117.7 Å²	117.7	85%	0.848	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-67.1	132.5	166.6	-82.6	90.2	0	0	0	110.4	Q949	L947-Q949 PolarHBondContact O-N 2.93Å; L947-Q949 VanDerWaalsContact O-N 3.12Å
948	P	33.1	Very low	44.7	Very low	127 Å²	127	120.9 Å²	120.9	83%	0.825	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58.9	117.2	173	-25.8	35	0	0	0	112.3
949	Q	32.2	Very low	42.6	Very low	177 Å²	177	125.4 Å²	125.4	83%	0.827	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-64.5	148.5	173.8	-59.2	-179.3	8.7	0	0	111.1	L947	L947-Q949 PolarHBondContact O-N 2.93Å; L947-Q949 VanDerWaalsContact O-N 3.12Å
950	A	32.4	Very low	40.7	Very low	91 Å²	91	124.6 Å²	124.6	75%	0.752	71%	0.714	S	S	*	*			trans	-131.6	82.1	-178.1	0	0	0	0	0	112.7
951	S	30.5	Very low	38.6	Very low	119 Å²	119	127.6 Å²	127.6	83%	0.832	73%	0.726	S	S	*	*			trans	55.1	105.3	155.1	65.2	0	0	0	0	120.9
952	A	34.6	Very low	36.5	Very low	100 Å²	100	129.8 Å²	129.8	83%	0.826	74%	0.739	S	S	*	*				-149.3	102.1	124.5	0	0	0	0	0	106.5
953	K	35.1	Very low	34.4	Very low	171 Å²	171	130.7 Å²	130.7	74%	0.743	76%	0.761	S	S	*	*				94.4	130.6	59.6	-162.8	-170.1	177	-82.3	0	111.5
954	D	31.4	Very low	33.3	Very low	119 Å²	119	133.2 Å²	133.2	64%	0.636	78%	0.778	S	S	*	*			trans	82.6	144.8	170.2	-54.1	-43.6	0	0	0	119.2
955	M	34	Very low	32.4	Very low	173 Å²	173	134.7 Å²	134.7	85%	0.852	79%	0.786	S	S	*	*			trans	71.1	130.4	177.8	-44.4	-158.5	81.8	0	0	118.2
956	I	34.4	Very low	32.1	Very low	128 Å²	128	135.4 Å²	135.4	66%	0.656	79%	0.79	S	S	*	*			cis	165.1	123.6	-29.9	-95.2	160.9	0	0	0	105.3
957	E	31	Very low	32	Very low	176 Å²	176	136.4 Å²	136.4	82%	0.822	80%	0.795	S	S	*	*			trans	54.2	151.3	150.9	-65.3	-178.9	150.8	0	0	120.8
958	S	34.4	Very low	32.3	Very low	86 Å²	86	138.5 Å²	138.5	60%	0.601	80%	0.797	S	S	*	*			cis	-164.6	159	-4.5	-114.1	0	0	0	0	114
959	T	32.6	Very low	32.2	Very low	138 Å²	138	137.2 Å²	137.2	85%	0.847	79%	0.787	S	S	*	*			trans	54	135.7	146	58.4	0	0	0	0	124
960	G	31.8	Very low	32.8	Very low	77 Å²	77	135.2 Å²	135.2	79%	0.794	78%	0.782	S	S	*	*			trans	102.7	143.1	148.5	0	0	0	0	0	116.2
961	D	31.4	Very low	33.5	Very low	163 Å²	163	136.7 Å²	136.7	87%	0.872	78%	0.775	S	S	*	*			cis	-156.2	176.1	-13.4	-155.1	-5.6	0	0	0	109.9
962	E	30.7	Very low	35.1	Very low	187 Å²	187	137.7 Å²	137.7	87%	0.874	76%	0.764	S	S	*	*			trans	-72.6	160.1	-172	-57	-166.5	149	0	0	115.9
963	G	29.7	Very low	36.5	Very low	66 Å²	66	136.4 Å²	136.4	68%	0.68	74%	0.74	S	S	*	*			trans	160.4	111.1	155.8	0	0	0	0	0	120.3
964	S	32.6	Very low	38.2	Very low	123 Å²	123	131.9 Å²	131.9	86%	0.86	73%	0.73	S	S	*	*			trans	75.2	140.3	148.8	74.5	0	0	0	0	122.1
965	N	26.4	Very low	40.5	Very low	168 Å²	168	126.4 Å²	126.4	90%	0.898	70%	0.701	S	S	*	*			trans	-62.9	138.1	176.3	-79.7	-44.3	0	0	0	114.1
966	V	33.4	Very low	42.1	Very low	133 Å²	133	124.4 Å²	124.4	81%	0.806	70%	0.703	S	S	*	*			trans	-141.8	134.8	150.3	-175.6	0	0	0	0	109.3
967	E	30.8	Very low	43.6	Very low	181 Å²	181	122.6 Å²	122.6	85%	0.846	69%	0.694	S	S	*	*			trans	-65	138.1	175.5	-58.6	167	117	0	0	111.4
968	K	35.7	Very low	46	Very low	206 Å²	206	116.1 Å²	116.1	90%	0.896	67%	0.668	S	S	*	*			trans	-128.9	119.4	164.2	-86.1	-176.8	175.5	172.7	0	110.9
969	T	32.1	Very low	47.8	Very low	99 Å²	99	114.6 Å²	114.6	61%	0.607	67%	0.665	S	S	*	*			trans	-97	129.1	-171.5	45.7	0	0	0	0	111.3	M971	T969-M971 PolarHBondContact O-N 3.09Å; T969-M971 WeakPolarHBondContact OG1-CE 3.35Å
970	D	43	Very low	49.9	Very low	135 Å²	135	114 Å²	114	72%	0.722	65%	0.651	S	S	*	*			trans	-78.9	69.7	-179.1	-132.7	32.4	0	0	0	110.5	K972	D970-K972 PolarHBondContact O-N 2.9Å; D970-K972 VanDerWaalsContact OD2-CE 3.27Å; D970-K972 WeakPolarHBondContact OD2-CE 2.8Å; D970-K972 IonicContact OD2-NZ 2.67Å; D970-K972 PolarHBondContact OD2-NZ 2.81Å
971	M	47.8	Very low	51.9	Low	122 Å²	122	113.6 Å²	113.6	60%	0.601	64%	0.635	S	S	*	*			trans	-66.1	115.7	178.7	-61.6	-172	-174.5	0	0	110.5	T969 C981	T969-M971 PolarHBondContact O-N 3.09Å; T969-M971 WeakPolarHBondContact OG1-CE 3.35Å; M971-C981 HydrophobicContact CB-CB 4.38Å; M971-C981 HydrophobicContact SD-CB 3.64Å
972	K	64.2	Low	54.3	Low	141 Å²	141	107.8 Å²	107.8	61%	0.613	60%	0.602	S	S	*	*			trans	-103.1	-12.7	-168.2	-81.6	164.6	-176.2	164.6	0	115.8	D970	D970-K972 PolarHBondContact O-N 2.9Å; D970-K972 VanDerWaalsContact OD2-CE 3.27Å; D970-K972 WeakPolarHBondContact OD2-CE 2.8Å; D970-K972 IonicContact OD2-NZ 2.67Å; D970-K972 PolarHBondContact OD2-NZ 2.81Å
973	F	63.3	Low	56.3	Low	72 Å²	72	103.4 Å²	103.4	32%	0.316	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.5	132.3	-173.5	-61.5	-75.9	0	0	0	111	C981 F982 L985 L988	F973-C981 CarbonylContact O-C 3.59Å; F973-C981 VanDerWaalsContact O-CA 3.3Å; F973-C981 WeakPolarHBondContact O-CA 3.46Å; F973-F982 HydrophobicContact CB-CB 4.3Å; F973-F982 PolarHBondContact N-O 2.76Å; F973-F982 PolarHBondContact O-N 3.45Å; F973-L985 HydrophobicContact CD1-CB 4.5Å; F973-L985 HydrophobicContact CD1-CD1 4.14Å; F973-L985 HydrophobicContact CE1-CB 4.09Å; F973-L985 HydrophobicContact CE1-CD1 4.06Å; F973-L985 HydrophobicContact CE2-CB 4.37Å; F973-L985 HydrophobicContact CZ-CB 4.02Å; F973-L988 HydrophobicContact CB-CB 4.13Å; F973-L988 HydrophobicContact CB-CD2 3.9Å; F973-L988 HydrophobicContact CD1-CD2 4.22Å; F973-L988 HydrophobicContact CG-CD2 4.46Å
974	S	71.3	Confident	58.5	Low	76 Å²	76	103 Å²	103	53%	0.531	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.2	144	176.4	60.6	0	0	0	0	111.7	C976 K980	S974-C976 PolarHBondContact O-N 2.79Å; S974-K980 CarbonylContact C-O 3.51Å; S974-K980 WeakPolarHBondContact CA-O 3.43Å
975	C	79.6	Confident	60.5	Low	5 Å²	5	101.1 Å²	101.1	3%	0.034	55%	0.554	C	S	.	*			trans	-80.4	117.9	-179.8	-176.4	0	0	0	0	111.3	L977 C978 G979 K980 F982 L988 H991	C975-L977 PolarHBondContact O-N 2.8Å; C975-L977 VanDerWaalsContact O-N 3.13Å; C975-L977 PolarHBondContact SG-N 2.36Å; C975-C978 PolarHBondContact O-N 3.04Å; C975-G979 WeakPolarHBondContact O-CA 3.33Å; C975-G979 PolarHBondContact O-N 2.86Å; C975-K980 PolarHBondContact N-O 3.16Å; C975-F982 HydrophobicContact CB-CE2 4.16Å; C975-L988 HydrophobicContact CB-CD1 3.95Å; C975-H991 VanDerWaalsContact CB-CD2 3.49Å; C975-H991 WeakPolarHBondContact CB-CD2 3.44Å; C975-H991 WeakPolarHBondContact CB-NE2 2.87Å; C975-H991 PolarHBondContact SG-CD2 3.06Å; C975-H991 PolarHBondContact SG-NE2 3Å
976	C	68.5	Low	63.1	Low	131 Å²	131	97.1 Å²	97.1	89%	0.885	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.5	177.3	54.6	0	0	0	0	114.8	S974	S974-C976 PolarHBondContact O-N 2.79Å
977	L	64.5	Low	65.3	Low	90 Å²	90	92.5 Å²	92.5	47%	0.471	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-24.4	-179.9	-62.5	176	0	0	0	114.1	C975 C995	C975-L977 PolarHBondContact O-N 2.8Å; C975-L977 VanDerWaalsContact O-N 3.13Å; C975-L977 PolarHBondContact SG-N 2.36Å; L977-C995 HydrophobicContact CB-CB 4.45Å; L977-C995 VanDerWaalsContact CB-SG 3.6Å; L977-C995 HydrophobicContact CD1-CB 4.17Å
978	C	81.6	Confident	67.7	Low	40 Å²	40	85.3 Å²	85.3	27%	0.27	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144	6.3	-179.2	77.3	0	0	0	0	116.2	C975 K980 H991 L997	C975-C978 PolarHBondContact O-N 3.04Å; C978-K980 PolarHBondContact O-N 2.9Å; C978-K980 VanDerWaalsContact O-N 3.12Å; C978-H991 VanDerWaalsContact SG-CE1 3.53Å; C978-H991 PolarHBondContact SG-NE2 2.62Å; C978-L997 HydrophobicContact CB-CD1 3.75Å
979	G	72.7	Confident	69.7	Low	53 Å²	53	80.7 Å²	80.7	55%	0.546	46%	0.459	S	S	.	.			trans	74.4	-7.8	175.9	0	0	0	0	0	116.4	C975 C981	C975-G979 WeakPolarHBondContact O-CA 3.33Å; C975-G979 PolarHBondContact O-N 2.86Å; G979-C981 PolarHBondContact O-N 3.18Å
980	K	76.8	Confident	71.9	Confident	125 Å²	125	82.4 Å²	82.4	54%	0.543	46%	0.46	S	S	.	.			trans	-59.3	135.9	179	-71.8	-178.1	-179.2	-176	0	111.8	S974 C975 C978 F982	S974-K980 CarbonylContact C-O 3.51Å; S974-K980 WeakPolarHBondContact CA-O 3.43Å; C975-K980 PolarHBondContact N-O 3.16Å; C978-K980 PolarHBondContact O-N 2.9Å; C978-K980 VanDerWaalsContact O-N 3.12Å; K980-F982 HydrophobicContact CB-CE2 3.76Å; K980-F982 HydrophobicContact CB-CZ 3.85Å; K980-F982 WeakPolarHBondContact O-CD2 3.42Å; K980-F982 VanDerWaalsContact O-CE2 3.22Å; K980-F982 WeakPolarHBondContact O-CE2 3.45Å
981	C	72.9	Confident	73.9	Confident	69 Å²	69	77.6 Å²	77.6	47%	0.466	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	149.6	178.6	-64.5	0	0	0	0	112	M971 F973 G979	M971-C981 HydrophobicContact CB-CB 4.38Å; M971-C981 HydrophobicContact SD-CB 3.64Å; F973-C981 CarbonylContact O-C 3.59Å; F973-C981 VanDerWaalsContact O-CA 3.3Å; F973-C981 WeakPolarHBondContact O-CA 3.46Å; G979-C981 PolarHBondContact O-N 3.18Å
982	F	83.3	Confident	75.1	Confident	41 Å²	41	74.6 Å²	74.6	18%	0.18	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	149	-174.1	-62	-83	0	0	0	111	F973 C975 K980 L988 H991	F973-F982 HydrophobicContact CB-CB 4.3Å; F973-F982 PolarHBondContact N-O 2.76Å; F973-F982 PolarHBondContact O-N 3.45Å; C975-F982 HydrophobicContact CB-CE2 4.16Å; K980-F982 HydrophobicContact CB-CE2 3.76Å; K980-F982 HydrophobicContact CB-CZ 3.85Å; K980-F982 WeakPolarHBondContact O-CD2 3.42Å; K980-F982 VanDerWaalsContact O-CE2 3.22Å; K980-F982 WeakPolarHBondContact O-CE2 3.45Å; F982-L988 HydrophobicContact CB-CB 4.33Å; F982-L988 HydrophobicContact CD2-CB 4.15Å; F982-L988 HydrophobicContact CD2-CD1 3.95Å; F982-L988 HydrophobicContact CE2-CD1 4.23Å; F982-L988 HydrophobicContact CG-CB 4.33Å; F982-H991 HydrophobicContact CE1-CB 3.83Å; F982-H991 HydrophobicContact CE2-CB 4.05Å; F982-H991 AromaticContact CE2-CD2 3.4Å; F982-H991 WeakPolarHBondContact CE2-CD2 3.12Å; F982-H991 AromaticContact CE2-CG 3.79Å; F982-H991 HydrophobicContact CZ-CB 3.45Å; F982-H991 VanDerWaalsContact CZ-CB 3.45Å; F982-H991 AromaticContact CZ-CD2 3.36Å; F982-H991 WeakPolarHBondContact CZ-CD2 3.48Å; F982-H991 AromaticContact CZ-CG 3.26Å; F982-H991 AromaticContact CZ-ND1 3.98Å
983	S	73.1	Confident	75.4	Confident	95 Å²	95	71.9 Å²	71.9	66%	0.664	43%	0.428	S	S	*	.	S	Bend	trans	-68.8	-35	177.8	42.8	0	0	0	0	113.2
984	D	75.7	Confident	75.8	Confident	58 Å²	58	74.5 Å²	74.5	31%	0.31	45%	0.445	S	S	.	.	S	Bend	trans	-142.5	166.1	-172.5	54.8	69.8	0	0	0	112.1	T986 S987 L988	D984-T986 VanDerWaalsContact C-N 3.34Å; D984-T986 PolarHBondContact OD1-N 2.96Å; D984-S987 VanDerWaalsContact OD1-CB 3.25Å; D984-S987 WeakPolarHBondContact OD1-CB 2.97Å; D984-S987 PolarHBondContact OD1-N 3.28Å; D984-S987 PolarHBondContact OD1-OG 3.43Å; D984-S987 PolarHBondContact OD2-OG 3.31Å; D984-L988 PolarHBondContact O-N 3.47Å
985	L	73.5	Confident	75.9	Confident	83 Å²	83	71.5 Å²	71.5	44%	0.435	42%	0.424	S	S	.	.	H	α-helix	trans	-68.4	-32.7	-178.6	-177.2	60.3	0	0	0	112.1	F973 L988 Q989	F973-L985 HydrophobicContact CD1-CB 4.5Å; F973-L985 HydrophobicContact CD1-CD1 4.14Å; F973-L985 HydrophobicContact CE1-CB 4.09Å; F973-L985 HydrophobicContact CE1-CD1 4.06Å; F973-L985 HydrophobicContact CE2-CB 4.37Å; F973-L985 HydrophobicContact CZ-CB 4.02Å; L985-L988 HydrophobicContact CD1-CD2 4.36Å; L985-L988 PolarHBondContact O-N 2.58Å; L985-Q989 HydrophobicContact CD1-CG 4.38Å; L985-Q989 HydrophobicContact CG-CG 4.38Å; L985-Q989 WeakPolarHBondContact O-CB 3.19Å; L985-Q989 VanDerWaalsContact O-CG 3.3Å; L985-Q989 WeakPolarHBondContact O-CG 3.31Å; L985-Q989 PolarHBondContact O-N 2.84Å
986	T	80.7	Confident	74.9	Confident	85 Å²	85	76.9 Å²	76.9	52%	0.521	46%	0.462	S	S	.	.	H	α-helix	trans	-64.1	-44.3	-179.5	-46.1	0	0	0	0	111.2	D984 Q989 Q990	D984-T986 VanDerWaalsContact C-N 3.34Å; D984-T986 PolarHBondContact OD1-N 2.96Å; T986-Q989 PolarHBondContact O-N 3.17Å; T986-Q990 PolarHBondContact O-N 2.46Å
987	S	81	Confident	73.9	Confident	36 Å²	36	75.7 Å²	75.7	25%	0.252	45%	0.446	S	S	.	.	H	α-helix	trans	-66.6	-40.2	176.6	-57.3	0	0	0	0	111.5	D984 H991	D984-S987 VanDerWaalsContact OD1-CB 3.25Å; D984-S987 WeakPolarHBondContact OD1-CB 2.97Å; D984-S987 PolarHBondContact OD1-N 3.28Å; D984-S987 PolarHBondContact OD1-OG 3.43Å; D984-S987 PolarHBondContact OD2-OG 3.31Å; S987-H991 VanDerWaalsContact O-CB 3.24Å; S987-H991 WeakPolarHBondContact O-CB 3.2Å; S987-H991 PolarHBondContact O-N 2.38Å
988	L	80.7	Confident	72.3	Confident	29 Å²	29	76.7 Å²	76.7	15%	0.152	46%	0.46	C	S	.	.	H	α-helix	trans	-61.6	-42.8	170.8	174.3	62.3	0	0	0	111.4	F973 C975 F982 D984 L985 H991 S992	F973-L988 HydrophobicContact CB-CB 4.13Å; F973-L988 HydrophobicContact CB-CD2 3.9Å; F973-L988 HydrophobicContact CD1-CD2 4.22Å; F973-L988 HydrophobicContact CG-CD2 4.46Å; C975-L988 HydrophobicContact CB-CD1 3.95Å; F982-L988 HydrophobicContact CB-CB 4.33Å; F982-L988 HydrophobicContact CD2-CB 4.15Å; F982-L988 HydrophobicContact CD2-CD1 3.95Å; F982-L988 HydrophobicContact CE2-CD1 4.23Å; F982-L988 HydrophobicContact CG-CB 4.33Å; D984-L988 PolarHBondContact O-N 3.47Å; L985-L988 HydrophobicContact CD1-CD2 4.36Å; L985-L988 PolarHBondContact O-N 2.58Å; L988-H991 PolarHBondContact O-N 3.47Å; L988-S992 VanDerWaalsContact O-CB 3.27Å; L988-S992 WeakPolarHBondContact O-CB 3.15Å; L988-S992 PolarHBondContact O-N 2.86Å; L988-S992 PolarHBondContact O-OG 3.05Å
989	Q	76.8	Confident	70	Confident	110 Å²	110	80.4 Å²	80.4	51%	0.514	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-51.4	179.7	-78.6	174.3	-17.9	0	0	111.9	L985 T986 H991 S992 A993	L985-Q989 HydrophobicContact CD1-CG 4.38Å; L985-Q989 HydrophobicContact CG-CG 4.38Å; L985-Q989 WeakPolarHBondContact O-CB 3.19Å; L985-Q989 VanDerWaalsContact O-CG 3.3Å; L985-Q989 WeakPolarHBondContact O-CG 3.31Å; L985-Q989 PolarHBondContact O-N 2.84Å; T986-Q989 PolarHBondContact O-N 3.17Å; Q989-H991 VanDerWaalsContact C-N 3.26Å; Q989-H991 PolarHBondContact O-N 3.17Å; Q989-S992 WeakPolarHBondContact CA-OG 3.5Å; Q989-S992 PolarHBondContact O-N 3.09Å; Q989-S992 VanDerWaalsContact O-N 3.11Å; Q989-S992 PolarHBondContact O-OG 3Å; Q989-A993 PolarHBondContact O-N 2.82Å; Q989-A993 VanDerWaalsContact O-N 3.1Å
990	Q	79.2	Confident	68	Low	135 Å²	135	85.9 Å²	85.9	63%	0.631	49%	0.49	S	S	*	.	H	α-helix	trans	-57	-40	174.9	-74.8	-173.9	-9.3	0	0	112.3	T986 N994	T986-Q990 PolarHBondContact O-N 2.46Å; Q990-N994 PolarHBondContact O-ND2 3.11Å
991	H	83.8	Confident	65.9	Low	34 Å²	34	86.1 Å²	86.1	16%	0.157	51%	0.505	C	S	.	.	H	α-helix	trans	-68.1	-43.5	174.8	170.9	60.2	0	0	0	112.3	C975 C978 F982 S987 L988 Q989 A993 N994 C995	C975-H991 VanDerWaalsContact CB-CD2 3.49Å; C975-H991 WeakPolarHBondContact CB-CD2 3.44Å; C975-H991 WeakPolarHBondContact CB-NE2 2.87Å; C975-H991 PolarHBondContact SG-CD2 3.06Å; C975-H991 PolarHBondContact SG-NE2 3Å; C978-H991 VanDerWaalsContact SG-CE1 3.53Å; C978-H991 PolarHBondContact SG-NE2 2.62Å; F982-H991 HydrophobicContact CE1-CB 3.83Å; F982-H991 HydrophobicContact CE2-CB 4.05Å; F982-H991 AromaticContact CE2-CD2 3.4Å; F982-H991 WeakPolarHBondContact CE2-CD2 3.12Å; F982-H991 AromaticContact CE2-CG 3.79Å; F982-H991 HydrophobicContact CZ-CB 3.45Å; F982-H991 VanDerWaalsContact CZ-CB 3.45Å; F982-H991 AromaticContact CZ-CD2 3.36Å; F982-H991 WeakPolarHBondContact CZ-CD2 3.48Å; F982-H991 AromaticContact CZ-CG 3.26Å; F982-H991 AromaticContact CZ-ND1 3.98Å; S987-H991 VanDerWaalsContact O-CB 3.24Å; S987-H991 WeakPolarHBondContact O-CB 3.2Å; S987-H991 PolarHBondContact O-N 2.38Å; L988-H991 PolarHBondContact O-N 3.47Å; Q989-H991 VanDerWaalsContact C-N 3.26Å; Q989-H991 PolarHBondContact O-N 3.17Å; H991-A993 VanDerWaalsContact C-N 3.3Å; H991-A993 PolarHBondContact O-N 2.05Å; H991-N994 CarbonylContact O-C 3.55Å; H991-N994 PolarHBondContact O-N 3.49Å; H991-C995 WeakPolarHBondContact O-CB 3.41Å; H991-C995 PolarHBondContact O-N 2.84Å
992	S	73.3	Confident	63.9	Low	59 Å²	59	88.9 Å²	88.9	41%	0.413	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-36	-177.5	71.1	0	0	0	0	112.8	L988 Q989 N994 C995	L988-S992 VanDerWaalsContact O-CB 3.27Å; L988-S992 WeakPolarHBondContact O-CB 3.15Å; L988-S992 PolarHBondContact O-N 2.86Å; L988-S992 PolarHBondContact O-OG 3.05Å; Q989-S992 WeakPolarHBondContact CA-OG 3.5Å; Q989-S992 PolarHBondContact O-N 3.09Å; Q989-S992 VanDerWaalsContact O-N 3.11Å; Q989-S992 PolarHBondContact O-OG 3Å; S992-N994 PolarHBondContact O-N 3.45Å; S992-C995 PolarHBondContact O-N 3.36Å
993	A	70.9	Confident	61.6	Low	84 Å²	84	92.3 Å²	92.3	69%	0.694	55%	0.549	S	S	*	.	H	α-helix	trans	-63.6	-24.9	174.1	0	0	0	0	0	113.3	Q989 H991	Q989-A993 PolarHBondContact O-N 2.82Å; Q989-A993 VanDerWaalsContact O-N 3.1Å; H991-A993 VanDerWaalsContact C-N 3.3Å; H991-A993 PolarHBondContact O-N 2.05Å
994	N	72	Confident	59.8	Low	127 Å²	127	95.4 Å²	95.4	68%	0.679	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	7.4	-176.3	-67.7	-34.3	0	0	0	113.3	Q990 H991 S992 S996	Q990-N994 PolarHBondContact O-ND2 3.11Å; H991-N994 CarbonylContact O-C 3.55Å; H991-N994 PolarHBondContact O-N 3.49Å; S992-N994 PolarHBondContact O-N 3.45Å; N994-S996 PolarHBondContact O-N 2.94Å
995	C	73.7	Confident	57.8	Low	13 Å²	13	98.3 Å²	98.3	9%	0.088	58%	0.583	C	S	.	*			trans	-88.5	64.4	-170.6	-169.6	0	0	0	0	113.2	L977 H991 S992 L997	L977-C995 HydrophobicContact CB-CB 4.45Å; L977-C995 VanDerWaalsContact CB-SG 3.6Å; L977-C995 HydrophobicContact CD1-CB 4.17Å; H991-C995 WeakPolarHBondContact O-CB 3.41Å; H991-C995 PolarHBondContact O-N 2.84Å; S992-C995 PolarHBondContact O-N 3.36Å; C995-L997 PolarHBondContact O-N 3.4Å
996	S	59.1	Low	56.1	Low	118 Å²	118	100.5 Å²	100.5	83%	0.825	60%	0.602	S	S	*	*			trans	-70	20.3	-175.8	-46	0	0	0	0	116.2	N994 S998	N994-S996 PolarHBondContact O-N 2.94Å; S996-S998 PolarHBondContact O-N 2.82Å
997	L	45.7	Very low	53.9	Low	106 Å²	106	101.5 Å²	101.5	56%	0.555	61%	0.612	S	S	*	*			trans	-84	92.7	-174.2	-81.5	168.3	0	0	0	112.4	C978 C995 V999	C978-L997 HydrophobicContact CB-CD1 3.75Å; C995-L997 PolarHBondContact O-N 3.4Å; L997-V999 PolarHBondContact O-N 3.15Å
998	S	31.6	Very low	51.6	Low	110 Å²	110	106.5 Å²	106.5	77%	0.769	64%	0.636	S	S	*	*			trans	-77	103.7	164.9	-174.7	0	0	0	0	110.2	S996 K1000	S996-S998 PolarHBondContact O-N 2.82Å; S998-K1000 PolarHBondContact O-N 3.33Å
999	V	34.1	Very low	49.5	Very low	119 Å²	119	110.4 Å²	110.4	72%	0.721	66%	0.661	S	S	*	*			trans	-76.7	86.3	-179.2	-174.6	0	0	0	0	110.6	L997	L997-V999 PolarHBondContact O-N 3.15Å
1000	K	30.5	Very low	47.4	Very low	167 Å²	167	112.1 Å²	112.1	73%	0.726	67%	0.674	S	S	*	*			trans	-72.2	139.8	152.7	-74.9	-175.7	176.8	180	0	108.8	S998 T1002	S998-K1000 PolarHBondContact O-N 3.33Å; K1000-T1002 PolarHBondContact O-N 3.32Å; K1000-T1002 VanDerWaalsContact O-N 3.09Å
1001	P	31.5	Very low	45	Very low	131 Å²	131	110.7 Å²	110.7	85%	0.851	68%	0.678	S	S	*	*			trans	-71.8	102.4	170.2	29.5	-32.5	0	0	0	109.6
1002	T	32	Very low	42.5	Very low	126 Å²	126	114.7 Å²	114.7	77%	0.773	70%	0.704	S	S	*	*			trans	-89.4	121.8	171.8	47.9	0	0	0	0	110.1	K1000	K1000-T1002 PolarHBondContact O-N 3.32Å; K1000-T1002 VanDerWaalsContact O-N 3.09Å
1003	S	35.1	Very low	40.4	Very low	114 Å²	114	117.1 Å²	117.1	80%	0.797	72%	0.717	S	S	*	*			trans	-84.3	130.5	172.6	52.1	0	0	0	0	111.5	S1005	S1003-S1005 PolarHBondContact O-N 3.07Å
1004	D	35.5	Very low	38.4	Very low	160 Å²	160	120.8 Å²	120.8	86%	0.856	72%	0.724	S	S	*	*			trans	-77.2	108.3	172.1	-74	-52.6	0	0	0	112.2
1005	S	34.2	Very low	36.9	Very low	118 Å²	118	119.7 Å²	119.7	83%	0.825	72%	0.724	S	S	*	*			trans	-175.8	135.5	141	-80.5	0	0	0	0	110.4	S1003	S1003-S1005 PolarHBondContact O-N 3.07Å
1006	P	35.9	Very low	34.9	Very low	129 Å²	129	124.6 Å²	124.6	84%	0.838	75%	0.749	S	S	*	*			trans	-108.6	144.7	-168.2	38.4	-32.8	0	0	0	115.6
1007	S	36	Very low	33.6	Very low	106 Å²	106	127.1 Å²	127.1	74%	0.741	75%	0.746	S	S	*	*			trans	-169.7	131.9	143.5	56.7	0	0	0	0	112.8
1008	D	33.1	Very low	32.8	Very low	142 Å²	142	128.2 Å²	128.2	76%	0.759	76%	0.756	S	S	*	*			trans	67.4	90.3	143.9	-55.6	-15.9	0	0	0	123.1
1009	T	34.6	Very low	32.7	Very low	110 Å²	110	126.9 Å²	126.9	68%	0.675	75%	0.752	S	S	*	*				69.4	127.1	123.8	57.9	0	0	0	0	123.5
1010	N	34.3	Very low	32.7	Very low	146 Å²	146	130.7 Å²	130.7	78%	0.781	76%	0.762	S	S	*	*			trans	70.1	140.4	135.5	-62.2	-11.1	0	0	0	119.7
1011	C	27.3	Very low	32.7	Very low	106 Å²	106	131.4 Å²	131.4	72%	0.716	77%	0.768	S	S	*	*			cis	-168.7	172.9	-14	-127.8	0	0	0	0	111.9
1012	V	31.6	Very low	33	Very low	117 Å²	117	130.2 Å²	130.2	71%	0.709	76%	0.76	S	S	*	*			trans	69.6	102.9	145.1	164.3	0	0	0	0	120.1
1013	T	30.3	Very low	33	Very low	111 Å²	111	130.4 Å²	130.4	68%	0.681	77%	0.766	S	S	*	*				26	151.1	114.5	51	0	0	0	0	120.9
1014	L	29.4	Very low	32.7	Very low	160 Å²	160	134.9 Å²	134.9	84%	0.838	77%	0.771	S	S	*	*			cis	-162.7	-177.5	8.5	-107.6	161.1	0	0	0	108.3
1015	P	40.2	Very low	32.7	Very low	105 Å²	105	133.4 Å²	133.4	68%	0.682	77%	0.768	S	S	*	*			trans	-102.5	-179.3	-172.7	42.6	-38.3	0	0	0	114.2
1016	D	30.7	Very low	32.4	Very low	116 Å²	116	137.6 Å²	137.6	62%	0.62	77%	0.772	S	S	*	*				-176.9	155.1	129.7	-124	-18.2	0	0	0	115.6
1017	K	32.4	Very low	32.2	Very low	171 Å²	171	142.7 Å²	142.7	74%	0.743	77%	0.774	S	S	*	*			trans	60.9	161.3	143.1	-76	161.9	-173.8	144	0	121.3
1018	V	29.6	Very low	31.8	Very low	129 Å²	129	143.1 Å²	143.1	78%	0.782	77%	0.772	S	S	*	*			cis	-160.1	164.8	-25.5	119.9	0	0	0	0	109.2
1019	A	28.8	Very low	31.5	Very low	82 Å²	82	145.1 Å²	145.1	68%	0.678	77%	0.774	S	S	*	*			trans	9.3	147.5	162.4	0	0	0	0	0	121.7
1020	E	34.6	Very low	31.1	Very low	199 Å²	199	146.1 Å²	146.1	93%	0.93	78%	0.78	S	S	*	*				-163.1	-170.8	79.4	-105.9	-172.4	-171.4	0	0	115.9
1021	E	29.9	Very low	30.8	Very low	182 Å²	182	143.4 Å²	143.4	85%	0.85	78%	0.778	S	S	*	*			trans	-91.9	170.1	-156.5	-100.3	-146.4	123.4	0	0	117.8
1022	P	36.9	Very low	30.9	Very low	106 Å²	106	143.9 Å²	143.9	69%	0.688	78%	0.782	S	S	*	*			trans	-86.2	167.2	-173.1	35.7	-37.1	0	0	0	114.7
1023	S	33.7	Very low	31	Very low	129 Å²	129	143.1 Å²	143.1	90%	0.902	78%	0.783	S	S	*	*			trans	-150.2	151.3	170.9	-95.1	0	0	0	0	115.8
1024	K	28.8	Very low	31.1	Very low	208 Å²	208	143.5 Å²	143.5	90%	0.904	78%	0.78	S	S	*	*			trans	-89.8	137.7	-170.2	-60.6	154.8	-178.4	161.4	0	111.7
1025	V	33.6	Very low	31.4	Very low	130 Å²	130	144 Å²	144	79%	0.788	78%	0.776	S	S	*	*			trans	-134.7	105.6	156.8	-175.6	0	0	0	0	110.9
1026	K	28.2	Very low	31.2	Very low	206 Å²	206	144.6 Å²	144.6	90%	0.896	78%	0.783	S	S	*	*			trans	-86	130.2	157	-74.6	-178.1	176.4	179.7	0	108.4
1027	R	33	Very low	31.3	Very low	236 Å²	236	146.2 Å²	146.2	89%	0.891	79%	0.791	S	S	*	*			trans	-142.4	121.6	151.3	-80.1	-159.5	169.2	115.2	1.8	111.6
1028	T	27.3	Very low	31.6	Very low	115 Å²	115	145 Å²	145	71%	0.706	79%	0.793	S	S	*	*			trans	-83.4	158	161.7	43.9	0	0	0	0	110.1
1029	F	27.3	Very low	32	Very low	183 Å²	183	143 Å²	143	80%	0.803	79%	0.785	S	S	*	*				161.5	117	121.1	-97	-81.5	0	0	0	113.4
1030	V	26.2	Very low	32.4	Very low	131 Å²	131	144.5 Å²	144.5	79%	0.794	78%	0.781	S	S	*	*			trans	22.2	126.7	133.4	-171.8	0	0	0	0	119.8
1031	A	27.2	Very low	32.6	Very low	89 Å²	89	144.5 Å²	144.5	74%	0.736	77%	0.773	S	S	*	*				176.6	136.2	120.8	0	0	0	0	0	116.5
1032	S	30.3	Very low	33	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	76%	0.764	S	S	*	*			trans	54	115	138.5	-53.8	0	0	0	0	124.6
1033	S	32.2	Very low	33	Very low	102 Å²	102	146 Å²	146	71%	0.713	77%	0.772	S	S	*	*			trans	-40.8	156.7	146.1	51.2	0	0	0	0	118.5
1034	D	32.3	Very low	33.1	Very low	118 Å²	118	144.8 Å²	144.8	63%	0.631	76%	0.763	S	S	*	*				179.4	151.4	108.3	-117.9	-27.4	0	0	0	118
1035	K	35.7	Very low	33.5	Very low	170 Å²	170	139.3 Å²	139.3	74%	0.739	75%	0.751	S	S	*	*			trans	63.6	161	150.1	-68.9	153.5	-171	143.9	0	119.9
1036	S	36.2	Very low	33.7	Very low	119 Å²	119	144.4 Å²	144.4	83%	0.832	76%	0.756	S	S	*	*			cis	-152	175.9	5.2	6	0	0	0	0	113.5
1037	N	32.9	Very low	34.1	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	75%	0.752	S	S	*	*			trans	-89.1	167.4	-173	-53.6	-39.2	0	0	0	116.3
1038	D	39.5	Very low	34.5	Very low	146 Å²	146	135.8 Å²	135.8	78%	0.781	75%	0.75	S	S	*	*				175	168.6	111.2	-109.9	36.4	0	0	0	112
1039	S	38.2	Very low	35.1	Very low	86 Å²	86	133.7 Å²	133.7	60%	0.601	75%	0.751	S	S	*	*			cis	-169.4	-178.9	-35.5	54.4	0	0	0	0	111
1040	D	37.5	Very low	35.6	Very low	114 Å²	114	133 Å²	133	61%	0.61	76%	0.756	S	S	*	*			trans	66.8	149.7	165.8	-94.6	9.4	0	0	0	119.5
1041	R	37.7	Very low	36.2	Very low	198 Å²	198	130.1 Å²	130.1	75%	0.747	75%	0.753	S	S	*	*			cis	-165.7	158	-14.7	-137.1	171.7	-133.4	166.7	7.8	113.6
1042	S	37.6	Very low	36.7	Very low	96 Å²	96	133 Å²	133	67%	0.671	76%	0.755	S	S	*	*			trans	70.3	149.4	148.9	-71.1	0	0	0	0	121.8
1043	R	36.6	Very low	36.9	Very low	224 Å²	224	133.9 Å²	133.9	85%	0.845	75%	0.75	S	S	*	*			cis	-172.3	157.4	-26.7	-131.3	172.2	-176.8	171.5	1.2	112.4
1044	S	37.2	Very low	36.9	Very low	104 Å²	104	138 Å²	138	73%	0.727	76%	0.756	S	S	*	*			trans	74.2	146.8	155.5	-64.9	0	0	0	0	119.6
1045	S	37.4	Very low	36.9	Very low	92 Å²	92	137.9 Å²	137.9	64%	0.643	76%	0.759	S	S	*	*			cis	-167.1	128.1	-6.9	42.2	0	0	0	0	116.7
1046	R	37	Very low	36.8	Very low	237 Å²	237	135.3 Å²	135.3	89%	0.894	76%	0.757	S	S	*	*			trans	62.5	159.8	136.2	-51.1	178.2	-173.6	-175.2	2.3	118.5
1047	I	37.5	Very low	36.6	Very low	160 Å²	160	137.3 Å²	137.3	82%	0.821	75%	0.754	S	S	*	*			cis	-137.9	153.8	23	-69.1	171.3	0	0	0	112.2
1048	A	40.4	Very low	36.7	Very low	101 Å²	101	138.5 Å²	138.5	84%	0.835	75%	0.754	S	S	*	*			trans	-5.8	158.7	167.8	0	0	0	0	0	122.4
1049	G	39	Very low	36.5	Very low	71 Å²	71	134.4 Å²	134.4	73%	0.732	75%	0.746	S	S	*	*			cis	171.1	177.6	3.2	0	0	0	0	0	109.7
1050	N	39.3	Very low	36.4	Very low	170 Å²	170	136.6 Å²	136.6	91%	0.909	76%	0.756	S	S	*	*			cis	-162.2	135.7	4	-145.3	17.6	0	0	0	111.3
1051	G	39.2	Very low	36.2	Very low	70 Å²	70	139.3 Å²	139.3	72%	0.722	77%	0.765	S	S	*	*			trans	80.5	146.8	165.5	0	0	0	0	0	118.7
1052	N	37.5	Very low	36.3	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	77%	0.767	S	S	*	*			cis	-160.2	150	-10.4	-140.3	-6.5	0	0	0	113.4
1053	L	33.3	Very low	36.1	Very low	134 Å²	134	137 Å²	137	70%	0.702	78%	0.775	S	S	*	*			trans	61	111.3	173.4	-83.7	67.7	0	0	0	117.2
1054	K	32.9	Very low	35.9	Very low	190 Å²	190	131.2 Å²	131.2	83%	0.826	77%	0.766	S	S	*	*				90.8	129.1	74.9	-91.3	-166.6	179.9	-177.4	0	112.1
1055	V	31.9	Very low	35.8	Very low	115 Å²	115	135.4 Å²	135.4	70%	0.697	77%	0.774	S	S	*	*			cis	-145.9	151.7	9.7	-169.8	0	0	0	0	110.4
1056	T	33	Very low	35.6	Very low	115 Å²	115	136.7 Å²	136.7	71%	0.706	78%	0.782	S	S	*	*			trans	49.5	109.2	166.2	41.9	0	0	0	0	118.5
1057	Q	33.3	Very low	35.7	Very low	162 Å²	162	130.4 Å²	130.4	76%	0.757	77%	0.771	S	S	*	*				58.3	124.1	79.6	-72.5	-160.8	56.9	0	0	113.9
1058	Q	33.8	Very low	35.6	Very low	174 Å²	174	131.9 Å²	131.9	81%	0.813	77%	0.772	S	S	*	*			cis	-145.6	168.7	-3.7	-53	-169.4	5	0	0	108.7
1059	G	35.2	Very low	35	Very low	60 Å²	60	132.5 Å²	132.5	62%	0.619	77%	0.765	S	S	*	*			cis	164.6	175.2	-4.6	0	0	0	0	0	112.3
1060	T	36.8	Very low	34.5	Very low	132 Å²	132	137.8 Å²	137.8	81%	0.81	77%	0.768	S	S	*	*			trans	69.2	-166.2	172.7	76.8	0	0	0	0	118
1061	H	34.1	Very low	33.9	Very low	171 Å²	171	136.8 Å²	136.8	79%	0.792	76%	0.763	S	S	*	*				-164.2	171.4	-129	-65.9	-24.1	0	0	0	111.9
1062	P	38.9	Very low	33.4	Very low	121 Å²	121	138.7 Å²	138.7	79%	0.786	77%	0.765	S	S	*	*			cis	-141.8	151.7	-36.8	36	-19	0	0	0	115.6
1063	C	33.6	Very low	33.4	Very low	125 Å²	125	137.5 Å²	137.5	85%	0.845	77%	0.766	S	S	*	*			trans	-170.5	126.7	133.7	-167.9	0	0	0	0	111
1064	P	32.7	Very low	33.2	Very low	102 Å²	102	137.4 Å²	137.4	66%	0.662	78%	0.776	S	S	*	*			trans	-104.4	149.2	177.8	37.6	-31.3	0	0	0	113.5
1065	H	34.6	Very low	33	Very low	193 Å²	193	132 Å²	132	89%	0.894	77%	0.767	S	S	*	*			trans	179.8	105.9	138	-99.9	-68.3	0	0	0	111.8
1066	C	34.1	Very low	33.1	Very low	119 Å²	119	134.8 Å²	134.8	80%	0.804	78%	0.777	S	S	*	*			trans	-86.4	-168.6	165.4	-53.5	0	0	0	0	109.1
1067	P	38.2	Very low	33	Very low	104 Å²	104	138 Å²	138	68%	0.675	78%	0.784	S	S	*	*			cis	-146	-166.9	4.6	31.2	-4.2	0	0	0	116.9
1068	K	36.2	Very low	33.1	Very low	192 Å²	192	134.2 Å²	134.2	84%	0.835	79%	0.788	S	S	*	*			trans	96.7	145.7	155.3	-56.8	177.1	-176.4	179	0	118.6
1069	V	28.2	Very low	32.9	Very low	114 Å²	114	135.4 Å²	135.4	69%	0.691	79%	0.791	S	S	*	*			cis	179.5	169.9	-44.1	141	0	0	0	0	108.8
1070	F	27.6	Very low	32.7	Very low	182 Å²	182	140 Å²	140	80%	0.798	80%	0.8	S	S	*	*			trans	85.8	130.6	-176.8	-59.4	-78.5	0	0	0	114.4
1071	N	26.4	Very low	32.5	Very low	149 Å²	149	147.9 Å²	147.9	80%	0.797	82%	0.817	S	S	*	*			cis	68.3	141.6	39.2	-62.4	-8.1	0	0	0	112.8
1072	S	28.4	Very low	32.4	Very low	109 Å²	109	146.8 Å²	146.8	76%	0.762	82%	0.819	S	S	*	*			cis	-152.6	166.3	7.8	37.9	0	0	0	0	110.8
1073	P	37.5	Very low	32.1	Very low	125 Å²	125	148.1 Å²	148.1	81%	0.812	82%	0.82	S	S	*	*			trans	-87.7	165.5	-178.7	36.6	-36.9	0	0	0	113.6
1074	S	30.4	Very low	32	Very low	131 Å²	131	149.4 Å²	149.4	92%	0.916	82%	0.819	S	S	*	*			trans	-160.9	163.8	155	-139.8	0	0	0	0	114.5
1075	A	28.3	Very low	31.9	Very low	77 Å²	77	152.2 Å²	152.2	64%	0.636	83%	0.828	S	S	*	*			trans	-75.6	160.5	-165.2	0	0	0	0	0	116.6
1076	L	33.7	Very low	31.8	Very low	174 Å²	174	149.6 Å²	149.6	91%	0.911	82%	0.824	S	S	*	*				-160.3	145.1	105.3	-106.9	167.3	0	0	0	112.2
1077	Q	31.5	Very low	31.6	Very low	183 Å²	183	151.7 Å²	151.7	86%	0.855	83%	0.826	S	S	*	*			trans	-95.4	150.4	175.6	-71.6	140.7	-79.6	0	0	110.8
1078	G	34.8	Very low	31.1	Very low	82 Å²	82	155.1 Å²	155.1	85%	0.845	84%	0.836	S	S	*	*			trans	-165.2	85.5	174.8	0	0	0	0	0	111.1
1079	K	29.3	Very low	30.7	Very low	199 Å²	199	152.2 Å²	152.2	87%	0.865	84%	0.836	S	S	*	*			trans	-92.8	169.3	168.1	-93.9	-166.3	174.9	-170.5	0	110
1080	L	31.3	Very low	31	Very low	156 Å²	156	155.4 Å²	155.4	82%	0.817	85%	0.849	S	S	*	*			trans	85.5	125.7	175.4	-49.8	167.7	0	0	0	112.5
1081	Y	32.2	Very low	31.3	Very low	298 Å²	298	153 Å²	153	100%	1.169	85%	0.853	S	S	*	*			cis	-99.4	0	7.4	-92.7	-108.4	0	0	0	114.2

Retrieved 1,081 of 1,081 residues in 1011.1 ms (Link to these results)

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