A0A096MQI8_PAPAN Loading...

4'-phosphopantetheine phosphatase

Phosphatase which shows a preference for 4'-phosphopantetheine and its oxidatively damaged forms (sulfonate or S-sulfonate), providing strong indirect evidence that the phosphatase activity pre-empts damage in the coenzyme A (CoA) pathway. Hydrolyzing excess 4'-phosphopantetheine could constitute a directed overflow mechanism to prevent its oxidation to the S-sulfonate, sulfonate, or other forms. Hydrolyzing 4'-phosphopantetheine sulfonate or S-sulfonate would forestall their conversion to inactive forms of CoA and acyl carrier protein. May play a role in the physiological regulation of CoA intracellular levels.

AlphaFold DB (A0A2K6B8V2), UniProt , Accession A0A096MQI8, Species PAPAN (Papio anubis, Olive baboon), Gene PANK4, Length 798 aa.

						>A0A096MQI8_PAPAN|A0A096MQI8|PANK4
MRGAFSSQIYAHISPWLMSWPGTFKMAECGASGSGSSGDSLDKSITLPPDEIFRNLENAKRFAIDIGGSLTKLAYYSTVQHKVAKVRSFDHSGKDTERDHEPPYEISVQEEITARLHFIKFENTYIEACLDFIKDHLVNTETKVIQATGGGAYKFKDLIEEKLRLKVDKEDVMTCLIKGCNFVLKNIPHEAFVYQKDSDPEFRFQTNHPHIFPYLLVNIGSGVSIVKVETEDRFEWVGGSSIGGGTFWGLGALLTKTKKFDELLHLASRGQHSNVDMLVRDVYGGAHQTLGLSGNLIASSFGKSATADQEFSKEDMAKSLLHMISNDIGQLACLHARLHSLDRVYFGGFFIRGHPVTMRTITYSINFFSKGEVQALFLRHEGYLGAIGAFLKGAEQDNPNQYSWGENYAGSSGLMSTSPELGPAQRARSGTFDLLEMDRLERPLVNLPLLLDPPSYVPDTVDLTDDALARKYWLTCFEEALDGVVKRAVASQPDSVDAAERAEKFRQKYWNKLQTLRQQPFAYGTLTVRSLLDTREHCLNEFNFPDPYSKVKQRENGVALRCFPGVVRSLDTLGWEERQLALVKGLLAGNVFDWGAKAVSDVLESDPYFGFEEAKRKLQERPWLVDSYSEWLQRLKGPPHKCALIFADNSGIDIILGVFPFVRELLLRGTEVILACNSGPALNDVTHSESLIVAERIAGMDPVVHSALREERLLLVQTGSSSPCLDLSRLDKGLAALVRERGADLVVIEGMGRAVHTNYHAALCCESLKLAVIKNAWLAERLGGRLFSVIFKYEVPAE
					

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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	30.2	Very low	24.6	Very low	241 Å²	241	157.5 Å²	157.5	100%	1.187	84%	0.841	S	S	*	*				0	125.1	0	-77	179.4	-170.8	0	0	107.9
2	R	26.2	Very low	24.4	Very low	259 Å²	259	160.7 Å²	160.7	98%	0.977	85%	0.847	S	S	*	*			trans	30	133.8	149.6	-56.9	179.5	-178.1	-174.8	-0.2	118.5
3	G	25.7	Very low	24.1	Very low	72 Å²	72	160.1 Å²	160.1	74%	0.742	84%	0.842	S	S	*	*			cis	-169.6	153.7	14.2	0	0	0	0	0	110.2
4	A	27.7	Very low	24	Very low	95 Å²	95	156.5 Å²	156.5	79%	0.785	84%	0.837	S	S	*	*				78.5	101.8	99.4	0	0	0	0	0	113.7
5	F	25	Very low	24.3	Very low	217 Å²	217	152.7 Å²	152.7	95%	0.952	82%	0.824	S	S	*	*				90.2	122.2	78.4	-104.3	-75.4	0	0	0	114.5
6	S	23.9	Very low	24	Very low	103 Å²	103	159.8 Å²	159.8	72%	0.72	84%	0.836	S	S	*	*			trans	158.4	99.2	152	171.6	0	0	0	0	109.1
7	S	23.2	Very low	23.9	Very low	95 Å²	95	158.2 Å²	158.2	66%	0.664	83%	0.827	S	S	*	*				58.9	110.5	89.3	69.2	0	0	0	0	116.4
8	Q	23.3	Very low	23.8	Very low	194 Å²	194	158.6 Å²	158.6	91%	0.907	83%	0.827	S	S	*	*				167.4	131.5	112.1	-94.4	176.9	-19.3	0	0	112.6
9	I	23.1	Very low	23.6	Very low	152 Å²	152	156 Å²	156	78%	0.779	82%	0.823	S	S	*	*			trans	-102.6	141.1	171.8	-64.9	172.1	0	0	0	106.6
10	Y	21.1	Very low	23.5	Very low	224 Å²	224	160.6 Å²	160.6	88%	0.878	83%	0.829	S	S	*	*			trans	122.4	133.5	157.7	-84.3	-80.9	0	0	0	117.5
11	A	21.2	Very low	23.6	Very low	80 Å²	80	159.1 Å²	159.1	66%	0.661	83%	0.83	S	S	*	*			trans	88.1	102.2	154.6	0	0	0	0	0	119.2
12	H	22.3	Very low	23.3	Very low	196 Å²	196	151.2 Å²	151.2	91%	0.907	81%	0.81	S	S	*	*				-154.5	118.3	104.2	-97.5	-45.8	0	0	0	111.5
13	I	21	Very low	23.2	Very low	153 Å²	153	145.4 Å²	145.4	79%	0.785	80%	0.803	S	S	*	*			trans	-111.3	132.7	174.3	-76.1	173.3	0	0	0	107.3
14	S	22.4	Very low	23.1	Very low	110 Å²	110	152.3 Å²	152.3	77%	0.769	81%	0.813	S	S	*	*			trans	72	163	158	-67	0	0	0	0	119.5
15	P	28.4	Very low	23	Very low	100 Å²	100	157.3 Å²	157.3	65%	0.649	82%	0.817	S	S	*	*			cis	-133.8	151.6	-3.2	34.2	-16.3	0	0	0	114.9
16	W	19.6	Very low	23	Very low	265 Å²	265	156 Å²	156	100%	1.004	82%	0.817	S	S	*	*			trans	-154.8	120.6	134.6	-91.6	97.6	0	0	0	108.3
17	L	21.6	Very low	23.1	Very low	133 Å²	133	155.7 Å²	155.7	70%	0.696	82%	0.82	S	S	*	*			trans	-112.7	149.9	-173.8	-101.6	156.3	0	0	0	109.1
18	M	23.4	Very low	23.2	Very low	166 Å²	166	160.7 Å²	160.7	82%	0.818	83%	0.833	S	S	*	*			trans	70.3	119.2	142	-73.3	165.6	174.2	0	0	120
19	S	19.2	Very low	23.3	Very low	109 Å²	109	157.7 Å²	157.7	76%	0.762	83%	0.832	S	S	*	*				-142.8	139.8	102.7	64.4	0	0	0	0	108.7
20	W	22.2	Very low	23.4	Very low	248 Å²	248	154.2 Å²	154.2	94%	0.939	83%	0.834	S	S	*	*			trans	174.8	125.3	148.2	-98.8	52.7	0	0	0	105.3
21	P	25.1	Very low	23.7	Very low	130 Å²	130	148.3 Å²	148.3	84%	0.844	83%	0.831	S	S	*	*			trans	-94.1	140.8	-165.6	35.3	-31.1	0	0	0	112.1
22	G	22.9	Very low	24	Very low	74 Å²	74	150.6 Å²	150.6	76%	0.763	84%	0.843	S	S	*	*			trans	160.8	43.6	171.4	0	0	0	0	0	115.8
23	T	25.1	Very low	24.2	Very low	138 Å²	138	145 Å²	145	85%	0.847	84%	0.838	S	S	*	*			trans	-131.7	104.3	165.9	45.6	0	0	0	0	108.9	K25	T23-K25 PolarHBondContact O-N 2.75Å
24	F	24.4	Very low	24.5	Very low	217 Å²	217	143.7 Å²	143.7	95%	0.952	84%	0.842	S	S	*	*			trans	-77	111.4	169.8	-89.9	-89.4	0	0	0	109.3
25	K	25.1	Very low	24.7	Very low	199 Å²	199	142.2 Å²	142.2	87%	0.865	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-91.3	120.3	158	-83.1	-175	174.4	-178	0	107.6	T23	T23-K25 PolarHBondContact O-N 2.75Å
26	M	25.3	Very low	24.6	Very low	190 Å²	190	143.3 Å²	143.3	94%	0.936	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-69.2	134.9	167.6	-80.9	-137.3	-84.1	0	0	110.3
27	A	24.6	Very low	25.1	Very low	97 Å²	97	136.8 Å²	136.8	80%	0.802	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-72.4	136.7	-178.3	0	0	0	0	0	112	C29	A27-C29 PolarHBondContact O-N 3.33Å
28	E	25.7	Very low	25.3	Very low	199 Å²	199	133.6 Å²	133.6	93%	0.93	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-69.9	119.2	164.7	-74.9	177.2	150.9	0	0	109.4
29	C	25.8	Very low	25.5	Very low	132 Å²	132	134.1 Å²	134.1	89%	0.892	85%	0.854	S	S	*	*			trans	-99.9	109.2	163.9	-142.5	0	0	0	0	107.6	A27	A27-C29 PolarHBondContact O-N 3.33Å
30	G	25.7	Very low	25.8	Very low	78 Å²	78	134.1 Å²	134.1	80%	0.804	86%	0.855	S	S	*	*			trans	-68.1	130.3	175.3	0	0	0	0	0	111.7
31	A	26.1	Very low	26.1	Very low	100 Å²	100	130.2 Å²	130.2	83%	0.826	85%	0.851	S	S	*	*			trans	-142	121.7	157.6	0	0	0	0	0	108.9
32	S	28.9	Very low	26.2	Very low	129 Å²	129	130.6 Å²	130.6	90%	0.902	85%	0.846	S	S	*	*			trans	-67.1	133.1	178	46.4	0	0	0	0	112.4
33	G	25.5	Very low	26.6	Very low	78 Å²	78	137.2 Å²	137.2	80%	0.804	85%	0.854	S	S	*	*			trans	176.4	119.3	170.7	0	0	0	0	0	113.1
34	S	26.6	Very low	27	Very low	126 Å²	126	134.7 Å²	134.7	88%	0.881	84%	0.842	S	S	*	*			trans	-68.3	137	-174.4	49.1	0	0	0	0	115.9
35	G	27.9	Very low	27.6	Very low	78 Å²	78	129.5 Å²	129.5	80%	0.804	82%	0.823	S	S	*	*			trans	84	103.6	138.4	0	0	0	0	0	119.6
36	S	25.4	Very low	28.4	Very low	123 Å²	123	126.3 Å²	126.3	86%	0.86	82%	0.82	S	S	*	*				-174.1	143.1	112.4	76	0	0	0	0	109.7	G38	S36-G38 PolarHBondContact O-N 3.07Å
37	S	31.5	Very low	29.5	Very low	128 Å²	128	118.2 Å²	118.2	90%	0.895	78%	0.781	S	S	*	*			trans	-73.1	115.9	-177	45.7	0	0	0	0	112.2
38	G	24.7	Very low	30.7	Very low	67 Å²	67	116.1 Å²	116.1	69%	0.691	76%	0.759	S	S	*	*			trans	-140.4	117.6	162.1	0	0	0	0	0	108.2	S36 S40	S36-G38 PolarHBondContact O-N 3.07Å; G38-S40 PolarHBondContact O-N 2.85Å
39	D	27.9	Very low	31.9	Very low	176 Å²	176	108.8 Å²	108.8	94%	0.941	73%	0.729	S	S	*	*			trans	-56.1	105.6	178.5	-84.7	-31.3	0	0	0	110.4	L41	D39-L41 PolarHBondContact O-N 3.26Å
40	S	25.7	Very low	33.2	Very low	110 Å²	110	109.1 Å²	109.1	77%	0.769	72%	0.722	S	S	*	*			trans	-77.9	117	171.5	67.4	0	0	0	0	109.3	G38 D42	G38-S40 PolarHBondContact O-N 2.85Å; S40-D42 PolarHBondContact O-N 2.82Å
41	L	28.1	Very low	34.7	Very low	165 Å²	165	112.1 Å²	112.1	86%	0.864	72%	0.715	S	S	*	*			trans	-54.2	130.9	164.4	-84.4	144.3	0	0	0	110.1	D39 K43	D39-L41 PolarHBondContact O-N 3.26Å; L41-K43 PolarHBondContact O-N 2.85Å
42	D	26.9	Very low	36.5	Very low	139 Å²	139	108.3 Å²	108.3	74%	0.743	68%	0.68	S	S	*	*			trans	-47.2	111.9	-178.1	-147.5	-23.1	0	0	0	112.5	S40 S44	S40-D42 PolarHBondContact O-N 2.82Å; D42-S44 VanDerWaalsContact C-N 3.27Å; D42-S44 PolarHBondContact O-N 3.02Å; D42-S44 PolarHBondContact OD1-OG 3.46Å; D42-S44 VanDerWaalsContact OD1-OG 3.12Å
43	K	32	Very low	38.4	Very low	212 Å²	212	102.5 Å²	102.5	92%	0.922	64%	0.639	S	S	*	*			trans	-85.2	36.7	179.4	-77.3	-171.2	174.8	-177.2	0	113.1	L41	L41-K43 PolarHBondContact O-N 2.85Å
44	S	32.5	Very low	40.7	Very low	85 Å²	85	101.4 Å²	101.4	59%	0.594	61%	0.61	S	S	*	*			trans	-129.4	64.4	-175.9	70.6	0	0	0	0	114.2	D42	D42-S44 VanDerWaalsContact C-N 3.27Å; D42-S44 PolarHBondContact O-N 3.02Å; D42-S44 PolarHBondContact OD1-OG 3.46Å; D42-S44 VanDerWaalsContact OD1-OG 3.12Å
45	I	37	Very low	43	Very low	109 Å²	109	98.2 Å²	98.2	56%	0.559	58%	0.584	S	S	*	*			trans	-115.2	104.8	157.3	-65.2	169.5	0	0	0	107.7	L47 Y125	I45-L47 HydrophobicContact CG2-CD2 4.32Å; I45-L47 PolarHBondContact O-N 3.3Å; I45-Y125 HydrophobicContact CD1-CD1 4.45Å; I45-Y125 HydrophobicContact CD1-CE1 3.5Å
46	T	41.9	Very low	45.4	Very low	132 Å²	132	94.9 Å²	94.9	81%	0.81	55%	0.547	S	S	*	.			trans	-78.2	105.5	168.1	-44.5	0	0	0	0	107.4	P48	T46-P48 WeakPolarHBondContact O-CD 3.29Å
47	L	49	Very low	47.9	Very low	19 Å²	19	95.3 Å²	95.3	10%	0.099	54%	0.535	C	S	.	.			trans	-66.8	123.9	168.3	-63.3	172.9	0	0	0	107.6	I45 P49 F53 F132 F432	I45-L47 HydrophobicContact CG2-CD2 4.32Å; I45-L47 PolarHBondContact O-N 3.3Å; L47-P49 WeakPolarHBondContact O-CD 3.47Å; L47-P49 VanDerWaalsContact O-N 3.1Å; L47-F53 HydrophobicContact CD1-CE2 4.4Å; L47-F132 HydrophobicContact CD1-CB 4.47Å; L47-F432 HydrophobicContact CD2-CE1 4.4Å; L47-F432 HydrophobicContact CD2-CE2 3.77Å; L47-F432 HydrophobicContact CD2-CZ 3.38Å
48	P	49.9	Very low	50	Low	53 Å²	53	92.7 Å²	92.7	34%	0.344	51%	0.511	S	S	.	.			trans	-68	103.5	172.2	25	-31	0	0	0	109.1	T46 D50 E51 I52	T46-P48 WeakPolarHBondContact O-CD 3.29Å; P48-D50 PolarHBondContact O-N 3.1Å; P48-E51 HydrophobicContact CB-CB 4.22Å; P48-E51 HydrophobicContact CB-CG 4.44Å; P48-E51 HydrophobicContact CG-CB 4.41Å; P48-E51 PolarHBondContact O-N 3.34Å; P48-I52 HydrophobicContact CG-CD1 3.6Å; P48-I52 HydrophobicContact CG-CG1 4.2Å; P48-I52 PolarHBondContact O-N 3.37Å
49	P	51.6	Low	52.6	Low	46 Å²	46	89.7 Å²	89.7	30%	0.299	48%	0.48	S	S	.	.	H	α-helix	trans	-59	-47.5	-170.1	-25.7	39.3	0	0	0	111.6	L47 E51 F53 F132	L47-P49 WeakPolarHBondContact O-CD 3.47Å; L47-P49 VanDerWaalsContact O-N 3.1Å; P49-E51 VanDerWaalsContact C-N 3.34Å; P49-E51 PolarHBondContact O-N 3.36Å; P49-F53 CarbonylContact O-C 3.55Å; P49-F53 PolarHBondContact O-N 2.88Å; P49-F132 HydrophobicContact CB-CE2 3.55Å; P49-F132 HydrophobicContact CB-CZ 3.52Å; P49-F132 HydrophobicContact CG-CE2 3.78Å; P49-F132 HydrophobicContact CG-CZ 4.27Å
50	D	52.4	Low	54.9	Low	139 Å²	139	86.6 Å²	86.6	74%	0.743	46%	0.459	S	S	*	.	H	α-helix	trans	-78.2	-17.6	-169.7	-54.7	-36.6	0	0	0	113.4	P48	P48-D50 PolarHBondContact O-N 3.1Å
51	E	58	Low	57.5	Low	141 Å²	141	83.6 Å²	83.6	66%	0.659	43%	0.43	S	S	*	.	H	α-helix	trans	-89.6	-37.8	178.2	-68	-171.4	169.3	0	0	112.1	P48 P49 R54	P48-E51 HydrophobicContact CB-CB 4.22Å; P48-E51 HydrophobicContact CB-CG 4.44Å; P48-E51 HydrophobicContact CG-CB 4.41Å; P48-E51 PolarHBondContact O-N 3.34Å; P49-E51 VanDerWaalsContact C-N 3.34Å; P49-E51 PolarHBondContact O-N 3.36Å; E51-R54 PolarHBondContact O-NE 2.85Å
52	I	62.8	Low	60.3	Low	20 Å²	20	75.8 Å²	75.8	10%	0.103	39%	0.39	C	S	.	.	H	α-helix	trans	-100.3	-44.6	-171.4	-61.1	161.6	0	0	0	112.2	P48 I119 F432	P48-I52 HydrophobicContact CG-CD1 3.6Å; P48-I52 HydrophobicContact CG-CG1 4.2Å; P48-I52 PolarHBondContact O-N 3.37Å; I52-I119 HydrophobicContact CG2-CD1 4.14Å; I52-I119 HydrophobicContact CG2-CG2 3.98Å; I52-I119 WeakPolarHBondContact O-CD1 3.44Å; I52-F432 HydrophobicContact CD1-CB 4.42Å; I52-F432 HydrophobicContact CD1-CD1 4.39Å; I52-F432 HydrophobicContact CD1-CD2 3.3Å; I52-F432 HydrophobicContact CD1-CE2 3.57Å; I52-F432 HydrophobicContact CD1-CG 3.78Å; I52-F432 HydrophobicContact CD1-CZ 4.25Å; I52-F432 HydrophobicContact CG1-CB 4.3Å; I52-F432 HydrophobicContact CG1-CD2 4.1Å; I52-F432 HydrophobicContact CG1-CG 4.14Å; I52-F432 HydrophobicContact CG2-CB 4.15Å; I52-F432 HydrophobicContact CG2-CD1 3.75Å; I52-F432 HydrophobicContact CG2-CD2 4.49Å; I52-F432 HydrophobicContact CG2-CE1 4.32Å; I52-F432 HydrophobicContact CG2-CG 3.86Å
53	F	68.3	Low	63.3	Low	7 Å²	7	69.2 Å²	69.2	3%	0.031	35%	0.354	C	S	.	.	S	Bend	trans	-109	60.8	-174.2	-67.1	-82.2	0	0	0	111.2	L47 P49 L56 L73 I119 C129 F132	L47-F53 HydrophobicContact CD1-CE2 4.4Å; P49-F53 CarbonylContact O-C 3.55Å; P49-F53 PolarHBondContact O-N 2.88Å; F53-L56 HydrophobicContact CB-CB 4.28Å; F53-L56 HydrophobicContact CB-CD2 4.03Å; F53-L56 HydrophobicContact CD1-CD2 4.33Å; F53-L56 HydrophobicContact CG-CD2 4.39Å; F53-L56 WeakPolarHBondContact O-CB 3.27Å; F53-L73 HydrophobicContact CD1-CD2 4.36Å; F53-L73 HydrophobicContact CE1-CD2 3.79Å; F53-I119 HydrophobicContact CD1-CD1 3.32Å; F53-I119 HydrophobicContact CE1-CD1 3.45Å; F53-I119 VanDerWaalsContact CE1-CD1 3.45Å; F53-I119 HydrophobicContact CG-CD1 4.03Å; F53-I119 HydrophobicContact CZ-CD1 4.25Å; F53-C129 HydrophobicContact CZ-CB 4.49Å; F53-F132 HydrophobicContact CB-CD1 4.27Å; F53-F132 HydrophobicContact CB-CE1 3.38Å; F53-F132 HydrophobicContact CB-CZ 4.05Å; F53-F132 HydrophobicContact CD1-CD1 4.28Å; F53-F132 HydrophobicContact CD1-CE1 4.2Å; F53-F132 AromaticContact CD2-CD1 3.59Å; F53-F132 HydrophobicContact CD2-CD1 3.59Å; F53-F132 AromaticContact CD2-CE1 3.39Å; F53-F132 HydrophobicContact CD2-CE1 3.39Å; F53-F132 HydrophobicContact CD2-CG 4.44Å; F53-F132 HydrophobicContact CD2-CZ 4.08Å; F53-F132 AromaticContact CE2-CD1 3.93Å; F53-F132 HydrophobicContact CE2-CD1 3.93Å; F53-F132 HydrophobicContact CE2-CE1 4.19Å; F53-F132 AromaticContact CG-CD1 3.8Å; F53-F132 HydrophobicContact CG-CD1 3.8Å; F53-F132 AromaticContact CG-CE1 3.4Å; F53-F132 HydrophobicContact CG-CE1 3.4Å; F53-F132 HydrophobicContact CG-CZ 4.31Å; F53-F132 HydrophobicContact CZ-CD1 4.4Å
54	R	73.8	Confident	66.2	Low	54 Å²	54	59.2 Å²	59.2	20%	0.204	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	137.5	-177.3	-66.1	163.8	167.3	-119	-28.2	111.4	E51 L56 Y75 E436 K508 E541	E51-R54 PolarHBondContact O-NE 2.85Å; R54-L56 PolarHBondContact O-N 3.14Å; R54-L56 VanDerWaalsContact O-N 3.12Å; R54-Y75 PolarHBondContact N-OH 3.24Å; R54-Y75 WeakPolarHBondContact O-CE2 3.44Å; R54-Y75 PolarHBondContact O-OH 2.9Å; R54-E436 WeakPolarHBondContact CD-OE1 3.4Å; R54-K508 VanDerWaalsContact NH1-NZ 3.19Å; R54-E541 IonicContact CZ-OE1 3.28Å; R54-E541 IonicContact NH1-OE1 3.2Å; R54-E541 PolarHBondContact NH1-OE1 2.81Å; R54-E541 IonicContact NH2-OE1 3.18Å
55	N	76.8	Confident	69	Low	60 Å²	60	56.2 Å²	56.2	32%	0.321	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	24.1	176.4	-53.8	-56.9	0	0	0	114.6	E57 N58 A59 S77 V79	N55-E57 VanDerWaalsContact C-N 3.28Å; N55-E57 PolarHBondContact O-N 2.72Å; N55-N58 PolarHBondContact O-N 3.36Å; N55-N58 VanDerWaalsContact O-N 3.11Å; N55-A59 PolarHBondContact O-N 3.29Å; N55-S77 WeakPolarHBondContact CB-OG 3.22Å; N55-S77 WeakPolarHBondContact O-CB 3.48Å; N55-V79 HydrophobicContact CB-CG2 4.43Å; N55-V79 WeakPolarHBondContact ND2-CG2 3.3Å
56	L	78	Confident	71.5	Confident	7 Å²	7	51 Å²	51	4%	0.037	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-64.2	-32.1	-176.4	-171.4	67.6	0	0	0	112.8	F53 R54 N58 A59 F62 Y75 F132 I133 H136	F53-L56 HydrophobicContact CB-CB 4.28Å; F53-L56 HydrophobicContact CB-CD2 4.03Å; F53-L56 HydrophobicContact CD1-CD2 4.33Å; F53-L56 HydrophobicContact CG-CD2 4.39Å; F53-L56 WeakPolarHBondContact O-CB 3.27Å; R54-L56 PolarHBondContact O-N 3.14Å; R54-L56 VanDerWaalsContact O-N 3.12Å; L56-N58 PolarHBondContact O-N 3.08Å; L56-A59 HydrophobicContact CD1-CB 4.01Å; L56-A59 WeakPolarHBondContact O-CB 3.4Å; L56-A59 PolarHBondContact O-N 3Å; L56-F62 HydrophobicContact CD1-CE1 3.55Å; L56-F62 HydrophobicContact CD1-CZ 3.67Å; L56-Y75 HydrophobicContact CD1-CD1 4.47Å; L56-Y75 HydrophobicContact CD1-CD2 4.13Å; L56-Y75 HydrophobicContact CD1-CE1 4.42Å; L56-Y75 HydrophobicContact CD1-CE2 4.08Å; L56-Y75 HydrophobicContact CD1-CG 4.33Å; L56-F132 HydrophobicContact CD2-CD1 3.84Å; L56-F132 HydrophobicContact CD2-CE1 3.43Å; L56-F132 VanDerWaalsContact CD2-CE1 3.43Å; L56-F132 HydrophobicContact CD2-CZ 4.48Å; L56-I133 HydrophobicContact CD2-CG1 4.45Å; L56-H136 HydrophobicContact CD2-CB 3.74Å; L56-H136 HydrophobicContact CG-CB 4.18Å
57	E	76.3	Confident	73.5	Confident	132 Å²	132	45.8 Å²	45.8	62%	0.617	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-59	-28.4	175.3	-62.8	-177.1	169.3	0	0	112.8	N55	N55-E57 VanDerWaalsContact C-N 3.28Å; N55-E57 PolarHBondContact O-N 2.72Å
58	N	76.4	Confident	74.6	Confident	73 Å²	73	47.9 Å²	47.9	39%	0.39	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-98	10	177.3	-67	-42.4	0	0	0	112.5	N55 L56 K60 T78	N55-N58 PolarHBondContact O-N 3.36Å; N55-N58 VanDerWaalsContact O-N 3.11Å; L56-N58 PolarHBondContact O-N 3.08Å; N58-K60 PolarHBondContact O-N 3.46Å; N58-T78 WeakPolarHBondContact CB-O 3.41Å; N58-T78 PolarHBondContact O-N 3.42Å
59	A	79.8	Confident	75.6	Confident	5 Å²	5	47.8 Å²	47.8	4%	0.041	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	124.5	-178.5	0	0	0	0	0	110.6	N55 L56 F62 Y75 Y76 T140	N55-A59 PolarHBondContact O-N 3.29Å; L56-A59 HydrophobicContact CD1-CB 4.01Å; L56-A59 WeakPolarHBondContact O-CB 3.4Å; L56-A59 PolarHBondContact O-N 3Å; A59-F62 HydrophobicContact CB-CE1 4.15Å; A59-F62 HydrophobicContact CB-CE2 3.81Å; A59-F62 HydrophobicContact CB-CZ 3.38Å; A59-Y75 HydrophobicContact CB-CD2 3.75Å; A59-Y75 HydrophobicContact CB-CE2 4.45Å; A59-Y75 HydrophobicContact CB-CG 4.48Å; A59-Y76 CarbonylContact C-O 3.52Å; A59-Y76 VanDerWaalsContact CA-O 3.24Å; A59-Y76 WeakPolarHBondContact CA-O 3.44Å; A59-T140 WeakPolarHBondContact O-CG2 3.45Å
60	K	75.7	Confident	76.9	Confident	111 Å²	111	46.4 Å²	46.4	48%	0.483	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-30.8	-176.7	-54.4	-167.4	-179.5	-176.7	0	112.4	N58 Y76 T142	N58-K60 PolarHBondContact O-N 3.46Å; K60-Y76 HydrophobicContact CB-CD1 4.03Å; K60-Y76 HydrophobicContact CB-CE1 4.47Å; K60-Y76 HydrophobicContact CD-CD1 4.48Å; K60-Y76 HydrophobicContact CD-CE1 4.1Å; K60-Y76 HydrophobicContact CG-CD1 4.28Å; K60-Y76 HydrophobicContact CG-CE1 4.37Å; K60-Y76 PolarHBondContact N-O 2.9Å; K60-T142 PolarHBondContact O-OG1 3.36Å
61	R	81	Confident	78.5	Confident	46 Å²	46	39.8 Å²	39.8	17%	0.174	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	144.6	-174.4	-173.7	177.8	-67.9	141.9	-3	110.5	Y75 Y76 F390 G393 D397	R61-Y75 CarbonylContact O-C 3.48Å; R61-Y75 WeakPolarHBondContact O-CA 3.39Å; R61-Y75 WeakPolarHBondContact O-CB 3.41Å; R61-Y76 PolarHBondContact O-N 3.24Å; R61-F390 HydrophobicContact CB-CE2 4.19Å; R61-F390 HydrophobicContact CG-CE2 4.16Å; R61-G393 PolarHBondContact NE-O 3.24Å; R61-D397 IonicContact CZ-OD2 2.81Å; R61-D397 IonicContact NH1-OD2 3.63Å; R61-D397 PolarHBondContact NH1-OD2 2.65Å; R61-D397 IonicContact NH2-OD2 2.82Å; R61-D397 PolarHBondContact NH2-OD2 3.03Å
62	F	85.9	Confident	80	Confident	2 Å²	2	33.8 Å²	33.8	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	144.2	-179.9	-66.4	-91.1	0	0	0	109.9	L56 A59 L73 A74 Y75 I133 L137 T140 I145 Q146	L56-F62 HydrophobicContact CD1-CE1 3.55Å; L56-F62 HydrophobicContact CD1-CZ 3.67Å; A59-F62 HydrophobicContact CB-CE1 4.15Å; A59-F62 HydrophobicContact CB-CE2 3.81Å; A59-F62 HydrophobicContact CB-CZ 3.38Å; F62-L73 HydrophobicContact CD1-CD1 4.17Å; F62-A74 CarbonylContact C-O 3.49Å; F62-A74 WeakPolarHBondContact CA-O 3.32Å; F62-Y75 HydrophobicContact CD1-CG 4.39Å; F62-Y75 HydrophobicContact CE1-CG 4.07Å; F62-I133 HydrophobicContact CD1-CG2 4.48Å; F62-I133 HydrophobicContact CE1-CG2 4Å; F62-I133 HydrophobicContact CZ-CG2 4.17Å; F62-L137 HydrophobicContact CD2-CD2 4.2Å; F62-L137 HydrophobicContact CE2-CD2 3.42Å; F62-L137 VanDerWaalsContact CE2-CD2 3.42Å; F62-L137 HydrophobicContact CE2-CG 4.11Å; F62-L137 HydrophobicContact CZ-CD2 3.99Å; F62-L137 HydrophobicContact CZ-CG 4.23Å; F62-T140 HydrophobicContact CE2-CG2 4.42Å; F62-I145 HydrophobicContact CB-CD1 3.95Å; F62-I145 HydrophobicContact CB-CG1 4.06Å; F62-Q146 PolarHBondContact O-OE1 2.82Å
63	A	90.9	Very high	81.3	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	153.1	163.7	0	0	0	0	0	109.8	A74 Q146 A389 F390	A63-A74 HydrophobicContact CB-CB 4.33Å; A63-A74 PolarHBondContact N-O 3.49Å; A63-A74 PolarHBondContact O-N 3.2Å; A63-A74 VanDerWaalsContact O-O 3.1Å; A63-Q146 CarbonylContact C-O 3.55Å; A63-Q146 WeakPolarHBondContact CA-O 3.49Å; A63-Q146 HydrophobicContact CB-CB 4.08Å; A63-A389 HydrophobicContact CB-CB 3.89Å; A63-F390 HydrophobicContact CB-CB 3.84Å; A63-F390 VanDerWaalsContact CB-N 3.3Å
64	I	91.6	Very high	82.4	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.8	-174.9	-160.6	169.9	0	0	0	110.7	I66 T71 K72 I145 Q146 A147 T148	I64-I66 HydrophobicContact CD1-CD1 4.05Å; I64-I66 HydrophobicContact CD1-CG1 4.03Å; I64-I66 HydrophobicContact CG1-CD1 4.29Å; I64-I66 HydrophobicContact CG1-CG1 3.81Å; I64-I66 HydrophobicContact CG2-CD1 4.25Å; I64-I66 HydrophobicContact CG2-CG1 4.3Å; I64-T71 HydrophobicContact CD1-CG2 3.62Å; I64-T71 HydrophobicContact CG1-CG2 3.59Å; I64-K72 CarbonylContact C-O 3.51Å; I64-K72 WeakPolarHBondContact CA-O 3.3Å; I64-K72 WeakPolarHBondContact CG1-O 3.25Å; I64-I145 HydrophobicContact CB-CD1 4.43Å; I64-I145 HydrophobicContact CG2-CD1 4.21Å; I64-I145 HydrophobicContact CG2-CG1 4.43Å; I64-Q146 PolarHBondContact N-O 3.37Å; I64-A147 HydrophobicContact CG2-CB 3.63Å; I64-A147 CarbonylContact O-C 3.55Å; I64-A147 VanDerWaalsContact O-CA 3.26Å; I64-A147 WeakPolarHBondContact O-CA 3.16Å; I64-T148 PolarHBondContact O-N 2.91Å
65	D	92.1	Very high	83	Confident	22 Å²	22	30.1 Å²	30.1	12%	0.118	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.7	168.8	171.3	24.4	0	0	0	108.6	T71 K72 T148 A386	D65-T71 CarbonylContact O-C 3.57Å; D65-T71 WeakPolarHBondContact O-CA 3.32Å; D65-K72 HydrophobicContact CB-CB 4.43Å; D65-K72 HydrophobicContact CB-CD 4.48Å; D65-K72 PolarHBondContact N-O 2.79Å; D65-K72 PolarHBondContact O-N 3.02Å; D65-T148 HydrophobicContact CB-CG2 3.72Å; D65-A386 HydrophobicContact CB-CB 3.98Å
66	I	89.1	Confident	83.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	99.8	-177.1	-46.5	171.1	0	0	0	108.9	I64 T71 I126 T148 G149 G150 G151 F155 I159	I64-I66 HydrophobicContact CD1-CD1 4.05Å; I64-I66 HydrophobicContact CD1-CG1 4.03Å; I64-I66 HydrophobicContact CG1-CD1 4.29Å; I64-I66 HydrophobicContact CG1-CG1 3.81Å; I64-I66 HydrophobicContact CG2-CD1 4.25Å; I64-I66 HydrophobicContact CG2-CG1 4.3Å; I66-T71 HydrophobicContact CG1-CG2 4.25Å; I66-I126 HydrophobicContact CD1-CD1 3.89Å; I66-I126 HydrophobicContact CG1-CD1 4.39Å; I66-I126 HydrophobicContact CG2-CD1 4.33Å; I66-T148 PolarHBondContact N-O 3.37Å; I66-G149 CarbonylContact O-C 3.49Å; I66-G150 PolarHBondContact O-N 3.35Å; I66-G151 WeakPolarHBondContact O-CA 3.35Å; I66-G151 PolarHBondContact O-N 3.35Å; I66-F155 HydrophobicContact CD1-CB 4.06Å; I66-F155 HydrophobicContact CD1-CD2 4.39Å; I66-F155 HydrophobicContact CG2-CD2 3.7Å; I66-F155 HydrophobicContact CG2-CE2 3.89Å; I66-I159 HydrophobicContact CD1-CD1 3.68Å
67	G	83.3	Confident	83.9	Confident	21 Å²	21	29 Å²	29	22%	0.216	16%	0.163	C	C	.	.			trans	-80.5	-176	174.1	0	0	0	0	0	112.7	S69 L70 N123	G67-S69 VanDerWaalsContact C-N 3.3Å; G67-S69 PolarHBondContact O-N 3.3Å; G67-L70 WeakPolarHBondContact CA-O 3.36Å; G67-L70 PolarHBondContact N-O 3.31Å; G67-N123 PolarHBondContact O-ND2 2.75Å
68	G	73.5	Confident	84.3	Confident	64 Å²	64	23.6 Å²	23.6	66%	0.66	14%	0.139	S	C	*	.	S	Bend	trans	-62.7	-34.8	178.3	0	0	0	0	0	113.9	N123	G68-N123 VanDerWaalsContact C-ND2 3.26Å; G68-N123 PolarHBondContact O-ND2 3.14Å
69	S	69.9	Low	84.7	Confident	51 Å²	51	20.9 Å²	20.9	36%	0.357	13%	0.125	S	C	.	.	S	Bend	trans	-121.9	-25.1	-175.7	-46.2	0	0	0	0	114.4	G67 N123 W248	G67-S69 VanDerWaalsContact C-N 3.3Å; G67-S69 PolarHBondContact O-N 3.3Å; S69-N123 VanDerWaalsContact C-ND2 3.33Å; S69-N123 PolarHBondContact N-ND2 3.4Å; S69-N123 WeakPolarHBondContact O-CB 3.46Å; S69-N123 VanDerWaalsContact O-CG 3.3Å; S69-N123 PolarHBondContact O-N 3.06Å; S69-W248 WeakPolarHBondContact OG-CZ3 3.47Å
70	L	78.9	Confident	84.9	Confident	17 Å²	17	26.1 Å²	26.1	9%	0.089	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.2	-174.6	-67.1	-165.1	0	0	0	112.7	G67 K120 F121 E122 N123 F349	G67-L70 WeakPolarHBondContact CA-O 3.36Å; G67-L70 PolarHBondContact N-O 3.31Å; L70-K120 HydrophobicContact CD1-CD 3.82Å; L70-K120 HydrophobicContact CD1-CG 3.79Å; L70-F121 WeakPolarHBondContact CA-O 3.42Å; L70-E122 HydrophobicContact CD2-CB 4.19Å; L70-E122 HydrophobicContact CD2-CG 3.89Å; L70-N123 VanDerWaalsContact CA-OD1 3.25Å; L70-N123 WeakPolarHBondContact CA-OD1 3.28Å; L70-N123 PolarHBondContact N-OD1 2.89Å; L70-N123 PolarHBondContact O-OD1 3.19Å; L70-F349 HydrophobicContact CD1-CD1 3.66Å; L70-F349 HydrophobicContact CD1-CD2 3.68Å; L70-F349 HydrophobicContact CD1-CE1 3.23Å; L70-F349 HydrophobicContact CD1-CE2 3.27Å; L70-F349 HydrophobicContact CD1-CG 3.86Å; L70-F349 HydrophobicContact CD1-CZ 3.03Å; L70-F349 HydrophobicContact CD2-CE1 4.38Å; L70-F349 HydrophobicContact CD2-CZ 4.5Å; L70-F349 HydrophobicContact CG-CD1 4.13Å; L70-F349 HydrophobicContact CG-CE1 3.76Å; L70-F349 HydrophobicContact CG-CZ 4.02Å
71	T	86.7	Confident	85.2	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.9	170.1	-62.6	0	0	0	0	109.3	I64 D65 I66 F121 N123	I64-T71 HydrophobicContact CD1-CG2 3.62Å; I64-T71 HydrophobicContact CG1-CG2 3.59Å; D65-T71 CarbonylContact O-C 3.57Å; D65-T71 WeakPolarHBondContact O-CA 3.32Å; I66-T71 HydrophobicContact CG1-CG2 4.25Å; T71-F121 VanDerWaalsContact CB-CE2 3.48Å; T71-F121 HydrophobicContact CG2-CE1 3.98Å; T71-F121 HydrophobicContact CG2-CE2 3.72Å; T71-F121 HydrophobicContact CG2-CZ 3.33Å; T71-F121 PolarHBondContact N-O 3.49Å; T71-F121 PolarHBondContact O-N 3.14Å; T71-F121 VanDerWaalsContact O-O 3.11Å; T71-N123 PolarHBondContact N-OD1 2.79Å; T71-N123 PolarHBondContact OG1-OD1 2.89Å
72	K	89.9	Confident	85.5	Confident	15 Å²	15	23 Å²	23	7%	0.065	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.1	167.9	-61	93.5	-174.3	178.8	0	108.7	I64 D65 I119 K120 G382 Y383 A386	I64-K72 CarbonylContact C-O 3.51Å; I64-K72 WeakPolarHBondContact CA-O 3.3Å; I64-K72 WeakPolarHBondContact CG1-O 3.25Å; D65-K72 HydrophobicContact CB-CB 4.43Å; D65-K72 HydrophobicContact CB-CD 4.48Å; D65-K72 PolarHBondContact N-O 2.79Å; D65-K72 PolarHBondContact O-N 3.02Å; K72-I119 CarbonylContact C-O 3.58Å; K72-I119 VanDerWaalsContact CA-O 3.25Å; K72-I119 WeakPolarHBondContact CA-O 3.38Å; K72-K120 HydrophobicContact CG-CB 4.1Å; K72-K120 HydrophobicContact CG-CG 4.01Å; K72-G382 VanDerWaalsContact CD-O 3.32Å; K72-G382 WeakPolarHBondContact CD-O 3.49Å; K72-G382 WeakPolarHBondContact CE-O 3.26Å; K72-G382 WeakPolarHBondContact CG-O 3.3Å; K72-Y383 HydrophobicContact CB-CD1 4.5Å; K72-Y383 HydrophobicContact CG-CD1 4.32Å; K72-A386 HydrophobicContact CB-CB 3.82Å
73	L	89.9	Confident	85.5	Confident	2 Å²	2	24 Å²	24	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.8	175	-175.8	73.4	0	0	0	108.3	F53 F62 Y75 F118 I119 F121 I133	F53-L73 HydrophobicContact CD1-CD2 4.36Å; F53-L73 HydrophobicContact CE1-CD2 3.79Å; F62-L73 HydrophobicContact CD1-CD1 4.17Å; L73-Y75 HydrophobicContact CD2-CD1 4.09Å; L73-Y75 HydrophobicContact CG-CD1 4.38Å; L73-F118 CarbonylContact O-C 3.28Å; L73-F118 WeakPolarHBondContact O-CA 3.48Å; L73-I119 PolarHBondContact N-O 3.41Å; L73-I119 PolarHBondContact O-N 3.3Å; L73-F121 HydrophobicContact CB-CE1 4.16Å; L73-I133 HydrophobicContact CD1-CD1 4Å; L73-I133 HydrophobicContact CD2-CD1 3.58Å; L73-I133 HydrophobicContact CD2-CG1 4.26Å; L73-I133 HydrophobicContact CG-CD1 4.45Å
74	A	91	Very high	85.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	135	165.5	0	0	0	0	0	108.3	F62 A63 H117 F118 A386 F390	F62-A74 CarbonylContact C-O 3.49Å; F62-A74 WeakPolarHBondContact CA-O 3.32Å; A63-A74 HydrophobicContact CB-CB 4.33Å; A63-A74 PolarHBondContact N-O 3.49Å; A63-A74 PolarHBondContact O-N 3.2Å; A63-A74 VanDerWaalsContact O-O 3.1Å; A74-H117 CarbonylContact C-O 3.52Å; A74-H117 VanDerWaalsContact CA-O 3.28Å; A74-H117 WeakPolarHBondContact CA-O 3.39Å; A74-F118 HydrophobicContact CB-CD1 3.51Å; A74-F118 HydrophobicContact CB-CE1 3.46Å; A74-F118 VanDerWaalsContact CB-CE1 3.46Å; A74-A386 HydrophobicContact CB-CB 4.14Å; A74-F390 HydrophobicContact CB-CB 4.01Å
75	Y	86.9	Confident	85.1	Confident	1 Å²	1	28.2 Å²	28.2	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	150.1	168	67.1	-84.7	0	0	0	112.1	R54 L56 A59 R61 F62 L73 H117 I119	R54-Y75 PolarHBondContact N-OH 3.24Å; R54-Y75 WeakPolarHBondContact O-CE2 3.44Å; R54-Y75 PolarHBondContact O-OH 2.9Å; L56-Y75 HydrophobicContact CD1-CD1 4.47Å; L56-Y75 HydrophobicContact CD1-CD2 4.13Å; L56-Y75 HydrophobicContact CD1-CE1 4.42Å; L56-Y75 HydrophobicContact CD1-CE2 4.08Å; L56-Y75 HydrophobicContact CD1-CG 4.33Å; A59-Y75 HydrophobicContact CB-CD2 3.75Å; A59-Y75 HydrophobicContact CB-CE2 4.45Å; A59-Y75 HydrophobicContact CB-CG 4.48Å; R61-Y75 CarbonylContact O-C 3.48Å; R61-Y75 WeakPolarHBondContact O-CA 3.39Å; R61-Y75 WeakPolarHBondContact O-CB 3.41Å; F62-Y75 HydrophobicContact CD1-CG 4.39Å; F62-Y75 HydrophobicContact CE1-CG 4.07Å; L73-Y75 HydrophobicContact CD2-CD1 4.09Å; L73-Y75 HydrophobicContact CG-CD1 4.38Å; Y75-H117 HydrophobicContact CD1-CB 3.82Å; Y75-H117 HydrophobicContact CD2-CB 4.14Å; Y75-H117 AromaticContact CD2-CD2 3.8Å; Y75-H117 HydrophobicContact CE1-CB 3.35Å; Y75-H117 HydrophobicContact CE2-CB 3.72Å; Y75-H117 AromaticContact CE2-CD2 3.3Å; Y75-H117 WeakPolarHBondContact CE2-CD2 3.24Å; Y75-H117 AromaticContact CE2-CG 3.54Å; Y75-H117 AromaticContact CE2-NE2 3.99Å; Y75-H117 HydrophobicContact CG-CB 4.18Å; Y75-H117 AromaticContact CZ-CD2 3.75Å; Y75-H117 AromaticContact CZ-CG 3.44Å; Y75-H117 VanDerWaalsContact CZ-CG 3.44Å; Y75-H117 PolarHBondContact N-O 3.42Å; Y75-H117 PolarHBondContact O-N 2.86Å; Y75-I119 HydrophobicContact CE1-CD1 3.67Å; Y75-I119 HydrophobicContact CE1-CG1 4.34Å
76	Y	86.7	Confident	84.9	Confident	44 Å²	44	28.3 Å²	28.3	17%	0.173	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.2	175.4	172.2	-79.9	0	0	0	108.9	A59 K60 R61 T78 A114 R115 L116 F390 W404	A59-Y76 CarbonylContact C-O 3.52Å; A59-Y76 VanDerWaalsContact CA-O 3.24Å; A59-Y76 WeakPolarHBondContact CA-O 3.44Å; K60-Y76 HydrophobicContact CB-CD1 4.03Å; K60-Y76 HydrophobicContact CB-CE1 4.47Å; K60-Y76 HydrophobicContact CD-CD1 4.48Å; K60-Y76 HydrophobicContact CD-CE1 4.1Å; K60-Y76 HydrophobicContact CG-CD1 4.28Å; K60-Y76 HydrophobicContact CG-CE1 4.37Å; K60-Y76 PolarHBondContact N-O 2.9Å; R61-Y76 PolarHBondContact O-N 3.24Å; Y76-T78 HydrophobicContact CE1-CG2 4.28Å; Y76-A114 HydrophobicContact CD2-CB 4.46Å; Y76-A114 HydrophobicContact CE2-CB 3.43Å; Y76-A114 VanDerWaalsContact CE2-CB 3.43Å; Y76-A114 WeakPolarHBondContact OH-CB 3.43Å; Y76-R115 WeakPolarHBondContact CA-O 3.17Å; Y76-L116 HydrophobicContact CD2-CD2 3.83Å; Y76-L116 HydrophobicContact CG-CD2 4.4Å; Y76-F390 VanDerWaalsContact CB-CE2 3.49Å; Y76-F390 HydrophobicContact CD2-CZ 4.05Å; Y76-F390 HydrophobicContact CG-CZ 4.23Å; Y76-W404 HydrophobicContact CD2-CH2 4.48Å; Y76-W404 HydrophobicContact CE2-CH2 4.35Å
77	S	86.7	Confident	84.8	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	160.6	173.1	80.2	0	0	0	0	111.1	N55 R115 H117	N55-S77 WeakPolarHBondContact CB-OG 3.22Å; N55-S77 WeakPolarHBondContact O-CB 3.48Å; S77-R115 PolarHBondContact N-O 3.15Å; S77-R115 PolarHBondContact O-N 2.67Å; S77-H117 PolarHBondContact OG-CD2 2.85Å; S77-H117 PolarHBondContact OG-NE2 3.48Å
78	T	84.9	Confident	84.7	Confident	19 Å²	19	36.7 Å²	36.7	12%	0.117	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.8	164.7	41.1	0	0	0	0	109.8	N58 Y76 I112 T113	N58-T78 WeakPolarHBondContact CB-O 3.41Å; N58-T78 PolarHBondContact O-N 3.42Å; Y76-T78 HydrophobicContact CE1-CG2 4.28Å; T78-I112 VanDerWaalsContact CB-CG2 3.42Å; T78-I112 HydrophobicContact CG2-CG2 3.54Å; T78-T113 CarbonylContact C-O 3.6Å; T78-T113 WeakPolarHBondContact CA-O 3.19Å
79	V	83.9	Confident	84.9	Confident	15 Å²	15	36.6 Å²	36.6	9%	0.091	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.6	179.5	-172.2	0	0	0	0	108.3	N55 I112 T113 R115	N55-V79 HydrophobicContact CB-CG2 4.43Å; N55-V79 WeakPolarHBondContact ND2-CG2 3.3Å; V79-I112 WeakPolarHBondContact O-CA 3.49Å; V79-T113 PolarHBondContact N-O 3.31Å; V79-T113 PolarHBondContact O-N 2.86Å; V79-T113 PolarHBondContact O-OG1 3.47Å; V79-R115 HydrophobicContact CG2-CB 3.65Å; V79-R115 HydrophobicContact CG2-CG 4.48Å
80	Q	83.6	Confident	84.4	Confident	116 Å²	116	41.7 Å²	41.7	54%	0.542	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.8	168.5	-80.6	178.8	-27.8	0	0	108.9	E111 I112	Q80-E111 WeakPolarHBondContact CA-O 3.45Å; Q80-I112 HydrophobicContact CG-CG1 3.87Å
81	H	83.4	Confident	83.2	Confident	37 Å²	37	46.3 Å²	46.3	17%	0.171	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.1	173.9	68.3	-60.2	0	0	0	109.6	V83 E111 T113	H81-V83 VanDerWaalsContact NE2-CG2 3.28Å; H81-V83 WeakPolarHBondContact NE2-CG2 3.45Å; H81-E111 PolarHBondContact N-O 2.72Å; H81-E111 PolarHBondContact ND1-O 3.3Å; H81-E111 PolarHBondContact O-N 3.17Å; H81-T113 WeakPolarHBondContact CE1-CG2 3.42Å; H81-T113 PolarHBondContact ND1-OG1 3.41Å
82	K	86.1	Confident	81	Confident	53 Å²	53	52.2 Å²	52.2	23%	0.23	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	143.4	175.1	-66.4	-172.5	-175.9	-179.8	0	109.4	V108 Q109 N543 P545	K82-V108 HydrophobicContact CB-CG1 3.7Å; K82-V108 HydrophobicContact CD-CG1 3.87Å; K82-V108 HydrophobicContact CG-CG1 4.01Å; K82-Q109 CarbonylContact C-O 3.58Å; K82-Q109 WeakPolarHBondContact CA-O 3.49Å; K82-N543 HydrophobicContact CD-CB 4.11Å; K82-N543 HydrophobicContact CG-CB 4.23Å; K82-N543 PolarHBondContact N-OD1 3.34Å; K82-P545 HydrophobicContact CB-CG 4.01Å; K82-P545 VanDerWaalsContact O-CB 3.28Å; K82-P545 WeakPolarHBondContact O-CB 3.22Å
83	V	86.3	Confident	78.5	Confident	25 Å²	25	54.4 Å²	54.4	15%	0.152	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.7	172.7	-178.4	0	0	0	0	109.1	H81 V108 Q109 E111	H81-V83 VanDerWaalsContact NE2-CG2 3.28Å; H81-V83 WeakPolarHBondContact NE2-CG2 3.45Å; V83-V108 WeakPolarHBondContact O-CA 3.43Å; V83-Q109 PolarHBondContact N-O 3.36Å; V83-Q109 PolarHBondContact O-N 3.42Å; V83-E111 HydrophobicContact CB-CG 4.16Å; V83-E111 HydrophobicContact CG2-CB 3.92Å; V83-E111 HydrophobicContact CG2-CG 3.85Å; V83-E111 WeakPolarHBondContact CG2-OE2 3.34Å
84	A	86.4	Confident	76.2	Confident	18 Å²	18	64.4 Å²	64.4	15%	0.149	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	123.9	174.2	0	0	0	0	0	109.6	P545 D546	A84-P545 HydrophobicContact CB-CB 4.34Å; A84-P545 HydrophobicContact CB-CG 4.36Å; A84-D546 HydrophobicContact CB-CB 3.67Å
85	K	87.2	Confident	74.4	Confident	73 Å²	73	69.2 Å²	69.2	32%	0.317	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	141.8	174.5	-67.7	-160.7	-175.3	161.6	0	111.2	S107 E111	K85-S107 PolarHBondContact N-O 3.29Å; K85-S107 PolarHBondContact O-N 3.35Å; K85-S107 PolarHBondContact O-OG 3.01Å; K85-E111 WeakPolarHBondContact CE-OE1 3.36Å; K85-E111 IonicContact NZ-OE1 2.92Å; K85-E111 PolarHBondContact NZ-OE1 3.01Å
86	V	89.1	Confident	72.3	Confident	23 Å²	23	75.3 Å²	75.3	14%	0.139	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.1	175.5	-62.9	0	0	0	0	110.7	Y104 E105 I106 E689 I692	V86-Y104 HydrophobicContact CB-CD2 3.84Å; V86-Y104 HydrophobicContact CB-CE2 4.17Å; V86-Y104 HydrophobicContact CB-CG 4.38Å; V86-Y104 HydrophobicContact CG1-CD2 3.63Å; V86-Y104 HydrophobicContact CG1-CE2 3.49Å; V86-Y104 VanDerWaalsContact CG1-CE2 3.49Å; V86-E105 VanDerWaalsContact CA-O 3.3Å; V86-E105 WeakPolarHBondContact CA-O 3.44Å; V86-I106 HydrophobicContact CG1-CG1 4.37Å; V86-E689 HydrophobicContact CB-CG 4.41Å; V86-E689 HydrophobicContact CG1-CG 3.81Å; V86-E689 HydrophobicContact CG2-CG 3.83Å; V86-I692 HydrophobicContact CB-CD1 3.96Å; V86-I692 HydrophobicContact CG2-CD1 3.72Å
87	R	86.9	Confident	70.3	Confident	139 Å²	139	81.9 Å²	81.9	53%	0.525	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.4	175.7	-69.5	-177.3	175.8	163.1	-0.7	110.7	Y104 E105	R87-Y104 WeakPolarHBondContact O-CA 3.39Å; R87-Y104 VanDerWaalsContact O-CB 3.28Å; R87-Y104 WeakPolarHBondContact O-CB 3.38Å; R87-E105 PolarHBondContact N-O 3.33Å; R87-E105 PolarHBondContact O-N 2.93Å
88	S	80.6	Confident	68.7	Low	58 Å²	58	89.6 Å²	89.6	41%	0.406	46%	0.462	S	S	.	.			trans	-68.3	151.9	167.4	54.1	0	0	0	0	110.3
89	F	78.4	Confident	67.1	Low	62 Å²	62	94.5 Å²	94.5	27%	0.272	49%	0.487	S	S	.	.			trans	-73.7	132.3	172.6	-65.3	-76.5	0	0	0	110.7	H91 P102 E105	F89-H91 PolarHBondContact O-N 2.89Å; F89-P102 HydrophobicContact CE2-CG 4.37Å; F89-P102 VanDerWaalsContact CE2-O 3.28Å; F89-P102 WeakPolarHBondContact CE2-O 3.45Å; F89-P102 HydrophobicContact CZ-CG 4.03Å; F89-E105 HydrophobicContact CE1-CB 4Å; F89-E105 HydrophobicContact CZ-CB 4.09Å
90	D	58.9	Low	65.8	Low	158 Å²	158	102.7 Å²	102.7	85%	0.845	52%	0.524	S	S	*	.			trans	-71.5	93.1	173.6	-75.9	-26.6	0	0	0	109.8	S92	D90-S92 PolarHBondContact O-N 3.38Å; D90-S92 VanDerWaalsContact O-N 3.08Å
91	H	53.1	Low	65.1	Low	115 Å²	115	102.5 Å²	102.5	53%	0.532	52%	0.523	S	S	.	.			trans	-85.1	78	177.7	-68.7	-55.3	0	0	0	111.9	F89	F89-H91 PolarHBondContact O-N 2.89Å
92	S	40.3	Very low	65	Low	123 Å²	123	103.3 Å²	103.3	86%	0.86	53%	0.532	S	S	*	.			trans	-97	70.9	156.1	68.2	0	0	0	0	110.3	D90	D90-S92 PolarHBondContact O-N 3.38Å; D90-S92 VanDerWaalsContact O-N 3.08Å
93	G	37.5	Very low	65	Low	61 Å²	61	101.4 Å²	101.4	63%	0.629	53%	0.525	S	S	*	.	S	Bend	trans	146.4	109.7	166.7	0	0	0	0	0	116.5
94	K	42	Very low	65.2	Low	212 Å²	212	100.2 Å²	100.2	92%	0.922	52%	0.518	S	S	*	.			trans	48.3	122.1	151.2	-69.8	-175.7	176.6	-180	0	120.3
95	D	53.3	Low	65.3	Low	102 Å²	102	104.4 Å²	104.4	55%	0.545	53%	0.534	S	S	.	.			trans	-45.6	137.3	162.4	-59.4	-53.6	0	0	0	114.1	R98	D95-R98 IonicContact OD1-CZ 3.61Å; D95-R98 VanDerWaalsContact OD1-CZ 3.31Å; D95-R98 IonicContact OD1-NE 3.33Å; D95-R98 IonicContact OD1-NH2 3.62Å; D95-R98 PolarHBondContact OD1-NH2 3.5Å
96	T	42.5	Very low	65.4	Low	128 Å²	128	102.8 Å²	102.8	79%	0.785	53%	0.528	S	S	*	.				158.5	86.2	107.5	48	0	0	0	0	109.4
97	E	44.3	Very low	65.3	Low	183 Å²	183	103 Å²	103	86%	0.855	53%	0.531	S	S	*	.			trans	175.9	59.5	154.2	-100.2	-179	-154.6	0	0	108.8
98	R	53.7	Low	65.3	Low	162 Å²	162	100 Å²	100	61%	0.611	53%	0.528	S	S	*	.			trans	-86.5	-1.3	-168.5	-69.7	-174.3	-172.4	-172.6	1.8	115.8	D95	D95-R98 IonicContact OD1-CZ 3.61Å; D95-R98 VanDerWaalsContact OD1-CZ 3.31Å; D95-R98 IonicContact OD1-NE 3.33Å; D95-R98 IonicContact OD1-NH2 3.62Å; D95-R98 PolarHBondContact OD1-NH2 3.5Å
99	D	51.5	Low	65.5	Low	122 Å²	122	99.6 Å²	99.6	65%	0.652	52%	0.52	S	S	*	.	S	Bend	trans	-83.1	-16.1	-168.3	-82.1	-26.2	0	0	0	114.9
100	H	57.6	Low	65.9	Low	187 Å²	187	103 Å²	103	87%	0.866	54%	0.536	S	S	*	.	S	Bend	trans	-117.8	-3.3	-177.1	-69.8	-58.1	0	0	0	115
101	E	68.8	Low	67.1	Low	111 Å²	111	97.3 Å²	97.3	52%	0.519	51%	0.505	S	S	.	.	S	Bend	trans	-77.2	140.5	177.7	-72.5	-172.2	158.8	0	0	111.5
102	P	81.5	Confident	68.6	Low	55 Å²	55	96.7 Å²	96.7	36%	0.357	50%	0.504	S	S	.	.			trans	-60.9	154	172.9	26.4	-32.6	0	0	0	110.5	F89 Y104 Q553	F89-P102 HydrophobicContact CE2-CG 4.37Å; F89-P102 VanDerWaalsContact CE2-O 3.28Å; F89-P102 WeakPolarHBondContact CE2-O 3.45Å; F89-P102 HydrophobicContact CZ-CG 4.03Å; P102-Y104 PolarHBondContact O-N 2.98Å; P102-Q553 HydrophobicContact CB-CG 3.88Å
103	P	84.9	Confident	70.6	Confident	12 Å²	12	92.2 Å²	92.2	8%	0.078	47%	0.472	C	S	.	.	S	Bend	trans	-64.4	-25.5	-177.3	24.6	-35	0	0	0	114.1	Q553 N556 L560 R696	P103-Q553 WeakPolarHBondContact CD-O 3.49Å; P103-Q553 HydrophobicContact CG-CG 4.13Å; P103-Q553 WeakPolarHBondContact CG-O 3.46Å; P103-N556 HydrophobicContact CG-CB 4.11Å; P103-L560 HydrophobicContact CB-CD1 3.95Å; P103-R696 PolarHBondContact O-NH2 2.74Å
104	Y	90.5	Very high	73	Confident	1 Å²	1	89.4 Å²	89.4	0%	0.004	44%	0.442	C	S	.	.	S	Bend	trans	-157.9	165.3	-178.7	45.7	-99.7	0	0	0	110.3	V86 R87 P102 I106 Q553 N556 I692	V86-Y104 HydrophobicContact CB-CD2 3.84Å; V86-Y104 HydrophobicContact CB-CE2 4.17Å; V86-Y104 HydrophobicContact CB-CG 4.38Å; V86-Y104 HydrophobicContact CG1-CD2 3.63Å; V86-Y104 HydrophobicContact CG1-CE2 3.49Å; V86-Y104 VanDerWaalsContact CG1-CE2 3.49Å; R87-Y104 WeakPolarHBondContact O-CA 3.39Å; R87-Y104 VanDerWaalsContact O-CB 3.28Å; R87-Y104 WeakPolarHBondContact O-CB 3.38Å; P102-Y104 PolarHBondContact O-N 2.98Å; Y104-I106 HydrophobicContact CD2-CG1 4.28Å; Y104-I106 HydrophobicContact CE2-CG1 4.11Å; Y104-Q553 HydrophobicContact CD2-CG 4.29Å; Y104-Q553 HydrophobicContact CE2-CB 3.87Å; Y104-Q553 HydrophobicContact CE2-CG 3.95Å; Y104-Q553 PolarHBondContact O-NE2 3.33Å; Y104-Q553 WeakPolarHBondContact OH-CA 3.35Å; Y104-N556 HydrophobicContact CE1-CB 4.26Å; Y104-N556 PolarHBondContact OH-ND2 3.13Å; Y104-I692 HydrophobicContact CD1-CD1 4.44Å; Y104-I692 HydrophobicContact CD1-CG2 4.13Å; Y104-I692 HydrophobicContact CG-CD1 4.23Å
105	E	89.6	Confident	75.3	Confident	105 Å²	105	80 Å²	80	49%	0.491	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	144.9	171.7	-170.5	179.8	-177.4	0	0	110.8	V86 R87 F89	V86-E105 VanDerWaalsContact CA-O 3.3Å; V86-E105 WeakPolarHBondContact CA-O 3.44Å; R87-E105 PolarHBondContact N-O 3.33Å; R87-E105 PolarHBondContact O-N 2.93Å; F89-E105 HydrophobicContact CE1-CB 4Å; F89-E105 HydrophobicContact CZ-CB 4.09Å
106	I	89.1	Confident	77.1	Confident	39 Å²	39	75.2 Å²	75.2	20%	0.2	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.2	170.4	-60.7	159.3	0	0	0	107.7	V86 Y104 Q553	V86-I106 HydrophobicContact CG1-CG1 4.37Å; Y104-I106 HydrophobicContact CD2-CG1 4.28Å; Y104-I106 HydrophobicContact CE2-CG1 4.11Å; I106-Q553 HydrophobicContact CD1-CB 3.87Å; I106-Q553 HydrophobicContact CD1-CG 4.3Å
107	S	87.3	Confident	79.4	Confident	28 Å²	28	69.1 Å²	69.1	20%	0.196	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	141.7	172.3	65.2	0	0	0	0	109.7	K85 Q109	K85-S107 PolarHBondContact N-O 3.29Å; K85-S107 PolarHBondContact O-N 3.35Å; K85-S107 PolarHBondContact O-OG 3.01Å; S107-Q109 PolarHBondContact OG-NE2 3.34Å; S107-Q109 VanDerWaalsContact OG-NE2 3.15Å
108	V	85.5	Confident	81.6	Confident	77 Å²	77	60.4 Å²	60.4	47%	0.467	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	124.5	169.8	-178.6	0	0	0	0	107.8	K82 V83	K82-V108 HydrophobicContact CB-CG1 3.7Å; K82-V108 HydrophobicContact CD-CG1 3.87Å; K82-V108 HydrophobicContact CG-CG1 4.01Å; V83-V108 WeakPolarHBondContact O-CA 3.43Å
109	Q	85.8	Confident	83.2	Confident	49 Å²	49	52.8 Å²	52.8	23%	0.229	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	152.4	178.9	-66.1	174	29.4	0	0	109.3	K82 V83 S107	K82-Q109 CarbonylContact C-O 3.58Å; K82-Q109 WeakPolarHBondContact CA-O 3.49Å; V83-Q109 PolarHBondContact N-O 3.36Å; V83-Q109 PolarHBondContact O-N 3.42Å; S107-Q109 PolarHBondContact OG-NE2 3.34Å; S107-Q109 VanDerWaalsContact OG-NE2 3.15Å
110	E	85.9	Confident	84.8	Confident	133 Å²	133	48.3 Å²	48.3	62%	0.621	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88	130.3	170.3	-67.1	-175.2	166.4	0	0	109.2
111	E	84.1	Confident	85.9	Confident	39 Å²	39	39.8 Å²	39.8	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.3	173.6	-65.7	-164.1	165.2	0	0	110.5	Q80 H81 V83 K85	Q80-E111 WeakPolarHBondContact CA-O 3.45Å; H81-E111 PolarHBondContact N-O 2.72Å; H81-E111 PolarHBondContact ND1-O 3.3Å; H81-E111 PolarHBondContact O-N 3.17Å; V83-E111 HydrophobicContact CB-CG 4.16Å; V83-E111 HydrophobicContact CG2-CB 3.92Å; V83-E111 HydrophobicContact CG2-CG 3.85Å; V83-E111 WeakPolarHBondContact CG2-OE2 3.34Å; K85-E111 WeakPolarHBondContact CE-OE1 3.36Å; K85-E111 IonicContact NZ-OE1 2.92Å; K85-E111 PolarHBondContact NZ-OE1 3.01Å
112	I	84.6	Confident	86.4	Confident	102 Å²	102	39.2 Å²	39.2	52%	0.523	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.4	-179.9	-63.5	174.5	0	0	0	108	T78 V79 Q80	T78-I112 VanDerWaalsContact CB-CG2 3.42Å; T78-I112 HydrophobicContact CG2-CG2 3.54Å; V79-I112 WeakPolarHBondContact O-CA 3.49Å; Q80-I112 HydrophobicContact CG-CG1 3.87Å
113	T	83.3	Confident	86.4	Confident	29 Å²	29	37.8 Å²	37.8	18%	0.178	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	155.4	171.8	43.2	0	0	0	0	110.9	T78 V79 H81	T78-T113 CarbonylContact C-O 3.6Å; T78-T113 WeakPolarHBondContact CA-O 3.19Å; V79-T113 PolarHBondContact N-O 3.31Å; V79-T113 PolarHBondContact O-N 2.86Å; V79-T113 PolarHBondContact O-OG1 3.47Å; H81-T113 WeakPolarHBondContact CE1-CG2 3.42Å; H81-T113 PolarHBondContact ND1-OG1 3.41Å
114	A	87.3	Confident	86.2	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.8	174.5	0	0	0	0	0	109.4	Y76 W404 R439	Y76-A114 HydrophobicContact CD2-CB 4.46Å; Y76-A114 HydrophobicContact CE2-CB 3.43Å; Y76-A114 VanDerWaalsContact CE2-CB 3.43Å; Y76-A114 WeakPolarHBondContact OH-CB 3.43Å; A114-W404 HydrophobicContact CB-CH2 4.48Å; A114-R439 HydrophobicContact CB-CB 3.75Å; A114-R439 WeakPolarHBondContact O-CB 3.19Å; A114-R439 PolarHBondContact O-N 2.91Å
115	R	90	Very high	85.9	Confident	15 Å²	15	45.3 Å²	45.3	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.5	174.9	-175.5	169	-71.7	178.8	10.3	110.7	Y76 S77 V79 H117 N407 E436 M437 D438 E541	Y76-R115 WeakPolarHBondContact CA-O 3.17Å; S77-R115 PolarHBondContact N-O 3.15Å; S77-R115 PolarHBondContact O-N 2.67Å; V79-R115 HydrophobicContact CG2-CB 3.65Å; V79-R115 HydrophobicContact CG2-CG 4.48Å; R115-H117 WeakPolarHBondContact CD-CE1 3.39Å; R115-H117 WeakPolarHBondContact CG-NE2 3.41Å; R115-N407 PolarHBondContact NH2-ND2 3.34Å; R115-N407 VanDerWaalsContact NH2-ND2 3.12Å; R115-E436 HydrophobicContact CG-CB 4.46Å; R115-E436 IonicContact CZ-OE2 3.74Å; R115-E436 IonicContact NE-OE2 2.68Å; R115-E436 IonicContact NH1-OE2 2.9Å; R115-E436 PolarHBondContact NH1-OE2 3.16Å; R115-M437 WeakPolarHBondContact CA-O 3.45Å; R115-D438 IonicContact CZ-OD1 2.96Å; R115-D438 IonicContact CZ-OD2 2.9Å; R115-D438 IonicContact NE-OD1 3.24Å; R115-D438 PolarHBondContact NE-OD1 3.39Å; R115-D438 IonicContact NE-OD2 3.16Å; R115-D438 IonicContact NH2-OD1 3.43Å; R115-D438 PolarHBondContact NH2-OD1 3.02Å; R115-D438 IonicContact NH2-OD2 3.87Å; R115-D438 PolarHBondContact NH2-OD2 3.38Å; R115-D438 VanDerWaalsContact NH2-OD2 3.15Å; R115-E541 IonicContact NH1-OE2 3Å; R115-E541 PolarHBondContact NH1-OE2 2.76Å
116	L	90.8	Very high	85.7	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134.3	166.6	-60.8	174	0	0	0	109.1	Y76 F118 F182 F390 W404 E436 M437	Y76-L116 HydrophobicContact CD2-CD2 3.83Å; Y76-L116 HydrophobicContact CG-CD2 4.4Å; L116-F118 HydrophobicContact CB-CD2 4.43Å; L116-F118 HydrophobicContact CB-CE2 3.55Å; L116-F118 HydrophobicContact CB-CZ 3.86Å; L116-F118 HydrophobicContact CD1-CE2 4.32Å; L116-F118 HydrophobicContact CD1-CZ 4.09Å; L116-F118 HydrophobicContact CG-CZ 4.48Å; L116-F182 HydrophobicContact CD1-CZ 4.14Å; L116-F390 HydrophobicContact CD1-CD1 4.46Å; L116-F390 HydrophobicContact CD1-CE1 4.17Å; L116-F390 HydrophobicContact CD2-CD1 3.9Å; L116-F390 HydrophobicContact CD2-CD2 4.48Å; L116-F390 HydrophobicContact CD2-CE1 3.25Å; L116-F390 HydrophobicContact CD2-CE2 3.91Å; L116-F390 HydrophobicContact CD2-CG 4.49Å; L116-F390 HydrophobicContact CD2-CZ 3.26Å; L116-F390 HydrophobicContact CG-CE1 4.35Å; L116-W404 HydrophobicContact CB-CZ3 4.38Å; L116-W404 HydrophobicContact CD1-CD2 4.01Å; L116-W404 HydrophobicContact CD1-CE3 3.75Å; L116-W404 HydrophobicContact CD1-CH2 3.75Å; L116-W404 HydrophobicContact CD1-CZ2 4.01Å; L116-W404 HydrophobicContact CD1-CZ3 3.64Å; L116-W404 HydrophobicContact CD2-CH2 4.11Å; L116-W404 HydrophobicContact CD2-CZ3 4.31Å; L116-W404 HydrophobicContact CG-CE3 3.96Å; L116-W404 HydrophobicContact CG-CH2 3.66Å; L116-W404 HydrophobicContact CG-CZ2 4.4Å; L116-W404 HydrophobicContact CG-CZ3 3.42Å; L116-W404 VanDerWaalsContact CG-CZ3 3.42Å; L116-E436 CarbonylContact O-C 3.39Å; L116-E436 VanDerWaalsContact O-CA 3.31Å; L116-E436 WeakPolarHBondContact O-CA 3.41Å; L116-M437 HydrophobicContact CB-CB 4.34Å; L116-M437 PolarHBondContact N-O 3.25Å; L116-M437 PolarHBondContact O-N 2.79Å
117	H	91.1	Very high	85.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.5	176.5	-57.9	-96.4	0	0	0	108.6	A74 Y75 S77 R115 E436	A74-H117 CarbonylContact C-O 3.52Å; A74-H117 VanDerWaalsContact CA-O 3.28Å; A74-H117 WeakPolarHBondContact CA-O 3.39Å; Y75-H117 HydrophobicContact CD1-CB 3.82Å; Y75-H117 HydrophobicContact CD2-CB 4.14Å; Y75-H117 AromaticContact CD2-CD2 3.8Å; Y75-H117 HydrophobicContact CE1-CB 3.35Å; Y75-H117 HydrophobicContact CE2-CB 3.72Å; Y75-H117 AromaticContact CE2-CD2 3.3Å; Y75-H117 WeakPolarHBondContact CE2-CD2 3.24Å; Y75-H117 AromaticContact CE2-CG 3.54Å; Y75-H117 AromaticContact CE2-NE2 3.99Å; Y75-H117 HydrophobicContact CG-CB 4.18Å; Y75-H117 AromaticContact CZ-CD2 3.75Å; Y75-H117 AromaticContact CZ-CG 3.44Å; Y75-H117 VanDerWaalsContact CZ-CG 3.44Å; Y75-H117 PolarHBondContact N-O 3.42Å; Y75-H117 PolarHBondContact O-N 2.86Å; S77-H117 PolarHBondContact OG-CD2 2.85Å; S77-H117 PolarHBondContact OG-NE2 3.48Å; R115-H117 WeakPolarHBondContact CD-CE1 3.39Å; R115-H117 WeakPolarHBondContact CG-NE2 3.41Å; H117-E436 IonicContact CE1-OE1 3.78Å; H117-E436 PolarHBondContact CE1-OE1 2.97Å; H117-E436 IonicContact ND1-OE1 2.73Å; H117-E436 PolarHBondContact ND1-OE1 2.98Å
118	F	90.3	Very high	85.5	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.8	177.3	-57.6	-84.6	0	0	0	109.7	L73 A74 L116 Y383 I387 L434 L435 M437	L73-F118 CarbonylContact O-C 3.28Å; L73-F118 WeakPolarHBondContact O-CA 3.48Å; A74-F118 HydrophobicContact CB-CD1 3.51Å; A74-F118 HydrophobicContact CB-CE1 3.46Å; A74-F118 VanDerWaalsContact CB-CE1 3.46Å; L116-F118 HydrophobicContact CB-CD2 4.43Å; L116-F118 HydrophobicContact CB-CE2 3.55Å; L116-F118 HydrophobicContact CB-CZ 3.86Å; L116-F118 HydrophobicContact CD1-CE2 4.32Å; L116-F118 HydrophobicContact CD1-CZ 4.09Å; L116-F118 HydrophobicContact CG-CZ 4.48Å; F118-Y383 HydrophobicContact CB-CD1 3.58Å; F118-Y383 HydrophobicContact CB-CE1 3.83Å; F118-Y383 HydrophobicContact CB-CG 4.11Å; F118-Y383 HydrophobicContact CG-CD1 4.5Å; F118-I387 HydrophobicContact CD1-CG1 3.79Å; F118-I387 HydrophobicContact CE1-CB 4.1Å; F118-I387 HydrophobicContact CE1-CD1 4.44Å; F118-I387 HydrophobicContact CE1-CG1 3.28Å; F118-I387 HydrophobicContact CE2-CG1 4.29Å; F118-I387 HydrophobicContact CG-CG1 4.49Å; F118-I387 HydrophobicContact CZ-CB 4.43Å; F118-I387 HydrophobicContact CZ-CD1 4.49Å; F118-I387 HydrophobicContact CZ-CG1 3.57Å; F118-L434 WeakPolarHBondContact O-CA 3.2Å; F118-L435 HydrophobicContact CB-CB 4.13Å; F118-L435 HydrophobicContact CD2-CB 4.25Å; F118-L435 HydrophobicContact CD2-CD2 3.73Å; F118-L435 HydrophobicContact CD2-CG 3.83Å; F118-L435 HydrophobicContact CE2-CD2 4.27Å; F118-L435 HydrophobicContact CG-CD2 4.34Å; F118-L435 PolarHBondContact N-O 2.98Å; F118-L435 PolarHBondContact O-N 3.33Å; F118-M437 HydrophobicContact CE2-CG 4.43Å; F118-M437 HydrophobicContact CE2-SD 4.08Å
119	I	88.1	Confident	85.4	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	135.6	-176.9	-55.2	172.4	0	0	0	108.4	I52 F53 K72 L73 Y75 F121 F432 L434	I52-I119 HydrophobicContact CG2-CD1 4.14Å; I52-I119 HydrophobicContact CG2-CG2 3.98Å; I52-I119 WeakPolarHBondContact O-CD1 3.44Å; F53-I119 HydrophobicContact CD1-CD1 3.32Å; F53-I119 HydrophobicContact CE1-CD1 3.45Å; F53-I119 VanDerWaalsContact CE1-CD1 3.45Å; F53-I119 HydrophobicContact CG-CD1 4.03Å; F53-I119 HydrophobicContact CZ-CD1 4.25Å; K72-I119 CarbonylContact C-O 3.58Å; K72-I119 VanDerWaalsContact CA-O 3.25Å; K72-I119 WeakPolarHBondContact CA-O 3.38Å; L73-I119 PolarHBondContact N-O 3.41Å; L73-I119 PolarHBondContact O-N 3.3Å; Y75-I119 HydrophobicContact CE1-CD1 3.67Å; Y75-I119 HydrophobicContact CE1-CG1 4.34Å; I119-F121 HydrophobicContact CG2-CD1 4.15Å; I119-F432 HydrophobicContact CG2-CD1 3.8Å; I119-L434 HydrophobicContact CG1-CD1 3.88Å
120	K	83.9	Confident	85.5	Confident	29 Å²	29	38.6 Å²	38.6	13%	0.126	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.9	176.4	178.3	-179.9	75	-157.6	0	110.3	L70 K72 F349 Y383 F432 D433	L70-K120 HydrophobicContact CD1-CD 3.82Å; L70-K120 HydrophobicContact CD1-CG 3.79Å; K72-K120 HydrophobicContact CG-CB 4.1Å; K72-K120 HydrophobicContact CG-CG 4.01Å; K120-F349 HydrophobicContact CD-CD2 4.27Å; K120-F349 HydrophobicContact CD-CE2 3.8Å; K120-Y383 HydrophobicContact CB-CE1 3.69Å; K120-F432 WeakPolarHBondContact O-CA 3.48Å; K120-D433 WeakPolarHBondContact CE-OD2 3.25Å; K120-D433 PolarHBondContact N-O 3.46Å; K120-D433 IonicContact NZ-OD2 2.66Å; K120-D433 PolarHBondContact NZ-OD2 3.41Å
121	F	81	Confident	85.5	Confident	7 Å²	7	34.7 Å²	34.7	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	164.1	-179.7	58.7	-92.7	0	0	0	112.7	L70 T71 L73 I119 I126 C129 F432	L70-F121 WeakPolarHBondContact CA-O 3.42Å; T71-F121 VanDerWaalsContact CB-CE2 3.48Å; T71-F121 HydrophobicContact CG2-CE1 3.98Å; T71-F121 HydrophobicContact CG2-CE2 3.72Å; T71-F121 HydrophobicContact CG2-CZ 3.33Å; T71-F121 PolarHBondContact N-O 3.49Å; T71-F121 PolarHBondContact O-N 3.14Å; T71-F121 VanDerWaalsContact O-O 3.11Å; L73-F121 HydrophobicContact CB-CE1 4.16Å; I119-F121 HydrophobicContact CG2-CD1 4.15Å; F121-I126 HydrophobicContact CE2-CB 4.38Å; F121-C129 HydrophobicContact CE1-CB 4.25Å; F121-C129 HydrophobicContact CE2-CB 3.96Å; F121-C129 HydrophobicContact CZ-CB 3.68Å; F121-F432 HydrophobicContact CB-CD1 3.84Å; F121-F432 HydrophobicContact CB-CE1 3.52Å; F121-F432 HydrophobicContact CB-CZ 4.41Å; F121-F432 HydrophobicContact CD1-CE1 4.38Å; F121-F432 HydrophobicContact CG-CE1 4.14Å
122	E	79.6	Confident	85.3	Confident	100 Å²	100	33.9 Å²	33.9	47%	0.467	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	143.9	179.7	-57.7	-174	152.5	0	0	112.9	L70 T124 Y125	L70-E122 HydrophobicContact CD2-CB 4.19Å; L70-E122 HydrophobicContact CD2-CG 3.89Å; E122-T124 WeakPolarHBondContact CB-OG1 3.49Å; E122-T124 PolarHBondContact O-N 2.79Å; E122-Y125 HydrophobicContact CB-CD2 3.76Å; E122-Y125 HydrophobicContact CB-CE2 3.9Å; E122-Y125 HydrophobicContact CG-CE2 4.27Å; E122-Y125 PolarHBondContact O-N 3.32Å
123	N	81.3	Confident	85.1	Confident	25 Å²	25	29.2 Å²	29.2	13%	0.134	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-56.5	-26.2	-179.3	-80.3	-3	0	0	0	113.6	G67 G68 S69 L70 T71 Y125 I126	G67-N123 PolarHBondContact O-ND2 2.75Å; G68-N123 VanDerWaalsContact C-ND2 3.26Å; G68-N123 PolarHBondContact O-ND2 3.14Å; S69-N123 VanDerWaalsContact C-ND2 3.33Å; S69-N123 PolarHBondContact N-ND2 3.4Å; S69-N123 WeakPolarHBondContact O-CB 3.46Å; S69-N123 VanDerWaalsContact O-CG 3.3Å; S69-N123 PolarHBondContact O-N 3.06Å; L70-N123 VanDerWaalsContact CA-OD1 3.25Å; L70-N123 WeakPolarHBondContact CA-OD1 3.28Å; L70-N123 PolarHBondContact N-OD1 2.89Å; L70-N123 PolarHBondContact O-OD1 3.19Å; T71-N123 PolarHBondContact N-OD1 2.79Å; T71-N123 PolarHBondContact OG1-OD1 2.89Å; N123-Y125 PolarHBondContact O-N 2.94Å; N123-I126 WeakPolarHBondContact O-CB 3.44Å; N123-I126 WeakPolarHBondContact O-CG2 3.39Å; N123-I126 PolarHBondContact O-N 3.39Å
124	T	81.5	Confident	85	Confident	110 Å²	110	32.1 Å²	32.1	68%	0.675	16%	0.164	S	C	*	.	G	3₁₀ helix	trans	-59.6	-24.7	174.8	45.7	0	0	0	0	112.9	E122	E122-T124 WeakPolarHBondContact CB-OG1 3.49Å; E122-T124 PolarHBondContact O-N 2.79Å
125	Y	83	Confident	84.5	Confident	61 Å²	61	37.9 Å²	37.9	24%	0.239	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-95.7	0.4	-179.5	-56.7	-62.2	0	0	0	113.7	I45 E122 N123 E127 A128 C129 T431	I45-Y125 HydrophobicContact CD1-CD1 4.45Å; I45-Y125 HydrophobicContact CD1-CE1 3.5Å; E122-Y125 HydrophobicContact CB-CD2 3.76Å; E122-Y125 HydrophobicContact CB-CE2 3.9Å; E122-Y125 HydrophobicContact CG-CE2 4.27Å; E122-Y125 PolarHBondContact O-N 3.32Å; N123-Y125 PolarHBondContact O-N 2.94Å; Y125-E127 VanDerWaalsContact C-N 3.31Å; Y125-E127 PolarHBondContact O-N 3.24Å; Y125-A128 PolarHBondContact O-N 3.07Å; Y125-C129 PolarHBondContact O-N 3.4Å; Y125-C129 PolarHBondContact O-SG 3.5Å; Y125-C129 VanDerWaalsContact O-SG 3.36Å; Y125-T431 HydrophobicContact CE2-CG2 4.5Å
126	I	86.4	Confident	83.7	Confident	7 Å²	7	39.7 Å²	39.7	4%	0.036	20%	0.203	C	C	.	.	H	α-helix	trans	-56.7	-43.2	-174.2	-164.3	173.4	0	0	0	112.8	I66 F121 N123 C129 L130 F155 L158	I66-I126 HydrophobicContact CD1-CD1 3.89Å; I66-I126 HydrophobicContact CG1-CD1 4.39Å; I66-I126 HydrophobicContact CG2-CD1 4.33Å; F121-I126 HydrophobicContact CE2-CB 4.38Å; N123-I126 WeakPolarHBondContact O-CB 3.44Å; N123-I126 WeakPolarHBondContact O-CG2 3.39Å; N123-I126 PolarHBondContact O-N 3.39Å; I126-C129 PolarHBondContact O-N 2.83Å; I126-L130 HydrophobicContact CG1-CD1 4.17Å; I126-L130 HydrophobicContact CG1-CG 4.38Å; I126-L130 VanDerWaalsContact O-CG 3.23Å; I126-L130 WeakPolarHBondContact O-CG 3.33Å; I126-L130 PolarHBondContact O-N 3.04Å; I126-F155 HydrophobicContact CD1-CB 4.13Å; I126-F155 HydrophobicContact CD1-CD1 4.05Å; I126-F155 HydrophobicContact CD1-CD2 4.2Å; I126-F155 HydrophobicContact CD1-CE1 4.47Å; I126-F155 HydrophobicContact CD1-CG 3.87Å; I126-F155 HydrophobicContact CG2-CD1 4.06Å; I126-F155 HydrophobicContact CG2-CE1 3.79Å; I126-F155 HydrophobicContact CG2-CZ 4.39Å; I126-L158 HydrophobicContact CG2-CD2 4.32Å
127	E	88.1	Confident	82.7	Confident	98 Å²	98	41.1 Å²	41.1	46%	0.458	21%	0.211	S	C	.	.	H	α-helix	trans	-65.5	-45.6	-179.3	-171.4	173.7	-179.9	0	0	111.6	Y125 C129 L130 D131 L158 K162	Y125-E127 VanDerWaalsContact C-N 3.31Å; Y125-E127 PolarHBondContact O-N 3.24Å; E127-C129 VanDerWaalsContact C-N 3.31Å; E127-C129 PolarHBondContact O-N 3.11Å; E127-L130 PolarHBondContact O-N 3.49Å; E127-L130 VanDerWaalsContact O-N 3.15Å; E127-D131 PolarHBondContact O-N 3.37Å; E127-L158 HydrophobicContact CB-CD2 4.49Å; E127-L158 HydrophobicContact CG-CD1 4.46Å; E127-K162 WeakPolarHBondContact OE1-CE 3.49Å; E127-K162 IonicContact OE1-NZ 3.81Å; E127-K162 PolarHBondContact OE1-NZ 3.26Å
128	A	84.5	Confident	81.1	Confident	48 Å²	48	44.8 Å²	44.8	40%	0.397	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-39.2	176.6	0	0	0	0	0	112	Y125 F132	Y125-A128 PolarHBondContact O-N 3.07Å; A128-F132 VanDerWaalsContact O-CB 3.29Å; A128-F132 WeakPolarHBondContact O-CB 3.41Å; A128-F132 PolarHBondContact O-N 3.36Å
129	C	83.7	Confident	79.4	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.007	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-39.6	174.5	-67.7	0	0	0	0	112	F53 F121 Y125 I126 E127 F132 I133	F53-C129 HydrophobicContact CZ-CB 4.49Å; F121-C129 HydrophobicContact CE1-CB 4.25Å; F121-C129 HydrophobicContact CE2-CB 3.96Å; F121-C129 HydrophobicContact CZ-CB 3.68Å; Y125-C129 PolarHBondContact O-N 3.4Å; Y125-C129 PolarHBondContact O-SG 3.5Å; Y125-C129 VanDerWaalsContact O-SG 3.36Å; I126-C129 PolarHBondContact O-N 2.83Å; E127-C129 VanDerWaalsContact C-N 3.31Å; E127-C129 PolarHBondContact O-N 3.11Å; C129-F132 PolarHBondContact O-N 3.22Å; C129-I133 WeakPolarHBondContact O-CB 3.41Å; C129-I133 WeakPolarHBondContact O-CD1 3.18Å; C129-I133 WeakPolarHBondContact O-CG1 3.47Å; C129-I133 PolarHBondContact O-N 2.82Å
130	L	87	Confident	77.8	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-67.8	-40.6	176.7	-68	172.2	0	0	0	112	I126 E127 F132 I133 K134 L158 I159 K162 L163	I126-L130 HydrophobicContact CG1-CD1 4.17Å; I126-L130 HydrophobicContact CG1-CG 4.38Å; I126-L130 VanDerWaalsContact O-CG 3.23Å; I126-L130 WeakPolarHBondContact O-CG 3.33Å; I126-L130 PolarHBondContact O-N 3.04Å; E127-L130 PolarHBondContact O-N 3.49Å; E127-L130 VanDerWaalsContact O-N 3.15Å; L130-F132 VanDerWaalsContact C-N 3.33Å; L130-I133 PolarHBondContact O-N 2.95Å; L130-K134 VanDerWaalsContact O-CB 3.29Å; L130-K134 WeakPolarHBondContact O-CB 3.22Å; L130-K134 PolarHBondContact O-N 3.13Å; L130-L158 HydrophobicContact CD1-CD2 4.07Å; L130-L158 HydrophobicContact CD1-CG 3.96Å; L130-I159 HydrophobicContact CD1-CG1 3.88Å; L130-I159 HydrophobicContact CD2-CG1 4.19Å; L130-K162 HydrophobicContact CB-CB 4.09Å; L130-K162 HydrophobicContact CB-CG 4.43Å; L130-L163 HydrophobicContact CB-CD2 4.35Å; L130-L163 HydrophobicContact CD2-CD1 3.73Å; L130-L163 HydrophobicContact CD2-CD2 4.14Å; L130-L163 HydrophobicContact CD2-CG 3.91Å; L130-L163 VanDerWaalsContact O-CD2 3.3Å; L130-L163 WeakPolarHBondContact O-CD2 3.5Å
131	D	85.3	Confident	76.5	Confident	50 Å²	50	61.8 Å²	61.8	27%	0.267	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-45.7	172.8	-76.5	-39.1	0	0	0	110.6	E127 I133 K134 D135 K162	E127-D131 PolarHBondContact O-N 3.37Å; D131-I133 PolarHBondContact O-N 3.48Å; D131-K134 WeakPolarHBondContact O-CB 3.37Å; D131-K134 PolarHBondContact O-N 3.38Å; D131-D135 VanDerWaalsContact O-CG 3.29Å; D131-D135 PolarHBondContact O-N 3.12Å; D131-K162 WeakPolarHBondContact OD1-CD 3.36Å; D131-K162 WeakPolarHBondContact OD1-CE 3.43Å; D131-K162 IonicContact OD1-NZ 2.84Å; D131-K162 PolarHBondContact OD1-NZ 2.97Å; D131-K162 IonicContact OD2-NZ 3.85Å; D131-K162 PolarHBondContact OD2-NZ 3.49Å
132	F	79.8	Confident	75.8	Confident	23 Å²	23	63 Å²	63	10%	0.101	33%	0.329	C	S	.	.	H	α-helix	trans	-60.6	-46.1	176.3	-176.8	-90.4	0	0	0	112.4	L47 P49 F53 L56 A128 C129 L130 K134 D135 H136	L47-F132 HydrophobicContact CD1-CB 4.47Å; P49-F132 HydrophobicContact CB-CE2 3.55Å; P49-F132 HydrophobicContact CB-CZ 3.52Å; P49-F132 HydrophobicContact CG-CE2 3.78Å; P49-F132 HydrophobicContact CG-CZ 4.27Å; F53-F132 HydrophobicContact CB-CD1 4.27Å; F53-F132 HydrophobicContact CB-CE1 3.38Å; F53-F132 HydrophobicContact CB-CZ 4.05Å; F53-F132 HydrophobicContact CD1-CD1 4.28Å; F53-F132 HydrophobicContact CD1-CE1 4.2Å; F53-F132 AromaticContact CD2-CD1 3.59Å; F53-F132 HydrophobicContact CD2-CD1 3.59Å; F53-F132 AromaticContact CD2-CE1 3.39Å; F53-F132 HydrophobicContact CD2-CE1 3.39Å; F53-F132 HydrophobicContact CD2-CG 4.44Å; F53-F132 HydrophobicContact CD2-CZ 4.08Å; F53-F132 AromaticContact CE2-CD1 3.93Å; F53-F132 HydrophobicContact CE2-CD1 3.93Å; F53-F132 HydrophobicContact CE2-CE1 4.19Å; F53-F132 AromaticContact CG-CD1 3.8Å; F53-F132 HydrophobicContact CG-CD1 3.8Å; F53-F132 AromaticContact CG-CE1 3.4Å; F53-F132 HydrophobicContact CG-CE1 3.4Å; F53-F132 HydrophobicContact CG-CZ 4.31Å; F53-F132 HydrophobicContact CZ-CD1 4.4Å; L56-F132 HydrophobicContact CD2-CD1 3.84Å; L56-F132 HydrophobicContact CD2-CE1 3.43Å; L56-F132 VanDerWaalsContact CD2-CE1 3.43Å; L56-F132 HydrophobicContact CD2-CZ 4.48Å; A128-F132 VanDerWaalsContact O-CB 3.29Å; A128-F132 WeakPolarHBondContact O-CB 3.41Å; A128-F132 PolarHBondContact O-N 3.36Å; C129-F132 PolarHBondContact O-N 3.22Å; L130-F132 VanDerWaalsContact C-N 3.33Å; F132-K134 VanDerWaalsContact C-N 3.33Å; F132-K134 PolarHBondContact O-N 2.97Å; F132-D135 PolarHBondContact O-N 3.04Å; F132-H136 AromaticContact CD2-CE1 3.66Å; F132-H136 AromaticContact CD2-ND1 3.88Å; F132-H136 AromaticContact CE1-ND1 3.92Å; F132-H136 AromaticContact CE2-CE1 3.21Å; F132-H136 WeakPolarHBondContact CE2-CE1 3.27Å; F132-H136 AromaticContact CE2-ND1 3.64Å; F132-H136 AromaticContact CE2-NE2 3.83Å; F132-H136 AromaticContact CZ-CE1 3.55Å; F132-H136 AromaticContact CZ-ND1 3.65Å; F132-H136 AromaticContact CZ-NE2 3.91Å; F132-H136 PolarHBondContact O-N 3.47Å; F132-H136 PolarHBondContact O-ND1 2.87Å
133	I	80.6	Confident	75.6	Confident	3 Å²	3	66.5 Å²	66.5	2%	0.015	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-42.9	177	-69	161.2	0	0	0	110.6	L56 F62 L73 C129 L130 D131 D135 H136 L137 L163	L56-I133 HydrophobicContact CD2-CG1 4.45Å; F62-I133 HydrophobicContact CD1-CG2 4.48Å; F62-I133 HydrophobicContact CE1-CG2 4Å; F62-I133 HydrophobicContact CZ-CG2 4.17Å; L73-I133 HydrophobicContact CD1-CD1 4Å; L73-I133 HydrophobicContact CD2-CD1 3.58Å; L73-I133 HydrophobicContact CD2-CG1 4.26Å; L73-I133 HydrophobicContact CG-CD1 4.45Å; C129-I133 WeakPolarHBondContact O-CB 3.41Å; C129-I133 WeakPolarHBondContact O-CD1 3.18Å; C129-I133 WeakPolarHBondContact O-CG1 3.47Å; C129-I133 PolarHBondContact O-N 2.82Å; L130-I133 PolarHBondContact O-N 2.95Å; D131-I133 PolarHBondContact O-N 3.48Å; I133-D135 VanDerWaalsContact C-N 3.35Å; I133-D135 PolarHBondContact O-N 3.13Å; I133-H136 CarbonylContact O-C 3.55Å; I133-H136 PolarHBondContact O-N 2.98Å; I133-L137 HydrophobicContact CG2-CD1 3.39Å; I133-L137 HydrophobicContact CG2-CG 3.79Å; I133-L137 WeakPolarHBondContact O-CA 3.07Å; I133-L137 WeakPolarHBondContact O-CB 3.38Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.19Å; I133-L163 HydrophobicContact CB-CD2 4.08Å; I133-L163 HydrophobicContact CG2-CD1 4.4Å; I133-L163 HydrophobicContact CG2-CD2 3.84Å
134	K	82.5	Confident	75.8	Confident	90 Å²	90	67.4 Å²	67.4	39%	0.391	35%	0.349	S	S	.	.	H	α-helix	trans	-60	-43.1	176.9	-178.9	-163.4	-173.9	179.4	0	112.4	L130 D131 F132 H136 K162 L163	L130-K134 VanDerWaalsContact O-CB 3.29Å; L130-K134 WeakPolarHBondContact O-CB 3.22Å; L130-K134 PolarHBondContact O-N 3.13Å; D131-K134 WeakPolarHBondContact O-CB 3.37Å; D131-K134 PolarHBondContact O-N 3.38Å; F132-K134 VanDerWaalsContact C-N 3.33Å; F132-K134 PolarHBondContact O-N 2.97Å; K134-H136 PolarHBondContact O-N 2.85Å; K134-K162 WeakPolarHBondContact CD-O 3.43Å; K134-K162 WeakPolarHBondContact CE-O 3.28Å; K134-K162 WeakPolarHBondContact CG-O 3.29Å; K134-L163 HydrophobicContact CB-CD2 4.12Å
135	D	77.2	Confident	76.1	Confident	122 Å²	122	62.2 Å²	62.2	65%	0.652	32%	0.317	S	S	*	.	H	α-helix	trans	-68.7	-23.5	-177.9	-69.9	-14.9	0	0	0	112.5	D131 F132 I133	D131-D135 VanDerWaalsContact O-CG 3.29Å; D131-D135 PolarHBondContact O-N 3.12Å; F132-D135 PolarHBondContact O-N 3.04Å; I133-D135 VanDerWaalsContact C-N 3.35Å; I133-D135 PolarHBondContact O-N 3.13Å
136	H	72.6	Confident	76.5	Confident	53 Å²	53	60.2 Å²	60.2	25%	0.245	31%	0.31	C	S	.	.	H	α-helix	trans	-113.6	-1.6	-177.3	-59.4	79.3	0	0	0	113.8	L56 F132 I133 K134 V138	L56-H136 HydrophobicContact CD2-CB 3.74Å; L56-H136 HydrophobicContact CG-CB 4.18Å; F132-H136 AromaticContact CD2-CE1 3.66Å; F132-H136 AromaticContact CD2-ND1 3.88Å; F132-H136 AromaticContact CE1-ND1 3.92Å; F132-H136 AromaticContact CE2-CE1 3.21Å; F132-H136 WeakPolarHBondContact CE2-CE1 3.27Å; F132-H136 AromaticContact CE2-ND1 3.64Å; F132-H136 AromaticContact CE2-NE2 3.83Å; F132-H136 AromaticContact CZ-CE1 3.55Å; F132-H136 AromaticContact CZ-ND1 3.65Å; F132-H136 AromaticContact CZ-NE2 3.91Å; F132-H136 PolarHBondContact O-N 3.47Å; F132-H136 PolarHBondContact O-ND1 2.87Å; I133-H136 CarbonylContact O-C 3.55Å; I133-H136 PolarHBondContact O-N 2.98Å; K134-H136 PolarHBondContact O-N 2.85Å; H136-V138 VanDerWaalsContact C-N 3.33Å; H136-V138 PolarHBondContact O-N 2.75Å
137	L	70.3	Confident	76.8	Confident	32 Å²	32	59.9 Å²	59.9	17%	0.168	31%	0.308	C	S	.	.			trans	-72.8	85.2	172.7	-102.9	166.5	0	0	0	109.1	F62 I133 T140 L163	F62-L137 HydrophobicContact CD2-CD2 4.2Å; F62-L137 HydrophobicContact CE2-CD2 3.42Å; F62-L137 VanDerWaalsContact CE2-CD2 3.42Å; F62-L137 HydrophobicContact CE2-CG 4.11Å; F62-L137 HydrophobicContact CZ-CD2 3.99Å; F62-L137 HydrophobicContact CZ-CG 4.23Å; I133-L137 HydrophobicContact CG2-CD1 3.39Å; I133-L137 HydrophobicContact CG2-CG 3.79Å; I133-L137 WeakPolarHBondContact O-CA 3.07Å; I133-L137 WeakPolarHBondContact O-CB 3.38Å; I133-L137 VanDerWaalsContact O-CG 3.26Å; I133-L137 WeakPolarHBondContact O-CG 3.44Å; I133-L137 PolarHBondContact O-N 3.19Å; L137-T140 HydrophobicContact CD2-CG2 3.21Å; L137-L163 HydrophobicContact CD1-CD2 4.08Å
138	V	56.9	Low	77	Confident	78 Å²	78	55.2 Å²	55.2	47%	0.473	29%	0.287	S	S	.	.			trans	-97.9	125.6	176	-172.5	0	0	0	0	108.8	H136 T140	H136-V138 VanDerWaalsContact C-N 3.33Å; H136-V138 PolarHBondContact O-N 2.75Å; V138-T140 PolarHBondContact O-N 3.43Å
139	N	53.7	Low	77.2	Confident	157 Å²	157	53.2 Å²	53.2	84%	0.84	27%	0.27	S	S	*	.	S	Bend	trans	57.5	46.2	169.8	-66.3	-23.2	0	0	0	117.1	E141	N139-E141 PolarHBondContact O-N 2.78Å
140	T	55.8	Low	77.1	Confident	41 Å²	41	55.8 Å²	55.8	25%	0.252	30%	0.298	S	S	.	.			trans	-81.6	118.3	168.7	52.1	0	0	0	0	112.1	A59 F62 L137 V138 T142	A59-T140 WeakPolarHBondContact O-CG2 3.45Å; F62-T140 HydrophobicContact CE2-CG2 4.42Å; L137-T140 HydrophobicContact CD2-CG2 3.21Å; V138-T140 PolarHBondContact O-N 3.43Å; T140-T142 PolarHBondContact O-N 2.95Å
141	E	56.5	Low	77	Confident	189 Å²	189	56 Å²	56	88%	0.883	30%	0.3	S	S	*	.			trans	-62.5	-19.5	162.7	-66.2	-174.1	165.4	0	0	112	N139 K143	N139-E141 PolarHBondContact O-N 2.78Å; E141-K143 PolarHBondContact O-N 2.57Å
142	T	65.6	Low	77	Confident	33 Å²	33	53.7 Å²	53.7	20%	0.202	29%	0.288	C	S	.	.			trans	-68.5	117	-178.4	-54.3	0	0	0	0	110.9	K60 T140 V144 L165	K60-T142 PolarHBondContact O-OG1 3.36Å; T140-T142 PolarHBondContact O-N 2.95Å; T142-V144 WeakPolarHBondContact CG2-O 3.48Å; T142-L165 WeakPolarHBondContact O-CD2 3.44Å
143	K	75.2	Confident	77.3	Confident	172 Å²	172	60.2 Å²	60.2	75%	0.748	31%	0.313	S	S	*	.			trans	-98.8	-0.2	176.9	-62.5	-176	-179	178.3	0	113.4	E141 K166	E141-K143 PolarHBondContact O-N 2.57Å; K143-K166 PolarHBondContact O-N 3.12Å
144	V	85.4	Confident	77.6	Confident	44 Å²	44	67.9 Å²	67.9	27%	0.267	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.1	-168.9	177.9	0	0	0	0	110	T142 K166 D168	T142-V144 WeakPolarHBondContact CG2-O 3.48Å; V144-K166 CarbonylContact C-O 3.56Å; V144-K166 VanDerWaalsContact CA-O 3.23Å; V144-K166 WeakPolarHBondContact CA-O 3.49Å; V144-K166 HydrophobicContact CG2-CB 4.44Å; V144-D168 HydrophobicContact CG1-CB 3.33Å
145	I	87.4	Confident	77.9	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.6	169.1	-175.6	169.6	0	0	0	109.3	F62 I64 A147 I159 L163 L165 K166 V167 D168	F62-I145 HydrophobicContact CB-CD1 3.95Å; F62-I145 HydrophobicContact CB-CG1 4.06Å; I64-I145 HydrophobicContact CB-CD1 4.43Å; I64-I145 HydrophobicContact CG2-CD1 4.21Å; I64-I145 HydrophobicContact CG2-CG1 4.43Å; I145-A147 PolarHBondContact O-N 3.42Å; I145-I159 HydrophobicContact CD1-CG2 4.42Å; I145-I159 HydrophobicContact CG2-CG2 3.74Å; I145-L163 HydrophobicContact CD1-CD1 4.02Å; I145-L165 HydrophobicContact CB-CB 4.36Å; I145-L165 HydrophobicContact CB-CD1 4.13Å; I145-L165 HydrophobicContact CG2-CB 4.09Å; I145-K166 PolarHBondContact N-O 2.83Å; I145-V167 HydrophobicContact CG2-CG2 3.88Å; I145-D168 PolarHBondContact O-N 3.46Å
146	Q	91.8	Very high	78.6	Confident	19 Å²	19	62.6 Å²	62.6	9%	0.089	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.3	176.1	-71.6	73.3	13.3	0	0	108.7	F62 A63 I64 D168 E170 A389 G393	F62-Q146 PolarHBondContact O-OE1 2.82Å; A63-Q146 CarbonylContact C-O 3.55Å; A63-Q146 WeakPolarHBondContact CA-O 3.49Å; A63-Q146 HydrophobicContact CB-CB 4.08Å; I64-Q146 PolarHBondContact N-O 3.37Å; Q146-D168 CarbonylContact C-O 3.55Å; Q146-D168 WeakPolarHBondContact CA-O 3.16Å; Q146-E170 HydrophobicContact CB-CG 4.42Å; Q146-A389 HydrophobicContact CB-CB 4.36Å; Q146-A389 WeakPolarHBondContact CB-O 3.42Å; Q146-G393 VanDerWaalsContact CD-CA 3.41Å
147	A	92.8	Very high	79.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.2	-178.5	0	0	0	0	0	110.9	I64 I145 A152 V167 D168 K169 E170	I64-A147 HydrophobicContact CG2-CB 3.63Å; I64-A147 CarbonylContact O-C 3.55Å; I64-A147 VanDerWaalsContact O-CA 3.26Å; I64-A147 WeakPolarHBondContact O-CA 3.16Å; I145-A147 PolarHBondContact O-N 3.42Å; A147-A152 HydrophobicContact CB-CB 3.73Å; A147-V167 HydrophobicContact CB-CG1 3.59Å; A147-D168 PolarHBondContact N-O 3.13Å; A147-K169 CarbonylContact O-C 3.53Å; A147-K169 WeakPolarHBondContact O-CA 3.5Å; A147-E170 PolarHBondContact O-N 3.43Å
148	T	92.9	Very high	80.6	Confident	1 Å²	1	66 Å²	66	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	178.4	171.4	-161.2	0	0	0	0	110.9	I64 D65 I66 E170 V172 C175 A389	I64-T148 PolarHBondContact O-N 2.91Å; D65-T148 HydrophobicContact CB-CG2 3.72Å; I66-T148 PolarHBondContact N-O 3.37Å; T148-E170 PolarHBondContact OG1-O 3.36Å; T148-V172 VanDerWaalsContact OG1-CA 3.31Å; T148-V172 WeakPolarHBondContact OG1-CA 3.47Å; T148-C175 HydrophobicContact CG2-CB 4.1Å; T148-A389 HydrophobicContact CG2-CB 4.01Å
149	G	87.4	Confident	82.1	Confident	5 Å²	5	62.3 Å²	62.3	5%	0.052	32%	0.315	C	S	.	.	S	Bend	trans	80.2	162.6	-172.7	0	0	0	0	0	113.3	I66 G151 A152	I66-G149 CarbonylContact O-C 3.49Å; G149-G151 PolarHBondContact O-N 3.39Å; G149-A152 VanDerWaalsContact O-CB 3.29Å; G149-A152 WeakPolarHBondContact O-CB 3.34Å; G149-A152 PolarHBondContact O-N 3.15Å; G149-A152 VanDerWaalsContact O-N 3.1Å
150	G	81.9	Confident	83.9	Confident	56 Å²	56	57.3 Å²	57.3	58%	0.577	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.2	-178.4	0	0	0	0	0	113.5	I66 A152 Y153	I66-G150 PolarHBondContact O-N 3.35Å; G150-A152 VanDerWaalsContact C-N 3.27Å; G150-A152 PolarHBondContact O-N 3.16Å; G150-Y153 PolarHBondContact O-N 2.85Å
151	G	84.5	Confident	85.5	Confident	7 Å²	7	62.2 Å²	62.2	7%	0.072	31%	0.307	C	S	.	.	H	α-helix	trans	-70.5	-18.5	176.5	0	0	0	0	0	114	I66 G149 Y153 K154 F155	I66-G151 WeakPolarHBondContact O-CA 3.35Å; I66-G151 PolarHBondContact O-N 3.35Å; G149-G151 PolarHBondContact O-N 3.39Å; G151-Y153 PolarHBondContact O-N 3.19Å; G151-Y153 VanDerWaalsContact O-N 3.12Å; G151-K154 PolarHBondContact O-N 3.1Å; G151-K154 VanDerWaalsContact O-N 3.08Å; G151-F155 WeakPolarHBondContact O-CD2 3.49Å; G151-F155 PolarHBondContact O-N 3.36Å
152	A	86.9	Confident	87	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-59.3	-24.3	173.7	0	0	0	0	0	112.7	A147 G149 G150 K156	A147-A152 HydrophobicContact CB-CB 3.73Å; G149-A152 VanDerWaalsContact O-CB 3.29Å; G149-A152 WeakPolarHBondContact O-CB 3.34Å; G149-A152 PolarHBondContact O-N 3.15Å; G149-A152 VanDerWaalsContact O-N 3.1Å; G150-A152 VanDerWaalsContact C-N 3.27Å; G150-A152 PolarHBondContact O-N 3.16Å; A152-K156 WeakPolarHBondContact O-CB 3.23Å
153	Y	84.8	Confident	88	Confident	161 Å²	161	53.7 Å²	53.7	63%	0.631	27%	0.265	S	S	*	.	H	α-helix	trans	-80.3	-48.3	171.7	-68	-98.2	0	0	0	111.7	G150 G151 K169	G150-Y153 PolarHBondContact O-N 2.85Å; G151-Y153 PolarHBondContact O-N 3.19Å; G151-Y153 VanDerWaalsContact O-N 3.12Å; Y153-K169 HydrophobicContact CD1-CD 4.37Å; Y153-K169 HydrophobicContact CE1-CD 4.18Å; Y153-K169 HydrophobicContact CE2-CD 4.38Å
154	K	88	Confident	88.5	Confident	164 Å²	164	55.4 Å²	55.4	71%	0.713	27%	0.267	S	S	*	.	H	α-helix	trans	-65.6	-40.9	-174.7	179.1	-179.7	173.3	-175.5	0	112.8	G151	G151-K154 PolarHBondContact O-N 3.1Å; G151-K154 VanDerWaalsContact O-N 3.08Å
155	F	88.7	Confident	88.4	Confident	31 Å²	31	53.9 Å²	53.9	14%	0.136	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	8.7	-173.8	-64.6	-79.8	0	0	0	112.9	I66 I126 G151 D157 L158 I159	I66-F155 HydrophobicContact CD1-CB 4.06Å; I66-F155 HydrophobicContact CD1-CD2 4.39Å; I66-F155 HydrophobicContact CG2-CD2 3.7Å; I66-F155 HydrophobicContact CG2-CE2 3.89Å; I126-F155 HydrophobicContact CD1-CB 4.13Å; I126-F155 HydrophobicContact CD1-CD1 4.05Å; I126-F155 HydrophobicContact CD1-CD2 4.2Å; I126-F155 HydrophobicContact CD1-CE1 4.47Å; I126-F155 HydrophobicContact CD1-CG 3.87Å; I126-F155 HydrophobicContact CG2-CD1 4.06Å; I126-F155 HydrophobicContact CG2-CE1 3.79Å; I126-F155 HydrophobicContact CG2-CZ 4.39Å; G151-F155 WeakPolarHBondContact O-CD2 3.49Å; G151-F155 PolarHBondContact O-N 3.36Å; F155-D157 PolarHBondContact O-N 3.45Å; F155-L158 HydrophobicContact CD1-CD2 3.98Å; F155-L158 PolarHBondContact O-N 3.34Å; F155-I159 HydrophobicContact CB-CD1 4.19Å; F155-I159 WeakPolarHBondContact O-CD1 3.17Å; F155-I159 VanDerWaalsContact O-CG1 3.25Å; F155-I159 WeakPolarHBondContact O-CG1 3.13Å; F155-I159 PolarHBondContact O-N 2.84Å
156	K	92	Very high	88.5	Confident	69 Å²	69	60.7 Å²	60.7	30%	0.3	29%	0.286	S	S	.	.	H	α-helix	trans	-52.2	-58.7	-177.6	-171.5	-167.7	169.1	-150.7	0	111.4	A152 L158 I159 E160 V167	A152-K156 WeakPolarHBondContact O-CB 3.23Å; K156-L158 VanDerWaalsContact C-N 3.27Å; K156-L158 PolarHBondContact O-N 3.09Å; K156-I159 PolarHBondContact O-N 2.97Å; K156-I159 VanDerWaalsContact O-N 3.13Å; K156-E160 VanDerWaalsContact CE-CD 3.48Å; K156-E160 WeakPolarHBondContact CE-OE1 3.44Å; K156-E160 WeakPolarHBondContact CE-OE2 3.19Å; K156-E160 HydrophobicContact CG-CG 4.42Å; K156-E160 IonicContact NZ-OE1 2.87Å; K156-E160 IonicContact NZ-OE2 2.85Å; K156-E160 WeakPolarHBondContact O-CG 3.37Å; K156-E160 PolarHBondContact O-N 3.44Å; K156-V167 HydrophobicContact CG-CB 3.95Å; K156-V167 HydrophobicContact CG-CG1 4.3Å; K156-V167 HydrophobicContact CG-CG2 4.13Å
157	D	92.3	Very high	88.4	Confident	118 Å²	118	60.2 Å²	60.2	63%	0.631	29%	0.285	S	S	*	.	H	α-helix	trans	-62.7	-37.6	-174.2	-58.4	-24.8	0	0	0	111.3	F155 I159 E160 E161	F155-D157 PolarHBondContact O-N 3.45Å; D157-I159 PolarHBondContact O-N 3.31Å; D157-E160 PolarHBondContact O-N 2.99Å; D157-E161 VanDerWaalsContact O-CB 3.22Å; D157-E161 WeakPolarHBondContact O-CB 3.27Å; D157-E161 PolarHBondContact O-N 3.04Å
158	L	91.1	Very high	88.3	Confident	40 Å²	40	63.9 Å²	63.9	21%	0.209	30%	0.304	C	S	.	.	H	α-helix	trans	-61.8	-44.3	175.8	-178.6	66.4	0	0	0	112	I126 E127 L130 F155 K156 K162	I126-L158 HydrophobicContact CG2-CD2 4.32Å; E127-L158 HydrophobicContact CB-CD2 4.49Å; E127-L158 HydrophobicContact CG-CD1 4.46Å; L130-L158 HydrophobicContact CD1-CD2 4.07Å; L130-L158 HydrophobicContact CD1-CG 3.96Å; F155-L158 HydrophobicContact CD1-CD2 3.98Å; F155-L158 PolarHBondContact O-N 3.34Å; K156-L158 VanDerWaalsContact C-N 3.27Å; K156-L158 PolarHBondContact O-N 3.09Å; L158-K162 HydrophobicContact CD1-CG 3.95Å; L158-K162 HydrophobicContact CG-CG 4.41Å; L158-K162 VanDerWaalsContact O-CB 3.29Å; L158-K162 WeakPolarHBondContact O-CB 3.47Å; L158-K162 WeakPolarHBondContact O-CG 3.34Å; L158-K162 PolarHBondContact O-N 3.2Å
159	I	89.3	Confident	88.3	Confident	0 Å²	0	68 Å²	68	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.5	-46.4	178.9	-64.3	161.1	0	0	0	110.2	I66 L130 I145 F155 K156 D157 E161 L163 V167	I66-I159 HydrophobicContact CD1-CD1 3.68Å; L130-I159 HydrophobicContact CD1-CG1 3.88Å; L130-I159 HydrophobicContact CD2-CG1 4.19Å; I145-I159 HydrophobicContact CD1-CG2 4.42Å; I145-I159 HydrophobicContact CG2-CG2 3.74Å; F155-I159 HydrophobicContact CB-CD1 4.19Å; F155-I159 WeakPolarHBondContact O-CD1 3.17Å; F155-I159 VanDerWaalsContact O-CG1 3.25Å; F155-I159 WeakPolarHBondContact O-CG1 3.13Å; F155-I159 PolarHBondContact O-N 2.84Å; K156-I159 PolarHBondContact O-N 2.97Å; K156-I159 VanDerWaalsContact O-N 3.13Å; D157-I159 PolarHBondContact O-N 3.31Å; I159-E161 VanDerWaalsContact C-N 3.34Å; I159-E161 PolarHBondContact O-N 2.7Å; I159-L163 HydrophobicContact CG2-CD1 4.05Å; I159-L163 HydrophobicContact CG2-CG 4.45Å; I159-L163 WeakPolarHBondContact O-CB 3.34Å; I159-L163 PolarHBondContact O-N 2.87Å; I159-V167 HydrophobicContact CB-CG2 3.92Å; I159-V167 HydrophobicContact CD1-CG2 4.42Å; I159-V167 HydrophobicContact CG2-CG2 3.72Å
160	E	91.1	Very high	88.5	Confident	52 Å²	52	70 Å²	70	24%	0.243	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-38.8	179.6	-63.7	-168.9	152.7	0	0	111.4	K156 D157 R164 L165 V167	K156-E160 VanDerWaalsContact CE-CD 3.48Å; K156-E160 WeakPolarHBondContact CE-OE1 3.44Å; K156-E160 WeakPolarHBondContact CE-OE2 3.19Å; K156-E160 HydrophobicContact CG-CG 4.42Å; K156-E160 IonicContact NZ-OE1 2.87Å; K156-E160 IonicContact NZ-OE2 2.85Å; K156-E160 WeakPolarHBondContact O-CG 3.37Å; K156-E160 PolarHBondContact O-N 3.44Å; D157-E160 PolarHBondContact O-N 2.99Å; E160-R164 WeakPolarHBondContact O-CA 3.49Å; E160-R164 PolarHBondContact O-N 2.93Å; E160-L165 WeakPolarHBondContact CA-O 3.35Å; E160-L165 WeakPolarHBondContact CG-O 3.42Å; E160-V167 HydrophobicContact CG-CB 4.28Å; E160-V167 HydrophobicContact CG-CG2 3.72Å; E160-V167 PolarHBondContact OE1-N 3.26Å
161	E	90.3	Very high	88.9	Confident	144 Å²	144	71.3 Å²	71.3	67%	0.673	32%	0.324	S	S	*	.	H	α-helix	trans	-67.9	-49.6	177	-175.4	-173.7	165.1	0	0	112.3	D157 I159	D157-E161 VanDerWaalsContact O-CB 3.22Å; D157-E161 WeakPolarHBondContact O-CB 3.27Å; D157-E161 PolarHBondContact O-N 3.04Å; I159-E161 VanDerWaalsContact C-N 3.34Å; I159-E161 PolarHBondContact O-N 2.7Å
162	K	88.4	Confident	89.1	Confident	29 Å²	29	73.9 Å²	73.9	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-72.4	-50.7	-173.8	-68.7	-91.9	-178.9	167.2	0	111.5	E127 L130 D131 K134 L158	E127-K162 WeakPolarHBondContact OE1-CE 3.49Å; E127-K162 IonicContact OE1-NZ 3.81Å; E127-K162 PolarHBondContact OE1-NZ 3.26Å; L130-K162 HydrophobicContact CB-CB 4.09Å; L130-K162 HydrophobicContact CB-CG 4.43Å; D131-K162 WeakPolarHBondContact OD1-CD 3.36Å; D131-K162 WeakPolarHBondContact OD1-CE 3.43Å; D131-K162 IonicContact OD1-NZ 2.84Å; D131-K162 PolarHBondContact OD1-NZ 2.97Å; D131-K162 IonicContact OD2-NZ 3.85Å; D131-K162 PolarHBondContact OD2-NZ 3.49Å; K134-K162 WeakPolarHBondContact CD-O 3.43Å; K134-K162 WeakPolarHBondContact CE-O 3.28Å; K134-K162 WeakPolarHBondContact CG-O 3.29Å; L158-K162 HydrophobicContact CD1-CG 3.95Å; L158-K162 HydrophobicContact CG-CG 4.41Å; L158-K162 VanDerWaalsContact O-CB 3.29Å; L158-K162 WeakPolarHBondContact O-CB 3.47Å; L158-K162 WeakPolarHBondContact O-CG 3.34Å; L158-K162 PolarHBondContact O-N 3.2Å
163	L	84.9	Confident	89.3	Confident	14 Å²	14	75.3 Å²	75.3	7%	0.073	35%	0.345	C	S	.	.	H	α-helix	trans	-88.6	-16.8	-174.3	-55.9	-170.9	0	0	0	113.3	L130 I133 K134 L137 I145 I159 L165	L130-L163 HydrophobicContact CB-CD2 4.35Å; L130-L163 HydrophobicContact CD2-CD1 3.73Å; L130-L163 HydrophobicContact CD2-CD2 4.14Å; L130-L163 HydrophobicContact CD2-CG 3.91Å; L130-L163 VanDerWaalsContact O-CD2 3.3Å; L130-L163 WeakPolarHBondContact O-CD2 3.5Å; I133-L163 HydrophobicContact CB-CD2 4.08Å; I133-L163 HydrophobicContact CG2-CD1 4.4Å; I133-L163 HydrophobicContact CG2-CD2 3.84Å; K134-L163 HydrophobicContact CB-CD2 4.12Å; L137-L163 HydrophobicContact CD1-CD2 4.08Å; I145-L163 HydrophobicContact CD1-CD1 4.02Å; I159-L163 HydrophobicContact CG2-CD1 4.05Å; I159-L163 HydrophobicContact CG2-CG 4.45Å; I159-L163 WeakPolarHBondContact O-CB 3.34Å; I159-L163 PolarHBondContact O-N 2.87Å; L163-L165 HydrophobicContact CB-CB 4.28Å; L163-L165 HydrophobicContact CB-CD1 4.12Å; L163-L165 HydrophobicContact CB-CG 3.94Å; L163-L165 HydrophobicContact CD1-CD1 4.22Å; L163-L165 PolarHBondContact O-N 3.02Å
164	R	85.4	Confident	89.6	Confident	208 Å²	208	69.1 Å²	69.1	79%	0.785	32%	0.324	S	S	*	.			trans	57.8	25.9	-171.7	-54.3	-180	174.1	180	-1.5	113.4	E160	E160-R164 WeakPolarHBondContact O-CA 3.49Å; E160-R164 PolarHBondContact O-N 2.93Å
165	L	84.4	Confident	89.9	Confident	11 Å²	11	61.3 Å²	61.3	6%	0.058	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-103.8	142.5	174.2	-59.4	179.8	0	0	0	109.3	T142 I145 E160 L163	T142-L165 WeakPolarHBondContact O-CD2 3.44Å; I145-L165 HydrophobicContact CB-CB 4.36Å; I145-L165 HydrophobicContact CB-CD1 4.13Å; I145-L165 HydrophobicContact CG2-CB 4.09Å; E160-L165 WeakPolarHBondContact CA-O 3.35Å; E160-L165 WeakPolarHBondContact CG-O 3.42Å; L163-L165 HydrophobicContact CB-CB 4.28Å; L163-L165 HydrophobicContact CB-CD1 4.12Å; L163-L165 HydrophobicContact CB-CG 3.94Å; L163-L165 HydrophobicContact CD1-CD1 4.22Å; L163-L165 PolarHBondContact O-N 3.02Å
166	K	88.9	Confident	90.1	Very high	144 Å²	144	60.3 Å²	60.3	63%	0.626	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	134.5	171.8	-174.6	-177.4	177.2	-170.3	0	109.5	K143 V144 I145 D168	K143-K166 PolarHBondContact O-N 3.12Å; V144-K166 CarbonylContact C-O 3.56Å; V144-K166 VanDerWaalsContact CA-O 3.23Å; V144-K166 WeakPolarHBondContact CA-O 3.49Å; V144-K166 HydrophobicContact CG2-CB 4.44Å; I145-K166 PolarHBondContact N-O 2.83Å; K166-D168 PolarHBondContact O-N 3.13Å
167	V	89.8	Confident	90.2	Very high	9 Å²	9	57 Å²	57	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	119.6	174.6	174.3	0	0	0	0	109.3	I145 A147 K156 I159 E160 K169	I145-V167 HydrophobicContact CG2-CG2 3.88Å; A147-V167 HydrophobicContact CB-CG1 3.59Å; K156-V167 HydrophobicContact CG-CB 3.95Å; K156-V167 HydrophobicContact CG-CG1 4.3Å; K156-V167 HydrophobicContact CG-CG2 4.13Å; I159-V167 HydrophobicContact CB-CG2 3.92Å; I159-V167 HydrophobicContact CD1-CG2 4.42Å; I159-V167 HydrophobicContact CG2-CG2 3.72Å; E160-V167 HydrophobicContact CG-CB 4.28Å; E160-V167 HydrophobicContact CG-CG2 3.72Å; E160-V167 PolarHBondContact OE1-N 3.26Å; V167-K169 HydrophobicContact CG1-CG 3.98Å
168	D	91	Very high	90.2	Very high	78 Å²	78	52.5 Å²	52.5	42%	0.417	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.5	168.8	-165.7	8.3	0	0	0	109.6	V144 I145 Q146 A147 K166	V144-D168 HydrophobicContact CG1-CB 3.33Å; I145-D168 PolarHBondContact O-N 3.46Å; Q146-D168 CarbonylContact C-O 3.55Å; Q146-D168 WeakPolarHBondContact CA-O 3.16Å; A147-D168 PolarHBondContact N-O 3.13Å; K166-D168 PolarHBondContact O-N 3.13Å
169	K	92.1	Very high	90.4	Very high	88 Å²	88	50.6 Å²	50.6	38%	0.383	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.5	-167.1	-67.5	-177.5	-67.2	167.7	0	109.8	A147 Y153 V167	A147-K169 CarbonylContact O-C 3.53Å; A147-K169 WeakPolarHBondContact O-CA 3.5Å; Y153-K169 HydrophobicContact CD1-CD 4.37Å; Y153-K169 HydrophobicContact CE1-CD 4.18Å; Y153-K169 HydrophobicContact CE2-CD 4.38Å; V167-K169 HydrophobicContact CG1-CG 3.98Å
170	E	92.9	Very high	90.6	Very high	45 Å²	45	50.6 Å²	50.6	21%	0.21	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-103.3	145	179.7	-64.4	-65.4	167.7	0	0	111.6	Q146 A147 T148 V172 C175 K392	Q146-E170 HydrophobicContact CB-CG 4.42Å; A147-E170 PolarHBondContact O-N 3.43Å; T148-E170 PolarHBondContact OG1-O 3.36Å; E170-V172 PolarHBondContact O-N 2.94Å; E170-C175 WeakPolarHBondContact CB-SG 3.38Å; E170-K392 HydrophobicContact CG-CB 4.08Å; E170-K392 HydrophobicContact CG-CG 4.39Å
171	D	91.1	Very high	90.7	Very high	84 Å²	84	48.1 Å²	48.1	45%	0.449	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-61.8	128.6	177.5	172.7	64.8	0	0	0	111.5	M173 T174 C175	D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 2.7Å; D171-M173 PolarHBondContact OD2-N 2.68Å; D171-T174 PolarHBondContact O-N 3.18Å; D171-T174 WeakPolarHBondContact OD2-CB 3.44Å; D171-T174 PolarHBondContact OD2-N 3.41Å; D171-T174 PolarHBondContact OD2-OG1 2.93Å; D171-C175 PolarHBondContact O-N 3.2Å; D171-C175 PolarHBondContact O-SG 3.4Å
172	V	88.5	Confident	90.8	Very high	61 Å²	61	41.5 Å²	41.5	37%	0.37	19%	0.194	S	C	.	.	H	α-helix	trans	-59.2	-44	-173.8	-176.9	0	0	0	0	111.5	T148 E170 L176	T148-V172 VanDerWaalsContact OG1-CA 3.31Å; T148-V172 WeakPolarHBondContact OG1-CA 3.47Å; E170-V172 PolarHBondContact O-N 2.94Å; V172-L176 VanDerWaalsContact O-CB 3.29Å; V172-L176 WeakPolarHBondContact O-CB 3.47Å; V172-L176 PolarHBondContact O-N 3.37Å
173	M	89.6	Confident	90.9	Very high	32 Å²	32	40.1 Å²	40.1	16%	0.158	19%	0.188	C	C	.	.	H	α-helix	trans	-72.3	-42.1	-175.6	-59.8	-49	-60.1	0	0	110.7	D171 C175 L176 I177 V226 F234	D171-M173 VanDerWaalsContact C-N 3.32Å; D171-M173 PolarHBondContact O-N 2.7Å; D171-M173 PolarHBondContact OD2-N 2.68Å; M173-C175 PolarHBondContact O-N 3.38Å; M173-L176 HydrophobicContact CE-CD2 4.22Å; M173-L176 WeakPolarHBondContact O-CB 3.39Å; M173-L176 PolarHBondContact O-N 2.83Å; M173-I177 WeakPolarHBondContact O-CG1 3.38Å; M173-I177 PolarHBondContact O-N 3.11Å; M173-V226 HydrophobicContact CE-CG2 3.11Å; M173-F234 HydrophobicContact CB-CE2 4.38Å
174	T	92.4	Very high	91.3	Very high	31 Å²	31	39.9 Å²	39.9	19%	0.19	19%	0.187	C	C	.	.	H	α-helix	trans	-58.5	-47.8	175.5	-56.5	0	0	0	0	111.4	D171 I177 K178	D171-T174 PolarHBondContact O-N 3.18Å; D171-T174 WeakPolarHBondContact OD2-CB 3.44Å; D171-T174 PolarHBondContact OD2-N 3.41Å; D171-T174 PolarHBondContact OD2-OG1 2.93Å; T174-I177 PolarHBondContact O-N 3.37Å; T174-K178 HydrophobicContact CG2-CD 4.48Å; T174-K178 WeakPolarHBondContact O-CB 3.31Å; T174-K178 WeakPolarHBondContact O-CG 3.16Å; T174-K178 PolarHBondContact O-N 2.83Å
175	C	93.5	Very high	91.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-45.7	175.6	-71.8	0	0	0	0	111.4	T148 E170 D171 M173 I177 K178 G179 G388 A389	T148-C175 HydrophobicContact CG2-CB 4.1Å; E170-C175 WeakPolarHBondContact CB-SG 3.38Å; D171-C175 PolarHBondContact O-N 3.2Å; D171-C175 PolarHBondContact O-SG 3.4Å; M173-C175 PolarHBondContact O-N 3.38Å; C175-I177 PolarHBondContact O-N 3.12Å; C175-K178 PolarHBondContact O-N 3.43Å; C175-G179 PolarHBondContact O-N 2.98Å; C175-G388 WeakPolarHBondContact O-CA 3.38Å; C175-A389 VanDerWaalsContact SG-CA 3.6Å; C175-A389 PolarHBondContact SG-N 2.9Å; C175-A389 VanDerWaalsContact SG-N 3.42Å
176	L	92.9	Very high	91.5	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.052	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-46.1	179.9	-169.7	79.9	0	0	0	112.5	V172 M173 G179 C180 L216 N218 L384	V172-L176 VanDerWaalsContact O-CB 3.29Å; V172-L176 WeakPolarHBondContact O-CB 3.47Å; V172-L176 PolarHBondContact O-N 3.37Å; M173-L176 HydrophobicContact CE-CD2 4.22Å; M173-L176 WeakPolarHBondContact O-CB 3.39Å; M173-L176 PolarHBondContact O-N 2.83Å; L176-G179 PolarHBondContact O-N 2.86Å; L176-C180 WeakPolarHBondContact O-CB 3.34Å; L176-C180 PolarHBondContact O-N 2.84Å; L176-L216 HydrophobicContact CD2-CD2 3.51Å; L176-L216 HydrophobicContact CD2-CG 4.46Å; L176-L216 HydrophobicContact CG-CD2 3.83Å; L176-N218 HydrophobicContact CD2-CB 3.52Å; L176-N218 VanDerWaalsContact CD2-CG 3.44Å; L176-N218 WeakPolarHBondContact CD2-ND2 3.24Å; L176-L384 HydrophobicContact CD1-CB 3.67Å; L176-L384 HydrophobicContact CD1-CD1 4.13Å; L176-L384 HydrophobicContact CG-CB 4.46Å
177	I	94.3	Very high	91.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-47	178.5	-63.1	-39.8	0	0	0	110.9	M173 T174 C175 G179 C180 N181 L216 V226 V228 F234	M173-I177 WeakPolarHBondContact O-CG1 3.38Å; M173-I177 PolarHBondContact O-N 3.11Å; T174-I177 PolarHBondContact O-N 3.37Å; C175-I177 PolarHBondContact O-N 3.12Å; I177-G179 VanDerWaalsContact C-N 3.31Å; I177-G179 PolarHBondContact O-N 3.01Å; I177-C180 WeakPolarHBondContact O-CB 3.29Å; I177-C180 PolarHBondContact O-N 2.82Å; I177-N181 VanDerWaalsContact O-CG 3.28Å; I177-N181 PolarHBondContact O-N 3.35Å; I177-L216 HydrophobicContact CD1-CB 4.29Å; I177-L216 HydrophobicContact CD1-CD2 3.39Å; I177-L216 HydrophobicContact CD1-CG 4.48Å; I177-V226 HydrophobicContact CD1-CB 4.32Å; I177-V226 HydrophobicContact CD1-CG1 4.03Å; I177-V226 HydrophobicContact CG1-CG1 4.33Å; I177-V228 HydrophobicContact CD1-CG2 3.56Å; I177-V228 HydrophobicContact CG1-CG2 4.18Å; I177-V228 HydrophobicContact CG2-CG1 3.85Å; I177-V228 HydrophobicContact CG2-CG2 4.2Å; I177-F234 HydrophobicContact CB-CD1 4.23Å; I177-F234 HydrophobicContact CB-CE1 4.38Å; I177-F234 HydrophobicContact CG1-CB 4.37Å; I177-F234 HydrophobicContact CG1-CD1 4.08Å; I177-F234 HydrophobicContact CG1-CD2 4.03Å; I177-F234 HydrophobicContact CG1-CE1 4.4Å; I177-F234 HydrophobicContact CG1-CE2 4.36Å; I177-F234 HydrophobicContact CG1-CG 3.89Å; I177-F234 HydrophobicContact CG2-CD1 3.97Å; I177-F234 HydrophobicContact CG2-CE1 4.47Å; I177-F234 HydrophobicContact CG2-CG 4.41Å
178	K	93.1	Very high	91.4	Very high	22 Å²	22	28.7 Å²	28.7	10%	0.096	15%	0.145	C	C	.	.	H	α-helix	trans	-59.8	-42.4	177.6	-76.3	-170.6	177.3	-68.1	0	111.8	T174 C175 F182 D232 K392	T174-K178 HydrophobicContact CG2-CD 4.48Å; T174-K178 WeakPolarHBondContact O-CB 3.31Å; T174-K178 WeakPolarHBondContact O-CG 3.16Å; T174-K178 PolarHBondContact O-N 2.83Å; C175-K178 PolarHBondContact O-N 3.43Å; K178-F182 VanDerWaalsContact O-CB 3.28Å; K178-F182 WeakPolarHBondContact O-CB 3.44Å; K178-F182 PolarHBondContact O-N 2.98Å; K178-D232 IonicContact NZ-OD1 3.55Å; K178-D232 PolarHBondContact NZ-OD1 3.37Å; K178-K392 HydrophobicContact CD-CG 4.39Å; K178-K392 VanDerWaalsContact CE-CE 3.46Å
179	G	93.7	Very high	91.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.4	-44.5	175.3	0	0	0	0	0	113.2	C175 L176 I177 F182 V183 L384	C175-G179 PolarHBondContact O-N 2.98Å; L176-G179 PolarHBondContact O-N 2.86Å; I177-G179 VanDerWaalsContact C-N 3.31Å; I177-G179 PolarHBondContact O-N 3.01Å; G179-F182 PolarHBondContact O-N 2.9Å; G179-V183 PolarHBondContact O-N 3.41Å; G179-V183 VanDerWaalsContact O-N 3.09Å; G179-L384 WeakPolarHBondContact CA-O 3.44Å
180	C	94.6	Very high	91.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.1	-50.8	176.5	-172.4	0	0	0	0	111.7	L176 I177 F182 V183 L184 L216 L384	L176-C180 WeakPolarHBondContact O-CB 3.34Å; L176-C180 PolarHBondContact O-N 2.84Å; I177-C180 WeakPolarHBondContact O-CB 3.29Å; I177-C180 PolarHBondContact O-N 2.82Å; C180-F182 VanDerWaalsContact C-N 3.28Å; C180-F182 PolarHBondContact O-N 3.34Å; C180-V183 VanDerWaalsContact O-CG2 3.29Å; C180-V183 WeakPolarHBondContact O-CG2 3.38Å; C180-V183 PolarHBondContact O-N 3.44Å; C180-L184 WeakPolarHBondContact O-CB 3.12Å; C180-L184 WeakPolarHBondContact O-CG 3.34Å; C180-L184 PolarHBondContact O-N 3.11Å; C180-L184 VanDerWaalsContact O-N 3.1Å; C180-L216 HydrophobicContact CB-CD2 4.42Å; C180-L384 HydrophobicContact CB-CD1 4.16Å
181	N	93.6	Very high	91.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-41.1	177.1	-67.6	-16.7	0	0	0	111.7	I177 K185 I211 F212 Y214 E231	I177-N181 VanDerWaalsContact O-CG 3.28Å; I177-N181 PolarHBondContact O-N 3.35Å; N181-K185 WeakPolarHBondContact O-CB 3.31Å; N181-K185 VanDerWaalsContact O-CG 3.26Å; N181-K185 WeakPolarHBondContact O-CG 3.43Å; N181-K185 PolarHBondContact O-N 2.92Å; N181-K185 VanDerWaalsContact O-N 3.14Å; N181-I211 HydrophobicContact CB-CD1 4.26Å; N181-F212 WeakPolarHBondContact OD1-CE1 3.33Å; N181-Y214 WeakPolarHBondContact OD1-CE1 3.45Å; N181-Y214 PolarHBondContact OD1-OH 2.69Å; N181-E231 WeakPolarHBondContact CB-OE1 3.43Å; N181-E231 VanDerWaalsContact ND2-CD 3.32Å; N181-E231 PolarHBondContact ND2-O 2.92Å; N181-E231 PolarHBondContact ND2-OE1 2.79Å; N181-E231 PolarHBondContact ND2-OE2 3.45Å
182	F	91.5	Very high	91.6	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.026	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-48.6	-178.8	-179.9	-94.3	0	0	0	112.3	L116 K178 G179 C180 K185 N186 I387 L391 W404 M437	L116-F182 HydrophobicContact CD1-CZ 4.14Å; K178-F182 VanDerWaalsContact O-CB 3.28Å; K178-F182 WeakPolarHBondContact O-CB 3.44Å; K178-F182 PolarHBondContact O-N 2.98Å; G179-F182 PolarHBondContact O-N 2.9Å; C180-F182 VanDerWaalsContact C-N 3.28Å; C180-F182 PolarHBondContact O-N 3.34Å; F182-K185 PolarHBondContact O-N 3.23Å; F182-N186 WeakPolarHBondContact O-CB 3.34Å; F182-N186 PolarHBondContact O-N 3.22Å; F182-N186 PolarHBondContact O-ND2 3.05Å; F182-I387 HydrophobicContact CB-CG2 4.03Å; F182-I387 HydrophobicContact CD1-CG2 3.58Å; F182-I387 HydrophobicContact CE1-CG2 4.25Å; F182-I387 HydrophobicContact CG-CG2 3.94Å; F182-L391 HydrophobicContact CB-CD1 3.71Å; F182-L391 HydrophobicContact CD2-CD1 3.75Å; F182-L391 HydrophobicContact CD2-CD2 3.93Å; F182-L391 HydrophobicContact CD2-CG 4.44Å; F182-L391 HydrophobicContact CE2-CD2 3.98Å; F182-L391 HydrophobicContact CG-CD1 3.81Å; F182-W404 AromaticContact CE2-CD1 3.5Å; F182-W404 VanDerWaalsContact CE2-CD1 3.5Å; F182-W404 HydrophobicContact CE2-CG 4.13Å; F182-W404 AromaticContact CE2-NE1 3.74Å; F182-W404 HydrophobicContact CZ-CB 4.08Å; F182-W404 AromaticContact CZ-CD1 3.47Å; F182-W404 VanDerWaalsContact CZ-CD1 3.47Å; F182-W404 HydrophobicContact CZ-CD2 4.11Å; F182-W404 AromaticContact CZ-CG 3.61Å; F182-W404 HydrophobicContact CZ-CG 3.61Å; F182-W404 AromaticContact CZ-NE1 3.87Å; F182-M437 HydrophobicContact CE1-CE 3.63Å; F182-M437 HydrophobicContact CE1-SD 3.79Å; F182-M437 HydrophobicContact CZ-CE 4.2Å
183	V	91.6	Very high	91.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-68.5	-42.3	-179.7	-63.1	0	0	0	0	111.9	G179 C180 K185 N186 I187 E190 H380 L384 I387	G179-V183 PolarHBondContact O-N 3.41Å; G179-V183 VanDerWaalsContact O-N 3.09Å; C180-V183 VanDerWaalsContact O-CG2 3.29Å; C180-V183 WeakPolarHBondContact O-CG2 3.38Å; C180-V183 PolarHBondContact O-N 3.44Å; V183-K185 PolarHBondContact O-N 3.01Å; V183-N186 PolarHBondContact O-N 3.43Å; V183-I187 HydrophobicContact CB-CD1 4.12Å; V183-I187 HydrophobicContact CG1-CD1 4.01Å; V183-I187 WeakPolarHBondContact O-CB 3.38Å; V183-I187 PolarHBondContact O-N 3.34Å; V183-E190 HydrophobicContact CB-CG 3.87Å; V183-E190 HydrophobicContact CG2-CG 3.75Å; V183-H380 HydrophobicContact CG1-CB 4.4Å; V183-L384 HydrophobicContact CG1-CD2 4.42Å; V183-L384 HydrophobicContact CG2-CD2 3.72Å; V183-I387 HydrophobicContact CG1-CD1 3.53Å
184	L	91.8	Very high	91.8	Very high	9 Å²	9	12.2 Å²	12.2	5%	0.047	6%	0.062	C	C	.	.	H	α-helix	trans	-61.4	-30.2	178.6	-73.8	174	0	0	0	113	C180 E190 A191 N207 I211 Y345 L378	C180-L184 WeakPolarHBondContact O-CB 3.12Å; C180-L184 WeakPolarHBondContact O-CG 3.34Å; C180-L184 PolarHBondContact O-N 3.11Å; C180-L184 VanDerWaalsContact O-N 3.1Å; L184-E190 HydrophobicContact CD2-CG 4.22Å; L184-A191 HydrophobicContact CD2-CB 3.95Å; L184-N207 PolarHBondContact O-ND2 3.22Å; L184-I211 HydrophobicContact CB-CD1 4.22Å; L184-I211 HydrophobicContact CB-CG2 4.2Å; L184-I211 HydrophobicContact CD1-CD1 4.35Å; L184-Y345 HydrophobicContact CD1-CE1 4.23Å; L184-Y345 HydrophobicContact CD1-CE2 4.19Å; L184-Y345 HydrophobicContact CD2-CD1 4.36Å; L184-Y345 HydrophobicContact CD2-CE1 3.74Å; L184-L378 HydrophobicContact CD2-CD2 3.69Å; L184-L378 HydrophobicContact CG-CD2 4.27Å
185	K	87.8	Confident	91.5	Very high	100 Å²	100	13.7 Å²	13.7	44%	0.435	7%	0.066	S	C	.	.	H	α-helix	trans	-84.1	-42.2	177.7	-72.8	173.1	176.4	-179.4	0	112.8	N181 F182 V183 N207 I211 E231	N181-K185 WeakPolarHBondContact O-CB 3.31Å; N181-K185 VanDerWaalsContact O-CG 3.26Å; N181-K185 WeakPolarHBondContact O-CG 3.43Å; N181-K185 PolarHBondContact O-N 2.92Å; N181-K185 VanDerWaalsContact O-N 3.14Å; F182-K185 PolarHBondContact O-N 3.23Å; V183-K185 PolarHBondContact O-N 3.01Å; K185-N207 PolarHBondContact O-ND2 3.15Å; K185-I211 HydrophobicContact CG-CD1 4.19Å; K185-E231 IonicContact NZ-OE2 3.07Å; K185-E231 PolarHBondContact NZ-OE2 3.02Å
186	N	86.9	Confident	90.8	Very high	18 Å²	18	17.6 Å²	17.6	10%	0.096	8%	0.083	C	C	.	.	H	α-helix	trans	-92.3	-37.3	-167.9	-74	-81.6	0	0	0	113.7	F182 V183 P188 W404 M437 R729	F182-N186 WeakPolarHBondContact O-CB 3.34Å; F182-N186 PolarHBondContact O-N 3.22Å; F182-N186 PolarHBondContact O-ND2 3.05Å; V183-N186 PolarHBondContact O-N 3.43Å; N186-P188 WeakPolarHBondContact O-CD 3.18Å; N186-W404 HydrophobicContact CB-CB 4.11Å; N186-W404 PolarHBondContact OD1-N 3.18Å; N186-M437 HydrophobicContact CB-CE 4.12Å; N186-R729 PolarHBondContact O-NH1 2.66Å
187	I	88.7	Confident	90.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-95	116.7	-172.2	-58.6	179.9	0	0	0	109.1	V183 E190 N207 H380 M437	V183-I187 HydrophobicContact CB-CD1 4.12Å; V183-I187 HydrophobicContact CG1-CD1 4.01Å; V183-I187 WeakPolarHBondContact O-CB 3.38Å; V183-I187 PolarHBondContact O-N 3.34Å; I187-E190 HydrophobicContact CB-CB 4.2Å; I187-E190 HydrophobicContact CG2-CB 4.33Å; I187-N207 PolarHBondContact O-ND2 3.46Å; I187-N207 PolarHBondContact O-OD1 3.23Å; I187-N207 VanDerWaalsContact O-OD1 3.04Å; I187-H380 WeakPolarHBondContact CD1-ND1 3.13Å; I187-M437 HydrophobicContact CD1-CE 3.8Å; I187-M437 HydrophobicContact CD1-SD 3.99Å; I187-M437 HydrophobicContact CG1-CE 3.55Å; I187-M437 HydrophobicContact CG1-SD 4.41Å
188	P	87.4	Confident	89.5	Confident	19 Å²	19	24.8 Å²	24.8	12%	0.123	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	141	169.6	-23.5	35.7	0	0	0	111	N186 E190 N207	N186-P188 WeakPolarHBondContact O-CD 3.18Å; P188-E190 PolarHBondContact O-N 3.48Å; P188-N207 VanDerWaalsContact CA-OD1 3.25Å; P188-N207 WeakPolarHBondContact CA-OD1 3.48Å
189	H	90.9	Very high	88.7	Confident	16 Å²	16	30.2 Å²	30.2	7%	0.074	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	31.1	176.3	-50	-60.6	0	0	0	113.4	F204 Q205 N207 R379	H189-F204 HydrophobicContact CB-CB 3.81Å; H189-F204 HydrophobicContact CB-CD1 4.01Å; H189-F204 HydrophobicContact CB-CG 4.04Å; H189-F204 WeakPolarHBondContact O-CD1 3.16Å; H189-Q205 WeakPolarHBondContact CA-O 3.48Å; H189-N207 PolarHBondContact N-OD1 2.92Å; H189-R379 WeakPolarHBondContact O-CD 3.49Å
190	E	93	Very high	88.2	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.157	C	C	.	.			trans	-65.7	-42.9	177.9	175.6	55.7	-152.8	0	0	112.2	V183 L184 I187 P188 L378 R379 H380	V183-E190 HydrophobicContact CB-CG 3.87Å; V183-E190 HydrophobicContact CG2-CG 3.75Å; L184-E190 HydrophobicContact CD2-CG 4.22Å; I187-E190 HydrophobicContact CB-CB 4.2Å; I187-E190 HydrophobicContact CG2-CB 4.33Å; P188-E190 PolarHBondContact O-N 3.48Å; E190-L378 HydrophobicContact CG-CD2 3.97Å; E190-L378 WeakPolarHBondContact O-CA 3.21Å; E190-L378 WeakPolarHBondContact OE1-CB 3.27Å; E190-R379 PolarHBondContact O-N 3.04Å; E190-R379 PolarHBondContact OE1-N 3.24Å; E190-H380 PolarHBondContact OE1-N 3.36Å; E190-H380 IonicContact OE1-ND1 2.62Å; E190-H380 IonicContact OE2-CE1 3.95Å; E190-H380 IonicContact OE2-CG 2.63Å; E190-H380 IonicContact OE2-ND1 3.5Å; E190-H380 PolarHBondContact OE2-ND1 3.41Å
191	A	93.6	Very high	87.8	Confident	7 Å²	7	33.6 Å²	33.6	6%	0.058	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143	-177.4	0	0	0	0	0	111.8	L184 F204 Q205 Y345 F377 L378	L184-A191 HydrophobicContact CD2-CB 3.95Å; A191-F204 WeakPolarHBondContact O-CA 3.32Å; A191-Q205 HydrophobicContact CB-CB 4.46Å; A191-Q205 PolarHBondContact O-N 3.48Å; A191-Y345 HydrophobicContact CB-CD1 4.38Å; A191-Y345 HydrophobicContact CB-CE1 3.71Å; A191-F377 CarbonylContact C-O 3.41Å; A191-F377 VanDerWaalsContact CA-O 3.25Å; A191-F377 WeakPolarHBondContact CA-O 3.43Å; A191-L378 HydrophobicContact CB-CD2 4.27Å
192	F	93.4	Very high	87.7	Confident	2 Å²	2	34 Å²	34	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	155.7	177	63.8	-84.8	0	0	0	113.3	F202 R203 F204 M358 L376 F377 R379 L414	F192-F202 AromaticContact CD2-CD1 3.75Å; F192-F202 HydrophobicContact CD2-CD1 3.75Å; F192-F202 HydrophobicContact CD2-CE1 4.5Å; F192-F202 AromaticContact CE2-CD1 3.52Å; F192-F202 HydrophobicContact CE2-CD1 3.52Å; F192-F202 AromaticContact CE2-CE1 3.83Å; F192-F202 HydrophobicContact CE2-CE1 3.83Å; F192-F202 HydrophobicContact CZ-CD1 4.24Å; F192-F202 HydrophobicContact CZ-CE1 4.34Å; F192-R203 CarbonylContact C-O 3.54Å; F192-R203 VanDerWaalsContact CA-O 3.25Å; F192-R203 WeakPolarHBondContact CA-O 3.43Å; F192-R203 WeakPolarHBondContact CB-O 3.43Å; F192-F204 HydrophobicContact CB-CD1 3.55Å; F192-F204 HydrophobicContact CB-CE1 3.82Å; F192-F204 HydrophobicContact CB-CG 4.09Å; F192-F204 HydrophobicContact CD1-CD1 4.18Å; F192-F204 AromaticContact CD1-CE1 3.76Å; F192-F204 HydrophobicContact CD1-CE1 3.76Å; F192-F204 HydrophobicContact CG-CD1 4.16Å; F192-F204 AromaticContact CG-CE1 3.92Å; F192-F204 HydrophobicContact CG-CE1 3.92Å; F192-M358 HydrophobicContact CE2-SD 3.7Å; F192-M358 HydrophobicContact CZ-SD 3.88Å; F192-L376 WeakPolarHBondContact O-CA 3.45Å; F192-F377 HydrophobicContact CD1-CB 4.29Å; F192-F377 HydrophobicContact CD2-CB 4.2Å; F192-F377 HydrophobicContact CE1-CB 3.81Å; F192-F377 HydrophobicContact CE2-CB 3.71Å; F192-F377 HydrophobicContact CE2-CD2 4.24Å; F192-F377 HydrophobicContact CE2-CG 4.29Å; F192-F377 HydrophobicContact CG-CB 4.47Å; F192-F377 HydrophobicContact CZ-CB 3.49Å; F192-F377 VanDerWaalsContact CZ-CB 3.49Å; F192-F377 HydrophobicContact CZ-CG 4.41Å; F192-F377 PolarHBondContact N-O 2.9Å; F192-F377 PolarHBondContact O-N 3.16Å; F192-R379 HydrophobicContact CD1-CG 4.24Å; F192-R379 HydrophobicContact CE1-CG 4.22Å; F192-L414 HydrophobicContact CE1-CD2 3.81Å; F192-L414 HydrophobicContact CZ-CD2 3.78Å
193	V	92.2	Very high	87.6	Confident	10 Å²	10	39 Å²	39	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.8	167.2	-175.9	0	0	0	0	108.3	Q195 R203 Q374 L376	V193-Q195 HydrophobicContact CG1-CG 3.82Å; V193-R203 PolarHBondContact N-O 3.42Å; V193-R203 PolarHBondContact O-N 2.89Å; V193-Q374 HydrophobicContact CG2-CG 3.92Å; V193-L376 HydrophobicContact CG2-CD2 3.79Å
194	Y	90.3	Very high	87.6	Confident	5 Å²	5	40 Å²	40	2%	0.02	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.7	170	-179	-95.8	0	0	0	110.3	K196 E201 F202 P355 M358 R359 T362	Y194-K196 HydrophobicContact CE1-CB 4.01Å; Y194-E201 WeakPolarHBondContact CA-O 3.47Å; Y194-E201 HydrophobicContact CD2-CB 4.34Å; Y194-E201 HydrophobicContact CE2-CB 3.76Å; Y194-E201 PolarHBondContact OH-OE1 2.93Å; Y194-E201 PolarHBondContact OH-OE2 3.43Å; Y194-F202 HydrophobicContact CD2-CD1 4.22Å; Y194-F202 HydrophobicContact CD2-CD2 4.5Å; Y194-F202 AromaticContact CD2-CE1 3.97Å; Y194-F202 HydrophobicContact CD2-CE1 3.97Å; Y194-F202 HydrophobicContact CD2-CE2 4.25Å; Y194-F202 HydrophobicContact CD2-CG 4.47Å; Y194-F202 AromaticContact CD2-CZ 3.98Å; Y194-F202 HydrophobicContact CD2-CZ 3.98Å; Y194-F202 HydrophobicContact CE2-CE1 4.44Å; Y194-F202 HydrophobicContact CE2-CE2 4.03Å; Y194-F202 AromaticContact CE2-CZ 3.98Å; Y194-F202 HydrophobicContact CE2-CZ 3.98Å; Y194-P355 HydrophobicContact CE1-CB 4.36Å; Y194-P355 WeakPolarHBondContact CE1-O 3.23Å; Y194-P355 HydrophobicContact CE2-CB 4.16Å; Y194-P355 WeakPolarHBondContact OH-CB 3.24Å; Y194-M358 HydrophobicContact CD1-CB 3.69Å; Y194-M358 HydrophobicContact CD2-CE 3.93Å; Y194-M358 HydrophobicContact CE2-CE 4.42Å; Y194-M358 HydrophobicContact CG-CB 3.78Å; Y194-M358 HydrophobicContact CG-CE 4.13Å; Y194-M358 HydrophobicContact CG-SD 4.46Å; Y194-R359 HydrophobicContact CD1-CB 4.27Å; Y194-R359 HydrophobicContact CE1-CB 3.85Å; Y194-T362 WeakPolarHBondContact O-CG2 3.13Å; Y194-T362 PolarHBondContact O-OG1 2.95Å
195	Q	85.7	Confident	87.4	Confident	62 Å²	62	43 Å²	43	29%	0.29	21%	0.21	S	C	.	.			trans	-123.9	105.9	177.2	-62.4	-173	-26.2	0	0	109.6	V193 S198 E201	V193-Q195 HydrophobicContact CG1-CG 3.82Å; Q195-S198 VanDerWaalsContact CB-OG 3.32Å; Q195-S198 WeakPolarHBondContact CB-OG 3.46Å; Q195-S198 WeakPolarHBondContact O-CB 3.28Å; Q195-S198 PolarHBondContact O-N 2.99Å; Q195-S198 PolarHBondContact O-OG 3.26Å; Q195-E201 PolarHBondContact N-O 3.25Å; Q195-E201 WeakPolarHBondContact O-CA 3.31Å
196	K	80.8	Confident	87	Confident	83 Å²	83	40.2 Å²	40.2	36%	0.361	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	145.7	177.8	-164.4	-162.2	164.2	178.2	0	110.7	Y194 S198 R359	Y194-K196 HydrophobicContact CE1-CB 4.01Å; K196-S198 PolarHBondContact O-N 3.05Å; K196-S198 VanDerWaalsContact O-N 3.16Å; K196-R359 HydrophobicContact CB-CB 4.49Å; K196-R359 HydrophobicContact CB-CG 3.82Å; K196-R359 HydrophobicContact CD-CG 4.22Å; K196-R359 VanDerWaalsContact NZ-NH1 3.16Å
197	D	79.8	Confident	86.4	Confident	125 Å²	125	41.3 Å²	41.3	67%	0.668	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	12.3	176.1	-48.4	-57.4	0	0	0	112.4	R359	D197-R359 IonicContact OD2-NH2 3.85Å
198	S	79.9	Confident	85.5	Confident	35 Å²	35	44.9 Å²	44.9	25%	0.245	22%	0.224	C	C	.	.	S	Bend	trans	-94.5	148.5	167.4	-55.2	0	0	0	0	109.2	Q195 K196 P200 E201	Q195-S198 VanDerWaalsContact CB-OG 3.32Å; Q195-S198 WeakPolarHBondContact CB-OG 3.46Å; Q195-S198 WeakPolarHBondContact O-CB 3.28Å; Q195-S198 PolarHBondContact O-N 2.99Å; Q195-S198 PolarHBondContact O-OG 3.26Å; K196-S198 PolarHBondContact O-N 3.05Å; K196-S198 VanDerWaalsContact O-N 3.16Å; S198-P200 VanDerWaalsContact C-C 3.48Å; S198-P200 CarbonylContact C-O 3.57Å; S198-P200 VanDerWaalsContact CB-O 3.32Å; S198-P200 WeakPolarHBondContact CB-O 3.02Å; S198-P200 CarbonylContact O-C 3.55Å; S198-E201 VanDerWaalsContact O-CG 3.32Å; S198-E201 WeakPolarHBondContact O-CG 3.33Å; S198-E201 PolarHBondContact O-N 3.08Å; S198-E201 VanDerWaalsContact O-N 3.14Å
199	D	76.1	Confident	84.7	Confident	136 Å²	136	46.6 Å²	46.6	73%	0.727	24%	0.235	S	C	*	.	S	Bend	trans	-116.9	102.1	170.7	-166.9	12.5	0	0	0	106.9
200	P	82.9	Confident	84.2	Confident	7 Å²	7	52.1 Å²	52.1	5%	0.045	26%	0.26	C	S	.	.	S	Bend	cis	-81.8	160	5.7	40.8	-45.3	0	0	0	113	S198 R203 T464 D465	S198-P200 VanDerWaalsContact C-C 3.48Å; S198-P200 CarbonylContact C-O 3.57Å; S198-P200 VanDerWaalsContact CB-O 3.32Å; S198-P200 WeakPolarHBondContact CB-O 3.02Å; S198-P200 CarbonylContact O-C 3.55Å; P200-R203 HydrophobicContact CG-CG 4.04Å; P200-T464 HydrophobicContact CB-CG2 3.91Å; P200-D465 WeakPolarHBondContact CB-OD1 3.46Å; P200-D465 WeakPolarHBondContact CD-OD1 3.5Å; P200-D465 WeakPolarHBondContact CD-OD2 3.49Å; P200-D465 WeakPolarHBondContact CG-OD1 3.33Å
201	E	86.8	Confident	84	Confident	65 Å²	65	52.4 Å²	52.4	30%	0.304	26%	0.262	S	S	.	.	S	Bend	trans	-77.4	-28.5	172.3	-64.8	-165.3	137	0	0	113.1	Y194 Q195 S198	Y194-E201 WeakPolarHBondContact CA-O 3.47Å; Y194-E201 HydrophobicContact CD2-CB 4.34Å; Y194-E201 HydrophobicContact CE2-CB 3.76Å; Y194-E201 PolarHBondContact OH-OE1 2.93Å; Y194-E201 PolarHBondContact OH-OE2 3.43Å; Q195-E201 PolarHBondContact N-O 3.25Å; Q195-E201 WeakPolarHBondContact O-CA 3.31Å; S198-E201 VanDerWaalsContact O-CG 3.32Å; S198-E201 WeakPolarHBondContact O-CG 3.33Å; S198-E201 PolarHBondContact O-N 3.08Å; S198-E201 VanDerWaalsContact O-N 3.14Å
202	F	90.3	Very high	83.9	Confident	7 Å²	7	54.3 Å²	54.3	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	115.7	-178.6	-64.2	-98.2	0	0	0	109.2	F192 Y194 F204 M358 L414 F521	F192-F202 AromaticContact CD2-CD1 3.75Å; F192-F202 HydrophobicContact CD2-CD1 3.75Å; F192-F202 HydrophobicContact CD2-CE1 4.5Å; F192-F202 AromaticContact CE2-CD1 3.52Å; F192-F202 HydrophobicContact CE2-CD1 3.52Å; F192-F202 AromaticContact CE2-CE1 3.83Å; F192-F202 HydrophobicContact CE2-CE1 3.83Å; F192-F202 HydrophobicContact CZ-CD1 4.24Å; F192-F202 HydrophobicContact CZ-CE1 4.34Å; Y194-F202 HydrophobicContact CD2-CD1 4.22Å; Y194-F202 HydrophobicContact CD2-CD2 4.5Å; Y194-F202 AromaticContact CD2-CE1 3.97Å; Y194-F202 HydrophobicContact CD2-CE1 3.97Å; Y194-F202 HydrophobicContact CD2-CE2 4.25Å; Y194-F202 HydrophobicContact CD2-CG 4.47Å; Y194-F202 AromaticContact CD2-CZ 3.98Å; Y194-F202 HydrophobicContact CD2-CZ 3.98Å; Y194-F202 HydrophobicContact CE2-CE1 4.44Å; Y194-F202 HydrophobicContact CE2-CE2 4.03Å; Y194-F202 AromaticContact CE2-CZ 3.98Å; Y194-F202 HydrophobicContact CE2-CZ 3.98Å; F202-F204 HydrophobicContact CB-CE2 3.95Å; F202-F204 HydrophobicContact CB-CZ 4.22Å; F202-M358 HydrophobicContact CE1-CE 3.85Å; F202-M358 HydrophobicContact CZ-CE 4.17Å; F202-L414 HydrophobicContact CD1-CD2 4.21Å; F202-L414 HydrophobicContact CE1-CD2 4.11Å; F202-F521 HydrophobicContact CB-CB 4.03Å; F202-F521 HydrophobicContact CB-CG 4.47Å; F202-F521 HydrophobicContact CD2-CB 4.27Å; F202-F521 AromaticContact CD2-CD1 3.73Å; F202-F521 HydrophobicContact CD2-CD1 3.73Å; F202-F521 HydrophobicContact CD2-CD2 4.25Å; F202-F521 HydrophobicContact CD2-CE1 4.18Å; F202-F521 AromaticContact CD2-CG 3.8Å; F202-F521 HydrophobicContact CD2-CG 3.8Å; F202-F521 HydrophobicContact CE2-CD1 4.01Å; F202-F521 HydrophobicContact CE2-CD2 4.25Å; F202-F521 AromaticContact CE2-CE1 3.99Å; F202-F521 HydrophobicContact CE2-CE1 3.99Å; F202-F521 HydrophobicContact CE2-CE2 4.24Å; F202-F521 HydrophobicContact CE2-CG 4.16Å; F202-F521 HydrophobicContact CE2-CZ 4.13Å; F202-F521 HydrophobicContact CG-CB 4.13Å; F202-F521 HydrophobicContact CG-CD1 4.43Å; F202-F521 HydrophobicContact CG-CD2 4.42Å; F202-F521 HydrophobicContact CG-CG 4.05Å; F202-F521 HydrophobicContact CZ-CD2 4.39Å; F202-F521 HydrophobicContact CZ-CE2 4.31Å
203	R	90.4	Very high	84	Confident	111 Å²	111	57.1 Å²	57.1	42%	0.419	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	99.6	179.4	-67.2	-174.3	179.4	-172.9	-1.6	110.7	F192 V193 P200	F192-R203 CarbonylContact C-O 3.54Å; F192-R203 VanDerWaalsContact CA-O 3.25Å; F192-R203 WeakPolarHBondContact CA-O 3.43Å; F192-R203 WeakPolarHBondContact CB-O 3.43Å; V193-R203 PolarHBondContact N-O 3.42Å; V193-R203 PolarHBondContact O-N 2.89Å; P200-R203 HydrophobicContact CG-CG 4.04Å
204	F	91.4	Very high	84.2	Confident	23 Å²	23	56.7 Å²	56.7	10%	0.101	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	145.1	-177.9	-64.2	-81.8	0	0	0	112	H189 A191 F192 F202 R379 F521 G524	H189-F204 HydrophobicContact CB-CB 3.81Å; H189-F204 HydrophobicContact CB-CD1 4.01Å; H189-F204 HydrophobicContact CB-CG 4.04Å; H189-F204 WeakPolarHBondContact O-CD1 3.16Å; A191-F204 WeakPolarHBondContact O-CA 3.32Å; F192-F204 HydrophobicContact CB-CD1 3.55Å; F192-F204 HydrophobicContact CB-CE1 3.82Å; F192-F204 HydrophobicContact CB-CG 4.09Å; F192-F204 HydrophobicContact CD1-CD1 4.18Å; F192-F204 AromaticContact CD1-CE1 3.76Å; F192-F204 HydrophobicContact CD1-CE1 3.76Å; F192-F204 HydrophobicContact CG-CD1 4.16Å; F192-F204 AromaticContact CG-CE1 3.92Å; F192-F204 HydrophobicContact CG-CE1 3.92Å; F202-F204 HydrophobicContact CB-CE2 3.95Å; F202-F204 HydrophobicContact CB-CZ 4.22Å; F204-R379 HydrophobicContact CE1-CG 3.88Å; F204-F521 HydrophobicContact CE2-CB 3.67Å; F204-F521 HydrophobicContact CZ-CB 3.87Å; F204-F521 WeakPolarHBondContact CZ-O 3.42Å; F204-G524 VanDerWaalsContact CD2-C 3.43Å; F204-G524 WeakPolarHBondContact CE2-O 3.25Å
205	Q	87.1	Confident	84.6	Confident	71 Å²	71	56.4 Å²	56.4	33%	0.332	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-94.1	142.6	172.9	-58.3	-61.9	-57	0	0	109.1	H189 A191 L376	H189-Q205 WeakPolarHBondContact CA-O 3.48Å; A191-Q205 HydrophobicContact CB-CB 4.46Å; A191-Q205 PolarHBondContact O-N 3.48Å; Q205-L376 HydrophobicContact CG-CD2 3.87Å
206	T	79.4	Confident	85.1	Confident	41 Å²	41	53.5 Å²	53.5	25%	0.252	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-71.1	159.9	166.3	46.2	0	0	0	0	110.3	H208 V457	T206-H208 PolarHBondContact O-N 3.13Å; T206-H208 VanDerWaalsContact O-N 3.14Å; T206-V457 HydrophobicContact CG2-CG2 4.12Å
207	N	73.5	Confident	85.8	Confident	42 Å²	42	49.6 Å²	49.6	23%	0.225	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-68.3	116.9	-178	-73.7	24.1	0	0	0	109.7	L184 K185 I187 P188 H189	L184-N207 PolarHBondContact O-ND2 3.22Å; K185-N207 PolarHBondContact O-ND2 3.15Å; I187-N207 PolarHBondContact O-ND2 3.46Å; I187-N207 PolarHBondContact O-OD1 3.23Å; I187-N207 VanDerWaalsContact O-OD1 3.04Å; P188-N207 VanDerWaalsContact CA-OD1 3.25Å; P188-N207 WeakPolarHBondContact CA-OD1 3.48Å; H189-N207 PolarHBondContact N-OD1 2.92Å
208	H	70.1	Confident	86.5	Confident	75 Å²	75	44.9 Å²	44.9	35%	0.347	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-82	129.1	178.3	-161.5	-87.4	0	0	0	109.9	T206 H210 I211 P454	T206-H208 PolarHBondContact O-N 3.13Å; T206-H208 VanDerWaalsContact O-N 3.14Å; H208-H210 PolarHBondContact CE1-O 2.99Å; H208-H210 WeakPolarHBondContact ND1-CA 3.28Å; H208-H210 PolarHBondContact ND1-N 3.17Å; H208-H210 PolarHBondContact ND1-O 3.44Å; H208-H210 PolarHBondContact O-N 2.9Å; H208-H210 VanDerWaalsContact O-N 3.1Å; H208-I211 WeakPolarHBondContact O-CG2 3.16Å; H208-P454 WeakPolarHBondContact NE2-CB 3.15Å
209	P	70.5	Confident	87	Confident	55 Å²	55	43.2 Å²	43.2	36%	0.357	22%	0.216	S	C	.	.	S	Bend	trans	-62.2	-21.5	177.9	24.2	-32.9	0	0	0	112.7	P454	P209-P454 HydrophobicContact CG-CG 3.87Å
210	H	80.6	Confident	87.5	Confident	131 Å²	131	38.3 Å²	38.3	61%	0.606	20%	0.197	S	C	*	.			trans	-121.4	84.1	177.7	-53.2	-62.9	0	0	0	111.6	H208 F212 R343	H208-H210 PolarHBondContact CE1-O 2.99Å; H208-H210 WeakPolarHBondContact ND1-CA 3.28Å; H208-H210 PolarHBondContact ND1-N 3.17Å; H208-H210 PolarHBondContact ND1-O 3.44Å; H208-H210 PolarHBondContact O-N 2.9Å; H208-H210 VanDerWaalsContact O-N 3.1Å; H210-F212 VanDerWaalsContact C-N 3.25Å; H210-F212 PolarHBondContact O-N 3.05Å; H210-R343 PolarHBondContact O-NH1 2.95Å; H210-R343 VanDerWaalsContact O-NH1 3.08Å
211	I	88.3	Confident	87.5	Confident	7 Å²	7	41.5 Å²	41.5	4%	0.036	22%	0.22	C	C	.	.			trans	-71.7	-19.8	180	63.7	171.1	0	0	0	113.2	N181 L184 K185 H208 Y214 R343	N181-I211 HydrophobicContact CB-CD1 4.26Å; L184-I211 HydrophobicContact CB-CD1 4.22Å; L184-I211 HydrophobicContact CB-CG2 4.2Å; L184-I211 HydrophobicContact CD1-CD1 4.35Å; K185-I211 HydrophobicContact CG-CD1 4.19Å; H208-I211 WeakPolarHBondContact O-CG2 3.16Å; I211-Y214 HydrophobicContact CD1-CE1 4.43Å; I211-Y214 VanDerWaalsContact O-CD1 3.3Å; I211-Y214 WeakPolarHBondContact O-CD1 3.47Å; I211-R343 PolarHBondContact O-NH1 3.14Å; I211-R343 PolarHBondContact O-NH2 2.93Å; I211-R343 VanDerWaalsContact O-NH2 3.09Å
212	F	93.1	Very high	87.6	Confident	48 Å²	48	39.8 Å²	39.8	21%	0.211	22%	0.219	C	C	.	.			trans	-95.8	158.7	-177.3	-51.8	-72.3	0	0	0	112.9	N181 H210 Y214 V228 E229 T230 E231 R343	N181-F212 WeakPolarHBondContact OD1-CE1 3.33Å; H210-F212 VanDerWaalsContact C-N 3.25Å; H210-F212 PolarHBondContact O-N 3.05Å; F212-Y214 AromaticContact CD1-CD1 3.88Å; F212-Y214 HydrophobicContact CD1-CD1 3.88Å; F212-Y214 AromaticContact CD1-CE1 3.65Å; F212-Y214 HydrophobicContact CD1-CE1 3.65Å; F212-Y214 HydrophobicContact CE1-CD1 4.34Å; F212-Y214 AromaticContact CE1-CE1 3.64Å; F212-Y214 HydrophobicContact CE1-CE1 3.64Å; F212-V228 HydrophobicContact CD1-CG1 3.83Å; F212-V228 HydrophobicContact CE1-CG1 3.62Å; F212-E229 WeakPolarHBondContact CB-O 3.24Å; F212-T230 VanDerWaalsContact CE1-C 3.47Å; F212-T230 WeakPolarHBondContact CE1-O 3.38Å; F212-E231 HydrophobicContact CZ-CB 4.41Å; F212-R343 VanDerWaalsContact C-NH2 3.34Å; F212-R343 PolarHBondContact O-NH2 3.33Å
213	P	95.3	Very high	87.7	Confident	61 Å²	61	39.8 Å²	39.8	40%	0.396	22%	0.22	S	C	.	.	S	Bend	cis	-74.2	159.1	-16.4	34.2	-35.4	0	0	0	111	V228 L341 R343	P213-V228 VanDerWaalsContact CA-O 3.26Å; P213-V228 WeakPolarHBondContact CA-O 3.37Å; P213-L341 HydrophobicContact CB-CD2 3.75Å; P213-L341 HydrophobicContact CG-CD2 3.66Å; P213-R343 PolarHBondContact O-NH2 2.97Å
214	Y	96.1	Very high	87.9	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	162.8	174.8	67.7	-96.5	0	0	0	112	N181 I211 F212 L216 V228 Y345	N181-Y214 WeakPolarHBondContact OD1-CE1 3.45Å; N181-Y214 PolarHBondContact OD1-OH 2.69Å; I211-Y214 HydrophobicContact CD1-CE1 4.43Å; I211-Y214 VanDerWaalsContact O-CD1 3.3Å; I211-Y214 WeakPolarHBondContact O-CD1 3.47Å; F212-Y214 AromaticContact CD1-CD1 3.88Å; F212-Y214 HydrophobicContact CD1-CD1 3.88Å; F212-Y214 AromaticContact CD1-CE1 3.65Å; F212-Y214 HydrophobicContact CD1-CE1 3.65Å; F212-Y214 HydrophobicContact CE1-CD1 4.34Å; F212-Y214 AromaticContact CE1-CE1 3.64Å; F212-Y214 HydrophobicContact CE1-CE1 3.64Å; Y214-L216 HydrophobicContact CD2-CB 4.44Å; Y214-L216 HydrophobicContact CE2-CB 4.03Å; Y214-V228 HydrophobicContact CD1-CB 4.12Å; Y214-V228 HydrophobicContact CD1-CG1 4.44Å; Y214-V228 HydrophobicContact CD2-CB 4.15Å; Y214-V228 HydrophobicContact CD2-CG2 4.14Å; Y214-V228 HydrophobicContact CE1-CB 3.81Å; Y214-V228 HydrophobicContact CE1-CG1 3.77Å; Y214-V228 HydrophobicContact CE1-CG2 4.37Å; Y214-V228 HydrophobicContact CE2-CB 3.86Å; Y214-V228 HydrophobicContact CE2-CG1 4.45Å; Y214-V228 HydrophobicContact CE2-CG2 3.58Å; Y214-V228 HydrophobicContact CG-CB 4.3Å; Y214-V228 PolarHBondContact N-O 3.15Å; Y214-V228 PolarHBondContact O-N 3.23Å; Y214-Y345 HydrophobicContact CD1-CE2 4.32Å; Y214-Y345 AromaticContact CD2-CD2 3.45Å; Y214-Y345 HydrophobicContact CD2-CD2 3.45Å; Y214-Y345 VanDerWaalsContact CD2-CD2 3.45Å; Y214-Y345 AromaticContact CD2-CE2 3.98Å; Y214-Y345 HydrophobicContact CD2-CE2 3.98Å; Y214-Y345 HydrophobicContact CD2-CG 4.49Å; Y214-Y345 HydrophobicContact CE2-CD2 4.1Å; Y214-Y345 AromaticContact CG-CD2 3.72Å; Y214-Y345 HydrophobicContact CG-CD2 3.72Å; Y214-Y345 AromaticContact CG-CE2 3.75Å; Y214-Y345 HydrophobicContact CG-CE2 3.75Å
215	L	97.6	Very high	88.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.2	170.6	-161.6	74.5	0	0	0	109.5	V217 I225 V226 K227 V237 H335 A336 L341 R343 V344 Y345	L215-V217 HydrophobicContact CD2-CG2 4.13Å; L215-V217 HydrophobicContact CG-CG2 4.42Å; L215-I225 HydrophobicContact CD1-CG2 3.78Å; L215-I225 HydrophobicContact CD2-CG2 3.83Å; L215-I225 HydrophobicContact CG-CG2 3.89Å; L215-V226 CarbonylContact C-O 3.31Å; L215-V226 WeakPolarHBondContact CA-O 3.27Å; L215-K227 HydrophobicContact CD1-CB 4.38Å; L215-V237 HydrophobicContact CD1-CG2 4.05Å; L215-H335 HydrophobicContact CD2-CB 4.05Å; L215-A336 HydrophobicContact CD2-CB 4.19Å; L215-L341 HydrophobicContact CB-CD1 3.98Å; L215-L341 HydrophobicContact CD1-CD1 4.11Å; L215-R343 PolarHBondContact N-O 3.03Å; L215-V344 HydrophobicContact CB-CB 4.49Å; L215-V344 HydrophobicContact CB-CG1 4.33Å; L215-V344 HydrophobicContact CB-CG2 4.1Å; L215-V344 HydrophobicContact CD2-CG1 4.17Å; L215-V344 HydrophobicContact CD2-CG2 4.06Å; L215-V344 CarbonylContact O-C 3.59Å; L215-V344 WeakPolarHBondContact O-CA 3.38Å; L215-Y345 PolarHBondContact O-N 3.01Å
216	L	97.1	Very high	88.7	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	122.9	169.3	-173.3	65.2	0	0	0	109.7	L176 I177 C180 Y214 I225 V226 Y345	L176-L216 HydrophobicContact CD2-CD2 3.51Å; L176-L216 HydrophobicContact CD2-CG 4.46Å; L176-L216 HydrophobicContact CG-CD2 3.83Å; I177-L216 HydrophobicContact CD1-CB 4.29Å; I177-L216 HydrophobicContact CD1-CD2 3.39Å; I177-L216 HydrophobicContact CD1-CG 4.48Å; C180-L216 HydrophobicContact CB-CD2 4.42Å; Y214-L216 HydrophobicContact CD2-CB 4.44Å; Y214-L216 HydrophobicContact CE2-CB 4.03Å; L216-I225 WeakPolarHBondContact O-CA 3.43Å; L216-V226 PolarHBondContact N-O 3.31Å; L216-V226 PolarHBondContact O-N 3.4Å; L216-Y345 WeakPolarHBondContact CA-O 3.26Å
217	V	96.5	Very high	89.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	101	174	-178.8	0	0	0	0	108	L215 I219 V223 I225 I328 A332 V344 Y345 F346 G347	L215-V217 HydrophobicContact CD2-CG2 4.13Å; L215-V217 HydrophobicContact CG-CG2 4.42Å; V217-I219 HydrophobicContact CG1-CG1 4.25Å; V217-V223 HydrophobicContact CG1-CG1 3.83Å; V217-I225 HydrophobicContact CG1-CG1 4.43Å; V217-I225 HydrophobicContact CG2-CG1 4.38Å; V217-I225 HydrophobicContact CG2-CG2 4.28Å; V217-I328 HydrophobicContact CG1-CG2 4.03Å; V217-A332 HydrophobicContact CG2-CB 3.79Å; V217-V344 HydrophobicContact CB-CG1 4.39Å; V217-V344 HydrophobicContact CG2-CG1 3.56Å; V217-Y345 PolarHBondContact N-O 3.32Å; V217-F346 HydrophobicContact CB-CD1 3.74Å; V217-F346 HydrophobicContact CB-CE1 3.83Å; V217-F346 HydrophobicContact CG1-CD1 3.85Å; V217-F346 HydrophobicContact CG1-CE1 3.8Å; V217-F346 HydrophobicContact CG2-CD1 4.48Å; V217-F346 HydrophobicContact CG2-CE1 4.14Å; V217-F346 WeakPolarHBondContact O-CA 3.03Å; V217-G347 PolarHBondContact O-N 3.29Å
218	N	93.3	Very high	90.7	Very high	27 Å²	27	29.4 Å²	29.4	14%	0.144	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.4	-179.1	-171.5	35.3	0	0	0	111	L176 V223 S224 G348	L176-N218 HydrophobicContact CD2-CB 3.52Å; L176-N218 VanDerWaalsContact CD2-CG 3.44Å; L176-N218 WeakPolarHBondContact CD2-ND2 3.24Å; N218-V223 WeakPolarHBondContact O-CA 3.41Å; N218-S224 PolarHBondContact N-O 2.77Å; N218-S224 PolarHBondContact O-N 2.83Å; N218-G348 VanDerWaalsContact OD1-CA 3.25Å; N218-G348 WeakPolarHBondContact OD1-CA 3.22Å; N218-G348 PolarHBondContact OD1-N 2.84Å
219	I	91.4	Very high	91.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	90.8	-177	-44.4	171.6	0	0	0	109.4	V217 V223 I328 F346 G347 G348 F349 F350 I351 I361	V217-I219 HydrophobicContact CG1-CG1 4.25Å; I219-V223 HydrophobicContact CG2-CG2 4.26Å; I219-I328 HydrophobicContact CD1-CD1 4.08Å; I219-I328 HydrophobicContact CD1-CG2 3.88Å; I219-I328 HydrophobicContact CG1-CD1 4.3Å; I219-I328 HydrophobicContact CG1-CG2 4.27Å; I219-I328 HydrophobicContact CG2-CD1 3.76Å; I219-F346 HydrophobicContact CD1-CD1 4.12Å; I219-G347 PolarHBondContact N-O 2.81Å; I219-G348 CarbonylContact O-C 3.37Å; I219-G348 VanDerWaalsContact O-C 3.3Å; I219-G348 WeakPolarHBondContact O-CA 3.34Å; I219-F349 PolarHBondContact O-N 3.39Å; I219-F350 HydrophobicContact CB-CB 3.85Å; I219-F350 HydrophobicContact CB-CD1 4.39Å; I219-F350 HydrophobicContact CB-CG 4.5Å; I219-F350 HydrophobicContact CD1-CD1 4.16Å; I219-F350 HydrophobicContact CG2-CB 3.37Å; I219-F350 HydrophobicContact CG2-CD1 3.62Å; I219-F350 HydrophobicContact CG2-CG 3.64Å; I219-F350 PolarHBondContact O-N 2.83Å; I219-I351 HydrophobicContact CD1-CD1 4.15Å; I219-I351 HydrophobicContact CD1-CG1 4.14Å; I219-I361 HydrophobicContact CD1-CD1 3.76Å
220	G	85.3	Confident	93	Very high	32 Å²	32	28.8 Å²	28.8	33%	0.33	17%	0.172	S	C	.	.	S	Bend	trans	-101.2	-135.6	172	0	0	0	0	0	111.4	G222 G244	G220-G222 VanDerWaalsContact C-N 3.32Å; G220-G222 CarbonylContact C-O 3.57Å; G220-G222 VanDerWaalsContact C-O 3.28Å; G220-G222 WeakPolarHBondContact CA-O 3.44Å; G220-G222 PolarHBondContact N-O 2.81Å; G220-G244 WeakPolarHBondContact O-CA 3.42Å; G220-G244 PolarHBondContact O-N 3.2Å
221	S	83.5	Confident	93.3	Very high	75 Å²	75	24.1 Å²	24.1	52%	0.524	15%	0.151	S	C	.	.	S	Bend	trans	-59.8	-45	170.6	-58.4	0	0	0	0	111.3	G243 G244 G245	S221-G243 CarbonylContact O-C 3.55Å; S221-G243 WeakPolarHBondContact O-CA 3.4Å; S221-G244 PolarHBondContact O-N 3.41Å; S221-G245 WeakPolarHBondContact O-CA 3.43Å; S221-G245 PolarHBondContact O-N 2.82Å
222	G	88.7	Confident	93.3	Very high	28 Å²	28	29.3 Å²	29.3	29%	0.289	18%	0.178	S	C	.	.	S	Bend	trans	-111.3	-159.1	164	0	0	0	0	0	110.8	G220 S240	G220-G222 VanDerWaalsContact C-N 3.32Å; G220-G222 CarbonylContact C-O 3.57Å; G220-G222 VanDerWaalsContact C-O 3.28Å; G220-G222 WeakPolarHBondContact CA-O 3.44Å; G220-G222 PolarHBondContact N-O 2.81Å; G222-S240 CarbonylContact C-O 3.4Å
223	V	93.2	Very high	93.3	Very high	8 Å²	8	33.8 Å²	33.8	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.1	-177.1	-174.8	0	0	0	0	109.6	V217 N218 I219 I225 G239 S240 I242 I328	V217-V223 HydrophobicContact CG1-CG1 3.83Å; N218-V223 WeakPolarHBondContact O-CA 3.41Å; I219-V223 HydrophobicContact CG2-CG2 4.26Å; V223-I225 HydrophobicContact CG1-CG1 4.24Å; V223-G239 CarbonylContact O-C 3.52Å; V223-G239 WeakPolarHBondContact O-CA 3.4Å; V223-S240 PolarHBondContact N-O 2.83Å; V223-S240 PolarHBondContact O-N 2.87Å; V223-I242 WeakPolarHBondContact CG2-O 3.48Å; V223-I328 HydrophobicContact CG2-CD1 3.83Å; V223-I328 HydrophobicContact CG2-CG1 3.89Å
224	S	94.3	Very high	93.4	Very high	34 Å²	34	33.8 Å²	33.8	24%	0.238	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133	171.2	-65.2	0	0	0	0	109.7	N218	N218-S224 PolarHBondContact N-O 2.77Å; N218-S224 PolarHBondContact O-N 2.83Å
225	I	97.3	Very high	93.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	-180	-53.5	178.1	0	0	0	107.9	L215 L216 V217 V223 V237 G238 L331 H335	L215-I225 HydrophobicContact CD1-CG2 3.78Å; L215-I225 HydrophobicContact CD2-CG2 3.83Å; L215-I225 HydrophobicContact CG-CG2 3.89Å; L216-I225 WeakPolarHBondContact O-CA 3.43Å; V217-I225 HydrophobicContact CG1-CG1 4.43Å; V217-I225 HydrophobicContact CG2-CG1 4.38Å; V217-I225 HydrophobicContact CG2-CG2 4.28Å; V223-I225 HydrophobicContact CG1-CG1 4.24Å; I225-V237 HydrophobicContact CB-CG2 4.36Å; I225-V237 HydrophobicContact CG2-CG2 3.77Å; I225-V237 WeakPolarHBondContact O-CG2 3.21Å; I225-V237 PolarHBondContact O-N 3.13Å; I225-G238 WeakPolarHBondContact CA-O 3.44Å; I225-G238 WeakPolarHBondContact CB-O 3.37Å; I225-G238 PolarHBondContact N-O 3.23Å; I225-G238 PolarHBondContact O-N 3.46Å; I225-L331 HydrophobicContact CD1-CB 3.98Å; I225-H335 HydrophobicContact CG2-CB 4.05Å
226	V	97.4	Very high	93.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.1	-174.6	-172.8	0	0	0	0	109.8	M173 I177 L215 L216 V228 F234 E235	M173-V226 HydrophobicContact CE-CG2 3.11Å; I177-V226 HydrophobicContact CD1-CB 4.32Å; I177-V226 HydrophobicContact CD1-CG1 4.03Å; I177-V226 HydrophobicContact CG1-CG1 4.33Å; L215-V226 CarbonylContact C-O 3.31Å; L215-V226 WeakPolarHBondContact CA-O 3.27Å; L216-V226 PolarHBondContact N-O 3.31Å; L216-V226 PolarHBondContact O-N 3.4Å; V226-V228 HydrophobicContact CG1-CG2 4.13Å; V226-F234 HydrophobicContact CG1-CB 3.88Å; V226-F234 HydrophobicContact CG1-CD2 3.9Å; V226-F234 HydrophobicContact CG1-CG 4.29Å; V226-E235 CarbonylContact C-O 3.57Å; V226-E235 VanDerWaalsContact CA-O 3.32Å; V226-E235 WeakPolarHBondContact CA-O 3.43Å; V226-E235 VanDerWaalsContact CG1-O 3.31Å; V226-E235 WeakPolarHBondContact CG1-O 3.25Å
227	K	97.8	Very high	93.3	Very high	33 Å²	33	47.5 Å²	47.5	14%	0.143	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.6	166.9	175.5	-179.5	177.4	-153.9	0	108.6	L215 E229 F234 E235 V237 H339 L341	L215-K227 HydrophobicContact CD1-CB 4.38Å; K227-E229 HydrophobicContact CD-CG 4.37Å; K227-E229 WeakPolarHBondContact CE-OE1 3.29Å; K227-E229 HydrophobicContact CG-CG 4.19Å; K227-E229 IonicContact NZ-OE1 3.5Å; K227-E229 PolarHBondContact NZ-OE1 2.97Å; K227-F234 CarbonylContact O-C 3.43Å; K227-F234 WeakPolarHBondContact O-CA 3.3Å; K227-F234 WeakPolarHBondContact O-CB 3.29Å; K227-E235 PolarHBondContact N-O 2.98Å; K227-E235 PolarHBondContact O-N 3Å; K227-V237 HydrophobicContact CB-CG1 3.68Å; K227-V237 HydrophobicContact CB-CG2 4.38Å; K227-H339 HydrophobicContact CD-CB 4.14Å; K227-L341 HydrophobicContact CG-CD1 4.17Å
228	V	97.3	Very high	93.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.8	178.6	-170.7	0	0	0	0	108.8	I177 F212 P213 Y214 V226 T230 F234	I177-V228 HydrophobicContact CD1-CG2 3.56Å; I177-V228 HydrophobicContact CG1-CG2 4.18Å; I177-V228 HydrophobicContact CG2-CG1 3.85Å; I177-V228 HydrophobicContact CG2-CG2 4.2Å; F212-V228 HydrophobicContact CD1-CG1 3.83Å; F212-V228 HydrophobicContact CE1-CG1 3.62Å; P213-V228 VanDerWaalsContact CA-O 3.26Å; P213-V228 WeakPolarHBondContact CA-O 3.37Å; Y214-V228 HydrophobicContact CD1-CB 4.12Å; Y214-V228 HydrophobicContact CD1-CG1 4.44Å; Y214-V228 HydrophobicContact CD2-CB 4.15Å; Y214-V228 HydrophobicContact CD2-CG2 4.14Å; Y214-V228 HydrophobicContact CE1-CB 3.81Å; Y214-V228 HydrophobicContact CE1-CG1 3.77Å; Y214-V228 HydrophobicContact CE1-CG2 4.37Å; Y214-V228 HydrophobicContact CE2-CB 3.86Å; Y214-V228 HydrophobicContact CE2-CG1 4.45Å; Y214-V228 HydrophobicContact CE2-CG2 3.58Å; Y214-V228 HydrophobicContact CG-CB 4.3Å; Y214-V228 PolarHBondContact N-O 3.15Å; Y214-V228 PolarHBondContact O-N 3.23Å; V226-V228 HydrophobicContact CG1-CG2 4.13Å; V228-T230 WeakPolarHBondContact CG1-O 3.23Å; V228-F234 HydrophobicContact CB-CB 4.4Å; V228-F234 HydrophobicContact CG1-CB 4.32Å; V228-F234 HydrophobicContact CG2-CB 4.17Å
229	E	95.3	Very high	93.3	Very high	61 Å²	61	48.3 Å²	48.3	29%	0.285	26%	0.261	S	S	.	.			trans	-104.5	-34.2	-175.7	-61.9	-170.3	128.6	0	0	112.6	F212 K227 R233	F212-E229 WeakPolarHBondContact CB-O 3.24Å; K227-E229 HydrophobicContact CD-CG 4.37Å; K227-E229 WeakPolarHBondContact CE-OE1 3.29Å; K227-E229 HydrophobicContact CG-CG 4.19Å; K227-E229 IonicContact NZ-OE1 3.5Å; K227-E229 PolarHBondContact NZ-OE1 2.97Å; E229-R233 PolarHBondContact N-O 2.77Å; E229-R233 IonicContact OE1-NH2 3.61Å; E229-R233 IonicContact OE2-CZ 3.44Å; E229-R233 IonicContact OE2-NE 2.79Å; E229-R233 PolarHBondContact OE2-NE 3.2Å; E229-R233 IonicContact OE2-NH2 2.83Å; E229-R233 PolarHBondContact OE2-NH2 3.3Å
230	T	92.9	Very high	93.5	Very high	56 Å²	56	49.4 Å²	49.4	34%	0.344	27%	0.269	S	S	.	.	S	Bend	trans	-147	-177.3	174.2	72.6	0	0	0	0	109.8	F212 V228 D232 R233	F212-T230 VanDerWaalsContact CE1-C 3.47Å; F212-T230 WeakPolarHBondContact CE1-O 3.38Å; V228-T230 WeakPolarHBondContact CG1-O 3.23Å; T230-D232 PolarHBondContact O-N 3.49Å; T230-R233 HydrophobicContact CG2-CB 4.47Å; T230-R233 PolarHBondContact N-O 2.77Å; T230-R233 VanDerWaalsContact N-O 3.12Å; T230-R233 WeakPolarHBondContact OG1-CB 3.41Å; T230-R233 PolarHBondContact OG1-N 3.07Å; T230-R233 VanDerWaalsContact OG1-N 3.13Å
231	E	87.9	Confident	93.8	Very high	34 Å²	34	52.8 Å²	52.8	16%	0.159	29%	0.287	C	S	.	.	S	Bend	trans	-52.5	-41.4	177.7	-169.3	61.1	-138.8	0	0	113.5	N181 K185 F212	N181-E231 WeakPolarHBondContact CB-OE1 3.43Å; N181-E231 VanDerWaalsContact ND2-CD 3.32Å; N181-E231 PolarHBondContact ND2-O 2.92Å; N181-E231 PolarHBondContact ND2-OE1 2.79Å; N181-E231 PolarHBondContact ND2-OE2 3.45Å; K185-E231 IonicContact NZ-OE2 3.07Å; K185-E231 PolarHBondContact NZ-OE2 3.02Å; F212-E231 HydrophobicContact CZ-CB 4.41Å
232	D	87.8	Confident	94.3	Very high	115 Å²	115	52.1 Å²	52.1	62%	0.615	28%	0.277	S	S	*	.	S	Bend	trans	-119.5	3.2	-174.2	-58	-63.8	0	0	0	112.9	K178 T230	K178-D232 IonicContact NZ-OD1 3.55Å; K178-D232 PolarHBondContact NZ-OD1 3.37Å; T230-D232 PolarHBondContact O-N 3.49Å
233	R	94.4	Very high	94.5	Very high	143 Å²	143	50.8 Å²	50.8	54%	0.54	26%	0.263	S	S	.	.			trans	-115.9	109.1	178.1	-161	174.9	78.4	-159	6.2	110.7	E229 T230	E229-R233 PolarHBondContact N-O 2.77Å; E229-R233 IonicContact OE1-NH2 3.61Å; E229-R233 IonicContact OE2-CZ 3.44Å; E229-R233 IonicContact OE2-NE 2.79Å; E229-R233 PolarHBondContact OE2-NE 3.2Å; E229-R233 IonicContact OE2-NH2 2.83Å; E229-R233 PolarHBondContact OE2-NH2 3.3Å; T230-R233 HydrophobicContact CG2-CB 4.47Å; T230-R233 PolarHBondContact N-O 2.77Å; T230-R233 VanDerWaalsContact N-O 3.12Å; T230-R233 WeakPolarHBondContact OG1-CB 3.41Å; T230-R233 PolarHBondContact OG1-N 3.07Å; T230-R233 VanDerWaalsContact OG1-N 3.13Å
234	F	96.3	Very high	94.2	Very high	61 Å²	61	50.7 Å²	50.7	27%	0.268	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.2	177.1	59.4	-91.5	0	0	0	110.5	M173 I177 V226 K227 V228	M173-F234 HydrophobicContact CB-CE2 4.38Å; I177-F234 HydrophobicContact CB-CD1 4.23Å; I177-F234 HydrophobicContact CB-CE1 4.38Å; I177-F234 HydrophobicContact CG1-CB 4.37Å; I177-F234 HydrophobicContact CG1-CD1 4.08Å; I177-F234 HydrophobicContact CG1-CD2 4.03Å; I177-F234 HydrophobicContact CG1-CE1 4.4Å; I177-F234 HydrophobicContact CG1-CE2 4.36Å; I177-F234 HydrophobicContact CG1-CG 3.89Å; I177-F234 HydrophobicContact CG2-CD1 3.97Å; I177-F234 HydrophobicContact CG2-CE1 4.47Å; I177-F234 HydrophobicContact CG2-CG 4.41Å; V226-F234 HydrophobicContact CG1-CB 3.88Å; V226-F234 HydrophobicContact CG1-CD2 3.9Å; V226-F234 HydrophobicContact CG1-CG 4.29Å; K227-F234 CarbonylContact O-C 3.43Å; K227-F234 WeakPolarHBondContact O-CA 3.3Å; K227-F234 WeakPolarHBondContact O-CB 3.29Å; V228-F234 HydrophobicContact CB-CB 4.4Å; V228-F234 HydrophobicContact CG1-CB 4.32Å; V228-F234 HydrophobicContact CG2-CB 4.17Å
235	E	96.4	Very high	93.9	Very high	111 Å²	111	50.5 Å²	50.5	52%	0.519	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	131.5	-177.2	-177.9	-179.3	-169	0	0	109.7	V226 K227 V237	V226-E235 CarbonylContact C-O 3.57Å; V226-E235 VanDerWaalsContact CA-O 3.32Å; V226-E235 WeakPolarHBondContact CA-O 3.43Å; V226-E235 VanDerWaalsContact CG1-O 3.31Å; V226-E235 WeakPolarHBondContact CG1-O 3.25Å; K227-E235 PolarHBondContact N-O 2.98Å; K227-E235 PolarHBondContact O-N 3Å; E235-V237 HydrophobicContact CB-CG1 4.21Å; E235-V237 HydrophobicContact CG-CG1 3.98Å; E235-V237 PolarHBondContact O-N 3Å
236	W	96	Very high	93.7	Very high	155 Å²	155	52.3 Å²	52.3	59%	0.587	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	108.5	167	-178.7	85	0	0	0	108.4	G238	W236-G238 VanDerWaalsContact CZ2-C 3.41Å; W236-G238 WeakPolarHBondContact CZ2-O 3.48Å; W236-G238 PolarHBondContact NE1-O 2.88Å
237	V	97	Very high	93.5	Very high	23 Å²	23	52.3 Å²	52.3	14%	0.139	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-12.4	-173.7	-64.1	0	0	0	0	112.7	L215 I225 K227 E235 H335	L215-V237 HydrophobicContact CD1-CG2 4.05Å; I225-V237 HydrophobicContact CB-CG2 4.36Å; I225-V237 HydrophobicContact CG2-CG2 3.77Å; I225-V237 WeakPolarHBondContact O-CG2 3.21Å; I225-V237 PolarHBondContact O-N 3.13Å; K227-V237 HydrophobicContact CB-CG1 3.68Å; K227-V237 HydrophobicContact CB-CG2 4.38Å; E235-V237 HydrophobicContact CB-CG1 4.21Å; E235-V237 HydrophobicContact CG-CG1 3.98Å; E235-V237 PolarHBondContact O-N 3Å; V237-H335 PolarHBondContact O-CE1 3.25Å
238	G	95.3	Very high	93.2	Very high	8 Å²	8	55.2 Å²	55.2	8%	0.082	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	179.8	176.8	0	0	0	0	0	113.8	I225 W236	I225-G238 WeakPolarHBondContact CA-O 3.44Å; I225-G238 WeakPolarHBondContact CB-O 3.37Å; I225-G238 PolarHBondContact N-O 3.23Å; I225-G238 PolarHBondContact O-N 3.46Å; W236-G238 VanDerWaalsContact CZ2-C 3.41Å; W236-G238 WeakPolarHBondContact CZ2-O 3.48Å; W236-G238 PolarHBondContact NE1-O 2.88Å
239	G	93.8	Very high	92.9	Very high	35 Å²	35	57 Å²	57	36%	0.361	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	173.6	177.7	0	0	0	0	0	112.1	V223	V223-G239 CarbonylContact O-C 3.52Å; V223-G239 WeakPolarHBondContact O-CA 3.4Å
240	S	95.3	Very high	92.9	Very high	23 Å²	23	57.5 Å²	57.5	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142.8	177.7	-179.4	0	0	0	0	110.2	G222 V223 I242	G222-S240 CarbonylContact C-O 3.4Å; V223-S240 PolarHBondContact N-O 2.83Å; V223-S240 PolarHBondContact O-N 2.87Å; S240-I242 PolarHBondContact O-N 2.87Å; S240-I242 WeakPolarHBondContact OG-CB 3.43Å; S240-I242 PolarHBondContact OG-N 3.41Å
241	S	93	Very high	93	Very high	103 Å²	103	54.9 Å²	54.9	72%	0.72	30%	0.295	S	S	*	.	S	Bend	trans	-75.4	-5.9	168.1	59.3	0	0	0	0	112.3	G243 T246	S241-G243 PolarHBondContact O-N 3.28Å; S241-T246 PolarHBondContact O-OG1 2.83Å
242	I	93.9	Very high	93.3	Very high	61 Å²	61	54.6 Å²	54.6	31%	0.313	30%	0.299	S	S	.	.			trans	-93.4	84.2	-179.7	-54	176.2	0	0	0	108.6	V223 S240 T246 I324	V223-I242 WeakPolarHBondContact CG2-O 3.48Å; S240-I242 PolarHBondContact O-N 2.87Å; S240-I242 WeakPolarHBondContact OG-CB 3.43Å; S240-I242 PolarHBondContact OG-N 3.41Å; I242-T246 HydrophobicContact CG2-CG2 4.28Å; I242-I324 HydrophobicContact CG2-CB 4.42Å; I242-I324 HydrophobicContact CG2-CG1 3.82Å; I242-I324 HydrophobicContact CG2-CG2 4.3Å
243	G	91.2	Very high	93.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-127	-153.2	179.2	0	0	0	0	0	113.3	S221 S241 G245 T246 F247	S221-G243 CarbonylContact O-C 3.55Å; S221-G243 WeakPolarHBondContact O-CA 3.4Å; S241-G243 PolarHBondContact O-N 3.28Å; G243-G245 VanDerWaalsContact C-N 3.27Å; G243-G245 PolarHBondContact O-N 2.62Å; G243-T246 WeakPolarHBondContact O-CB 3.45Å; G243-T246 PolarHBondContact O-N 3.49Å; G243-T246 VanDerWaalsContact O-N 3.16Å; G243-F247 PolarHBondContact O-N 3.44Å
244	G	88.6	Confident	93.6	Very high	7 Å²	7	51.1 Å²	51.1	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-28.1	-180	0	0	0	0	0	113.9	G220 S221 F247 W248	G220-G244 WeakPolarHBondContact O-CA 3.42Å; G220-G244 PolarHBondContact O-N 3.2Å; S221-G244 PolarHBondContact O-N 3.41Å; G244-F247 PolarHBondContact O-N 3.12Å; G244-W248 WeakPolarHBondContact O-CB 3.43Å; G244-W248 PolarHBondContact O-N 2.83Å
245	G	88.1	Confident	93.4	Very high	29 Å²	29	48.2 Å²	48.2	30%	0.299	28%	0.277	S	S	.	.	H	α-helix	trans	-67.4	-37.9	173.5	0	0	0	0	0	112	S221 G243 W248 G249	S221-G245 WeakPolarHBondContact O-CA 3.43Å; S221-G245 PolarHBondContact O-N 2.82Å; G243-G245 VanDerWaalsContact C-N 3.27Å; G243-G245 PolarHBondContact O-N 2.62Å; G245-W248 PolarHBondContact O-N 3.36Å; G245-G249 PolarHBondContact O-N 2.69Å
246	T	93.1	Very high	93.1	Very high	40 Å²	40	50.2 Å²	50.2	25%	0.245	29%	0.285	C	S	.	.	H	α-helix	trans	-68.9	-41.9	175.6	-53.1	0	0	0	0	111.1	S241 I242 G243 W248 G249 L250 I324	S241-T246 PolarHBondContact O-OG1 2.83Å; I242-T246 HydrophobicContact CG2-CG2 4.28Å; G243-T246 WeakPolarHBondContact O-CB 3.45Å; G243-T246 PolarHBondContact O-N 3.49Å; G243-T246 VanDerWaalsContact O-N 3.16Å; T246-W248 VanDerWaalsContact C-N 3.35Å; T246-W248 PolarHBondContact O-N 3.43Å; T246-G249 PolarHBondContact O-N 2.95Å; T246-L250 HydrophobicContact CG2-CD1 3.87Å; T246-L250 HydrophobicContact CG2-CG 4.3Å; T246-L250 WeakPolarHBondContact O-CB 3.04Å; T246-L250 PolarHBondContact O-N 3.32Å; T246-I324 HydrophobicContact CG2-CD1 4.37Å
247	F	92.8	Very high	92.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57	-49.8	172.2	177.3	-109.5	0	0	0	111.1	G243 G244 G251 F260 L263 L264 L320 L321 I324 F350	G243-F247 PolarHBondContact O-N 3.44Å; G244-F247 PolarHBondContact O-N 3.12Å; F247-G251 WeakPolarHBondContact O-CA 3.37Å; F247-G251 PolarHBondContact O-N 3.36Å; F247-F260 HydrophobicContact CD1-CD2 4.31Å; F247-F260 AromaticContact CD1-CE2 3.69Å; F247-F260 HydrophobicContact CD1-CE2 3.69Å; F247-F260 HydrophobicContact CD1-CZ 4.21Å; F247-F260 HydrophobicContact CE1-CE2 4.24Å; F247-F260 HydrophobicContact CE1-CZ 4.5Å; F247-L263 HydrophobicContact CD1-CD2 3.7Å; F247-L263 HydrophobicContact CD1-CG 4.49Å; F247-L263 HydrophobicContact CD2-CD2 4.39Å; F247-L263 HydrophobicContact CE1-CB 4.26Å; F247-L263 HydrophobicContact CE1-CD2 3.37Å; F247-L263 HydrophobicContact CE1-CG 3.68Å; F247-L263 HydrophobicContact CE2-CD2 4.07Å; F247-L263 HydrophobicContact CE2-CG 4.24Å; F247-L263 HydrophobicContact CG-CD2 4.22Å; F247-L263 HydrophobicContact CZ-CB 4.41Å; F247-L263 HydrophobicContact CZ-CD2 3.57Å; F247-L263 HydrophobicContact CZ-CG 3.53Å; F247-L263 WeakPolarHBondContact O-CD2 3.1Å; F247-L264 HydrophobicContact CE1-CD2 3.52Å; F247-L264 HydrophobicContact CE1-CG 3.87Å; F247-L264 HydrophobicContact CZ-CD2 3.69Å; F247-L264 HydrophobicContact CZ-CG 4.33Å; F247-L320 HydrophobicContact CD2-CB 4.38Å; F247-L320 HydrophobicContact CD2-CD2 3.91Å; F247-L320 HydrophobicContact CD2-CG 3.84Å; F247-L320 HydrophobicContact CE2-CB 4.37Å; F247-L320 HydrophobicContact CE2-CD2 4.28Å; F247-L320 HydrophobicContact CE2-CG 4.29Å; F247-L320 WeakPolarHBondContact O-CD2 3.5Å; F247-L321 HydrophobicContact CD2-CB 4.37Å; F247-L321 HydrophobicContact CD2-CD1 4.44Å; F247-L321 HydrophobicContact CE2-CB 3.69Å; F247-L321 HydrophobicContact CE2-CD1 4.14Å; F247-L321 HydrophobicContact CE2-CG 4.47Å; F247-L321 HydrophobicContact CZ-CB 4.31Å; F247-L321 HydrophobicContact CZ-CD1 4.35Å; F247-I324 HydrophobicContact CB-CD1 3.52Å; F247-I324 HydrophobicContact CD2-CD1 4.22Å; F247-I324 HydrophobicContact CG-CD1 4.38Å; F247-I324 VanDerWaalsContact N-CD1 3.31Å; F247-F350 HydrophobicContact CB-CE2 3.74Å; F247-F350 HydrophobicContact CB-CZ 4.5Å; F247-F350 AromaticContact CD1-CE2 3.83Å; F247-F350 HydrophobicContact CD1-CE2 3.83Å; F247-F350 AromaticContact CG-CE2 3.78Å; F247-F350 HydrophobicContact CG-CE2 3.78Å; F247-F350 HydrophobicContact CG-CZ 4.48Å
248	W	90.4	Very high	91.9	Very high	95 Å²	95	50.6 Å²	50.6	36%	0.36	29%	0.289	S	S	.	.	H	α-helix	trans	-65.5	-47.2	-178.8	-168.8	14.6	0	0	0	112.4	S69 G244 G245 T246 A252 K258 F260	S69-W248 WeakPolarHBondContact OG-CZ3 3.47Å; G244-W248 WeakPolarHBondContact O-CB 3.43Å; G244-W248 PolarHBondContact O-N 2.83Å; G245-W248 PolarHBondContact O-N 3.36Å; T246-W248 VanDerWaalsContact C-N 3.35Å; T246-W248 PolarHBondContact O-N 3.43Å; W248-A252 VanDerWaalsContact O-CB 3.31Å; W248-A252 WeakPolarHBondContact O-CB 3.45Å; W248-A252 PolarHBondContact O-N 2.66Å; W248-K258 WeakPolarHBondContact CZ2-O 3.37Å; W248-K258 PolarHBondContact NE1-O 2.8Å; W248-F260 HydrophobicContact CB-CD2 3.98Å; W248-F260 HydrophobicContact CB-CE2 4.5Å; W248-F260 HydrophobicContact CG-CD2 4.08Å
249	G	92.2	Very high	91.3	Very high	38 Å²	38	57.3 Å²	57.3	39%	0.392	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-52.5	-177.6	0	0	0	0	0	112.7	G245 T246 A252 L253	G245-G249 PolarHBondContact O-N 2.69Å; T246-G249 PolarHBondContact O-N 2.95Å; G249-A252 PolarHBondContact O-N 3.47Å; G249-L253 WeakPolarHBondContact O-CG 3.38Å; G249-L253 PolarHBondContact O-N 2.74Å; G249-L253 VanDerWaalsContact O-N 3.15Å
250	L	95.6	Very high	90.6	Very high	71 Å²	71	57 Å²	57	37%	0.372	31%	0.305	S	S	.	.	H	α-helix	trans	-67.1	-40	177.9	-67.8	-179.4	0	0	0	111.4	T246 A252 L253 L254 L320	T246-L250 HydrophobicContact CG2-CD1 3.87Å; T246-L250 HydrophobicContact CG2-CG 4.3Å; T246-L250 WeakPolarHBondContact O-CB 3.04Å; T246-L250 PolarHBondContact O-N 3.32Å; L250-A252 VanDerWaalsContact C-N 3.3Å; L250-A252 PolarHBondContact O-N 2.96Å; L250-L253 HydrophobicContact CD2-CD1 4.35Å; L250-L253 PolarHBondContact O-N 3.26Å; L250-L253 VanDerWaalsContact O-N 3.12Å; L250-L254 WeakPolarHBondContact O-CB 3.42Å; L250-L254 VanDerWaalsContact O-CG 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.25Å; L250-L254 PolarHBondContact O-N 2.67Å; L250-L320 HydrophobicContact CB-CD1 4.05Å; L250-L320 HydrophobicContact CB-CD2 3.84Å; L250-L320 HydrophobicContact CD1-CD1 4Å
251	G	94.6	Very high	89.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.8	-43.5	175.9	0	0	0	0	0	111.8	F247 L253 L254 T255 L320	F247-G251 WeakPolarHBondContact O-CA 3.37Å; F247-G251 PolarHBondContact O-N 3.36Å; G251-L253 VanDerWaalsContact C-N 3.32Å; G251-L253 PolarHBondContact O-N 2.87Å; G251-L254 PolarHBondContact O-N 2.74Å; G251-T255 PolarHBondContact O-N 3.03Å; G251-T255 PolarHBondContact O-OG1 2.59Å; G251-L320 VanDerWaalsContact N-CD2 3.26Å
252	A	93.1	Very high	89.4	Confident	29 Å²	29	58.5 Å²	58.5	24%	0.24	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-38.2	175.3	0	0	0	0	0	112.9	W248 G249 L250 K256 T257	W248-A252 VanDerWaalsContact O-CB 3.31Å; W248-A252 WeakPolarHBondContact O-CB 3.45Å; W248-A252 PolarHBondContact O-N 2.66Å; G249-A252 PolarHBondContact O-N 3.47Å; L250-A252 VanDerWaalsContact C-N 3.3Å; L250-A252 PolarHBondContact O-N 2.96Å; A252-K256 WeakPolarHBondContact O-CA 3.39Å; A252-K256 PolarHBondContact O-N 3.44Å; A252-T257 WeakPolarHBondContact CA-O 3.49Å; A252-T257 WeakPolarHBondContact CB-O 3.4Å
253	L	94.9	Very high	89.1	Confident	118 Å²	118	55.6 Å²	55.6	62%	0.618	29%	0.285	S	S	*	.	H	α-helix	trans	-66.6	-43.8	176.1	-68.9	173	0	0	0	112	G249 L250 G251 K256	G249-L253 WeakPolarHBondContact O-CG 3.38Å; G249-L253 PolarHBondContact O-N 2.74Å; G249-L253 VanDerWaalsContact O-N 3.15Å; L250-L253 HydrophobicContact CD2-CD1 4.35Å; L250-L253 PolarHBondContact O-N 3.26Å; L250-L253 VanDerWaalsContact O-N 3.12Å; G251-L253 VanDerWaalsContact C-N 3.32Å; G251-L253 PolarHBondContact O-N 2.87Å; L253-K256 PolarHBondContact O-NZ 3.25Å
254	L	93.9	Very high	88.8	Confident	66 Å²	66	56 Å²	56	35%	0.346	29%	0.287	S	S	.	.	H	α-helix	trans	-75	-43	-175.6	-67.9	171.3	0	0	0	112.8	L250 G251 F301 M316 L320	L250-L254 WeakPolarHBondContact O-CB 3.42Å; L250-L254 VanDerWaalsContact O-CG 3.24Å; L250-L254 WeakPolarHBondContact O-CG 3.25Å; L250-L254 PolarHBondContact O-N 2.67Å; G251-L254 PolarHBondContact O-N 2.74Å; L254-F301 HydrophobicContact CD1-CE1 4.02Å; L254-F301 HydrophobicContact CD1-CZ 4.07Å; L254-M316 HydrophobicContact CB-SD 4.41Å; L254-M316 HydrophobicContact CD2-SD 4.33Å; L254-L320 HydrophobicContact CD1-CD2 4.37Å
255	T	93.1	Very high	88.5	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-104.6	-13.3	-172.6	74.1	0	0	0	0	113.7	G251 T257 L263 L266 K313 A317	G251-T255 PolarHBondContact O-N 3.03Å; G251-T255 PolarHBondContact O-OG1 2.59Å; T255-T257 PolarHBondContact O-N 3.1Å; T255-T257 WeakPolarHBondContact OG1-CB 3.41Å; T255-T257 PolarHBondContact OG1-N 3.25Å; T255-T257 PolarHBondContact OG1-OG1 3.12Å; T255-L263 HydrophobicContact CG2-CD1 3.97Å; T255-L266 HydrophobicContact CG2-CD1 4.15Å; T255-K313 HydrophobicContact CG2-CB 4.03Å; T255-K313 VanDerWaalsContact O-CD 3.32Å; T255-K313 WeakPolarHBondContact O-CD 3.3Å; T255-K313 WeakPolarHBondContact O-CE 3.43Å; T255-K313 PolarHBondContact O-NZ 2.85Å; T255-A317 HydrophobicContact CG2-CB 4.32Å
256	K	89.6	Confident	88.7	Confident	154 Å²	154	57.6 Å²	57.6	67%	0.67	29%	0.285	S	S	*	.			trans	65.6	12.6	-169.6	-48.3	-55.1	-177.1	-159.4	0	114.5	A252 L253	A252-K256 WeakPolarHBondContact O-CA 3.39Å; A252-K256 PolarHBondContact O-N 3.44Å; L253-K256 PolarHBondContact O-NZ 3.25Å
257	T	87	Confident	88.5	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.037	27%	0.274	C	S	.	.			trans	-81	131.8	174.9	-67.7	0	0	0	0	111	A252 T255 K259 E262 L263	A252-T257 WeakPolarHBondContact CA-O 3.49Å; A252-T257 WeakPolarHBondContact CB-O 3.4Å; T255-T257 PolarHBondContact O-N 3.1Å; T255-T257 WeakPolarHBondContact OG1-CB 3.41Å; T255-T257 PolarHBondContact OG1-N 3.25Å; T255-T257 PolarHBondContact OG1-OG1 3.12Å; T257-K259 VanDerWaalsContact CG2-O 3.27Å; T257-K259 WeakPolarHBondContact CG2-O 3.2Å; T257-E262 HydrophobicContact CG2-CB 3.58Å; T257-E262 HydrophobicContact CG2-CG 3.62Å; T257-E262 WeakPolarHBondContact CG2-OE1 3.49Å; T257-E262 PolarHBondContact OG1-OE1 3.48Å; T257-L263 HydrophobicContact CG2-CB 4.31Å
258	K	81.4	Confident	88.2	Confident	179 Å²	179	57.2 Å²	57.2	78%	0.778	29%	0.285	S	S	*	.			trans	-98.5	-13.3	179.4	-65.8	-171.1	178.4	-177.2	0	114.2	W248	W248-K258 WeakPolarHBondContact CZ2-O 3.37Å; W248-K258 PolarHBondContact NE1-O 2.8Å
259	K	81.5	Confident	88.1	Confident	150 Å²	150	60.9 Å²	60.9	65%	0.652	30%	0.298	S	S	*	.			trans	-101.4	131.8	-178.1	-65.1	-172.6	177.3	-170.6	0	111.3	T257 D261 E262 L263	T257-K259 VanDerWaalsContact CG2-O 3.27Å; T257-K259 WeakPolarHBondContact CG2-O 3.2Å; K259-D261 PolarHBondContact O-N 3.07Å; K259-E262 HydrophobicContact CB-CB 4.03Å; K259-E262 PolarHBondContact O-N 3.35Å; K259-L263 PolarHBondContact O-N 3.45Å
260	F	80.4	Confident	88.1	Confident	28 Å²	28	59.5 Å²	59.5	12%	0.123	28%	0.284	C	S	.	.	H	α-helix	trans	-58.5	-44.8	180	-174.8	-93.6	0	0	0	112.6	F247 W248 E262 L263 L264 F350	F247-F260 HydrophobicContact CD1-CD2 4.31Å; F247-F260 AromaticContact CD1-CE2 3.69Å; F247-F260 HydrophobicContact CD1-CE2 3.69Å; F247-F260 HydrophobicContact CD1-CZ 4.21Å; F247-F260 HydrophobicContact CE1-CE2 4.24Å; F247-F260 HydrophobicContact CE1-CZ 4.5Å; W248-F260 HydrophobicContact CB-CD2 3.98Å; W248-F260 HydrophobicContact CB-CE2 4.5Å; W248-F260 HydrophobicContact CG-CD2 4.08Å; F260-E262 VanDerWaalsContact C-N 3.33Å; F260-E262 PolarHBondContact O-N 3.32Å; F260-L263 WeakPolarHBondContact O-CB 3.09Å; F260-L263 PolarHBondContact O-N 3.27Å; F260-L263 VanDerWaalsContact O-N 3.14Å; F260-L264 HydrophobicContact CD1-CD1 3.84Å; F260-L264 HydrophobicContact CD1-CG 4.4Å; F260-L264 HydrophobicContact CE1-CD1 3.31Å; F260-L264 HydrophobicContact CE1-CG 4.06Å; F260-L264 HydrophobicContact CZ-CD1 4.01Å; F260-L264 HydrophobicContact CZ-CG 4.47Å; F260-L264 PolarHBondContact O-N 2.92Å; F260-F350 HydrophobicContact CE2-CD2 4.22Å; F260-F350 AromaticContact CZ-CD2 3.81Å; F260-F350 HydrophobicContact CZ-CD2 3.81Å; F260-F350 HydrophobicContact CZ-CE2 4.36Å
261	D	78.1	Confident	88	Confident	67 Å²	67	61.5 Å²	61.5	36%	0.358	29%	0.292	S	S	.	.	H	α-helix	trans	-69	-32.2	-177.4	-65.2	-16.3	0	0	0	113	K259 L263 L264 H265 R352	K259-D261 PolarHBondContact O-N 3.07Å; D261-L263 VanDerWaalsContact C-N 3.34Å; D261-L264 PolarHBondContact O-N 3.49Å; D261-H265 WeakPolarHBondContact O-CB 3.41Å; D261-H265 PolarHBondContact O-N 2.77Å; D261-R352 IonicContact OD1-CZ 3.18Å; D261-R352 IonicContact OD1-NE 3.98Å; D261-R352 IonicContact OD1-NH1 2.65Å; D261-R352 PolarHBondContact OD1-NH1 3.44Å; D261-R352 IonicContact OD1-NH2 3.54Å; D261-R352 PolarHBondContact OD1-NH2 3.17Å; D261-R352 IonicContact OD2-CZ 3.21Å; D261-R352 IonicContact OD2-NH1 2.73Å; D261-R352 PolarHBondContact OD2-NH1 3.35Å; D261-R352 IonicContact OD2-NH2 3.31Å; D261-R352 PolarHBondContact OD2-NH2 3.2Å
262	E	83.7	Confident	87.9	Confident	90 Å²	90	63.4 Å²	63.4	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-67.7	-38.4	173.6	-174.8	-165.9	143.7	0	0	110.5	T257 K259 F260 H265 L266	T257-E262 HydrophobicContact CG2-CB 3.58Å; T257-E262 HydrophobicContact CG2-CG 3.62Å; T257-E262 WeakPolarHBondContact CG2-OE1 3.49Å; T257-E262 PolarHBondContact OG1-OE1 3.48Å; K259-E262 HydrophobicContact CB-CB 4.03Å; K259-E262 PolarHBondContact O-N 3.35Å; F260-E262 VanDerWaalsContact C-N 3.33Å; F260-E262 PolarHBondContact O-N 3.32Å; E262-H265 WeakPolarHBondContact O-CB 3.35Å; E262-H265 PolarHBondContact O-N 3.4Å; E262-L266 WeakPolarHBondContact O-CG 2.9Å; E262-L266 PolarHBondContact O-N 3.04Å
263	L	87.6	Confident	87.9	Confident	1 Å²	1	63 Å²	63	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-40.9	175.9	-175.5	66.4	0	0	0	112.1	F247 T255 T257 K259 F260 D261 H265 L266 A267 A317	F247-L263 HydrophobicContact CD1-CD2 3.7Å; F247-L263 HydrophobicContact CD1-CG 4.49Å; F247-L263 HydrophobicContact CD2-CD2 4.39Å; F247-L263 HydrophobicContact CE1-CB 4.26Å; F247-L263 HydrophobicContact CE1-CD2 3.37Å; F247-L263 HydrophobicContact CE1-CG 3.68Å; F247-L263 HydrophobicContact CE2-CD2 4.07Å; F247-L263 HydrophobicContact CE2-CG 4.24Å; F247-L263 HydrophobicContact CG-CD2 4.22Å; F247-L263 HydrophobicContact CZ-CB 4.41Å; F247-L263 HydrophobicContact CZ-CD2 3.57Å; F247-L263 HydrophobicContact CZ-CG 3.53Å; F247-L263 WeakPolarHBondContact O-CD2 3.1Å; T255-L263 HydrophobicContact CG2-CD1 3.97Å; T257-L263 HydrophobicContact CG2-CB 4.31Å; K259-L263 PolarHBondContact O-N 3.45Å; F260-L263 WeakPolarHBondContact O-CB 3.09Å; F260-L263 PolarHBondContact O-N 3.27Å; F260-L263 VanDerWaalsContact O-N 3.14Å; D261-L263 VanDerWaalsContact C-N 3.34Å; L263-H265 VanDerWaalsContact C-N 3.34Å; L263-L266 PolarHBondContact O-N 3.31Å; L263-A267 WeakPolarHBondContact O-CB 3.4Å; L263-A267 PolarHBondContact O-N 3.16Å; L263-A317 HydrophobicContact CD1-CB 3.89Å
264	L	84.7	Confident	87.9	Confident	9 Å²	9	60.7 Å²	60.7	5%	0.047	28%	0.284	C	S	.	.	H	α-helix	trans	-66.6	-35.9	173.2	-72.9	178.5	0	0	0	112.4	F247 F260 D261 A267 S268 L321 H354	F247-L264 HydrophobicContact CE1-CD2 3.52Å; F247-L264 HydrophobicContact CE1-CG 3.87Å; F247-L264 HydrophobicContact CZ-CD2 3.69Å; F247-L264 HydrophobicContact CZ-CG 4.33Å; F260-L264 HydrophobicContact CD1-CD1 3.84Å; F260-L264 HydrophobicContact CD1-CG 4.4Å; F260-L264 HydrophobicContact CE1-CD1 3.31Å; F260-L264 HydrophobicContact CE1-CG 4.06Å; F260-L264 HydrophobicContact CZ-CD1 4.01Å; F260-L264 HydrophobicContact CZ-CG 4.47Å; F260-L264 PolarHBondContact O-N 2.92Å; D261-L264 PolarHBondContact O-N 3.49Å; L264-A267 CarbonylContact O-C 3.57Å; L264-A267 PolarHBondContact O-N 3.45Å; L264-S268 PolarHBondContact O-N 3.01Å; L264-L321 HydrophobicContact CD2-CD1 4.17Å; L264-L321 HydrophobicContact CD2-CD2 4.18Å; L264-H354 WeakPolarHBondContact CD1-CD2 3.19Å; L264-H354 WeakPolarHBondContact CD1-NE2 3.43Å
265	H	83.8	Confident	88	Confident	48 Å²	48	57.6 Å²	57.6	22%	0.222	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-44.5	172.5	-174.2	68.1	0	0	0	112.2	D261 E262 L263 A267 S268	D261-H265 WeakPolarHBondContact O-CB 3.41Å; D261-H265 PolarHBondContact O-N 2.77Å; E262-H265 WeakPolarHBondContact O-CB 3.35Å; E262-H265 PolarHBondContact O-N 3.4Å; L263-H265 VanDerWaalsContact C-N 3.34Å; H265-A267 VanDerWaalsContact C-N 3.34Å; H265-A267 PolarHBondContact O-N 3.48Å; H265-S268 WeakPolarHBondContact O-CB 3.36Å; H265-S268 PolarHBondContact O-N 3Å; H265-S268 VanDerWaalsContact O-N 3.15Å; H265-S268 PolarHBondContact O-OG 2.88Å
266	L	90.6	Very high	88.1	Confident	20 Å²	20	57.6 Å²	57.6	11%	0.105	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-48.5	171.5	-70.3	172.4	0	0	0	110.9	T255 E262 L263 S268 R269 G270 K313 E314 A317	T255-L266 HydrophobicContact CG2-CD1 4.15Å; E262-L266 WeakPolarHBondContact O-CG 2.9Å; E262-L266 PolarHBondContact O-N 3.04Å; L263-L266 PolarHBondContact O-N 3.31Å; L266-S268 PolarHBondContact O-N 3.14Å; L266-R269 PolarHBondContact O-N 3.4Å; L266-G270 PolarHBondContact O-N 2.85Å; L266-K313 HydrophobicContact CD1-CB 4.43Å; L266-E314 HydrophobicContact CD2-CG 3.85Å; L266-A317 HydrophobicContact CB-CB 3.81Å
267	A	89.8	Confident	88.3	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.6	-26.1	177.5	0	0	0	0	0	112.9	L263 L264 H265 R269 A317 K318 L321	L263-A267 WeakPolarHBondContact O-CB 3.4Å; L263-A267 PolarHBondContact O-N 3.16Å; L264-A267 CarbonylContact O-C 3.57Å; L264-A267 PolarHBondContact O-N 3.45Å; H265-A267 VanDerWaalsContact C-N 3.34Å; H265-A267 PolarHBondContact O-N 3.48Å; A267-R269 PolarHBondContact O-N 3.01Å; A267-A317 HydrophobicContact CB-CB 4.02Å; A267-K318 WeakPolarHBondContact O-CD 3.46Å; A267-K318 PolarHBondContact O-NZ 3.06Å; A267-L321 HydrophobicContact CB-CB 4.2Å; A267-L321 HydrophobicContact CB-CD2 3.8Å
268	S	85.9	Confident	88.7	Confident	33 Å²	33	52.6 Å²	52.6	23%	0.231	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-24.9	175.1	76.4	0	0	0	0	113.5	L264 H265 L266	L264-S268 PolarHBondContact O-N 3.01Å; H265-S268 WeakPolarHBondContact O-CB 3.36Å; H265-S268 PolarHBondContact O-N 3Å; H265-S268 VanDerWaalsContact O-N 3.15Å; H265-S268 PolarHBondContact O-OG 2.88Å; L266-S268 PolarHBondContact O-N 3.14Å
269	R	89.6	Confident	89.3	Confident	171 Å²	171	44.3 Å²	44.3	65%	0.645	21%	0.211	S	C	*	.	H	α-helix	trans	-104.4	-11.5	-172.6	-64.6	173.9	61.1	168.8	-2.3	113.8	L266 A267 E314	L266-R269 PolarHBondContact O-N 3.4Å; A267-R269 PolarHBondContact O-N 3.01Å; R269-E314 HydrophobicContact CB-CG 4.25Å
270	G	91.5	Very high	89.9	Confident	9 Å²	9	42 Å²	42	9%	0.093	20%	0.199	C	C	.	.			trans	-83.6	160.1	-176.2	0	0	0	0	0	115.2	L266 E314 K318	L266-G270 PolarHBondContact O-N 2.85Å; G270-E314 WeakPolarHBondContact CA-O 3.47Å; G270-K318 WeakPolarHBondContact O-CD 3.44Å; G270-K318 WeakPolarHBondContact O-CG 3.46Å
271	Q	92.8	Very high	90.4	Very high	114 Å²	114	44.2 Å²	44.2	53%	0.533	21%	0.212	S	C	.	.			trans	-116.6	95.1	178.9	-167.2	84.9	30.9	0	0	109.8	S273 N274 D315	Q271-S273 WeakPolarHBondContact CG-OG 3.44Å; Q271-S273 PolarHBondContact O-N 3.21Å; Q271-S273 VanDerWaalsContact O-N 3.09Å; Q271-N274 WeakPolarHBondContact O-CB 3.29Å; Q271-N274 PolarHBondContact O-N 3.27Å; Q271-N274 VanDerWaalsContact O-N 3.12Å; Q271-D315 WeakPolarHBondContact CA-OD1 3.1Å; Q271-D315 PolarHBondContact N-OD1 2.87Å
272	H	92.9	Very high	91.1	Very high	39 Å²	39	44.7 Å²	44.7	18%	0.181	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-59.4	-28.4	-173.5	77.2	99.4	0	0	0	114	N274 V275 D276 K318 H322	H272-N274 PolarHBondContact O-N 2.88Å; H272-N274 VanDerWaalsContact O-N 3.07Å; H272-V275 PolarHBondContact O-N 3.3Å; H272-D276 WeakPolarHBondContact CB-OD2 3.39Å; H272-D276 IonicContact CG-OD2 3.69Å; H272-D276 IonicContact ND1-OD2 3.21Å; H272-D276 PolarHBondContact ND1-OD2 3.05Å; H272-D276 WeakPolarHBondContact O-CB 3.28Å; H272-D276 PolarHBondContact O-N 3.27Å; H272-K318 HydrophobicContact CB-CB 4.32Å; H272-K318 HydrophobicContact CB-CG 3.72Å; H272-H322 AromaticContact CD2-CE1 3.35Å; H272-H322 PolarHBondContact CD2-CE1 2.94Å; H272-H322 AromaticContact CD2-ND1 3.44Å; H272-H322 PolarHBondContact CD2-ND1 3.46Å; H272-H322 AromaticContact CE1-ND1 3.91Å; H272-H322 AromaticContact CG-CE1 3.71Å; H272-H322 AromaticContact CG-ND1 3.32Å; H272-H322 VanDerWaalsContact CG-ND1 3.32Å; H272-H322 AromaticContact ND1-ND1 3.63Å; H272-H322 AromaticContact NE2-CE1 3.77Å; H272-H322 AromaticContact NE2-ND1 3.81Å
273	S	94.1	Very high	91.4	Very high	22 Å²	22	47 Å²	47	15%	0.154	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-62.2	-16.4	179.5	58	0	0	0	0	114.2	Q271 K303	Q271-S273 WeakPolarHBondContact CG-OG 3.44Å; Q271-S273 PolarHBondContact O-N 3.21Å; Q271-S273 VanDerWaalsContact O-N 3.09Å; S273-K303 PolarHBondContact O-NZ 2.83Å
274	N	94.3	Very high	91.5	Very high	69 Å²	69	50.6 Å²	50.6	37%	0.369	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-73.2	-33.1	174	-65.1	-11.2	0	0	0	111.4	Q271 H272 K303 F311 D315	Q271-N274 WeakPolarHBondContact O-CB 3.29Å; Q271-N274 PolarHBondContact O-N 3.27Å; Q271-N274 VanDerWaalsContact O-N 3.12Å; H272-N274 PolarHBondContact O-N 2.88Å; H272-N274 VanDerWaalsContact O-N 3.07Å; N274-K303 WeakPolarHBondContact O-CD 3.34Å; N274-F311 WeakPolarHBondContact O-CE1 3.31Å; N274-D315 HydrophobicContact CB-CB 4.41Å; N274-D315 PolarHBondContact ND2-OD2 2.99Å
275	V	95	Very high	91.9	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-38	-172.8	174.7	0	0	0	0	111.7	H272 F301 K303 F311 D315 M316	H272-V275 PolarHBondContact O-N 3.3Å; V275-F301 HydrophobicContact CG1-CB 4.35Å; V275-F301 HydrophobicContact CG1-CD1 3.39Å; V275-F301 HydrophobicContact CG1-CE1 3.81Å; V275-F301 HydrophobicContact CG1-CG 3.98Å; V275-F301 CarbonylContact O-C 3.55Å; V275-F301 VanDerWaalsContact O-C 3.31Å; V275-F301 WeakPolarHBondContact O-CA 3.39Å; V275-K303 WeakPolarHBondContact O-CB 3.38Å; V275-K303 PolarHBondContact O-N 3.47Å; V275-K303 VanDerWaalsContact O-N 3.15Å; V275-F311 HydrophobicContact CB-CD1 4.37Å; V275-F311 HydrophobicContact CG2-CB 3.9Å; V275-F311 HydrophobicContact CG2-CD1 3.53Å; V275-F311 HydrophobicContact CG2-CE1 4.29Å; V275-F311 HydrophobicContact CG2-CG 3.83Å; V275-D315 HydrophobicContact CG2-CB 3.66Å; V275-M316 HydrophobicContact CG2-CG 4.3Å
276	D	95.6	Very high	92.1	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	S	Bend	trans	-80.8	143.6	-179	-65.5	-31.2	0	0	0	112.3	H272 L278 I297 S300 F301 K303 S319	H272-D276 WeakPolarHBondContact CB-OD2 3.39Å; H272-D276 IonicContact CG-OD2 3.69Å; H272-D276 IonicContact ND1-OD2 3.21Å; H272-D276 PolarHBondContact ND1-OD2 3.05Å; H272-D276 WeakPolarHBondContact O-CB 3.28Å; H272-D276 PolarHBondContact O-N 3.27Å; D276-L278 HydrophobicContact CB-CD2 4.31Å; D276-I297 HydrophobicContact CB-CG1 4.31Å; D276-I297 HydrophobicContact CB-CG2 4.24Å; D276-I297 WeakPolarHBondContact OD2-CD1 3.41Å; D276-S300 WeakPolarHBondContact OD1-CA 3.2Å; D276-F301 PolarHBondContact OD1-N 3.28Å; D276-K303 WeakPolarHBondContact O-CD 3.22Å; D276-K303 WeakPolarHBondContact O-CE 3.49Å; D276-K303 PolarHBondContact O-NZ 2.66Å; D276-S319 WeakPolarHBondContact OD1-CB 3.25Å; D276-S319 PolarHBondContact OD1-OG 3.47Å
277	M	94.8	Very high	92	Very high	51 Å²	51	53 Å²	53	25%	0.251	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.6	166.8	-170.5	-176.4	-52.9	0	0	109.2	D281 V282 A298 S299 G302 K303	M277-D281 HydrophobicContact CG-CB 4.13Å; M277-V282 HydrophobicContact CG-CG2 4.12Å; M277-V282 HydrophobicContact SD-CG2 3.78Å; M277-A298 PolarHBondContact O-N 3.18Å; M277-S299 PolarHBondContact N-O 3.25Å; M277-S299 PolarHBondContact O-N 2.99Å; M277-G302 WeakPolarHBondContact CE-O 3.21Å; M277-K303 HydrophobicContact CB-CG 4.5Å
278	L	95	Very high	91.8	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	161.6	-179.4	-54	-178.3	0	0	0	110.9	D276 R280 D281 V282 L296 I297	D276-L278 HydrophobicContact CB-CD2 4.31Å; L278-R280 HydrophobicContact CB-CG 4.09Å; L278-R280 PolarHBondContact O-N 2.93Å; L278-D281 WeakPolarHBondContact CB-OD2 3.3Å; L278-D281 PolarHBondContact N-OD2 3.3Å; L278-D281 WeakPolarHBondContact O-CA 3.28Å; L278-D281 WeakPolarHBondContact O-CB 3.28Å; L278-D281 PolarHBondContact O-N 3.29Å; L278-V282 PolarHBondContact O-N 2.88Å; L278-L296 CarbonylContact C-O 3.51Å; L278-L296 VanDerWaalsContact CA-O 3.28Å; L278-L296 WeakPolarHBondContact CA-O 3.32Å; L278-I297 HydrophobicContact CD2-CB 4.46Å; L278-I297 HydrophobicContact CD2-CG1 3.9Å
279	V	93.3	Very high	91.8	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.024	36%	0.356	C	S	.	.	H	α-helix	trans	-54.5	-38.9	176.3	170.3	0	0	0	0	111.6	D281 V282 Y283 H287 L292 S293 L296 A298	V279-D281 PolarHBondContact O-N 3.35Å; V279-V282 PolarHBondContact O-N 3.36Å; V279-V282 VanDerWaalsContact O-N 3.14Å; V279-Y283 HydrophobicContact CG1-CD2 3.95Å; V279-Y283 PolarHBondContact O-N 2.64Å; V279-H287 HydrophobicContact CG1-CB 4.16Å; V279-L292 HydrophobicContact CG1-CB 4.31Å; V279-L292 HydrophobicContact CG2-CB 4.29Å; V279-S293 WeakPolarHBondContact CB-O 3.4Å; V279-L296 HydrophobicContact CG2-CB 3.91Å; V279-L296 HydrophobicContact CG2-CD2 4.33Å; V279-L296 HydrophobicContact CG2-CG 4.41Å; V279-L296 PolarHBondContact N-O 3.09Å; V279-A298 HydrophobicContact CG2-CB 4.12Å
280	R	94.4	Very high	91.4	Very high	103 Å²	103	63.5 Å²	63.5	39%	0.389	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-26.4	176.1	71.1	-171.1	-175.1	-164.4	4.4	114	L278 V282 G284 G285 G294 N295	L278-R280 HydrophobicContact CB-CG 4.09Å; L278-R280 PolarHBondContact O-N 2.93Å; R280-V282 VanDerWaalsContact C-N 3.26Å; R280-G284 WeakPolarHBondContact O-CA 3.48Å; R280-G284 PolarHBondContact O-N 3.43Å; R280-G285 WeakPolarHBondContact CA-O 3.39Å; R280-G294 VanDerWaalsContact CB-O 3.32Å; R280-G294 WeakPolarHBondContact CB-O 3.31Å; R280-G294 VanDerWaalsContact CG-O 3.28Å; R280-G294 WeakPolarHBondContact CG-O 3.34Å; R280-G294 PolarHBondContact N-O 2.87Å; R280-N295 PolarHBondContact NH1-OD1 3.06Å
281	D	92.3	Very high	90.9	Very high	74 Å²	74	66.1 Å²	66.1	40%	0.396	38%	0.38	S	S	.	.	H	α-helix	trans	-75	-22.4	178.5	-54.6	-34.4	0	0	0	110.8	M277 L278 V279 K303	M277-D281 HydrophobicContact CG-CB 4.13Å; L278-D281 WeakPolarHBondContact CB-OD2 3.3Å; L278-D281 PolarHBondContact N-OD2 3.3Å; L278-D281 WeakPolarHBondContact O-CA 3.28Å; L278-D281 WeakPolarHBondContact O-CB 3.28Å; L278-D281 PolarHBondContact O-N 3.29Å; V279-D281 PolarHBondContact O-N 3.35Å; D281-K303 IonicContact OD1-NZ 2.84Å; D281-K303 WeakPolarHBondContact OD2-CE 3.32Å; D281-K303 IonicContact OD2-NZ 2.7Å; D281-K303 PolarHBondContact OD2-NZ 3.48Å
282	V	90.7	Very high	90.5	Very high	77 Å²	77	63.4 Å²	63.4	47%	0.467	37%	0.369	S	S	.	.	H	α-helix	trans	-93.2	-45	176.8	-177.9	0	0	0	0	111.8	M277 L278 V279 R280 A298	M277-V282 HydrophobicContact CG-CG2 4.12Å; M277-V282 HydrophobicContact SD-CG2 3.78Å; L278-V282 PolarHBondContact O-N 2.88Å; V279-V282 PolarHBondContact O-N 3.36Å; V279-V282 VanDerWaalsContact O-N 3.14Å; R280-V282 VanDerWaalsContact C-N 3.26Å; V282-A298 HydrophobicContact CG2-CB 4.36Å
283	Y	91.3	Very high	90.2	Very high	139 Å²	139	63.8 Å²	63.8	55%	0.545	38%	0.376	S	S	.	.	H	α-helix	trans	-108.3	1.4	-169.9	-65.7	-81	0	0	0	114.3	V279 G285 H287	V279-Y283 HydrophobicContact CG1-CD2 3.95Å; V279-Y283 PolarHBondContact O-N 2.64Å; Y283-G285 PolarHBondContact O-N 2.81Å; Y283-H287 AromaticContact CD1-CD2 3.61Å; Y283-H287 AromaticContact CE1-CD2 3.41Å; Y283-H287 VanDerWaalsContact CE1-CD2 3.41Å; Y283-H287 WeakPolarHBondContact CE1-CD2 3.49Å; Y283-H287 AromaticContact CE1-NE2 3.8Å; Y283-H287 AromaticContact CE2-CD2 3.85Å; Y283-H287 AromaticContact CG-CD2 3.92Å; Y283-H287 AromaticContact CZ-CD2 3.53Å
284	G	90.4	Very high	89.9	Confident	76 Å²	76	63.3 Å²	63.3	78%	0.784	37%	0.374	S	S	*	.	S	Bend	trans	72.1	5.2	-176.8	0	0	0	0	0	114.9	R280	R280-G284 WeakPolarHBondContact O-CA 3.48Å; R280-G284 PolarHBondContact O-N 3.43Å
285	G	91.3	Very high	89.6	Confident	27 Å²	27	65.1 Å²	65.1	28%	0.278	38%	0.384	S	S	.	.	S	Bend	trans	175.2	-154.2	-177.5	0	0	0	0	0	112.9	R280 Y283	R280-G285 WeakPolarHBondContact CA-O 3.39Å; Y283-G285 PolarHBondContact O-N 2.81Å
286	A	88.6	Confident	89.3	Confident	60 Å²	60	66.7 Å²	66.7	50%	0.496	39%	0.392	S	S	.	.			trans	-76.7	143.3	170.9	0	0	0	0	0	111	Q288	A286-Q288 PolarHBondContact O-N 3.11Å
287	H	89.1	Confident	89.1	Confident	39 Å²	39	68.3 Å²	68.3	18%	0.181	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-90.2	87.6	175.2	-167.8	-49.4	0	0	0	110.3	V279 Y283 T289 L290 G291 L292	V279-H287 HydrophobicContact CG1-CB 4.16Å; Y283-H287 AromaticContact CD1-CD2 3.61Å; Y283-H287 AromaticContact CE1-CD2 3.41Å; Y283-H287 VanDerWaalsContact CE1-CD2 3.41Å; Y283-H287 WeakPolarHBondContact CE1-CD2 3.49Å; Y283-H287 AromaticContact CE1-NE2 3.8Å; Y283-H287 AromaticContact CE2-CD2 3.85Å; Y283-H287 AromaticContact CG-CD2 3.92Å; Y283-H287 AromaticContact CZ-CD2 3.53Å; H287-T289 PolarHBondContact O-N 2.89Å; H287-L290 PolarHBondContact ND1-N 3.18Å; H287-L290 PolarHBondContact O-N 3.12Å; H287-G291 PolarHBondContact O-N 3.15Å; H287-G291 VanDerWaalsContact O-N 3.11Å; H287-L292 HydrophobicContact CB-CB 4.17Å; H287-L292 PolarHBondContact N-O 3.16Å; H287-L292 PolarHBondContact O-N 3.09Å
288	Q	86.1	Confident	89	Confident	179 Å²	179	68.5 Å²	68.5	84%	0.836	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-56.1	-44.6	-171.3	-65.2	-178.5	-2.6	0	0	113.9	A286 L290 G291	A286-Q288 PolarHBondContact O-N 3.11Å; Q288-L290 VanDerWaalsContact C-N 3.27Å; Q288-L290 PolarHBondContact O-N 3.12Å; Q288-G291 PolarHBondContact O-N 3.4Å; Q288-G291 VanDerWaalsContact O-N 3.08Å
289	T	84.4	Confident	88.9	Confident	134 Å²	134	71 Å²	71	82%	0.822	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-62.6	-31.6	-176.5	-41.8	0	0	0	0	113.8	H287	H287-T289 PolarHBondContact O-N 2.89Å
290	L	81.5	Confident	89	Confident	112 Å²	112	72.6 Å²	72.6	59%	0.586	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-98.6	-1.6	179.9	-65.4	176.1	0	0	0	111.9	H287 Q288 L292	H287-L290 PolarHBondContact ND1-N 3.18Å; H287-L290 PolarHBondContact O-N 3.12Å; Q288-L290 VanDerWaalsContact C-N 3.27Å; Q288-L290 PolarHBondContact O-N 3.12Å; L290-L292 HydrophobicContact CB-CD1 4.14Å; L290-L292 HydrophobicContact CB-CG 3.89Å; L290-L292 HydrophobicContact CD1-CD1 4.28Å; L290-L292 PolarHBondContact O-N 3.29Å
291	G	81.3	Confident	89.1	Confident	64 Å²	64	69.4 Å²	69.4	66%	0.66	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	20.6	-176.6	0	0	0	0	0	114.5	H287 Q288	H287-G291 PolarHBondContact O-N 3.15Å; H287-G291 VanDerWaalsContact O-N 3.11Å; Q288-G291 PolarHBondContact O-N 3.4Å; Q288-G291 VanDerWaalsContact O-N 3.08Å
292	L	84.7	Confident	89.2	Confident	57 Å²	57	66.4 Å²	66.4	30%	0.298	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-88.3	122.3	-177.6	-52.7	176.9	0	0	0	110.8	V279 H287 L290 L296	V279-L292 HydrophobicContact CG1-CB 4.31Å; V279-L292 HydrophobicContact CG2-CB 4.29Å; H287-L292 HydrophobicContact CB-CB 4.17Å; H287-L292 PolarHBondContact N-O 3.16Å; H287-L292 PolarHBondContact O-N 3.09Å; L290-L292 HydrophobicContact CB-CD1 4.14Å; L290-L292 HydrophobicContact CB-CG 3.89Å; L290-L292 HydrophobicContact CD1-CD1 4.28Å; L290-L292 PolarHBondContact O-N 3.29Å; L292-L296 HydrophobicContact CB-CD2 4.17Å; L292-L296 HydrophobicContact CD2-CD2 3.77Å; L292-L296 HydrophobicContact CG-CD2 4.44Å
293	S	86.9	Confident	89.3	Confident	48 Å²	48	64.8 Å²	64.8	34%	0.336	40%	0.401	S	S	.	.			trans	-66.8	146.3	175.8	84.4	0	0	0	0	111.3	V279 N295 L296	V279-S293 WeakPolarHBondContact CB-O 3.4Å; S293-N295 PolarHBondContact O-N 3.45Å; S293-N295 VanDerWaalsContact O-N 3.17Å; S293-L296 WeakPolarHBondContact O-CB 3.41Å; S293-L296 PolarHBondContact O-N 3.17Å; S293-L296 VanDerWaalsContact O-N 3.07Å; S293-L296 PolarHBondContact OG-N 3.07Å
294	G	87.6	Confident	89.3	Confident	11 Å²	11	61.1 Å²	61.1	11%	0.113	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.5	179.7	0	0	0	0	0	114.2	R280	R280-G294 VanDerWaalsContact CB-O 3.32Å; R280-G294 WeakPolarHBondContact CB-O 3.31Å; R280-G294 VanDerWaalsContact CG-O 3.28Å; R280-G294 WeakPolarHBondContact CG-O 3.34Å; R280-G294 PolarHBondContact N-O 2.87Å
295	N	88.4	Confident	89.1	Confident	107 Å²	107	61.8 Å²	61.8	57%	0.572	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.2	178.2	-65.7	-23.8	0	0	0	113.2	R280 S293	R280-N295 PolarHBondContact NH1-OD1 3.06Å; S293-N295 PolarHBondContact O-N 3.45Å; S293-N295 VanDerWaalsContact O-N 3.17Å
296	L	87.7	Confident	88.7	Confident	34 Å²	34	65.9 Å²	65.9	18%	0.178	41%	0.414	C	S	.	.	S	Bend	trans	-67.5	139.6	176.2	-173.8	67.6	0	0	0	109.9	L278 V279 L292 S293 A298 F367	L278-L296 CarbonylContact C-O 3.51Å; L278-L296 VanDerWaalsContact CA-O 3.28Å; L278-L296 WeakPolarHBondContact CA-O 3.32Å; V279-L296 HydrophobicContact CG2-CB 3.91Å; V279-L296 HydrophobicContact CG2-CD2 4.33Å; V279-L296 HydrophobicContact CG2-CG 4.41Å; V279-L296 PolarHBondContact N-O 3.09Å; L292-L296 HydrophobicContact CB-CD2 4.17Å; L292-L296 HydrophobicContact CD2-CD2 3.77Å; L292-L296 HydrophobicContact CG-CD2 4.44Å; S293-L296 WeakPolarHBondContact O-CB 3.41Å; S293-L296 PolarHBondContact O-N 3.17Å; S293-L296 VanDerWaalsContact O-N 3.07Å; S293-L296 PolarHBondContact OG-N 3.07Å; L296-A298 PolarHBondContact O-N 2.84Å; L296-F367 HydrophobicContact CD1-CE1 4.04Å; L296-F367 HydrophobicContact CD1-CE2 4.3Å; L296-F367 HydrophobicContact CD1-CZ 3.81Å; L296-F367 HydrophobicContact CD2-CE1 4.43Å; L296-F367 HydrophobicContact CD2-CZ 3.96Å
297	I	91.8	Very high	88.3	Confident	34 Å²	34	64.6 Å²	64.6	17%	0.174	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	120.4	173.1	-61.8	168.8	0	0	0	108.2	D276 L278 H322	D276-I297 HydrophobicContact CB-CG1 4.31Å; D276-I297 HydrophobicContact CB-CG2 4.24Å; D276-I297 WeakPolarHBondContact OD2-CD1 3.41Å; L278-I297 HydrophobicContact CD2-CB 4.46Å; L278-I297 HydrophobicContact CD2-CG1 3.9Å; I297-H322 HydrophobicContact CD1-CB 4.32Å
298	A	91.9	Very high	87.8	Confident	56 Å²	56	71.4 Å²	71.4	46%	0.463	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-40.2	172.9	0	0	0	0	0	111.1	M277 V279 V282 L296	M277-A298 PolarHBondContact O-N 3.18Å; V279-A298 HydrophobicContact CG2-CB 4.12Å; V282-A298 HydrophobicContact CG2-CB 4.36Å; L296-A298 PolarHBondContact O-N 2.84Å
299	S	94.4	Very high	87.6	Confident	57 Å²	57	68.5 Å²	68.5	40%	0.399	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	114.1	174.8	-175.1	0	0	0	0	110.6	M277 G302	M277-S299 PolarHBondContact N-O 3.25Å; M277-S299 PolarHBondContact O-N 2.99Å; S299-G302 PolarHBondContact O-N 2.9Å; S299-G302 VanDerWaalsContact O-N 3.08Å
300	S	94.6	Very high	87.6	Confident	36 Å²	36	71.6 Å²	71.6	25%	0.252	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	137.6	172.2	-67.1	0	0	0	0	110.5	D276 G302	D276-S300 WeakPolarHBondContact OD1-CA 3.2Å; S300-G302 PolarHBondContact O-N 3.42Å
301	F	95.3	Very high	88.2	Confident	37 Å²	37	68 Å²	68	16%	0.162	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	9.2	-173.1	-65.5	-94.2	0	0	0	115.8	L254 V275 D276 K303 S304 M316 S319 L320 M323	L254-F301 HydrophobicContact CD1-CE1 4.02Å; L254-F301 HydrophobicContact CD1-CZ 4.07Å; V275-F301 HydrophobicContact CG1-CB 4.35Å; V275-F301 HydrophobicContact CG1-CD1 3.39Å; V275-F301 HydrophobicContact CG1-CE1 3.81Å; V275-F301 HydrophobicContact CG1-CG 3.98Å; V275-F301 CarbonylContact O-C 3.55Å; V275-F301 VanDerWaalsContact O-C 3.31Å; V275-F301 WeakPolarHBondContact O-CA 3.39Å; D276-F301 PolarHBondContact OD1-N 3.28Å; F301-K303 VanDerWaalsContact C-N 3.26Å; F301-K303 PolarHBondContact O-N 3.3Å; F301-K303 VanDerWaalsContact O-N 3.12Å; F301-S304 WeakPolarHBondContact O-CB 3.43Å; F301-S304 PolarHBondContact O-N 2.8Å; F301-S304 PolarHBondContact O-OG 2.97Å; F301-M316 HydrophobicContact CE1-CB 4.41Å; F301-S319 WeakPolarHBondContact CD2-OG 3.41Å; F301-S319 VanDerWaalsContact CE2-OG 3.27Å; F301-S319 WeakPolarHBondContact CE2-OG 3.35Å; F301-L320 HydrophobicContact CE2-CB 4.29Å; F301-L320 HydrophobicContact CE2-CD1 4.25Å; F301-L320 HydrophobicContact CZ-CB 3.89Å; F301-L320 HydrophobicContact CZ-CD1 4.34Å; F301-M323 HydrophobicContact CD2-SD 4.05Å; F301-M323 HydrophobicContact CE2-CE 4.29Å; F301-M323 HydrophobicContact CE2-SD 4.14Å
302	G	94.7	Very high	88.9	Confident	10 Å²	10	67.1 Å²	67.1	10%	0.103	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-61.6	-27.9	-169.8	0	0	0	0	0	114.8	M277 S299 S300 S304	M277-G302 WeakPolarHBondContact CE-O 3.21Å; S299-G302 PolarHBondContact O-N 2.9Å; S299-G302 VanDerWaalsContact O-N 3.08Å; S300-G302 PolarHBondContact O-N 3.42Å; G302-S304 VanDerWaalsContact C-N 3.28Å; G302-S304 PolarHBondContact O-N 3.19Å
303	K	94.3	Very high	89.4	Confident	43 Å²	43	69.1 Å²	69.1	19%	0.187	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-72.7	-23.2	177.7	-66.9	176	174.8	158.3	0	112.7	S273 N274 V275 D276 M277 D281 F301 A305 T306 A307 F311	S273-K303 PolarHBondContact O-NZ 2.83Å; N274-K303 WeakPolarHBondContact O-CD 3.34Å; V275-K303 WeakPolarHBondContact O-CB 3.38Å; V275-K303 PolarHBondContact O-N 3.47Å; V275-K303 VanDerWaalsContact O-N 3.15Å; D276-K303 WeakPolarHBondContact O-CD 3.22Å; D276-K303 WeakPolarHBondContact O-CE 3.49Å; D276-K303 PolarHBondContact O-NZ 2.66Å; M277-K303 HydrophobicContact CB-CG 4.5Å; D281-K303 IonicContact OD1-NZ 2.84Å; D281-K303 WeakPolarHBondContact OD2-CE 3.32Å; D281-K303 IonicContact OD2-NZ 2.7Å; D281-K303 PolarHBondContact OD2-NZ 3.48Å; F301-K303 VanDerWaalsContact C-N 3.26Å; F301-K303 PolarHBondContact O-N 3.3Å; F301-K303 VanDerWaalsContact O-N 3.12Å; K303-A305 PolarHBondContact O-N 3.46Å; K303-T306 PolarHBondContact O-N 2.81Å; K303-A307 WeakPolarHBondContact O-CB 3.29Å; K303-A307 PolarHBondContact O-N 3.35Å; K303-F311 HydrophobicContact CB-CZ 4.34Å
304	S	90.2	Very high	89.8	Confident	62 Å²	62	69.7 Å²	69.7	43%	0.434	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-66.7	-20	-178.8	70.1	0	0	0	0	113.9	F301 G302	F301-S304 WeakPolarHBondContact O-CB 3.43Å; F301-S304 PolarHBondContact O-N 2.8Å; F301-S304 PolarHBondContact O-OG 2.97Å; G302-S304 VanDerWaalsContact C-N 3.28Å; G302-S304 PolarHBondContact O-N 3.19Å
305	A	87.4	Confident	90.2	Very high	90 Å²	90	70.1 Å²	70.1	74%	0.744	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-79.1	-19.8	177.1	0	0	0	0	0	113.5	K303	K303-A305 PolarHBondContact O-N 3.46Å
306	T	81.2	Confident	90.6	Very high	113 Å²	113	66.4 Å²	66.4	69%	0.693	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	-11.7	-169.3	59.5	0	0	0	0	114.1	K303	K303-T306 PolarHBondContact O-N 2.81Å
307	A	80.6	Confident	90.9	Very high	34 Å²	34	64.9 Å²	64.9	28%	0.281	37%	0.371	S	S	.	.			trans	-91.6	131.7	-177.8	0	0	0	0	0	111.2	K303 Q309 F311	K303-A307 WeakPolarHBondContact O-CB 3.29Å; K303-A307 PolarHBondContact O-N 3.35Å; A307-Q309 HydrophobicContact CB-CG 4.16Å; A307-Q309 PolarHBondContact O-N 2.9Å; A307-F311 HydrophobicContact CB-CZ 3.84Å
308	D	78.1	Confident	91	Very high	181 Å²	181	64.3 Å²	64.3	97%	0.968	37%	0.367	S	S	*	.	S	Bend	trans	-83.4	28.8	174.4	-72.2	-29.4	0	0	0	112.9
309	Q	81.9	Confident	91.1	Very high	119 Å²	119	61.6 Å²	61.6	56%	0.556	35%	0.345	S	S	*	.	S	Bend	trans	-124.6	147.3	-178.1	74.3	-177.7	3.5	0	0	111.8	A307 F311	A307-Q309 HydrophobicContact CB-CG 4.16Å; A307-Q309 PolarHBondContact O-N 2.9Å; Q309-F311 HydrophobicContact CG-CE1 4.39Å; Q309-F311 HydrophobicContact CG-CZ 4.46Å
310	E	85.8	Confident	91.2	Very high	198 Å²	198	59 Å²	59	93%	0.925	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-74.9	137.4	169.5	-66.4	-167.1	157.9	0	0	110.7
311	F	92.9	Very high	91.1	Very high	37 Å²	37	57.3 Å²	57.3	16%	0.162	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-93.1	145.1	176.1	-58.7	-82.8	0	0	0	110.8	N274 V275 K303 A307 Q309 M316	N274-F311 WeakPolarHBondContact O-CE1 3.31Å; V275-F311 HydrophobicContact CB-CD1 4.37Å; V275-F311 HydrophobicContact CG2-CB 3.9Å; V275-F311 HydrophobicContact CG2-CD1 3.53Å; V275-F311 HydrophobicContact CG2-CE1 4.29Å; V275-F311 HydrophobicContact CG2-CG 3.83Å; K303-F311 HydrophobicContact CB-CZ 4.34Å; A307-F311 HydrophobicContact CB-CZ 3.84Å; Q309-F311 HydrophobicContact CG-CE1 4.39Å; Q309-F311 HydrophobicContact CG-CZ 4.46Å; F311-M316 HydrophobicContact CB-CG 3.9Å; F311-M316 HydrophobicContact CB-SD 4.32Å
312	S	95.6	Very high	90.9	Very high	46 Å²	46	56.6 Å²	56.6	32%	0.322	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-65.9	152.7	174.9	74.3	0	0	0	0	111.3	E314 D315 M316	S312-E314 PolarHBondContact O-N 2.53Å; S312-D315 PolarHBondContact O-N 2.79Å; S312-D315 VanDerWaalsContact OG-CB 3.3Å; S312-D315 WeakPolarHBondContact OG-CB 3.28Å; S312-D315 PolarHBondContact OG-N 2.82Å; S312-D315 VanDerWaalsContact OG-N 3.07Å; S312-D315 PolarHBondContact OG-OD1 2.78Å; S312-D315 PolarHBondContact OG-OD2 2.83Å; S312-M316 WeakPolarHBondContact O-CG 3.46Å; S312-M316 PolarHBondContact O-N 3.3Å; S312-M316 VanDerWaalsContact O-N 3.1Å
313	K	95.8	Very high	90.9	Very high	99 Å²	99	58.8 Å²	58.8	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-63.1	-36.9	177.6	-65.9	-178	179	-165.9	0	111.2	T255 L266 M316 A317	T255-K313 HydrophobicContact CG2-CB 4.03Å; T255-K313 VanDerWaalsContact O-CD 3.32Å; T255-K313 WeakPolarHBondContact O-CD 3.3Å; T255-K313 WeakPolarHBondContact O-CE 3.43Å; T255-K313 PolarHBondContact O-NZ 2.85Å; L266-K313 HydrophobicContact CD1-CB 4.43Å; K313-M316 HydrophobicContact CG-CE 4.5Å; K313-A317 VanDerWaalsContact O-CB 3.26Å; K313-A317 WeakPolarHBondContact O-CB 3.26Å; K313-A317 PolarHBondContact O-N 3.35Å
314	E	95.9	Very high	90.9	Very high	59 Å²	59	56.8 Å²	56.8	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-61.1	-49.6	176.7	-65.9	79.8	177.6	0	0	110.9	L266 R269 G270 S312 A317 K318	L266-E314 HydrophobicContact CD2-CG 3.85Å; R269-E314 HydrophobicContact CB-CG 4.25Å; G270-E314 WeakPolarHBondContact CA-O 3.47Å; S312-E314 PolarHBondContact O-N 2.53Å; E314-A317 PolarHBondContact O-N 3.4Å; E314-K318 WeakPolarHBondContact O-CB 3.17Å; E314-K318 PolarHBondContact O-N 3.49Å
315	D	95.6	Very high	91	Very high	20 Å²	20	53.8 Å²	53.8	11%	0.107	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-42.2	-179.8	-63.1	-21.5	0	0	0	111.7	Q271 N274 V275 S312 K318 S319	Q271-D315 WeakPolarHBondContact CA-OD1 3.1Å; Q271-D315 PolarHBondContact N-OD1 2.87Å; N274-D315 HydrophobicContact CB-CB 4.41Å; N274-D315 PolarHBondContact ND2-OD2 2.99Å; V275-D315 HydrophobicContact CG2-CB 3.66Å; S312-D315 PolarHBondContact O-N 2.79Å; S312-D315 VanDerWaalsContact OG-CB 3.3Å; S312-D315 WeakPolarHBondContact OG-CB 3.28Å; S312-D315 PolarHBondContact OG-N 2.82Å; S312-D315 VanDerWaalsContact OG-N 3.07Å; S312-D315 PolarHBondContact OG-OD1 2.78Å; S312-D315 PolarHBondContact OG-OD2 2.83Å; D315-K318 PolarHBondContact O-N 3.33Å; D315-S319 WeakPolarHBondContact O-CB 3.46Å; D315-S319 PolarHBondContact O-N 3.14Å
316	M	96.1	Very high	91.1	Very high	30 Å²	30	51 Å²	51	15%	0.148	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-44	175.5	-70.3	-171.1	-69.9	0	0	111.7	L254 V275 F301 F311 S312 K313 K318 S319 L320	L254-M316 HydrophobicContact CB-SD 4.41Å; L254-M316 HydrophobicContact CD2-SD 4.33Å; V275-M316 HydrophobicContact CG2-CG 4.3Å; F301-M316 HydrophobicContact CE1-CB 4.41Å; F311-M316 HydrophobicContact CB-CG 3.9Å; F311-M316 HydrophobicContact CB-SD 4.32Å; S312-M316 WeakPolarHBondContact O-CG 3.46Å; S312-M316 PolarHBondContact O-N 3.3Å; S312-M316 VanDerWaalsContact O-N 3.1Å; K313-M316 HydrophobicContact CG-CE 4.5Å; M316-K318 VanDerWaalsContact C-N 3.32Å; M316-K318 PolarHBondContact O-N 2.83Å; M316-S319 PolarHBondContact O-N 3.16Å; M316-L320 WeakPolarHBondContact O-CB 3.19Å; M316-L320 PolarHBondContact O-N 3.04Å
317	A	94.7	Very high	91.6	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-39.5	176.4	0	0	0	0	0	111.7	T255 L263 L266 A267 K313 E314 L321	T255-A317 HydrophobicContact CG2-CB 4.32Å; L263-A317 HydrophobicContact CD1-CB 3.89Å; L266-A317 HydrophobicContact CB-CB 3.81Å; A267-A317 HydrophobicContact CB-CB 4.02Å; K313-A317 VanDerWaalsContact O-CB 3.26Å; K313-A317 WeakPolarHBondContact O-CB 3.26Å; K313-A317 PolarHBondContact O-N 3.35Å; E314-A317 PolarHBondContact O-N 3.4Å; A317-L321 WeakPolarHBondContact O-CB 3.32Å; A317-L321 PolarHBondContact O-N 3.19Å
318	K	93.4	Very high	92.3	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.096	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-50.4	175.6	-173.7	80.3	-179.8	177.7	0	111.9	A267 G270 H272 E314 D315 M316 L320 L321 H322	A267-K318 WeakPolarHBondContact O-CD 3.46Å; A267-K318 PolarHBondContact O-NZ 3.06Å; G270-K318 WeakPolarHBondContact O-CD 3.44Å; G270-K318 WeakPolarHBondContact O-CG 3.46Å; H272-K318 HydrophobicContact CB-CB 4.32Å; H272-K318 HydrophobicContact CB-CG 3.72Å; E314-K318 WeakPolarHBondContact O-CB 3.17Å; E314-K318 PolarHBondContact O-N 3.49Å; D315-K318 PolarHBondContact O-N 3.33Å; M316-K318 VanDerWaalsContact C-N 3.32Å; M316-K318 PolarHBondContact O-N 2.83Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 2.94Å; K318-L321 PolarHBondContact O-N 2.69Å; K318-H322 VanDerWaalsContact CE-NE2 3.29Å; K318-H322 WeakPolarHBondContact CE-NE2 3.43Å; K318-H322 PolarHBondContact O-N 2.72Å
319	S	95.2	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-42.7	178	168.1	0	0	0	0	110.9	D276 F301 D315 M316 L321 H322 M323	D276-S319 WeakPolarHBondContact OD1-CB 3.25Å; D276-S319 PolarHBondContact OD1-OG 3.47Å; F301-S319 WeakPolarHBondContact CD2-OG 3.41Å; F301-S319 VanDerWaalsContact CE2-OG 3.27Å; F301-S319 WeakPolarHBondContact CE2-OG 3.35Å; D315-S319 WeakPolarHBondContact O-CB 3.46Å; D315-S319 PolarHBondContact O-N 3.14Å; M316-S319 PolarHBondContact O-N 3.16Å; S319-L321 PolarHBondContact O-N 3.12Å; S319-H322 PolarHBondContact O-N 3.31Å; S319-M323 WeakPolarHBondContact O-CB 3.31Å; S319-M323 PolarHBondContact O-N 3.31Å
320	L	95.4	Very high	93.5	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-61	-46.5	175.9	-171.4	60.8	0	0	0	112.5	F247 L250 G251 L254 F301 M316 K318 H322 M323 I324	F247-L320 HydrophobicContact CD2-CB 4.38Å; F247-L320 HydrophobicContact CD2-CD2 3.91Å; F247-L320 HydrophobicContact CD2-CG 3.84Å; F247-L320 HydrophobicContact CE2-CB 4.37Å; F247-L320 HydrophobicContact CE2-CD2 4.28Å; F247-L320 HydrophobicContact CE2-CG 4.29Å; F247-L320 WeakPolarHBondContact O-CD2 3.5Å; L250-L320 HydrophobicContact CB-CD1 4.05Å; L250-L320 HydrophobicContact CB-CD2 3.84Å; L250-L320 HydrophobicContact CD1-CD1 4Å; G251-L320 VanDerWaalsContact N-CD2 3.26Å; L254-L320 HydrophobicContact CD1-CD2 4.37Å; F301-L320 HydrophobicContact CE2-CB 4.29Å; F301-L320 HydrophobicContact CE2-CD1 4.25Å; F301-L320 HydrophobicContact CZ-CB 3.89Å; F301-L320 HydrophobicContact CZ-CD1 4.34Å; M316-L320 WeakPolarHBondContact O-CB 3.19Å; M316-L320 PolarHBondContact O-N 3.04Å; K318-L320 VanDerWaalsContact C-N 3.31Å; K318-L320 PolarHBondContact O-N 2.94Å; L320-H322 VanDerWaalsContact C-N 3.32Å; L320-H322 PolarHBondContact O-N 2.6Å; L320-M323 HydrophobicContact CD1-CE 3.63Å; L320-M323 PolarHBondContact O-N 3.03Å; L320-I324 HydrophobicContact CD1-CD1 4Å; L320-I324 HydrophobicContact CD1-CG1 4.49Å; L320-I324 HydrophobicContact CG-CD1 4.12Å; L320-I324 WeakPolarHBondContact O-CG1 3.42Å; L320-I324 PolarHBondContact O-N 3.48Å; L320-I324 VanDerWaalsContact O-N 3.12Å
321	L	92.4	Very high	93.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-60.9	-43.1	177.5	-179.3	58.1	0	0	0	111.2	F247 L264 A267 A317 K318 S319 S325 F350 V356	F247-L321 HydrophobicContact CD2-CB 4.37Å; F247-L321 HydrophobicContact CD2-CD1 4.44Å; F247-L321 HydrophobicContact CE2-CB 3.69Å; F247-L321 HydrophobicContact CE2-CD1 4.14Å; F247-L321 HydrophobicContact CE2-CG 4.47Å; F247-L321 HydrophobicContact CZ-CB 4.31Å; F247-L321 HydrophobicContact CZ-CD1 4.35Å; L264-L321 HydrophobicContact CD2-CD1 4.17Å; L264-L321 HydrophobicContact CD2-CD2 4.18Å; A267-L321 HydrophobicContact CB-CB 4.2Å; A267-L321 HydrophobicContact CB-CD2 3.8Å; A317-L321 WeakPolarHBondContact O-CB 3.32Å; A317-L321 PolarHBondContact O-N 3.19Å; K318-L321 PolarHBondContact O-N 2.69Å; S319-L321 PolarHBondContact O-N 3.12Å; L321-S325 WeakPolarHBondContact O-CB 3.34Å; L321-S325 PolarHBondContact O-N 3.23Å; L321-S325 PolarHBondContact O-OG 3.49Å; L321-F350 HydrophobicContact CD1-CE1 4.32Å; L321-F350 HydrophobicContact CD1-CE2 4.3Å; L321-F350 HydrophobicContact CD1-CZ 3.59Å; L321-V356 HydrophobicContact CD2-CB 4.16Å; L321-V356 HydrophobicContact CD2-CG1 3.47Å; L321-V356 VanDerWaalsContact CD2-CG1 3.47Å
322	H	92.3	Very high	94	Very high	23 Å²	23	27 Å²	27	11%	0.106	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-47.3	177	-81.2	-163.1	0	0	0	112.3	H272 I297 K318 S319 L320 I324 S325 N326	H272-H322 AromaticContact CD2-CE1 3.35Å; H272-H322 PolarHBondContact CD2-CE1 2.94Å; H272-H322 AromaticContact CD2-ND1 3.44Å; H272-H322 PolarHBondContact CD2-ND1 3.46Å; H272-H322 AromaticContact CE1-ND1 3.91Å; H272-H322 AromaticContact CG-CE1 3.71Å; H272-H322 AromaticContact CG-ND1 3.32Å; H272-H322 VanDerWaalsContact CG-ND1 3.32Å; H272-H322 AromaticContact ND1-ND1 3.63Å; H272-H322 AromaticContact NE2-CE1 3.77Å; H272-H322 AromaticContact NE2-ND1 3.81Å; I297-H322 HydrophobicContact CD1-CB 4.32Å; K318-H322 VanDerWaalsContact CE-NE2 3.29Å; K318-H322 WeakPolarHBondContact CE-NE2 3.43Å; K318-H322 PolarHBondContact O-N 2.72Å; S319-H322 PolarHBondContact O-N 3.31Å; L320-H322 VanDerWaalsContact C-N 3.32Å; L320-H322 PolarHBondContact O-N 2.6Å; H322-I324 VanDerWaalsContact C-N 3.35Å; H322-I324 PolarHBondContact O-N 3.09Å; H322-S325 PolarHBondContact O-N 2.86Å; H322-N326 WeakPolarHBondContact O-CB 3.34Å; H322-N326 PolarHBondContact O-N 3.07Å; H322-N326 PolarHBondContact O-ND2 3.48Å
323	M	94.3	Very high	94	Very high	56 Å²	56	25 Å²	25	28%	0.276	12%	0.121	S	C	.	.	H	α-helix	trans	-55.4	-51	179	-177.2	178.8	76.1	0	0	111	F301 S319 L320 D327	F301-M323 HydrophobicContact CD2-SD 4.05Å; F301-M323 HydrophobicContact CE2-CE 4.29Å; F301-M323 HydrophobicContact CE2-SD 4.14Å; S319-M323 WeakPolarHBondContact O-CB 3.31Å; S319-M323 PolarHBondContact O-N 3.31Å; L320-M323 HydrophobicContact CD1-CE 3.63Å; L320-M323 PolarHBondContact O-N 3.03Å; M323-D327 WeakPolarHBondContact O-CB 3.32Å; M323-D327 PolarHBondContact O-N 2.73Å
324	I	93.4	Very high	94	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-68.8	-46.6	-177.7	-65.7	175.1	0	0	0	111.1	I242 T246 F247 L320 H322 N326 D327 I328 F350	I242-I324 HydrophobicContact CG2-CB 4.42Å; I242-I324 HydrophobicContact CG2-CG1 3.82Å; I242-I324 HydrophobicContact CG2-CG2 4.3Å; T246-I324 HydrophobicContact CG2-CD1 4.37Å; F247-I324 HydrophobicContact CB-CD1 3.52Å; F247-I324 HydrophobicContact CD2-CD1 4.22Å; F247-I324 HydrophobicContact CG-CD1 4.38Å; F247-I324 VanDerWaalsContact N-CD1 3.31Å; L320-I324 HydrophobicContact CD1-CD1 4Å; L320-I324 HydrophobicContact CD1-CG1 4.49Å; L320-I324 HydrophobicContact CG-CD1 4.12Å; L320-I324 WeakPolarHBondContact O-CG1 3.42Å; L320-I324 PolarHBondContact O-N 3.48Å; L320-I324 VanDerWaalsContact O-N 3.12Å; H322-I324 VanDerWaalsContact C-N 3.35Å; H322-I324 PolarHBondContact O-N 3.09Å; I324-N326 VanDerWaalsContact C-N 3.32Å; I324-N326 PolarHBondContact O-N 2.79Å; I324-D327 PolarHBondContact O-N 3.34Å; I324-I328 HydrophobicContact CG2-CD1 3.84Å; I324-I328 VanDerWaalsContact O-CG1 3.25Å; I324-I328 WeakPolarHBondContact O-CG1 3.34Å; I324-I328 PolarHBondContact O-N 2.9Å; I324-F350 HydrophobicContact CG2-CZ 4.22Å
325	S	91.9	Very high	94	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.1	-35.8	-178.8	-55.7	0	0	0	0	112.3	L321 H322 G329 T360	L321-S325 WeakPolarHBondContact O-CB 3.34Å; L321-S325 PolarHBondContact O-N 3.23Å; L321-S325 PolarHBondContact O-OG 3.49Å; H322-S325 PolarHBondContact O-N 2.86Å; S325-G329 PolarHBondContact O-N 3.42Å; S325-T360 VanDerWaalsContact CB-CG2 3.49Å
326	N	90.4	Very high	94	Very high	30 Å²	30	23.2 Å²	23.2	16%	0.16	12%	0.116	C	C	.	.	H	α-helix	trans	-69.3	-42.3	176.7	-74.1	-23.8	0	0	0	111.7	H322 I324 G329 Q330 S364	H322-N326 WeakPolarHBondContact O-CB 3.34Å; H322-N326 PolarHBondContact O-N 3.07Å; H322-N326 PolarHBondContact O-ND2 3.48Å; I324-N326 VanDerWaalsContact C-N 3.32Å; I324-N326 PolarHBondContact O-N 2.79Å; N326-G329 PolarHBondContact O-N 3.11Å; N326-Q330 WeakPolarHBondContact O-CB 3.41Å; N326-Q330 WeakPolarHBondContact O-CG 3.08Å; N326-Q330 PolarHBondContact O-N 3.46Å; N326-S364 PolarHBondContact O-OG 3.18Å
327	D	92.7	Very high	93.9	Very high	49 Å²	49	28 Å²	28	26%	0.262	13%	0.133	S	C	.	.	H	α-helix	trans	-57.8	-48.7	174.3	-176.9	70.5	0	0	0	111	M323 I324 G329 Q330 L331	M323-D327 WeakPolarHBondContact O-CB 3.32Å; M323-D327 PolarHBondContact O-N 2.73Å; I324-D327 PolarHBondContact O-N 3.34Å; D327-G329 PolarHBondContact O-N 2.75Å; D327-Q330 PolarHBondContact O-N 3.37Å; D327-L331 WeakPolarHBondContact O-CG 3.34Å; D327-L331 PolarHBondContact O-N 2.84Å
328	I	93.9	Very high	93.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-58.9	-47.8	176.2	-67.2	172.4	0	0	0	111.2	V217 I219 V223 I324 Q330 L331 A332 F346	V217-I328 HydrophobicContact CG1-CG2 4.03Å; I219-I328 HydrophobicContact CD1-CD1 4.08Å; I219-I328 HydrophobicContact CD1-CG2 3.88Å; I219-I328 HydrophobicContact CG1-CD1 4.3Å; I219-I328 HydrophobicContact CG1-CG2 4.27Å; I219-I328 HydrophobicContact CG2-CD1 3.76Å; V223-I328 HydrophobicContact CG2-CD1 3.83Å; V223-I328 HydrophobicContact CG2-CG1 3.89Å; I324-I328 HydrophobicContact CG2-CD1 3.84Å; I324-I328 VanDerWaalsContact O-CG1 3.25Å; I324-I328 WeakPolarHBondContact O-CG1 3.34Å; I324-I328 PolarHBondContact O-N 2.9Å; I328-Q330 VanDerWaalsContact C-N 3.33Å; I328-Q330 PolarHBondContact O-N 2.72Å; I328-L331 PolarHBondContact O-N 2.86Å; I328-A332 WeakPolarHBondContact O-CB 3.32Å; I328-A332 PolarHBondContact O-N 3.45Å; I328-F346 HydrophobicContact CG2-CE1 4.06Å
329	G	92.9	Very high	94.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.6	-37.3	178.5	0	0	0	0	0	113.1	S325 N326 D327 C333 I365	S325-G329 PolarHBondContact O-N 3.42Å; N326-G329 PolarHBondContact O-N 3.11Å; D327-G329 PolarHBondContact O-N 2.75Å; G329-C333 VanDerWaalsContact O-CB 3.29Å; G329-C333 WeakPolarHBondContact O-CB 3.29Å; G329-C333 PolarHBondContact O-N 3.37Å; G329-I365 WeakPolarHBondContact O-CD1 3.35Å
330	Q	92	Very high	94.1	Very high	87 Å²	87	40.5 Å²	40.5	41%	0.407	21%	0.207	S	C	.	.	H	α-helix	trans	-65	-49.5	175.6	-79	176	48.4	0	0	111.8	N326 D327 I328 C333 L334 F368	N326-Q330 WeakPolarHBondContact O-CB 3.41Å; N326-Q330 WeakPolarHBondContact O-CG 3.08Å; N326-Q330 PolarHBondContact O-N 3.46Å; D327-Q330 PolarHBondContact O-N 3.37Å; I328-Q330 VanDerWaalsContact C-N 3.33Å; I328-Q330 PolarHBondContact O-N 2.72Å; Q330-C333 PolarHBondContact O-N 2.76Å; Q330-L334 WeakPolarHBondContact O-CB 3.18Å; Q330-L334 PolarHBondContact O-N 2.82Å; Q330-F368 HydrophobicContact CB-CE2 4.44Å; Q330-F368 VanDerWaalsContact CD-CZ 3.41Å; Q330-F368 HydrophobicContact CG-CD1 4.36Å; Q330-F368 HydrophobicContact CG-CD2 3.45Å; Q330-F368 VanDerWaalsContact CG-CD2 3.45Å; Q330-F368 HydrophobicContact CG-CE1 4Å; Q330-F368 HydrophobicContact CG-CE2 3.07Å; Q330-F368 HydrophobicContact CG-CG 4.13Å; Q330-F368 HydrophobicContact CG-CZ 3.37Å
331	L	94.9	Very high	94	Very high	43 Å²	43	40.9 Å²	40.9	23%	0.225	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-45.8	178.2	-69.7	174	0	0	0	111.3	I225 D327 I328 C333 L334 H335	I225-L331 HydrophobicContact CD1-CB 3.98Å; D327-L331 WeakPolarHBondContact O-CG 3.34Å; D327-L331 PolarHBondContact O-N 2.84Å; I328-L331 PolarHBondContact O-N 2.86Å; L331-C333 PolarHBondContact O-N 3.05Å; L331-L334 PolarHBondContact O-N 2.83Å; L331-H335 PolarHBondContact O-CD2 3.22Å; L331-H335 PolarHBondContact O-N 3.39Å
332	A	95.6	Very high	94	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-45	176.9	0	0	0	0	0	111.9	V217 I328 H335 A336 V344 F346 I365	V217-A332 HydrophobicContact CG2-CB 3.79Å; I328-A332 WeakPolarHBondContact O-CB 3.32Å; I328-A332 PolarHBondContact O-N 3.45Å; A332-H335 PolarHBondContact O-N 2.89Å; A332-A336 VanDerWaalsContact O-CB 3.24Å; A332-A336 WeakPolarHBondContact O-CB 3.49Å; A332-A336 PolarHBondContact O-N 3.42Å; A332-V344 HydrophobicContact CB-CG1 4.32Å; A332-F346 HydrophobicContact CB-CE1 3.97Å; A332-F346 HydrophobicContact CB-CZ 3.78Å; A332-I365 HydrophobicContact CB-CD1 3.82Å
333	C	94.9	Very high	94.1	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-61.9	-46	175.2	-173.4	0	0	0	0	111.8	G329 Q330 L331 H335 A336 R337 I365 F368	G329-C333 VanDerWaalsContact O-CB 3.29Å; G329-C333 WeakPolarHBondContact O-CB 3.29Å; G329-C333 PolarHBondContact O-N 3.37Å; Q330-C333 PolarHBondContact O-N 2.76Å; L331-C333 PolarHBondContact O-N 3.05Å; C333-H335 PolarHBondContact O-N 3.03Å; C333-A336 PolarHBondContact O-N 3.06Å; C333-R337 WeakPolarHBondContact O-CG 3.33Å; C333-R337 PolarHBondContact O-N 3.21Å; C333-I365 HydrophobicContact CB-CD1 4.05Å; C333-F368 HydrophobicContact CB-CB 4.09Å
334	L	94.9	Very high	94.2	Very high	111 Å²	111	43.4 Å²	43.4	58%	0.581	22%	0.221	S	C	*	.	H	α-helix	trans	-58	-49.4	178.9	179.1	65.4	0	0	0	111.4	Q330 L331 R337 L338	Q330-L334 WeakPolarHBondContact O-CB 3.18Å; Q330-L334 PolarHBondContact O-N 2.82Å; L331-L334 PolarHBondContact O-N 2.83Å; L334-R337 PolarHBondContact O-N 3.28Å; L334-L338 VanDerWaalsContact O-CB 3.28Å; L334-L338 WeakPolarHBondContact O-CB 3.29Å; L334-L338 PolarHBondContact O-N 3.45Å
335	H	96.8	Very high	94.3	Very high	28 Å²	28	44 Å²	44	13%	0.13	22%	0.224	C	C	.	.	H	α-helix	trans	-67.1	-40.8	178.7	-78	-71.9	0	0	0	112.3	L215 I225 V237 L331 A332 C333 R337 L338 H339	L215-H335 HydrophobicContact CD2-CB 4.05Å; I225-H335 HydrophobicContact CG2-CB 4.05Å; V237-H335 PolarHBondContact O-CE1 3.25Å; L331-H335 PolarHBondContact O-CD2 3.22Å; L331-H335 PolarHBondContact O-N 3.39Å; A332-H335 PolarHBondContact O-N 2.89Å; C333-H335 PolarHBondContact O-N 3.03Å; H335-R337 VanDerWaalsContact C-N 3.35Å; H335-R337 PolarHBondContact O-N 3.2Å; H335-L338 PolarHBondContact O-N 3.48Å; H335-H339 PolarHBondContact O-CD2 3.21Å; H335-H339 PolarHBondContact O-N 3.02Å
336	A	96.1	Very high	94.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57.4	-48.9	175.8	0	0	0	0	0	110.9	L215 A332 C333 H339 S340 L341 V344 V373	L215-A336 HydrophobicContact CD2-CB 4.19Å; A332-A336 VanDerWaalsContact O-CB 3.24Å; A332-A336 WeakPolarHBondContact O-CB 3.49Å; A332-A336 PolarHBondContact O-N 3.42Å; C333-A336 PolarHBondContact O-N 3.06Å; A336-H339 CarbonylContact O-C 3.47Å; A336-H339 PolarHBondContact O-N 3.39Å; A336-S340 PolarHBondContact O-N 3.49Å; A336-L341 PolarHBondContact O-N 3.04Å; A336-V344 HydrophobicContact CB-CG2 3.75Å; A336-V373 HydrophobicContact CB-CG1 3.94Å; A336-V373 HydrophobicContact CB-CG2 4.05Å
337	R	93.5	Very high	94.4	Very high	131 Å²	131	42.6 Å²	42.6	49%	0.494	22%	0.216	S	C	.	.	H	α-helix	trans	-66.7	-42.5	178.1	-64.3	-171.1	88.6	-171.2	8.3	112.8	C333 L334 H335 H339 S340 E372 V373	C333-R337 WeakPolarHBondContact O-CG 3.33Å; C333-R337 PolarHBondContact O-N 3.21Å; L334-R337 PolarHBondContact O-N 3.28Å; H335-R337 VanDerWaalsContact C-N 3.35Å; H335-R337 PolarHBondContact O-N 3.2Å; R337-H339 PolarHBondContact O-N 2.92Å; R337-S340 PolarHBondContact O-N 3.27Å; R337-S340 VanDerWaalsContact O-N 3.12Å; R337-E372 IonicContact CZ-OE2 3.99Å; R337-E372 IonicContact NE-OE2 3.15Å; R337-E372 PolarHBondContact NE-OE2 3.44Å; R337-E372 IonicContact NH2-OE1 3.5Å; R337-E372 IonicContact NH2-OE2 2.65Å; R337-E372 PolarHBondContact NH2-OE2 3.16Å; R337-V373 HydrophobicContact CG-CG2 4.36Å
338	L	95.8	Very high	93.9	Very high	121 Å²	121	40.6 Å²	40.6	63%	0.634	21%	0.207	S	C	*	.	H	α-helix	trans	-57.5	-36.7	177.4	-178.7	64.7	0	0	0	111.8	L334 H335	L334-L338 VanDerWaalsContact O-CB 3.28Å; L334-L338 WeakPolarHBondContact O-CB 3.29Å; L334-L338 PolarHBondContact O-N 3.45Å; H335-L338 PolarHBondContact O-N 3.48Å
339	H	95.8	Very high	93.1	Very high	51 Å²	51	42.5 Å²	42.5	24%	0.236	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	7.6	-179.7	-64.6	-67.7	0	0	0	114.2	K227 H335 A336 R337 L341	K227-H339 HydrophobicContact CD-CB 4.14Å; H335-H339 PolarHBondContact O-CD2 3.21Å; H335-H339 PolarHBondContact O-N 3.02Å; A336-H339 CarbonylContact O-C 3.47Å; A336-H339 PolarHBondContact O-N 3.39Å; R337-H339 PolarHBondContact O-N 2.92Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 HydrophobicContact CB-CD1 4.06Å; H339-L341 HydrophobicContact CB-CG 4.09Å; H339-L341 PolarHBondContact O-N 3.44Å
340	S	95.4	Very high	92.5	Very high	113 Å²	113	42.6 Å²	42.6	79%	0.79	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	46	-179.2	-54.4	0	0	0	0	113.3	A336 R337	A336-S340 PolarHBondContact O-N 3.49Å; R337-S340 PolarHBondContact O-N 3.27Å; R337-S340 VanDerWaalsContact O-N 3.12Å
341	L	94.9	Very high	92	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.052	20%	0.196	C	C	.	.			trans	-109.8	138.5	177.3	-57.6	174.4	0	0	0	110.1	P213 L215 K227 A336 H339	P213-L341 HydrophobicContact CB-CD2 3.75Å; P213-L341 HydrophobicContact CG-CD2 3.66Å; L215-L341 HydrophobicContact CB-CD1 3.98Å; L215-L341 HydrophobicContact CD1-CD1 4.11Å; K227-L341 HydrophobicContact CG-CD1 4.17Å; A336-L341 PolarHBondContact O-N 3.04Å; H339-L341 VanDerWaalsContact C-N 3.34Å; H339-L341 HydrophobicContact CB-CD1 4.06Å; H339-L341 HydrophobicContact CB-CG 4.09Å; H339-L341 PolarHBondContact O-N 3.44Å
342	D	92.4	Very high	90.9	Very high	92 Å²	92	39.7 Å²	39.7	49%	0.492	20%	0.198	S	C	.	.			trans	-102.1	-21.3	178.2	57.2	-2	0	0	0	112.7	V373 Q374	D342-V373 CarbonylContact O-C 3.54Å; D342-V373 WeakPolarHBondContact O-CA 3.43Å; D342-Q374 PolarHBondContact O-N 3.02Å
343	R	93.4	Very high	89.9	Confident	41 Å²	41	39.9 Å²	39.9	16%	0.155	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.3	-179.1	-67.2	176	-61.8	176.5	4.7	112	H210 I211 F212 P213 L215 Y345 L376	H210-R343 PolarHBondContact O-NH1 2.95Å; H210-R343 VanDerWaalsContact O-NH1 3.08Å; I211-R343 PolarHBondContact O-NH1 3.14Å; I211-R343 PolarHBondContact O-NH2 2.93Å; I211-R343 VanDerWaalsContact O-NH2 3.09Å; F212-R343 VanDerWaalsContact C-NH2 3.34Å; F212-R343 PolarHBondContact O-NH2 3.33Å; P213-R343 PolarHBondContact O-NH2 2.97Å; L215-R343 PolarHBondContact N-O 3.03Å; R343-Y345 HydrophobicContact CB-CE2 4.43Å; R343-L376 HydrophobicContact CB-CD1 4.13Å; R343-L376 HydrophobicContact CG-CD1 4.13Å
344	V	96.3	Very high	89.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.5	173.8	-174.8	0	0	0	0	109.6	L215 V217 A332 A336 F346 V373 Q374 L376	L215-V344 HydrophobicContact CB-CB 4.49Å; L215-V344 HydrophobicContact CB-CG1 4.33Å; L215-V344 HydrophobicContact CB-CG2 4.1Å; L215-V344 HydrophobicContact CD2-CG1 4.17Å; L215-V344 HydrophobicContact CD2-CG2 4.06Å; L215-V344 CarbonylContact O-C 3.59Å; L215-V344 WeakPolarHBondContact O-CA 3.38Å; V217-V344 HydrophobicContact CB-CG1 4.39Å; V217-V344 HydrophobicContact CG2-CG1 3.56Å; A332-V344 HydrophobicContact CB-CG1 4.32Å; A336-V344 HydrophobicContact CB-CG2 3.75Å; V344-F346 HydrophobicContact CB-CE2 4.03Å; V344-F346 HydrophobicContact CB-CZ 4.48Å; V344-F346 HydrophobicContact CG1-CD2 4.13Å; V344-F346 HydrophobicContact CG1-CE1 4.32Å; V344-F346 HydrophobicContact CG1-CE2 3.56Å; V344-F346 HydrophobicContact CG1-CZ 3.68Å; V344-V373 HydrophobicContact CB-CG1 4.46Å; V344-V373 HydrophobicContact CG2-CG1 3.47Å; V344-V373 VanDerWaalsContact CG2-CG1 3.47Å; V344-Q374 PolarHBondContact N-O 3.31Å; V344-L376 PolarHBondContact O-N 2.9Å
345	Y	95.9	Very high	88.5	Confident	13 Å²	13	36.6 Å²	36.6	5%	0.051	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	123.6	171.5	-64.1	-81.5	0	0	0	109.5	L184 A191 Y214 L215 L216 V217 R343 L376 L378	L184-Y345 HydrophobicContact CD1-CE1 4.23Å; L184-Y345 HydrophobicContact CD1-CE2 4.19Å; L184-Y345 HydrophobicContact CD2-CD1 4.36Å; L184-Y345 HydrophobicContact CD2-CE1 3.74Å; A191-Y345 HydrophobicContact CB-CD1 4.38Å; A191-Y345 HydrophobicContact CB-CE1 3.71Å; Y214-Y345 HydrophobicContact CD1-CE2 4.32Å; Y214-Y345 AromaticContact CD2-CD2 3.45Å; Y214-Y345 HydrophobicContact CD2-CD2 3.45Å; Y214-Y345 VanDerWaalsContact CD2-CD2 3.45Å; Y214-Y345 AromaticContact CD2-CE2 3.98Å; Y214-Y345 HydrophobicContact CD2-CE2 3.98Å; Y214-Y345 HydrophobicContact CD2-CG 4.49Å; Y214-Y345 HydrophobicContact CE2-CD2 4.1Å; Y214-Y345 AromaticContact CG-CD2 3.72Å; Y214-Y345 HydrophobicContact CG-CD2 3.72Å; Y214-Y345 AromaticContact CG-CE2 3.75Å; Y214-Y345 HydrophobicContact CG-CE2 3.75Å; L215-Y345 PolarHBondContact O-N 3.01Å; L216-Y345 WeakPolarHBondContact CA-O 3.26Å; V217-Y345 PolarHBondContact N-O 3.32Å; R343-Y345 HydrophobicContact CB-CE2 4.43Å; Y345-L376 CarbonylContact C-O 3.57Å; Y345-L376 WeakPolarHBondContact CA-O 3.44Å; Y345-L376 HydrophobicContact CD1-CB 3.59Å; Y345-L376 HydrophobicContact CD1-CD1 4.09Å; Y345-L376 HydrophobicContact CD1-CG 4.48Å; Y345-L376 HydrophobicContact CE1-CB 3.8Å; Y345-L376 HydrophobicContact CE1-CD1 3.54Å; Y345-L376 HydrophobicContact CE1-CG 4.25Å; Y345-L376 HydrophobicContact CE2-CD1 4.32Å; Y345-L376 HydrophobicContact CG-CB 4.33Å; Y345-L378 HydrophobicContact CD1-CD2 3.82Å; Y345-L378 HydrophobicContact CD1-CG 4.43Å; Y345-L378 HydrophobicContact CE1-CD2 4.34Å
346	F	94.9	Very high	87.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.2	171.8	-69	-86.7	0	0	0	108.5	V217 I219 I328 A332 V344 I351 I361 I365 A375 L376 F377	V217-F346 HydrophobicContact CB-CD1 3.74Å; V217-F346 HydrophobicContact CB-CE1 3.83Å; V217-F346 HydrophobicContact CG1-CD1 3.85Å; V217-F346 HydrophobicContact CG1-CE1 3.8Å; V217-F346 HydrophobicContact CG2-CD1 4.48Å; V217-F346 HydrophobicContact CG2-CE1 4.14Å; V217-F346 WeakPolarHBondContact O-CA 3.03Å; I219-F346 HydrophobicContact CD1-CD1 4.12Å; I328-F346 HydrophobicContact CG2-CE1 4.06Å; A332-F346 HydrophobicContact CB-CE1 3.97Å; A332-F346 HydrophobicContact CB-CZ 3.78Å; V344-F346 HydrophobicContact CB-CE2 4.03Å; V344-F346 HydrophobicContact CB-CZ 4.48Å; V344-F346 HydrophobicContact CG1-CD2 4.13Å; V344-F346 HydrophobicContact CG1-CE1 4.32Å; V344-F346 HydrophobicContact CG1-CE2 3.56Å; V344-F346 HydrophobicContact CG1-CZ 3.68Å; F346-I351 HydrophobicContact CB-CD1 3.63Å; F346-I361 HydrophobicContact CD1-CD1 4.41Å; F346-I361 HydrophobicContact CD1-CG2 3.86Å; F346-I361 HydrophobicContact CD2-CG2 3.9Å; F346-I361 HydrophobicContact CE1-CG2 3.56Å; F346-I361 HydrophobicContact CE2-CG2 3.61Å; F346-I361 HydrophobicContact CG-CG2 4.02Å; F346-I361 HydrophobicContact CZ-CG2 3.42Å; F346-I361 VanDerWaalsContact CZ-CG2 3.42Å; F346-I365 HydrophobicContact CE2-CD1 4.44Å; F346-I365 HydrophobicContact CE2-CG1 4.19Å; F346-I365 HydrophobicContact CZ-CD1 3.91Å; F346-I365 HydrophobicContact CZ-CG1 3.91Å; F346-A375 HydrophobicContact CD2-CB 4.13Å; F346-A375 HydrophobicContact CE2-CB 3.69Å; F346-L376 PolarHBondContact N-O 2.82Å; F346-F377 HydrophobicContact CB-CD1 3.9Å; F346-F377 HydrophobicContact CB-CE1 3.9Å; F346-F377 HydrophobicContact CD2-CE1 4.41Å; F346-F377 HydrophobicContact CG-CE1 4.3Å
347	G	88.4	Confident	87.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	179.9	174.9	0	0	0	0	0	111.3	V217 I219	V217-G347 PolarHBondContact O-N 3.29Å; I219-G347 PolarHBondContact N-O 2.81Å
348	G	82.8	Confident	87.2	Confident	6 Å²	6	30.7 Å²	30.7	6%	0.062	16%	0.163	C	C	.	.	S	Bend	trans	94.4	154.1	177.5	0	0	0	0	0	113.6	N218 I219 F350 I351	N218-G348 VanDerWaalsContact OD1-CA 3.25Å; N218-G348 WeakPolarHBondContact OD1-CA 3.22Å; N218-G348 PolarHBondContact OD1-N 2.84Å; I219-G348 CarbonylContact O-C 3.37Å; I219-G348 VanDerWaalsContact O-C 3.3Å; I219-G348 WeakPolarHBondContact O-CA 3.34Å; G348-F350 PolarHBondContact O-N 2.86Å; G348-I351 PolarHBondContact O-N 3.45Å
349	F	76.4	Confident	86.9	Confident	41 Å²	41	29.7 Å²	29.7	18%	0.18	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	6	-165.5	-165.2	-108	0	0	0	114.8	L70 K120 I219 I351 R352	L70-F349 HydrophobicContact CD1-CD1 3.66Å; L70-F349 HydrophobicContact CD1-CD2 3.68Å; L70-F349 HydrophobicContact CD1-CE1 3.23Å; L70-F349 HydrophobicContact CD1-CE2 3.27Å; L70-F349 HydrophobicContact CD1-CG 3.86Å; L70-F349 HydrophobicContact CD1-CZ 3.03Å; L70-F349 HydrophobicContact CD2-CE1 4.38Å; L70-F349 HydrophobicContact CD2-CZ 4.5Å; L70-F349 HydrophobicContact CG-CD1 4.13Å; L70-F349 HydrophobicContact CG-CE1 3.76Å; L70-F349 HydrophobicContact CG-CZ 4.02Å; K120-F349 HydrophobicContact CD-CD2 4.27Å; K120-F349 HydrophobicContact CD-CE2 3.8Å; I219-F349 PolarHBondContact O-N 3.39Å; F349-I351 VanDerWaalsContact C-N 3.31Å; F349-R352 HydrophobicContact CD1-CG 4.13Å; F349-R352 HydrophobicContact CD2-CG 3.53Å; F349-R352 HydrophobicContact CE1-CG 4.06Å; F349-R352 VanDerWaalsContact CE1-NH1 3.29Å; F349-R352 HydrophobicContact CE2-CG 3.42Å; F349-R352 VanDerWaalsContact CE2-CG 3.42Å; F349-R352 HydrophobicContact CG-CG 3.89Å; F349-R352 HydrophobicContact CZ-CG 3.69Å; F349-R352 VanDerWaalsContact O-CD 3.29Å; F349-R352 WeakPolarHBondContact O-CD 3.46Å; F349-R352 WeakPolarHBondContact O-CG 3.4Å
350	F	81.7	Confident	86.4	Confident	3 Å²	3	27.6 Å²	27.6	1%	0.013	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-29.3	169.3	178.7	-111.1	0	0	0	112.5	I219 F247 F260 L321 I324 G348 T357	I219-F350 HydrophobicContact CB-CB 3.85Å; I219-F350 HydrophobicContact CB-CD1 4.39Å; I219-F350 HydrophobicContact CB-CG 4.5Å; I219-F350 HydrophobicContact CD1-CD1 4.16Å; I219-F350 HydrophobicContact CG2-CB 3.37Å; I219-F350 HydrophobicContact CG2-CD1 3.62Å; I219-F350 HydrophobicContact CG2-CG 3.64Å; I219-F350 PolarHBondContact O-N 2.83Å; F247-F350 HydrophobicContact CB-CE2 3.74Å; F247-F350 HydrophobicContact CB-CZ 4.5Å; F247-F350 AromaticContact CD1-CE2 3.83Å; F247-F350 HydrophobicContact CD1-CE2 3.83Å; F247-F350 AromaticContact CG-CE2 3.78Å; F247-F350 HydrophobicContact CG-CE2 3.78Å; F247-F350 HydrophobicContact CG-CZ 4.48Å; F260-F350 HydrophobicContact CE2-CD2 4.22Å; F260-F350 AromaticContact CZ-CD2 3.81Å; F260-F350 HydrophobicContact CZ-CD2 3.81Å; F260-F350 HydrophobicContact CZ-CE2 4.36Å; L321-F350 HydrophobicContact CD1-CE1 4.32Å; L321-F350 HydrophobicContact CD1-CE2 4.3Å; L321-F350 HydrophobicContact CD1-CZ 3.59Å; I324-F350 HydrophobicContact CG2-CZ 4.22Å; G348-F350 PolarHBondContact O-N 2.86Å; F350-T357 HydrophobicContact CD1-CG2 3.66Å; F350-T357 HydrophobicContact CE1-CG2 3.44Å; F350-T357 VanDerWaalsContact CE1-CG2 3.44Å; F350-T357 HydrophobicContact CZ-CG2 4.28Å
351	I	81.3	Confident	86.3	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-56	-171.6	-57.8	162.9	0	0	0	110.3	I219 F346 G348 F349 G353 H354 T357 M358 I361 F377 E381	I219-I351 HydrophobicContact CD1-CD1 4.15Å; I219-I351 HydrophobicContact CD1-CG1 4.14Å; F346-I351 HydrophobicContact CB-CD1 3.63Å; G348-I351 PolarHBondContact O-N 3.45Å; F349-I351 VanDerWaalsContact C-N 3.31Å; I351-G353 PolarHBondContact O-N 2.96Å; I351-G353 VanDerWaalsContact O-N 3.1Å; I351-H354 WeakPolarHBondContact O-CB 3.32Å; I351-H354 PolarHBondContact O-CD2 3.08Å; I351-H354 PolarHBondContact O-N 3.43Å; I351-T357 HydrophobicContact CG1-CG2 4.47Å; I351-M358 HydrophobicContact CG2-CG 3.51Å; I351-M358 HydrophobicContact CG2-SD 4.11Å; I351-I361 HydrophobicContact CG1-CD1 4.48Å; I351-F377 HydrophobicContact CD1-CD1 4.1Å; I351-F377 HydrophobicContact CD1-CE1 4.32Å; I351-F377 HydrophobicContact CG2-CD1 3.9Å; I351-F377 HydrophobicContact CG2-CE1 4.22Å; I351-E381 WeakPolarHBondContact CB-OE1 3.26Å; I351-E381 WeakPolarHBondContact CB-OE2 3.33Å
352	R	72.7	Confident	86	Confident	68 Å²	68	22.1 Å²	22.1	26%	0.257	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	32.8	173.7	-69.7	174.5	76.5	169.8	-3.6	114.6	D261 F349 H354 E381	D261-R352 IonicContact OD1-CZ 3.18Å; D261-R352 IonicContact OD1-NE 3.98Å; D261-R352 IonicContact OD1-NH1 2.65Å; D261-R352 PolarHBondContact OD1-NH1 3.44Å; D261-R352 IonicContact OD1-NH2 3.54Å; D261-R352 PolarHBondContact OD1-NH2 3.17Å; D261-R352 IonicContact OD2-CZ 3.21Å; D261-R352 IonicContact OD2-NH1 2.73Å; D261-R352 PolarHBondContact OD2-NH1 3.35Å; D261-R352 IonicContact OD2-NH2 3.31Å; D261-R352 PolarHBondContact OD2-NH2 3.2Å; F349-R352 HydrophobicContact CD1-CG 4.13Å; F349-R352 HydrophobicContact CD2-CG 3.53Å; F349-R352 HydrophobicContact CE1-CG 4.06Å; F349-R352 VanDerWaalsContact CE1-NH1 3.29Å; F349-R352 HydrophobicContact CE2-CG 3.42Å; F349-R352 VanDerWaalsContact CE2-CG 3.42Å; F349-R352 HydrophobicContact CG-CG 3.89Å; F349-R352 HydrophobicContact CZ-CG 3.69Å; F349-R352 VanDerWaalsContact O-CD 3.29Å; F349-R352 WeakPolarHBondContact O-CD 3.46Å; F349-R352 WeakPolarHBondContact O-CG 3.4Å; R352-H354 PolarHBondContact O-N 3.41Å; R352-E381 WeakPolarHBondContact CA-OE1 3.45Å; R352-E381 PolarHBondContact N-OE1 3.36Å
353	G	72.6	Confident	85.8	Confident	4 Å²	4	23.7 Å²	23.7	4%	0.041	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	17.3	-174.3	0	0	0	0	0	113.9	I351 P355 M358	I351-G353 PolarHBondContact O-N 2.96Å; I351-G353 VanDerWaalsContact O-N 3.1Å; G353-P355 WeakPolarHBondContact O-CD 3.49Å; G353-M358 WeakPolarHBondContact O-CE 3.49Å
354	H	79.5	Confident	85.5	Confident	23 Å²	23	21.8 Å²	21.8	11%	0.106	10%	0.097	C	C	.	.			trans	-73	116	177	-75	-69.3	0	0	0	110.3	L264 I351 R352 V356 T357 M358 T417	L264-H354 WeakPolarHBondContact CD1-CD2 3.19Å; L264-H354 WeakPolarHBondContact CD1-NE2 3.43Å; I351-H354 WeakPolarHBondContact O-CB 3.32Å; I351-H354 PolarHBondContact O-CD2 3.08Å; I351-H354 PolarHBondContact O-N 3.43Å; R352-H354 PolarHBondContact O-N 3.41Å; H354-V356 PolarHBondContact O-N 3.25Å; H354-V356 VanDerWaalsContact O-N 3.13Å; H354-T357 PolarHBondContact O-N 3.24Å; H354-T357 VanDerWaalsContact O-N 3.12Å; H354-M358 PolarHBondContact O-N 3.3Å; H354-T417 PolarHBondContact CE1-OG1 3.19Å; H354-T417 PolarHBondContact ND1-OG1 3.11Å
355	P	82.3	Confident	85.2	Confident	24 Å²	24	21.8 Å²	21.8	16%	0.156	10%	0.097	C	C	.	.	H	α-helix	trans	-57.4	-34.9	-175.3	-29.1	38.1	0	0	0	113.5	Y194 G353 R359	Y194-P355 HydrophobicContact CE1-CB 4.36Å; Y194-P355 WeakPolarHBondContact CE1-O 3.23Å; Y194-P355 HydrophobicContact CE2-CB 4.16Å; Y194-P355 WeakPolarHBondContact OH-CB 3.24Å; G353-P355 WeakPolarHBondContact O-CD 3.49Å; P355-R359 WeakPolarHBondContact O-CB 3.37Å; P355-R359 PolarHBondContact O-N 3.34Å
356	V	81.5	Confident	84.8	Confident	34 Å²	34	24.3 Å²	24.3	21%	0.206	11%	0.111	C	C	.	.	H	α-helix	trans	-66	-42.3	-179.1	-175.4	0	0	0	0	111.8	L321 H354 T360	L321-V356 HydrophobicContact CD2-CB 4.16Å; L321-V356 HydrophobicContact CD2-CG1 3.47Å; L321-V356 VanDerWaalsContact CD2-CG1 3.47Å; H354-V356 PolarHBondContact O-N 3.25Å; H354-V356 VanDerWaalsContact O-N 3.13Å; V356-T360 PolarHBondContact O-N 3.11Å; V356-T360 PolarHBondContact O-OG1 3.18Å
357	T	86.8	Confident	84.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-52	178.5	-56.1	0	0	0	0	110.1	F350 I351 H354 R359 T360 I361	F350-T357 HydrophobicContact CD1-CG2 3.66Å; F350-T357 HydrophobicContact CE1-CG2 3.44Å; F350-T357 VanDerWaalsContact CE1-CG2 3.44Å; F350-T357 HydrophobicContact CZ-CG2 4.28Å; I351-T357 HydrophobicContact CG1-CG2 4.47Å; H354-T357 PolarHBondContact O-N 3.24Å; H354-T357 VanDerWaalsContact O-N 3.12Å; T357-R359 PolarHBondContact O-N 2.96Å; T357-T360 PolarHBondContact O-N 3.24Å; T357-T360 VanDerWaalsContact O-N 3.12Å; T357-I361 HydrophobicContact CG2-CD1 3.99Å; T357-I361 WeakPolarHBondContact O-CG1 3.27Å; T357-I361 PolarHBondContact O-N 3.39Å
358	M	90.5	Very high	84.2	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.4	-46.1	179.6	-66.2	-174.2	-67.5	0	0	111.6	F192 Y194 F202 I351 G353 H354 T360 I361 T362 F377	F192-M358 HydrophobicContact CE2-SD 3.7Å; F192-M358 HydrophobicContact CZ-SD 3.88Å; Y194-M358 HydrophobicContact CD1-CB 3.69Å; Y194-M358 HydrophobicContact CD2-CE 3.93Å; Y194-M358 HydrophobicContact CE2-CE 4.42Å; Y194-M358 HydrophobicContact CG-CB 3.78Å; Y194-M358 HydrophobicContact CG-CE 4.13Å; Y194-M358 HydrophobicContact CG-SD 4.46Å; F202-M358 HydrophobicContact CE1-CE 3.85Å; F202-M358 HydrophobicContact CZ-CE 4.17Å; I351-M358 HydrophobicContact CG2-CG 3.51Å; I351-M358 HydrophobicContact CG2-SD 4.11Å; G353-M358 WeakPolarHBondContact O-CE 3.49Å; H354-M358 PolarHBondContact O-N 3.3Å; M358-T360 VanDerWaalsContact C-N 3.3Å; M358-T360 PolarHBondContact O-N 3.42Å; M358-I361 PolarHBondContact O-N 2.76Å; M358-T362 WeakPolarHBondContact O-CB 3.35Å; M358-T362 PolarHBondContact O-N 2.97Å; M358-T362 PolarHBondContact O-OG1 3.32Å; M358-F377 HydrophobicContact CB-CD1 4.5Å; M358-F377 HydrophobicContact CB-CD2 4.34Å; M358-F377 HydrophobicContact CB-CE1 4.01Å; M358-F377 HydrophobicContact CB-CE2 3.83Å; M358-F377 HydrophobicContact CB-CZ 3.65Å; M358-F377 HydrophobicContact CG-CD1 3.8Å; M358-F377 HydrophobicContact CG-CD2 4.22Å; M358-F377 HydrophobicContact CG-CE1 3.69Å; M358-F377 HydrophobicContact CG-CE2 4.12Å; M358-F377 HydrophobicContact CG-CG 4.07Å; M358-F377 HydrophobicContact CG-CZ 3.86Å; M358-F377 HydrophobicContact SD-CB 4.35Å; M358-F377 HydrophobicContact SD-CD1 4.2Å; M358-F377 HydrophobicContact SD-CD2 4.16Å; M358-F377 HydrophobicContact SD-CG 3.95Å
359	R	88.5	Confident	84.5	Confident	100 Å²	100	30.9 Å²	30.9	38%	0.377	14%	0.139	S	C	.	.	H	α-helix	trans	-52.6	-49.1	174.9	-173.6	-160.2	-169.6	178.4	0.7	112	Y194 K196 D197 P355 T357 T362 Y363	Y194-R359 HydrophobicContact CD1-CB 4.27Å; Y194-R359 HydrophobicContact CE1-CB 3.85Å; K196-R359 HydrophobicContact CB-CB 4.49Å; K196-R359 HydrophobicContact CB-CG 3.82Å; K196-R359 HydrophobicContact CD-CG 4.22Å; K196-R359 VanDerWaalsContact NZ-NH1 3.16Å; D197-R359 IonicContact OD2-NH2 3.85Å; P355-R359 WeakPolarHBondContact O-CB 3.37Å; P355-R359 PolarHBondContact O-N 3.34Å; T357-R359 PolarHBondContact O-N 2.96Å; R359-T362 PolarHBondContact O-N 3.17Å; R359-Y363 VanDerWaalsContact O-CB 3.27Å; R359-Y363 WeakPolarHBondContact O-CB 3.2Å; R359-Y363 PolarHBondContact O-N 3.28Å
360	T	86.9	Confident	84.9	Confident	7 Å²	7	38 Å²	38	4%	0.043	17%	0.17	C	C	.	.	H	α-helix	trans	-69.5	-41.1	-171.1	-51.7	0	0	0	0	110.5	S325 V356 T357 M358 Y363 S364	S325-T360 VanDerWaalsContact CB-CG2 3.49Å; V356-T360 PolarHBondContact O-N 3.11Å; V356-T360 PolarHBondContact O-OG1 3.18Å; T357-T360 PolarHBondContact O-N 3.24Å; T357-T360 VanDerWaalsContact O-N 3.12Å; M358-T360 VanDerWaalsContact C-N 3.3Å; M358-T360 PolarHBondContact O-N 3.42Å; T360-Y363 PolarHBondContact O-N 2.9Å; T360-S364 WeakPolarHBondContact O-CB 3.03Å; T360-S364 PolarHBondContact O-N 3.3Å
361	I	91.7	Very high	85.1	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62	-51.3	173.4	-66.6	172.7	0	0	0	110.5	I219 F346 I351 T357 M358 Y363 S364 I365 F377	I219-I361 HydrophobicContact CD1-CD1 3.76Å; F346-I361 HydrophobicContact CD1-CD1 4.41Å; F346-I361 HydrophobicContact CD1-CG2 3.86Å; F346-I361 HydrophobicContact CD2-CG2 3.9Å; F346-I361 HydrophobicContact CE1-CG2 3.56Å; F346-I361 HydrophobicContact CE2-CG2 3.61Å; F346-I361 HydrophobicContact CG-CG2 4.02Å; F346-I361 HydrophobicContact CZ-CG2 3.42Å; F346-I361 VanDerWaalsContact CZ-CG2 3.42Å; I351-I361 HydrophobicContact CG1-CD1 4.48Å; T357-I361 HydrophobicContact CG2-CD1 3.99Å; T357-I361 WeakPolarHBondContact O-CG1 3.27Å; T357-I361 PolarHBondContact O-N 3.39Å; M358-I361 PolarHBondContact O-N 2.76Å; I361-Y363 VanDerWaalsContact C-N 3.32Å; I361-Y363 PolarHBondContact O-N 3.18Å; I361-S364 PolarHBondContact O-N 2.59Å; I361-I365 HydrophobicContact CG2-CG1 4.43Å; I361-I365 WeakPolarHBondContact O-CG1 3.34Å; I361-I365 PolarHBondContact O-N 2.89Å; I361-F377 HydrophobicContact CB-CZ 4.25Å; I361-F377 HydrophobicContact CD1-CE1 4.42Å; I361-F377 HydrophobicContact CG2-CE1 4.43Å; I361-F377 HydrophobicContact CG2-CZ 4.21Å
362	T	90.6	Very high	85.5	Confident	9 Å²	9	45.9 Å²	45.9	6%	0.055	22%	0.221	C	C	.	.	H	α-helix	trans	-56.7	-45.9	178.2	-59.8	0	0	0	0	111.5	Y194 M358 R359 I365 N366 F377	Y194-T362 WeakPolarHBondContact O-CG2 3.13Å; Y194-T362 PolarHBondContact O-OG1 2.95Å; M358-T362 WeakPolarHBondContact O-CB 3.35Å; M358-T362 PolarHBondContact O-N 2.97Å; M358-T362 PolarHBondContact O-OG1 3.32Å; R359-T362 PolarHBondContact O-N 3.17Å; T362-I365 PolarHBondContact O-N 2.93Å; T362-N366 WeakPolarHBondContact O-CB 3.44Å; T362-N366 PolarHBondContact O-N 2.96Å; T362-N366 PolarHBondContact O-ND2 3.45Å; T362-F377 WeakPolarHBondContact OG1-CE2 3.33Å
363	Y	86.4	Confident	86.5	Confident	125 Å²	125	42.9 Å²	42.9	49%	0.49	21%	0.21	S	C	.	.	H	α-helix	trans	-61.3	-47.1	178.7	176.3	-95.7	0	0	0	111.7	R359 T360 I361 N366 F367	R359-Y363 VanDerWaalsContact O-CB 3.27Å; R359-Y363 WeakPolarHBondContact O-CB 3.2Å; R359-Y363 PolarHBondContact O-N 3.28Å; T360-Y363 PolarHBondContact O-N 2.9Å; I361-Y363 VanDerWaalsContact C-N 3.32Å; I361-Y363 PolarHBondContact O-N 3.18Å; Y363-N366 PolarHBondContact O-N 3.25Å; Y363-F367 VanDerWaalsContact O-CB 3.26Å; Y363-F367 WeakPolarHBondContact O-CB 3.24Å; Y363-F367 PolarHBondContact O-N 3.23Å
364	S	88	Confident	87.5	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-59.2	-50.7	178.3	-175.3	0	0	0	0	110.9	N326 T360 I361 N366 F367 F368	N326-S364 PolarHBondContact O-OG 3.18Å; T360-S364 WeakPolarHBondContact O-CB 3.03Å; T360-S364 PolarHBondContact O-N 3.3Å; I361-S364 PolarHBondContact O-N 2.59Å; S364-N366 PolarHBondContact O-N 3.38Å; S364-F367 PolarHBondContact O-N 3.39Å; S364-F368 WeakPolarHBondContact O-CD2 3.42Å; S364-F368 PolarHBondContact O-N 2.96Å
365	I	90.3	Very high	88.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-50	178.9	-68.8	-74.5	0	0	0	111.4	G329 A332 C333 F346 I361 T362 F367 F368 S369 V373 A375	G329-I365 WeakPolarHBondContact O-CD1 3.35Å; A332-I365 HydrophobicContact CB-CD1 3.82Å; C333-I365 HydrophobicContact CB-CD1 4.05Å; F346-I365 HydrophobicContact CE2-CD1 4.44Å; F346-I365 HydrophobicContact CE2-CG1 4.19Å; F346-I365 HydrophobicContact CZ-CD1 3.91Å; F346-I365 HydrophobicContact CZ-CG1 3.91Å; I361-I365 HydrophobicContact CG2-CG1 4.43Å; I361-I365 WeakPolarHBondContact O-CG1 3.34Å; I361-I365 PolarHBondContact O-N 2.89Å; T362-I365 PolarHBondContact O-N 2.93Å; I365-F367 VanDerWaalsContact C-N 3.3Å; I365-F367 PolarHBondContact O-N 2.86Å; I365-F368 PolarHBondContact O-N 2.7Å; I365-S369 VanDerWaalsContact O-CB 3.22Å; I365-S369 WeakPolarHBondContact O-CB 3.33Å; I365-S369 PolarHBondContact O-N 3.47Å; I365-S369 PolarHBondContact O-OG 3.42Å; I365-V373 HydrophobicContact CG2-CB 4.09Å; I365-V373 HydrophobicContact CG2-CG1 3.97Å; I365-V373 VanDerWaalsContact CG2-O 3.3Å; I365-V373 WeakPolarHBondContact CG2-O 3.46Å; I365-A375 HydrophobicContact CB-CB 4.26Å; I365-A375 HydrophobicContact CG1-CB 4.23Å; I365-A375 HydrophobicContact CG2-CB 4.26Å
366	N	87.4	Confident	88.8	Confident	65 Å²	65	44.2 Å²	44.2	35%	0.348	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-38.7	179.7	-74.8	-17.8	0	0	0	112.1	T362 Y363 S364 K370 G371	T362-N366 WeakPolarHBondContact O-CB 3.44Å; T362-N366 PolarHBondContact O-N 2.96Å; T362-N366 PolarHBondContact O-ND2 3.45Å; Y363-N366 PolarHBondContact O-N 3.25Å; S364-N366 PolarHBondContact O-N 3.38Å; N366-K370 VanDerWaalsContact O-CA 3.29Å; N366-K370 WeakPolarHBondContact O-CA 3.43Å; N366-K370 PolarHBondContact O-N 3.01Å; N366-G371 PolarHBondContact O-N 3.34Å
367	F	85.2	Confident	89.4	Confident	70 Å²	70	42.6 Å²	42.6	31%	0.307	20%	0.204	S	C	.	.	H	α-helix	trans	-63.1	-49	178.2	179.2	-95	0	0	0	111.9	L296 Y363 S364 I365	L296-F367 HydrophobicContact CD1-CE1 4.04Å; L296-F367 HydrophobicContact CD1-CE2 4.3Å; L296-F367 HydrophobicContact CD1-CZ 3.81Å; L296-F367 HydrophobicContact CD2-CE1 4.43Å; L296-F367 HydrophobicContact CD2-CZ 3.96Å; Y363-F367 VanDerWaalsContact O-CB 3.26Å; Y363-F367 WeakPolarHBondContact O-CB 3.24Å; Y363-F367 PolarHBondContact O-N 3.23Å; S364-F367 PolarHBondContact O-N 3.39Å; I365-F367 VanDerWaalsContact C-N 3.3Å; I365-F367 PolarHBondContact O-N 2.86Å
368	F	85.6	Confident	89.7	Confident	74 Å²	74	42.7 Å²	42.7	33%	0.325	20%	0.204	S	C	.	.	H	α-helix	trans	-79.7	-28.9	-176.5	-70	-70.6	0	0	0	113.9	Q330 C333 S364 I365	Q330-F368 HydrophobicContact CB-CE2 4.44Å; Q330-F368 VanDerWaalsContact CD-CZ 3.41Å; Q330-F368 HydrophobicContact CG-CD1 4.36Å; Q330-F368 HydrophobicContact CG-CD2 3.45Å; Q330-F368 VanDerWaalsContact CG-CD2 3.45Å; Q330-F368 HydrophobicContact CG-CE1 4Å; Q330-F368 HydrophobicContact CG-CE2 3.07Å; Q330-F368 HydrophobicContact CG-CG 4.13Å; Q330-F368 HydrophobicContact CG-CZ 3.37Å; C333-F368 HydrophobicContact CB-CB 4.09Å; S364-F368 WeakPolarHBondContact O-CD2 3.42Å; S364-F368 PolarHBondContact O-N 2.96Å; I365-F368 PolarHBondContact O-N 2.7Å
369	S	87.8	Confident	89.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-90.1	-12.2	178.5	68.1	0	0	0	0	113.7	I365 G371 E372 V373	I365-S369 VanDerWaalsContact O-CB 3.22Å; I365-S369 WeakPolarHBondContact O-CB 3.33Å; I365-S369 PolarHBondContact O-N 3.47Å; I365-S369 PolarHBondContact O-OG 3.42Å; S369-G371 PolarHBondContact O-N 3.32Å; S369-G371 PolarHBondContact OG-N 3.46Å; S369-E372 VanDerWaalsContact O-CB 3.31Å; S369-E372 WeakPolarHBondContact O-CB 3.41Å; S369-E372 WeakPolarHBondContact O-CG 3.39Å; S369-E372 PolarHBondContact O-N 3.06Å; S369-E372 VanDerWaalsContact O-N 3.11Å; S369-V373 PolarHBondContact OG-N 3.4Å
370	K	86.6	Confident	89.9	Confident	189 Å²	189	39 Å²	39	82%	0.822	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	30.5	-168.2	-55.2	-179.3	180	179.3	0	113.1	N366	N366-K370 VanDerWaalsContact O-CA 3.29Å; N366-K370 WeakPolarHBondContact O-CA 3.43Å; N366-K370 PolarHBondContact O-N 3.01Å
371	G	86.1	Confident	89.9	Confident	54 Å²	54	39.6 Å²	39.6	56%	0.557	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	2.8	-179	0	0	0	0	0	115	N366 S369 V373	N366-G371 PolarHBondContact O-N 3.34Å; S369-G371 PolarHBondContact O-N 3.32Å; S369-G371 PolarHBondContact OG-N 3.46Å; G371-V373 PolarHBondContact O-N 2.8Å
372	E	89.5	Confident	89.5	Confident	116 Å²	116	40 Å²	40	54%	0.542	20%	0.197	S	C	.	.	S	Bend	trans	-69.2	-21.3	174.7	-67.4	173.6	-175.2	0	0	112.8	R337 S369	R337-E372 IonicContact CZ-OE2 3.99Å; R337-E372 IonicContact NE-OE2 3.15Å; R337-E372 PolarHBondContact NE-OE2 3.44Å; R337-E372 IonicContact NH2-OE1 3.5Å; R337-E372 IonicContact NH2-OE2 2.65Å; R337-E372 PolarHBondContact NH2-OE2 3.16Å; S369-E372 VanDerWaalsContact O-CB 3.31Å; S369-E372 WeakPolarHBondContact O-CB 3.41Å; S369-E372 WeakPolarHBondContact O-CG 3.39Å; S369-E372 PolarHBondContact O-N 3.06Å; S369-E372 VanDerWaalsContact O-N 3.11Å
373	V	93.2	Very high	89.4	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.024	20%	0.197	C	C	.	.	S	Bend	trans	-121.7	130.4	-177.7	-179.4	0	0	0	0	109.5	A336 R337 D342 V344 I365 S369 G371	A336-V373 HydrophobicContact CB-CG1 3.94Å; A336-V373 HydrophobicContact CB-CG2 4.05Å; R337-V373 HydrophobicContact CG-CG2 4.36Å; D342-V373 CarbonylContact O-C 3.54Å; D342-V373 WeakPolarHBondContact O-CA 3.43Å; V344-V373 HydrophobicContact CB-CG1 4.46Å; V344-V373 HydrophobicContact CG2-CG1 3.47Å; V344-V373 VanDerWaalsContact CG2-CG1 3.47Å; I365-V373 HydrophobicContact CG2-CB 4.09Å; I365-V373 HydrophobicContact CG2-CG1 3.97Å; I365-V373 VanDerWaalsContact CG2-O 3.3Å; I365-V373 WeakPolarHBondContact CG2-O 3.46Å; S369-V373 PolarHBondContact OG-N 3.4Å; G371-V373 PolarHBondContact O-N 2.8Å
374	Q	92.6	Very high	89.7	Confident	76 Å²	76	34.3 Å²	34.3	36%	0.355	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.4	178.9	-166.6	177.4	51.6	0	0	111.1	V193 D342 V344 L376	V193-Q374 HydrophobicContact CG2-CG 3.92Å; D342-Q374 PolarHBondContact O-N 3.02Å; V344-Q374 PolarHBondContact N-O 3.31Å; Q374-L376 HydrophobicContact CG-CD2 4.24Å; Q374-L376 HydrophobicContact CG-CG 4.24Å
375	A	94.6	Very high	89.9	Confident	2 Å²	2	34.5 Å²	34.5	2%	0.017	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	118.2	169.4	0	0	0	0	0	110.2	F346 I365	F346-A375 HydrophobicContact CD2-CB 4.13Å; F346-A375 HydrophobicContact CE2-CB 3.69Å; I365-A375 HydrophobicContact CB-CB 4.26Å; I365-A375 HydrophobicContact CG1-CB 4.23Å; I365-A375 HydrophobicContact CG2-CB 4.26Å
376	L	94.9	Very high	90	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.9	179.6	-66.5	164.6	0	0	0	109.6	F192 V193 Q205 R343 V344 Y345 F346 Q374	F192-L376 WeakPolarHBondContact O-CA 3.45Å; V193-L376 HydrophobicContact CG2-CD2 3.79Å; Q205-L376 HydrophobicContact CG-CD2 3.87Å; R343-L376 HydrophobicContact CB-CD1 4.13Å; R343-L376 HydrophobicContact CG-CD1 4.13Å; V344-L376 PolarHBondContact O-N 2.9Å; Y345-L376 CarbonylContact C-O 3.57Å; Y345-L376 WeakPolarHBondContact CA-O 3.44Å; Y345-L376 HydrophobicContact CD1-CB 3.59Å; Y345-L376 HydrophobicContact CD1-CD1 4.09Å; Y345-L376 HydrophobicContact CD1-CG 4.48Å; Y345-L376 HydrophobicContact CE1-CB 3.8Å; Y345-L376 HydrophobicContact CE1-CD1 3.54Å; Y345-L376 HydrophobicContact CE1-CG 4.25Å; Y345-L376 HydrophobicContact CE2-CD1 4.32Å; Y345-L376 HydrophobicContact CG-CB 4.33Å; F346-L376 PolarHBondContact N-O 2.82Å; Q374-L376 HydrophobicContact CG-CD2 4.24Å; Q374-L376 HydrophobicContact CG-CG 4.24Å
377	F	94.9	Very high	90.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	160.4	174.5	-58.3	-79.6	0	0	0	109.8	A191 F192 F346 I351 M358 I361 T362	A191-F377 CarbonylContact C-O 3.41Å; A191-F377 VanDerWaalsContact CA-O 3.25Å; A191-F377 WeakPolarHBondContact CA-O 3.43Å; F192-F377 HydrophobicContact CD1-CB 4.29Å; F192-F377 HydrophobicContact CD2-CB 4.2Å; F192-F377 HydrophobicContact CE1-CB 3.81Å; F192-F377 HydrophobicContact CE2-CB 3.71Å; F192-F377 HydrophobicContact CE2-CD2 4.24Å; F192-F377 HydrophobicContact CE2-CG 4.29Å; F192-F377 HydrophobicContact CG-CB 4.47Å; F192-F377 HydrophobicContact CZ-CB 3.49Å; F192-F377 VanDerWaalsContact CZ-CB 3.49Å; F192-F377 HydrophobicContact CZ-CG 4.41Å; F192-F377 PolarHBondContact N-O 2.9Å; F192-F377 PolarHBondContact O-N 3.16Å; F346-F377 HydrophobicContact CB-CD1 3.9Å; F346-F377 HydrophobicContact CB-CE1 3.9Å; F346-F377 HydrophobicContact CD2-CE1 4.41Å; F346-F377 HydrophobicContact CG-CE1 4.3Å; I351-F377 HydrophobicContact CD1-CD1 4.1Å; I351-F377 HydrophobicContact CD1-CE1 4.32Å; I351-F377 HydrophobicContact CG2-CD1 3.9Å; I351-F377 HydrophobicContact CG2-CE1 4.22Å; M358-F377 HydrophobicContact CB-CD1 4.5Å; M358-F377 HydrophobicContact CB-CD2 4.34Å; M358-F377 HydrophobicContact CB-CE1 4.01Å; M358-F377 HydrophobicContact CB-CE2 3.83Å; M358-F377 HydrophobicContact CB-CZ 3.65Å; M358-F377 HydrophobicContact CG-CD1 3.8Å; M358-F377 HydrophobicContact CG-CD2 4.22Å; M358-F377 HydrophobicContact CG-CE1 3.69Å; M358-F377 HydrophobicContact CG-CE2 4.12Å; M358-F377 HydrophobicContact CG-CG 4.07Å; M358-F377 HydrophobicContact CG-CZ 3.86Å; M358-F377 HydrophobicContact SD-CB 4.35Å; M358-F377 HydrophobicContact SD-CD1 4.2Å; M358-F377 HydrophobicContact SD-CD2 4.16Å; M358-F377 HydrophobicContact SD-CG 3.95Å; I361-F377 HydrophobicContact CB-CZ 4.25Å; I361-F377 HydrophobicContact CD1-CE1 4.42Å; I361-F377 HydrophobicContact CG2-CE1 4.43Å; I361-F377 HydrophobicContact CG2-CZ 4.21Å; T362-F377 WeakPolarHBondContact OG1-CE2 3.33Å
378	L	92.8	Very high	90.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.5	-176.9	-61.2	171.5	0	0	0	110.2	L184 E190 A191 Y345 H380 E381 L384	L184-L378 HydrophobicContact CD2-CD2 3.69Å; L184-L378 HydrophobicContact CG-CD2 4.27Å; E190-L378 HydrophobicContact CG-CD2 3.97Å; E190-L378 WeakPolarHBondContact O-CA 3.21Å; E190-L378 WeakPolarHBondContact OE1-CB 3.27Å; A191-L378 HydrophobicContact CB-CD2 4.27Å; Y345-L378 HydrophobicContact CD1-CD2 3.82Å; Y345-L378 HydrophobicContact CD1-CG 4.43Å; Y345-L378 HydrophobicContact CE1-CD2 4.34Å; L378-H380 PolarHBondContact O-N 2.73Å; L378-E381 HydrophobicContact CB-CB 4.07Å; L378-E381 PolarHBondContact O-N 3.18Å; L378-L384 HydrophobicContact CD1-CD1 3.81Å; L378-L384 HydrophobicContact CD1-CD2 4.46Å
379	R	91.9	Very high	90.9	Very high	15 Å²	15	24.6 Å²	24.6	6%	0.057	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-36.4	175.6	-71.6	178.2	58.5	-145.1	-18.7	111.5	H189 E190 F192 F204 E406 L414 A522 Y523	H189-R379 WeakPolarHBondContact O-CD 3.49Å; E190-R379 PolarHBondContact O-N 3.04Å; E190-R379 PolarHBondContact OE1-N 3.24Å; F192-R379 HydrophobicContact CD1-CG 4.24Å; F192-R379 HydrophobicContact CE1-CG 4.22Å; F204-R379 HydrophobicContact CE1-CG 3.88Å; R379-E406 IonicContact CZ-OE1 3.6Å; R379-E406 IonicContact CZ-OE2 3.78Å; R379-E406 VanDerWaalsContact CZ-OE2 3.26Å; R379-E406 IonicContact NH1-OE2 3.76Å; R379-E406 PolarHBondContact NH1-OE2 3.17Å; R379-E406 IonicContact NH2-OE1 3.13Å; R379-E406 PolarHBondContact NH2-OE1 3.47Å; R379-E406 IonicContact NH2-OE2 3.84Å; R379-E406 PolarHBondContact NH2-OE2 3.05Å; R379-L414 HydrophobicContact CG-CB 4.45Å; R379-L414 HydrophobicContact CG-CD2 4.29Å; R379-A522 PolarHBondContact NH2-O 3.31Å; R379-Y523 PolarHBondContact NH1-O 3.21Å; R379-Y523 VanDerWaalsContact NH1-O 3.1Å
380	H	90.4	Very high	91	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.042	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	27.4	-174.4	-57.8	103.2	0	0	0	113.3	V183 I187 E190 L378 G382 Y383 E406 L435	V183-H380 HydrophobicContact CG1-CB 4.4Å; I187-H380 WeakPolarHBondContact CD1-ND1 3.13Å; E190-H380 PolarHBondContact OE1-N 3.36Å; E190-H380 IonicContact OE1-ND1 2.62Å; E190-H380 IonicContact OE2-CE1 3.95Å; E190-H380 IonicContact OE2-CG 2.63Å; E190-H380 IonicContact OE2-ND1 3.5Å; E190-H380 PolarHBondContact OE2-ND1 3.41Å; L378-H380 PolarHBondContact O-N 2.73Å; H380-G382 PolarHBondContact O-N 3.35Å; H380-Y383 HydrophobicContact CB-CD2 4.21Å; H380-Y383 PolarHBondContact O-N 3.01Å; H380-E406 IonicContact NE2-OE1 2.86Å; H380-L435 HydrophobicContact CB-CD2 4.33Å
381	E	87.1	Confident	91.1	Very high	18 Å²	18	16.2 Å²	16.2	8%	0.084	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-29.6	178.3	65.2	-176.9	-159.1	0	0	114.4	I351 R352 L378 Y383	I351-E381 WeakPolarHBondContact CB-OE1 3.26Å; I351-E381 WeakPolarHBondContact CB-OE2 3.33Å; R352-E381 WeakPolarHBondContact CA-OE1 3.45Å; R352-E381 PolarHBondContact N-OE1 3.36Å; L378-E381 HydrophobicContact CB-CB 4.07Å; L378-E381 PolarHBondContact O-N 3.18Å; E381-Y383 VanDerWaalsContact C-N 3.3Å; E381-Y383 PolarHBondContact O-N 2.77Å
382	G	83.1	Confident	91.1	Very high	9 Å²	9	16 Å²	16	9%	0.093	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.3	-177.2	0	0	0	0	0	114.7	K72 H380	K72-G382 VanDerWaalsContact CD-O 3.32Å; K72-G382 WeakPolarHBondContact CD-O 3.49Å; K72-G382 WeakPolarHBondContact CE-O 3.26Å; K72-G382 WeakPolarHBondContact CG-O 3.3Å; H380-G382 PolarHBondContact O-N 3.35Å
383	Y	89.3	Confident	90.6	Very high	12 Å²	12	11.1 Å²	11.1	5%	0.047	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	-6.6	-172	-60.5	-74.4	0	0	0	114.2	K72 F118 K120 H380 E381 G385 A386 I387 D433 L435	K72-Y383 HydrophobicContact CB-CD1 4.5Å; K72-Y383 HydrophobicContact CG-CD1 4.32Å; F118-Y383 HydrophobicContact CB-CD1 3.58Å; F118-Y383 HydrophobicContact CB-CE1 3.83Å; F118-Y383 HydrophobicContact CB-CG 4.11Å; F118-Y383 HydrophobicContact CG-CD1 4.5Å; K120-Y383 HydrophobicContact CB-CE1 3.69Å; H380-Y383 HydrophobicContact CB-CD2 4.21Å; H380-Y383 PolarHBondContact O-N 3.01Å; E381-Y383 VanDerWaalsContact C-N 3.3Å; E381-Y383 PolarHBondContact O-N 2.77Å; Y383-G385 VanDerWaalsContact C-N 3.32Å; Y383-G385 PolarHBondContact O-N 2.89Å; Y383-A386 PolarHBondContact O-N 3.43Å; Y383-I387 WeakPolarHBondContact O-CG1 3.22Å; Y383-I387 PolarHBondContact O-N 3.21Å; Y383-D433 WeakPolarHBondContact OH-CB 3.5Å; Y383-D433 PolarHBondContact OH-O 2.77Å; Y383-L435 HydrophobicContact CE2-CB 4.37Å
384	L	92.5	Very high	89.7	Confident	2 Å²	2	11 Å²	11	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-53.3	-45.5	-171.2	-56.1	-174.6	0	0	0	113.1	L176 G179 C180 V183 L378 I387 G388	L176-L384 HydrophobicContact CD1-CB 3.67Å; L176-L384 HydrophobicContact CD1-CD1 4.13Å; L176-L384 HydrophobicContact CG-CB 4.46Å; G179-L384 WeakPolarHBondContact CA-O 3.44Å; C180-L384 HydrophobicContact CB-CD1 4.16Å; V183-L384 HydrophobicContact CG1-CD2 4.42Å; V183-L384 HydrophobicContact CG2-CD2 3.72Å; L378-L384 HydrophobicContact CD1-CD1 3.81Å; L378-L384 HydrophobicContact CD1-CD2 4.46Å; L384-I387 PolarHBondContact O-N 2.73Å; L384-G388 PolarHBondContact O-N 3.18Å
385	G	92.7	Very high	88.5	Confident	5 Å²	5	11.7 Å²	11.7	5%	0.052	6%	0.062	C	C	.	.	H	α-helix	trans	-62.1	-45.8	177.3	0	0	0	0	0	113.1	Y383 G388 A389	Y383-G385 VanDerWaalsContact C-N 3.32Å; Y383-G385 PolarHBondContact O-N 2.89Å; G385-G388 PolarHBondContact O-N 3.37Å; G385-A389 WeakPolarHBondContact O-CB 3.34Å; G385-A389 PolarHBondContact O-N 3.2Å
386	A	92.3	Very high	86.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.7	-39.1	179.2	0	0	0	0	0	112.2	D65 K72 A74 Y383 A389 F390	D65-A386 HydrophobicContact CB-CB 3.98Å; K72-A386 HydrophobicContact CB-CB 3.82Å; A74-A386 HydrophobicContact CB-CB 4.14Å; Y383-A386 PolarHBondContact O-N 3.43Å; A386-A389 PolarHBondContact O-N 3Å; A386-F390 WeakPolarHBondContact O-CB 3.4Å; A386-F390 PolarHBondContact O-N 2.72Å
387	I	92.3	Very high	85.1	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-59.8	-49.3	172.5	-64.8	165.3	0	0	0	109.8	F118 F182 V183 Y383 L384 A389 F390 L391	F118-I387 HydrophobicContact CD1-CG1 3.79Å; F118-I387 HydrophobicContact CE1-CB 4.1Å; F118-I387 HydrophobicContact CE1-CD1 4.44Å; F118-I387 HydrophobicContact CE1-CG1 3.28Å; F118-I387 HydrophobicContact CE2-CG1 4.29Å; F118-I387 HydrophobicContact CG-CG1 4.49Å; F118-I387 HydrophobicContact CZ-CB 4.43Å; F118-I387 HydrophobicContact CZ-CD1 4.49Å; F118-I387 HydrophobicContact CZ-CG1 3.57Å; F182-I387 HydrophobicContact CB-CG2 4.03Å; F182-I387 HydrophobicContact CD1-CG2 3.58Å; F182-I387 HydrophobicContact CE1-CG2 4.25Å; F182-I387 HydrophobicContact CG-CG2 3.94Å; V183-I387 HydrophobicContact CG1-CD1 3.53Å; Y383-I387 WeakPolarHBondContact O-CG1 3.22Å; Y383-I387 PolarHBondContact O-N 3.21Å; L384-I387 PolarHBondContact O-N 2.73Å; I387-A389 PolarHBondContact O-N 2.65Å; I387-F390 WeakPolarHBondContact O-CB 3.46Å; I387-F390 PolarHBondContact O-N 2.98Å; I387-L391 HydrophobicContact CG2-CD1 3.83Å; I387-L391 HydrophobicContact CG2-CG 4.29Å; I387-L391 VanDerWaalsContact O-CG 3.27Å; I387-L391 WeakPolarHBondContact O-CG 3.41Å; I387-L391 PolarHBondContact O-N 2.69Å
388	G	92.6	Very high	83.6	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.8	-42.7	179	0	0	0	0	0	114.1	C175 L384 G385 F390 L391 K392	C175-G388 WeakPolarHBondContact O-CA 3.38Å; L384-G388 PolarHBondContact O-N 3.18Å; G385-G388 PolarHBondContact O-N 3.37Å; G388-F390 VanDerWaalsContact C-N 3.31Å; G388-L391 PolarHBondContact O-N 3.21Å; G388-K392 WeakPolarHBondContact O-CB 3.41Å; G388-K392 WeakPolarHBondContact O-CG 3.26Å; G388-K392 PolarHBondContact O-N 2.88Å
389	A	92.4	Very high	82	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.6	-39.5	175.9	0	0	0	0	0	111.3	A63 Q146 T148 C175 G385 A386 I387 K392 G393	A63-A389 HydrophobicContact CB-CB 3.89Å; Q146-A389 HydrophobicContact CB-CB 4.36Å; Q146-A389 WeakPolarHBondContact CB-O 3.42Å; T148-A389 HydrophobicContact CG2-CB 4.01Å; C175-A389 VanDerWaalsContact SG-CA 3.6Å; C175-A389 PolarHBondContact SG-N 2.9Å; C175-A389 VanDerWaalsContact SG-N 3.42Å; G385-A389 WeakPolarHBondContact O-CB 3.34Å; G385-A389 PolarHBondContact O-N 3.2Å; A386-A389 PolarHBondContact O-N 3Å; I387-A389 PolarHBondContact O-N 2.65Å; A389-K392 PolarHBondContact O-N 3.11Å; A389-G393 PolarHBondContact O-N 3.14Å; A389-G393 VanDerWaalsContact O-N 3.11Å
390	F	89.9	Confident	80.7	Confident	5 Å²	5	34 Å²	34	2%	0.022	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-48.9	173.6	175.9	-92.9	0	0	0	112	R61 A63 A74 Y76 L116 A386 I387 G388 K392 G393 A394	R61-F390 HydrophobicContact CB-CE2 4.19Å; R61-F390 HydrophobicContact CG-CE2 4.16Å; A63-F390 HydrophobicContact CB-CB 3.84Å; A63-F390 VanDerWaalsContact CB-N 3.3Å; A74-F390 HydrophobicContact CB-CB 4.01Å; Y76-F390 VanDerWaalsContact CB-CE2 3.49Å; Y76-F390 HydrophobicContact CD2-CZ 4.05Å; Y76-F390 HydrophobicContact CG-CZ 4.23Å; L116-F390 HydrophobicContact CD1-CD1 4.46Å; L116-F390 HydrophobicContact CD1-CE1 4.17Å; L116-F390 HydrophobicContact CD2-CD1 3.9Å; L116-F390 HydrophobicContact CD2-CD2 4.48Å; L116-F390 HydrophobicContact CD2-CE1 3.25Å; L116-F390 HydrophobicContact CD2-CE2 3.91Å; L116-F390 HydrophobicContact CD2-CG 4.49Å; L116-F390 HydrophobicContact CD2-CZ 3.26Å; L116-F390 HydrophobicContact CG-CE1 4.35Å; A386-F390 WeakPolarHBondContact O-CB 3.4Å; A386-F390 PolarHBondContact O-N 2.72Å; I387-F390 WeakPolarHBondContact O-CB 3.46Å; I387-F390 PolarHBondContact O-N 2.98Å; G388-F390 VanDerWaalsContact C-N 3.31Å; F390-K392 VanDerWaalsContact C-N 3.28Å; F390-K392 PolarHBondContact O-N 3.17Å; F390-G393 CarbonylContact O-C 3.11Å; F390-G393 PolarHBondContact O-N 3.36Å; F390-G393 VanDerWaalsContact O-N 3.16Å; F390-A394 HydrophobicContact CE1-CB 4.17Å; F390-A394 HydrophobicContact CZ-CB 4.35Å; F390-A394 WeakPolarHBondContact O-CB 3.38Å; F390-A394 PolarHBondContact O-N 2.91Å
391	L	88.1	Confident	79.7	Confident	10 Å²	10	38.9 Å²	38.9	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-37.4	-179.7	-69.3	171.8	0	0	0	111.9	F182 I387 G388 A394 E395 P399	F182-L391 HydrophobicContact CB-CD1 3.71Å; F182-L391 HydrophobicContact CD2-CD1 3.75Å; F182-L391 HydrophobicContact CD2-CD2 3.93Å; F182-L391 HydrophobicContact CD2-CG 4.44Å; F182-L391 HydrophobicContact CE2-CD2 3.98Å; F182-L391 HydrophobicContact CG-CD1 3.81Å; I387-L391 HydrophobicContact CG2-CD1 3.83Å; I387-L391 HydrophobicContact CG2-CG 4.29Å; I387-L391 VanDerWaalsContact O-CG 3.27Å; I387-L391 WeakPolarHBondContact O-CG 3.41Å; I387-L391 PolarHBondContact O-N 2.69Å; G388-L391 PolarHBondContact O-N 3.21Å; L391-A394 CarbonylContact O-C 3.43Å; L391-A394 WeakPolarHBondContact O-CA 3.12Å; L391-A394 PolarHBondContact O-N 3.44Å; L391-A394 VanDerWaalsContact O-N 3.09Å; L391-E395 WeakPolarHBondContact O-CG 3.12Å; L391-E395 PolarHBondContact O-N 2.83Å; L391-E395 VanDerWaalsContact O-N 3.08Å; L391-P399 HydrophobicContact CD2-CB 3.69Å; L391-P399 HydrophobicContact CD2-CG 3.76Å
392	K	85.9	Confident	79.3	Confident	48 Å²	48	41.6 Å²	41.6	21%	0.209	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-48.3	172.7	-83.2	-77.5	171.4	-158.7	0	112	E170 K178 G388 A389 F390 A394 E395	E170-K392 HydrophobicContact CG-CB 4.08Å; E170-K392 HydrophobicContact CG-CG 4.39Å; K178-K392 HydrophobicContact CD-CG 4.39Å; K178-K392 VanDerWaalsContact CE-CE 3.46Å; G388-K392 WeakPolarHBondContact O-CB 3.41Å; G388-K392 WeakPolarHBondContact O-CG 3.26Å; G388-K392 PolarHBondContact O-N 2.88Å; A389-K392 PolarHBondContact O-N 3.11Å; F390-K392 VanDerWaalsContact C-N 3.28Å; F390-K392 PolarHBondContact O-N 3.17Å; K392-A394 PolarHBondContact O-N 3.09Å; K392-A394 VanDerWaalsContact O-N 3.17Å; K392-E395 WeakPolarHBondContact CD-OE1 3.3Å; K392-E395 WeakPolarHBondContact CE-OE1 3.24Å; K392-E395 IonicContact NZ-OE1 2.72Å; K392-E395 PolarHBondContact NZ-OE1 3.36Å; K392-E395 IonicContact NZ-OE2 3.45Å; K392-E395 PolarHBondContact O-N 3.32Å
393	G	78.6	Confident	79.4	Confident	14 Å²	14	41.9 Å²	41.9	14%	0.144	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-17.4	174.3	0	0	0	0	0	114.3	R61 Q146 A389 F390	R61-G393 PolarHBondContact NE-O 3.24Å; Q146-G393 VanDerWaalsContact CD-CA 3.41Å; A389-G393 PolarHBondContact O-N 3.14Å; A389-G393 VanDerWaalsContact O-N 3.11Å; F390-G393 CarbonylContact O-C 3.11Å; F390-G393 PolarHBondContact O-N 3.36Å; F390-G393 VanDerWaalsContact O-N 3.16Å
394	A	74.1	Confident	79.3	Confident	3 Å²	3	41.6 Å²	41.6	3%	0.025	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	3	-179.1	0	0	0	0	0	114.8	F390 L391 K392 Q396 D397 P399	F390-A394 HydrophobicContact CE1-CB 4.17Å; F390-A394 HydrophobicContact CZ-CB 4.35Å; F390-A394 WeakPolarHBondContact O-CB 3.38Å; F390-A394 PolarHBondContact O-N 2.91Å; L391-A394 CarbonylContact O-C 3.43Å; L391-A394 WeakPolarHBondContact O-CA 3.12Å; L391-A394 PolarHBondContact O-N 3.44Å; L391-A394 VanDerWaalsContact O-N 3.09Å; K392-A394 PolarHBondContact O-N 3.09Å; K392-A394 VanDerWaalsContact O-N 3.17Å; A394-Q396 PolarHBondContact O-N 3.08Å; A394-D397 WeakPolarHBondContact O-CA 3.41Å; A394-D397 WeakPolarHBondContact O-CB 3.28Å; A394-D397 PolarHBondContact O-N 3.3Å; A394-P399 HydrophobicContact CB-CG 4.2Å; A394-P399 WeakPolarHBondContact O-CD 3.46Å
395	E	68.5	Low	79.2	Confident	90 Å²	90	42.3 Å²	42.3	42%	0.421	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-54.9	-32.7	-174.4	-76.8	-177.8	171.4	0	0	113.2	L391 K392 D397 N398	L391-E395 WeakPolarHBondContact O-CG 3.12Å; L391-E395 PolarHBondContact O-N 2.83Å; L391-E395 VanDerWaalsContact O-N 3.08Å; K392-E395 WeakPolarHBondContact CD-OE1 3.3Å; K392-E395 WeakPolarHBondContact CE-OE1 3.24Å; K392-E395 IonicContact NZ-OE1 2.72Å; K392-E395 PolarHBondContact NZ-OE1 3.36Å; K392-E395 IonicContact NZ-OE2 3.45Å; K392-E395 PolarHBondContact O-N 3.32Å; E395-D397 PolarHBondContact O-N 3.15Å; E395-N398 PolarHBondContact O-N 3.45Å
396	Q	57.4	Low	79.2	Confident	184 Å²	184	42.3 Å²	42.3	86%	0.86	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-65.2	-25.7	176	-63.7	-178	-0.9	0	0	113.6	A394	A394-Q396 PolarHBondContact O-N 3.08Å
397	D	59.9	Low	79.2	Confident	88 Å²	88	42.5 Å²	42.5	47%	0.471	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-93.5	5.2	-179.5	-55.8	-41.6	0	0	0	112.7	R61 A394 E395	R61-D397 IonicContact CZ-OD2 2.81Å; R61-D397 IonicContact NH1-OD2 3.63Å; R61-D397 PolarHBondContact NH1-OD2 2.65Å; R61-D397 IonicContact NH2-OD2 2.82Å; R61-D397 PolarHBondContact NH2-OD2 3.03Å; A394-D397 WeakPolarHBondContact O-CA 3.41Å; A394-D397 WeakPolarHBondContact O-CB 3.28Å; A394-D397 PolarHBondContact O-N 3.3Å; E395-D397 PolarHBondContact O-N 3.15Å
398	N	63.8	Low	79.2	Confident	85 Å²	85	43.2 Å²	43.2	46%	0.455	22%	0.219	S	C	.	.			trans	45.3	62.9	-178.5	-69.7	-54.5	0	0	0	113.8	E395 N400 Q401	E395-N398 PolarHBondContact O-N 3.45Å; N398-N400 PolarHBondContact O-N 3Å; N398-Q401 HydrophobicContact CB-CB 4.43Å; N398-Q401 HydrophobicContact CB-CG 3.78Å; N398-Q401 PolarHBondContact ND2-NE2 3.23Å; N398-Q401 WeakPolarHBondContact O-CB 3.32Å; N398-Q401 PolarHBondContact O-N 2.85Å
399	P	59.8	Low	79	Confident	14 Å²	14	43.3 Å²	43.3	9%	0.091	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-58.6	-22.5	-175.3	23.8	-35.3	0	0	0	113.5	L391 A394 Q401 Y402	L391-P399 HydrophobicContact CD2-CB 3.69Å; L391-P399 HydrophobicContact CD2-CG 3.76Å; A394-P399 HydrophobicContact CB-CG 4.2Å; A394-P399 WeakPolarHBondContact O-CD 3.46Å; P399-Q401 VanDerWaalsContact C-N 3.27Å; P399-Q401 PolarHBondContact O-N 3.23Å; P399-Y402 PolarHBondContact O-N 2.98Å
400	N	63.6	Low	78.8	Confident	117 Å²	117	43.8 Å²	43.8	63%	0.626	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-74.8	-7.5	175.7	-65.8	-20.6	0	0	0	114.3	N398 Y402	N398-N400 PolarHBondContact O-N 3Å; N400-Y402 VanDerWaalsContact C-N 3.28Å
401	Q	69	Low	78.8	Confident	111 Å²	111	43.6 Å²	43.6	52%	0.519	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-76.6	-18.4	172.4	-75.1	179.5	5.9	0	0	112.7	N398 P399	N398-Q401 HydrophobicContact CB-CB 4.43Å; N398-Q401 HydrophobicContact CB-CG 3.78Å; N398-Q401 PolarHBondContact ND2-NE2 3.23Å; N398-Q401 WeakPolarHBondContact O-CB 3.32Å; N398-Q401 PolarHBondContact O-N 2.85Å; P399-Q401 VanDerWaalsContact C-N 3.27Å; P399-Q401 PolarHBondContact O-N 3.23Å
402	Y	79.5	Confident	78.6	Confident	75 Å²	75	44.9 Å²	44.9	29%	0.294	23%	0.234	S	C	.	.	S	Bend	trans	-108.4	150.2	-177.7	-54.3	-76.9	0	0	0	110.6	P399 N400 R439	P399-Y402 PolarHBondContact O-N 2.98Å; N400-Y402 VanDerWaalsContact C-N 3.28Å; Y402-R439 HydrophobicContact CD1-CG 4.21Å; Y402-R439 HydrophobicContact CG-CG 3.97Å
403	S	84.9	Confident	78.6	Confident	15 Å²	15	43.3 Å²	43.3	11%	0.105	23%	0.231	C	C	.	.			trans	-91.5	150.1	164.6	-65.8	0	0	0	0	109.5	L440 L444	S403-L440 WeakPolarHBondContact O-CB 3.36Å; S403-L440 PolarHBondContact O-N 3.42Å; S403-L444 PolarHBondContact OG-N 3.14Å
404	W	88.5	Confident	78.8	Confident	7 Å²	7	43.4 Å²	43.4	3%	0.027	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.6	177.2	-59.7	80.9	0	0	0	110.1	Y76 A114 L116 F182 N186 M437 D438 R439 R729	Y76-W404 HydrophobicContact CD2-CH2 4.48Å; Y76-W404 HydrophobicContact CE2-CH2 4.35Å; A114-W404 HydrophobicContact CB-CH2 4.48Å; L116-W404 HydrophobicContact CB-CZ3 4.38Å; L116-W404 HydrophobicContact CD1-CD2 4.01Å; L116-W404 HydrophobicContact CD1-CE3 3.75Å; L116-W404 HydrophobicContact CD1-CH2 3.75Å; L116-W404 HydrophobicContact CD1-CZ2 4.01Å; L116-W404 HydrophobicContact CD1-CZ3 3.64Å; L116-W404 HydrophobicContact CD2-CH2 4.11Å; L116-W404 HydrophobicContact CD2-CZ3 4.31Å; L116-W404 HydrophobicContact CG-CE3 3.96Å; L116-W404 HydrophobicContact CG-CH2 3.66Å; L116-W404 HydrophobicContact CG-CZ2 4.4Å; L116-W404 HydrophobicContact CG-CZ3 3.42Å; L116-W404 VanDerWaalsContact CG-CZ3 3.42Å; F182-W404 AromaticContact CE2-CD1 3.5Å; F182-W404 VanDerWaalsContact CE2-CD1 3.5Å; F182-W404 HydrophobicContact CE2-CG 4.13Å; F182-W404 AromaticContact CE2-NE1 3.74Å; F182-W404 HydrophobicContact CZ-CB 4.08Å; F182-W404 AromaticContact CZ-CD1 3.47Å; F182-W404 VanDerWaalsContact CZ-CD1 3.47Å; F182-W404 HydrophobicContact CZ-CD2 4.11Å; F182-W404 AromaticContact CZ-CG 3.61Å; F182-W404 HydrophobicContact CZ-CG 3.61Å; F182-W404 AromaticContact CZ-NE1 3.87Å; N186-W404 HydrophobicContact CB-CB 4.11Å; N186-W404 PolarHBondContact OD1-N 3.18Å; W404-M437 HydrophobicContact CB-CE 3.71Å; W404-M437 HydrophobicContact CE3-CB 4.32Å; W404-D438 WeakPolarHBondContact CA-O 3.22Å; W404-R439 HydrophobicContact CD2-CB 4.33Å; W404-R439 HydrophobicContact CD2-CG 4.43Å; W404-R439 HydrophobicContact CE3-CB 3.82Å; W404-R439 HydrophobicContact CE3-CG 4.4Å; W404-R439 HydrophobicContact CH2-CB 3.74Å; W404-R439 HydrophobicContact CH2-CG 4.01Å; W404-R439 HydrophobicContact CZ2-CB 4.24Å; W404-R439 HydrophobicContact CZ2-CG 4.03Å; W404-R439 HydrophobicContact CZ3-CB 3.48Å; W404-R439 VanDerWaalsContact CZ3-CB 3.48Å; W404-R439 HydrophobicContact CZ3-CG 4.18Å; W404-R729 PolarHBondContact O-NH2 2.77Å
405	G	89.9	Confident	78.7	Confident	16 Å²	16	45.5 Å²	45.5	17%	0.165	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	142.4	176	0	0	0	0	0	111.1	N407 M437 D438	G405-N407 PolarHBondContact O-N 3.44Å; G405-M437 CarbonylContact O-C 3.6Å; G405-M437 WeakPolarHBondContact O-CA 3.45Å; G405-D438 PolarHBondContact N-O 2.89Å; G405-D438 PolarHBondContact O-N 3.15Å
406	E	92.7	Very high	78.4	Confident	6 Å²	6	42 Å²	42	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.9	173.1	-177.4	179.8	-178.7	0	0	110.1	R379 H380 Y408 L435 Y523 H537	R379-E406 IonicContact CZ-OE1 3.6Å; R379-E406 IonicContact CZ-OE2 3.78Å; R379-E406 VanDerWaalsContact CZ-OE2 3.26Å; R379-E406 IonicContact NH1-OE2 3.76Å; R379-E406 PolarHBondContact NH1-OE2 3.17Å; R379-E406 IonicContact NH2-OE1 3.13Å; R379-E406 PolarHBondContact NH2-OE1 3.47Å; R379-E406 IonicContact NH2-OE2 3.84Å; R379-E406 PolarHBondContact NH2-OE2 3.05Å; H380-E406 IonicContact NE2-OE1 2.86Å; E406-Y408 HydrophobicContact CB-CD1 4.41Å; E406-Y408 HydrophobicContact CB-CE1 4.06Å; E406-Y408 HydrophobicContact CG-CD1 3.98Å; E406-Y408 HydrophobicContact CG-CE1 4.02Å; E406-Y408 PolarHBondContact O-N 3.36Å; E406-L435 HydrophobicContact CG-CD1 4.02Å; E406-Y523 WeakPolarHBondContact OE1-CD1 3.21Å; E406-H537 PolarHBondContact O-CE1 2.89Å
407	N	92.4	Very high	78.4	Confident	4 Å²	4	36.3 Å²	36.3	2%	0.021	20%	0.201	C	C	.	.			trans	-85.4	103	171.7	-174.4	-59.9	0	0	0	109.3	R115 G405 A409 G410 S411 E436 D438	R115-N407 PolarHBondContact NH2-ND2 3.34Å; R115-N407 VanDerWaalsContact NH2-ND2 3.12Å; G405-N407 PolarHBondContact O-N 3.44Å; N407-A409 PolarHBondContact O-N 3.36Å; N407-A409 WeakPolarHBondContact OD1-CA 3.27Å; N407-A409 VanDerWaalsContact OD1-CB 3.28Å; N407-A409 WeakPolarHBondContact OD1-CB 3.46Å; N407-A409 PolarHBondContact OD1-N 3.43Å; N407-G410 PolarHBondContact O-N 2.95Å; N407-G410 PolarHBondContact OD1-N 2.96Å; N407-S411 VanDerWaalsContact O-CB 3.28Å; N407-S411 WeakPolarHBondContact O-CB 3.43Å; N407-S411 PolarHBondContact O-N 3.5Å; N407-S411 PolarHBondContact O-OG 2.84Å; N407-E436 HydrophobicContact CB-CB 3.97Å; N407-E436 PolarHBondContact N-O 3.29Å; N407-D438 WeakPolarHBondContact CB-OD2 3.28Å; N407-D438 PolarHBondContact ND2-OD2 3.2Å
408	Y	91.6	Very high	77.6	Confident	15 Å²	15	34.6 Å²	34.6	6%	0.059	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.2	179.5	-55.3	-40.5	0	0	0	114.2	E406 K512 Y523 D533 H537	E406-Y408 HydrophobicContact CB-CD1 4.41Å; E406-Y408 HydrophobicContact CB-CE1 4.06Å; E406-Y408 HydrophobicContact CG-CD1 3.98Å; E406-Y408 HydrophobicContact CG-CE1 4.02Å; E406-Y408 PolarHBondContact O-N 3.36Å; Y408-K512 VanDerWaalsContact O-CE 3.23Å; Y408-K512 WeakPolarHBondContact O-CE 3.48Å; Y408-K512 PolarHBondContact O-NZ 2.85Å; Y408-Y523 AromaticContact CD1-CD1 3.72Å; Y408-Y523 HydrophobicContact CD1-CD1 3.72Å; Y408-Y523 HydrophobicContact CD1-CG 4.07Å; Y408-Y523 HydrophobicContact CE1-CD1 4.38Å; Y408-D533 HydrophobicContact CD2-CB 4.15Å; Y408-D533 HydrophobicContact CE2-CB 3.89Å; Y408-H537 AromaticContact CD2-CE1 3.88Å; Y408-H537 AromaticContact CD2-ND1 3.58Å; Y408-H537 AromaticContact CG-ND1 3.88Å; Y408-H537 PolarHBondContact N-ND1 3.2Å
409	A	89.2	Confident	76.5	Confident	3 Å²	3	33.8 Å²	33.8	3%	0.025	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-41.5	177	0	0	0	0	0	111.1	N407 K508 H537 E541	N407-A409 PolarHBondContact O-N 3.36Å; N407-A409 WeakPolarHBondContact OD1-CA 3.27Å; N407-A409 VanDerWaalsContact OD1-CB 3.28Å; N407-A409 WeakPolarHBondContact OD1-CB 3.46Å; N407-A409 PolarHBondContact OD1-N 3.43Å; A409-K508 WeakPolarHBondContact O-CE 3.47Å; A409-K508 PolarHBondContact O-NZ 2.87Å; A409-K508 VanDerWaalsContact O-NZ 3.13Å; A409-H537 HydrophobicContact CB-CB 3.99Å; A409-E541 HydrophobicContact CB-CB 4.42Å
410	G	87	Confident	75.6	Confident	10 Å²	10	41.6 Å²	41.6	10%	0.103	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-35.7	-180	0	0	0	0	0	114.8	N407 L434 E436	N407-G410 PolarHBondContact O-N 2.95Å; N407-G410 PolarHBondContact OD1-N 2.96Å; G410-L434 WeakPolarHBondContact O-CD2 3.45Å; G410-E436 WeakPolarHBondContact CA-OE2 3.33Å
411	S	90.4	Very high	74.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.			trans	-74.4	147.2	-171.2	-56.5	0	0	0	0	113.1	N407 L434 E436 K512 Y523	N407-S411 VanDerWaalsContact O-CB 3.28Å; N407-S411 WeakPolarHBondContact O-CB 3.43Å; N407-S411 PolarHBondContact O-N 3.5Å; N407-S411 PolarHBondContact O-OG 2.84Å; S411-L434 CarbonylContact C-O 3.5Å; S411-L434 WeakPolarHBondContact CA-O 3.25Å; S411-E436 PolarHBondContact OG-N 3.37Å; S411-E436 PolarHBondContact OG-O 3.35Å; S411-K512 PolarHBondContact O-NZ 3.42Å; S411-Y523 PolarHBondContact O-OH 3.39Å; S411-Y523 VanDerWaalsContact O-OH 3.12Å
412	S	84.3	Confident	72.6	Confident	37 Å²	37	35.5 Å²	35.5	26%	0.259	21%	0.209	S	C	.	.			trans	-75.8	-32.3	178.3	-60.3	0	0	0	0	112.7	M415 L434 Y523	S412-M415 WeakPolarHBondContact O-CE 3.49Å; S412-L434 PolarHBondContact N-O 3.1Å; S412-L434 PolarHBondContact OG-N 3.03Å; S412-L434 VanDerWaalsContact OG-N 3.16Å; S412-Y523 PolarHBondContact O-OH 2.88Å; S412-Y523 VanDerWaalsContact O-OH 3.08Å
413	G	85.2	Confident	70.5	Confident	15 Å²	15	36.5 Å²	36.5	16%	0.155	23%	0.225	C	C	.	.			trans	82.1	168.7	-171.8	0	0	0	0	0	113.5	M415 A522	G413-M415 PolarHBondContact O-N 3.32Å; G413-A522 CarbonylContact C-O 3.59Å; G413-A522 WeakPolarHBondContact CA-O 3.41Å
414	L	82.6	Confident	67.9	Low	16 Å²	16	39.9 Å²	39.9	8%	0.084	25%	0.254	C	S	.	.			trans	-70.6	112.3	175.8	179	65.7	0	0	0	110.2	F192 F202 R379 F521 A522	F192-L414 HydrophobicContact CE1-CD2 3.81Å; F192-L414 HydrophobicContact CZ-CD2 3.78Å; F202-L414 HydrophobicContact CD1-CD2 4.21Å; F202-L414 HydrophobicContact CE1-CD2 4.11Å; R379-L414 HydrophobicContact CG-CB 4.45Å; R379-L414 HydrophobicContact CG-CD2 4.29Å; L414-F521 HydrophobicContact CD2-CD2 4.41Å; L414-A522 PolarHBondContact N-O 3.12Å
415	M	73	Confident	65.4	Low	48 Å²	48	45.6 Å²	45.6	24%	0.236	28%	0.281	C	S	.	.			trans	-87.8	122.4	176.5	-64.2	-65.7	124.6	0	0	110.6	S412 G413 Q519	S412-M415 WeakPolarHBondContact O-CE 3.49Å; G413-M415 PolarHBondContact O-N 3.32Å; M415-Q519 PolarHBondContact SD-OE1 2.85Å
416	S	61.8	Low	63.2	Low	16 Å²	16	50.4 Å²	50.4	11%	0.112	29%	0.294	C	S	.	.			trans	-88.8	115.7	162.7	-175.3	0	0	0	0	108.8	S418 Q519	S416-S418 VanDerWaalsContact C-N 3.27Å; S416-S418 PolarHBondContact O-N 3.11Å; S416-Q519 PolarHBondContact O-NE2 3.45Å
417	T	56.4	Low	60.3	Low	64 Å²	64	53.5 Å²	53.5	39%	0.393	32%	0.32	S	S	.	.			trans	-79.6	78	175.5	46.9	0	0	0	0	109.3	H354	H354-T417 PolarHBondContact CE1-OG1 3.19Å; H354-T417 PolarHBondContact ND1-OG1 3.11Å
418	S	43.7	Very low	57.5	Low	52 Å²	52	64.7 Å²	64.7	36%	0.364	36%	0.362	S	S	.	.			trans	-60.6	135.6	168	-178.9	0	0	0	0	109.4	S416 E420 L421	S416-S418 VanDerWaalsContact C-N 3.27Å; S416-S418 PolarHBondContact O-N 3.11Å; S418-E420 PolarHBondContact O-N 3.13Å; S418-L421 PolarHBondContact O-N 3.5Å
419	P	41.3	Very low	55.1	Low	68 Å²	68	67.3 Å²	67.3	44%	0.442	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-16.2	-180	-22.6	31.5	0	0	0	114.9
420	E	39.8	Very low	52.8	Low	178 Å²	178	69.9 Å²	69.9	83%	0.832	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.3	-175.2	-62.8	-175	167.2	0	0	114.1	S418 G422	S418-E420 PolarHBondContact O-N 3.13Å; E420-G422 PolarHBondContact O-N 3.31Å
421	L	40.2	Very low	51	Low	68 Å²	68	72 Å²	72	36%	0.356	42%	0.42	S	S	.	.	S	Bend	trans	-76.7	113.3	178.3	-73.8	154.6	0	0	0	110.3	S418 R426	S418-L421 PolarHBondContact O-N 3.5Å; L421-R426 PolarHBondContact O-NE 3.43Å; L421-R426 PolarHBondContact O-NH2 2.66Å
422	G	31.1	Very low	49.7	Very low	33 Å²	33	73.8 Å²	73.8	34%	0.34	43%	0.428	S	S	.	.			trans	-61.3	163.1	-175.9	0	0	0	0	0	114.5	E420 A424 Q425 R426	E420-G422 PolarHBondContact O-N 3.31Å; G422-A424 PolarHBondContact O-N 3.06Å; G422-A424 VanDerWaalsContact O-N 3.16Å; G422-Q425 PolarHBondContact O-N 3.33Å; G422-R426 PolarHBondContact O-N 3.05Å
423	P	35.3	Very low	49.3	Very low	96 Å²	96	74 Å²	74	62%	0.623	43%	0.426	S	S	*	.	H	α-helix	trans	-59.2	-27.8	-175.9	-22.6	32.2	0	0	0	115	R426 A427	P423-R426 WeakPolarHBondContact O-CB 3.38Å; P423-R426 PolarHBondContact O-N 3.5Å; P423-A427 PolarHBondContact O-N 2.89Å
424	A	30.3	Very low	49.3	Very low	85 Å²	85	74.2 Å²	74.2	70%	0.702	42%	0.424	S	S	*	.	H	α-helix	trans	-72.6	-30.3	-177.5	0	0	0	0	0	113.6	G422	G422-A424 PolarHBondContact O-N 3.06Å; G422-A424 VanDerWaalsContact O-N 3.16Å
425	Q	34.2	Very low	49.7	Very low	127 Å²	127	73.5 Å²	73.5	59%	0.593	42%	0.42	S	S	*	.	H	α-helix	trans	-80.5	-28.7	172.3	-85.1	172.8	-17.4	0	0	112	G422 A427 R428 S429	G422-Q425 PolarHBondContact O-N 3.33Å; Q425-A427 VanDerWaalsContact C-N 3.27Å; Q425-A427 PolarHBondContact O-N 2.76Å; Q425-R428 PolarHBondContact O-N 3.09Å; Q425-S429 PolarHBondContact O-N 3.08Å
426	R	44.6	Very low	50.6	Low	117 Å²	117	71.2 Å²	71.2	44%	0.442	41%	0.409	S	S	.	.	H	α-helix	trans	-60.5	-33.8	170.6	-74.1	177.6	-121.4	173.6	-4	113	L421 G422 P423 G430	L421-R426 PolarHBondContact O-NE 3.43Å; L421-R426 PolarHBondContact O-NH2 2.66Å; G422-R426 PolarHBondContact O-N 3.05Å; P423-R426 WeakPolarHBondContact O-CB 3.38Å; P423-R426 PolarHBondContact O-N 3.5Å; R426-G430 PolarHBondContact O-N 3.49Å; R426-G430 VanDerWaalsContact O-N 3.12Å
427	A	32.2	Very low	52.1	Low	71 Å²	71	70.4 Å²	70.4	59%	0.587	40%	0.404	S	S	*	.	H	α-helix	trans	-73.9	-23.5	-176.8	0	0	0	0	0	114.6	P423 Q425	P423-A427 PolarHBondContact O-N 2.89Å; Q425-A427 VanDerWaalsContact C-N 3.27Å; Q425-A427 PolarHBondContact O-N 2.76Å
428	R	33.8	Very low	53.7	Low	240 Å²	240	68.8 Å²	68.8	91%	0.906	39%	0.393	S	S	*	.	H	α-helix	trans	-93.1	-25.8	175	-77.4	-172.7	175.5	-178.4	-1.9	113.5	Q425	Q425-R428 PolarHBondContact O-N 3.09Å
429	S	40.1	Very low	55.8	Low	69 Å²	69	69.9 Å²	69.9	48%	0.483	39%	0.389	S	S	.	.	H	α-helix	trans	-102.4	-10.4	-172.9	-173.6	0	0	0	0	114.6	Q425	Q425-S429 PolarHBondContact O-N 3.08Å
430	G	41.3	Very low	57.8	Low	57 Å²	57	69 Å²	69	59%	0.588	38%	0.38	S	S	*	.	S	Bend	trans	-104.1	-5.6	-170.8	0	0	0	0	0	116.5	R426	R426-G430 PolarHBondContact O-N 3.49Å; R426-G430 VanDerWaalsContact O-N 3.12Å
431	T	49.8	Very low	59.5	Low	54 Å²	54	66.6 Å²	66.6	33%	0.331	37%	0.369	S	S	.	.	S	Bend	trans	-84.2	-32.2	-172.6	-39.4	0	0	0	0	112.4	Y125	Y125-T431 HydrophobicContact CE2-CG2 4.5Å
432	F	62.8	Low	61.6	Low	39 Å²	39	68.4 Å²	68.4	17%	0.171	37%	0.371	C	S	.	.			trans	-146.1	120.1	-178.5	-60.5	-83.2	0	0	0	111	L47 I52 I119 K120 F121	L47-F432 HydrophobicContact CD2-CE1 4.4Å; L47-F432 HydrophobicContact CD2-CE2 3.77Å; L47-F432 HydrophobicContact CD2-CZ 3.38Å; I52-F432 HydrophobicContact CD1-CB 4.42Å; I52-F432 HydrophobicContact CD1-CD1 4.39Å; I52-F432 HydrophobicContact CD1-CD2 3.3Å; I52-F432 HydrophobicContact CD1-CE2 3.57Å; I52-F432 HydrophobicContact CD1-CG 3.78Å; I52-F432 HydrophobicContact CD1-CZ 4.25Å; I52-F432 HydrophobicContact CG1-CB 4.3Å; I52-F432 HydrophobicContact CG1-CD2 4.1Å; I52-F432 HydrophobicContact CG1-CG 4.14Å; I52-F432 HydrophobicContact CG2-CB 4.15Å; I52-F432 HydrophobicContact CG2-CD1 3.75Å; I52-F432 HydrophobicContact CG2-CD2 4.49Å; I52-F432 HydrophobicContact CG2-CE1 4.32Å; I52-F432 HydrophobicContact CG2-CG 3.86Å; I119-F432 HydrophobicContact CG2-CD1 3.8Å; K120-F432 WeakPolarHBondContact O-CA 3.48Å; F121-F432 HydrophobicContact CB-CD1 3.84Å; F121-F432 HydrophobicContact CB-CE1 3.52Å; F121-F432 HydrophobicContact CB-CZ 4.41Å; F121-F432 HydrophobicContact CD1-CE1 4.38Å; F121-F432 HydrophobicContact CG-CE1 4.14Å
433	D	75.6	Confident	64.3	Low	40 Å²	40	69 Å²	69	21%	0.214	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.6	166.1	-70.1	-31.3	0	0	0	108.5	K120 Y383	K120-D433 WeakPolarHBondContact CE-OD2 3.25Å; K120-D433 PolarHBondContact N-O 3.46Å; K120-D433 IonicContact NZ-OD2 2.66Å; K120-D433 PolarHBondContact NZ-OD2 3.41Å; Y383-D433 WeakPolarHBondContact OH-CB 3.5Å; Y383-D433 PolarHBondContact OH-O 2.77Å
434	L	86.1	Confident	66.9	Low	20 Å²	20	65.9 Å²	65.9	11%	0.105	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	132.5	-178	-178.4	62.7	0	0	0	110.7	F118 I119 G410 S411 S412 E436	F118-L434 WeakPolarHBondContact O-CA 3.2Å; I119-L434 HydrophobicContact CG1-CD1 3.88Å; G410-L434 WeakPolarHBondContact O-CD2 3.45Å; S411-L434 CarbonylContact C-O 3.5Å; S411-L434 WeakPolarHBondContact CA-O 3.25Å; S412-L434 PolarHBondContact N-O 3.1Å; S412-L434 PolarHBondContact OG-N 3.03Å; S412-L434 VanDerWaalsContact OG-N 3.16Å; L434-E436 HydrophobicContact CD1-CG 4.1Å; L434-E436 HydrophobicContact CD2-CG 4.01Å; L434-E436 HydrophobicContact CG-CG 3.97Å
435	L	90.1	Very high	69.8	Low	1 Å²	1	64.2 Å²	64.2	1%	0.005	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.5	162.1	162.2	67.6	0	0	0	107.6	F118 H380 Y383 E406 M437	F118-L435 HydrophobicContact CB-CB 4.13Å; F118-L435 HydrophobicContact CD2-CB 4.25Å; F118-L435 HydrophobicContact CD2-CD2 3.73Å; F118-L435 HydrophobicContact CD2-CG 3.83Å; F118-L435 HydrophobicContact CE2-CD2 4.27Å; F118-L435 HydrophobicContact CG-CD2 4.34Å; F118-L435 PolarHBondContact N-O 2.98Å; F118-L435 PolarHBondContact O-N 3.33Å; H380-L435 HydrophobicContact CB-CD2 4.33Å; Y383-L435 HydrophobicContact CE2-CB 4.37Å; E406-L435 HydrophobicContact CG-CD1 4.02Å; L435-M437 HydrophobicContact CD1-CG 3.84Å; L435-M437 HydrophobicContact CD1-SD 4.47Å; L435-M437 HydrophobicContact CD2-CG 4.33Å; L435-M437 HydrophobicContact CD2-SD 4.05Å; L435-M437 HydrophobicContact CG-CG 4.03Å; L435-M437 HydrophobicContact CG-SD 4.41Å
436	E	92.1	Very high	72.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.4	170.6	-68.5	-165.1	158.5	0	0	109.6	R54 R115 L116 H117 N407 G410 S411 L434	R54-E436 WeakPolarHBondContact CD-OE1 3.4Å; R115-E436 HydrophobicContact CG-CB 4.46Å; R115-E436 IonicContact CZ-OE2 3.74Å; R115-E436 IonicContact NE-OE2 2.68Å; R115-E436 IonicContact NH1-OE2 2.9Å; R115-E436 PolarHBondContact NH1-OE2 3.16Å; L116-E436 CarbonylContact O-C 3.39Å; L116-E436 VanDerWaalsContact O-CA 3.31Å; L116-E436 WeakPolarHBondContact O-CA 3.41Å; H117-E436 IonicContact CE1-OE1 3.78Å; H117-E436 PolarHBondContact CE1-OE1 2.97Å; H117-E436 IonicContact ND1-OE1 2.73Å; H117-E436 PolarHBondContact ND1-OE1 2.98Å; N407-E436 HydrophobicContact CB-CB 3.97Å; N407-E436 PolarHBondContact N-O 3.29Å; G410-E436 WeakPolarHBondContact CA-OE2 3.33Å; S411-E436 PolarHBondContact OG-N 3.37Å; S411-E436 PolarHBondContact OG-O 3.35Å; L434-E436 HydrophobicContact CD1-CG 4.1Å; L434-E436 HydrophobicContact CD2-CG 4.01Å; L434-E436 HydrophobicContact CG-CG 3.97Å
437	M	92.3	Very high	75.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.5	176.1	-59	179.6	70.7	0	0	110.4	R115 L116 F118 F182 N186 I187 W404 G405 L435	R115-M437 WeakPolarHBondContact CA-O 3.45Å; L116-M437 HydrophobicContact CB-CB 4.34Å; L116-M437 PolarHBondContact N-O 3.25Å; L116-M437 PolarHBondContact O-N 2.79Å; F118-M437 HydrophobicContact CE2-CG 4.43Å; F118-M437 HydrophobicContact CE2-SD 4.08Å; F182-M437 HydrophobicContact CE1-CE 3.63Å; F182-M437 HydrophobicContact CE1-SD 3.79Å; F182-M437 HydrophobicContact CZ-CE 4.2Å; N186-M437 HydrophobicContact CB-CE 4.12Å; I187-M437 HydrophobicContact CD1-CE 3.8Å; I187-M437 HydrophobicContact CD1-SD 3.99Å; I187-M437 HydrophobicContact CG1-CE 3.55Å; I187-M437 HydrophobicContact CG1-SD 4.41Å; W404-M437 HydrophobicContact CB-CE 3.71Å; W404-M437 HydrophobicContact CE3-CB 4.32Å; G405-M437 CarbonylContact O-C 3.6Å; G405-M437 WeakPolarHBondContact O-CA 3.45Å; L435-M437 HydrophobicContact CD1-CG 3.84Å; L435-M437 HydrophobicContact CD1-SD 4.47Å; L435-M437 HydrophobicContact CD2-CG 4.33Å; L435-M437 HydrophobicContact CD2-SD 4.05Å; L435-M437 HydrophobicContact CG-CG 4.03Å; L435-M437 HydrophobicContact CG-SD 4.41Å
438	D	90.6	Very high	78.1	Confident	30 Å²	30	53.2 Å²	53.2	16%	0.16	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	135.2	175	-73.2	-44.2	0	0	0	110.1	R115 W404 G405 N407 L440	R115-D438 IonicContact CZ-OD1 2.96Å; R115-D438 IonicContact CZ-OD2 2.9Å; R115-D438 IonicContact NE-OD1 3.24Å; R115-D438 PolarHBondContact NE-OD1 3.39Å; R115-D438 IonicContact NE-OD2 3.16Å; R115-D438 IonicContact NH2-OD1 3.43Å; R115-D438 PolarHBondContact NH2-OD1 3.02Å; R115-D438 IonicContact NH2-OD2 3.87Å; R115-D438 PolarHBondContact NH2-OD2 3.38Å; R115-D438 VanDerWaalsContact NH2-OD2 3.15Å; W404-D438 WeakPolarHBondContact CA-O 3.22Å; G405-D438 PolarHBondContact N-O 2.89Å; G405-D438 PolarHBondContact O-N 3.15Å; N407-D438 WeakPolarHBondContact CB-OD2 3.28Å; N407-D438 PolarHBondContact ND2-OD2 3.2Å; D438-L440 PolarHBondContact O-N 3.44Å
439	R	88.1	Confident	81.2	Confident	74 Å²	74	43 Å²	43	28%	0.279	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	123.8	170.3	-167.6	177.1	66.6	175	-4	108.8	A114 Y402 W404	A114-R439 HydrophobicContact CB-CB 3.75Å; A114-R439 WeakPolarHBondContact O-CB 3.19Å; A114-R439 PolarHBondContact O-N 2.91Å; Y402-R439 HydrophobicContact CD1-CG 4.21Å; Y402-R439 HydrophobicContact CG-CG 3.97Å; W404-R439 HydrophobicContact CD2-CB 4.33Å; W404-R439 HydrophobicContact CD2-CG 4.43Å; W404-R439 HydrophobicContact CE3-CB 3.82Å; W404-R439 HydrophobicContact CE3-CG 4.4Å; W404-R439 HydrophobicContact CH2-CB 3.74Å; W404-R439 HydrophobicContact CH2-CG 4.01Å; W404-R439 HydrophobicContact CZ2-CB 4.24Å; W404-R439 HydrophobicContact CZ2-CG 4.03Å; W404-R439 HydrophobicContact CZ3-CB 3.48Å; W404-R439 VanDerWaalsContact CZ3-CB 3.48Å; W404-R439 HydrophobicContact CZ3-CG 4.18Å
440	L	84.1	Confident	83.8	Confident	51 Å²	51	40 Å²	40	27%	0.267	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-78	139.1	170.7	-52	179.8	0	0	0	108.4	S403 D438 R442 L444	S403-L440 WeakPolarHBondContact O-CB 3.36Å; S403-L440 PolarHBondContact O-N 3.42Å; D438-L440 PolarHBondContact O-N 3.44Å; L440-R442 PolarHBondContact O-N 2.96Å; L440-R442 VanDerWaalsContact O-N 3.12Å; L440-L444 HydrophobicContact CD1-CD1 3.5Å; L440-L444 VanDerWaalsContact CD1-CD1 3.5Å; L440-L444 HydrophobicContact CD1-CG 4.18Å
441	E	75.8	Confident	86.4	Confident	127 Å²	127	41.5 Å²	41.5	59%	0.593	21%	0.21	S	C	*	.	S	Bend	trans	-59	-28.4	-176.1	-64.9	-169.7	159.3	0	0	113.2
442	R	82.3	Confident	88.3	Confident	105 Å²	105	42.7 Å²	42.7	40%	0.396	21%	0.214	S	C	.	.	S	Bend	trans	-132.6	146.8	-170.2	-57.7	-175.6	-177.2	-92.9	-6.7	110.7	L440 L444 Q717 D731	L440-R442 PolarHBondContact O-N 2.96Å; L440-R442 VanDerWaalsContact O-N 3.12Å; R442-L444 PolarHBondContact O-N 2.98Å; R442-Q717 VanDerWaalsContact CZ-NE2 3.29Å; R442-D731 WeakPolarHBondContact CB-OD1 3.41Å; R442-D731 WeakPolarHBondContact CD-OD1 3.39Å
443	P	88.1	Confident	89.6	Confident	47 Å²	47	42.6 Å²	42.6	31%	0.305	22%	0.217	S	C	.	.			trans	-67.1	130.5	172.6	27.2	-32.2	0	0	0	109.7	K732	P443-K732 HydrophobicContact CG-CB 3.96Å; P443-K732 HydrophobicContact CG-CD 3.9Å; P443-K732 WeakPolarHBondContact O-CB 3.37Å; P443-K732 PolarHBondContact O-N 3.38Å; P443-K732 VanDerWaalsContact O-N 3.14Å
444	L	90.1	Very high	90.1	Very high	30 Å²	30	42.4 Å²	42.4	16%	0.157	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	141.5	177	-56.5	-174.6	0	0	0	110.9	S403 L440 R442 R729 L730	S403-L444 PolarHBondContact OG-N 3.14Å; L440-L444 HydrophobicContact CD1-CD1 3.5Å; L440-L444 VanDerWaalsContact CD1-CD1 3.5Å; L440-L444 HydrophobicContact CD1-CG 4.18Å; R442-L444 PolarHBondContact O-N 2.98Å; L444-R729 HydrophobicContact CB-CB 4.28Å; L444-R729 HydrophobicContact CD1-CB 4.05Å; L444-L730 CarbonylContact C-O 3.5Å; L444-L730 VanDerWaalsContact CA-O 3.24Å; L444-L730 WeakPolarHBondContact CA-O 3.31Å
445	V	91.6	Very high	90.2	Very high	50 Å²	50	45.1 Å²	45.1	30%	0.303	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	164.4	-177.9	-60.4	0	0	0	0	111	S728 L730 K732 A735	V445-S728 CarbonylContact C-O 3.59Å; V445-S728 VanDerWaalsContact C-O 3.28Å; V445-L730 PolarHBondContact N-O 2.83Å; V445-L730 PolarHBondContact O-N 3.12Å; V445-K732 HydrophobicContact CG1-CB 4.45Å; V445-K732 HydrophobicContact CG1-CG 4.5Å; V445-K732 HydrophobicContact CG2-CB 4.36Å; V445-A735 HydrophobicContact CG2-CB 3.48Å; V445-A735 VanDerWaalsContact CG2-CB 3.48Å
446	N	93.4	Very high	90.3	Very high	45 Å²	45	45.8 Å²	45.8	24%	0.241	24%	0.242	C	C	.	.			trans	-62.8	144.9	174	-62.7	-33.1	0	0	0	112.1	L450 L727 S728	N446-L450 HydrophobicContact CB-CD1 4.4Å; N446-L727 CarbonylContact C-O 3.3Å; N446-S728 PolarHBondContact N-O 3Å; N446-S728 WeakPolarHBondContact OD1-CA 3.32Å; N446-S728 VanDerWaalsContact OD1-CB 3.26Å; N446-S728 WeakPolarHBondContact OD1-CB 3.34Å; N446-S728 PolarHBondContact OD1-O 3.12Å
447	L	96.4	Very high	90.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.265	C	S	.	.			trans	-57.5	125.2	163	-177.4	75.6	0	0	0	108.3	L449 L450 L644 F646 L727 L730 L763	L447-L449 HydrophobicContact CD2-CB 4.01Å; L447-L449 HydrophobicContact CG-CB 4.16Å; L447-L449 PolarHBondContact O-N 3.34Å; L447-L449 VanDerWaalsContact O-N 3.07Å; L447-L450 HydrophobicContact CB-CD1 4.3Å; L447-L450 HydrophobicContact CB-CG 4.17Å; L447-L450 PolarHBondContact O-N 3.14Å; L447-L450 VanDerWaalsContact O-N 3.17Å; L447-L644 HydrophobicContact CD1-CD2 3.69Å; L447-F646 HydrophobicContact CD1-CZ 4.47Å; L447-L727 HydrophobicContact CB-CB 4.14Å; L447-L727 WeakPolarHBondContact CB-O 3.44Å; L447-L727 HydrophobicContact CD2-CD1 4.13Å; L447-L727 HydrophobicContact CD2-CD2 4.11Å; L447-L727 PolarHBondContact N-O 2.81Å; L447-L730 HydrophobicContact CB-CD1 3.72Å; L447-L730 HydrophobicContact CD1-CD1 3.64Å; L447-L730 HydrophobicContact CG-CD1 4.25Å; L447-L763 HydrophobicContact CD2-CD2 3.96Å
448	P	96.5	Very high	90.4	Very high	37 Å²	37	50 Å²	50	24%	0.24	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-9.6	-176.8	30.4	-38.9	0	0	0	114.2	V738 R739	P448-V738 HydrophobicContact CG-CB 4.04Å; P448-V738 HydrophobicContact CG-CG1 3.61Å; P448-R739 HydrophobicContact CB-CG 3.72Å; P448-R739 VanDerWaalsContact CB-NE 3.3Å; P448-R739 HydrophobicContact CG-CG 3.8Å
449	L	97.3	Very high	90.6	Very high	25 Å²	25	49.5 Å²	49.5	13%	0.131	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-0.3	179.6	-60	171.8	0	0	0	112.8	L447 L451 V738 A743 V746 L763 C764 C765	L447-L449 HydrophobicContact CD2-CB 4.01Å; L447-L449 HydrophobicContact CG-CB 4.16Å; L447-L449 PolarHBondContact O-N 3.34Å; L447-L449 VanDerWaalsContact O-N 3.07Å; L449-L451 PolarHBondContact O-N 2.82Å; L449-V738 HydrophobicContact CD1-CG1 3.62Å; L449-V738 HydrophobicContact CG-CG1 3.91Å; L449-A743 HydrophobicContact CD1-CB 4.2Å; L449-V746 HydrophobicContact CD1-CG2 3.59Å; L449-L763 CarbonylContact O-C 3.58Å; L449-L763 WeakPolarHBondContact O-CA 3.36Å; L449-L763 WeakPolarHBondContact O-CB 3.14Å; L449-L763 WeakPolarHBondContact O-CD2 3.34Å; L449-C764 PolarHBondContact O-N 3.27Å; L449-C765 HydrophobicContact CD2-CB 4.4Å
450	L	95.9	Very high	90.8	Very high	8 Å²	8	48 Å²	48	4%	0.042	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-63.4	129.6	171.4	-81.3	168.9	0	0	0	110.3	N446 L447 P453 Y456 L727 L763	N446-L450 HydrophobicContact CB-CD1 4.4Å; L447-L450 HydrophobicContact CB-CD1 4.3Å; L447-L450 HydrophobicContact CB-CG 4.17Å; L447-L450 PolarHBondContact O-N 3.14Å; L447-L450 VanDerWaalsContact O-N 3.17Å; L450-P453 HydrophobicContact CB-CG 3.98Å; L450-Y456 HydrophobicContact CD1-CD1 4.12Å; L450-Y456 HydrophobicContact CD1-CE1 4.5Å; L450-Y456 HydrophobicContact CD1-CG 4.17Å; L450-Y456 HydrophobicContact CD2-CD1 4.39Å; L450-Y456 HydrophobicContact CD2-CD2 3.47Å; L450-Y456 VanDerWaalsContact CD2-CD2 3.47Å; L450-Y456 HydrophobicContact CD2-CE2 3.85Å; L450-Y456 HydrophobicContact CD2-CG 3.76Å; L450-L727 HydrophobicContact CD1-CB 4.02Å; L450-L727 WeakPolarHBondContact CD1-O 3.37Å; L450-L727 HydrophobicContact CD2-CB 4.15Å; L450-L727 HydrophobicContact CD2-CD1 4.24Å; L450-L727 HydrophobicContact CG-CB 4.25Å; L450-L763 HydrophobicContact CD2-CD2 3.96Å; L450-L763 HydrophobicContact CG-CD2 4.4Å
451	L	94.7	Very high	91.2	Very high	87 Å²	87	47 Å²	47	46%	0.455	26%	0.259	S	S	.	.	S	Bend	trans	-65.3	-48.2	-177.4	-177.1	64.2	0	0	0	112.5	L449 A762 C764	L449-L451 PolarHBondContact O-N 2.82Å; L451-A762 HydrophobicContact CB-CB 4Å; L451-A762 WeakPolarHBondContact CB-O 3.23Å; L451-A762 HydrophobicContact CD2-CB 3.88Å; L451-A762 PolarHBondContact N-O 2.6Å; L451-C764 VanDerWaalsContact CA-SG 3.58Å
452	D	91.3	Very high	92	Very high	79 Å²	79	43.3 Å²	43.3	42%	0.422	24%	0.244	S	C	.	.			trans	-138	88.3	177.4	-175.8	12.2	0	0	0	109.3	P454 S455 Y456	D452-P454 WeakPolarHBondContact OD1-CD 3.16Å; D452-S455 WeakPolarHBondContact CB-OG 3.23Å; D452-S455 PolarHBondContact O-N 2.9Å; D452-S455 VanDerWaalsContact O-N 3.15Å; D452-S455 PolarHBondContact O-OG 3.32Å; D452-S455 VanDerWaalsContact OD2-CB 3.25Å; D452-S455 WeakPolarHBondContact OD2-CB 3.25Å; D452-S455 PolarHBondContact OD2-OG 3.04Å; D452-S455 VanDerWaalsContact OD2-OG 3.12Å; D452-Y456 PolarHBondContact O-N 2.92Å; D452-Y456 VanDerWaalsContact O-N 3.16Å
453	P	90.4	Very high	92.5	Very high	37 Å²	37	38.3 Å²	38.3	24%	0.24	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-57.2	-39.7	-178	-20.7	29.4	0	0	0	114.4	L450 S455 Y456	L450-P453 HydrophobicContact CB-CG 3.98Å; P453-S455 VanDerWaalsContact C-N 3.34Å; P453-S455 PolarHBondContact O-N 3.14Å; P453-Y456 WeakPolarHBondContact O-CB 3.38Å; P453-Y456 PolarHBondContact O-N 3.07Å
454	P	85.8	Confident	92.7	Very high	37 Å²	37	36.4 Å²	36.4	24%	0.24	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-52.3	-40.4	170	-34	37.6	0	0	0	116.5	H208 P209 D452	H208-P454 WeakPolarHBondContact NE2-CB 3.15Å; P209-P454 HydrophobicContact CG-CG 3.87Å; D452-P454 WeakPolarHBondContact OD1-CD 3.16Å
455	S	87.9	Confident	92.6	Very high	77 Å²	77	38.6 Å²	38.6	54%	0.538	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-90.8	-4.5	-177.8	81.7	0	0	0	0	113.3	D452 P453 V457	D452-S455 WeakPolarHBondContact CB-OG 3.23Å; D452-S455 PolarHBondContact O-N 2.9Å; D452-S455 VanDerWaalsContact O-N 3.15Å; D452-S455 PolarHBondContact O-OG 3.32Å; D452-S455 VanDerWaalsContact OD2-CB 3.25Å; D452-S455 WeakPolarHBondContact OD2-CB 3.25Å; D452-S455 PolarHBondContact OD2-OG 3.04Å; D452-S455 VanDerWaalsContact OD2-OG 3.12Å; P453-S455 VanDerWaalsContact C-N 3.34Å; P453-S455 PolarHBondContact O-N 3.14Å; S455-V457 PolarHBondContact O-N 3.46Å
456	Y	92.3	Very high	92.7	Very high	14 Å²	14	37.9 Å²	37.9	6%	0.055	22%	0.219	C	C	.	.			trans	-69.9	123.9	-176.4	168.9	-103.7	0	0	0	110.7	L450 D452 P453 P458 D726 L727 N758 A761	L450-Y456 HydrophobicContact CD1-CD1 4.12Å; L450-Y456 HydrophobicContact CD1-CE1 4.5Å; L450-Y456 HydrophobicContact CD1-CG 4.17Å; L450-Y456 HydrophobicContact CD2-CD1 4.39Å; L450-Y456 HydrophobicContact CD2-CD2 3.47Å; L450-Y456 VanDerWaalsContact CD2-CD2 3.47Å; L450-Y456 HydrophobicContact CD2-CE2 3.85Å; L450-Y456 HydrophobicContact CD2-CG 3.76Å; D452-Y456 PolarHBondContact O-N 2.92Å; D452-Y456 VanDerWaalsContact O-N 3.16Å; P453-Y456 WeakPolarHBondContact O-CB 3.38Å; P453-Y456 PolarHBondContact O-N 3.07Å; Y456-P458 HydrophobicContact CE1-CB 3.98Å; Y456-P458 HydrophobicContact CE1-CG 4.31Å; Y456-P458 WeakPolarHBondContact OH-CA 3.33Å; Y456-P458 WeakPolarHBondContact OH-CB 3.43Å; Y456-D726 WeakPolarHBondContact CE1-OD1 3.36Å; Y456-L727 HydrophobicContact CE1-CB 4.09Å; Y456-L727 HydrophobicContact CE2-CB 4.28Å; Y456-L727 HydrophobicContact CE2-CD1 4.43Å; Y456-L727 WeakPolarHBondContact OH-CB 3.37Å; Y456-L727 PolarHBondContact OH-N 3.17Å; Y456-N758 PolarHBondContact OH-OD1 3.21Å; Y456-A761 HydrophobicContact CD2-CB 4.31Å; Y456-A761 HydrophobicContact CE2-CB 3.83Å
457	V	92.3	Very high	92.6	Very high	83 Å²	83	38.2 Å²	38.2	50%	0.503	23%	0.228	S	C	.	.			trans	-116.3	116.6	172	-178.2	0	0	0	0	107.2	T206 S455	T206-V457 HydrophobicContact CG2-CG2 4.12Å; S455-V457 PolarHBondContact O-N 3.46Å
458	P	93.9	Very high	92.5	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.032	26%	0.261	C	S	.	.			trans	-65.4	-46.2	-178.6	20.7	-29	0	0	0	111.6	Y456 D726 T757 N758	Y456-P458 HydrophobicContact CE1-CB 3.98Å; Y456-P458 HydrophobicContact CE1-CG 4.31Å; Y456-P458 WeakPolarHBondContact OH-CA 3.33Å; Y456-P458 WeakPolarHBondContact OH-CB 3.43Å; P458-D726 HydrophobicContact CB-CB 4.29Å; P458-T757 HydrophobicContact CB-CG2 4.39Å; P458-T757 CarbonylContact O-C 3.57Å; P458-T757 WeakPolarHBondContact O-CA 3.34Å; P458-T757 WeakPolarHBondContact O-CB 3.44Å; P458-N758 PolarHBondContact O-N 3.4Å
459	D	94.9	Very high	92.3	Very high	21 Å²	21	42.7 Å²	42.7	11%	0.112	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-80.2	133.2	-170.7	-57.7	-94.7	0	0	0	113.4	T527 R529	D459-T527 HydrophobicContact CB-CG2 3.68Å; D459-T527 VanDerWaalsContact CG-CG2 3.47Å; D459-T527 WeakPolarHBondContact OD1-CB 3.3Å; D459-T527 PolarHBondContact OD1-OG1 2.87Å; D459-R529 VanDerWaalsContact OD1-CB 3.29Å; D459-R529 WeakPolarHBondContact OD1-CB 3.28Å; D459-R529 IonicContact OD1-CZ 2.7Å; D459-R529 IonicContact OD1-NE 3.62Å; D459-R529 PolarHBondContact OD1-NE 2.72Å; D459-R529 IonicContact OD1-NH2 3.38Å; D459-R529 IonicContact OD2-CZ 3.74Å; D459-R529 IonicContact OD2-NE 3.63Å; D459-R529 PolarHBondContact OD2-NE 3.44Å; D459-R529 IonicContact OD2-NH2 2.68Å; D459-R529 PolarHBondContact OD2-NH2 2.82Å
460	T	92.7	Very high	92.2	Very high	42 Å²	42	43.7 Å²	43.7	26%	0.258	25%	0.251	S	S	.	.	S	Bend	trans	-79.6	-27.3	-178.8	-56.5	0	0	0	0	113.1	V755 H756 Y759	T460-V755 WeakPolarHBondContact CB-O 3.4Å; T460-V755 PolarHBondContact OG1-O 3.18Å; T460-H756 PolarHBondContact N-O 2.92Å; T460-H756 PolarHBondContact OG1-O 3.31Å; T460-Y759 HydrophobicContact CG2-CD1 4.38Å; T460-Y759 WeakPolarHBondContact OG1-CB 3.19Å
461	V	91.2	Very high	92.2	Very high	29 Å²	29	49.8 Å²	49.8	18%	0.176	28%	0.278	C	S	.	.			trans	-129.6	120.2	-177.2	-174.4	0	0	0	0	110	L463 A469	V461-L463 HydrophobicContact CG1-CD2 3.85Å; V461-A469 HydrophobicContact CG1-CB 4.19Å
462	D	92.4	Very high	92.2	Very high	51 Å²	51	48.7 Å²	48.7	27%	0.273	27%	0.268	S	S	.	.			trans	-82.6	109.9	168.3	-168.2	-33.3	0	0	0	109.4	T464 D465 D466 T525	D462-T464 VanDerWaalsContact C-N 3.31Å; D462-T464 VanDerWaalsContact OD1-CA 3.29Å; D462-T464 WeakPolarHBondContact OD1-CA 3.5Å; D462-T464 WeakPolarHBondContact OD1-CB 3.28Å; D462-T464 PolarHBondContact OD1-N 2.97Å; D462-T464 PolarHBondContact OD1-OG1 3.22Å; D462-D465 HydrophobicContact CB-CB 4.22Å; D462-D465 PolarHBondContact O-N 3.36Å; D462-D465 PolarHBondContact OD1-N 3.01Å; D462-D466 WeakPolarHBondContact O-CB 3.42Å; D462-D466 PolarHBondContact O-N 2.87Å; D462-D466 VanDerWaalsContact O-N 3.09Å; D462-T525 HydrophobicContact CB-CG2 4.21Å; D462-T525 WeakPolarHBondContact OD1-CG2 3.42Å; D462-T525 WeakPolarHBondContact OD2-CG2 3.46Å
463	L	94.4	Very high	92.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.6	177.2	-51.1	178.4	0	0	0	111.9	V461 D465 A469 R470 W473 L526 V528 L531	V461-L463 HydrophobicContact CG1-CD2 3.85Å; L463-D465 VanDerWaalsContact C-N 3.31Å; L463-A469 HydrophobicContact CD2-CB 3.55Å; L463-R470 HydrophobicContact CB-CB 4.19Å; L463-R470 VanDerWaalsContact O-CB 3.3Å; L463-R470 WeakPolarHBondContact O-CB 3.44Å; L463-R470 VanDerWaalsContact O-CD 3.28Å; L463-R470 WeakPolarHBondContact O-CD 3.32Å; L463-R470 PolarHBondContact O-NH1 3.29Å; L463-W473 HydrophobicContact CD1-CB 4.13Å; L463-W473 HydrophobicContact CD1-CG 4.35Å; L463-W473 HydrophobicContact CD2-CG 4.46Å; L463-L526 WeakPolarHBondContact CA-O 3.31Å; L463-L526 HydrophobicContact CB-CB 4.12Å; L463-L526 HydrophobicContact CB-CD2 4Å; L463-L526 HydrophobicContact CB-CG 3.83Å; L463-L526 WeakPolarHBondContact CB-O 3.23Å; L463-L526 HydrophobicContact CD1-CG 4.21Å; L463-L526 PolarHBondContact N-O 3.48Å; L463-V528 HydrophobicContact CD1-CG2 4.17Å; L463-L531 HydrophobicContact CD1-CD1 3.95Å
464	T	90.8	Very high	92.7	Very high	7 Å²	7	44 Å²	44	4%	0.043	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-38.1	167.2	-55.3	0	0	0	0	109.9	P200 D462 R470 P520 L526	P200-T464 HydrophobicContact CB-CG2 3.91Å; D462-T464 VanDerWaalsContact C-N 3.31Å; D462-T464 VanDerWaalsContact OD1-CA 3.29Å; D462-T464 WeakPolarHBondContact OD1-CA 3.5Å; D462-T464 WeakPolarHBondContact OD1-CB 3.28Å; D462-T464 PolarHBondContact OD1-N 2.97Å; D462-T464 PolarHBondContact OD1-OG1 3.22Å; T464-R470 VanDerWaalsContact C-NH1 3.34Å; T464-R470 PolarHBondContact O-NH1 2.86Å; T464-P520 HydrophobicContact CG2-CB 4.36Å; T464-P520 HydrophobicContact CG2-CG 4.31Å; T464-L526 PolarHBondContact OG1-N 2.86Å
465	D	89.6	Confident	93.2	Very high	76 Å²	76	44.4 Å²	44.4	41%	0.406	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-34.1	-175.4	-66	16.7	0	0	0	111.7	P200 D462 L463 A467	P200-D465 WeakPolarHBondContact CB-OD1 3.46Å; P200-D465 WeakPolarHBondContact CD-OD1 3.5Å; P200-D465 WeakPolarHBondContact CD-OD2 3.49Å; P200-D465 WeakPolarHBondContact CG-OD1 3.33Å; D462-D465 HydrophobicContact CB-CB 4.22Å; D462-D465 PolarHBondContact O-N 3.36Å; D462-D465 PolarHBondContact OD1-N 3.01Å; L463-D465 VanDerWaalsContact C-N 3.31Å; D465-A467 PolarHBondContact O-N 3.19Å
466	D	92.6	Very high	93.4	Very high	34 Å²	34	41.8 Å²	41.8	18%	0.182	22%	0.223	C	C	.	.			trans	-99	94.5	-177.4	-164.8	-46.3	0	0	0	112.9	D462 L468 A469 R470 R781	D462-D466 WeakPolarHBondContact O-CB 3.42Å; D462-D466 PolarHBondContact O-N 2.87Å; D462-D466 VanDerWaalsContact O-N 3.09Å; D466-L468 VanDerWaalsContact C-N 3.29Å; D466-L468 PolarHBondContact O-N 2.94Å; D466-L468 PolarHBondContact OD1-N 2.82Å; D466-A469 HydrophobicContact CB-CB 3.76Å; D466-A469 VanDerWaalsContact CG-CB 3.45Å; D466-A469 PolarHBondContact O-N 2.96Å; D466-A469 WeakPolarHBondContact OD1-CB 3.48Å; D466-A469 PolarHBondContact OD1-N 2.85Å; D466-R470 WeakPolarHBondContact O-CB 3.19Å; D466-R470 PolarHBondContact O-N 3.18Å; D466-R781 IonicContact OD1-NH1 3.74Å; D466-R781 IonicContact OD2-CZ 3.15Å; D466-R781 IonicContact OD2-NH1 2.71Å; D466-R781 PolarHBondContact OD2-NH1 2.83Å; D466-R781 IonicContact OD2-NH2 2.76Å; D466-R781 PolarHBondContact OD2-NH2 3.13Å
467	A	91.9	Very high	93.5	Very high	52 Å²	52	42 Å²	42	43%	0.43	22%	0.224	S	C	.	.	H	α-helix	trans	-61.4	-32.9	-179.9	0	0	0	0	0	114.1	D465 K471	D465-A467 PolarHBondContact O-N 3.19Å; A467-K471 WeakPolarHBondContact O-CB 3.46Å; A467-K471 PolarHBondContact O-N 3.42Å
468	L	93.1	Very high	93.6	Very high	133 Å²	133	39.6 Å²	39.6	70%	0.696	21%	0.207	S	C	*	.	H	α-helix	trans	-73.2	-47.2	179.9	-69.7	176.5	0	0	0	110.6	D466 R470 K471 Y472	D466-L468 VanDerWaalsContact C-N 3.29Å; D466-L468 PolarHBondContact O-N 2.94Å; D466-L468 PolarHBondContact OD1-N 2.82Å; L468-R470 VanDerWaalsContact C-N 3.33Å; L468-K471 PolarHBondContact O-N 3.39Å; L468-Y472 WeakPolarHBondContact O-CB 3.46Å; L468-Y472 PolarHBondContact O-N 3.04Å
469	A	94.1	Very high	93.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-46.1	174	0	0	0	0	0	110.6	V461 L463 D466 K471 Y472 W473 W777	V461-A469 HydrophobicContact CG1-CB 4.19Å; L463-A469 HydrophobicContact CD2-CB 3.55Å; D466-A469 HydrophobicContact CB-CB 3.76Å; D466-A469 VanDerWaalsContact CG-CB 3.45Å; D466-A469 PolarHBondContact O-N 2.96Å; D466-A469 WeakPolarHBondContact OD1-CB 3.48Å; D466-A469 PolarHBondContact OD1-N 2.85Å; A469-K471 PolarHBondContact O-N 3.4Å; A469-Y472 PolarHBondContact O-N 3.19Å; A469-W473 PolarHBondContact O-N 2.89Å; A469-W777 VanDerWaalsContact CA-CH2 3.48Å; A469-W777 HydrophobicContact CB-CH2 3.48Å; A469-W777 VanDerWaalsContact CB-CH2 3.48Å; A469-W777 HydrophobicContact CB-CZ2 4.21Å; A469-W777 HydrophobicContact CB-CZ3 4.26Å
470	R	94.9	Very high	93.4	Very high	45 Å²	45	45.5 Å²	45.5	17%	0.17	24%	0.241	C	C	.	.	H	α-helix	trans	-55.3	-51.7	177.3	-179	169.1	58.3	-115.6	11	111.8	L463 T464 D466 L468 Y472 L474 L526	L463-R470 HydrophobicContact CB-CB 4.19Å; L463-R470 VanDerWaalsContact O-CB 3.3Å; L463-R470 WeakPolarHBondContact O-CB 3.44Å; L463-R470 VanDerWaalsContact O-CD 3.28Å; L463-R470 WeakPolarHBondContact O-CD 3.32Å; L463-R470 PolarHBondContact O-NH1 3.29Å; T464-R470 VanDerWaalsContact C-NH1 3.34Å; T464-R470 PolarHBondContact O-NH1 2.86Å; D466-R470 WeakPolarHBondContact O-CB 3.19Å; D466-R470 PolarHBondContact O-N 3.18Å; L468-R470 VanDerWaalsContact C-N 3.33Å; R470-Y472 VanDerWaalsContact C-N 3.31Å; R470-Y472 PolarHBondContact O-N 2.77Å; R470-L474 HydrophobicContact CG-CD1 3.69Å; R470-L474 HydrophobicContact CG-CG 4.46Å; R470-L474 WeakPolarHBondContact O-CB 3.37Å; R470-L474 VanDerWaalsContact O-CG 3.31Å; R470-L474 WeakPolarHBondContact O-CG 3.4Å; R470-L474 PolarHBondContact O-N 3.26Å; R470-L526 HydrophobicContact CG-CD2 3.91Å
471	K	95.6	Very high	93.4	Very high	137 Å²	137	43.8 Å²	43.8	60%	0.596	23%	0.23	S	C	*	.	H	α-helix	trans	-59.3	-45.6	179	-178.2	179.4	177.4	-178.1	0	110.9	A467 L468 A469 T475	A467-K471 WeakPolarHBondContact O-CB 3.46Å; A467-K471 PolarHBondContact O-N 3.42Å; L468-K471 PolarHBondContact O-N 3.39Å; A469-K471 PolarHBondContact O-N 3.4Å; K471-T475 WeakPolarHBondContact O-CB 3.28Å; K471-T475 PolarHBondContact O-N 3.34Å; K471-T475 PolarHBondContact O-OG1 2.86Å
472	Y	95.3	Very high	93.5	Very high	63 Å²	63	47 Å²	47	25%	0.247	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-56.9	179.5	177	-98.6	0	0	0	111.7	L468 A469 R470 L474 T475 C476 N775 W777	L468-Y472 WeakPolarHBondContact O-CB 3.46Å; L468-Y472 PolarHBondContact O-N 3.04Å; A469-Y472 PolarHBondContact O-N 3.19Å; R470-Y472 VanDerWaalsContact C-N 3.31Å; R470-Y472 PolarHBondContact O-N 2.77Å; Y472-L474 PolarHBondContact O-N 3.14Å; Y472-T475 PolarHBondContact O-N 3.13Å; Y472-C476 VanDerWaalsContact CE1-SG 3.55Å; Y472-C476 PolarHBondContact O-N 2.68Å; Y472-C476 PolarHBondContact O-SG 3.31Å; Y472-C476 VanDerWaalsContact O-SG 3.39Å; Y472-N775 PolarHBondContact OH-ND2 3.46Å; Y472-N775 PolarHBondContact OH-OD1 3.3Å; Y472-N775 VanDerWaalsContact OH-OD1 3.14Å; Y472-W777 HydrophobicContact CD1-CB 4.19Å; Y472-W777 AromaticContact CD1-CD2 3.69Å; Y472-W777 HydrophobicContact CD1-CD2 3.69Å; Y472-W777 AromaticContact CD1-CE3 3.7Å; Y472-W777 HydrophobicContact CD1-CE3 3.7Å; Y472-W777 AromaticContact CD1-CG 3.9Å; Y472-W777 HydrophobicContact CD1-CG 3.9Å; Y472-W777 HydrophobicContact CD1-CZ3 4.37Å; Y472-W777 HydrophobicContact CD2-CB 4.01Å; Y472-W777 AromaticContact CD2-CD1 3.75Å; Y472-W777 HydrophobicContact CD2-CD2 4.19Å; Y472-W777 AromaticContact CD2-CG 3.7Å; Y472-W777 HydrophobicContact CD2-CG 3.7Å; Y472-W777 HydrophobicContact CE1-CB 3.65Å; Y472-W777 HydrophobicContact CE1-CD2 4Å; Y472-W777 AromaticContact CE1-CE3 3.96Å; Y472-W777 HydrophobicContact CE1-CE3 3.96Å; Y472-W777 AromaticContact CE1-CG 3.89Å; Y472-W777 HydrophobicContact CE1-CG 3.89Å; Y472-W777 HydrophobicContact CE2-CB 3.45Å; Y472-W777 VanDerWaalsContact CE2-CB 3.45Å; Y472-W777 HydrophobicContact CE2-CD2 4.48Å; Y472-W777 AromaticContact CE2-CG 3.69Å; Y472-W777 HydrophobicContact CE2-CG 3.69Å; Y472-W777 HydrophobicContact CG-CB 4.35Å; Y472-W777 AromaticContact CG-CD2 3.79Å; Y472-W777 HydrophobicContact CG-CD2 3.79Å; Y472-W777 HydrophobicContact CG-CE3 4.25Å; Y472-W777 AromaticContact CG-CG 3.81Å; Y472-W777 HydrophobicContact CG-CG 3.81Å; Y472-W777 AromaticContact CZ-CG 3.8Å; Y472-W777 WeakPolarHBondContact OH-CB 3.41Å
473	W	95.6	Very high	93.4	Very high	18 Å²	18	45.8 Å²	45.8	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-47.2	-175.9	-75.6	111.9	0	0	0	112	L463 A469 T475 C476 F477 V528 L531 H756 N775 W777 L778	L463-W473 HydrophobicContact CD1-CB 4.13Å; L463-W473 HydrophobicContact CD1-CG 4.35Å; L463-W473 HydrophobicContact CD2-CG 4.46Å; A469-W473 PolarHBondContact O-N 2.89Å; W473-T475 VanDerWaalsContact C-N 3.25Å; W473-T475 PolarHBondContact O-N 3.16Å; W473-C476 WeakPolarHBondContact O-CB 3.24Å; W473-C476 PolarHBondContact O-N 2.92Å; W473-F477 HydrophobicContact CE3-CE2 4.12Å; W473-F477 WeakPolarHBondContact O-CD2 3.26Å; W473-F477 PolarHBondContact O-N 3.03Å; W473-V528 HydrophobicContact CD2-CG2 3.72Å; W473-V528 HydrophobicContact CE3-CG1 4.46Å; W473-V528 HydrophobicContact CE3-CG2 4.27Å; W473-V528 HydrophobicContact CG-CG2 3.92Å; W473-V528 HydrophobicContact CZ2-CG2 4.24Å; W473-V528 HydrophobicContact CZ3-CG1 4.49Å; W473-L531 HydrophobicContact CB-CD1 4.2Å; W473-H756 AromaticContact CH2-CE1 3.48Å; W473-H756 VanDerWaalsContact CH2-CE1 3.48Å; W473-H756 WeakPolarHBondContact CH2-CE1 3.44Å; W473-H756 AromaticContact CH2-NE2 3.83Å; W473-H756 AromaticContact CZ2-CE1 3.48Å; W473-H756 VanDerWaalsContact CZ2-CE1 3.48Å; W473-H756 WeakPolarHBondContact CZ2-CE1 3Å; W473-N775 HydrophobicContact CH2-CB 4.31Å; W473-W777 AromaticContact NE1-CZ3 3.91Å; W473-L778 HydrophobicContact CZ2-CB 4.48Å
474	L	95.9	Very high	93.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-55.6	-43	176.8	-74.1	169.1	0	0	0	111.8	R470 Y472 F477 E478 L513 L516 R517 L531	R470-L474 HydrophobicContact CG-CD1 3.69Å; R470-L474 HydrophobicContact CG-CG 4.46Å; R470-L474 WeakPolarHBondContact O-CB 3.37Å; R470-L474 VanDerWaalsContact O-CG 3.31Å; R470-L474 WeakPolarHBondContact O-CG 3.4Å; R470-L474 PolarHBondContact O-N 3.26Å; Y472-L474 PolarHBondContact O-N 3.14Å; L474-F477 PolarHBondContact O-N 2.81Å; L474-E478 WeakPolarHBondContact O-CB 3.34Å; L474-E478 VanDerWaalsContact O-CG 3.27Å; L474-E478 WeakPolarHBondContact O-CG 3.29Å; L474-E478 PolarHBondContact O-N 3.2Å; L474-L513 HydrophobicContact CD2-CD2 4.03Å; L474-L516 HydrophobicContact CD2-CB 4.23Å; L474-R517 HydrophobicContact CD1-CB 3.85Å; L474-R517 HydrophobicContact CD1-CG 4.15Å; L474-L531 HydrophobicContact CD2-CD1 4.46Å; L474-L531 HydrophobicContact CD2-CD2 3.79Å
475	T	95.6	Very high	93.6	Very high	44 Å²	44	47 Å²	47	27%	0.27	25%	0.253	S	S	.	.	H	α-helix	trans	-66.4	-39	176	-69.6	0	0	0	0	112.2	K471 Y472 W473 F477 E478 E479 R517	K471-T475 WeakPolarHBondContact O-CB 3.28Å; K471-T475 PolarHBondContact O-N 3.34Å; K471-T475 PolarHBondContact O-OG1 2.86Å; Y472-T475 PolarHBondContact O-N 3.13Å; W473-T475 VanDerWaalsContact C-N 3.25Å; W473-T475 PolarHBondContact O-N 3.16Å; T475-F477 VanDerWaalsContact C-N 3.34Å; T475-F477 PolarHBondContact O-N 2.77Å; T475-E478 PolarHBondContact O-N 3.19Å; T475-E479 HydrophobicContact CG2-CG 4.36Å; T475-E479 WeakPolarHBondContact O-CB 3.18Å; T475-E479 WeakPolarHBondContact O-CG 3.4Å; T475-E479 PolarHBondContact O-N 2.7Å; T475-R517 PolarHBondContact OG1-NH2 2.98Å; T475-R517 VanDerWaalsContact OG1-NH2 3.14Å
476	C	93.2	Very high	93.8	Very high	23 Å²	23	50.7 Å²	50.7	16%	0.155	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-42.2	173.2	-69.1	0	0	0	0	112.7	Y472 W473 E479 A480	Y472-C476 VanDerWaalsContact CE1-SG 3.55Å; Y472-C476 PolarHBondContact O-N 2.68Å; Y472-C476 PolarHBondContact O-SG 3.31Å; Y472-C476 VanDerWaalsContact O-SG 3.39Å; W473-C476 WeakPolarHBondContact O-CB 3.24Å; W473-C476 PolarHBondContact O-N 2.92Å; C476-E479 PolarHBondContact O-N 3.33Å; C476-A480 WeakPolarHBondContact O-CB 3.3Å; C476-A480 PolarHBondContact O-N 3.41Å
477	F	94.4	Very high	93.8	Very high	18 Å²	18	50.7 Å²	50.7	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-69.6	-35.8	177.5	-80.3	-82.8	0	0	0	112.8	W473 L474 T475 L481 Y509 L513 V528 L531 L532	W473-F477 HydrophobicContact CE3-CE2 4.12Å; W473-F477 WeakPolarHBondContact O-CD2 3.26Å; W473-F477 PolarHBondContact O-N 3.03Å; L474-F477 PolarHBondContact O-N 2.81Å; T475-F477 VanDerWaalsContact C-N 3.34Å; T475-F477 PolarHBondContact O-N 2.77Å; F477-L481 PolarHBondContact O-N 3.02Å; F477-Y509 WeakPolarHBondContact CD1-OH 3.43Å; F477-L513 HydrophobicContact CB-CD1 4.08Å; F477-L513 HydrophobicContact CB-CD2 4.18Å; F477-V528 HydrophobicContact CE2-CG1 4.5Å; F477-V528 HydrophobicContact CZ-CG1 4.44Å; F477-L531 HydrophobicContact CD2-CB 4.03Å; F477-L531 HydrophobicContact CD2-CD1 3.7Å; F477-L531 HydrophobicContact CD2-CG 4.41Å; F477-L531 HydrophobicContact CE1-CB 4.19Å; F477-L531 HydrophobicContact CE2-CB 3.73Å; F477-L531 HydrophobicContact CE2-CD1 3.7Å; F477-L531 HydrophobicContact CE2-CG 4.35Å; F477-L531 HydrophobicContact CG-CB 4.45Å; F477-L531 HydrophobicContact CZ-CB 3.82Å; F477-L532 HydrophobicContact CE1-CD2 3.59Å; F477-L532 HydrophobicContact CE1-CG 3.99Å; F477-L532 HydrophobicContact CZ-CD2 3.72Å; F477-L532 HydrophobicContact CZ-CG 3.75Å
478	E	94.6	Very high	93.9	Very high	32 Å²	32	48.2 Å²	48.2	15%	0.15	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-46.6	172.9	-75.3	167.3	-178.7	0	0	111.2	L474 T475 L481 W510 L513 Q514 R517	L474-E478 WeakPolarHBondContact O-CB 3.34Å; L474-E478 VanDerWaalsContact O-CG 3.27Å; L474-E478 WeakPolarHBondContact O-CG 3.29Å; L474-E478 PolarHBondContact O-N 3.2Å; T475-E478 PolarHBondContact O-N 3.19Å; E478-L481 VanDerWaalsContact O-CB 3.26Å; E478-L481 WeakPolarHBondContact O-CB 3.32Å; E478-L481 PolarHBondContact O-N 2.91Å; E478-W510 HydrophobicContact CB-CE3 4.47Å; E478-W510 HydrophobicContact CB-CH2 4.35Å; E478-W510 HydrophobicContact CB-CZ3 3.72Å; E478-W510 HydrophobicContact CG-CE3 4.14Å; E478-W510 HydrophobicContact CG-CH2 4.1Å; E478-W510 HydrophobicContact CG-CZ3 3.63Å; E478-L513 HydrophobicContact CG-CB 4.48Å; E478-L513 HydrophobicContact CG-CD1 3.84Å; E478-Q514 PolarHBondContact OE1-NE2 3.43Å; E478-R517 IonicContact OE1-CZ 2.66Å; E478-R517 IonicContact OE1-NE 3.04Å; E478-R517 PolarHBondContact OE1-NE 2.95Å; E478-R517 IonicContact OE1-NH2 3.6Å; E478-R517 PolarHBondContact OE1-NH2 3.22Å; E478-R517 IonicContact OE2-CZ 2.59Å; E478-R517 IonicContact OE2-NH2 2.74Å; E478-R517 PolarHBondContact OE2-NH2 2.91Å
479	E	92.3	Very high	93.9	Very high	108 Å²	108	44.4 Å²	44.4	51%	0.505	23%	0.225	S	C	.	.	H	α-helix	trans	-68.4	-33.4	179.4	-71.7	176.9	-178.9	0	0	113.2	T475 C476 L481 K597	T475-E479 HydrophobicContact CG2-CG 4.36Å; T475-E479 WeakPolarHBondContact O-CB 3.18Å; T475-E479 WeakPolarHBondContact O-CG 3.4Å; T475-E479 PolarHBondContact O-N 2.7Å; C476-E479 PolarHBondContact O-N 3.33Å; E479-L481 VanDerWaalsContact C-N 3.26Å; E479-L481 PolarHBondContact O-N 3.1Å; E479-K597 IonicContact OE2-NZ 2.79Å; E479-K597 PolarHBondContact OE2-NZ 3.43Å
480	A	91	Very high	93.8	Very high	43 Å²	43	47.2 Å²	47.2	36%	0.355	25%	0.248	S	C	.	.	H	α-helix	trans	-76.2	-13.3	179.3	0	0	0	0	0	113.4	C476 D482 G483 V484	C476-A480 WeakPolarHBondContact O-CB 3.3Å; C476-A480 PolarHBondContact O-N 3.41Å; A480-D482 PolarHBondContact O-N 3.08Å; A480-G483 PolarHBondContact O-N 3.36Å; A480-G483 VanDerWaalsContact O-N 3.11Å; A480-V484 PolarHBondContact O-N 3.32Å
481	L	93.7	Very high	93.7	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-45.7	-171	-179.3	50.7	0	0	0	113	F477 E478 E479 G483 V484 V485 F505 R506 Y509 W510	F477-L481 PolarHBondContact O-N 3.02Å; E478-L481 VanDerWaalsContact O-CB 3.26Å; E478-L481 WeakPolarHBondContact O-CB 3.32Å; E478-L481 PolarHBondContact O-N 2.91Å; E479-L481 VanDerWaalsContact C-N 3.26Å; E479-L481 PolarHBondContact O-N 3.1Å; L481-G483 VanDerWaalsContact C-N 3.27Å; L481-G483 PolarHBondContact O-N 2.83Å; L481-V484 PolarHBondContact O-N 2.77Å; L481-V484 VanDerWaalsContact O-N 3.13Å; L481-V485 HydrophobicContact CD1-CG2 4.25Å; L481-V485 WeakPolarHBondContact O-CG2 3.36Å; L481-V485 PolarHBondContact O-N 3.05Å; L481-F505 HydrophobicContact CD1-CE1 3.76Å; L481-F505 HydrophobicContact CD1-CZ 4.02Å; L481-R506 HydrophobicContact CD1-CG 4.43Å; L481-R506 HydrophobicContact CD2-CG 3.73Å; L481-R506 HydrophobicContact CG-CG 3.95Å; L481-Y509 HydrophobicContact CD1-CD1 3.71Å; L481-Y509 HydrophobicContact CD1-CE1 4.44Å; L481-W510 HydrophobicContact CD2-CB 4.18Å; L481-W510 HydrophobicContact CD2-CE3 4.01Å
482	D	92.8	Very high	93.4	Very high	97 Å²	97	40.2 Å²	40.2	52%	0.519	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-34.3	-179.1	-71.3	-17.4	0	0	0	112.3	A480 V485 K486	A480-D482 PolarHBondContact O-N 3.08Å; D482-V485 PolarHBondContact O-N 2.94Å; D482-K486 VanDerWaalsContact O-CG 3.3Å; D482-K486 WeakPolarHBondContact O-CG 3.32Å; D482-K486 PolarHBondContact O-N 3.12Å
483	G	91.1	Very high	93	Very high	26 Å²	26	41 Å²	41	27%	0.268	23%	0.234	S	C	.	.	H	α-helix	trans	-64	-45	173.9	0	0	0	0	0	111.5	A480 L481 V485 K486 R487	A480-G483 PolarHBondContact O-N 3.36Å; A480-G483 VanDerWaalsContact O-N 3.11Å; L481-G483 VanDerWaalsContact C-N 3.27Å; L481-G483 PolarHBondContact O-N 2.83Å; G483-V485 PolarHBondContact O-N 2.94Å; G483-K486 PolarHBondContact O-N 3.37Å; G483-R487 WeakPolarHBondContact O-CG 3.44Å; G483-R487 PolarHBondContact O-N 2.7Å
484	V	92.5	Very high	92.6	Very high	10 Å²	10	47.6 Å²	47.6	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-43.4	177.3	-179	0	0	0	0	111.2	A480 L481 K486 R487 A488 F505 L539	A480-V484 PolarHBondContact O-N 3.32Å; L481-V484 PolarHBondContact O-N 2.77Å; L481-V484 VanDerWaalsContact O-N 3.13Å; V484-K486 PolarHBondContact O-N 3.37Å; V484-R487 PolarHBondContact O-N 3.07Å; V484-A488 WeakPolarHBondContact O-CB 3.43Å; V484-A488 PolarHBondContact O-N 3.27Å; V484-F505 HydrophobicContact CB-CE1 4.37Å; V484-F505 HydrophobicContact CG1-CE1 3.81Å; V484-F505 HydrophobicContact CG1-CZ 3.77Å; V484-L539 HydrophobicContact CG1-CD1 4.15Å; V484-L539 HydrophobicContact CG1-CD2 4.15Å
485	V	95.4	Very high	92.2	Very high	22 Å²	22	49 Å²	49	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-57.8	-47.2	175.8	169.8	0	0	0	0	110.9	L481 D482 G483 R487 A488 V489 A502 F505 R506	L481-V485 HydrophobicContact CD1-CG2 4.25Å; L481-V485 WeakPolarHBondContact O-CG2 3.36Å; L481-V485 PolarHBondContact O-N 3.05Å; D482-V485 PolarHBondContact O-N 2.94Å; G483-V485 PolarHBondContact O-N 2.94Å; V485-R487 VanDerWaalsContact C-N 3.35Å; V485-R487 PolarHBondContact O-N 2.95Å; V485-A488 PolarHBondContact O-N 3.42Å; V485-V489 WeakPolarHBondContact O-CG2 3.26Å; V485-V489 PolarHBondContact O-N 3.31Å; V485-V489 VanDerWaalsContact O-N 3.08Å; V485-A502 HydrophobicContact CG1-CB 4.02Å; V485-F505 HydrophobicContact CG2-CD1 3.92Å; V485-F505 HydrophobicContact CG2-CE1 3.93Å; V485-R506 HydrophobicContact CG2-CB 3.86Å; V485-R506 HydrophobicContact CG2-CG 4.07Å
486	K	93.8	Very high	92	Very high	153 Å²	153	54.1 Å²	54.1	67%	0.665	31%	0.312	S	S	*	.	H	α-helix	trans	-59.7	-43.7	177.5	-73.5	170.8	-175.9	174.6	0	112.1	D482 G483 V484 V489 A490	D482-K486 VanDerWaalsContact O-CG 3.3Å; D482-K486 WeakPolarHBondContact O-CG 3.32Å; D482-K486 PolarHBondContact O-N 3.12Å; G483-K486 PolarHBondContact O-N 3.37Å; V484-K486 PolarHBondContact O-N 3.37Å; K486-V489 PolarHBondContact O-N 2.93Å; K486-A490 WeakPolarHBondContact O-CB 3.42Å; K486-A490 PolarHBondContact O-N 3.35Å
487	R	92.4	Very high	92	Very high	35 Å²	35	55.8 Å²	55.8	13%	0.132	32%	0.319	C	S	.	.	H	α-helix	trans	-66.1	-41.9	177.5	-66.6	-169.9	-142.2	-61.4	-6.4	112.2	G483 V484 V485 V489 A490 S491 P547 Y548 W594 S600 E604	G483-R487 WeakPolarHBondContact O-CG 3.44Å; G483-R487 PolarHBondContact O-N 2.7Å; V484-R487 PolarHBondContact O-N 3.07Å; V485-R487 VanDerWaalsContact C-N 3.35Å; V485-R487 PolarHBondContact O-N 2.95Å; R487-V489 VanDerWaalsContact C-N 3.33Å; R487-V489 PolarHBondContact O-N 3.47Å; R487-A490 PolarHBondContact O-N 3.17Å; R487-S491 PolarHBondContact O-N 3Å; R487-P547 HydrophobicContact CB-CB 4.2Å; R487-Y548 VanDerWaalsContact CD-CZ 3.47Å; R487-Y548 VanDerWaalsContact NE-CE1 3.34Å; R487-Y548 PolarHBondContact NE-OH 3.42Å; R487-W594 VanDerWaalsContact CZ-CE3 3.41Å; R487-W594 VanDerWaalsContact NH1-CE3 3.29Å; R487-S600 PolarHBondContact NH2-OG 3.01Å; R487-E604 IonicContact CZ-OE1 2.97Å; R487-E604 VanDerWaalsContact CZ-OE1 3.28Å; R487-E604 IonicContact NH1-OE1 3.74Å; R487-E604 PolarHBondContact NH1-OE1 3.15Å; R487-E604 IonicContact NH2-OE1 3.62Å; R487-E604 PolarHBondContact NH2-OE1 2.84Å
488	A	93.8	Very high	92	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-56.2	-47.9	176.1	0	0	0	0	0	111	V484 V485 S491 L539 F544	V484-A488 WeakPolarHBondContact O-CB 3.43Å; V484-A488 PolarHBondContact O-N 3.27Å; V485-A488 PolarHBondContact O-N 3.42Å; A488-S491 PolarHBondContact O-N 2.98Å; A488-S491 PolarHBondContact O-OG 2.99Å; A488-L539 HydrophobicContact CB-CD2 4.19Å; A488-F544 HydrophobicContact CB-CB 4.45Å; A488-F544 HydrophobicContact CB-CD1 3.77Å; A488-F544 HydrophobicContact CB-CD2 4.09Å; A488-F544 HydrophobicContact CB-CE1 3.95Å; A488-F544 HydrophobicContact CB-CE2 4.26Å; A488-F544 HydrophobicContact CB-CG 3.84Å; A488-F544 HydrophobicContact CB-CZ 4.19Å; A488-F544 WeakPolarHBondContact O-CD1 3.47Å; A488-F544 WeakPolarHBondContact O-CE1 3.25Å
489	V	94.6	Very high	92	Very high	52 Å²	52	56.7 Å²	56.7	32%	0.315	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-47.2	175.3	177.1	0	0	0	0	111.7	V485 K486 R487 S491 Q492 A502	V485-V489 WeakPolarHBondContact O-CG2 3.26Å; V485-V489 PolarHBondContact O-N 3.31Å; V485-V489 VanDerWaalsContact O-N 3.08Å; K486-V489 PolarHBondContact O-N 2.93Å; R487-V489 VanDerWaalsContact C-N 3.33Å; R487-V489 PolarHBondContact O-N 3.47Å; V489-S491 PolarHBondContact O-N 3.18Å; V489-Q492 CarbonylContact O-C 3.28Å; V489-Q492 PolarHBondContact O-N 3.39Å; V489-Q492 VanDerWaalsContact O-N 3.13Å; V489-A502 HydrophobicContact CG2-CB 3.53Å
490	A	91.9	Very high	92.1	Very high	60 Å²	60	57 Å²	57	50%	0.496	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-24.8	-178.7	0	0	0	0	0	113.9	K486 R487 Q492 K550	K486-A490 WeakPolarHBondContact O-CB 3.42Å; K486-A490 PolarHBondContact O-N 3.35Å; R487-A490 PolarHBondContact O-N 3.17Å; A490-Q492 VanDerWaalsContact C-N 3.26Å; A490-Q492 PolarHBondContact O-N 3.12Å; A490-K550 PolarHBondContact O-NZ 3.43Å; A490-K550 VanDerWaalsContact O-NZ 3.15Å
491	S	91.4	Very high	92.3	Very high	16 Å²	16	55.8 Å²	55.8	11%	0.112	32%	0.323	C	S	.	.	H	α-helix	trans	-67.5	-25.5	176.9	77.1	0	0	0	0	112.9	R487 A488 V489	R487-S491 PolarHBondContact O-N 3Å; A488-S491 PolarHBondContact O-N 2.98Å; A488-S491 PolarHBondContact O-OG 2.99Å; V489-S491 PolarHBondContact O-N 3.18Å
492	Q	90.5	Very high	92.5	Very high	19 Å²	19	55.6 Å²	55.6	9%	0.089	32%	0.322	C	S	.	.			trans	-130.8	64.1	-175.7	-64.5	179.6	14.6	0	0	111.8	V489 A490 D494 S495 A498 N543	V489-Q492 CarbonylContact O-C 3.28Å; V489-Q492 PolarHBondContact O-N 3.39Å; V489-Q492 VanDerWaalsContact O-N 3.13Å; A490-Q492 VanDerWaalsContact C-N 3.26Å; A490-Q492 PolarHBondContact O-N 3.12Å; Q492-D494 PolarHBondContact O-N 2.95Å; Q492-S495 PolarHBondContact O-N 3.45Å; Q492-S495 VanDerWaalsContact O-N 3.13Å; Q492-A498 HydrophobicContact CB-CB 4.43Å; Q492-N543 PolarHBondContact NE2-O 2.89Å
493	P	86.5	Confident	92.6	Very high	80 Å²	80	54.9 Å²	54.9	52%	0.519	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.6	-173.2	30.4	-38.2	0	0	0	113	S495	P493-S495 VanDerWaalsContact C-N 3.32Å
494	D	87.6	Confident	92.8	Very high	155 Å²	155	58.3 Å²	58.3	83%	0.829	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.5	-178.3	-50.2	-55.4	0	0	0	112.6	Q492	Q492-D494 PolarHBondContact O-N 2.95Å
495	S	88.1	Confident	92.9	Very high	31 Å²	31	57.9 Å²	57.9	22%	0.217	32%	0.32	C	S	.	.			trans	-91.5	112.1	-178.7	-155.9	0	0	0	0	110.6	Q492 P493 D497 A498 R501	Q492-S495 PolarHBondContact O-N 3.45Å; Q492-S495 VanDerWaalsContact O-N 3.13Å; P493-S495 VanDerWaalsContact C-N 3.32Å; S495-D497 PolarHBondContact O-N 3.25Å; S495-D497 PolarHBondContact OG-OD1 2.92Å; S495-A498 WeakPolarHBondContact O-CB 2.99Å; S495-A498 PolarHBondContact O-N 3.2Å; S495-R501 PolarHBondContact OG-NH2 3.36Å
496	V	90.6	Very high	93	Very high	152 Å²	152	60.3 Å²	60.3	92%	0.921	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.6	-177.9	-63.8	0	0	0	0	113.9
497	D	93.1	Very high	93.1	Very high	57 Å²	57	57 Å²	57	31%	0.305	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-1	-176.9	73.6	-25.6	0	0	0	113.7	S495 A499 E500 R501	S495-D497 PolarHBondContact O-N 3.25Å; S495-D497 PolarHBondContact OG-OD1 2.92Å; D497-A499 VanDerWaalsContact C-N 3.32Å; D497-A499 PolarHBondContact O-N 3.3Å; D497-E500 PolarHBondContact O-N 3.4Å; D497-E500 VanDerWaalsContact O-N 3.16Å; D497-R501 PolarHBondContact O-N 3.46Å; D497-R501 IonicContact OD1-CZ 3.52Å; D497-R501 IonicContact OD1-NE 2.73Å; D497-R501 PolarHBondContact OD1-NE 3.08Å; D497-R501 IonicContact OD1-NH2 3.95Å; D497-R501 PolarHBondContact OD1-NH2 3.15Å; D497-R501 VanDerWaalsContact OD1-NH2 3.13Å; D497-R501 WeakPolarHBondContact OD2-CD 3.33Å; D497-R501 IonicContact OD2-CZ 3.45Å; D497-R501 IonicContact OD2-NE 3.9Å; D497-R501 PolarHBondContact OD2-NE 3.22Å; D497-R501 IonicContact OD2-NH2 3.4Å
498	A	93.8	Very high	93.1	Very high	2 Å²	2	56.9 Å²	56.9	2%	0.017	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-41	-173.5	0	0	0	0	0	112.3	Q492 S495 E500 R501 A502 F544	Q492-A498 HydrophobicContact CB-CB 4.43Å; S495-A498 WeakPolarHBondContact O-CB 2.99Å; S495-A498 PolarHBondContact O-N 3.2Å; A498-E500 PolarHBondContact O-N 3.43Å; A498-R501 PolarHBondContact O-N 2.99Å; A498-A502 VanDerWaalsContact O-CB 3.25Å; A498-A502 WeakPolarHBondContact O-CB 3.49Å; A498-A502 PolarHBondContact O-N 3.26Å; A498-F544 HydrophobicContact CB-CE1 4.36Å; A498-F544 HydrophobicContact CB-CZ 4.47Å; A498-F544 WeakPolarHBondContact O-CZ 3.42Å
499	A	94.9	Very high	93.2	Very high	67 Å²	67	57 Å²	57	55%	0.554	32%	0.315	S	S	*	.	H	α-helix	trans	-63	-41.7	178.3	0	0	0	0	0	112.2	D497 A502 E503	D497-A499 VanDerWaalsContact C-N 3.32Å; D497-A499 PolarHBondContact O-N 3.3Å; A499-A502 PolarHBondContact O-N 3.02Å; A499-E503 PolarHBondContact O-N 3.12Å; A499-E503 VanDerWaalsContact O-N 3.13Å
500	E	95.6	Very high	93.2	Very high	115 Å²	115	59 Å²	59	54%	0.537	32%	0.317	S	S	.	.	H	α-helix	trans	-67	-45.3	178.2	-170.4	-165.7	145.8	0	0	111.4	D497 A498 A502 E503 K504	D497-E500 PolarHBondContact O-N 3.4Å; D497-E500 VanDerWaalsContact O-N 3.16Å; A498-E500 PolarHBondContact O-N 3.43Å; E500-A502 VanDerWaalsContact C-N 3.32Å; E500-A502 PolarHBondContact O-N 3.34Å; E500-E503 PolarHBondContact O-N 2.98Å; E500-K504 PolarHBondContact O-N 2.9Å; E500-K504 VanDerWaalsContact O-N 3.08Å; E500-K504 WeakPolarHBondContact OE1-CE 3.42Å; E500-K504 IonicContact OE1-NZ 3.89Å; E500-K504 PolarHBondContact OE1-NZ 3.37Å
501	R	95	Very high	93.2	Very high	18 Å²	18	60 Å²	60	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-39.7	176.6	-75.2	-166.5	-71.4	113.3	2	112.1	S495 D497 A498 E503 K504 F505 F542 N543 F544	S495-R501 PolarHBondContact OG-NH2 3.36Å; D497-R501 PolarHBondContact O-N 3.46Å; D497-R501 IonicContact OD1-CZ 3.52Å; D497-R501 IonicContact OD1-NE 2.73Å; D497-R501 PolarHBondContact OD1-NE 3.08Å; D497-R501 IonicContact OD1-NH2 3.95Å; D497-R501 PolarHBondContact OD1-NH2 3.15Å; D497-R501 VanDerWaalsContact OD1-NH2 3.13Å; D497-R501 WeakPolarHBondContact OD2-CD 3.33Å; D497-R501 IonicContact OD2-CZ 3.45Å; D497-R501 IonicContact OD2-NE 3.9Å; D497-R501 PolarHBondContact OD2-NE 3.22Å; D497-R501 IonicContact OD2-NH2 3.4Å; A498-R501 PolarHBondContact O-N 2.99Å; R501-E503 VanDerWaalsContact C-N 3.28Å; R501-E503 PolarHBondContact O-N 3.45Å; R501-K504 PolarHBondContact O-N 3.46Å; R501-F505 PolarHBondContact O-N 3.45Å; R501-F542 HydrophobicContact CB-CB 4.37Å; R501-F542 WeakPolarHBondContact CD-O 3.32Å; R501-F542 PolarHBondContact NH1-O 3.14Å; R501-N543 PolarHBondContact NH1-O 2.89Å; R501-F544 HydrophobicContact CB-CE2 3.76Å; R501-F544 HydrophobicContact CB-CZ 3.94Å
502	A	96.3	Very high	93.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-33.7	178.4	0	0	0	0	0	111.9	V485 V489 A498 A499 E500 F505 R506 F544	V485-A502 HydrophobicContact CG1-CB 4.02Å; V489-A502 HydrophobicContact CG2-CB 3.53Å; A498-A502 VanDerWaalsContact O-CB 3.25Å; A498-A502 WeakPolarHBondContact O-CB 3.49Å; A498-A502 PolarHBondContact O-N 3.26Å; A499-A502 PolarHBondContact O-N 3.02Å; E500-A502 VanDerWaalsContact C-N 3.32Å; E500-A502 PolarHBondContact O-N 3.34Å; A502-F505 WeakPolarHBondContact O-CB 3.25Å; A502-F505 PolarHBondContact O-N 2.94Å; A502-R506 PolarHBondContact O-N 2.83Å; A502-F544 HydrophobicContact CB-CE2 4.09Å; A502-F544 HydrophobicContact CB-CZ 3.95Å
503	E	96.3	Very high	93.4	Very high	82 Å²	82	59.5 Å²	59.5	38%	0.383	31%	0.309	S	S	.	.	H	α-helix	trans	-69.6	-39.9	173.8	-178.1	55.2	-157.4	0	0	112.3	A499 E500 R501 F505 R506 Q507	A499-E503 PolarHBondContact O-N 3.12Å; A499-E503 VanDerWaalsContact O-N 3.13Å; E500-E503 PolarHBondContact O-N 2.98Å; R501-E503 VanDerWaalsContact C-N 3.28Å; R501-E503 PolarHBondContact O-N 3.45Å; E503-F505 VanDerWaalsContact C-N 3.34Å; E503-R506 VanDerWaalsContact CD-NE 3.3Å; E503-R506 WeakPolarHBondContact O-CB 3.48Å; E503-R506 PolarHBondContact O-N 3.33Å; E503-R506 IonicContact OE1-CZ 2.6Å; E503-R506 VanDerWaalsContact OE1-CZ 3.25Å; E503-R506 IonicContact OE1-NE 3.83Å; E503-R506 PolarHBondContact OE1-NE 2.9Å; E503-R506 VanDerWaalsContact OE1-NE 3.11Å; E503-R506 IonicContact OE1-NH2 2.81Å; E503-R506 PolarHBondContact OE1-NH2 2.91Å; E503-R506 IonicContact OE2-CZ 2.72Å; E503-R506 IonicContact OE2-NE 2.84Å; E503-R506 PolarHBondContact OE2-NE 3.01Å; E503-R506 IonicContact OE2-NH2 3.94Å; E503-Q507 PolarHBondContact O-N 3.19Å
504	K	94.5	Very high	93.7	Very high	99 Å²	99	58 Å²	58	43%	0.43	30%	0.296	S	S	.	.	H	α-helix	trans	-63.1	-41.1	172.3	-66.6	176.8	-175.8	168.3	0	111.7	E500 R501 Q507 K508 F542	E500-K504 PolarHBondContact O-N 2.9Å; E500-K504 VanDerWaalsContact O-N 3.08Å; E500-K504 WeakPolarHBondContact OE1-CE 3.42Å; E500-K504 IonicContact OE1-NZ 3.89Å; E500-K504 PolarHBondContact OE1-NZ 3.37Å; R501-K504 PolarHBondContact O-N 3.46Å; K504-Q507 PolarHBondContact O-N 3.27Å; K504-K508 WeakPolarHBondContact O-CB 3.48Å; K504-K508 PolarHBondContact O-N 3.32Å; K504-F542 HydrophobicContact CB-CD1 3.78Å; K504-F542 HydrophobicContact CB-CE1 3.4Å; K504-F542 HydrophobicContact CB-CE2 4.33Å; K504-F542 HydrophobicContact CB-CG 4.4Å; K504-F542 HydrophobicContact CB-CZ 3.7Å; K504-F542 HydrophobicContact CD-CD1 4.5Å; K504-F542 HydrophobicContact CD-CE1 4.17Å; K504-F542 HydrophobicContact CG-CE1 4.37Å; K504-F542 WeakPolarHBondContact O-CE2 3.45Å
505	F	95.6	Very high	93.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-55.5	-51.6	170.4	158.4	-104	0	0	0	111.4	L481 V484 V485 R501 A502 E503 Q507 K508 Y509 R535 C538 L539 F542	L481-F505 HydrophobicContact CD1-CE1 3.76Å; L481-F505 HydrophobicContact CD1-CZ 4.02Å; V484-F505 HydrophobicContact CB-CE1 4.37Å; V484-F505 HydrophobicContact CG1-CE1 3.81Å; V484-F505 HydrophobicContact CG1-CZ 3.77Å; V485-F505 HydrophobicContact CG2-CD1 3.92Å; V485-F505 HydrophobicContact CG2-CE1 3.93Å; R501-F505 PolarHBondContact O-N 3.45Å; A502-F505 WeakPolarHBondContact O-CB 3.25Å; A502-F505 PolarHBondContact O-N 2.94Å; E503-F505 VanDerWaalsContact C-N 3.34Å; F505-Q507 VanDerWaalsContact C-N 3.33Å; F505-Q507 PolarHBondContact O-N 2.89Å; F505-K508 PolarHBondContact O-N 2.94Å; F505-Y509 HydrophobicContact CE2-CG 4.25Å; F505-Y509 HydrophobicContact CZ-CD1 4.35Å; F505-Y509 HydrophobicContact CZ-CG 4.44Å; F505-Y509 WeakPolarHBondContact O-CB 3.41Å; F505-Y509 PolarHBondContact O-N 3.04Å; F505-R535 HydrophobicContact CE2-CG 4.37Å; F505-R535 HydrophobicContact CZ-CG 4.19Å; F505-C538 HydrophobicContact CD2-CB 3.77Å; F505-C538 HydrophobicContact CE2-CB 3.82Å; F505-L539 HydrophobicContact CD1-CD2 4.11Å; F505-L539 HydrophobicContact CD2-CD2 3.87Å; F505-L539 HydrophobicContact CD2-CG 4.01Å; F505-L539 HydrophobicContact CE1-CD2 3.95Å; F505-L539 HydrophobicContact CE2-CD2 3.71Å; F505-L539 HydrophobicContact CE2-CG 3.58Å; F505-L539 HydrophobicContact CG-CD2 4.08Å; F505-L539 HydrophobicContact CZ-CD2 3.76Å; F505-L539 HydrophobicContact CZ-CG 3.93Å; F505-F542 VanDerWaalsContact CA-CE2 3.47Å; F505-F542 HydrophobicContact CB-CB 4.32Å; F505-F542 HydrophobicContact CB-CD2 3.61Å; F505-F542 HydrophobicContact CB-CE2 4.27Å; F505-F542 HydrophobicContact CB-CG 4.22Å
506	R	96.9	Very high	94	Very high	73 Å²	73	51.4 Å²	51.4	28%	0.275	26%	0.259	S	S	.	.	H	α-helix	trans	-52.6	-51.8	179.3	-170.1	-175.8	72.8	81.6	3.5	111.1	L481 V485 A502 E503 W510	L481-R506 HydrophobicContact CD1-CG 4.43Å; L481-R506 HydrophobicContact CD2-CG 3.73Å; L481-R506 HydrophobicContact CG-CG 3.95Å; V485-R506 HydrophobicContact CG2-CB 3.86Å; V485-R506 HydrophobicContact CG2-CG 4.07Å; A502-R506 PolarHBondContact O-N 2.83Å; E503-R506 VanDerWaalsContact CD-NE 3.3Å; E503-R506 WeakPolarHBondContact O-CB 3.48Å; E503-R506 PolarHBondContact O-N 3.33Å; E503-R506 IonicContact OE1-CZ 2.6Å; E503-R506 VanDerWaalsContact OE1-CZ 3.25Å; E503-R506 IonicContact OE1-NE 3.83Å; E503-R506 PolarHBondContact OE1-NE 2.9Å; E503-R506 VanDerWaalsContact OE1-NE 3.11Å; E503-R506 IonicContact OE1-NH2 2.81Å; E503-R506 PolarHBondContact OE1-NH2 2.91Å; E503-R506 IonicContact OE2-CZ 2.72Å; E503-R506 IonicContact OE2-NE 2.84Å; E503-R506 PolarHBondContact OE2-NE 3.01Å; E503-R506 IonicContact OE2-NH2 3.94Å; R506-W510 WeakPolarHBondContact O-CB 2.96Å; R506-W510 PolarHBondContact O-N 3.19Å
507	Q	95	Very high	94	Very high	85 Å²	85	47.8 Å²	47.8	40%	0.397	23%	0.229	S	C	.	.	H	α-helix	trans	-64.4	-43.9	-178.5	-173.3	60.9	61.9	0	0	112.3	E503 K504 F505 N511	E503-Q507 PolarHBondContact O-N 3.19Å; K504-Q507 PolarHBondContact O-N 3.27Å; F505-Q507 VanDerWaalsContact C-N 3.33Å; F505-Q507 PolarHBondContact O-N 2.89Å; Q507-N511 PolarHBondContact NE2-ND2 3.03Å; Q507-N511 PolarHBondContact NE2-OD1 3.45Å; Q507-N511 WeakPolarHBondContact O-CB 3.04Å; Q507-N511 PolarHBondContact O-N 2.83Å; Q507-N511 VanDerWaalsContact O-N 3.08Å; Q507-N511 PolarHBondContact O-ND2 3.46Å; Q507-N511 PolarHBondContact O-OD1 3.33Å
508	K	92.8	Very high	93.8	Very high	31 Å²	31	52.2 Å²	52.2	14%	0.135	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-48.5	-178.8	-171.9	167.3	-177.1	167.9	0	111.5	R54 A409 K504 F505 N511 K512 E541 F542	R54-K508 VanDerWaalsContact NH1-NZ 3.19Å; A409-K508 WeakPolarHBondContact O-CE 3.47Å; A409-K508 PolarHBondContact O-NZ 2.87Å; A409-K508 VanDerWaalsContact O-NZ 3.13Å; K504-K508 WeakPolarHBondContact O-CB 3.48Å; K504-K508 PolarHBondContact O-N 3.32Å; F505-K508 PolarHBondContact O-N 2.94Å; K508-N511 PolarHBondContact O-N 3.04Å; K508-K512 WeakPolarHBondContact O-CG 3.38Å; K508-K512 PolarHBondContact O-N 3.14Å; K508-K512 VanDerWaalsContact O-N 3.14Å; K508-E541 HydrophobicContact CD-CG 4.41Å; K508-E541 IonicContact NZ-OE1 2.72Å; K508-E541 PolarHBondContact NZ-OE1 3.34Å; K508-F542 HydrophobicContact CB-CE2 3.74Å; K508-F542 HydrophobicContact CB-CZ 4.11Å; K508-F542 HydrophobicContact CD-CE2 3.57Å; K508-F542 HydrophobicContact CD-CZ 3.74Å; K508-F542 HydrophobicContact CG-CE2 4.24Å
509	Y	95.7	Very high	93.5	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-41.6	-179.8	-175.1	-119.6	0	0	0	111.7	F477 L481 F505 N511 K512 L513 L531 T534 R535 C538	F477-Y509 WeakPolarHBondContact CD1-OH 3.43Å; L481-Y509 HydrophobicContact CD1-CD1 3.71Å; L481-Y509 HydrophobicContact CD1-CE1 4.44Å; F505-Y509 HydrophobicContact CE2-CG 4.25Å; F505-Y509 HydrophobicContact CZ-CD1 4.35Å; F505-Y509 HydrophobicContact CZ-CG 4.44Å; F505-Y509 WeakPolarHBondContact O-CB 3.41Å; F505-Y509 PolarHBondContact O-N 3.04Å; Y509-N511 VanDerWaalsContact C-N 3.35Å; Y509-N511 PolarHBondContact O-N 2.95Å; Y509-K512 WeakPolarHBondContact O-CB 3.35Å; Y509-K512 PolarHBondContact O-N 3.47Å; Y509-K512 VanDerWaalsContact O-N 3.12Å; Y509-L513 HydrophobicContact CD1-CD1 4.1Å; Y509-L513 HydrophobicContact CD1-CG 4.49Å; Y509-L513 HydrophobicContact CE1-CD1 3.71Å; Y509-L513 HydrophobicContact CE1-CD2 4.39Å; Y509-L513 HydrophobicContact CE1-CG 4.17Å; Y509-L513 HydrophobicContact CE2-CD2 4.19Å; Y509-L513 HydrophobicContact CE2-CG 4.37Å; Y509-L513 WeakPolarHBondContact O-CG 3.29Å; Y509-L513 PolarHBondContact O-N 3.24Å; Y509-L531 PolarHBondContact OH-O 2.85Å; Y509-T534 HydrophobicContact CD2-CG2 4.06Å; Y509-T534 HydrophobicContact CE2-CG2 3.95Å; Y509-R535 HydrophobicContact CD2-CB 4.28Å; Y509-R535 HydrophobicContact CE1-CB 4.29Å; Y509-R535 HydrophobicContact CE1-CG 4.21Å; Y509-R535 VanDerWaalsContact CE2-CA 3.43Å; Y509-R535 HydrophobicContact CE2-CB 3.64Å; Y509-R535 HydrophobicContact CE2-CG 4.33Å; Y509-C538 HydrophobicContact CD2-CB 4.4Å
510	W	95.4	Very high	93.4	Very high	95 Å²	95	50.9 Å²	50.9	36%	0.36	23%	0.231	S	C	.	.	H	α-helix	trans	-55.8	-47.4	173.3	179.3	-90.3	0	0	0	112.4	E478 L481 R506 K512 L513 Q514	E478-W510 HydrophobicContact CB-CE3 4.47Å; E478-W510 HydrophobicContact CB-CH2 4.35Å; E478-W510 HydrophobicContact CB-CZ3 3.72Å; E478-W510 HydrophobicContact CG-CE3 4.14Å; E478-W510 HydrophobicContact CG-CH2 4.1Å; E478-W510 HydrophobicContact CG-CZ3 3.63Å; L481-W510 HydrophobicContact CD2-CB 4.18Å; L481-W510 HydrophobicContact CD2-CE3 4.01Å; R506-W510 WeakPolarHBondContact O-CB 2.96Å; R506-W510 PolarHBondContact O-N 3.19Å; W510-K512 VanDerWaalsContact C-N 3.27Å; W510-K512 PolarHBondContact O-N 3.23Å; W510-L513 PolarHBondContact O-N 2.92Å; W510-Q514 WeakPolarHBondContact O-CG 3.08Å; W510-Q514 PolarHBondContact O-N 3.43Å
511	N	91.1	Very high	93.1	Very high	81 Å²	81	46.6 Å²	46.6	43%	0.433	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-36.1	178.4	-71.1	-13.4	0	0	0	112.2	Q507 K508 Y509 Q514 T515	Q507-N511 PolarHBondContact NE2-ND2 3.03Å; Q507-N511 PolarHBondContact NE2-OD1 3.45Å; Q507-N511 WeakPolarHBondContact O-CB 3.04Å; Q507-N511 PolarHBondContact O-N 2.83Å; Q507-N511 VanDerWaalsContact O-N 3.08Å; Q507-N511 PolarHBondContact O-ND2 3.46Å; Q507-N511 PolarHBondContact O-OD1 3.33Å; K508-N511 PolarHBondContact O-N 3.04Å; Y509-N511 VanDerWaalsContact C-N 3.35Å; Y509-N511 PolarHBondContact O-N 2.95Å; N511-Q514 PolarHBondContact O-N 2.83Å; N511-T515 PolarHBondContact O-N 2.98Å; N511-T515 PolarHBondContact O-OG1 3.44Å
512	K	92	Very high	92.8	Very high	24 Å²	24	45.7 Å²	45.7	10%	0.104	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-43.3	174.7	-68.9	-74.2	174.1	163.4	0	111.8	Y408 S411 K508 Y509 W510 Q514 T515 L516 Y523 T534	Y408-K512 VanDerWaalsContact O-CE 3.23Å; Y408-K512 WeakPolarHBondContact O-CE 3.48Å; Y408-K512 PolarHBondContact O-NZ 2.85Å; S411-K512 PolarHBondContact O-NZ 3.42Å; K508-K512 WeakPolarHBondContact O-CG 3.38Å; K508-K512 PolarHBondContact O-N 3.14Å; K508-K512 VanDerWaalsContact O-N 3.14Å; Y509-K512 WeakPolarHBondContact O-CB 3.35Å; Y509-K512 PolarHBondContact O-N 3.47Å; Y509-K512 VanDerWaalsContact O-N 3.12Å; W510-K512 VanDerWaalsContact C-N 3.27Å; W510-K512 PolarHBondContact O-N 3.23Å; K512-Q514 VanDerWaalsContact C-N 3.32Å; K512-Q514 PolarHBondContact O-N 2.9Å; K512-T515 WeakPolarHBondContact O-CB 3.21Å; K512-T515 PolarHBondContact O-N 3.19Å; K512-T515 VanDerWaalsContact O-N 3.17Å; K512-L516 WeakPolarHBondContact O-CG 3.41Å; K512-L516 PolarHBondContact O-N 3.38Å; K512-Y523 PolarHBondContact NZ-OH 3.18Å; K512-T534 HydrophobicContact CB-CG2 3.99Å; K512-T534 HydrophobicContact CG-CG2 4.32Å
513	L	94.8	Very high	92.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-41.7	174.3	-64.8	178.8	0	0	0	111.9	L474 F477 E478 Y509 W510 T515 L516 R517 L531	L474-L513 HydrophobicContact CD2-CD2 4.03Å; F477-L513 HydrophobicContact CB-CD1 4.08Å; F477-L513 HydrophobicContact CB-CD2 4.18Å; E478-L513 HydrophobicContact CG-CB 4.48Å; E478-L513 HydrophobicContact CG-CD1 3.84Å; Y509-L513 HydrophobicContact CD1-CD1 4.1Å; Y509-L513 HydrophobicContact CD1-CG 4.49Å; Y509-L513 HydrophobicContact CE1-CD1 3.71Å; Y509-L513 HydrophobicContact CE1-CD2 4.39Å; Y509-L513 HydrophobicContact CE1-CG 4.17Å; Y509-L513 HydrophobicContact CE2-CD2 4.19Å; Y509-L513 HydrophobicContact CE2-CG 4.37Å; Y509-L513 WeakPolarHBondContact O-CG 3.29Å; Y509-L513 PolarHBondContact O-N 3.24Å; W510-L513 PolarHBondContact O-N 2.92Å; L513-T515 VanDerWaalsContact C-N 3.34Å; L513-T515 PolarHBondContact O-N 2.9Å; L513-L516 PolarHBondContact O-N 3.06Å; L513-R517 WeakPolarHBondContact O-CB 3.47Å; L513-R517 PolarHBondContact O-N 2.97Å; L513-L531 HydrophobicContact CD2-CD2 3.75Å
514	Q	92.9	Very high	92.4	Very high	50 Å²	50	42.5 Å²	42.5	23%	0.234	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-37.4	175.7	-62.9	-43.8	-54.5	0	0	112.5	E478 W510 N511 K512 R517 Q518	E478-Q514 PolarHBondContact OE1-NE2 3.43Å; W510-Q514 WeakPolarHBondContact O-CG 3.08Å; W510-Q514 PolarHBondContact O-N 3.43Å; N511-Q514 PolarHBondContact O-N 2.83Å; K512-Q514 VanDerWaalsContact C-N 3.32Å; K512-Q514 PolarHBondContact O-N 2.9Å; Q514-R517 WeakPolarHBondContact O-CB 3.46Å; Q514-R517 PolarHBondContact O-N 3.25Å; Q514-Q518 WeakPolarHBondContact O-CG 3.39Å; Q514-Q518 PolarHBondContact O-N 2.82Å
515	T	89.6	Confident	92.3	Very high	42 Å²	42	38.6 Å²	38.6	26%	0.258	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-49.8	174.6	-56.3	0	0	0	0	110.3	N511 K512 L513 R517 Q518 Q519	N511-T515 PolarHBondContact O-N 2.98Å; N511-T515 PolarHBondContact O-OG1 3.44Å; K512-T515 WeakPolarHBondContact O-CB 3.21Å; K512-T515 PolarHBondContact O-N 3.19Å; K512-T515 VanDerWaalsContact O-N 3.17Å; L513-T515 VanDerWaalsContact C-N 3.34Å; L513-T515 PolarHBondContact O-N 2.9Å; T515-R517 VanDerWaalsContact C-N 3.26Å; T515-R517 PolarHBondContact O-N 3.06Å; T515-Q518 PolarHBondContact O-N 2.8Å; T515-Q518 VanDerWaalsContact O-N 3.07Å; T515-Q519 PolarHBondContact O-N 3.04Å
516	L	91.9	Very high	92.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-27.9	178.9	-71.6	172.9	0	0	0	113.4	L474 K512 L513 Q518 Q519 P520 Y523 L526 L531	L474-L516 HydrophobicContact CD2-CB 4.23Å; K512-L516 WeakPolarHBondContact O-CG 3.41Å; K512-L516 PolarHBondContact O-N 3.38Å; L513-L516 PolarHBondContact O-N 3.06Å; L516-Q518 VanDerWaalsContact C-N 3.33Å; L516-Q519 CarbonylContact O-C 3.59Å; L516-P520 VanDerWaalsContact O-CA 3.31Å; L516-P520 WeakPolarHBondContact O-CA 3.42Å; L516-Y523 HydrophobicContact CD2-CD2 3.68Å; L516-Y523 HydrophobicContact CD2-CE2 4.15Å; L516-Y523 HydrophobicContact CG-CD2 4.48Å; L516-L526 HydrophobicContact CB-CD1 4.33Å; L516-L526 HydrophobicContact CD1-CD1 3.89Å; L516-L526 HydrophobicContact CD2-CD1 3.89Å; L516-L526 HydrophobicContact CG-CD1 4.25Å; L516-L531 HydrophobicContact CD1-CD2 3.68Å
517	R	91.3	Very high	92.2	Very high	77 Å²	77	35.3 Å²	35.3	29%	0.291	16%	0.164	S	C	.	.	H	α-helix	trans	-65.4	-37.1	172.8	-170.4	176.3	-76.3	-85.4	5.7	112	L474 T475 E478 L513 Q514 T515	L474-R517 HydrophobicContact CD1-CB 3.85Å; L474-R517 HydrophobicContact CD1-CG 4.15Å; T475-R517 PolarHBondContact OG1-NH2 2.98Å; T475-R517 VanDerWaalsContact OG1-NH2 3.14Å; E478-R517 IonicContact OE1-CZ 2.66Å; E478-R517 IonicContact OE1-NE 3.04Å; E478-R517 PolarHBondContact OE1-NE 2.95Å; E478-R517 IonicContact OE1-NH2 3.6Å; E478-R517 PolarHBondContact OE1-NH2 3.22Å; E478-R517 IonicContact OE2-CZ 2.59Å; E478-R517 IonicContact OE2-NH2 2.74Å; E478-R517 PolarHBondContact OE2-NH2 2.91Å; L513-R517 WeakPolarHBondContact O-CB 3.47Å; L513-R517 PolarHBondContact O-N 2.97Å; Q514-R517 WeakPolarHBondContact O-CB 3.46Å; Q514-R517 PolarHBondContact O-N 3.25Å; T515-R517 VanDerWaalsContact C-N 3.26Å; T515-R517 PolarHBondContact O-N 3.06Å
518	Q	87.8	Confident	92.2	Very high	149 Å²	149	31.7 Å²	31.7	70%	0.696	15%	0.148	S	C	*	.	H	α-helix	trans	-89.5	-35.2	-179.1	-64.6	176.8	12.2	0	0	112.4	Q514 T515 L516	Q514-Q518 WeakPolarHBondContact O-CG 3.39Å; Q514-Q518 PolarHBondContact O-N 2.82Å; T515-Q518 PolarHBondContact O-N 2.8Å; T515-Q518 VanDerWaalsContact O-N 3.07Å; L516-Q518 VanDerWaalsContact C-N 3.33Å
519	Q	88.7	Confident	92.3	Very high	27 Å²	27	31 Å²	31	13%	0.126	14%	0.144	C	C	.	.			trans	-134.5	77.1	-175	-65.3	-178.4	-16.3	0	0	109.5	M415 S416 T515 L516 F521 A522	M415-Q519 PolarHBondContact SD-OE1 2.85Å; S416-Q519 PolarHBondContact O-NE2 3.45Å; T515-Q519 PolarHBondContact O-N 3.04Å; L516-Q519 CarbonylContact O-C 3.59Å; Q519-F521 HydrophobicContact CB-CE1 4.33Å; Q519-F521 HydrophobicContact CB-CE2 4.22Å; Q519-F521 HydrophobicContact CB-CZ 3.92Å; Q519-F521 HydrophobicContact CG-CE2 4.48Å; Q519-F521 HydrophobicContact CG-CZ 3.95Å; Q519-F521 PolarHBondContact O-N 3.35Å; Q519-A522 HydrophobicContact CB-CB 4.26Å; Q519-A522 WeakPolarHBondContact O-CB 2.82Å; Q519-A522 PolarHBondContact O-N 2.71Å; Q519-A522 VanDerWaalsContact O-N 3.13Å
520	P	91.5	Very high	92.2	Very high	14 Å²	14	31.4 Å²	31.4	9%	0.091	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-61.3	-27.8	-177.8	22.4	-32.2	0	0	0	112.9	T464 L516 A522 L526	T464-P520 HydrophobicContact CG2-CB 4.36Å; T464-P520 HydrophobicContact CG2-CG 4.31Å; L516-P520 VanDerWaalsContact O-CA 3.31Å; L516-P520 WeakPolarHBondContact O-CA 3.42Å; P520-A522 VanDerWaalsContact C-N 3.28Å; P520-A522 PolarHBondContact O-N 3.18Å; P520-L526 HydrophobicContact CB-CB 4.15Å; P520-L526 HydrophobicContact CB-CD2 3.82Å; P520-L526 WeakPolarHBondContact O-CB 3.48Å
521	F	90	Very high	92.2	Very high	25 Å²	25	26.9 Å²	26.9	11%	0.11	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-78.2	-1.3	179.2	55.3	-97.1	0	0	0	114.7	F202 F204 L414 Q519 Y523 G524	F202-F521 HydrophobicContact CB-CB 4.03Å; F202-F521 HydrophobicContact CB-CG 4.47Å; F202-F521 HydrophobicContact CD2-CB 4.27Å; F202-F521 AromaticContact CD2-CD1 3.73Å; F202-F521 HydrophobicContact CD2-CD1 3.73Å; F202-F521 HydrophobicContact CD2-CD2 4.25Å; F202-F521 HydrophobicContact CD2-CE1 4.18Å; F202-F521 AromaticContact CD2-CG 3.8Å; F202-F521 HydrophobicContact CD2-CG 3.8Å; F202-F521 HydrophobicContact CE2-CD1 4.01Å; F202-F521 HydrophobicContact CE2-CD2 4.25Å; F202-F521 AromaticContact CE2-CE1 3.99Å; F202-F521 HydrophobicContact CE2-CE1 3.99Å; F202-F521 HydrophobicContact CE2-CE2 4.24Å; F202-F521 HydrophobicContact CE2-CG 4.16Å; F202-F521 HydrophobicContact CE2-CZ 4.13Å; F202-F521 HydrophobicContact CG-CB 4.13Å; F202-F521 HydrophobicContact CG-CD1 4.43Å; F202-F521 HydrophobicContact CG-CD2 4.42Å; F202-F521 HydrophobicContact CG-CG 4.05Å; F202-F521 HydrophobicContact CZ-CD2 4.39Å; F202-F521 HydrophobicContact CZ-CE2 4.31Å; F204-F521 HydrophobicContact CE2-CB 3.67Å; F204-F521 HydrophobicContact CZ-CB 3.87Å; F204-F521 WeakPolarHBondContact CZ-O 3.42Å; L414-F521 HydrophobicContact CD2-CD2 4.41Å; Q519-F521 HydrophobicContact CB-CE1 4.33Å; Q519-F521 HydrophobicContact CB-CE2 4.22Å; Q519-F521 HydrophobicContact CB-CZ 3.92Å; Q519-F521 HydrophobicContact CG-CE2 4.48Å; Q519-F521 HydrophobicContact CG-CZ 3.95Å; Q519-F521 PolarHBondContact O-N 3.35Å; F521-Y523 PolarHBondContact O-N 3.44Å; F521-Y523 VanDerWaalsContact O-N 3.16Å; F521-G524 CarbonylContact C-O 3.52Å; F521-G524 WeakPolarHBondContact CA-O 3.2Å; F521-G524 PolarHBondContact O-N 3.12Å
522	A	89.6	Confident	92.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-58.1	-34.5	-169.7	0	0	0	0	0	113.2	R379 G413 L414 Q519 P520	R379-A522 PolarHBondContact NH2-O 3.31Å; G413-A522 CarbonylContact C-O 3.59Å; G413-A522 WeakPolarHBondContact CA-O 3.41Å; L414-A522 PolarHBondContact N-O 3.12Å; Q519-A522 HydrophobicContact CB-CB 4.26Å; Q519-A522 WeakPolarHBondContact O-CB 2.82Å; Q519-A522 PolarHBondContact O-N 2.71Å; Q519-A522 VanDerWaalsContact O-N 3.13Å; P520-A522 VanDerWaalsContact C-N 3.28Å; P520-A522 PolarHBondContact O-N 3.18Å
523	Y	91.5	Very high	92.4	Very high	15 Å²	15	23.7 Å²	23.7	6%	0.059	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-115.8	28.9	-178.8	-54.7	-86.6	0	0	0	112.8	R379 E406 Y408 S411 S412 K512 L516 F521	R379-Y523 PolarHBondContact NH1-O 3.21Å; R379-Y523 VanDerWaalsContact NH1-O 3.1Å; E406-Y523 WeakPolarHBondContact OE1-CD1 3.21Å; Y408-Y523 AromaticContact CD1-CD1 3.72Å; Y408-Y523 HydrophobicContact CD1-CD1 3.72Å; Y408-Y523 HydrophobicContact CD1-CG 4.07Å; Y408-Y523 HydrophobicContact CE1-CD1 4.38Å; S411-Y523 PolarHBondContact O-OH 3.39Å; S411-Y523 VanDerWaalsContact O-OH 3.12Å; S412-Y523 PolarHBondContact O-OH 2.88Å; S412-Y523 VanDerWaalsContact O-OH 3.08Å; K512-Y523 PolarHBondContact NZ-OH 3.18Å; L516-Y523 HydrophobicContact CD2-CD2 3.68Å; L516-Y523 HydrophobicContact CD2-CE2 4.15Å; L516-Y523 HydrophobicContact CG-CD2 4.48Å; F521-Y523 PolarHBondContact O-N 3.44Å; F521-Y523 VanDerWaalsContact O-N 3.16Å
524	G	92.2	Very high	92.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	94.6	-151.4	-170.3	0	0	0	0	0	111.5	F204 F521 L526	F204-G524 VanDerWaalsContact CD2-C 3.43Å; F204-G524 WeakPolarHBondContact CE2-O 3.25Å; F521-G524 CarbonylContact C-O 3.52Å; F521-G524 WeakPolarHBondContact CA-O 3.2Å; F521-G524 PolarHBondContact O-N 3.12Å; G524-L526 PolarHBondContact O-N 2.79Å
525	T	92.6	Very high	92.5	Very high	17 Å²	17	22 Å²	22	10%	0.104	11%	0.106	C	C	.	.	S	Bend	trans	-65.1	124.8	172.7	-66.4	0	0	0	0	110.3	D462 T527	D462-T525 HydrophobicContact CB-CG2 4.21Å; D462-T525 WeakPolarHBondContact OD1-CG2 3.42Å; D462-T525 WeakPolarHBondContact OD2-CG2 3.46Å; T525-T527 HydrophobicContact CG2-CG2 3.72Å; T525-T527 PolarHBondContact O-N 3.1Å
526	L	95	Very high	92.6	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.016	10%	0.095	C	C	.	.			trans	-74.4	122.9	173.3	-177.4	61.8	0	0	0	109	L463 T464 R470 L516 P520 G524 L531	L463-L526 WeakPolarHBondContact CA-O 3.31Å; L463-L526 HydrophobicContact CB-CB 4.12Å; L463-L526 HydrophobicContact CB-CD2 4Å; L463-L526 HydrophobicContact CB-CG 3.83Å; L463-L526 WeakPolarHBondContact CB-O 3.23Å; L463-L526 HydrophobicContact CD1-CG 4.21Å; L463-L526 PolarHBondContact N-O 3.48Å; T464-L526 PolarHBondContact OG1-N 2.86Å; R470-L526 HydrophobicContact CG-CD2 3.91Å; L516-L526 HydrophobicContact CB-CD1 4.33Å; L516-L526 HydrophobicContact CD1-CD1 3.89Å; L516-L526 HydrophobicContact CD2-CD1 3.89Å; L516-L526 HydrophobicContact CG-CD1 4.25Å; P520-L526 HydrophobicContact CB-CB 4.15Å; P520-L526 HydrophobicContact CB-CD2 3.82Å; P520-L526 WeakPolarHBondContact O-CB 3.48Å; G524-L526 PolarHBondContact O-N 2.79Å; L526-L531 HydrophobicContact CD1-CD2 3.96Å; L526-L531 HydrophobicContact CD1-CG 4.05Å
527	T	95.1	Very high	92.6	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.105	C	C	.	.			trans	-135.6	166.2	176.8	76.8	0	0	0	0	111.2	D459 T525 R529 S530 L531	D459-T527 HydrophobicContact CB-CG2 3.68Å; D459-T527 VanDerWaalsContact CG-CG2 3.47Å; D459-T527 WeakPolarHBondContact OD1-CB 3.3Å; D459-T527 PolarHBondContact OD1-OG1 2.87Å; T525-T527 HydrophobicContact CG2-CG2 3.72Å; T525-T527 PolarHBondContact O-N 3.1Å; T527-R529 PolarHBondContact O-N 3.12Å; T527-R529 WeakPolarHBondContact OG1-CB 3.5Å; T527-R529 PolarHBondContact OG1-N 3.09Å; T527-S530 PolarHBondContact N-OG 2.83Å; T527-S530 PolarHBondContact O-N 3.37Å; T527-S530 PolarHBondContact O-OG 3.4Å; T527-S530 PolarHBondContact OG1-N 3.37Å; T527-S530 VanDerWaalsContact OG1-N 3.11Å; T527-L531 PolarHBondContact O-N 3.08Å; T527-L531 VanDerWaalsContact O-N 3.15Å
528	V	94.5	Very high	92.7	Very high	8 Å²	8	18.8 Å²	18.8	5%	0.048	9%	0.091	C	C	.	.	H	α-helix	trans	-58	-39.4	172.8	178.6	0	0	0	0	110.8	L463 W473 F477 L531 L532	L463-V528 HydrophobicContact CD1-CG2 4.17Å; W473-V528 HydrophobicContact CD2-CG2 3.72Å; W473-V528 HydrophobicContact CE3-CG1 4.46Å; W473-V528 HydrophobicContact CE3-CG2 4.27Å; W473-V528 HydrophobicContact CG-CG2 3.92Å; W473-V528 HydrophobicContact CZ2-CG2 4.24Å; W473-V528 HydrophobicContact CZ3-CG1 4.49Å; F477-V528 HydrophobicContact CE2-CG1 4.5Å; F477-V528 HydrophobicContact CZ-CG1 4.44Å; V528-L531 PolarHBondContact O-N 2.76Å; V528-L532 HydrophobicContact CG1-CD1 3.9Å; V528-L532 WeakPolarHBondContact O-CG 3.35Å; V528-L532 PolarHBondContact O-N 3.07Å; V528-L532 VanDerWaalsContact O-N 3.08Å
529	R	94.8	Very high	93	Very high	17 Å²	17	11.7 Å²	11.7	6%	0.064	6%	0.058	C	C	.	.	H	α-helix	trans	-59	-48.8	173.6	176.7	174.7	62.7	84.5	-3.2	111.8	D459 T527 L531 L532 D533 C724	D459-R529 VanDerWaalsContact OD1-CB 3.29Å; D459-R529 WeakPolarHBondContact OD1-CB 3.28Å; D459-R529 IonicContact OD1-CZ 2.7Å; D459-R529 IonicContact OD1-NE 3.62Å; D459-R529 PolarHBondContact OD1-NE 2.72Å; D459-R529 IonicContact OD1-NH2 3.38Å; D459-R529 IonicContact OD2-CZ 3.74Å; D459-R529 IonicContact OD2-NE 3.63Å; D459-R529 PolarHBondContact OD2-NE 3.44Å; D459-R529 IonicContact OD2-NH2 2.68Å; D459-R529 PolarHBondContact OD2-NH2 2.82Å; T527-R529 PolarHBondContact O-N 3.12Å; T527-R529 WeakPolarHBondContact OG1-CB 3.5Å; T527-R529 PolarHBondContact OG1-N 3.09Å; R529-L531 PolarHBondContact O-N 2.97Å; R529-L532 WeakPolarHBondContact O-CB 3.46Å; R529-L532 PolarHBondContact O-N 3.34Å; R529-L532 VanDerWaalsContact O-N 3.09Å; R529-D533 IonicContact NH1-OD2 2.66Å; R529-D533 VanDerWaalsContact O-CG 3.25Å; R529-D533 PolarHBondContact O-N 3.13Å; R529-C724 HydrophobicContact CB-CB 3.82Å; R529-C724 HydrophobicContact CG-CB 3.65Å
530	S	93.7	Very high	93.1	Very high	10 Å²	10	13.3 Å²	13.3	7%	0.07	7%	0.067	C	C	.	.	H	α-helix	trans	-61.1	-32	179.3	72	0	0	0	0	113.4	T527 T534	T527-S530 PolarHBondContact N-OG 2.83Å; T527-S530 PolarHBondContact O-N 3.37Å; T527-S530 PolarHBondContact O-OG 3.4Å; T527-S530 PolarHBondContact OG1-N 3.37Å; T527-S530 VanDerWaalsContact OG1-N 3.11Å; S530-T534 WeakPolarHBondContact O-CB 3.47Å; S530-T534 PolarHBondContact O-N 3.47Å; S530-T534 PolarHBondContact O-OG1 3.31Å
531	L	95.3	Very high	93	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-69.7	-42.6	174.5	-69.5	171.3	0	0	0	111.5	L463 W473 L474 F477 Y509 L513 L516 L526 T527 V528 R529 T534 R535	L463-L531 HydrophobicContact CD1-CD1 3.95Å; W473-L531 HydrophobicContact CB-CD1 4.2Å; L474-L531 HydrophobicContact CD2-CD1 4.46Å; L474-L531 HydrophobicContact CD2-CD2 3.79Å; F477-L531 HydrophobicContact CD2-CB 4.03Å; F477-L531 HydrophobicContact CD2-CD1 3.7Å; F477-L531 HydrophobicContact CD2-CG 4.41Å; F477-L531 HydrophobicContact CE1-CB 4.19Å; F477-L531 HydrophobicContact CE2-CB 3.73Å; F477-L531 HydrophobicContact CE2-CD1 3.7Å; F477-L531 HydrophobicContact CE2-CG 4.35Å; F477-L531 HydrophobicContact CG-CB 4.45Å; F477-L531 HydrophobicContact CZ-CB 3.82Å; Y509-L531 PolarHBondContact OH-O 2.85Å; L513-L531 HydrophobicContact CD2-CD2 3.75Å; L516-L531 HydrophobicContact CD1-CD2 3.68Å; L526-L531 HydrophobicContact CD1-CD2 3.96Å; L526-L531 HydrophobicContact CD1-CG 4.05Å; T527-L531 PolarHBondContact O-N 3.08Å; T527-L531 VanDerWaalsContact O-N 3.15Å; V528-L531 PolarHBondContact O-N 2.76Å; R529-L531 PolarHBondContact O-N 2.97Å; L531-T534 PolarHBondContact O-N 3.06Å; L531-R535 PolarHBondContact O-N 2.87Å; L531-R535 VanDerWaalsContact O-N 3.1Å
532	L	93.9	Very high	93.1	Very high	17 Å²	17	15.5 Å²	15.5	9%	0.089	8%	0.076	C	C	.	.	H	α-helix	trans	-63.4	-48.6	175.1	-67.9	160.4	0	0	0	110.9	F477 V528 R529 T534 R535 E536 P723	F477-L532 HydrophobicContact CE1-CD2 3.59Å; F477-L532 HydrophobicContact CE1-CG 3.99Å; F477-L532 HydrophobicContact CZ-CD2 3.72Å; F477-L532 HydrophobicContact CZ-CG 3.75Å; V528-L532 HydrophobicContact CG1-CD1 3.9Å; V528-L532 WeakPolarHBondContact O-CG 3.35Å; V528-L532 PolarHBondContact O-N 3.07Å; V528-L532 VanDerWaalsContact O-N 3.08Å; R529-L532 WeakPolarHBondContact O-CB 3.46Å; R529-L532 PolarHBondContact O-N 3.34Å; R529-L532 VanDerWaalsContact O-N 3.09Å; L532-T534 VanDerWaalsContact C-N 3.3Å; L532-T534 PolarHBondContact O-N 2.98Å; L532-R535 WeakPolarHBondContact O-CB 3.19Å; L532-R535 PolarHBondContact O-N 3.28Å; L532-R535 VanDerWaalsContact O-N 3.08Å; L532-E536 WeakPolarHBondContact O-CG 3.25Å; L532-E536 PolarHBondContact O-N 3.12Å; L532-P723 HydrophobicContact CB-CG 3.88Å; L532-P723 HydrophobicContact CD1-CG 3.66Å; L532-P723 HydrophobicContact CD2-CG 4.13Å; L532-P723 HydrophobicContact CG-CG 4.07Å
533	D	93	Very high	93.2	Very high	22 Å²	22	17.8 Å²	17.8	12%	0.118	9%	0.089	C	C	.	.	H	α-helix	trans	-60.1	-40.3	177.6	-63.8	-14.2	0	0	0	111.1	Y408 R529 R535 E536 H537 S722	Y408-D533 HydrophobicContact CD2-CB 4.15Å; Y408-D533 HydrophobicContact CE2-CB 3.89Å; R529-D533 IonicContact NH1-OD2 2.66Å; R529-D533 VanDerWaalsContact O-CG 3.25Å; R529-D533 PolarHBondContact O-N 3.13Å; D533-R535 VanDerWaalsContact C-N 3.32Å; D533-R535 PolarHBondContact O-N 2.72Å; D533-E536 PolarHBondContact O-N 3.25Å; D533-H537 WeakPolarHBondContact O-CB 3.28Å; D533-H537 PolarHBondContact O-N 3.38Å; D533-S722 VanDerWaalsContact OD1-CB 3.29Å; D533-S722 WeakPolarHBondContact OD1-CB 3.22Å; D533-S722 PolarHBondContact OD1-OG 3.37Å
534	T	94.4	Very high	93.3	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.012	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-40	175.5	-60.4	0	0	0	0	111.8	Y509 K512 S530 L531 L532 C538	Y509-T534 HydrophobicContact CD2-CG2 4.06Å; Y509-T534 HydrophobicContact CE2-CG2 3.95Å; K512-T534 HydrophobicContact CB-CG2 3.99Å; K512-T534 HydrophobicContact CG-CG2 4.32Å; S530-T534 WeakPolarHBondContact O-CB 3.47Å; S530-T534 PolarHBondContact O-N 3.47Å; S530-T534 PolarHBondContact O-OG1 3.31Å; L531-T534 PolarHBondContact O-N 3.06Å; L532-T534 VanDerWaalsContact C-N 3.3Å; L532-T534 PolarHBondContact O-N 2.98Å; T534-C538 WeakPolarHBondContact O-CB 3.45Å; T534-C538 PolarHBondContact O-N 2.77Å; T534-C538 PolarHBondContact O-SG 3.44Å
535	R	95.1	Very high	93.2	Very high	12 Å²	12	17.6 Å²	17.6	5%	0.045	9%	0.089	C	C	.	.	H	α-helix	trans	-62.9	-49.4	176	-174.1	-173	64.6	-153.7	-9.3	111.1	F505 Y509 L531 L532 D533 C538 L539	F505-R535 HydrophobicContact CE2-CG 4.37Å; F505-R535 HydrophobicContact CZ-CG 4.19Å; Y509-R535 HydrophobicContact CD2-CB 4.28Å; Y509-R535 HydrophobicContact CE1-CB 4.29Å; Y509-R535 HydrophobicContact CE1-CG 4.21Å; Y509-R535 VanDerWaalsContact CE2-CA 3.43Å; Y509-R535 HydrophobicContact CE2-CB 3.64Å; Y509-R535 HydrophobicContact CE2-CG 4.33Å; L531-R535 PolarHBondContact O-N 2.87Å; L531-R535 VanDerWaalsContact O-N 3.1Å; L532-R535 WeakPolarHBondContact O-CB 3.19Å; L532-R535 PolarHBondContact O-N 3.28Å; L532-R535 VanDerWaalsContact O-N 3.08Å; D533-R535 VanDerWaalsContact C-N 3.32Å; D533-R535 PolarHBondContact O-N 2.72Å; R535-C538 PolarHBondContact O-N 3.19Å; R535-L539 HydrophobicContact CG-CD1 4.17Å; R535-L539 WeakPolarHBondContact O-CG 3.42Å; R535-L539 PolarHBondContact O-N 2.81Å
536	E	92.6	Very high	93.3	Very high	8 Å²	8	17.1 Å²	17.1	4%	0.037	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-43	-179.1	-59.6	-45.3	133.3	0	0	111.4	L532 D533 C538 L539 N540	L532-E536 WeakPolarHBondContact O-CG 3.25Å; L532-E536 PolarHBondContact O-N 3.12Å; D533-E536 PolarHBondContact O-N 3.25Å; E536-C538 VanDerWaalsContact C-N 3.31Å; E536-C538 PolarHBondContact O-N 3.05Å; E536-L539 PolarHBondContact O-N 3.06Å; E536-L539 VanDerWaalsContact O-N 3.17Å; E536-N540 WeakPolarHBondContact O-CB 3.17Å; E536-N540 PolarHBondContact O-N 3.17Å; E536-N540 PolarHBondContact O-ND2 3.33Å
537	H	92.1	Very high	93.2	Very high	47 Å²	47	17.4 Å²	17.4	22%	0.218	9%	0.088	C	C	.	.	H	α-helix	trans	-59.9	-40.4	174.3	-66.5	169	0	0	0	112.1	E406 Y408 A409 D533 E541	E406-H537 PolarHBondContact O-CE1 2.89Å; Y408-H537 AromaticContact CD2-CE1 3.88Å; Y408-H537 AromaticContact CD2-ND1 3.58Å; Y408-H537 AromaticContact CG-ND1 3.88Å; Y408-H537 PolarHBondContact N-ND1 3.2Å; A409-H537 HydrophobicContact CB-CB 3.99Å; D533-H537 WeakPolarHBondContact O-CB 3.28Å; D533-H537 PolarHBondContact O-N 3.38Å; H537-E541 WeakPolarHBondContact O-CB 3.39Å; H537-E541 PolarHBondContact O-N 3.08Å
538	C	94.1	Very high	93.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-68.3	-37	174.8	-77.3	0	0	0	0	112.9	F505 Y509 T534 R535 E536 F542	F505-C538 HydrophobicContact CD2-CB 3.77Å; F505-C538 HydrophobicContact CE2-CB 3.82Å; Y509-C538 HydrophobicContact CD2-CB 4.4Å; T534-C538 WeakPolarHBondContact O-CB 3.45Å; T534-C538 PolarHBondContact O-N 2.77Å; T534-C538 PolarHBondContact O-SG 3.44Å; R535-C538 PolarHBondContact O-N 3.19Å; E536-C538 VanDerWaalsContact C-N 3.31Å; E536-C538 PolarHBondContact O-N 3.05Å; C538-F542 WeakPolarHBondContact O-CD2 3.33Å; C538-F542 PolarHBondContact O-N 3.36Å
539	L	93.7	Very high	93.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-46.1	175.5	-76.8	165.5	0	0	0	111.5	V484 A488 F505 R535 E536 E541 F542 N543 F544 P547	V484-L539 HydrophobicContact CG1-CD1 4.15Å; V484-L539 HydrophobicContact CG1-CD2 4.15Å; A488-L539 HydrophobicContact CB-CD2 4.19Å; F505-L539 HydrophobicContact CD1-CD2 4.11Å; F505-L539 HydrophobicContact CD2-CD2 3.87Å; F505-L539 HydrophobicContact CD2-CG 4.01Å; F505-L539 HydrophobicContact CE1-CD2 3.95Å; F505-L539 HydrophobicContact CE2-CD2 3.71Å; F505-L539 HydrophobicContact CE2-CG 3.58Å; F505-L539 HydrophobicContact CG-CD2 4.08Å; F505-L539 HydrophobicContact CZ-CD2 3.76Å; F505-L539 HydrophobicContact CZ-CG 3.93Å; R535-L539 HydrophobicContact CG-CD1 4.17Å; R535-L539 WeakPolarHBondContact O-CG 3.42Å; R535-L539 PolarHBondContact O-N 2.81Å; E536-L539 PolarHBondContact O-N 3.06Å; E536-L539 VanDerWaalsContact O-N 3.17Å; L539-E541 PolarHBondContact O-N 2.87Å; L539-F542 CarbonylContact O-C 2.92Å; L539-F542 PolarHBondContact O-N 2.9Å; L539-F542 VanDerWaalsContact O-N 3.13Å; L539-N543 PolarHBondContact O-N 3.44Å; L539-F544 HydrophobicContact CB-CB 4.28Å; L539-F544 HydrophobicContact CD2-CB 4.06Å; L539-F544 HydrophobicContact CD2-CD2 4.46Å; L539-F544 PolarHBondContact O-N 2.94Å; L539-P547 HydrophobicContact CD1-CG 3.98Å; L539-P547 HydrophobicContact CD2-CG 4.15Å
540	N	90.3	Very high	92.9	Very high	61 Å²	61	21.1 Å²	21.1	33%	0.326	11%	0.105	S	C	.	.	H	α-helix	trans	-63.5	-40.7	179.3	-73.6	-29.4	0	0	0	112.3	E536 F542 N543	E536-N540 WeakPolarHBondContact O-CB 3.17Å; E536-N540 PolarHBondContact O-N 3.17Å; E536-N540 PolarHBondContact O-ND2 3.33Å; N540-F542 PolarHBondContact O-N 3.47Å; N540-N543 PolarHBondContact O-N 3Å
541	E	89.3	Confident	92.7	Very high	50 Å²	50	22.3 Å²	22.3	23%	0.234	11%	0.112	C	C	.	.	H	α-helix	trans	-54	-34.1	173.7	179.1	80.2	164.3	0	0	112.6	R54 R115 A409 K508 H537 L539	R54-E541 IonicContact CZ-OE1 3.28Å; R54-E541 IonicContact NH1-OE1 3.2Å; R54-E541 PolarHBondContact NH1-OE1 2.81Å; R54-E541 IonicContact NH2-OE1 3.18Å; R115-E541 IonicContact NH1-OE2 3Å; R115-E541 PolarHBondContact NH1-OE2 2.76Å; A409-E541 HydrophobicContact CB-CB 4.42Å; K508-E541 HydrophobicContact CD-CG 4.41Å; K508-E541 IonicContact NZ-OE1 2.72Å; K508-E541 PolarHBondContact NZ-OE1 3.34Å; H537-E541 WeakPolarHBondContact O-CB 3.39Å; H537-E541 PolarHBondContact O-N 3.08Å; L539-E541 PolarHBondContact O-N 2.87Å
542	F	92.1	Very high	92.7	Very high	36 Å²	36	22.3 Å²	22.3	16%	0.158	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	27.3	177.5	-62.3	-69	0	0	0	112.6	R501 K504 F505 K508 C538 L539 N540 F544	R501-F542 HydrophobicContact CB-CB 4.37Å; R501-F542 WeakPolarHBondContact CD-O 3.32Å; R501-F542 PolarHBondContact NH1-O 3.14Å; K504-F542 HydrophobicContact CB-CD1 3.78Å; K504-F542 HydrophobicContact CB-CE1 3.4Å; K504-F542 HydrophobicContact CB-CE2 4.33Å; K504-F542 HydrophobicContact CB-CG 4.4Å; K504-F542 HydrophobicContact CB-CZ 3.7Å; K504-F542 HydrophobicContact CD-CD1 4.5Å; K504-F542 HydrophobicContact CD-CE1 4.17Å; K504-F542 HydrophobicContact CG-CE1 4.37Å; K504-F542 WeakPolarHBondContact O-CE2 3.45Å; F505-F542 VanDerWaalsContact CA-CE2 3.47Å; F505-F542 HydrophobicContact CB-CB 4.32Å; F505-F542 HydrophobicContact CB-CD2 3.61Å; F505-F542 HydrophobicContact CB-CE2 4.27Å; F505-F542 HydrophobicContact CB-CG 4.22Å; K508-F542 HydrophobicContact CB-CE2 3.74Å; K508-F542 HydrophobicContact CB-CZ 4.11Å; K508-F542 HydrophobicContact CD-CE2 3.57Å; K508-F542 HydrophobicContact CD-CZ 3.74Å; K508-F542 HydrophobicContact CG-CE2 4.24Å; C538-F542 WeakPolarHBondContact O-CD2 3.33Å; C538-F542 PolarHBondContact O-N 3.36Å; L539-F542 CarbonylContact O-C 2.92Å; L539-F542 PolarHBondContact O-N 2.9Å; L539-F542 VanDerWaalsContact O-N 3.13Å; N540-F542 PolarHBondContact O-N 3.47Å; F542-F544 HydrophobicContact CB-CD2 4.21Å; F542-F544 HydrophobicContact CB-CE2 4.31Å; F542-F544 WeakPolarHBondContact O-CD2 3.36Å; F542-F544 PolarHBondContact O-N 3.47Å
543	N	91.9	Very high	92.7	Very high	48 Å²	48	23.2 Å²	23.2	26%	0.257	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	37.6	171.6	-71.7	-46.7	0	0	0	115	K82 Q492 R501 L539 N540 P545	K82-N543 HydrophobicContact CD-CB 4.11Å; K82-N543 HydrophobicContact CG-CB 4.23Å; K82-N543 PolarHBondContact N-OD1 3.34Å; Q492-N543 PolarHBondContact NE2-O 2.89Å; R501-N543 PolarHBondContact NH1-O 2.89Å; L539-N543 PolarHBondContact O-N 3.44Å; N540-N543 PolarHBondContact O-N 3Å; N543-P545 VanDerWaalsContact C-CD 3.49Å; N543-P545 VanDerWaalsContact O-CD 3.25Å; N543-P545 WeakPolarHBondContact O-CD 3.15Å
544	F	93.5	Very high	92.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.144	C	C	.	.			trans	-109.2	82.2	169.1	-66.1	-70.9	0	0	0	111	A488 A498 R501 A502 L539 F542 D546 P547	A488-F544 HydrophobicContact CB-CB 4.45Å; A488-F544 HydrophobicContact CB-CD1 3.77Å; A488-F544 HydrophobicContact CB-CD2 4.09Å; A488-F544 HydrophobicContact CB-CE1 3.95Å; A488-F544 HydrophobicContact CB-CE2 4.26Å; A488-F544 HydrophobicContact CB-CG 3.84Å; A488-F544 HydrophobicContact CB-CZ 4.19Å; A488-F544 WeakPolarHBondContact O-CD1 3.47Å; A488-F544 WeakPolarHBondContact O-CE1 3.25Å; A498-F544 HydrophobicContact CB-CE1 4.36Å; A498-F544 HydrophobicContact CB-CZ 4.47Å; A498-F544 WeakPolarHBondContact O-CZ 3.42Å; R501-F544 HydrophobicContact CB-CE2 3.76Å; R501-F544 HydrophobicContact CB-CZ 3.94Å; A502-F544 HydrophobicContact CB-CE2 4.09Å; A502-F544 HydrophobicContact CB-CZ 3.95Å; L539-F544 HydrophobicContact CB-CB 4.28Å; L539-F544 HydrophobicContact CD2-CB 4.06Å; L539-F544 HydrophobicContact CD2-CD2 4.46Å; L539-F544 PolarHBondContact O-N 2.94Å; F542-F544 HydrophobicContact CB-CD2 4.21Å; F542-F544 HydrophobicContact CB-CE2 4.31Å; F542-F544 WeakPolarHBondContact O-CD2 3.36Å; F542-F544 PolarHBondContact O-N 3.47Å; F544-D546 PolarHBondContact O-N 3.27Å; F544-P547 HydrophobicContact CB-CG 4.38Å
545	P	90.3	Very high	92.5	Very high	11 Å²	11	32.6 Å²	32.6	7%	0.071	15%	0.15	C	C	.	.	S	Bend	trans	-68.4	-33.4	-173	20.1	-29.9	0	0	0	115.5	K82 A84 N543	K82-P545 HydrophobicContact CB-CG 4.01Å; K82-P545 VanDerWaalsContact O-CB 3.28Å; K82-P545 WeakPolarHBondContact O-CB 3.22Å; A84-P545 HydrophobicContact CB-CB 4.34Å; A84-P545 HydrophobicContact CB-CG 4.36Å; N543-P545 VanDerWaalsContact C-CD 3.49Å; N543-P545 VanDerWaalsContact O-CD 3.25Å; N543-P545 WeakPolarHBondContact O-CD 3.15Å
546	D	94.2	Very high	92.5	Very high	7 Å²	7	32 Å²	32	4%	0.037	15%	0.148	C	C	.	.			trans	-154.1	87.3	-179.3	-170.3	-14.7	0	0	0	110.2	A84 F544 Y548 S549 K552 P680	A84-D546 HydrophobicContact CB-CB 3.67Å; F544-D546 PolarHBondContact O-N 3.27Å; D546-Y548 PolarHBondContact O-N 3Å; D546-Y548 VanDerWaalsContact O-N 3.12Å; D546-Y548 WeakPolarHBondContact OD1-CA 3.45Å; D546-Y548 PolarHBondContact OD1-N 3.39Å; D546-S549 VanDerWaalsContact CG-N 3.34Å; D546-S549 PolarHBondContact O-N 2.64Å; D546-S549 PolarHBondContact O-OG 2.93Å; D546-S549 PolarHBondContact OD1-N 3.13Å; D546-K552 WeakPolarHBondContact OD2-CE 3.46Å; D546-K552 IonicContact OD2-NZ 3.78Å; D546-K552 PolarHBondContact OD2-NZ 2.97Å; D546-P680 HydrophobicContact CB-CB 3.79Å; D546-P680 HydrophobicContact CB-CG 3.86Å
547	P	94.1	Very high	92.5	Very high	9 Å²	9	32.1 Å²	32.1	6%	0.058	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-17	174.9	-25.7	35.9	0	0	0	114.5	R487 L539 F544	R487-P547 HydrophobicContact CB-CB 4.2Å; L539-P547 HydrophobicContact CD1-CG 3.98Å; L539-P547 HydrophobicContact CD2-CG 4.15Å; F544-P547 HydrophobicContact CB-CG 4.38Å
548	Y	93.8	Very high	92.4	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.016	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-4.8	-173.4	-65	-91.4	0	0	0	113.4	R487 D546 K550 V551 K552 W594 L682 N683	R487-Y548 VanDerWaalsContact CD-CZ 3.47Å; R487-Y548 VanDerWaalsContact NE-CE1 3.34Å; R487-Y548 PolarHBondContact NE-OH 3.42Å; D546-Y548 PolarHBondContact O-N 3Å; D546-Y548 VanDerWaalsContact O-N 3.12Å; D546-Y548 WeakPolarHBondContact OD1-CA 3.45Å; D546-Y548 PolarHBondContact OD1-N 3.39Å; Y548-K550 VanDerWaalsContact C-N 3.32Å; Y548-K550 PolarHBondContact O-N 2.83Å; Y548-K550 VanDerWaalsContact O-N 3.15Å; Y548-V551 WeakPolarHBondContact O-CA 3.46Å; Y548-V551 WeakPolarHBondContact O-CB 3.42Å; Y548-V551 PolarHBondContact O-N 3.13Å; Y548-K552 PolarHBondContact O-N 3.5Å; Y548-W594 HydrophobicContact CD1-CB 4Å; Y548-W594 HydrophobicContact CD1-CG 4.28Å; Y548-W594 HydrophobicContact CE1-CB 3.55Å; Y548-W594 HydrophobicContact CE1-CG 4.18Å; Y548-L682 VanDerWaalsContact CB-O 3.24Å; Y548-L682 WeakPolarHBondContact CB-O 3.04Å; Y548-L682 WeakPolarHBondContact CD2-O 3.49Å; Y548-L682 HydrophobicContact CE2-CD2 3.75Å; Y548-N683 HydrophobicContact CD1-CB 4.35Å
549	S	92.9	Very high	92.4	Very high	9 Å²	9	32.6 Å²	32.6	6%	0.063	16%	0.157	C	C	.	.	H	α-helix	trans	-44.4	-49.7	-177.9	51.3	0	0	0	0	114.4	D546 V551 K552 Q553	D546-S549 VanDerWaalsContact CG-N 3.34Å; D546-S549 PolarHBondContact O-N 2.64Å; D546-S549 PolarHBondContact O-OG 2.93Å; D546-S549 PolarHBondContact OD1-N 3.13Å; S549-V551 PolarHBondContact O-N 3.28Å; S549-K552 PolarHBondContact O-N 3.08Å; S549-Q553 WeakPolarHBondContact O-CB 3.43Å; S549-Q553 PolarHBondContact O-N 2.99Å
550	K	90.8	Very high	92.4	Very high	90 Å²	90	33.2 Å²	33.2	39%	0.391	16%	0.161	S	C	.	.	H	α-helix	trans	-66.8	-36	178.3	-66.3	-176.9	-179.6	176.1	0	113.4	A490 Y548 R554	A490-K550 PolarHBondContact O-NZ 3.43Å; A490-K550 VanDerWaalsContact O-NZ 3.15Å; Y548-K550 VanDerWaalsContact C-N 3.32Å; Y548-K550 PolarHBondContact O-N 2.83Å; Y548-K550 VanDerWaalsContact O-N 3.15Å; K550-R554 WeakPolarHBondContact O-CB 3.34Å; K550-R554 PolarHBondContact O-N 3.36Å
551	V	90.4	Very high	92.5	Very high	35 Å²	35	37.1 Å²	37.1	21%	0.212	17%	0.171	C	C	.	.	H	α-helix	trans	-65.9	-50.7	176.4	176.6	0	0	0	0	109	Y548 S549 Q553 R554 E555 W594	Y548-V551 WeakPolarHBondContact O-CA 3.46Å; Y548-V551 WeakPolarHBondContact O-CB 3.42Å; Y548-V551 PolarHBondContact O-N 3.13Å; S549-V551 PolarHBondContact O-N 3.28Å; V551-Q553 VanDerWaalsContact C-N 3.34Å; V551-Q553 PolarHBondContact O-N 3.23Å; V551-R554 PolarHBondContact O-N 3.03Å; V551-E555 HydrophobicContact CG1-CG 4.3Å; V551-E555 WeakPolarHBondContact CG1-OE1 3.42Å; V551-E555 WeakPolarHBondContact O-CB 3.37Å; V551-E555 WeakPolarHBondContact O-CG 3.46Å; V551-E555 PolarHBondContact O-N 2.91Å; V551-W594 HydrophobicContact CG1-CD2 4.38Å; V551-W594 HydrophobicContact CG1-CZ2 3.69Å; V551-W594 VanDerWaalsContact CG1-NE1 3.34Å
552	K	94.4	Very high	92.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-54.9	-47.1	175.8	-67.3	-169.8	-73.3	167.6	0	112	D546 Y548 S549 R554 E555 N556 S650 N683 D684 E689	D546-K552 WeakPolarHBondContact OD2-CE 3.46Å; D546-K552 IonicContact OD2-NZ 3.78Å; D546-K552 PolarHBondContact OD2-NZ 2.97Å; Y548-K552 PolarHBondContact O-N 3.5Å; S549-K552 PolarHBondContact O-N 3.08Å; K552-R554 PolarHBondContact O-N 3.44Å; K552-E555 PolarHBondContact O-N 3.44Å; K552-N556 VanDerWaalsContact O-CB 3.22Å; K552-N556 WeakPolarHBondContact O-CB 3.21Å; K552-N556 PolarHBondContact O-N 3.45Å; K552-N556 PolarHBondContact O-ND2 3.23Å; K552-S650 WeakPolarHBondContact CD-OG 3.43Å; K552-N683 HydrophobicContact CG-CB 4.09Å; K552-D684 WeakPolarHBondContact CD-O 3.34Å; K552-E689 WeakPolarHBondContact CE-OE1 3.46Å; K552-E689 VanDerWaalsContact NZ-CD 3.29Å; K552-E689 IonicContact NZ-OE1 3.2Å; K552-E689 PolarHBondContact NZ-OE1 2.92Å; K552-E689 IonicContact NZ-OE2 3.93Å; K552-E689 PolarHBondContact NZ-OE2 3.24Å
553	Q	93.6	Very high	92.8	Very high	37 Å²	37	36 Å²	36	17%	0.173	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-45.4	178.1	-179.1	-168.3	61.1	0	0	112.3	P102 P103 Y104 I106 S549 V551 G557	P102-Q553 HydrophobicContact CB-CG 3.88Å; P103-Q553 WeakPolarHBondContact CD-O 3.49Å; P103-Q553 HydrophobicContact CG-CG 4.13Å; P103-Q553 WeakPolarHBondContact CG-O 3.46Å; Y104-Q553 HydrophobicContact CD2-CG 4.29Å; Y104-Q553 HydrophobicContact CE2-CB 3.87Å; Y104-Q553 HydrophobicContact CE2-CG 3.95Å; Y104-Q553 PolarHBondContact O-NE2 3.33Å; Y104-Q553 WeakPolarHBondContact OH-CA 3.35Å; I106-Q553 HydrophobicContact CD1-CB 3.87Å; I106-Q553 HydrophobicContact CD1-CG 4.3Å; S549-Q553 WeakPolarHBondContact O-CB 3.43Å; S549-Q553 PolarHBondContact O-N 2.99Å; V551-Q553 VanDerWaalsContact C-N 3.34Å; V551-Q553 PolarHBondContact O-N 3.23Å; Q553-G557 PolarHBondContact O-N 2.62Å
554	R	91.4	Very high	93	Very high	190 Å²	190	35.4 Å²	35.4	72%	0.717	17%	0.171	S	C	*	.	H	α-helix	trans	-63.1	-49	177.3	-178.8	-175.9	174.9	-156.9	-3.2	111.3	K550 V551 K552 G557 V558	K550-R554 WeakPolarHBondContact O-CB 3.34Å; K550-R554 PolarHBondContact O-N 3.36Å; V551-R554 PolarHBondContact O-N 3.03Å; K552-R554 PolarHBondContact O-N 3.44Å; R554-G557 PolarHBondContact O-N 3.24Å; R554-V558 WeakPolarHBondContact O-CG2 3.46Å; R554-V558 PolarHBondContact O-N 2.92Å
555	E	91.9	Very high	93	Very high	30 Å²	30	37 Å²	37	14%	0.14	19%	0.187	C	C	.	.	H	α-helix	trans	-64.6	-41.1	-178.8	-70.5	178.7	171.9	0	0	111.7	V551 K552 G557 V558 A559 W594	V551-E555 HydrophobicContact CG1-CG 4.3Å; V551-E555 WeakPolarHBondContact CG1-OE1 3.42Å; V551-E555 WeakPolarHBondContact O-CB 3.37Å; V551-E555 WeakPolarHBondContact O-CG 3.46Å; V551-E555 PolarHBondContact O-N 2.91Å; K552-E555 PolarHBondContact O-N 3.44Å; E555-G557 VanDerWaalsContact C-N 3.34Å; E555-G557 PolarHBondContact O-N 3.43Å; E555-V558 PolarHBondContact O-N 3.26Å; E555-A559 WeakPolarHBondContact O-CB 3.29Å; E555-A559 PolarHBondContact O-N 3.11Å; E555-W594 PolarHBondContact OE1-NE1 3.13Å
556	N	94.8	Very high	93.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.6	-46.4	172.3	-78.2	-27.2	0	0	0	111.4	P103 Y104 K552 V558 A559 L560 G651 I655	P103-N556 HydrophobicContact CG-CB 4.11Å; Y104-N556 HydrophobicContact CE1-CB 4.26Å; Y104-N556 PolarHBondContact OH-ND2 3.13Å; K552-N556 VanDerWaalsContact O-CB 3.22Å; K552-N556 WeakPolarHBondContact O-CB 3.21Å; K552-N556 PolarHBondContact O-N 3.45Å; K552-N556 PolarHBondContact O-ND2 3.23Å; N556-V558 PolarHBondContact O-N 3.46Å; N556-A559 PolarHBondContact O-N 2.92Å; N556-L560 WeakPolarHBondContact O-CB 3.5Å; N556-L560 VanDerWaalsContact O-CG 3.25Å; N556-L560 WeakPolarHBondContact O-CG 3.32Å; N556-L560 PolarHBondContact O-N 2.7Å; N556-G651 VanDerWaalsContact OD1-CA 3.28Å; N556-G651 WeakPolarHBondContact OD1-CA 3.39Å; N556-G651 PolarHBondContact OD1-N 3.45Å; N556-I655 HydrophobicContact CB-CD1 4.1Å; N556-I655 WeakPolarHBondContact OD1-CD1 3.35Å
557	G	92.3	Very high	93.4	Very high	10 Å²	10	37.7 Å²	37.7	10%	0.103	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-41.7	177.6	0	0	0	0	0	113.1	Q553 R554 E555 R561	Q553-G557 PolarHBondContact O-N 2.62Å; R554-G557 PolarHBondContact O-N 3.24Å; E555-G557 VanDerWaalsContact C-N 3.34Å; E555-G557 PolarHBondContact O-N 3.43Å; G557-R561 PolarHBondContact O-N 2.68Å; G557-R561 PolarHBondContact O-NH1 2.79Å
558	V	90.7	Very high	93.5	Very high	57 Å²	57	44.9 Å²	44.9	35%	0.345	22%	0.217	S	C	.	.	H	α-helix	trans	-64.3	-49.3	175.7	174.1	0	0	0	0	111	R554 E555 N556 L560 R561 C562	R554-V558 WeakPolarHBondContact O-CG2 3.46Å; R554-V558 PolarHBondContact O-N 2.92Å; E555-V558 PolarHBondContact O-N 3.26Å; N556-V558 PolarHBondContact O-N 3.46Å; V558-L560 PolarHBondContact O-N 2.85Å; V558-R561 PolarHBondContact O-N 3.13Å; V558-C562 PolarHBondContact O-N 3.46Å
559	A	93.8	Very high	93.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-39.8	-176.4	0	0	0	0	0	112.4	E555 N556 R561 C562 F563 I652 I655 L656	E555-A559 WeakPolarHBondContact O-CB 3.29Å; E555-A559 PolarHBondContact O-N 3.11Å; N556-A559 PolarHBondContact O-N 2.92Å; A559-R561 VanDerWaalsContact C-N 3.29Å; A559-R561 PolarHBondContact O-N 3.16Å; A559-C562 PolarHBondContact O-N 3.5Å; A559-C562 VanDerWaalsContact O-N 3.07Å; A559-F563 PolarHBondContact O-N 2.87Å; A559-I652 HydrophobicContact CB-CG1 4.24Å; A559-I655 HydrophobicContact CB-CB 3.81Å; A559-I655 HydrophobicContact CB-CD1 3.74Å; A559-I655 HydrophobicContact CB-CG1 4.38Å; A559-I655 HydrophobicContact CB-CG2 3.92Å; A559-L656 HydrophobicContact CB-CD1 4.33Å; A559-L656 HydrophobicContact CB-CG 4.13Å; A559-L656 WeakPolarHBondContact O-CD2 3.31Å
560	L	94.8	Very high	93.8	Very high	14 Å²	14	48.7 Å²	48.7	7%	0.073	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-38	175.6	-75.9	169.7	0	0	0	112.5	P103 N556 V558 C562 F563 I655 V693 R696 I697 M700	P103-L560 HydrophobicContact CB-CD1 3.95Å; N556-L560 WeakPolarHBondContact O-CB 3.5Å; N556-L560 VanDerWaalsContact O-CG 3.25Å; N556-L560 WeakPolarHBondContact O-CG 3.32Å; N556-L560 PolarHBondContact O-N 2.7Å; V558-L560 PolarHBondContact O-N 2.85Å; L560-C562 VanDerWaalsContact C-N 3.32Å; L560-C562 PolarHBondContact O-N 2.96Å; L560-F563 PolarHBondContact O-N 3.25Å; L560-I655 HydrophobicContact CD2-CD1 4.24Å; L560-I655 HydrophobicContact CD2-CG1 4.44Å; L560-I655 HydrophobicContact CD2-CG2 4.27Å; L560-I655 HydrophobicContact CG-CD1 3.91Å; L560-V693 HydrophobicContact CD2-CG1 4.5Å; L560-R696 HydrophobicContact CD1-CB 4.13Å; L560-R696 HydrophobicContact CD1-CG 4.22Å; L560-R696 HydrophobicContact CD2-CB 3.91Å; L560-I697 HydrophobicContact CD2-CD1 4.44Å; L560-I697 HydrophobicContact CD2-CG1 3.81Å; L560-M700 HydrophobicContact CB-CE 4.4Å; L560-M700 HydrophobicContact CD2-CE 3.85Å
561	R	91.9	Very high	94	Very high	142 Å²	142	47.8 Å²	47.8	54%	0.536	24%	0.242	S	C	.	.	H	α-helix	trans	-66.7	-34.2	176	-71.6	-171.7	-65.1	-94	0.1	112.7	G557 V558 A559	G557-R561 PolarHBondContact O-N 2.68Å; G557-R561 PolarHBondContact O-NH1 2.79Å; V558-R561 PolarHBondContact O-N 3.13Å; A559-R561 VanDerWaalsContact C-N 3.29Å; A559-R561 PolarHBondContact O-N 3.16Å
562	C	92.9	Very high	94.4	Very high	60 Å²	60	51.8 Å²	51.8	41%	0.405	27%	0.267	S	S	.	.	H	α-helix	trans	-79.7	-24.1	179.7	-65.2	0	0	0	0	113.1	V558 A559 L560 G565 V566 L656	V558-C562 PolarHBondContact O-N 3.46Å; A559-C562 PolarHBondContact O-N 3.5Å; A559-C562 VanDerWaalsContact O-N 3.07Å; L560-C562 VanDerWaalsContact C-N 3.32Å; L560-C562 PolarHBondContact O-N 2.96Å; C562-G565 PolarHBondContact O-N 2.88Å; C562-V566 PolarHBondContact O-N 3.4Å; C562-V566 VanDerWaalsContact O-N 3.16Å; C562-L656 HydrophobicContact CB-CD1 3.88Å; C562-L656 HydrophobicContact CB-CD2 4.17Å
563	F	95.4	Very high	94.5	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	28%	0.281	C	S	.	.	H	α-helix	trans	-52	-49.6	-171.6	178.9	-95.6	0	0	0	114.5	A559 L560 G565 V566 V567 I655 L656 F659 P660 I697 D701	A559-F563 PolarHBondContact O-N 2.87Å; L560-F563 PolarHBondContact O-N 3.25Å; F563-G565 PolarHBondContact O-N 3.12Å; F563-V566 PolarHBondContact O-N 3.2Å; F563-V566 VanDerWaalsContact O-N 3.15Å; F563-V567 HydrophobicContact CD1-CG2 4.19Å; F563-V567 HydrophobicContact CD2-CG2 4.29Å; F563-V567 HydrophobicContact CE1-CG2 3.71Å; F563-V567 HydrophobicContact CE2-CG2 3.86Å; F563-V567 HydrophobicContact CG-CG2 4.46Å; F563-V567 HydrophobicContact CZ-CG2 3.54Å; F563-V567 PolarHBondContact O-N 2.97Å; F563-I655 HydrophobicContact CB-CG2 4Å; F563-I655 HydrophobicContact CD2-CG2 3.96Å; F563-I655 WeakPolarHBondContact CD2-O 3.46Å; F563-I655 WeakPolarHBondContact CE2-O 3.35Å; F563-I655 HydrophobicContact CG-CG2 4.31Å; F563-L656 HydrophobicContact CB-CD2 3.94Å; F563-L656 HydrophobicContact CD2-CD2 4.28Å; F563-F659 HydrophobicContact CE2-CB 3.97Å; F563-P660 HydrophobicContact CD2-CG 4.49Å; F563-P660 HydrophobicContact CE2-CG 3.98Å; F563-I697 HydrophobicContact CD1-CG1 4.5Å; F563-I697 HydrophobicContact CD1-CG2 4.47Å; F563-I697 HydrophobicContact CE1-CG1 4.46Å; F563-I697 HydrophobicContact CE1-CG2 3.68Å; F563-I697 HydrophobicContact CE2-CD1 4.33Å; F563-I697 HydrophobicContact CE2-CG2 4.3Å; F563-I697 HydrophobicContact CZ-CG1 4.5Å; F563-I697 HydrophobicContact CZ-CG2 3.56Å; F563-D701 HydrophobicContact CE1-CB 3.99Å; F563-D701 HydrophobicContact CZ-CB 4.49Å
564	P	95.2	Very high	94.7	Very high	36 Å²	36	54.7 Å²	54.7	23%	0.234	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-32.6	-179.8	-23.2	34.7	0	0	0	113.3	R568 M700	P564-R568 WeakPolarHBondContact O-CB 3.38Å; P564-R568 WeakPolarHBondContact O-CG 3.43Å; P564-R568 PolarHBondContact O-N 2.9Å; P564-R568 VanDerWaalsContact O-N 3.13Å; P564-R568 PolarHBondContact O-NH1 2.62Å; P564-M700 HydrophobicContact CG-SD 3.88Å
565	G	94.3	Very high	94.9	Very high	33 Å²	33	49.7 Å²	49.7	34%	0.34	27%	0.274	S	S	.	.	H	α-helix	trans	-68.1	-44	176.6	0	0	0	0	0	112	C562 F563 R568 S569	C562-G565 PolarHBondContact O-N 2.88Å; F563-G565 PolarHBondContact O-N 3.12Å; G565-R568 PolarHBondContact O-N 2.82Å; G565-S569 PolarHBondContact O-N 2.57Å
566	V	94.6	Very high	95.1	Very high	23 Å²	23	53.1 Å²	53.1	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-47.1	177.5	174.1	0	0	0	0	110.9	C562 F563 R568 S569 L570 F611 L656	C562-V566 PolarHBondContact O-N 3.4Å; C562-V566 VanDerWaalsContact O-N 3.16Å; F563-V566 PolarHBondContact O-N 3.2Å; F563-V566 VanDerWaalsContact O-N 3.15Å; V566-R568 PolarHBondContact O-N 2.81Å; V566-S569 PolarHBondContact O-N 3.42Å; V566-L570 HydrophobicContact CG1-CD1 3.96Å; V566-L570 HydrophobicContact CG1-CG 4.48Å; V566-L570 WeakPolarHBondContact O-CG 3.34Å; V566-L570 PolarHBondContact O-N 3.22Å; V566-F611 HydrophobicContact CG1-CE1 4.4Å; V566-F611 HydrophobicContact CG2-CD1 4.42Å; V566-F611 HydrophobicContact CG2-CE1 4.2Å; V566-L656 HydrophobicContact CB-CD2 4.38Å; V566-L656 HydrophobicContact CG2-CD1 4.49Å; V566-L656 HydrophobicContact CG2-CD2 4.01Å
567	V	96.9	Very high	95.2	Very high	10 Å²	10	59 Å²	59	6%	0.061	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-46.6	178.4	175.2	0	0	0	0	111.5	F563 S569 L570 D571	F563-V567 HydrophobicContact CD1-CG2 4.19Å; F563-V567 HydrophobicContact CD2-CG2 4.29Å; F563-V567 HydrophobicContact CE1-CG2 3.71Å; F563-V567 HydrophobicContact CE2-CG2 3.86Å; F563-V567 HydrophobicContact CG-CG2 4.46Å; F563-V567 HydrophobicContact CZ-CG2 3.54Å; F563-V567 PolarHBondContact O-N 2.97Å; V567-S569 VanDerWaalsContact C-N 3.3Å; V567-S569 PolarHBondContact O-N 3.44Å; V567-L570 PolarHBondContact O-N 2.88Å; V567-L570 VanDerWaalsContact O-N 3.13Å; V567-D571 PolarHBondContact O-N 3.31Å
568	R	96.6	Very high	95.5	Very high	161 Å²	161	60.8 Å²	60.8	61%	0.608	32%	0.321	S	S	*	.	H	α-helix	trans	-58.7	-42.2	176.3	-76.9	-170.8	-60.1	-92.4	2.9	112.3	P564 G565 V566 L570 D571 T572	P564-R568 WeakPolarHBondContact O-CB 3.38Å; P564-R568 WeakPolarHBondContact O-CG 3.43Å; P564-R568 PolarHBondContact O-N 2.9Å; P564-R568 VanDerWaalsContact O-N 3.13Å; P564-R568 PolarHBondContact O-NH1 2.62Å; G565-R568 PolarHBondContact O-N 2.82Å; V566-R568 PolarHBondContact O-N 2.81Å; R568-L570 VanDerWaalsContact C-N 3.33Å; R568-L570 PolarHBondContact O-N 3.43Å; R568-D571 PolarHBondContact O-N 2.94Å; R568-T572 WeakPolarHBondContact O-CG2 3.15Å; R568-T572 PolarHBondContact O-N 2.82Å
569	S	95.9	Very high	95.8	Very high	73 Å²	73	58.4 Å²	58.4	51%	0.51	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-40.4	177	-174.4	0	0	0	0	111.6	G565 V566 V567 T572	G565-S569 PolarHBondContact O-N 2.57Å; V566-S569 PolarHBondContact O-N 3.42Å; V567-S569 VanDerWaalsContact C-N 3.3Å; V567-S569 PolarHBondContact O-N 3.44Å; S569-T572 PolarHBondContact O-N 2.94Å; S569-T572 PolarHBondContact O-OG1 3.1Å
570	L	96.8	Very high	96	Very high	19 Å²	19	60.5 Å²	60.5	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-66.7	-40	178	-70.7	167.2	0	0	0	111.9	V566 V567 R568 T572 L573 R578 A581 L582 P660	V566-L570 HydrophobicContact CG1-CD1 3.96Å; V566-L570 HydrophobicContact CG1-CG 4.48Å; V566-L570 WeakPolarHBondContact O-CG 3.34Å; V566-L570 PolarHBondContact O-N 3.22Å; V567-L570 PolarHBondContact O-N 2.88Å; V567-L570 VanDerWaalsContact O-N 3.13Å; R568-L570 VanDerWaalsContact C-N 3.33Å; R568-L570 PolarHBondContact O-N 3.43Å; L570-T572 PolarHBondContact O-N 2.91Å; L570-L573 HydrophobicContact CD2-CD1 4.41Å; L570-L573 PolarHBondContact O-N 3.42Å; L570-R578 HydrophobicContact CB-CG 4.48Å; L570-R578 WeakPolarHBondContact O-CD 3.47Å; L570-A581 HydrophobicContact CD2-CB 3.64Å; L570-L582 HydrophobicContact CD1-CD2 3.75Å; L570-L582 HydrophobicContact CD2-CD2 4.3Å; L570-L582 HydrophobicContact CD2-CG 4.31Å; L570-P660 HydrophobicContact CD1-CB 3.79Å
571	D	96.3	Very high	96.1	Very high	72 Å²	72	61.2 Å²	61.2	39%	0.385	33%	0.325	S	S	.	.	H	α-helix	trans	-67.6	-20.6	179.7	-72.6	-16.8	0	0	0	113.2	V567 R568 R663	V567-D571 PolarHBondContact O-N 3.31Å; R568-D571 PolarHBondContact O-N 2.94Å; D571-R663 IonicContact OD1-CZ 2.82Å; D571-R663 IonicContact OD1-NH1 3.82Å; D571-R663 PolarHBondContact OD1-NH1 2.96Å; D571-R663 IonicContact OD1-NH2 3.69Å; D571-R663 PolarHBondContact OD1-NH2 3.02Å; D571-R663 IonicContact OD2-CZ 3.25Å; D571-R663 IonicContact OD2-NH1 3.32Å; D571-R663 IonicContact OD2-NH2 3.78Å; D571-R663 PolarHBondContact OD2-NH2 2.77Å
572	T	97.3	Very high	96.3	Very high	118 Å²	118	54.8 Å²	54.8	72%	0.724	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.2	174	59.5	0	0	0	0	114.8	R568 S569 L570	R568-T572 WeakPolarHBondContact O-CG2 3.15Å; R568-T572 PolarHBondContact O-N 2.82Å; S569-T572 PolarHBondContact O-N 2.94Å; S569-T572 PolarHBondContact O-OG1 3.1Å; L570-T572 PolarHBondContact O-N 2.91Å
573	L	97.4	Very high	96.5	Very high	58 Å²	58	52 Å²	52	30%	0.304	28%	0.282	S	S	.	.	S	Bend	trans	-84.7	153.5	-176.2	-63.2	174.3	0	0	0	112.2	L570 E577 R578 A581	L570-L573 HydrophobicContact CD2-CD1 4.41Å; L570-L573 PolarHBondContact O-N 3.42Å; L573-E577 HydrophobicContact CB-CB 4.3Å; L573-R578 HydrophobicContact CB-CB 4.03Å; L573-A581 HydrophobicContact CD1-CB 3.7Å
574	G	97.3	Very high	96.5	Very high	40 Å²	40	56 Å²	56	41%	0.412	30%	0.3	S	S	.	.			trans	-63.4	157.6	166.6	0	0	0	0	0	111.6	E576 E577 R578	G574-E576 PolarHBondContact O-N 2.99Å; G574-E577 PolarHBondContact O-N 2.93Å; G574-R578 VanDerWaalsContact O-CB 3.27Å; G574-R578 WeakPolarHBondContact O-CB 3.41Å; G574-R578 PolarHBondContact O-N 3.35Å
575	W	96.3	Very high	96.5	Very high	85 Å²	85	54.6 Å²	54.6	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-56.3	-48.2	-171.5	-179.2	83.5	0	0	0	113.9	R578 Q579 L632 L635 K636	W575-R578 PolarHBondContact O-N 3.09Å; W575-Q579 HydrophobicContact CD2-CG 4.28Å; W575-Q579 HydrophobicContact CE3-CG 4.5Å; W575-Q579 HydrophobicContact CH2-CG 4.23Å; W575-Q579 HydrophobicContact CZ2-CG 4.01Å; W575-Q579 HydrophobicContact CZ3-CG 4.47Å; W575-Q579 WeakPolarHBondContact O-CG 3.4Å; W575-Q579 PolarHBondContact O-N 2.9Å; W575-Q579 PolarHBondContact O-NE2 2.95Å; W575-L632 HydrophobicContact CH2-CD1 3.91Å; W575-L632 HydrophobicContact CZ3-CD1 3.77Å; W575-L635 HydrophobicContact CH2-CB 4.11Å; W575-L635 HydrophobicContact CZ2-CB 4.13Å; W575-K636 HydrophobicContact CH2-CG 3.64Å; W575-K636 HydrophobicContact CZ3-CD 4.49Å; W575-K636 HydrophobicContact CZ3-CG 3.83Å
576	E	96.3	Very high	96.5	Very high	102 Å²	102	53.2 Å²	53.2	48%	0.477	28%	0.276	S	S	.	.	H	α-helix	trans	-66.2	-44	179.9	-66.8	-167.9	159	0	0	111.9	G574 R578 Q579 L580 K636	G574-E576 PolarHBondContact O-N 2.99Å; E576-R578 VanDerWaalsContact C-N 3.3Å; E576-R578 PolarHBondContact O-N 3.29Å; E576-Q579 PolarHBondContact O-N 2.86Å; E576-L580 PolarHBondContact O-N 2.9Å; E576-K636 VanDerWaalsContact OE1-CE 3.29Å; E576-K636 WeakPolarHBondContact OE1-CE 3.32Å; E576-K636 IonicContact OE1-NZ 2.75Å; E576-K636 PolarHBondContact OE1-NZ 2.79Å
577	E	96.9	Very high	96.6	Very high	125 Å²	125	52.1 Å²	52.1	58%	0.584	27%	0.27	S	S	*	.	H	α-helix	trans	-61.6	-40.2	176.6	-66.3	178.2	168.2	0	0	111.6	L573 G574 L580 A581	L573-E577 HydrophobicContact CB-CB 4.3Å; G574-E577 PolarHBondContact O-N 2.93Å; E577-L580 PolarHBondContact O-N 3.17Å; E577-A581 WeakPolarHBondContact O-CB 3.22Å; E577-A581 PolarHBondContact O-N 3.43Å
578	R	97.8	Very high	96.3	Very high	47 Å²	47	51.6 Å²	51.6	18%	0.177	27%	0.267	C	S	.	.	H	α-helix	trans	-62.1	-43.6	176	-171.1	175.3	68.8	-166.1	4.3	111.6	L570 L573 G574 W575 E576 L580 A581 L582 E664	L570-R578 HydrophobicContact CB-CG 4.48Å; L570-R578 WeakPolarHBondContact O-CD 3.47Å; L573-R578 HydrophobicContact CB-CB 4.03Å; G574-R578 VanDerWaalsContact O-CB 3.27Å; G574-R578 WeakPolarHBondContact O-CB 3.41Å; G574-R578 PolarHBondContact O-N 3.35Å; W575-R578 PolarHBondContact O-N 3.09Å; E576-R578 VanDerWaalsContact C-N 3.3Å; E576-R578 PolarHBondContact O-N 3.29Å; R578-L580 VanDerWaalsContact C-N 3.32Å; R578-L580 PolarHBondContact O-N 2.97Å; R578-A581 PolarHBondContact O-N 3.08Å; R578-L582 HydrophobicContact CG-CD1 4.17Å; R578-L582 HydrophobicContact CG-CG 4.49Å; R578-L582 WeakPolarHBondContact O-CB 3.25Å; R578-L582 VanDerWaalsContact O-CG 3.26Å; R578-L582 WeakPolarHBondContact O-CG 3.5Å; R578-L582 PolarHBondContact O-N 2.93Å; R578-E664 IonicContact CZ-OE1 3.4Å; R578-E664 IonicContact CZ-OE2 3.37Å; R578-E664 IonicContact NE-OE1 3.3Å; R578-E664 PolarHBondContact NE-OE1 3.07Å; R578-E664 IonicContact NE-OE2 3.14Å; R578-E664 PolarHBondContact NE-OE2 3.36Å; R578-E664 VanDerWaalsContact NE-OE2 3.14Å; R578-E664 IonicContact NH2-OE1 2.75Å; R578-E664 PolarHBondContact NH2-OE1 3.42Å; R578-E664 IonicContact NH2-OE2 3.35Å; R578-E664 PolarHBondContact NH2-OE2 3.12Å
579	Q	97.9	Very high	95.9	Very high	6 Å²	6	44 Å²	44	3%	0.028	24%	0.238	C	C	.	.	H	α-helix	trans	-59.9	-43	176.5	-61.2	-37.9	-63.2	0	0	111.5	W575 E576 L582 V583 L632 L635 E664	W575-Q579 HydrophobicContact CD2-CG 4.28Å; W575-Q579 HydrophobicContact CE3-CG 4.5Å; W575-Q579 HydrophobicContact CH2-CG 4.23Å; W575-Q579 HydrophobicContact CZ2-CG 4.01Å; W575-Q579 HydrophobicContact CZ3-CG 4.47Å; W575-Q579 WeakPolarHBondContact O-CG 3.4Å; W575-Q579 PolarHBondContact O-N 2.9Å; W575-Q579 PolarHBondContact O-NE2 2.95Å; E576-Q579 PolarHBondContact O-N 2.86Å; Q579-L582 PolarHBondContact O-N 3.45Å; Q579-V583 WeakPolarHBondContact O-CG2 3.47Å; Q579-V583 PolarHBondContact O-N 3.41Å; Q579-V583 VanDerWaalsContact O-N 3.14Å; Q579-L632 HydrophobicContact CB-CD1 3.81Å; Q579-L632 HydrophobicContact CG-CD1 3.78Å; Q579-L635 HydrophobicContact CG-CD1 4.24Å; Q579-E664 PolarHBondContact NE2-OE1 2.71Å
580	L	96.8	Very high	95.7	Very high	44 Å²	44	40.5 Å²	40.5	23%	0.23	21%	0.214	C	C	.	.	H	α-helix	trans	-67.2	-40.9	177.8	-174.6	58.9	0	0	0	111.5	E576 E577 R578 L582 V583 K584 W623 Y628	E576-L580 PolarHBondContact O-N 2.9Å; E577-L580 PolarHBondContact O-N 3.17Å; R578-L580 VanDerWaalsContact C-N 3.32Å; R578-L580 PolarHBondContact O-N 2.97Å; L580-L582 VanDerWaalsContact C-N 3.34Å; L580-L582 PolarHBondContact O-N 2.83Å; L580-V583 PolarHBondContact O-N 3.44Å; L580-K584 HydrophobicContact CD1-CG 4.47Å; L580-K584 HydrophobicContact CG-CD 4.37Å; L580-K584 WeakPolarHBondContact O-CB 3.46Å; L580-K584 WeakPolarHBondContact O-CG 3.4Å; L580-K584 PolarHBondContact O-N 3.12Å; L580-W623 HydrophobicContact CD1-CH2 4.26Å; L580-Y628 VanDerWaalsContact CA-OH 3.25Å; L580-Y628 WeakPolarHBondContact CA-OH 3.36Å; L580-Y628 HydrophobicContact CB-CE1 4.5Å; L580-Y628 HydrophobicContact CB-CE2 4.41Å; L580-Y628 VanDerWaalsContact CB-OH 3.3Å; L580-Y628 WeakPolarHBondContact CB-OH 2.85Å; L580-Y628 HydrophobicContact CD1-CD1 4.32Å; L580-Y628 HydrophobicContact CD1-CD2 4.28Å; L580-Y628 HydrophobicContact CD1-CE1 3.91Å; L580-Y628 HydrophobicContact CD1-CE2 3.88Å; L580-Y628 HydrophobicContact CD1-CG 4.48Å; L580-Y628 PolarHBondContact N-OH 3.3Å
581	A	96.7	Very high	95.2	Very high	30 Å²	30	39.7 Å²	39.7	25%	0.248	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-38.7	178	0	0	0	0	0	112.2	L570 L573 E577 R578 K584 G585	L570-A581 HydrophobicContact CD2-CB 3.64Å; L573-A581 HydrophobicContact CD1-CB 3.7Å; E577-A581 WeakPolarHBondContact O-CB 3.22Å; E577-A581 PolarHBondContact O-N 3.43Å; R578-A581 PolarHBondContact O-N 3.08Å; A581-K584 PolarHBondContact O-N 2.57Å; A581-G585 PolarHBondContact O-N 3.4Å
582	L	97.4	Very high	94.6	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-47.7	174.3	-73.2	166.2	0	0	0	111.8	L570 R578 Q579 L580 K584 G585 L586 P660 E664	L570-L582 HydrophobicContact CD1-CD2 3.75Å; L570-L582 HydrophobicContact CD2-CD2 4.3Å; L570-L582 HydrophobicContact CD2-CG 4.31Å; R578-L582 HydrophobicContact CG-CD1 4.17Å; R578-L582 HydrophobicContact CG-CG 4.49Å; R578-L582 WeakPolarHBondContact O-CB 3.25Å; R578-L582 VanDerWaalsContact O-CG 3.26Å; R578-L582 WeakPolarHBondContact O-CG 3.5Å; R578-L582 PolarHBondContact O-N 2.93Å; Q579-L582 PolarHBondContact O-N 3.45Å; L580-L582 VanDerWaalsContact C-N 3.34Å; L580-L582 PolarHBondContact O-N 2.83Å; L582-K584 PolarHBondContact O-N 2.99Å; L582-G585 WeakPolarHBondContact O-CA 3.49Å; L582-G585 PolarHBondContact O-N 3.27Å; L582-G585 VanDerWaalsContact O-N 3.11Å; L582-L586 PolarHBondContact O-N 3.44Å; L582-P660 HydrophobicContact CD2-CB 3.76Å; L582-P660 WeakPolarHBondContact CD2-O 3.38Å; L582-E664 HydrophobicContact CD1-CB 3.51Å; L582-E664 HydrophobicContact CD1-CG 3.5Å; L582-E664 VanDerWaalsContact CD1-CG 3.5Å
583	V	97.3	Very high	93.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-43.5	176.8	170.7	0	0	0	0	111.4	Q579 L580 G585 L586 L587 W623 Y628 F791	Q579-V583 WeakPolarHBondContact O-CG2 3.47Å; Q579-V583 PolarHBondContact O-N 3.41Å; Q579-V583 VanDerWaalsContact O-N 3.14Å; L580-V583 PolarHBondContact O-N 3.44Å; V583-G585 VanDerWaalsContact C-N 3.25Å; V583-G585 PolarHBondContact O-N 3.15Å; V583-L586 WeakPolarHBondContact O-CB 3.27Å; V583-L586 PolarHBondContact O-N 3.12Å; V583-L587 HydrophobicContact CG1-CD1 3.94Å; V583-L587 WeakPolarHBondContact O-CG 3.37Å; V583-L587 PolarHBondContact O-N 2.86Å; V583-W623 HydrophobicContact CG1-CH2 3.52Å; V583-W623 HydrophobicContact CG1-CZ3 3.93Å; V583-Y628 HydrophobicContact CB-CD2 4.37Å; V583-Y628 HydrophobicContact CB-CE2 4.24Å; V583-Y628 HydrophobicContact CG1-CD2 4.31Å; V583-Y628 HydrophobicContact CG2-CD2 4.09Å; V583-Y628 HydrophobicContact CG2-CE2 3.9Å; V583-F791 HydrophobicContact CB-CE2 4.11Å; V583-F791 HydrophobicContact CG1-CD2 3.43Å; V583-F791 VanDerWaalsContact CG1-CD2 3.43Å; V583-F791 HydrophobicContact CG1-CE2 3.24Å; V583-F791 HydrophobicContact CG1-CG 4.45Å; V583-F791 HydrophobicContact CG1-CZ 4.15Å; V583-F791 HydrophobicContact CG2-CE2 3.67Å; V583-F791 HydrophobicContact CG2-CZ 3.98Å
584	K	95.6	Very high	93	Very high	88 Å²	88	30.2 Å²	30.2	38%	0.383	15%	0.152	S	C	.	.	H	α-helix	trans	-63.4	-33.4	173.7	-75.2	-176	175.7	-173.9	0	112.1	L580 A581 L582 A588 W623	L580-K584 HydrophobicContact CD1-CG 4.47Å; L580-K584 HydrophobicContact CG-CD 4.37Å; L580-K584 WeakPolarHBondContact O-CB 3.46Å; L580-K584 WeakPolarHBondContact O-CG 3.4Å; L580-K584 PolarHBondContact O-N 3.12Å; A581-K584 PolarHBondContact O-N 2.57Å; L582-K584 PolarHBondContact O-N 2.99Å; K584-A588 WeakPolarHBondContact O-CB 3.39Å; K584-A588 PolarHBondContact O-N 2.85Å; K584-W623 HydrophobicContact CG-CZ2 4.44Å
585	G	95.3	Very high	91.7	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-49.6	174.6	0	0	0	0	0	112.1	A581 L582 V583 A588 G589	A581-G585 PolarHBondContact O-N 3.4Å; L582-G585 WeakPolarHBondContact O-CA 3.49Å; L582-G585 PolarHBondContact O-N 3.27Å; L582-G585 VanDerWaalsContact O-N 3.11Å; V583-G585 VanDerWaalsContact C-N 3.25Å; V583-G585 PolarHBondContact O-N 3.15Å; G585-A588 PolarHBondContact O-N 3.29Å; G585-G589 PolarHBondContact O-N 2.99Å
586	L	94.4	Very high	90.8	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-53.7	-54.1	172.3	-77.9	169.3	0	0	0	111.6	L582 V583 A588 G589 N590 V658 F661 L770	L582-L586 PolarHBondContact O-N 3.44Å; V583-L586 WeakPolarHBondContact O-CB 3.27Å; V583-L586 PolarHBondContact O-N 3.12Å; L586-A588 PolarHBondContact O-N 3.46Å; L586-G589 PolarHBondContact O-N 2.95Å; L586-N590 PolarHBondContact O-N 3.48Å; L586-V658 HydrophobicContact CD2-CB 4.28Å; L586-V658 HydrophobicContact CD2-CG2 3.85Å; L586-F661 HydrophobicContact CD1-CB 3.85Å; L586-F661 HydrophobicContact CD1-CD1 3.98Å; L586-F661 HydrophobicContact CD1-CD2 3.6Å; L586-F661 HydrophobicContact CD1-CE1 4.41Å; L586-F661 HydrophobicContact CD1-CE2 4.07Å; L586-F661 HydrophobicContact CD1-CG 3.54Å; L586-F661 HydrophobicContact CD1-CZ 4.45Å; L586-F661 HydrophobicContact CD2-CB 4.05Å; L586-F661 HydrophobicContact CD2-CG 4.41Å; L586-F661 HydrophobicContact CG-CB 3.96Å; L586-F661 HydrophobicContact CG-CG 4.22Å; L586-L770 HydrophobicContact CB-CD1 3.64Å; L586-L770 HydrophobicContact CD1-CD1 3.92Å; L586-L770 HydrophobicContact CG-CD1 4.26Å
587	L	94.9	Very high	90	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.1	-40.5	-177.8	-68.4	167.1	0	0	0	112.6	V583 G589 N590 V591 L618 W623 L770 V772 V789	V583-L587 HydrophobicContact CG1-CD1 3.94Å; V583-L587 WeakPolarHBondContact O-CG 3.37Å; V583-L587 PolarHBondContact O-N 2.86Å; L587-G589 VanDerWaalsContact C-N 3.34Å; L587-N590 PolarHBondContact O-N 2.73Å; L587-V591 PolarHBondContact O-N 3.3Å; L587-L618 HydrophobicContact CB-CD1 3.91Å; L587-L618 HydrophobicContact CB-CD2 4.2Å; L587-W623 HydrophobicContact CD1-CH2 3.87Å; L587-W623 HydrophobicContact CD1-CZ2 3.84Å; L587-W623 HydrophobicContact CD1-CZ3 4.3Å; L587-L770 HydrophobicContact CD2-CB 4.16Å; L587-L770 HydrophobicContact CD2-CD1 4.34Å; L587-V772 HydrophobicContact CB-CG2 4.09Å; L587-V772 HydrophobicContact CD2-CG2 4.2Å; L587-V772 WeakPolarHBondContact O-CG2 3.45Å; L587-V789 HydrophobicContact CD1-CG1 3.46Å; L587-V789 VanDerWaalsContact CD1-CG1 3.46Å; L587-V789 HydrophobicContact CD1-CG2 4.34Å; L587-V789 HydrophobicContact CD2-CG1 3.8Å; L587-V789 HydrophobicContact CG-CG1 4.25Å
588	A	91.4	Very high	89	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-68.7	-35.4	177.5	0	0	0	0	0	112.2	K584 G585 L586 N590 V591 F611 A614 K615 L618	K584-A588 WeakPolarHBondContact O-CB 3.39Å; K584-A588 PolarHBondContact O-N 2.85Å; G585-A588 PolarHBondContact O-N 3.29Å; L586-A588 PolarHBondContact O-N 3.46Å; A588-N590 VanDerWaalsContact C-N 3.34Å; A588-V591 WeakPolarHBondContact O-CB 3.45Å; A588-V591 PolarHBondContact O-N 3.44Å; A588-F611 HydrophobicContact CB-CD2 4.14Å; A588-F611 HydrophobicContact CB-CE2 3.84Å; A588-A614 HydrophobicContact CB-CB 4.3Å; A588-K615 HydrophobicContact CB-CB 4.27Å; A588-K615 HydrophobicContact CB-CG 3.4Å; A588-K615 VanDerWaalsContact CB-CG 3.4Å; A588-L618 HydrophobicContact CB-CD1 4.11Å
589	G	88.5	Confident	88.1	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.1	-48.4	171.2	0	0	0	0	0	111.8	G585 L586 L587 V591 F592 D653	G585-G589 PolarHBondContact O-N 2.99Å; L586-G589 PolarHBondContact O-N 2.95Å; L587-G589 VanDerWaalsContact C-N 3.34Å; G589-V591 PolarHBondContact O-N 2.88Å; G589-F592 PolarHBondContact O-N 2.74Å; G589-F592 VanDerWaalsContact O-N 3.1Å; G589-D653 WeakPolarHBondContact O-CB 3.48Å
590	N	91.1	Very high	87	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-60.9	-18	178.7	-166.5	-113.1	0	0	0	114.3	L586 L587 A588 F592 D648 N649 E749 G750 V772 K774	L586-N590 PolarHBondContact O-N 3.48Å; L587-N590 PolarHBondContact O-N 2.73Å; A588-N590 VanDerWaalsContact C-N 3.34Å; N590-F592 PolarHBondContact O-N 3.43Å; N590-D648 PolarHBondContact ND2-OD2 3.03Å; N590-N649 PolarHBondContact ND2-ND2 3.23Å; N590-E749 WeakPolarHBondContact CB-OE1 3.19Å; N590-E749 VanDerWaalsContact CG-OE1 3.29Å; N590-E749 PolarHBondContact ND2-OE1 2.82Å; N590-G750 VanDerWaalsContact ND2-CA 3.31Å; N590-G750 WeakPolarHBondContact ND2-CA 3.39Å; N590-V772 PolarHBondContact OD1-N 3.2Å; N590-K774 WeakPolarHBondContact O-CE 3.2Å; N590-K774 PolarHBondContact O-NZ 3.4Å; N590-K774 WeakPolarHBondContact OD1-CE 3.25Å; N590-K774 PolarHBondContact OD1-NZ 2.94Å
591	V	86.9	Confident	86	Confident	2 Å²	2	22.5 Å²	22.5	1%	0.012	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.9	176.2	179.5	0	0	0	0	111.6	L587 A588 G589 D593 V599 F609 A614 L618 V772 F787	L587-V591 PolarHBondContact O-N 3.3Å; A588-V591 WeakPolarHBondContact O-CB 3.45Å; A588-V591 PolarHBondContact O-N 3.44Å; G589-V591 PolarHBondContact O-N 2.88Å; V591-D593 VanDerWaalsContact C-N 3.31Å; V591-D593 PolarHBondContact O-N 2.65Å; V591-V599 WeakPolarHBondContact O-CG1 3.49Å; V591-V599 WeakPolarHBondContact O-CG2 2.85Å; V591-F609 HydrophobicContact CG1-CE1 4.29Å; V591-F609 HydrophobicContact CG1-CZ 4.06Å; V591-A614 HydrophobicContact CB-CB 4.12Å; V591-A614 HydrophobicContact CG1-CB 4.31Å; V591-A614 HydrophobicContact CG2-CB 4.34Å; V591-L618 HydrophobicContact CG2-CD2 3.96Å; V591-V772 HydrophobicContact CG2-CB 4.41Å; V591-V772 HydrophobicContact CG2-CG1 4.22Å; V591-V772 HydrophobicContact CG2-CG2 4.18Å; V591-F787 HydrophobicContact CG1-CE1 4.17Å
592	F	82.9	Confident	85.1	Confident	6 Å²	6	22.6 Å²	22.6	3%	0.026	13%	0.126	C	C	.	.			trans	-82.6	71.4	-177.9	-65.6	-93.8	0	0	0	112	G589 N590 L603 F609 A614 I652 N683	G589-F592 PolarHBondContact O-N 2.74Å; G589-F592 VanDerWaalsContact O-N 3.1Å; N590-F592 PolarHBondContact O-N 3.43Å; F592-L603 HydrophobicContact CD1-CD2 3.73Å; F592-L603 HydrophobicContact CE1-CD2 3.9Å; F592-F609 HydrophobicContact CD1-CE1 4.41Å; F592-F609 AromaticContact CE1-CD1 3.65Å; F592-F609 HydrophobicContact CE1-CD1 3.65Å; F592-F609 AromaticContact CE1-CE1 3.7Å; F592-F609 HydrophobicContact CE1-CE1 3.7Å; F592-F609 HydrophobicContact CE2-CE1 4.28Å; F592-F609 AromaticContact CZ-CD1 3.87Å; F592-F609 HydrophobicContact CZ-CD1 3.87Å; F592-F609 AromaticContact CZ-CE1 3.6Å; F592-F609 HydrophobicContact CZ-CE1 3.6Å; F592-A614 HydrophobicContact CD2-CB 4.5Å; F592-A614 HydrophobicContact CE2-CB 3.55Å; F592-A614 HydrophobicContact CZ-CB 4Å; F592-I652 HydrophobicContact CD1-CD1 4Å; F592-I652 HydrophobicContact CD2-CB 4.02Å; F592-I652 HydrophobicContact CD2-CD1 4.12Å; F592-I652 HydrophobicContact CD2-CG2 3.88Å; F592-I652 HydrophobicContact CE1-CD1 3.61Å; F592-I652 HydrophobicContact CE2-CB 4.28Å; F592-I652 HydrophobicContact CE2-CD1 3.75Å; F592-I652 HydrophobicContact CE2-CG2 3.83Å; F592-I652 HydrophobicContact CG-CB 4.36Å; F592-I652 HydrophobicContact CG-CD1 4.25Å; F592-I652 HydrophobicContact CZ-CD1 3.5Å; F592-I652 VanDerWaalsContact CZ-CD1 3.5Å; F592-N683 PolarHBondContact O-ND2 2.95Å
593	D	81.9	Confident	84.1	Confident	12 Å²	12	23.7 Å²	23.7	6%	0.064	13%	0.132	C	C	.	.			trans	-123.5	114.7	-177.4	171.6	-7.4	0	0	0	110.6	V591 G595 A596 V599 K774	V591-D593 VanDerWaalsContact C-N 3.31Å; V591-D593 PolarHBondContact O-N 2.65Å; D593-G595 VanDerWaalsContact C-N 3.29Å; D593-G595 PolarHBondContact O-N 2.98Å; D593-G595 VanDerWaalsContact OD1-CA 3.28Å; D593-G595 WeakPolarHBondContact OD1-CA 3.43Å; D593-G595 PolarHBondContact OD1-N 2.9Å; D593-A596 PolarHBondContact O-N 3.1Å; D593-A596 PolarHBondContact OD1-N 3.34Å; D593-V599 WeakPolarHBondContact O-CB 3.21Å; D593-V599 VanDerWaalsContact O-CG1 3.26Å; D593-V599 WeakPolarHBondContact O-CG1 3.17Å; D593-K774 HydrophobicContact CB-CD 3.59Å; D593-K774 WeakPolarHBondContact OD2-CE 3.23Å; D593-K774 IonicContact OD2-NZ 3.7Å; D593-K774 PolarHBondContact OD2-NZ 2.86Å
594	W	79.6	Confident	83.2	Confident	31 Å²	31	28.9 Å²	28.9	12%	0.117	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.4	-177.6	-72.8	84.3	0	0	0	113.6	R487 Y548 V551 E555 A596 L603 E604 N683	R487-W594 VanDerWaalsContact CZ-CE3 3.41Å; R487-W594 VanDerWaalsContact NH1-CE3 3.29Å; Y548-W594 HydrophobicContact CD1-CB 4Å; Y548-W594 HydrophobicContact CD1-CG 4.28Å; Y548-W594 HydrophobicContact CE1-CB 3.55Å; Y548-W594 HydrophobicContact CE1-CG 4.18Å; V551-W594 HydrophobicContact CG1-CD2 4.38Å; V551-W594 HydrophobicContact CG1-CZ2 3.69Å; V551-W594 VanDerWaalsContact CG1-NE1 3.34Å; E555-W594 PolarHBondContact OE1-NE1 3.13Å; W594-A596 VanDerWaalsContact C-N 3.31Å; W594-L603 HydrophobicContact CD2-CD1 4.1Å; W594-L603 HydrophobicContact CG-CD1 4.41Å; W594-L603 HydrophobicContact CH2-CB 3.95Å; W594-L603 HydrophobicContact CZ2-CB 4.01Å; W594-L603 HydrophobicContact CZ2-CD1 4.05Å; W594-L603 HydrophobicContact CZ3-CB 4.35Å; W594-E604 HydrophobicContact CH2-CG 4.29Å; W594-E604 HydrophobicContact CZ3-CG 3.82Å; W594-N683 HydrophobicContact CB-CB 4.45Å; W594-N683 HydrophobicContact CG-CB 4.42Å; W594-N683 PolarHBondContact N-OD1 2.66Å
595	G	70.9	Confident	82.3	Confident	39 Å²	39	29.2 Å²	29.2	40%	0.402	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.9	171.5	0	0	0	0	0	113.4	D593	D593-G595 VanDerWaalsContact C-N 3.29Å; D593-G595 PolarHBondContact O-N 2.98Å; D593-G595 VanDerWaalsContact OD1-CA 3.28Å; D593-G595 WeakPolarHBondContact OD1-CA 3.43Å; D593-G595 PolarHBondContact OD1-N 2.9Å
596	A	76.8	Confident	81.4	Confident	7 Å²	7	31.7 Å²	31.7	6%	0.058	18%	0.182	C	C	.	.	S	Bend	trans	-93.2	119.6	179.8	0	0	0	0	0	112.4	D593 W594 A598 V599 S600 K774	D593-A596 PolarHBondContact O-N 3.1Å; D593-A596 PolarHBondContact OD1-N 3.34Å; W594-A596 VanDerWaalsContact C-N 3.31Å; A596-A598 PolarHBondContact O-N 3.46Å; A596-V599 HydrophobicContact CB-CB 4.2Å; A596-V599 HydrophobicContact CB-CG2 4.11Å; A596-V599 PolarHBondContact O-N 2.89Å; A596-S600 PolarHBondContact O-N 3.1Å; A596-K774 HydrophobicContact CB-CB 3.47Å; A596-K774 VanDerWaalsContact CB-CB 3.47Å; A596-K774 HydrophobicContact CB-CD 4.23Å; A596-K774 HydrophobicContact CB-CG 4.4Å
597	K	78.6	Confident	80.3	Confident	110 Å²	110	36.7 Å²	36.7	48%	0.478	21%	0.214	S	C	.	.	H	α-helix	trans	-50.5	-50.4	-179.5	-173	178.9	-175.8	-177.1	0	113.2	E479 V599 S600 D601	E479-K597 IonicContact OE2-NZ 2.79Å; E479-K597 PolarHBondContact OE2-NZ 3.43Å; K597-V599 PolarHBondContact O-N 2.79Å; K597-S600 PolarHBondContact O-N 3.31Å; K597-D601 VanDerWaalsContact O-CG 3.26Å; K597-D601 PolarHBondContact O-N 2.81Å
598	A	75.6	Confident	79.2	Confident	32 Å²	32	46.8 Å²	46.8	26%	0.264	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-27.5	-177.5	0	0	0	0	0	113.6	A596 V602 L786	A596-A598 PolarHBondContact O-N 3.46Å; A598-V602 WeakPolarHBondContact O-CG2 3.44Å; A598-L786 HydrophobicContact CB-CD1 4.15Å; A598-L786 HydrophobicContact CB-CD2 4.1Å
599	V	78.7	Confident	78.5	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-84.6	-47.7	176.6	173.5	0	0	0	0	110	V591 D593 A596 K597 D601 V602 L603 K774 F787	V591-V599 WeakPolarHBondContact O-CG1 3.49Å; V591-V599 WeakPolarHBondContact O-CG2 2.85Å; D593-V599 WeakPolarHBondContact O-CB 3.21Å; D593-V599 VanDerWaalsContact O-CG1 3.26Å; D593-V599 WeakPolarHBondContact O-CG1 3.17Å; A596-V599 HydrophobicContact CB-CB 4.2Å; A596-V599 HydrophobicContact CB-CG2 4.11Å; A596-V599 PolarHBondContact O-N 2.89Å; K597-V599 PolarHBondContact O-N 2.79Å; V599-D601 VanDerWaalsContact C-N 3.26Å; V599-D601 PolarHBondContact O-N 3.44Å; V599-V602 WeakPolarHBondContact O-CA 3.44Å; V599-V602 WeakPolarHBondContact O-CB 3.49Å; V599-V602 PolarHBondContact O-N 3.07Å; V599-L603 HydrophobicContact CG1-CD1 3.66Å; V599-L603 HydrophobicContact CG1-CG 3.96Å; V599-L603 WeakPolarHBondContact O-CG 3.28Å; V599-L603 PolarHBondContact O-N 2.86Å; V599-K774 HydrophobicContact CG2-CB 3.97Å; V599-K774 HydrophobicContact CG2-CD 3.96Å; V599-K774 HydrophobicContact CG2-CG 3.78Å; V599-F787 HydrophobicContact CG2-CE1 4.16Å
600	S	75.1	Confident	78.1	Confident	10 Å²	10	48.9 Å²	48.9	7%	0.07	27%	0.27	C	S	.	.	H	α-helix	trans	-52.6	-44.9	177.5	-178.1	0	0	0	0	111.7	R487 A596 K597 V602 L603 E604	R487-S600 PolarHBondContact NH2-OG 3.01Å; A596-S600 PolarHBondContact O-N 3.1Å; K597-S600 PolarHBondContact O-N 3.31Å; S600-V602 VanDerWaalsContact C-N 3.28Å; S600-V602 PolarHBondContact O-N 2.88Å; S600-L603 PolarHBondContact O-N 3.32Å; S600-E604 WeakPolarHBondContact O-CB 3.33Å; S600-E604 VanDerWaalsContact O-CG 3.29Å; S600-E604 WeakPolarHBondContact O-CG 3.24Å; S600-E604 PolarHBondContact O-N 3.29Å; S600-E604 PolarHBondContact OG-OE1 3.3Å
601	D	77.4	Confident	77.8	Confident	86 Å²	86	49.8 Å²	49.8	46%	0.46	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-38.6	178.2	-67.9	-18.2	0	0	0	111.7	K597 V599 S605	K597-D601 VanDerWaalsContact O-CG 3.26Å; K597-D601 PolarHBondContact O-N 2.81Å; V599-D601 VanDerWaalsContact C-N 3.26Å; V599-D601 PolarHBondContact O-N 3.44Å; D601-S605 VanDerWaalsContact O-CB 3.27Å; D601-S605 WeakPolarHBondContact O-CB 3.16Å; D601-S605 PolarHBondContact O-N 2.7Å; D601-S605 VanDerWaalsContact O-N 3.09Å; D601-S605 PolarHBondContact O-OG 2.83Å
602	V	77.4	Confident	77.6	Confident	31 Å²	31	55.2 Å²	55.2	19%	0.188	30%	0.3	C	S	.	.	H	α-helix	trans	-70	-46.7	177	173.1	0	0	0	0	110.8	A598 V599 S600 E604 S605 D606 F609	A598-V602 WeakPolarHBondContact O-CG2 3.44Å; V599-V602 WeakPolarHBondContact O-CA 3.44Å; V599-V602 WeakPolarHBondContact O-CB 3.49Å; V599-V602 PolarHBondContact O-N 3.07Å; S600-V602 VanDerWaalsContact C-N 3.28Å; S600-V602 PolarHBondContact O-N 2.88Å; V602-E604 VanDerWaalsContact C-N 3.25Å; V602-E604 PolarHBondContact O-N 2.74Å; V602-S605 PolarHBondContact O-N 3.12Å; V602-S605 PolarHBondContact O-OG 2.93Å; V602-D606 PolarHBondContact O-N 2.92Å; V602-F609 HydrophobicContact CG1-CB 4.21Å; V602-F609 HydrophobicContact CG1-CD1 4.23Å; V602-F609 HydrophobicContact CG1-CD2 3.84Å; V602-F609 HydrophobicContact CG1-CE2 4.3Å; V602-F609 HydrophobicContact CG1-CG 3.81Å
603	L	76.4	Confident	77.6	Confident	29 Å²	29	58.2 Å²	58.2	15%	0.152	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-29.8	-179.7	-65.4	178.4	0	0	0	112.5	F592 W594 V599 S600 F609	F592-L603 HydrophobicContact CD1-CD2 3.73Å; F592-L603 HydrophobicContact CE1-CD2 3.9Å; W594-L603 HydrophobicContact CD2-CD1 4.1Å; W594-L603 HydrophobicContact CG-CD1 4.41Å; W594-L603 HydrophobicContact CH2-CB 3.95Å; W594-L603 HydrophobicContact CZ2-CB 4.01Å; W594-L603 HydrophobicContact CZ2-CD1 4.05Å; W594-L603 HydrophobicContact CZ3-CB 4.35Å; V599-L603 HydrophobicContact CG1-CD1 3.66Å; V599-L603 HydrophobicContact CG1-CG 3.96Å; V599-L603 WeakPolarHBondContact O-CG 3.28Å; V599-L603 PolarHBondContact O-N 2.86Å; S600-L603 PolarHBondContact O-N 3.32Å; L603-F609 HydrophobicContact CD2-CD1 3.69Å; L603-F609 HydrophobicContact CD2-CE1 4.25Å
604	E	77.4	Confident	77.7	Confident	111 Å²	111	57.7 Å²	57.7	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-79.8	-34.1	176.1	-72.1	178.1	-173.1	0	0	113	R487 W594 S600 V602	R487-E604 IonicContact CZ-OE1 2.97Å; R487-E604 VanDerWaalsContact CZ-OE1 3.28Å; R487-E604 IonicContact NH1-OE1 3.74Å; R487-E604 PolarHBondContact NH1-OE1 3.15Å; R487-E604 IonicContact NH2-OE1 3.62Å; R487-E604 PolarHBondContact NH2-OE1 2.84Å; W594-E604 HydrophobicContact CH2-CG 4.29Å; W594-E604 HydrophobicContact CZ3-CG 3.82Å; S600-E604 WeakPolarHBondContact O-CB 3.33Å; S600-E604 VanDerWaalsContact O-CG 3.29Å; S600-E604 WeakPolarHBondContact O-CG 3.24Å; S600-E604 PolarHBondContact O-N 3.29Å; S600-E604 PolarHBondContact OG-OE1 3.3Å; V602-E604 VanDerWaalsContact C-N 3.25Å; V602-E604 PolarHBondContact O-N 2.74Å
605	S	76.9	Confident	78	Confident	94 Å²	94	59.1 Å²	59.1	66%	0.657	32%	0.318	S	S	*	.	H	α-helix	trans	-93	-26.9	-174.6	60	0	0	0	0	114.7	D601 V602	D601-S605 VanDerWaalsContact O-CB 3.27Å; D601-S605 WeakPolarHBondContact O-CB 3.16Å; D601-S605 PolarHBondContact O-N 2.7Å; D601-S605 VanDerWaalsContact O-N 3.09Å; D601-S605 PolarHBondContact O-OG 2.83Å; V602-S605 PolarHBondContact O-N 3.12Å; V602-S605 PolarHBondContact O-OG 2.93Å
606	D	77.3	Confident	78.8	Confident	58 Å²	58	66.7 Å²	66.7	31%	0.31	33%	0.334	S	S	.	.			trans	-120.4	96.4	-175.9	-173.2	1.2	0	0	0	112	V602 Y608 F609	V602-D606 PolarHBondContact O-N 2.92Å; D606-Y608 PolarHBondContact O-N 3.06Å; D606-Y608 WeakPolarHBondContact OD1-CA 3.35Å; D606-Y608 WeakPolarHBondContact OD1-CB 3.38Å; D606-Y608 PolarHBondContact OD1-N 3.33Å; D606-F609 HydrophobicContact CB-CB 4.22Å; D606-F609 PolarHBondContact O-N 2.83Å; D606-F609 PolarHBondContact OD1-N 2.93Å
607	P	70.4	Confident	79.2	Confident	108 Å²	108	69.5 Å²	69.5	70%	0.701	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-9.8	177.8	29	-34.5	0	0	0	113.7
608	Y	72.2	Confident	79.7	Confident	212 Å²	212	65 Å²	65	83%	0.831	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-5	177.7	-58.3	-77.2	0	0	0	113	D606 G610	D606-Y608 PolarHBondContact O-N 3.06Å; D606-Y608 WeakPolarHBondContact OD1-CA 3.35Å; D606-Y608 WeakPolarHBondContact OD1-CB 3.38Å; D606-Y608 PolarHBondContact OD1-N 3.33Å; Y608-G610 PolarHBondContact O-N 3.15Å; Y608-G610 VanDerWaalsContact O-N 3.13Å
609	F	76.5	Confident	80.5	Confident	20 Å²	20	65.1 Å²	65.1	9%	0.088	32%	0.321	C	S	.	.			trans	-63.7	116.2	175.9	-172.7	-98.9	0	0	0	110.2	V591 F592 V602 L603 D606 E613 A614 K617	V591-F609 HydrophobicContact CG1-CE1 4.29Å; V591-F609 HydrophobicContact CG1-CZ 4.06Å; F592-F609 HydrophobicContact CD1-CE1 4.41Å; F592-F609 AromaticContact CE1-CD1 3.65Å; F592-F609 HydrophobicContact CE1-CD1 3.65Å; F592-F609 AromaticContact CE1-CE1 3.7Å; F592-F609 HydrophobicContact CE1-CE1 3.7Å; F592-F609 HydrophobicContact CE2-CE1 4.28Å; F592-F609 AromaticContact CZ-CD1 3.87Å; F592-F609 HydrophobicContact CZ-CD1 3.87Å; F592-F609 AromaticContact CZ-CE1 3.6Å; F592-F609 HydrophobicContact CZ-CE1 3.6Å; V602-F609 HydrophobicContact CG1-CB 4.21Å; V602-F609 HydrophobicContact CG1-CD1 4.23Å; V602-F609 HydrophobicContact CG1-CD2 3.84Å; V602-F609 HydrophobicContact CG1-CE2 4.3Å; V602-F609 HydrophobicContact CG1-CG 3.81Å; L603-F609 HydrophobicContact CD2-CD1 3.69Å; L603-F609 HydrophobicContact CD2-CE1 4.25Å; D606-F609 HydrophobicContact CB-CB 4.22Å; D606-F609 PolarHBondContact O-N 2.83Å; D606-F609 PolarHBondContact OD1-N 2.93Å; F609-E613 HydrophobicContact CD2-CB 4.11Å; F609-E613 HydrophobicContact CD2-CG 3.72Å; F609-E613 HydrophobicContact CE2-CB 4.12Å; F609-E613 HydrophobicContact CE2-CG 3.75Å; F609-A614 HydrophobicContact CE1-CB 4.19Å; F609-A614 HydrophobicContact CZ-CB 3.82Å; F609-K617 HydrophobicContact CE2-CD 3.74Å; F609-K617 HydrophobicContact CZ-CD 4.21Å
610	G	81	Confident	81.2	Confident	25 Å²	25	73.1 Å²	73.1	26%	0.258	36%	0.359	S	S	.	.			trans	-138.8	-179.9	-173.5	0	0	0	0	0	112.9	Y608 E612 E613 A614	Y608-G610 PolarHBondContact O-N 3.15Å; Y608-G610 VanDerWaalsContact O-N 3.13Å; G610-E612 VanDerWaalsContact C-N 3.31Å; G610-E612 PolarHBondContact O-N 2.87Å; G610-E613 PolarHBondContact O-N 3.37Å; G610-A614 PolarHBondContact O-N 3.07Å
611	F	83.3	Confident	82.2	Confident	20 Å²	20	77.2 Å²	77.2	9%	0.088	37%	0.372	C	S	.	.	H	α-helix	trans	-54.4	-40.8	-170.6	-174.2	-132.4	0	0	0	114.4	V566 A588 A614 K615 I652 L656	V566-F611 HydrophobicContact CG1-CE1 4.4Å; V566-F611 HydrophobicContact CG2-CD1 4.42Å; V566-F611 HydrophobicContact CG2-CE1 4.2Å; A588-F611 HydrophobicContact CB-CD2 4.14Å; A588-F611 HydrophobicContact CB-CE2 3.84Å; F611-A614 PolarHBondContact O-N 3.33Å; F611-K615 PolarHBondContact O-N 2.64Å; F611-K615 VanDerWaalsContact O-N 3.09Å; F611-I652 HydrophobicContact CB-CD1 4.5Å; F611-I652 HydrophobicContact CB-CG2 4.11Å; F611-I652 HydrophobicContact CD2-CG2 3.27Å; F611-I652 HydrophobicContact CE2-CG2 3.84Å; F611-I652 HydrophobicContact CG-CG2 3.94Å; F611-L656 HydrophobicContact CB-CD1 4.43Å; F611-L656 HydrophobicContact CD1-CB 4.45Å; F611-L656 HydrophobicContact CD1-CD1 4.15Å; F611-L656 HydrophobicContact CE1-CB 4.04Å; F611-L656 HydrophobicContact CE2-CB 4.17Å; F611-L656 HydrophobicContact CG-CD1 4.23Å; F611-L656 HydrophobicContact CZ-CB 3.88Å
612	E	83.8	Confident	83	Confident	116 Å²	116	78 Å²	78	54%	0.542	38%	0.382	S	S	.	.	H	α-helix	trans	-70.5	-35.6	178.6	-66.9	-55.2	132.7	0	0	112.8	G610 K615 R616	G610-E612 VanDerWaalsContact C-N 3.31Å; G610-E612 PolarHBondContact O-N 2.87Å; E612-K615 WeakPolarHBondContact O-CB 3.28Å; E612-K615 PolarHBondContact O-N 3.15Å; E612-K615 IonicContact OE1-NZ 3.01Å; E612-K615 PolarHBondContact OE1-NZ 3.29Å; E612-K615 IonicContact OE2-NZ 3.83Å; E612-R616 WeakPolarHBondContact O-CG 3.48Å; E612-R616 PolarHBondContact O-N 2.96Å; E612-R616 VanDerWaalsContact O-N 3.16Å
613	E	83.2	Confident	84	Confident	69 Å²	69	77.1 Å²	77.1	32%	0.322	38%	0.376	S	S	.	.	H	α-helix	trans	-70.4	-36.6	175.7	-172.3	57.3	-156.9	0	0	111	F609 G610 K615 R616 K617	F609-E613 HydrophobicContact CD2-CB 4.11Å; F609-E613 HydrophobicContact CD2-CG 3.72Å; F609-E613 HydrophobicContact CE2-CB 4.12Å; F609-E613 HydrophobicContact CE2-CG 3.75Å; G610-E613 PolarHBondContact O-N 3.37Å; E613-K615 VanDerWaalsContact C-N 3.34Å; E613-K615 PolarHBondContact O-N 2.86Å; E613-R616 PolarHBondContact O-N 3.37Å; E613-R616 VanDerWaalsContact O-N 3.15Å; E613-R616 IonicContact OE2-NH1 3.19Å; E613-R616 PolarHBondContact OE2-NH1 2.91Å; E613-K617 PolarHBondContact O-N 3.25Å; E613-K617 VanDerWaalsContact O-N 3.1Å
614	A	83.8	Confident	85	Confident	0 Å²	0	78 Å²	78	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-58.9	-43.8	171.3	0	0	0	0	0	112	A588 V591 F592 F609 G610 F611 R616 K617 L618	A588-A614 HydrophobicContact CB-CB 4.3Å; V591-A614 HydrophobicContact CB-CB 4.12Å; V591-A614 HydrophobicContact CG1-CB 4.31Å; V591-A614 HydrophobicContact CG2-CB 4.34Å; F592-A614 HydrophobicContact CD2-CB 4.5Å; F592-A614 HydrophobicContact CE2-CB 3.55Å; F592-A614 HydrophobicContact CZ-CB 4Å; F609-A614 HydrophobicContact CE1-CB 4.19Å; F609-A614 HydrophobicContact CZ-CB 3.82Å; G610-A614 PolarHBondContact O-N 3.07Å; F611-A614 PolarHBondContact O-N 3.33Å; A614-R616 VanDerWaalsContact C-N 3.29Å; A614-R616 PolarHBondContact O-N 3.24Å; A614-K617 PolarHBondContact O-N 2.94Å; A614-L618 PolarHBondContact O-N 3.05Å
615	K	85.4	Confident	85.9	Confident	61 Å²	61	74.1 Å²	74.1	27%	0.265	36%	0.364	S	S	.	.	H	α-helix	trans	-58.8	-38.7	173.9	-73	174.7	-175.4	167.6	0	112.8	A588 F611 E612 E613 K617 L618	A588-K615 HydrophobicContact CB-CB 4.27Å; A588-K615 HydrophobicContact CB-CG 3.4Å; A588-K615 VanDerWaalsContact CB-CG 3.4Å; F611-K615 PolarHBondContact O-N 2.64Å; F611-K615 VanDerWaalsContact O-N 3.09Å; E612-K615 WeakPolarHBondContact O-CB 3.28Å; E612-K615 PolarHBondContact O-N 3.15Å; E612-K615 IonicContact OE1-NZ 3.01Å; E612-K615 PolarHBondContact OE1-NZ 3.29Å; E612-K615 IonicContact OE2-NZ 3.83Å; E613-K615 VanDerWaalsContact C-N 3.34Å; E613-K615 PolarHBondContact O-N 2.86Å; K615-K617 VanDerWaalsContact C-N 3.32Å; K615-L618 WeakPolarHBondContact O-CB 3.28Å; K615-L618 PolarHBondContact O-N 3.49Å
616	R	87.1	Confident	86.9	Confident	198 Å²	198	71.4 Å²	71.4	75%	0.747	34%	0.342	S	S	*	.	H	α-helix	trans	-71	-26.3	179.4	-69	178.9	76	-160.5	7.6	113.3	E612 E613 A614 L618	E612-R616 WeakPolarHBondContact O-CG 3.48Å; E612-R616 PolarHBondContact O-N 2.96Å; E612-R616 VanDerWaalsContact O-N 3.16Å; E613-R616 PolarHBondContact O-N 3.37Å; E613-R616 VanDerWaalsContact O-N 3.15Å; E613-R616 IonicContact OE2-NH1 3.19Å; E613-R616 PolarHBondContact OE2-NH1 2.91Å; A614-R616 VanDerWaalsContact C-N 3.29Å; A614-R616 PolarHBondContact O-N 3.24Å; R616-L618 VanDerWaalsContact C-N 3.34Å
617	K	86.4	Confident	87.9	Confident	66 Å²	66	69.7 Å²	69.7	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-78.4	-16.4	175.1	-72	-171	-179.6	174.7	0	113.7	F609 E613 A614 K615 F787	F609-K617 HydrophobicContact CE2-CD 3.74Å; F609-K617 HydrophobicContact CZ-CD 4.21Å; E613-K617 PolarHBondContact O-N 3.25Å; E613-K617 VanDerWaalsContact O-N 3.1Å; A614-K617 PolarHBondContact O-N 2.94Å; K615-K617 VanDerWaalsContact C-N 3.32Å; K617-F787 HydrophobicContact CD-CE2 4.35Å; K617-F787 WeakPolarHBondContact O-CB 3.46Å
618	L	89.4	Confident	89.2	Confident	16 Å²	16	64.9 Å²	64.9	8%	0.084	30%	0.303	C	S	.	.	S	Bend	trans	-61.6	142.6	177.2	-62.9	179.8	0	0	0	110.9	L587 A588 V591 A614 K615 R616 E620 V772 V789	L587-L618 HydrophobicContact CB-CD1 3.91Å; L587-L618 HydrophobicContact CB-CD2 4.2Å; A588-L618 HydrophobicContact CB-CD1 4.11Å; V591-L618 HydrophobicContact CG2-CD2 3.96Å; A614-L618 PolarHBondContact O-N 3.05Å; K615-L618 WeakPolarHBondContact O-CB 3.28Å; K615-L618 PolarHBondContact O-N 3.49Å; R616-L618 VanDerWaalsContact C-N 3.34Å; L618-E620 PolarHBondContact O-N 3.13Å; L618-V772 HydrophobicContact CD2-CG1 4.36Å; L618-V772 HydrophobicContact CD2-CG2 3.59Å; L618-V789 HydrophobicContact CB-CG2 4.45Å; L618-V789 HydrophobicContact CD2-CG2 4.24Å
619	Q	92.3	Very high	90.5	Very high	35 Å²	35	58.1 Å²	58.1	16%	0.164	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-54.1	130	169	-177.4	-174.8	2.1	0	0	110.6	P622 W623 L624 F787 S788 V789	Q619-P622 PolarHBondContact NE2-O 3.17Å; Q619-W623 PolarHBondContact O-NE1 3.03Å; Q619-L624 VanDerWaalsContact OE1-N 3.12Å; Q619-F787 PolarHBondContact N-O 2.66Å; Q619-S788 VanDerWaalsContact OE1-CA 3.28Å; Q619-V789 HydrophobicContact CB-CG2 4.18Å
620	E	93.1	Very high	91.5	Very high	171 Å²	171	62.2 Å²	62.2	80%	0.799	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-68.5	148.8	167.8	-66.5	-169.9	158.4	0	0	110.6	L618 P622	L618-E620 PolarHBondContact O-N 3.13Å; E620-P622 CarbonylContact O-C 3.5Å
621	R	95.1	Very high	92.3	Very high	95 Å²	95	61.1 Å²	61.1	36%	0.358	29%	0.294	S	S	.	.	S	Bend	trans	-64.8	143.4	178.2	-67.5	-177.5	67.8	-151.5	4.6	110.7	W623 D626 Y628 S629	R621-W623 HydrophobicContact CG-CD2 3.82Å; R621-W623 HydrophobicContact CG-CE3 4.47Å; R621-W623 HydrophobicContact CG-CG 4.06Å; R621-W623 HydrophobicContact CG-CZ2 3.97Å; R621-D626 WeakPolarHBondContact CG-OD2 3.46Å; R621-D626 IonicContact CZ-OD1 3.44Å; R621-D626 IonicContact CZ-OD2 3.66Å; R621-D626 IonicContact NE-OD1 3.78Å; R621-D626 PolarHBondContact NE-OD1 3.02Å; R621-D626 IonicContact NE-OD2 2.85Å; R621-D626 PolarHBondContact NE-OD2 3.49Å; R621-D626 IonicContact NH2-OD1 2.85Å; R621-D626 PolarHBondContact NH2-OD1 2.94Å; R621-D626 IonicContact NH2-OD2 3.59Å; R621-Y628 VanDerWaalsContact NH1-CD1 3.3Å; R621-S629 PolarHBondContact NH2-OG 3.08Å
622	P	95.5	Very high	93	Very high	103 Å²	103	61.3 Å²	61.3	67%	0.669	30%	0.296	S	S	*	.	S	Bend	cis	-72	133.6	4.6	29.9	-34.7	0	0	0	112.5	Q619 E620 D626	Q619-P622 PolarHBondContact NE2-O 3.17Å; E620-P622 CarbonylContact O-C 3.5Å; P622-D626 WeakPolarHBondContact CA-OD2 3.41Å
623	W	97.3	Very high	93.6	Very high	12 Å²	12	61.6 Å²	61.6	5%	0.045	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-68.5	163.7	171.5	-64.1	-35.2	0	0	0	111.3	L580 V583 K584 L587 Q619 R621 V625 D626 Y628 V789 F791	L580-W623 HydrophobicContact CD1-CH2 4.26Å; V583-W623 HydrophobicContact CG1-CH2 3.52Å; V583-W623 HydrophobicContact CG1-CZ3 3.93Å; K584-W623 HydrophobicContact CG-CZ2 4.44Å; L587-W623 HydrophobicContact CD1-CH2 3.87Å; L587-W623 HydrophobicContact CD1-CZ2 3.84Å; L587-W623 HydrophobicContact CD1-CZ3 4.3Å; Q619-W623 PolarHBondContact O-NE1 3.03Å; R621-W623 HydrophobicContact CG-CD2 3.82Å; R621-W623 HydrophobicContact CG-CE3 4.47Å; R621-W623 HydrophobicContact CG-CG 4.06Å; R621-W623 HydrophobicContact CG-CZ2 3.97Å; W623-V625 VanDerWaalsContact C-N 3.25Å; W623-V625 PolarHBondContact O-N 2.93Å; W623-D626 HydrophobicContact CB-CB 3.87Å; W623-D626 PolarHBondContact N-OD2 3.38Å; W623-Y628 HydrophobicContact CH2-CD2 4.4Å; W623-Y628 HydrophobicContact CZ3-CD2 4.32Å; W623-Y628 HydrophobicContact CZ3-CG 4.26Å; W623-V789 HydrophobicContact CB-CB 3.86Å; W623-V789 HydrophobicContact CB-CG1 3.9Å; W623-V789 HydrophobicContact CD2-CB 4.08Å; W623-V789 HydrophobicContact CD2-CG1 3.46Å; W623-V789 VanDerWaalsContact CD2-CG1 3.46Å; W623-V789 HydrophobicContact CE3-CG1 3.88Å; W623-V789 HydrophobicContact CG-CB 3.58Å; W623-V789 HydrophobicContact CG-CG1 3.48Å; W623-V789 VanDerWaalsContact CG-CG1 3.48Å; W623-V789 HydrophobicContact CG-CG2 4.41Å; W623-F791 HydrophobicContact CE3-CB 3.45Å; W623-F791 VanDerWaalsContact CE3-CB 3.45Å; W623-F791 HydrophobicContact CE3-CG 4.04Å; W623-F791 HydrophobicContact CZ3-CB 3.57Å; W623-F791 HydrophobicContact CZ3-CD1 4.24Å; W623-F791 AromaticContact CZ3-CD2 3.92Å; W623-F791 HydrophobicContact CZ3-CD2 3.92Å; W623-F791 AromaticContact CZ3-CG 3.63Å; W623-F791 HydrophobicContact CZ3-CG 3.63Å
624	L	96.8	Very high	94.3	Very high	47 Å²	47	60.8 Å²	60.8	25%	0.246	29%	0.291	C	S	.	.	S	Bend	trans	-57.6	-41.8	178.8	179.2	64.1	0	0	0	111.6	Q619 L782 V789	Q619-L624 VanDerWaalsContact OE1-N 3.12Å; L624-L782 HydrophobicContact CD2-CB 3.91Å; L624-V789 WeakPolarHBondContact CB-O 3.16Å; L624-V789 PolarHBondContact N-O 2.81Å
625	V	97.7	Very high	94.9	Very high	31 Å²	31	61 Å²	61	19%	0.188	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.7	161.1	-176.9	0	0	0	0	106.6	W623 V789 I790 F791 K792	W623-V625 VanDerWaalsContact C-N 3.25Å; W623-V625 PolarHBondContact O-N 2.93Å; V625-V789 PolarHBondContact N-O 2.82Å; V625-I790 HydrophobicContact CB-CG2 4.13Å; V625-I790 HydrophobicContact CG2-CG1 4.27Å; V625-I790 HydrophobicContact CG2-CG2 4.32Å; V625-F791 CarbonylContact O-C 3.59Å; V625-F791 PolarHBondContact O-N 2.7Å; V625-K792 HydrophobicContact CG1-CB 3.85Å; V625-K792 HydrophobicContact CG1-CG 4.05Å
626	D	97.9	Very high	95.4	Very high	37 Å²	37	63.2 Å²	63.2	20%	0.198	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	83.2	-172.7	-164.5	-33	0	0	0	110.7	R621 P622 W623 Y628	R621-D626 WeakPolarHBondContact CG-OD2 3.46Å; R621-D626 IonicContact CZ-OD1 3.44Å; R621-D626 IonicContact CZ-OD2 3.66Å; R621-D626 IonicContact NE-OD1 3.78Å; R621-D626 PolarHBondContact NE-OD1 3.02Å; R621-D626 IonicContact NE-OD2 2.85Å; R621-D626 PolarHBondContact NE-OD2 3.49Å; R621-D626 IonicContact NH2-OD1 2.85Å; R621-D626 PolarHBondContact NH2-OD1 2.94Å; R621-D626 IonicContact NH2-OD2 3.59Å; P622-D626 WeakPolarHBondContact CA-OD2 3.41Å; W623-D626 HydrophobicContact CB-CB 3.87Å; W623-D626 PolarHBondContact N-OD2 3.38Å; D626-Y628 VanDerWaalsContact C-N 3.31Å; D626-Y628 WeakPolarHBondContact OD1-CB 3.43Å; D626-Y628 PolarHBondContact OD1-N 3.16Å
627	S	98.1	Very high	95.9	Very high	22 Å²	22	55.4 Å²	55.4	15%	0.154	28%	0.283	C	S	.	.			trans	-96.2	22.5	171.1	-50.1	0	0	0	0	112.4	S629 E630 W631 F791 Y793	S627-S629 VanDerWaalsContact C-N 3.33Å; S627-S629 PolarHBondContact O-N 3.29Å; S627-E630 WeakPolarHBondContact CA-OE2 3.4Å; S627-W631 WeakPolarHBondContact O-CB 3.3Å; S627-W631 PolarHBondContact O-N 2.99Å; S627-W631 VanDerWaalsContact O-N 3.08Å; S627-F791 WeakPolarHBondContact CB-O 3.19Å; S627-F791 PolarHBondContact N-O 3.13Å; S627-F791 PolarHBondContact OG-O 3.4Å; S627-Y793 VanDerWaalsContact CB-N 3.3Å; S627-Y793 PolarHBondContact OG-N 3.42Å
628	Y	98.1	Very high	96.4	Very high	6 Å²	6	56.9 Å²	56.9	2%	0.024	30%	0.299	C	S	.	.	H	α-helix	trans	-68.2	-35.5	-174.3	173.4	-93.8	0	0	0	112	L580 V583 R621 W623 D626 W631 L632 F791	L580-Y628 VanDerWaalsContact CA-OH 3.25Å; L580-Y628 WeakPolarHBondContact CA-OH 3.36Å; L580-Y628 HydrophobicContact CB-CE1 4.5Å; L580-Y628 HydrophobicContact CB-CE2 4.41Å; L580-Y628 VanDerWaalsContact CB-OH 3.3Å; L580-Y628 WeakPolarHBondContact CB-OH 2.85Å; L580-Y628 HydrophobicContact CD1-CD1 4.32Å; L580-Y628 HydrophobicContact CD1-CD2 4.28Å; L580-Y628 HydrophobicContact CD1-CE1 3.91Å; L580-Y628 HydrophobicContact CD1-CE2 3.88Å; L580-Y628 HydrophobicContact CD1-CG 4.48Å; L580-Y628 PolarHBondContact N-OH 3.3Å; V583-Y628 HydrophobicContact CB-CD2 4.37Å; V583-Y628 HydrophobicContact CB-CE2 4.24Å; V583-Y628 HydrophobicContact CG1-CD2 4.31Å; V583-Y628 HydrophobicContact CG2-CD2 4.09Å; V583-Y628 HydrophobicContact CG2-CE2 3.9Å; R621-Y628 VanDerWaalsContact NH1-CD1 3.3Å; W623-Y628 HydrophobicContact CH2-CD2 4.4Å; W623-Y628 HydrophobicContact CZ3-CD2 4.32Å; W623-Y628 HydrophobicContact CZ3-CG 4.26Å; D626-Y628 VanDerWaalsContact C-N 3.31Å; D626-Y628 WeakPolarHBondContact OD1-CB 3.43Å; D626-Y628 PolarHBondContact OD1-N 3.16Å; Y628-W631 PolarHBondContact O-N 3.44Å; Y628-L632 HydrophobicContact CE1-CB 4.24Å; Y628-L632 HydrophobicContact CE1-CD2 4.05Å; Y628-L632 WeakPolarHBondContact O-CB 2.96Å; Y628-L632 PolarHBondContact O-N 3.45Å; Y628-F791 HydrophobicContact CD2-CE1 4.36Å; Y628-F791 HydrophobicContact CD2-CZ 4.31Å
629	S	97.9	Very high	96.8	Very high	70 Å²	70	59.2 Å²	59.2	49%	0.49	32%	0.315	S	S	.	.	H	α-helix	trans	-66.1	-41.6	-178.9	-59.4	0	0	0	0	111.1	R621 S627 L632 Q633	R621-S629 PolarHBondContact NH2-OG 3.08Å; S627-S629 VanDerWaalsContact C-N 3.33Å; S627-S629 PolarHBondContact O-N 3.29Å; S629-L632 PolarHBondContact O-N 3.39Å; S629-Q633 WeakPolarHBondContact O-CB 3.45Å; S629-Q633 PolarHBondContact O-N 3.26Å
630	E	98	Very high	97.1	Very high	106 Å²	106	57.6 Å²	57.6	50%	0.495	31%	0.308	S	S	.	.	H	α-helix	trans	-63.7	-45.1	174.1	-63.6	82.6	174.6	0	0	111	S627 Q633 R634 Y793	S627-E630 WeakPolarHBondContact CA-OE2 3.4Å; E630-Q633 PolarHBondContact O-N 3.45Å; E630-R634 PolarHBondContact O-N 3.47Å; E630-Y793 HydrophobicContact CB-CD1 4.01Å
631	W	97.9	Very high	97.3	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.008	29%	0.294	C	S	.	.	H	α-helix	trans	-60.5	-46.8	175.1	173.3	-110.9	0	0	0	112.4	S627 Y628 Q633 R634 L635 F661 L745 L768 F791 Y793	S627-W631 WeakPolarHBondContact O-CB 3.3Å; S627-W631 PolarHBondContact O-N 2.99Å; S627-W631 VanDerWaalsContact O-N 3.08Å; Y628-W631 PolarHBondContact O-N 3.44Å; W631-Q633 VanDerWaalsContact C-N 3.27Å; W631-Q633 PolarHBondContact O-N 2.83Å; W631-R634 WeakPolarHBondContact O-CB 3.41Å; W631-R634 PolarHBondContact O-N 3.2Å; W631-R634 VanDerWaalsContact O-N 3.14Å; W631-L635 HydrophobicContact CD2-CD1 4.34Å; W631-L635 HydrophobicContact CD2-CG 4.17Å; W631-L635 HydrophobicContact CG-CD1 4.48Å; W631-L635 HydrophobicContact CH2-CD2 3.92Å; W631-L635 HydrophobicContact CH2-CG 4.49Å; W631-L635 HydrophobicContact CZ2-CD1 3.98Å; W631-L635 HydrophobicContact CZ2-CD2 3.62Å; W631-L635 HydrophobicContact CZ2-CG 3.96Å; W631-L635 VanDerWaalsContact NE1-CD1 3.29Å; W631-L635 WeakPolarHBondContact O-CB 3.43Å; W631-L635 WeakPolarHBondContact O-CG 3.48Å; W631-L635 PolarHBondContact O-N 3.16Å; W631-F661 HydrophobicContact CZ2-CE2 4.18Å; W631-F661 AromaticContact CZ2-CZ 3.94Å; W631-F661 HydrophobicContact CZ2-CZ 3.94Å; W631-L745 HydrophobicContact CH2-CD1 4.38Å; W631-L745 HydrophobicContact CH2-CD2 3.77Å; W631-L745 HydrophobicContact CZ3-CD1 4.15Å; W631-L745 HydrophobicContact CZ3-CD2 4.32Å; W631-L768 HydrophobicContact CD2-CD2 4.49Å; W631-L768 HydrophobicContact CZ2-CD2 4.26Å; W631-F791 HydrophobicContact CB-CE1 3.71Å; W631-F791 HydrophobicContact CB-CZ 4.11Å; W631-F791 AromaticContact CD1-CZ 3.56Å; W631-F791 HydrophobicContact CD2-CZ 4.5Å; W631-F791 AromaticContact CG-CE1 3.92Å; W631-F791 HydrophobicContact CG-CE1 3.92Å; W631-F791 AromaticContact CG-CZ 3.79Å; W631-F791 HydrophobicContact CG-CZ 3.79Å; W631-Y793 HydrophobicContact CB-CD1 4.43Å; W631-Y793 HydrophobicContact CB-CG 4.26Å; W631-Y793 AromaticContact CE3-CD2 3.54Å; W631-Y793 HydrophobicContact CE3-CD2 3.54Å; W631-Y793 AromaticContact CE3-CE2 3.64Å; W631-Y793 HydrophobicContact CE3-CE2 3.64Å; W631-Y793 HydrophobicContact CE3-CG 4.09Å; W631-Y793 HydrophobicContact CZ3-CD2 4.05Å; W631-Y793 AromaticContact CZ3-CE2 3.87Å; W631-Y793 HydrophobicContact CZ3-CE2 3.87Å
632	L	97.9	Very high	97.5	Very high	25 Å²	25	50.6 Å²	50.6	13%	0.131	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-40.1	177.6	-177.3	64.7	0	0	0	111.1	W575 Q579 Y628 S629 L635 K636	W575-L632 HydrophobicContact CH2-CD1 3.91Å; W575-L632 HydrophobicContact CZ3-CD1 3.77Å; Q579-L632 HydrophobicContact CB-CD1 3.81Å; Q579-L632 HydrophobicContact CG-CD1 3.78Å; Y628-L632 HydrophobicContact CE1-CB 4.24Å; Y628-L632 HydrophobicContact CE1-CD2 4.05Å; Y628-L632 WeakPolarHBondContact O-CB 2.96Å; Y628-L632 PolarHBondContact O-N 3.45Å; S629-L632 PolarHBondContact O-N 3.39Å; L632-L635 PolarHBondContact O-N 3.18Å; L632-K636 PolarHBondContact O-N 2.97Å
633	Q	97.8	Very high	97.6	Very high	122 Å²	122	45.7 Å²	45.7	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-65.5	-42.6	174.9	-175.1	57.9	30.5	0	0	111.5	S629 E630 W631 L635 K636	S629-Q633 WeakPolarHBondContact O-CB 3.45Å; S629-Q633 PolarHBondContact O-N 3.26Å; E630-Q633 PolarHBondContact O-N 3.45Å; W631-Q633 VanDerWaalsContact C-N 3.27Å; W631-Q633 PolarHBondContact O-N 2.83Å; Q633-L635 VanDerWaalsContact C-N 3.26Å; Q633-L635 PolarHBondContact O-N 3.01Å; Q633-K636 WeakPolarHBondContact O-CB 3.47Å; Q633-K636 PolarHBondContact O-N 2.87Å; Q633-K636 VanDerWaalsContact O-N 3.1Å
634	R	96.8	Very high	97.7	Very high	51 Å²	51	45.1 Å²	45.1	19%	0.192	24%	0.243	C	C	.	.	H	α-helix	trans	-58.8	-40.1	174.5	174.7	63	-178.4	80.2	1.7	112	E630 W631 K636 G637 P638 H640 E766 Y793	E630-R634 PolarHBondContact O-N 3.47Å; W631-R634 WeakPolarHBondContact O-CB 3.41Å; W631-R634 PolarHBondContact O-N 3.2Å; W631-R634 VanDerWaalsContact O-N 3.14Å; R634-K636 PolarHBondContact O-N 2.86Å; R634-G637 PolarHBondContact O-N 3.47Å; R634-P638 PolarHBondContact NH1-O 2.8Å; R634-H640 PolarHBondContact NH2-CD2 2.6Å; R634-H640 PolarHBondContact NH2-NE2 3.31Å; R634-E766 IonicContact CZ-OE1 2.8Å; R634-E766 VanDerWaalsContact CZ-OE1 3.32Å; R634-E766 IonicContact CZ-OE2 3.34Å; R634-E766 VanDerWaalsContact NE-CD 3.34Å; R634-E766 IonicContact NE-OE1 2.81Å; R634-E766 PolarHBondContact NE-OE1 3.19Å; R634-E766 IonicContact NE-OE2 3.26Å; R634-E766 PolarHBondContact NE-OE2 2.91Å; R634-E766 VanDerWaalsContact NE-OE2 3.15Å; R634-E766 IonicContact NH2-OE1 2.85Å; R634-E766 PolarHBondContact NH2-OE1 3.34Å; R634-E766 IonicContact NH2-OE2 2.72Å; R634-Y793 HydrophobicContact CB-CE1 4.13Å; R634-Y793 WeakPolarHBondContact CD-OH 3.03Å; R634-Y793 WeakPolarHBondContact CG-OH 3.17Å
635	L	96.9	Very high	97.8	Very high	4 Å²	4	43 Å²	43	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-19.7	178.6	-75.7	-176.5	0	0	0	113.2	W575 Q579 W631 L632 Q633 G637 R668	W575-L635 HydrophobicContact CH2-CB 4.11Å; W575-L635 HydrophobicContact CZ2-CB 4.13Å; Q579-L635 HydrophobicContact CG-CD1 4.24Å; W631-L635 HydrophobicContact CD2-CD1 4.34Å; W631-L635 HydrophobicContact CD2-CG 4.17Å; W631-L635 HydrophobicContact CG-CD1 4.48Å; W631-L635 HydrophobicContact CH2-CD2 3.92Å; W631-L635 HydrophobicContact CH2-CG 4.49Å; W631-L635 HydrophobicContact CZ2-CD1 3.98Å; W631-L635 HydrophobicContact CZ2-CD2 3.62Å; W631-L635 HydrophobicContact CZ2-CG 3.96Å; W631-L635 VanDerWaalsContact NE1-CD1 3.29Å; W631-L635 WeakPolarHBondContact O-CB 3.43Å; W631-L635 WeakPolarHBondContact O-CG 3.48Å; W631-L635 PolarHBondContact O-N 3.16Å; L632-L635 PolarHBondContact O-N 3.18Å; Q633-L635 VanDerWaalsContact C-N 3.26Å; Q633-L635 PolarHBondContact O-N 3.01Å; L635-G637 PolarHBondContact O-N 3Å; L635-R668 VanDerWaalsContact CB-NH1 3.32Å; L635-R668 VanDerWaalsContact CD2-CZ 3.44Å; L635-R668 PolarHBondContact O-NH1 3.3Å; L635-R668 PolarHBondContact O-NH2 3.23Å
636	K	96.4	Very high	97.9	Very high	109 Å²	109	41.5 Å²	41.5	47%	0.474	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.6	171.3	-65.8	177	-179.9	-179.7	0	112.8	W575 E576 L632 Q633 R634	W575-K636 HydrophobicContact CH2-CG 3.64Å; W575-K636 HydrophobicContact CZ3-CD 4.49Å; W575-K636 HydrophobicContact CZ3-CG 3.83Å; E576-K636 VanDerWaalsContact OE1-CE 3.29Å; E576-K636 WeakPolarHBondContact OE1-CE 3.32Å; E576-K636 IonicContact OE1-NZ 2.75Å; E576-K636 PolarHBondContact OE1-NZ 2.79Å; L632-K636 PolarHBondContact O-N 2.97Å; Q633-K636 WeakPolarHBondContact O-CB 3.47Å; Q633-K636 PolarHBondContact O-N 2.87Å; Q633-K636 VanDerWaalsContact O-N 3.1Å; R634-K636 PolarHBondContact O-N 2.86Å
637	G	95.8	Very high	97.8	Very high	34 Å²	34	39.8 Å²	39.8	35%	0.351	21%	0.214	S	C	.	.	S	Bend	trans	-78.6	-171.5	174.9	0	0	0	0	0	113.8	R634 L635	R634-G637 PolarHBondContact O-N 3.47Å; L635-G637 PolarHBondContact O-N 3Å
638	P	97.4	Very high	97.7	Very high	96 Å²	96	39 Å²	39	62%	0.623	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-60.5	151.2	178.4	26.9	-34.5	0	0	0	111.5	R634	R634-P638 PolarHBondContact NH1-O 2.8Å
639	P	97.7	Very high	97.6	Very high	65 Å²	65	38.7 Å²	38.7	42%	0.422	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-61.3	147.4	173.9	28.6	-34.9	0	0	0	110.7	R668	P639-R668 HydrophobicContact CB-CB 4.28Å; P639-R668 WeakPolarHBondContact CB-O 3.31Å; P639-R668 WeakPolarHBondContact CG-O 3.37Å
640	H	98.4	Very high	97.5	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-61.4	149.3	165.1	-60.6	90	0	0	0	109.6	R634 T670 D744 L745 E766	R634-H640 PolarHBondContact NH2-CD2 2.6Å; R634-H640 PolarHBondContact NH2-NE2 3.31Å; H640-T670 HydrophobicContact CB-CG2 3.91Å; H640-T670 PolarHBondContact N-OG1 2.87Å; H640-T670 WeakPolarHBondContact O-CA 3.17Å; H640-T670 VanDerWaalsContact O-CB 3.28Å; H640-T670 WeakPolarHBondContact O-CB 3.42Å; H640-T670 WeakPolarHBondContact O-CG2 3.38Å; H640-T670 PolarHBondContact O-OG1 3.06Å; H640-D744 WeakPolarHBondContact CA-OD2 3.35Å; H640-D744 WeakPolarHBondContact CB-OD1 3.25Å; H640-L745 HydrophobicContact CB-CB 4.35Å; H640-E766 IonicContact CD2-OE2 3.95Å; H640-E766 IonicContact CE1-OE2 2.79Å; H640-E766 IonicContact NE2-OE1 2.77Å; H640-E766 IonicContact NE2-OE2 2.86Å; H640-E766 PolarHBondContact NE2-OE2 3.15Å
641	K	98.2	Very high	97.4	Very high	118 Å²	118	30.3 Å²	30.3	51%	0.513	16%	0.16	S	C	.	.	S	Bend	trans	-68.6	-53.7	176.2	-174.2	-171.4	178.6	-153.3	0	110.3	E671 R741 D744	K641-E671 PolarHBondContact O-N 3.36Å; K641-R741 WeakPolarHBondContact CD-O 3.48Å; K641-R741 WeakPolarHBondContact CE-O 3.44Å; K641-R741 PolarHBondContact NZ-O 2.87Å; K641-D744 VanDerWaalsContact N-CG 3.29Å; K641-D744 PolarHBondContact N-OD1 3.02Å; K641-D744 PolarHBondContact N-OD2 3.38Å
642	C	98.8	Very high	97.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	127.1	-179.2	177.9	0	0	0	0	111.3	E671 R741 A743 D744 L745	C642-E671 CarbonylContact C-O 3.53Å; C642-E671 VanDerWaalsContact CA-O 3.24Å; C642-E671 WeakPolarHBondContact CA-O 3.47Å; C642-E671 HydrophobicContact CB-CB 4.12Å; C642-R741 HydrophobicContact CB-CB 4.15Å; C642-A743 HydrophobicContact CB-CB 4.31Å; C642-A743 CarbonylContact O-C 3.59Å; C642-A743 VanDerWaalsContact O-CA 3.23Å; C642-A743 WeakPolarHBondContact O-CA 3.33Å; C642-A743 WeakPolarHBondContact O-CB 3.38Å; C642-D744 PolarHBondContact N-OD1 3.24Å; C642-D744 PolarHBondContact O-N 2.84Å; C642-L745 PolarHBondContact O-N 3.41Å
643	A	98.9	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	125.3	175.4	0	0	0	0	0	110.9	I645 L665 T670 E671 V672 I673 L745	A643-I645 HydrophobicContact CB-CG1 4.44Å; A643-L665 HydrophobicContact CB-CD1 3.92Å; A643-T670 HydrophobicContact CB-CG2 3.96Å; A643-E671 PolarHBondContact N-O 3.42Å; A643-V672 CarbonylContact O-C 3.42Å; A643-V672 WeakPolarHBondContact O-CA 3.48Å; A643-I673 PolarHBondContact O-N 2.96Å; A643-L745 CarbonylContact C-O 3.39Å; A643-L745 WeakPolarHBondContact CA-O 3.19Å; A643-L745 HydrophobicContact CB-CB 4.21Å; A643-L745 HydrophobicContact CB-CD2 3.97Å; A643-L745 HydrophobicContact CB-CG 4.32Å
644	L	98.9	Very high	97.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.5	166	172.6	63.4	0	0	0	109	L447 F646 I673 A675 L734 V738 A743 L745 V746 V747	L447-L644 HydrophobicContact CD1-CD2 3.69Å; L644-F646 HydrophobicContact CD1-CE2 4.46Å; L644-F646 HydrophobicContact CD1-CZ 4.41Å; L644-F646 HydrophobicContact CD2-CE2 3.51Å; L644-F646 HydrophobicContact CD2-CZ 3.63Å; L644-F646 HydrophobicContact CG-CD2 4.32Å; L644-F646 HydrophobicContact CG-CE2 3.76Å; L644-F646 HydrophobicContact CG-CZ 4.11Å; L644-I673 CarbonylContact C-O 3.55Å; L644-I673 WeakPolarHBondContact CA-O 3.43Å; L644-I673 HydrophobicContact CD1-CB 3.98Å; L644-I673 HydrophobicContact CD1-CG2 3.67Å; L644-A675 HydrophobicContact CD1-CB 4.01Å; L644-L734 HydrophobicContact CD1-CD1 3.73Å; L644-V738 HydrophobicContact CD1-CG2 4.26Å; L644-V738 HydrophobicContact CD2-CG2 3.72Å; L644-V738 HydrophobicContact CG-CG2 4.46Å; L644-A743 HydrophobicContact CB-CB 4.49Å; L644-L745 PolarHBondContact N-O 3.02Å; L644-V746 HydrophobicContact CB-CG2 4.32Å; L644-V746 HydrophobicContact CD2-CG2 4.29Å; L644-V746 CarbonylContact O-C 3.48Å; L644-V746 WeakPolarHBondContact O-CA 3.38Å; L644-V747 PolarHBondContact O-N 2.89Å
645	I	98.8	Very high	97.2	Very high	3 Å²	3	21.7 Å²	21.7	2%	0.015	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.2	-178.5	-52.3	-174.9	0	0	0	109.4	A643 V658 F661 V662 L665 V672 I673 L674 A675 V747	A643-I645 HydrophobicContact CB-CG1 4.44Å; I645-V658 HydrophobicContact CG2-CG1 4.26Å; I645-F661 HydrophobicContact CD1-CD1 4.15Å; I645-F661 HydrophobicContact CD1-CE1 4.17Å; I645-V662 HydrophobicContact CD1-CG2 3.76Å; I645-L665 HydrophobicContact CD1-CD1 4.05Å; I645-V672 HydrophobicContact CD1-CG1 3.92Å; I645-V672 HydrophobicContact CG1-CG1 4.24Å; I645-I673 PolarHBondContact N-O 2.95Å; I645-L674 HydrophobicContact CB-CD1 4.02Å; I645-L674 HydrophobicContact CG2-CD1 4.02Å; I645-A675 PolarHBondContact O-N 3.39Å; I645-V747 WeakPolarHBondContact CA-O 3.35Å; I645-V747 HydrophobicContact CB-CB 4.33Å; I645-V747 HydrophobicContact CG1-CB 4Å; I645-V747 HydrophobicContact CG1-CG2 4.11Å; I645-V747 HydrophobicContact CG2-CB 4.16Å; I645-V747 HydrophobicContact CG2-CG1 4.34Å
646	F	98.6	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111	170.5	-65.4	-85.5	0	0	0	109.5	L447 L644 A675 T718 L725 L727 L730 L734 V746 V747 I748 E749	L447-F646 HydrophobicContact CD1-CZ 4.47Å; L644-F646 HydrophobicContact CD1-CE2 4.46Å; L644-F646 HydrophobicContact CD1-CZ 4.41Å; L644-F646 HydrophobicContact CD2-CE2 3.51Å; L644-F646 HydrophobicContact CD2-CZ 3.63Å; L644-F646 HydrophobicContact CG-CD2 4.32Å; L644-F646 HydrophobicContact CG-CE2 3.76Å; L644-F646 HydrophobicContact CG-CZ 4.11Å; F646-A675 HydrophobicContact CD1-CB 3.79Å; F646-A675 HydrophobicContact CE1-CB 3.97Å; F646-A675 HydrophobicContact CG-CB 4.48Å; F646-T718 HydrophobicContact CD1-CG2 3.87Å; F646-T718 HydrophobicContact CE1-CG2 4.03Å; F646-L725 HydrophobicContact CB-CD2 3.96Å; F646-L725 HydrophobicContact CD1-CD1 3.9Å; F646-L725 HydrophobicContact CD1-CD2 3.67Å; F646-L725 HydrophobicContact CD1-CG 4.46Å; F646-L725 HydrophobicContact CD2-CD2 3.85Å; F646-L725 HydrophobicContact CE1-CD1 3.95Å; F646-L725 HydrophobicContact CE1-CD2 4.05Å; F646-L725 HydrophobicContact CE2-CD2 4.21Å; F646-L725 HydrophobicContact CG-CD2 3.55Å; F646-L725 HydrophobicContact CZ-CD2 4.3Å; F646-L727 HydrophobicContact CE2-CD2 3.99Å; F646-L727 HydrophobicContact CZ-CD2 3.85Å; F646-L730 HydrophobicContact CE1-CD1 4.27Å; F646-L730 HydrophobicContact CE1-CD2 4.15Å; F646-L730 HydrophobicContact CZ-CD1 3.93Å; F646-L734 HydrophobicContact CE1-CD2 4.14Å; F646-V746 HydrophobicContact CD2-CG1 4.3Å; F646-V746 HydrophobicContact CE2-CG1 4.05Å; F646-V747 PolarHBondContact N-O 2.88Å; F646-I748 HydrophobicContact CD2-CG1 4.25Å; F646-E749 PolarHBondContact O-N 3.36Å
647	A	96.6	Very high	97.2	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.008	10%	0.1	C	C	.	.			trans	-84.7	148.3	-179.7	0	0	0	0	0	112.3	L674 A675 V685 R753	A647-L674 HydrophobicContact CB-CD1 4.14Å; A647-A675 PolarHBondContact N-O 3.49Å; A647-A675 VanDerWaalsContact N-O 3.14Å; A647-V685 HydrophobicContact CB-CG1 3.93Å; A647-R753 VanDerWaalsContact O-CZ 3.25Å; A647-R753 PolarHBondContact O-NE 3.15Å; A647-R753 PolarHBondContact O-NH2 3.42Å
648	D	95.5	Very high	97.3	Very high	4 Å²	4	15 Å²	15	2%	0.021	8%	0.084	C	C	.	.			trans	-95.5	-89.2	178.7	-159.1	35.2	0	0	0	110.9	N590 D684 V685 E749 G750 R753	N590-D648 PolarHBondContact ND2-OD2 3.03Å; D648-D684 WeakPolarHBondContact O-CA 3.4Å; D648-D684 WeakPolarHBondContact O-CB 3.39Å; D648-V685 PolarHBondContact O-N 2.87Å; D648-V685 VanDerWaalsContact O-N 3.07Å; D648-E749 WeakPolarHBondContact CA-OE2 3.21Å; D648-E749 WeakPolarHBondContact CB-OE2 3.44Å; D648-E749 PolarHBondContact N-OE2 2.81Å; D648-G750 VanDerWaalsContact OD2-CA 3.24Å; D648-G750 WeakPolarHBondContact OD2-CA 3.25Å; D648-R753 IonicContact OD1-CZ 3.5Å; D648-R753 IonicContact OD1-NH1 3.62Å; D648-R753 PolarHBondContact OD1-NH1 3Å
649	N	96.6	Very high	97.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-95.2	155.4	-165.6	-54.2	-80.7	0	0	0	114.1	N590 D653 I654 N683	N590-N649 PolarHBondContact ND2-ND2 3.23Å; N649-D653 HydrophobicContact CB-CB 3.69Å; N649-D653 VanDerWaalsContact CB-OD2 3.28Å; N649-D653 WeakPolarHBondContact CB-OD2 3.28Å; N649-D653 PolarHBondContact N-OD2 2.99Å; N649-D653 VanDerWaalsContact N-OD2 3.12Å; N649-D653 PolarHBondContact ND2-OD2 3.34Å; N649-I654 WeakPolarHBondContact O-CB 3.45Å; N649-I654 WeakPolarHBondContact O-CG2 3.25Å; N649-I654 PolarHBondContact O-N 2.8Å; N649-N683 PolarHBondContact OD1-ND2 2.92Å; N649-N683 VanDerWaalsContact OD1-ND2 3.11Å; N649-N683 PolarHBondContact OD1-OD1 3.39Å
650	S	96.7	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	174.3	164.2	-67.5	0	0	0	0	112.1	K552 N683 V685	K552-S650 WeakPolarHBondContact CD-OG 3.43Å; S650-N683 WeakPolarHBondContact CB-O 3.47Å; S650-N683 PolarHBondContact N-O 2.96Å; S650-N683 PolarHBondContact OG-O 3.24Å; S650-V685 WeakPolarHBondContact OG-CA 3.34Å
651	G	95.4	Very high	97.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	-129.8	170.2	0	0	0	0	0	112.6	N556 D653 I655	N556-G651 VanDerWaalsContact OD1-CA 3.28Å; N556-G651 WeakPolarHBondContact OD1-CA 3.39Å; N556-G651 PolarHBondContact OD1-N 3.45Å; G651-D653 PolarHBondContact O-N 2.86Å; G651-I655 VanDerWaalsContact O-CB 3.24Å; G651-I655 WeakPolarHBondContact O-CB 3.32Å; G651-I655 PolarHBondContact O-N 3.28Å
652	I	94	Very high	97.4	Very high	20 Å²	20	2.2 Å²	2.2	10%	0.103	1%	0.012	C	C	.	.	H	α-helix	trans	-58.4	-35.5	-175	-67.9	174.7	0	0	0	111.1	A559 F592 F611 L656 G657	A559-I652 HydrophobicContact CB-CG1 4.24Å; F592-I652 HydrophobicContact CD1-CD1 4Å; F592-I652 HydrophobicContact CD2-CB 4.02Å; F592-I652 HydrophobicContact CD2-CD1 4.12Å; F592-I652 HydrophobicContact CD2-CG2 3.88Å; F592-I652 HydrophobicContact CE1-CD1 3.61Å; F592-I652 HydrophobicContact CE2-CB 4.28Å; F592-I652 HydrophobicContact CE2-CD1 3.75Å; F592-I652 HydrophobicContact CE2-CG2 3.83Å; F592-I652 HydrophobicContact CG-CB 4.36Å; F592-I652 HydrophobicContact CG-CD1 4.25Å; F592-I652 HydrophobicContact CZ-CD1 3.5Å; F592-I652 VanDerWaalsContact CZ-CD1 3.5Å; F611-I652 HydrophobicContact CB-CD1 4.5Å; F611-I652 HydrophobicContact CB-CG2 4.11Å; F611-I652 HydrophobicContact CD2-CG2 3.27Å; F611-I652 HydrophobicContact CE2-CG2 3.84Å; F611-I652 HydrophobicContact CG-CG2 3.94Å; I652-L656 HydrophobicContact CG1-CD1 4.3Å; I652-L656 HydrophobicContact CG2-CB 4.28Å; I652-L656 HydrophobicContact CG2-CD1 4.18Å; I652-L656 WeakPolarHBondContact O-CA 3.29Å; I652-L656 VanDerWaalsContact O-CB 3.28Å; I652-L656 WeakPolarHBondContact O-CB 3.14Å; I652-L656 PolarHBondContact O-N 3.34Å; I652-G657 PolarHBondContact O-N 3.44Å
653	D	96.1	Very high	97.4	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.016	C	C	.	.	I	π-helix	trans	-61.5	-70.6	-178.7	-167	-3.1	0	0	0	112.4	G589 N649 G651 I655 G657 V658	G589-D653 WeakPolarHBondContact O-CB 3.48Å; N649-D653 HydrophobicContact CB-CB 3.69Å; N649-D653 VanDerWaalsContact CB-OD2 3.28Å; N649-D653 WeakPolarHBondContact CB-OD2 3.28Å; N649-D653 PolarHBondContact N-OD2 2.99Å; N649-D653 VanDerWaalsContact N-OD2 3.12Å; N649-D653 PolarHBondContact ND2-OD2 3.34Å; G651-D653 PolarHBondContact O-N 2.86Å; D653-I655 PolarHBondContact O-N 3.42Å; D653-G657 CarbonylContact O-C 3.53Å; D653-G657 WeakPolarHBondContact O-CA 3.4Å; D653-G657 PolarHBondContact O-N 3.18Å; D653-V658 PolarHBondContact O-N 3.23Å
654	I	97.5	Very high	97.4	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	I	π-helix	trans	-61.1	-42.8	179.7	-169	179	0	0	0	112.2	N649 V658 F659 L674 V685	N649-I654 WeakPolarHBondContact O-CB 3.45Å; N649-I654 WeakPolarHBondContact O-CG2 3.25Å; N649-I654 PolarHBondContact O-N 2.8Å; I654-V658 HydrophobicContact CG1-CB 4.23Å; I654-V658 WeakPolarHBondContact O-CB 3.49Å; I654-V658 PolarHBondContact O-N 2.99Å; I654-F659 HydrophobicContact CD1-CE2 3.97Å; I654-F659 HydrophobicContact CG1-CD2 3.97Å; I654-F659 HydrophobicContact CG1-CE2 3.85Å; I654-F659 VanDerWaalsContact O-CD2 3.25Å; I654-F659 WeakPolarHBondContact O-CD2 3.41Å; I654-F659 PolarHBondContact O-N 2.62Å; I654-L674 HydrophobicContact CD1-CD2 4.35Å; I654-V685 HydrophobicContact CB-CG1 4.47Å; I654-V685 HydrophobicContact CD1-CB 4.25Å; I654-V685 HydrophobicContact CD1-CG1 3.84Å; I654-V685 HydrophobicContact CD1-CG2 3.76Å; I654-V685 HydrophobicContact CG2-CB 4.48Å; I654-V685 HydrophobicContact CG2-CG2 4.37Å
655	I	98	Very high	97.4	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.018	C	C	.	.	I	π-helix	trans	-79.5	-44.5	-171.7	-65.6	155.6	0	0	0	113	N556 A559 L560 F563 G651 D653 P660 V693 I697	N556-I655 HydrophobicContact CB-CD1 4.1Å; N556-I655 WeakPolarHBondContact OD1-CD1 3.35Å; A559-I655 HydrophobicContact CB-CB 3.81Å; A559-I655 HydrophobicContact CB-CD1 3.74Å; A559-I655 HydrophobicContact CB-CG1 4.38Å; A559-I655 HydrophobicContact CB-CG2 3.92Å; L560-I655 HydrophobicContact CD2-CD1 4.24Å; L560-I655 HydrophobicContact CD2-CG1 4.44Å; L560-I655 HydrophobicContact CD2-CG2 4.27Å; L560-I655 HydrophobicContact CG-CD1 3.91Å; F563-I655 HydrophobicContact CB-CG2 4Å; F563-I655 HydrophobicContact CD2-CG2 3.96Å; F563-I655 WeakPolarHBondContact CD2-O 3.46Å; F563-I655 WeakPolarHBondContact CE2-O 3.35Å; F563-I655 HydrophobicContact CG-CG2 4.31Å; G651-I655 VanDerWaalsContact O-CB 3.24Å; G651-I655 WeakPolarHBondContact O-CB 3.32Å; G651-I655 PolarHBondContact O-N 3.28Å; D653-I655 PolarHBondContact O-N 3.42Å; I655-P660 VanDerWaalsContact O-CD 3.27Å; I655-P660 WeakPolarHBondContact O-CD 3.36Å; I655-V693 HydrophobicContact CD1-CG1 3.98Å; I655-V693 HydrophobicContact CD1-CG2 4.38Å; I655-V693 HydrophobicContact CG1-CG1 3.45Å; I655-V693 VanDerWaalsContact CG1-CG1 3.45Å; I655-I697 HydrophobicContact CG1-CD1 4.38Å; I655-I697 HydrophobicContact CG2-CD1 4.22Å
656	L	96.8	Very high	97.4	Very high	6 Å²	6	3.8 Å²	3.8	3%	0.031	2%	0.019	C	C	.	.	I	π-helix	trans	-101.6	-14	-175	-54.8	-177.6	0	0	0	113.4	A559 C562 F563 V566 F611 I652 P660	A559-L656 HydrophobicContact CB-CD1 4.33Å; A559-L656 HydrophobicContact CB-CG 4.13Å; A559-L656 WeakPolarHBondContact O-CD2 3.31Å; C562-L656 HydrophobicContact CB-CD1 3.88Å; C562-L656 HydrophobicContact CB-CD2 4.17Å; F563-L656 HydrophobicContact CB-CD2 3.94Å; F563-L656 HydrophobicContact CD2-CD2 4.28Å; V566-L656 HydrophobicContact CB-CD2 4.38Å; V566-L656 HydrophobicContact CG2-CD1 4.49Å; V566-L656 HydrophobicContact CG2-CD2 4.01Å; F611-L656 HydrophobicContact CB-CD1 4.43Å; F611-L656 HydrophobicContact CD1-CB 4.45Å; F611-L656 HydrophobicContact CD1-CD1 4.15Å; F611-L656 HydrophobicContact CE1-CB 4.04Å; F611-L656 HydrophobicContact CE2-CB 4.17Å; F611-L656 HydrophobicContact CG-CD1 4.23Å; F611-L656 HydrophobicContact CZ-CB 3.88Å; I652-L656 HydrophobicContact CG1-CD1 4.3Å; I652-L656 HydrophobicContact CG2-CB 4.28Å; I652-L656 HydrophobicContact CG2-CD1 4.18Å; I652-L656 WeakPolarHBondContact O-CA 3.29Å; I652-L656 VanDerWaalsContact O-CB 3.28Å; I652-L656 WeakPolarHBondContact O-CB 3.14Å; I652-L656 PolarHBondContact O-N 3.34Å; L656-P660 WeakPolarHBondContact O-CG 3.44Å
657	G	96.4	Very high	97.3	Very high	1 Å²	1	8 Å²	8	1%	0.01	4%	0.041	C	C	.	.	I	π-helix	trans	-101.2	-67.5	172.4	0	0	0	0	0	112.1	I652 D653 P660 F661	I652-G657 PolarHBondContact O-N 3.44Å; D653-G657 CarbonylContact O-C 3.53Å; D653-G657 WeakPolarHBondContact O-CA 3.4Å; D653-G657 PolarHBondContact O-N 3.18Å; G657-P660 WeakPolarHBondContact O-CD 3.33Å; G657-F661 PolarHBondContact O-N 2.91Å
658	V	98.2	Very high	97.3	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-68.2	-50.5	-169.7	-177.9	0	0	0	0	112.5	L586 I645 D653 I654 F661 V662 L674	L586-V658 HydrophobicContact CD2-CB 4.28Å; L586-V658 HydrophobicContact CD2-CG2 3.85Å; I645-V658 HydrophobicContact CG2-CG1 4.26Å; D653-V658 PolarHBondContact O-N 3.23Å; I654-V658 HydrophobicContact CG1-CB 4.23Å; I654-V658 WeakPolarHBondContact O-CB 3.49Å; I654-V658 PolarHBondContact O-N 2.99Å; V658-F661 WeakPolarHBondContact O-CB 3.07Å; V658-F661 PolarHBondContact O-N 3.47Å; V658-F661 VanDerWaalsContact O-N 3.11Å; V658-V662 HydrophobicContact CG1-CG2 3.98Å; V658-V662 VanDerWaalsContact O-CG2 3.31Å; V658-V662 WeakPolarHBondContact O-CG2 3.38Å; V658-V662 PolarHBondContact O-N 2.88Å; V658-L674 HydrophobicContact CG1-CD1 3.85Å
659	F	98.5	Very high	97.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61	-41.8	-178	-90.4	-78.6	0	0	0	114.1	F563 I654 F661 V662 R663 L674 V693 A694 I697 V704 L713	F563-F659 HydrophobicContact CE2-CB 3.97Å; I654-F659 HydrophobicContact CD1-CE2 3.97Å; I654-F659 HydrophobicContact CG1-CD2 3.97Å; I654-F659 HydrophobicContact CG1-CE2 3.85Å; I654-F659 VanDerWaalsContact O-CD2 3.25Å; I654-F659 WeakPolarHBondContact O-CD2 3.41Å; I654-F659 PolarHBondContact O-N 2.62Å; F659-F661 VanDerWaalsContact C-N 3.31Å; F659-F661 PolarHBondContact O-N 3.32Å; F659-V662 PolarHBondContact O-N 2.86Å; F659-R663 WeakPolarHBondContact O-CB 3.45Å; F659-R663 PolarHBondContact O-N 2.95Å; F659-L674 HydrophobicContact CE2-CD2 4.44Å; F659-L674 HydrophobicContact CZ-CD2 4.17Å; F659-V693 HydrophobicContact CD2-CG1 4.3Å; F659-V693 HydrophobicContact CE2-CG1 3.7Å; F659-V693 HydrophobicContact CZ-CG1 4.41Å; F659-A694 HydrophobicContact CE1-CB 4.18Å; F659-A694 HydrophobicContact CZ-CB 3.81Å; F659-I697 HydrophobicContact CB-CD1 3.86Å; F659-I697 HydrophobicContact CD1-CD1 3.78Å; F659-I697 HydrophobicContact CD1-CG2 4.17Å; F659-I697 HydrophobicContact CD2-CD1 3.27Å; F659-I697 HydrophobicContact CE1-CD1 4.11Å; F659-I697 HydrophobicContact CE2-CD1 3.66Å; F659-I697 HydrophobicContact CG-CD1 3.35Å; F659-I697 HydrophobicContact CZ-CD1 4.07Å; F659-V704 HydrophobicContact CE1-CG1 4.39Å; F659-L713 HydrophobicContact CE1-CD2 4.25Å
660	P	98.5	Very high	97.6	Very high	6 Å²	6	12.3 Å²	12.3	4%	0.039	7%	0.072	C	C	.	.	H	α-helix	trans	-61.2	-37.9	172.5	-29.6	38.9	0	0	0	113.2	F563 L570 L582 I655 L656 G657 R663 E664	F563-P660 HydrophobicContact CD2-CG 4.49Å; F563-P660 HydrophobicContact CE2-CG 3.98Å; L570-P660 HydrophobicContact CD1-CB 3.79Å; L582-P660 HydrophobicContact CD2-CB 3.76Å; L582-P660 WeakPolarHBondContact CD2-O 3.38Å; I655-P660 VanDerWaalsContact O-CD 3.27Å; I655-P660 WeakPolarHBondContact O-CD 3.36Å; L656-P660 WeakPolarHBondContact O-CG 3.44Å; G657-P660 WeakPolarHBondContact O-CD 3.33Å; P660-R663 WeakPolarHBondContact O-CB 3.18Å; P660-R663 PolarHBondContact O-N 2.84Å; P660-E664 PolarHBondContact O-N 3.18Å; P660-E664 VanDerWaalsContact O-N 3.12Å
661	F	98.5	Very high	97.7	Very high	6 Å²	6	15.3 Å²	15.3	3%	0.026	9%	0.086	C	C	.	.	H	α-helix	trans	-67.2	-44.4	174.6	179.9	-102.8	0	0	0	112.1	L586 W631 I645 G657 V658 F659 R663 E664 L665 V747 L768	L586-F661 HydrophobicContact CD1-CB 3.85Å; L586-F661 HydrophobicContact CD1-CD1 3.98Å; L586-F661 HydrophobicContact CD1-CD2 3.6Å; L586-F661 HydrophobicContact CD1-CE1 4.41Å; L586-F661 HydrophobicContact CD1-CE2 4.07Å; L586-F661 HydrophobicContact CD1-CG 3.54Å; L586-F661 HydrophobicContact CD1-CZ 4.45Å; L586-F661 HydrophobicContact CD2-CB 4.05Å; L586-F661 HydrophobicContact CD2-CG 4.41Å; L586-F661 HydrophobicContact CG-CB 3.96Å; L586-F661 HydrophobicContact CG-CG 4.22Å; W631-F661 HydrophobicContact CZ2-CE2 4.18Å; W631-F661 AromaticContact CZ2-CZ 3.94Å; W631-F661 HydrophobicContact CZ2-CZ 3.94Å; I645-F661 HydrophobicContact CD1-CD1 4.15Å; I645-F661 HydrophobicContact CD1-CE1 4.17Å; G657-F661 PolarHBondContact O-N 2.91Å; V658-F661 WeakPolarHBondContact O-CB 3.07Å; V658-F661 PolarHBondContact O-N 3.47Å; V658-F661 VanDerWaalsContact O-N 3.11Å; F659-F661 VanDerWaalsContact C-N 3.31Å; F659-F661 PolarHBondContact O-N 3.32Å; F661-R663 VanDerWaalsContact C-N 3.3Å; F661-R663 PolarHBondContact O-N 3.02Å; F661-E664 PolarHBondContact O-N 2.95Å; F661-L665 HydrophobicContact CD1-CD1 4.15Å; F661-L665 HydrophobicContact CE1-CD1 3.69Å; F661-L665 HydrophobicContact CE1-CG 4.3Å; F661-L665 HydrophobicContact CZ-CD1 4.23Å; F661-L665 HydrophobicContact CZ-CG 4.5Å; F661-L665 PolarHBondContact O-N 2.99Å; F661-L665 VanDerWaalsContact O-N 3.11Å; F661-V747 HydrophobicContact CE1-CG2 4.3Å; F661-L768 HydrophobicContact CZ-CD2 4.3Å
662	V	98.7	Very high	97.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.2	-45.4	172.3	167.4	0	0	0	0	110.8	I645 V658 F659 E664 L665 L666 V672 L713	I645-V662 HydrophobicContact CD1-CG2 3.76Å; V658-V662 HydrophobicContact CG1-CG2 3.98Å; V658-V662 VanDerWaalsContact O-CG2 3.31Å; V658-V662 WeakPolarHBondContact O-CG2 3.38Å; V658-V662 PolarHBondContact O-N 2.88Å; F659-V662 PolarHBondContact O-N 2.86Å; V662-E664 VanDerWaalsContact C-N 3.32Å; V662-E664 PolarHBondContact O-N 2.91Å; V662-L665 PolarHBondContact O-N 3.33Å; V662-L666 HydrophobicContact CG1-CD1 3.76Å; V662-L666 HydrophobicContact CG1-CG 4.31Å; V662-L666 VanDerWaalsContact O-CG 3.29Å; V662-L666 WeakPolarHBondContact O-CG 3.04Å; V662-L666 PolarHBondContact O-N 3.5Å; V662-V672 HydrophobicContact CG1-CB 4.34Å; V662-V672 HydrophobicContact CG1-CG1 4.11Å; V662-V672 HydrophobicContact CG1-CG2 4.27Å; V662-V672 HydrophobicContact CG2-CG1 4.13Å; V662-L713 HydrophobicContact CG1-CD1 3.83Å; V662-L713 HydrophobicContact CG1-CD2 4.13Å
663	R	98.5	Very high	98.1	Very high	23 Å²	23	14.5 Å²	14.5	9%	0.087	8%	0.081	C	C	.	.	H	α-helix	trans	-58.2	-42.4	177.1	179.9	-177.8	177.7	-93	11.3	112	D571 F659 P660 F661 L666 L667 D701 V703	D571-R663 IonicContact OD1-CZ 2.82Å; D571-R663 IonicContact OD1-NH1 3.82Å; D571-R663 PolarHBondContact OD1-NH1 2.96Å; D571-R663 IonicContact OD1-NH2 3.69Å; D571-R663 PolarHBondContact OD1-NH2 3.02Å; D571-R663 IonicContact OD2-CZ 3.25Å; D571-R663 IonicContact OD2-NH1 3.32Å; D571-R663 IonicContact OD2-NH2 3.78Å; D571-R663 PolarHBondContact OD2-NH2 2.77Å; F659-R663 WeakPolarHBondContact O-CB 3.45Å; F659-R663 PolarHBondContact O-N 2.95Å; P660-R663 WeakPolarHBondContact O-CB 3.18Å; P660-R663 PolarHBondContact O-N 2.84Å; F661-R663 VanDerWaalsContact C-N 3.3Å; F661-R663 PolarHBondContact O-N 3.02Å; R663-L666 PolarHBondContact O-N 2.63Å; R663-L667 HydrophobicContact CG-CD1 4.38Å; R663-L667 WeakPolarHBondContact O-CG 3.31Å; R663-L667 PolarHBondContact O-N 2.72Å; R663-D701 WeakPolarHBondContact CD-OD2 3.47Å; R663-D701 IonicContact CZ-OD2 2.7Å; R663-D701 IonicContact NE-OD1 3.86Å; R663-D701 IonicContact NE-OD2 2.85Å; R663-D701 PolarHBondContact NE-OD2 3.37Å; R663-D701 IonicContact NH2-OD2 3.16Å; R663-V703 HydrophobicContact CG-CB 4.08Å; R663-V703 HydrophobicContact CG-CG1 4.08Å; R663-V703 HydrophobicContact CG-CG2 4.47Å
664	E	98.3	Very high	98.2	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.028	8%	0.081	C	C	.	.	H	α-helix	trans	-65.2	-40.4	177	-174	70.4	-173.9	0	0	112	R578 Q579 L582 P660 F661 V662 L667 R668	R578-E664 IonicContact CZ-OE1 3.4Å; R578-E664 IonicContact CZ-OE2 3.37Å; R578-E664 IonicContact NE-OE1 3.3Å; R578-E664 PolarHBondContact NE-OE1 3.07Å; R578-E664 IonicContact NE-OE2 3.14Å; R578-E664 PolarHBondContact NE-OE2 3.36Å; R578-E664 VanDerWaalsContact NE-OE2 3.14Å; R578-E664 IonicContact NH2-OE1 2.75Å; R578-E664 PolarHBondContact NH2-OE1 3.42Å; R578-E664 IonicContact NH2-OE2 3.35Å; R578-E664 PolarHBondContact NH2-OE2 3.12Å; Q579-E664 PolarHBondContact NE2-OE1 2.71Å; L582-E664 HydrophobicContact CD1-CB 3.51Å; L582-E664 HydrophobicContact CD1-CG 3.5Å; L582-E664 VanDerWaalsContact CD1-CG 3.5Å; P660-E664 PolarHBondContact O-N 3.18Å; P660-E664 VanDerWaalsContact O-N 3.12Å; F661-E664 PolarHBondContact O-N 2.95Å; V662-E664 VanDerWaalsContact C-N 3.32Å; V662-E664 PolarHBondContact O-N 2.91Å; E664-L667 PolarHBondContact O-N 3.19Å; E664-R668 VanDerWaalsContact O-CG 3.3Å; E664-R668 WeakPolarHBondContact O-CG 3.43Å; E664-R668 PolarHBondContact O-N 3Å; E664-R668 VanDerWaalsContact O-N 3.13Å
665	L	98.6	Very high	98.2	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-62.2	-44.1	174.1	-67.1	179.4	0	0	0	111.6	A643 I645 F661 V662 L667 R668 G669 T670 V672	A643-L665 HydrophobicContact CB-CD1 3.92Å; I645-L665 HydrophobicContact CD1-CD1 4.05Å; F661-L665 HydrophobicContact CD1-CD1 4.15Å; F661-L665 HydrophobicContact CE1-CD1 3.69Å; F661-L665 HydrophobicContact CE1-CG 4.3Å; F661-L665 HydrophobicContact CZ-CD1 4.23Å; F661-L665 HydrophobicContact CZ-CG 4.5Å; F661-L665 PolarHBondContact O-N 2.99Å; F661-L665 VanDerWaalsContact O-N 3.11Å; V662-L665 PolarHBondContact O-N 3.33Å; L665-L667 VanDerWaalsContact C-N 3.34Å; L665-L667 PolarHBondContact O-N 2.83Å; L665-R668 WeakPolarHBondContact O-CB 3.49Å; L665-R668 PolarHBondContact O-N 2.83Å; L665-R668 VanDerWaalsContact O-N 3.13Å; L665-G669 PolarHBondContact O-N 2.92Å; L665-T670 HydrophobicContact CB-CG2 4.36Å; L665-T670 WeakPolarHBondContact O-CB 3.43Å; L665-T670 PolarHBondContact O-N 3.16Å; L665-V672 HydrophobicContact CB-CG2 4.11Å; L665-V672 HydrophobicContact CD1-CG2 4.36Å
666	L	98.6	Very high	98.2	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.026	8%	0.081	C	C	.	.	H	α-helix	trans	-62.9	-38.3	176.9	-69.8	167.2	0	0	0	112.5	V662 R663 R668 G669 V672 V703 A707 R712 L713	V662-L666 HydrophobicContact CG1-CD1 3.76Å; V662-L666 HydrophobicContact CG1-CG 4.31Å; V662-L666 VanDerWaalsContact O-CG 3.29Å; V662-L666 WeakPolarHBondContact O-CG 3.04Å; V662-L666 PolarHBondContact O-N 3.5Å; R663-L666 PolarHBondContact O-N 2.63Å; L666-R668 VanDerWaalsContact C-N 3.27Å; L666-R668 PolarHBondContact O-N 3.16Å; L666-G669 PolarHBondContact O-N 2.9Å; L666-G669 VanDerWaalsContact O-N 3.12Å; L666-V672 HydrophobicContact CD2-CG2 4.22Å; L666-V672 HydrophobicContact CG-CG2 4.27Å; L666-V703 HydrophobicContact CB-CG1 4.04Å; L666-A707 HydrophobicContact CD1-CB 3.54Å; L666-A707 HydrophobicContact CD2-CB 3.65Å; L666-A707 HydrophobicContact CG-CB 4.15Å; L666-R712 HydrophobicContact CD2-CB 4.11Å; L666-R712 PolarHBondContact O-NH1 2.62Å; L666-L713 HydrophobicContact CD1-CB 4.34Å; L666-L713 HydrophobicContact CD1-CD2 4.44Å; L666-L713 HydrophobicContact CD2-CB 4.41Å
667	L	98	Very high	98.2	Very high	88 Å²	88	14.3 Å²	14.3	46%	0.461	8%	0.08	S	C	.	.	H	α-helix	trans	-65.4	-30.5	175	-79	172.9	0	0	0	112.5	R663 E664 L665 G669 V703	R663-L667 HydrophobicContact CG-CD1 4.38Å; R663-L667 WeakPolarHBondContact O-CG 3.31Å; R663-L667 PolarHBondContact O-N 2.72Å; E664-L667 PolarHBondContact O-N 3.19Å; L665-L667 VanDerWaalsContact C-N 3.34Å; L665-L667 PolarHBondContact O-N 2.83Å; L667-G669 VanDerWaalsContact C-N 3.25Å; L667-V703 HydrophobicContact CD2-CG1 4.09Å; L667-V703 HydrophobicContact CD2-CG2 3.73Å; L667-V703 HydrophobicContact CG-CG1 4.05Å; L667-V703 HydrophobicContact CG-CG2 4.24Å
668	R	96.8	Very high	98.1	Very high	47 Å²	47	15.9 Å²	15.9	18%	0.177	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-10.7	174	-66.5	165.4	59	98.4	12.9	113.2	L635 P639 E664 L665 L666	L635-R668 VanDerWaalsContact CB-NH1 3.32Å; L635-R668 VanDerWaalsContact CD2-CZ 3.44Å; L635-R668 PolarHBondContact O-NH1 3.3Å; L635-R668 PolarHBondContact O-NH2 3.23Å; P639-R668 HydrophobicContact CB-CB 4.28Å; P639-R668 WeakPolarHBondContact CB-O 3.31Å; P639-R668 WeakPolarHBondContact CG-O 3.37Å; E664-R668 VanDerWaalsContact O-CG 3.3Å; E664-R668 WeakPolarHBondContact O-CG 3.43Å; E664-R668 PolarHBondContact O-N 3Å; E664-R668 VanDerWaalsContact O-N 3.13Å; L665-R668 WeakPolarHBondContact O-CB 3.49Å; L665-R668 PolarHBondContact O-N 2.83Å; L665-R668 VanDerWaalsContact O-N 3.13Å; L666-R668 VanDerWaalsContact C-N 3.27Å; L666-R668 PolarHBondContact O-N 3.16Å
669	G	98	Very high	97.8	Very high	49 Å²	49	16.3 Å²	16.3	51%	0.505	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	9.2	-178	0	0	0	0	0	114.7	L665 L666 L667	L665-G669 PolarHBondContact O-N 2.92Å; L666-G669 PolarHBondContact O-N 2.9Å; L666-G669 VanDerWaalsContact O-N 3.12Å; L667-G669 VanDerWaalsContact C-N 3.25Å
670	T	98.7	Very high	97.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.			trans	-80.3	131.8	175.1	-63.5	0	0	0	0	110.2	H640 A643 L665	H640-T670 HydrophobicContact CB-CG2 3.91Å; H640-T670 PolarHBondContact N-OG1 2.87Å; H640-T670 WeakPolarHBondContact O-CA 3.17Å; H640-T670 VanDerWaalsContact O-CB 3.28Å; H640-T670 WeakPolarHBondContact O-CB 3.42Å; H640-T670 WeakPolarHBondContact O-CG2 3.38Å; H640-T670 PolarHBondContact O-OG1 3.06Å; A643-T670 HydrophobicContact CB-CG2 3.96Å; L665-T670 HydrophobicContact CB-CG2 4.36Å; L665-T670 WeakPolarHBondContact O-CB 3.43Å; L665-T670 PolarHBondContact O-N 3.16Å
671	E	98.7	Very high	97.3	Very high	63 Å²	63	17.4 Å²	17.4	29%	0.294	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	151.9	168.1	-65.4	-179.8	-173.9	0	0	110.4	K641 C642 A643 R712 R741	K641-E671 PolarHBondContact O-N 3.36Å; C642-E671 CarbonylContact C-O 3.53Å; C642-E671 VanDerWaalsContact CA-O 3.24Å; C642-E671 WeakPolarHBondContact CA-O 3.47Å; C642-E671 HydrophobicContact CB-CB 4.12Å; A643-E671 PolarHBondContact N-O 3.42Å; E671-R712 CarbonylContact C-O 3.31Å; E671-R712 WeakPolarHBondContact CA-O 3.26Å; E671-R712 HydrophobicContact CG-CB 4.38Å; E671-R712 HydrophobicContact CG-CG 4.38Å; E671-R741 WeakPolarHBondContact OE2-CD 3.49Å; E671-R741 IonicContact OE2-NE 3.7Å
672	V	98.9	Very high	97	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.5	-176.1	-179.6	0	0	0	0	111	A643 I645 V662 L665 L666 R712 L713 L714	A643-V672 CarbonylContact O-C 3.42Å; A643-V672 WeakPolarHBondContact O-CA 3.48Å; I645-V672 HydrophobicContact CD1-CG1 3.92Å; I645-V672 HydrophobicContact CG1-CG1 4.24Å; V662-V672 HydrophobicContact CG1-CB 4.34Å; V662-V672 HydrophobicContact CG1-CG1 4.11Å; V662-V672 HydrophobicContact CG1-CG2 4.27Å; V662-V672 HydrophobicContact CG2-CG1 4.13Å; L665-V672 HydrophobicContact CB-CG2 4.11Å; L665-V672 HydrophobicContact CD1-CG2 4.36Å; L666-V672 HydrophobicContact CD2-CG2 4.22Å; L666-V672 HydrophobicContact CG-CG2 4.27Å; V672-R712 PolarHBondContact N-O 3.43Å; V672-L713 HydrophobicContact CB-CD1 3.86Å; V672-L713 HydrophobicContact CG1-CD1 3.81Å; V672-L713 CarbonylContact O-C 3.6Å; V672-L713 WeakPolarHBondContact O-CA 3.42Å; V672-L714 PolarHBondContact O-N 3.37Å
673	I	98.9	Very high	96.8	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109.9	165.1	-59.3	167.1	0	0	0	106.8	A643 L644 I645 L714 V716 L734 L737 V738 R741	A643-I673 PolarHBondContact O-N 2.96Å; L644-I673 CarbonylContact C-O 3.55Å; L644-I673 WeakPolarHBondContact CA-O 3.43Å; L644-I673 HydrophobicContact CD1-CB 3.98Å; L644-I673 HydrophobicContact CD1-CG2 3.67Å; I645-I673 PolarHBondContact N-O 2.95Å; I673-L714 CarbonylContact C-O 3.56Å; I673-L714 WeakPolarHBondContact CA-O 3.37Å; I673-V716 HydrophobicContact CG2-CG1 4.49Å; I673-V716 HydrophobicContact CG2-CG2 3.38Å; I673-L734 HydrophobicContact CG2-CD1 4.01Å; I673-L737 HydrophobicContact CD1-CD2 4.03Å; I673-L737 HydrophobicContact CD1-CG 3.83Å; I673-L737 HydrophobicContact CG1-CD2 4.03Å; I673-L737 HydrophobicContact CG1-CG 4.32Å; I673-L737 HydrophobicContact CG2-CD2 4.05Å; I673-V738 HydrophobicContact CD1-CG2 4.31Å; I673-R741 HydrophobicContact CD1-CB 4.19Å; I673-R741 HydrophobicContact CD1-CG 4.21Å
674	L	98.8	Very high	96.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	109.3	176.2	-176	61.2	0	0	0	109.3	I645 A647 I654 V658 F659 L713 L714 L715 V716	I645-L674 HydrophobicContact CB-CD1 4.02Å; I645-L674 HydrophobicContact CG2-CD1 4.02Å; A647-L674 HydrophobicContact CB-CD1 4.14Å; I654-L674 HydrophobicContact CD1-CD2 4.35Å; V658-L674 HydrophobicContact CG1-CD1 3.85Å; F659-L674 HydrophobicContact CE2-CD2 4.44Å; F659-L674 HydrophobicContact CZ-CD2 4.17Å; L674-L713 HydrophobicContact CB-CD1 4.26Å; L674-L714 PolarHBondContact N-O 2.86Å; L674-L715 HydrophobicContact CB-CG 4.42Å; L674-L715 HydrophobicContact CD2-CD2 4.1Å; L674-L715 HydrophobicContact CD2-CG 4.43Å; L674-L715 WeakPolarHBondContact O-CA 3.28Å; L674-V716 PolarHBondContact O-N 2.83Å
675	A	98.5	Very high	96.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.1	-176.9	0	0	0	0	0	111.2	L644 I645 F646 A647 V716 T718 L734	L644-A675 HydrophobicContact CD1-CB 4.01Å; I645-A675 PolarHBondContact O-N 3.39Å; F646-A675 HydrophobicContact CD1-CB 3.79Å; F646-A675 HydrophobicContact CE1-CB 3.97Å; F646-A675 HydrophobicContact CG-CB 4.48Å; A647-A675 PolarHBondContact N-O 3.49Å; A647-A675 VanDerWaalsContact N-O 3.14Å; A675-V716 WeakPolarHBondContact CA-O 3.42Å; A675-V716 HydrophobicContact CB-CG2 4.11Å; A675-T718 HydrophobicContact CB-CG2 3.93Å; A675-L734 HydrophobicContact CB-CD1 4.41Å; A675-L734 HydrophobicContact CB-CD2 4.15Å
676	C	97.9	Very high	96.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	162.4	-178.8	-58.8	0	0	0	0	110.8	V685 H687 S690 V716 Q717 T718	C676-V685 HydrophobicContact CB-CG1 4.36Å; C676-H687 HydrophobicContact CB-CB 4.48Å; C676-S690 VanDerWaalsContact SG-CB 3.57Å; C676-V716 PolarHBondContact N-O 3.05Å; C676-Q717 CarbonylContact O-C 3.47Å; C676-Q717 VanDerWaalsContact O-CA 3.31Å; C676-Q717 WeakPolarHBondContact O-CA 3.45Å; C676-T718 WeakPolarHBondContact O-CG2 3.42Å; C676-T718 PolarHBondContact O-N 3.17Å; C676-T718 PolarHBondContact O-OG1 2.91Å
677	N	96.5	Very high	96.4	Very high	2 Å²	2	18 Å²	18	1%	0.011	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-61.1	143.7	-178.9	-81.3	4.1	0	0	0	112.5	G679 D684 V685 T686 H687 T718 S722 R753	N677-G679 WeakPolarHBondContact CB-O 3.18Å; N677-D684 PolarHBondContact ND2-OD2 3.41Å; N677-V685 PolarHBondContact N-O 2.9Å; N677-T686 CarbonylContact O-C 3.57Å; N677-T686 WeakPolarHBondContact O-CA 3.49Å; N677-H687 PolarHBondContact O-N 3.14Å; N677-T718 WeakPolarHBondContact CA-OG1 3.33Å; N677-S722 PolarHBondContact ND2-O 3.39Å; N677-R753 VanDerWaalsContact CG-NH2 3.3Å; N677-R753 PolarHBondContact ND2-NH2 2.94Å; N677-R753 PolarHBondContact OD1-NH2 3.07Å
678	S	94	Very high	96.3	Very high	34 Å²	34	16.7 Å²	16.7	24%	0.238	11%	0.106	C	C	.	.	S	Bend	trans	-70	-40.5	173.9	-77.8	0	0	0	0	111.3	Q717 G719 S720	S678-Q717 WeakPolarHBondContact OG-CB 3.24Å; S678-Q717 WeakPolarHBondContact OG-CG 3.41Å; S678-Q717 PolarHBondContact OG-OE1 3.34Å; S678-G719 WeakPolarHBondContact OG-CA 3.31Å; S678-G719 PolarHBondContact OG-N 2.97Å; S678-S720 PolarHBondContact N-O 2.92Å
679	G	92.2	Very high	96.3	Very high	10 Å²	10	14.6 Å²	14.6	10%	0.103	10%	0.098	C	C	.	.	S	Bend	trans	-126.4	168	176.5	0	0	0	0	0	113.3	N677 S720 S721	N677-G679 WeakPolarHBondContact CB-O 3.18Å; G679-S720 PolarHBondContact N-O 3.49Å; G679-S721 VanDerWaalsContact CA-OG 3.25Å; G679-S721 WeakPolarHBondContact CA-OG 3.47Å; G679-S721 PolarHBondContact N-OG 3.29Å
680	P	93.3	Very high	96.2	Very high	27 Å²	27	12.3 Å²	12.3	18%	0.175	7%	0.074	C	C	.	.			trans	-64.4	143.7	-177.9	-20.2	33.1	0	0	0	112.8	D546 T686	D546-P680 HydrophobicContact CB-CB 3.79Å; D546-P680 HydrophobicContact CB-CG 3.86Å; P680-T686 HydrophobicContact CB-CG2 4.49Å; P680-T686 HydrophobicContact CG-CG2 4.28Å
681	A	92.5	Very high	96.1	Very high	1 Å²	1	16 Å²	16	1%	0.008	9%	0.094	C	C	.	.			trans	-154.9	118.8	169.2	0	0	0	0	0	108	N683 D684	A681-N683 PolarHBondContact O-N 3.42Å; A681-D684 WeakPolarHBondContact O-CB 3.36Å; A681-D684 PolarHBondContact O-N 3.28Å
682	L	92.2	Very high	96	Very high	8 Å²	8	13.7 Å²	13.7	4%	0.042	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-140.9	-170.7	-66.6	172.9	0	0	0	111.5	Y548 D684 P723	Y548-L682 VanDerWaalsContact CB-O 3.24Å; Y548-L682 WeakPolarHBondContact CB-O 3.04Å; Y548-L682 WeakPolarHBondContact CD2-O 3.49Å; Y548-L682 HydrophobicContact CE2-CD2 3.75Å; L682-D684 VanDerWaalsContact C-N 3.28Å; L682-P723 HydrophobicContact CD1-CB 3.93Å; L682-P723 HydrophobicContact CD1-CG 4.16Å
683	N	94.1	Very high	95.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	17.2	174	65.1	-64.5	0	0	0	113.2	Y548 K552 F592 W594 N649 S650 A681	Y548-N683 HydrophobicContact CD1-CB 4.35Å; K552-N683 HydrophobicContact CG-CB 4.09Å; F592-N683 PolarHBondContact O-ND2 2.95Å; W594-N683 HydrophobicContact CB-CB 4.45Å; W594-N683 HydrophobicContact CG-CB 4.42Å; W594-N683 PolarHBondContact N-OD1 2.66Å; N649-N683 PolarHBondContact OD1-ND2 2.92Å; N649-N683 VanDerWaalsContact OD1-ND2 3.11Å; N649-N683 PolarHBondContact OD1-OD1 3.39Å; S650-N683 WeakPolarHBondContact CB-O 3.47Å; S650-N683 PolarHBondContact N-O 2.96Å; S650-N683 PolarHBondContact OG-O 3.24Å; A681-N683 PolarHBondContact O-N 3.42Å
684	D	96.4	Very high	95.8	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.011	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	-61.4	146.7	177.4	-65.9	15	0	0	0	111.7	K552 D648 N677 A681 L682 P723 R753	K552-D684 WeakPolarHBondContact CD-O 3.34Å; D648-D684 WeakPolarHBondContact O-CA 3.4Å; D648-D684 WeakPolarHBondContact O-CB 3.39Å; N677-D684 PolarHBondContact ND2-OD2 3.41Å; A681-D684 WeakPolarHBondContact O-CB 3.36Å; A681-D684 PolarHBondContact O-N 3.28Å; L682-D684 VanDerWaalsContact C-N 3.28Å; D684-P723 VanDerWaalsContact OD2-CA 3.27Å; D684-P723 WeakPolarHBondContact OD2-CA 3.38Å; D684-R753 IonicContact OD1-NH1 2.79Å; D684-R753 IonicContact OD2-CZ 3.68Å; D684-R753 IonicContact OD2-NH1 3.32Å; D684-R753 PolarHBondContact OD2-NH1 3.28Å; D684-R753 IonicContact OD2-NH2 2.79Å; D684-R753 PolarHBondContact OD2-NH2 2.93Å
685	V	96.9	Very high	95.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-76.6	126.9	176.8	63.7	0	0	0	0	111.2	A647 D648 S650 I654 C676 N677 E689	A647-V685 HydrophobicContact CB-CG1 3.93Å; D648-V685 PolarHBondContact O-N 2.87Å; D648-V685 VanDerWaalsContact O-N 3.07Å; S650-V685 WeakPolarHBondContact OG-CA 3.34Å; I654-V685 HydrophobicContact CB-CG1 4.47Å; I654-V685 HydrophobicContact CD1-CB 4.25Å; I654-V685 HydrophobicContact CD1-CG1 3.84Å; I654-V685 HydrophobicContact CD1-CG2 3.76Å; I654-V685 HydrophobicContact CG2-CB 4.48Å; I654-V685 HydrophobicContact CG2-CG2 4.37Å; C676-V685 HydrophobicContact CB-CG1 4.36Å; N677-V685 PolarHBondContact N-O 2.9Å; V685-E689 HydrophobicContact CG2-CB 4.21Å
686	T	97.1	Very high	95.5	Very high	11 Å²	11	23.3 Å²	23.3	7%	0.067	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-86.9	158.6	172.2	65.2	0	0	0	0	111.6	N677 P680 S688 E689 S690	N677-T686 CarbonylContact O-C 3.57Å; N677-T686 WeakPolarHBondContact O-CA 3.49Å; P680-T686 HydrophobicContact CB-CG2 4.49Å; P680-T686 HydrophobicContact CG-CG2 4.28Å; T686-S688 VanDerWaalsContact C-N 3.31Å; T686-S688 PolarHBondContact O-N 3.34Å; T686-E689 WeakPolarHBondContact CB-OE2 3.41Å; T686-E689 WeakPolarHBondContact CG2-OE2 3.29Å; T686-E689 PolarHBondContact N-OE2 3.12Å; T686-E689 PolarHBondContact O-N 3.28Å; T686-E689 WeakPolarHBondContact OG1-CB 3.39Å; T686-E689 VanDerWaalsContact OG1-CG 3.23Å; T686-E689 WeakPolarHBondContact OG1-CG 3.22Å; T686-E689 PolarHBondContact OG1-N 3.45Å; T686-E689 PolarHBondContact OG1-OE2 3.38Å; T686-S690 WeakPolarHBondContact O-CB 3.27Å; T686-S690 PolarHBondContact O-N 3.38Å; T686-S690 PolarHBondContact O-OG 2.72Å
687	H	96.8	Very high	95.5	Very high	34 Å²	34	23.3 Å²	23.3	16%	0.157	13%	0.125	C	C	.	.	H	α-helix	trans	-54.6	-46.6	174.8	174	-112.7	0	0	0	111.8	C676 N677 E689 S690 L691 L715 Q717	C676-H687 HydrophobicContact CB-CB 4.48Å; N677-H687 PolarHBondContact O-N 3.14Å; H687-E689 VanDerWaalsContact C-N 3.35Å; H687-E689 PolarHBondContact O-N 2.68Å; H687-S690 WeakPolarHBondContact CA-OG 3.48Å; H687-S690 PolarHBondContact O-N 3.21Å; H687-S690 PolarHBondContact O-OG 3.47Å; H687-L691 WeakPolarHBondContact O-CG 3.46Å; H687-L691 PolarHBondContact O-N 3.34Å; H687-L715 PolarHBondContact NE2-O 3.47Å; H687-Q717 HydrophobicContact CB-CB 3.64Å
688	S	94.9	Very high	95.5	Very high	60 Å²	60	23.8 Å²	23.8	42%	0.42	13%	0.129	S	C	.	.	H	α-helix	trans	-60.8	-41.6	178.6	-61.6	0	0	0	0	112.6	T686	T686-S688 VanDerWaalsContact C-N 3.31Å; T686-S688 PolarHBondContact O-N 3.34Å
689	E	96.4	Very high	95.5	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.019	15%	0.153	C	C	.	.	H	α-helix	trans	-66.1	-43.6	175.1	-72.8	163	146.1	0	0	111.5	V86 K552 V685 T686 H687 L691 I692 V693	V86-E689 HydrophobicContact CB-CG 4.41Å; V86-E689 HydrophobicContact CG1-CG 3.81Å; V86-E689 HydrophobicContact CG2-CG 3.83Å; K552-E689 WeakPolarHBondContact CE-OE1 3.46Å; K552-E689 VanDerWaalsContact NZ-CD 3.29Å; K552-E689 IonicContact NZ-OE1 3.2Å; K552-E689 PolarHBondContact NZ-OE1 2.92Å; K552-E689 IonicContact NZ-OE2 3.93Å; K552-E689 PolarHBondContact NZ-OE2 3.24Å; V685-E689 HydrophobicContact CG2-CB 4.21Å; T686-E689 WeakPolarHBondContact CB-OE2 3.41Å; T686-E689 WeakPolarHBondContact CG2-OE2 3.29Å; T686-E689 PolarHBondContact N-OE2 3.12Å; T686-E689 PolarHBondContact O-N 3.28Å; T686-E689 WeakPolarHBondContact OG1-CB 3.39Å; T686-E689 VanDerWaalsContact OG1-CG 3.23Å; T686-E689 WeakPolarHBondContact OG1-CG 3.22Å; T686-E689 PolarHBondContact OG1-N 3.45Å; T686-E689 PolarHBondContact OG1-OE2 3.38Å; H687-E689 VanDerWaalsContact C-N 3.35Å; H687-E689 PolarHBondContact O-N 2.68Å; E689-L691 VanDerWaalsContact C-N 3.27Å; E689-L691 PolarHBondContact O-N 2.79Å; E689-I692 PolarHBondContact O-N 2.73Å; E689-V693 WeakPolarHBondContact O-CG2 3.49Å; E689-V693 PolarHBondContact O-N 3.47Å
690	S	96.9	Very high	95.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-33.3	-178.1	73.4	0	0	0	0	112.9	C676 T686 H687 V693 A694 L715	C676-S690 VanDerWaalsContact SG-CB 3.57Å; T686-S690 WeakPolarHBondContact O-CB 3.27Å; T686-S690 PolarHBondContact O-N 3.38Å; T686-S690 PolarHBondContact O-OG 2.72Å; H687-S690 WeakPolarHBondContact CA-OG 3.48Å; H687-S690 PolarHBondContact O-N 3.21Å; H687-S690 PolarHBondContact O-OG 3.47Å; S690-V693 PolarHBondContact O-N 3.34Å; S690-A694 VanDerWaalsContact O-CB 3.25Å; S690-A694 WeakPolarHBondContact O-CB 3.48Å; S690-A694 PolarHBondContact O-N 3.3Å; S690-L715 WeakPolarHBondContact O-CD2 3.44Å; S690-L715 WeakPolarHBondContact OG-CD2 3.19Å
691	L	97.1	Very high	95.9	Very high	79 Å²	79	28.2 Å²	28.2	41%	0.414	16%	0.162	S	C	.	.	H	α-helix	trans	-61.7	-46.6	175.1	-71.6	173.5	0	0	0	111.7	H687 E689 A694 E695 L715	H687-L691 WeakPolarHBondContact O-CG 3.46Å; H687-L691 PolarHBondContact O-N 3.34Å; E689-L691 VanDerWaalsContact C-N 3.27Å; E689-L691 PolarHBondContact O-N 2.79Å; L691-A694 PolarHBondContact O-N 3.08Å; L691-E695 PolarHBondContact O-N 2.83Å; L691-L715 HydrophobicContact CD2-CB 3.92Å
692	I	95.7	Very high	96.1	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.072	19%	0.192	C	C	.	.	H	α-helix	trans	-67.1	-42.4	179	-57.5	172.2	0	0	0	110.2	V86 Y104 E689 A694 E695 R696	V86-I692 HydrophobicContact CB-CD1 3.96Å; V86-I692 HydrophobicContact CG2-CD1 3.72Å; Y104-I692 HydrophobicContact CD1-CD1 4.44Å; Y104-I692 HydrophobicContact CD1-CG2 4.13Å; Y104-I692 HydrophobicContact CG-CD1 4.23Å; E689-I692 PolarHBondContact O-N 2.73Å; I692-A694 VanDerWaalsContact C-N 3.35Å; I692-A694 PolarHBondContact O-N 3.24Å; I692-E695 PolarHBondContact O-N 3.03Å; I692-R696 WeakPolarHBondContact O-CG 3.46Å; I692-R696 PolarHBondContact O-N 2.94Å
693	V	96.1	Very high	96.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-45.6	176.5	170.4	0	0	0	0	110.9	L560 I655 F659 E689 S690 E695 R696 I697	L560-V693 HydrophobicContact CD2-CG1 4.5Å; I655-V693 HydrophobicContact CD1-CG1 3.98Å; I655-V693 HydrophobicContact CD1-CG2 4.38Å; I655-V693 HydrophobicContact CG1-CG1 3.45Å; I655-V693 VanDerWaalsContact CG1-CG1 3.45Å; F659-V693 HydrophobicContact CD2-CG1 4.3Å; F659-V693 HydrophobicContact CE2-CG1 3.7Å; F659-V693 HydrophobicContact CZ-CG1 4.41Å; E689-V693 WeakPolarHBondContact O-CG2 3.49Å; E689-V693 PolarHBondContact O-N 3.47Å; S690-V693 PolarHBondContact O-N 3.34Å; V693-E695 VanDerWaalsContact C-N 3.35Å; V693-E695 PolarHBondContact O-N 3.41Å; V693-R696 PolarHBondContact O-N 2.98Å; V693-I697 HydrophobicContact CG1-CD1 3.78Å; V693-I697 HydrophobicContact CG1-CG1 4.47Å; V693-I697 WeakPolarHBondContact O-CG1 3.49Å; V693-I697 PolarHBondContact O-N 2.97Å
694	A	97.4	Very high	96.6	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	20%	0.198	C	C	.	.	H	α-helix	trans	-61	-42.5	177.7	0	0	0	0	0	112	F659 S690 L691 I692 I697 A698 L708 L715	F659-A694 HydrophobicContact CE1-CB 4.18Å; F659-A694 HydrophobicContact CZ-CB 3.81Å; S690-A694 VanDerWaalsContact O-CB 3.25Å; S690-A694 WeakPolarHBondContact O-CB 3.48Å; S690-A694 PolarHBondContact O-N 3.3Å; L691-A694 PolarHBondContact O-N 3.08Å; I692-A694 VanDerWaalsContact C-N 3.35Å; I692-A694 PolarHBondContact O-N 3.24Å; A694-I697 PolarHBondContact O-N 3.33Å; A694-A698 VanDerWaalsContact O-CB 3.3Å; A694-A698 WeakPolarHBondContact O-CB 3.47Å; A694-A698 PolarHBondContact O-N 3.47Å; A694-L708 HydrophobicContact CB-CD1 4.2Å; A694-L715 HydrophobicContact CB-CD1 3.78Å; A694-L715 HydrophobicContact CB-CD2 3.86Å
695	E	95.7	Very high	96.7	Very high	122 Å²	122	38.1 Å²	38.1	57%	0.57	22%	0.218	S	C	*	.	H	α-helix	trans	-61.3	-46.2	176.4	-175.9	-177.1	-164.2	0	0	111.7	L691 I692 V693 I697 A698 G699	L691-E695 PolarHBondContact O-N 2.83Å; I692-E695 PolarHBondContact O-N 3.03Å; V693-E695 VanDerWaalsContact C-N 3.35Å; V693-E695 PolarHBondContact O-N 3.41Å; E695-I697 PolarHBondContact O-N 2.78Å; E695-A698 PolarHBondContact O-N 3.42Å; E695-G699 PolarHBondContact O-N 2.92Å
696	R	95.5	Very high	96.7	Very high	79 Å²	79	39.5 Å²	39.5	30%	0.298	23%	0.227	S	C	.	.	H	α-helix	trans	-61.5	-44.6	176.6	-66.5	-69.1	-167.1	173.2	4.1	111.2	P103 L560 I692 V693 G699 M700	P103-R696 PolarHBondContact O-NH2 2.74Å; L560-R696 HydrophobicContact CD1-CB 4.13Å; L560-R696 HydrophobicContact CD1-CG 4.22Å; L560-R696 HydrophobicContact CD2-CB 3.91Å; I692-R696 WeakPolarHBondContact O-CG 3.46Å; I692-R696 PolarHBondContact O-N 2.94Å; V693-R696 PolarHBondContact O-N 2.98Å; R696-G699 PolarHBondContact O-N 2.96Å; R696-G699 VanDerWaalsContact O-N 3.16Å; R696-M700 HydrophobicContact CB-CE 4.13Å; R696-M700 WeakPolarHBondContact O-CE 3.38Å
697	I	96.9	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-41.5	177.4	-71.8	173.6	0	0	0	111.1	L560 F563 I655 F659 V693 A694 E695 G699 M700 D701 V704	L560-I697 HydrophobicContact CD2-CD1 4.44Å; L560-I697 HydrophobicContact CD2-CG1 3.81Å; F563-I697 HydrophobicContact CD1-CG1 4.5Å; F563-I697 HydrophobicContact CD1-CG2 4.47Å; F563-I697 HydrophobicContact CE1-CG1 4.46Å; F563-I697 HydrophobicContact CE1-CG2 3.68Å; F563-I697 HydrophobicContact CE2-CD1 4.33Å; F563-I697 HydrophobicContact CE2-CG2 4.3Å; F563-I697 HydrophobicContact CZ-CG1 4.5Å; F563-I697 HydrophobicContact CZ-CG2 3.56Å; I655-I697 HydrophobicContact CG1-CD1 4.38Å; I655-I697 HydrophobicContact CG2-CD1 4.22Å; F659-I697 HydrophobicContact CB-CD1 3.86Å; F659-I697 HydrophobicContact CD1-CD1 3.78Å; F659-I697 HydrophobicContact CD1-CG2 4.17Å; F659-I697 HydrophobicContact CD2-CD1 3.27Å; F659-I697 HydrophobicContact CE1-CD1 4.11Å; F659-I697 HydrophobicContact CE2-CD1 3.66Å; F659-I697 HydrophobicContact CG-CD1 3.35Å; F659-I697 HydrophobicContact CZ-CD1 4.07Å; V693-I697 HydrophobicContact CG1-CD1 3.78Å; V693-I697 HydrophobicContact CG1-CG1 4.47Å; V693-I697 WeakPolarHBondContact O-CG1 3.49Å; V693-I697 PolarHBondContact O-N 2.97Å; A694-I697 PolarHBondContact O-N 3.33Å; E695-I697 PolarHBondContact O-N 2.78Å; I697-G699 PolarHBondContact O-N 3.46Å; I697-M700 CarbonylContact O-C 3.56Å; I697-M700 WeakPolarHBondContact O-CA 3.44Å; I697-M700 PolarHBondContact O-N 3.35Å; I697-D701 PolarHBondContact O-N 2.94Å; I697-V704 HydrophobicContact CG2-CB 4.06Å; I697-V704 HydrophobicContact CG2-CG1 3.9Å; I697-V704 HydrophobicContact CG2-CG2 3.95Å
698	A	96.7	Very high	96.9	Very high	12 Å²	12	39.7 Å²	39.7	10%	0.099	23%	0.229	C	C	.	.	H	α-helix	trans	-62.4	-27.2	174.9	0	0	0	0	0	113	A694 E695 M700 V704 H705 L708	A694-A698 VanDerWaalsContact O-CB 3.3Å; A694-A698 WeakPolarHBondContact O-CB 3.47Å; A694-A698 PolarHBondContact O-N 3.47Å; E695-A698 PolarHBondContact O-N 3.42Å; A698-M700 PolarHBondContact O-N 3.29Å; A698-V704 HydrophobicContact CB-CG1 4.39Å; A698-H705 HydrophobicContact CB-CB 4.17Å; A698-H705 WeakPolarHBondContact O-CB 3.19Å; A698-H705 PolarHBondContact O-ND1 3.06Å; A698-L708 HydrophobicContact CB-CD1 3.73Å
699	G	95.2	Very high	97	Very high	72 Å²	72	45.4 Å²	45.4	74%	0.742	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-16.4	169.8	0	0	0	0	0	114.2	E695 R696 I697	E695-G699 PolarHBondContact O-N 2.92Å; R696-G699 PolarHBondContact O-N 2.96Å; R696-G699 VanDerWaalsContact O-N 3.16Å; I697-G699 PolarHBondContact O-N 3.46Å
700	M	95.7	Very high	97.1	Very high	84 Å²	84	49.4 Å²	49.4	41%	0.414	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-24.7	-173.9	-64.7	-177.7	-97.6	0	0	114	L560 P564 R696 I697 A698	L560-M700 HydrophobicContact CB-CE 4.4Å; L560-M700 HydrophobicContact CD2-CE 3.85Å; P564-M700 HydrophobicContact CG-SD 3.88Å; R696-M700 HydrophobicContact CB-CE 4.13Å; R696-M700 WeakPolarHBondContact O-CE 3.38Å; I697-M700 CarbonylContact O-C 3.56Å; I697-M700 WeakPolarHBondContact O-CA 3.44Å; I697-M700 PolarHBondContact O-N 3.35Å; A698-M700 PolarHBondContact O-N 3.29Å
701	D	97.6	Very high	97.1	Very high	8 Å²	8	55 Å²	55	4%	0.043	29%	0.286	C	S	.	.			trans	-128.6	121.7	-178.3	-180	-91.3	0	0	0	112.1	F563 R663 I697 V703 V704 H705	F563-D701 HydrophobicContact CE1-CB 3.99Å; F563-D701 HydrophobicContact CZ-CB 4.49Å; R663-D701 WeakPolarHBondContact CD-OD2 3.47Å; R663-D701 IonicContact CZ-OD2 2.7Å; R663-D701 IonicContact NE-OD1 3.86Å; R663-D701 IonicContact NE-OD2 2.85Å; R663-D701 PolarHBondContact NE-OD2 3.37Å; R663-D701 IonicContact NH2-OD2 3.16Å; I697-D701 PolarHBondContact O-N 2.94Å; D701-V703 VanDerWaalsContact C-N 3.32Å; D701-V703 PolarHBondContact O-N 3.48Å; D701-V703 WeakPolarHBondContact OD1-CA 3.44Å; D701-V703 VanDerWaalsContact OD1-CB 3.27Å; D701-V703 WeakPolarHBondContact OD1-CB 3.35Å; D701-V703 PolarHBondContact OD1-N 3.09Å; D701-V704 HydrophobicContact CB-CG2 4.48Å; D701-V704 PolarHBondContact OD1-N 3.01Å; D701-H705 WeakPolarHBondContact O-CB 3.37Å; D701-H705 PolarHBondContact O-N 3.16Å; D701-H705 VanDerWaalsContact O-N 3.07Å
702	P	97.1	Very high	97.2	Very high	99 Å²	99	53.9 Å²	53.9	64%	0.643	28%	0.276	S	S	*	.	H	α-helix	trans	-70.4	-24.4	-175	27.8	-34.9	0	0	0	113.7	S706	P702-S706 WeakPolarHBondContact O-CB 3.44Å; P702-S706 PolarHBondContact O-N 3.16Å
703	V	98.1	Very high	97.3	Very high	26 Å²	26	53.3 Å²	53.3	16%	0.158	27%	0.273	C	S	.	.	H	α-helix	trans	-70.5	-49.3	179.3	-179.4	0	0	0	0	109.3	R663 L666 L667 D701 H705 S706 A707	R663-V703 HydrophobicContact CG-CB 4.08Å; R663-V703 HydrophobicContact CG-CG1 4.08Å; R663-V703 HydrophobicContact CG-CG2 4.47Å; L666-V703 HydrophobicContact CB-CG1 4.04Å; L667-V703 HydrophobicContact CD2-CG1 4.09Å; L667-V703 HydrophobicContact CD2-CG2 3.73Å; L667-V703 HydrophobicContact CG-CG1 4.05Å; L667-V703 HydrophobicContact CG-CG2 4.24Å; D701-V703 VanDerWaalsContact C-N 3.32Å; D701-V703 PolarHBondContact O-N 3.48Å; D701-V703 WeakPolarHBondContact OD1-CA 3.44Å; D701-V703 VanDerWaalsContact OD1-CB 3.27Å; D701-V703 WeakPolarHBondContact OD1-CB 3.35Å; D701-V703 PolarHBondContact OD1-N 3.09Å; V703-H705 VanDerWaalsContact C-N 3.31Å; V703-H705 PolarHBondContact O-N 2.84Å; V703-S706 PolarHBondContact O-N 2.88Å; V703-A707 VanDerWaalsContact O-CB 3.31Å; V703-A707 WeakPolarHBondContact O-CB 3.18Å; V703-A707 PolarHBondContact O-N 3.36Å
704	V	98.1	Very high	97.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-41	176	178.5	0	0	0	0	110.5	F659 I697 A698 D701 A707 L708 L713	F659-V704 HydrophobicContact CE1-CG1 4.39Å; I697-V704 HydrophobicContact CG2-CB 4.06Å; I697-V704 HydrophobicContact CG2-CG1 3.9Å; I697-V704 HydrophobicContact CG2-CG2 3.95Å; A698-V704 HydrophobicContact CB-CG1 4.39Å; D701-V704 HydrophobicContact CB-CG2 4.48Å; D701-V704 PolarHBondContact OD1-N 3.01Å; V704-A707 PolarHBondContact O-N 3.49Å; V704-L708 HydrophobicContact CG1-CD1 4.22Å; V704-L708 HydrophobicContact CG1-CG 4.39Å; V704-L708 WeakPolarHBondContact O-CG 3.32Å; V704-L708 PolarHBondContact O-N 2.89Å; V704-L713 HydrophobicContact CG1-CD2 4.05Å
705	H	98.3	Very high	97.5	Very high	94 Å²	94	56 Å²	56	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-56.8	-52.3	176	-173.5	79.3	0	0	0	113.2	A698 D701 V703 A707 R709	A698-H705 HydrophobicContact CB-CB 4.17Å; A698-H705 WeakPolarHBondContact O-CB 3.19Å; A698-H705 PolarHBondContact O-ND1 3.06Å; D701-H705 WeakPolarHBondContact O-CB 3.37Å; D701-H705 PolarHBondContact O-N 3.16Å; D701-H705 VanDerWaalsContact O-N 3.07Å; V703-H705 VanDerWaalsContact C-N 3.31Å; V703-H705 PolarHBondContact O-N 2.84Å; H705-A707 VanDerWaalsContact C-N 3.35Å; H705-R709 PolarHBondContact O-N 2.88Å
706	S	98.3	Very high	97.6	Very high	28 Å²	28	51.4 Å²	51.4	20%	0.196	27%	0.267	C	S	.	.	H	α-helix	trans	-62.3	-42.8	177.7	155.1	0	0	0	0	111.1	P702 V703 L708 R709 E710 R712	P702-S706 WeakPolarHBondContact O-CB 3.44Å; P702-S706 PolarHBondContact O-N 3.16Å; V703-S706 PolarHBondContact O-N 2.88Å; S706-L708 PolarHBondContact O-N 3.35Å; S706-R709 PolarHBondContact O-N 2.94Å; S706-E710 VanDerWaalsContact O-CB 3.29Å; S706-E710 WeakPolarHBondContact O-CB 3.34Å; S706-E710 VanDerWaalsContact O-CG 3.3Å; S706-E710 WeakPolarHBondContact O-CG 3.35Å; S706-E710 PolarHBondContact O-N 3.05Å; S706-E710 PolarHBondContact OG-OE1 2.9Å; S706-E710 PolarHBondContact OG-OE2 3.24Å; S706-R712 PolarHBondContact OG-NH2 3.43Å
707	A	98.4	Very high	97.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-40	-179	0	0	0	0	0	113.8	L666 V703 V704 H705 E711 R712 L713	L666-A707 HydrophobicContact CD1-CB 3.54Å; L666-A707 HydrophobicContact CD2-CB 3.65Å; L666-A707 HydrophobicContact CG-CB 4.15Å; V703-A707 VanDerWaalsContact O-CB 3.31Å; V703-A707 WeakPolarHBondContact O-CB 3.18Å; V703-A707 PolarHBondContact O-N 3.36Å; V704-A707 PolarHBondContact O-N 3.49Å; H705-A707 VanDerWaalsContact C-N 3.35Å; A707-E711 PolarHBondContact O-N 3.5Å; A707-R712 HydrophobicContact CB-CB 4.26Å; A707-R712 PolarHBondContact O-N 3.48Å; A707-L713 HydrophobicContact CB-CB 3.92Å; A707-L713 PolarHBondContact O-N 2.96Å
708	L	98.3	Very high	97.6	Very high	50 Å²	50	49.3 Å²	49.3	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-45.2	174.1	-71.4	175.3	0	0	0	111.3	A694 A698 V704 S706 E710 E711 L713 L715	A694-L708 HydrophobicContact CB-CD1 4.2Å; A698-L708 HydrophobicContact CB-CD1 3.73Å; V704-L708 HydrophobicContact CG1-CD1 4.22Å; V704-L708 HydrophobicContact CG1-CG 4.39Å; V704-L708 WeakPolarHBondContact O-CG 3.32Å; V704-L708 PolarHBondContact O-N 2.89Å; S706-L708 PolarHBondContact O-N 3.35Å; L708-E710 VanDerWaalsContact C-N 3.31Å; L708-E710 PolarHBondContact O-N 3.21Å; L708-E711 PolarHBondContact O-N 2.85Å; L708-L713 HydrophobicContact CD2-CB 4.09Å; L708-L713 HydrophobicContact CD2-CD2 3.81Å; L708-L713 HydrophobicContact CD2-CG 3.81Å; L708-L713 HydrophobicContact CG-CD2 4.21Å; L708-L715 HydrophobicContact CD2-CD1 3.61Å
709	R	97.9	Very high	97.3	Very high	180 Å²	180	49.7 Å²	49.7	68%	0.679	27%	0.266	S	S	*	.	H	α-helix	trans	-65.4	-34.2	-179.1	-171.4	-174	67.4	-175.7	-1.6	112.8	H705 S706 E711	H705-R709 PolarHBondContact O-N 2.88Å; S706-R709 PolarHBondContact O-N 2.94Å; R709-E711 VanDerWaalsContact C-N 3.34Å
710	E	97.7	Very high	97	Very high	88 Å²	88	47.4 Å²	47.4	41%	0.411	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	6.3	180	-68.2	158.5	-155.6	0	0	113	S706 L708 R712	S706-E710 VanDerWaalsContact O-CB 3.29Å; S706-E710 WeakPolarHBondContact O-CB 3.34Å; S706-E710 VanDerWaalsContact O-CG 3.3Å; S706-E710 WeakPolarHBondContact O-CG 3.35Å; S706-E710 PolarHBondContact O-N 3.05Å; S706-E710 PolarHBondContact OG-OE1 2.9Å; S706-E710 PolarHBondContact OG-OE2 3.24Å; L708-E710 VanDerWaalsContact C-N 3.31Å; L708-E710 PolarHBondContact O-N 3.21Å; E710-R712 HydrophobicContact CB-CG 4.2Å; E710-R712 PolarHBondContact O-N 3.45Å; E710-R712 VanDerWaalsContact O-N 3.12Å; E710-R712 IonicContact OE2-CZ 2.68Å; E710-R712 IonicContact OE2-NE 2.57Å; E710-R712 PolarHBondContact OE2-NE 2.94Å; E710-R712 IonicContact OE2-NH2 3.86Å; E710-R712 PolarHBondContact OE2-NH2 2.97Å
711	E	97.8	Very high	96.7	Very high	117 Å²	117	46.3 Å²	46.3	55%	0.547	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	23.4	-177.3	-59.4	-175.5	-177.2	0	0	114.7	A707 L708 R709 L714 R741	A707-E711 PolarHBondContact O-N 3.5Å; L708-E711 PolarHBondContact O-N 2.85Å; R709-E711 VanDerWaalsContact C-N 3.34Å; E711-L714 HydrophobicContact CB-CD2 4.08Å; E711-L714 HydrophobicContact CG-CD2 4.41Å; E711-R741 IonicContact OE2-NH2 2.75Å
712	R	98.3	Very high	96.5	Very high	56 Å²	56	46.2 Å²	46.2	21%	0.211	24%	0.239	C	C	.	.	S	Bend	trans	-81.8	-18.7	171.3	-63	-169.4	-64.7	112.5	-0.8	112.5	L666 E671 V672 S706 A707 E710	L666-R712 HydrophobicContact CD2-CB 4.11Å; L666-R712 PolarHBondContact O-NH1 2.62Å; E671-R712 CarbonylContact C-O 3.31Å; E671-R712 WeakPolarHBondContact CA-O 3.26Å; E671-R712 HydrophobicContact CG-CB 4.38Å; E671-R712 HydrophobicContact CG-CG 4.38Å; V672-R712 PolarHBondContact N-O 3.43Å; S706-R712 PolarHBondContact OG-NH2 3.43Å; A707-R712 HydrophobicContact CB-CB 4.26Å; A707-R712 PolarHBondContact O-N 3.48Å; E710-R712 HydrophobicContact CB-CG 4.2Å; E710-R712 PolarHBondContact O-N 3.45Å; E710-R712 VanDerWaalsContact O-N 3.12Å; E710-R712 IonicContact OE2-CZ 2.68Å; E710-R712 IonicContact OE2-NE 2.57Å; E710-R712 PolarHBondContact OE2-NE 2.94Å; E710-R712 IonicContact OE2-NH2 3.86Å; E710-R712 PolarHBondContact OE2-NH2 2.97Å
713	L	98.8	Very high	96.3	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.9	167.6	174.2	60	0	0	0	108.7	F659 V662 L666 V672 L674 V704 A707 L708 L715	F659-L713 HydrophobicContact CE1-CD2 4.25Å; V662-L713 HydrophobicContact CG1-CD1 3.83Å; V662-L713 HydrophobicContact CG1-CD2 4.13Å; L666-L713 HydrophobicContact CD1-CB 4.34Å; L666-L713 HydrophobicContact CD1-CD2 4.44Å; L666-L713 HydrophobicContact CD2-CB 4.41Å; V672-L713 HydrophobicContact CB-CD1 3.86Å; V672-L713 HydrophobicContact CG1-CD1 3.81Å; V672-L713 CarbonylContact O-C 3.6Å; V672-L713 WeakPolarHBondContact O-CA 3.42Å; L674-L713 HydrophobicContact CB-CD1 4.26Å; V704-L713 HydrophobicContact CG1-CD2 4.05Å; A707-L713 HydrophobicContact CB-CB 3.92Å; A707-L713 PolarHBondContact O-N 2.96Å; L708-L713 HydrophobicContact CD2-CB 4.09Å; L708-L713 HydrophobicContact CD2-CD2 3.81Å; L708-L713 HydrophobicContact CD2-CG 3.81Å; L708-L713 HydrophobicContact CG-CD2 4.21Å; L713-L715 HydrophobicContact CG-CD1 4.34Å
714	L	98.6	Very high	96.2	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.199	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.7	178.7	-64.5	175.2	0	0	0	109.9	V672 I673 L674 E711 L737	V672-L714 PolarHBondContact O-N 3.37Å; I673-L714 CarbonylContact C-O 3.56Å; I673-L714 WeakPolarHBondContact CA-O 3.37Å; L674-L714 PolarHBondContact N-O 2.86Å; E711-L714 HydrophobicContact CB-CD2 4.08Å; E711-L714 HydrophobicContact CG-CD2 4.41Å; L714-L737 HydrophobicContact CB-CD2 4.34Å; L714-L737 HydrophobicContact CD1-CD1 3.85Å; L714-L737 HydrophobicContact CD1-CD2 3.86Å; L714-L737 HydrophobicContact CD1-CG 4.36Å
715	L	98.4	Very high	96.1	Very high	21 Å²	21	40.8 Å²	40.8	11%	0.11	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123.2	174.5	-67	95.8	0	0	0	109.8	L674 H687 S690 L691 A694 L708 L713	L674-L715 HydrophobicContact CB-CG 4.42Å; L674-L715 HydrophobicContact CD2-CD2 4.1Å; L674-L715 HydrophobicContact CD2-CG 4.43Å; L674-L715 WeakPolarHBondContact O-CA 3.28Å; H687-L715 PolarHBondContact NE2-O 3.47Å; S690-L715 WeakPolarHBondContact O-CD2 3.44Å; S690-L715 WeakPolarHBondContact OG-CD2 3.19Å; L691-L715 HydrophobicContact CD2-CB 3.92Å; A694-L715 HydrophobicContact CB-CD1 3.78Å; A694-L715 HydrophobicContact CB-CD2 3.86Å; L708-L715 HydrophobicContact CD2-CD1 3.61Å; L713-L715 HydrophobicContact CG-CD1 4.34Å
716	V	97.6	Very high	96	Very high	25 Å²	25	37.3 Å²	37.3	15%	0.152	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.1	-174.8	-63.9	0	0	0	0	111	I673 L674 A675 C676 L734 L737	I673-V716 HydrophobicContact CG2-CG1 4.49Å; I673-V716 HydrophobicContact CG2-CG2 3.38Å; L674-V716 PolarHBondContact O-N 2.83Å; A675-V716 WeakPolarHBondContact CA-O 3.42Å; A675-V716 HydrophobicContact CB-CG2 4.11Å; C676-V716 PolarHBondContact N-O 3.05Å; V716-L734 HydrophobicContact CG2-CD1 3.62Å; V716-L737 HydrophobicContact CG1-CD2 3.64Å
717	Q	96.3	Very high	95.9	Very high	34 Å²	34	36 Å²	36	16%	0.159	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	147.2	179.3	71.4	-170.5	-62.4	0	0	110.9	R442 C676 S678 H687	R442-Q717 VanDerWaalsContact CZ-NE2 3.29Å; C676-Q717 CarbonylContact O-C 3.47Å; C676-Q717 VanDerWaalsContact O-CA 3.31Å; C676-Q717 WeakPolarHBondContact O-CA 3.45Å; S678-Q717 WeakPolarHBondContact OG-CB 3.24Å; S678-Q717 WeakPolarHBondContact OG-CG 3.41Å; S678-Q717 PolarHBondContact OG-OE1 3.34Å; H687-Q717 HydrophobicContact CB-CB 3.64Å
718	T	95.7	Very high	95.6	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	19%	0.188	C	C	.	.			trans	-81.9	-19.9	-178.8	56.8	0	0	0	0	113.7	F646 A675 C676 N677 S720 L730 D731	F646-T718 HydrophobicContact CD1-CG2 3.87Å; F646-T718 HydrophobicContact CE1-CG2 4.03Å; A675-T718 HydrophobicContact CB-CG2 3.93Å; C676-T718 WeakPolarHBondContact O-CG2 3.42Å; C676-T718 PolarHBondContact O-N 3.17Å; C676-T718 PolarHBondContact O-OG1 2.91Å; N677-T718 WeakPolarHBondContact CA-OG1 3.33Å; T718-S720 VanDerWaalsContact C-N 3.27Å; T718-S720 PolarHBondContact OG1-N 2.86Å; T718-L730 CarbonylContact O-C 3.59Å; T718-L730 WeakPolarHBondContact O-CA 3.4Å; T718-D731 PolarHBondContact O-N 3.19Å
719	G	91.6	Very high	95.2	Very high	19 Å²	19	37 Å²	37	20%	0.196	18%	0.184	C	C	.	.	S	Bend	trans	82.3	2.8	-168.1	0	0	0	0	0	113.9	S678	S678-G719 WeakPolarHBondContact OG-CA 3.31Å; S678-G719 PolarHBondContact OG-N 2.97Å
720	S	88.5	Confident	95.1	Very high	24 Å²	24	28.5 Å²	28.5	17%	0.168	15%	0.152	C	C	.	.			trans	-109.1	151.4	-179.3	-177.7	0	0	0	0	112.2	S678 G679 T718 S722	S678-S720 PolarHBondContact N-O 2.92Å; G679-S720 PolarHBondContact N-O 3.49Å; T718-S720 VanDerWaalsContact C-N 3.27Å; T718-S720 PolarHBondContact OG1-N 2.86Å; S720-S722 WeakPolarHBondContact OG-CB 3.3Å; S720-S722 PolarHBondContact OG-N 2.9Å
721	S	89.9	Confident	94.9	Very high	61 Å²	61	25 Å²	25	43%	0.427	14%	0.136	S	C	.	.			trans	-127.3	46.1	168.4	-53.5	0	0	0	0	109.4	G679	G679-S721 VanDerWaalsContact CA-OG 3.25Å; G679-S721 WeakPolarHBondContact CA-OG 3.47Å; G679-S721 PolarHBondContact N-OG 3.29Å
722	S	92.6	Very high	94.8	Very high	7 Å²	7	25.4 Å²	25.4	5%	0.049	14%	0.136	C	C	.	.	S	Bend	trans	-128.3	146.8	-178.9	-174.3	0	0	0	0	109.6	D533 N677 S720 C724	D533-S722 VanDerWaalsContact OD1-CB 3.29Å; D533-S722 WeakPolarHBondContact OD1-CB 3.22Å; D533-S722 PolarHBondContact OD1-OG 3.37Å; N677-S722 PolarHBondContact ND2-O 3.39Å; S720-S722 WeakPolarHBondContact OG-CB 3.3Å; S720-S722 PolarHBondContact OG-N 2.9Å; S722-C724 PolarHBondContact O-N 2.9Å; S722-C724 PolarHBondContact OG-N 3.4Å
723	P	93.1	Very high	94.6	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.039	15%	0.146	C	C	.	.	S	Bend	trans	-74.7	-5.8	171.7	34.8	-37.5	0	0	0	113.3	L532 L682 D684 G752 R753	L532-P723 HydrophobicContact CB-CG 3.88Å; L532-P723 HydrophobicContact CD1-CG 3.66Å; L532-P723 HydrophobicContact CD2-CG 4.13Å; L532-P723 HydrophobicContact CG-CG 4.07Å; L682-P723 HydrophobicContact CD1-CB 3.93Å; L682-P723 HydrophobicContact CD1-CG 4.16Å; D684-P723 VanDerWaalsContact OD2-CA 3.27Å; D684-P723 WeakPolarHBondContact OD2-CA 3.38Å; P723-G752 WeakPolarHBondContact O-CA 3.48Å; P723-R753 PolarHBondContact O-NH1 2.96Å
724	C	96.2	Very high	94.6	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	15%	0.146	C	C	.	.	S	Bend	trans	-106.9	161.4	171.9	-66.7	0	0	0	0	110.2	R529 S722 T757	R529-C724 HydrophobicContact CB-CB 3.82Å; R529-C724 HydrophobicContact CG-CB 3.65Å; S722-C724 PolarHBondContact O-N 2.9Å; S722-C724 PolarHBondContact OG-N 3.4Å; C724-T757 HydrophobicContact CB-CG2 3.76Å
725	L	96.2	Very high	94.5	Very high	2 Å²	2	23 Å²	23	1%	0.01	14%	0.137	C	C	.	.			trans	-120.9	119	-174.7	179.5	66.5	0	0	0	110.8	F646 L727 L730 I748 R753 T757 N758	F646-L725 HydrophobicContact CB-CD2 3.96Å; F646-L725 HydrophobicContact CD1-CD1 3.9Å; F646-L725 HydrophobicContact CD1-CD2 3.67Å; F646-L725 HydrophobicContact CD1-CG 4.46Å; F646-L725 HydrophobicContact CD2-CD2 3.85Å; F646-L725 HydrophobicContact CE1-CD1 3.95Å; F646-L725 HydrophobicContact CE1-CD2 4.05Å; F646-L725 HydrophobicContact CE2-CD2 4.21Å; F646-L725 HydrophobicContact CG-CD2 3.55Å; F646-L725 HydrophobicContact CZ-CD2 4.3Å; L725-L727 HydrophobicContact CD1-CD2 4.38Å; L725-L727 HydrophobicContact CD2-CD2 3.67Å; L725-L727 HydrophobicContact CD2-CG 4.46Å; L725-L727 HydrophobicContact CG-CD2 3.86Å; L725-L727 HydrophobicContact CG-CG 4.43Å; L725-L730 HydrophobicContact CD1-CD2 3.85Å; L725-I748 HydrophobicContact CD2-CG2 4.1Å; L725-R753 HydrophobicContact CB-CB 3.98Å; L725-R753 HydrophobicContact CB-CG 3.99Å; L725-T757 PolarHBondContact N-OG1 3.35Å; L725-T757 VanDerWaalsContact N-OG1 3.12Å; L725-T757 WeakPolarHBondContact O-CB 3.43Å; L725-T757 PolarHBondContact O-OG1 2.93Å; L725-N758 PolarHBondContact O-ND2 3.1Å
726	D	95	Very high	94.5	Very high	21 Å²	21	24.4 Å²	24.4	11%	0.112	15%	0.152	C	C	.	.			trans	-103.4	103.8	171.3	-177.3	-8.2	0	0	0	109.4	Y456 P458 S728 R729	Y456-D726 WeakPolarHBondContact CE1-OD1 3.36Å; P458-D726 HydrophobicContact CB-CB 4.29Å; D726-S728 VanDerWaalsContact CG-OG 3.27Å; D726-S728 PolarHBondContact O-N 2.82Å; D726-S728 VanDerWaalsContact OD1-CB 3.32Å; D726-S728 WeakPolarHBondContact OD1-CB 3.27Å; D726-S728 PolarHBondContact OD1-N 2.9Å; D726-S728 PolarHBondContact OD1-OG 3Å; D726-S728 PolarHBondContact OD2-OG 3.45Å; D726-R729 HydrophobicContact CB-CB 4.46Å; D726-R729 CarbonylContact O-C 3.48Å; D726-R729 PolarHBondContact O-N 3.18Å
727	L	96.3	Very high	94.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.9	-179.4	-62.1	177.5	0	0	0	112.8	N446 L447 L450 Y456 F646 L725 R729 L730 I748 N758 A761 L763	N446-L727 CarbonylContact C-O 3.3Å; L447-L727 HydrophobicContact CB-CB 4.14Å; L447-L727 WeakPolarHBondContact CB-O 3.44Å; L447-L727 HydrophobicContact CD2-CD1 4.13Å; L447-L727 HydrophobicContact CD2-CD2 4.11Å; L447-L727 PolarHBondContact N-O 2.81Å; L450-L727 HydrophobicContact CD1-CB 4.02Å; L450-L727 WeakPolarHBondContact CD1-O 3.37Å; L450-L727 HydrophobicContact CD2-CB 4.15Å; L450-L727 HydrophobicContact CD2-CD1 4.24Å; L450-L727 HydrophobicContact CG-CB 4.25Å; Y456-L727 HydrophobicContact CE1-CB 4.09Å; Y456-L727 HydrophobicContact CE2-CB 4.28Å; Y456-L727 HydrophobicContact CE2-CD1 4.43Å; Y456-L727 WeakPolarHBondContact OH-CB 3.37Å; Y456-L727 PolarHBondContact OH-N 3.17Å; F646-L727 HydrophobicContact CE2-CD2 3.99Å; F646-L727 HydrophobicContact CZ-CD2 3.85Å; L725-L727 HydrophobicContact CD1-CD2 4.38Å; L725-L727 HydrophobicContact CD2-CD2 3.67Å; L725-L727 HydrophobicContact CD2-CG 4.46Å; L725-L727 HydrophobicContact CG-CD2 3.86Å; L725-L727 HydrophobicContact CG-CG 4.43Å; L727-R729 VanDerWaalsContact C-N 3.27Å; L727-L730 HydrophobicContact CD2-CD1 4.15Å; L727-I748 HydrophobicContact CD1-CD1 4.26Å; L727-N758 WeakPolarHBondContact CD1-OD1 3.17Å; L727-N758 WeakPolarHBondContact CG-OD1 3.22Å; L727-A761 HydrophobicContact CD1-CB 4.35Å; L727-L763 HydrophobicContact CD1-CD2 4.3Å
728	S	92.1	Very high	94.6	Very high	27 Å²	27	22.8 Å²	22.8	19%	0.189	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-10.6	170.6	74.8	0	0	0	0	112.9	V445 N446 D726	V445-S728 CarbonylContact C-O 3.59Å; V445-S728 VanDerWaalsContact C-O 3.28Å; N446-S728 PolarHBondContact N-O 3Å; N446-S728 WeakPolarHBondContact OD1-CA 3.32Å; N446-S728 VanDerWaalsContact OD1-CB 3.26Å; N446-S728 WeakPolarHBondContact OD1-CB 3.34Å; N446-S728 PolarHBondContact OD1-O 3.12Å; D726-S728 VanDerWaalsContact CG-OG 3.27Å; D726-S728 PolarHBondContact O-N 2.82Å; D726-S728 VanDerWaalsContact OD1-CB 3.32Å; D726-S728 WeakPolarHBondContact OD1-CB 3.27Å; D726-S728 PolarHBondContact OD1-N 2.9Å; D726-S728 PolarHBondContact OD1-OG 3Å; D726-S728 PolarHBondContact OD2-OG 3.45Å
729	R	91.4	Very high	94.7	Very high	46 Å²	46	30.9 Å²	30.9	17%	0.174	17%	0.174	C	C	.	.	S	Bend	trans	-135.7	71.3	-172.5	-62	-172.8	68.5	105.4	-5.6	112.1	N186 W404 L444 D726 L727	N186-R729 PolarHBondContact O-NH1 2.66Å; W404-R729 PolarHBondContact O-NH2 2.77Å; L444-R729 HydrophobicContact CB-CB 4.28Å; L444-R729 HydrophobicContact CD1-CB 4.05Å; D726-R729 HydrophobicContact CB-CB 4.46Å; D726-R729 CarbonylContact O-C 3.48Å; D726-R729 PolarHBondContact O-N 3.18Å; L727-R729 VanDerWaalsContact C-N 3.27Å
730	L	94.6	Very high	95	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	154.9	176.9	-61.4	-178.6	0	0	0	112.5	L444 V445 L447 F646 T718 L725 L727 K732 L734	L444-L730 CarbonylContact C-O 3.5Å; L444-L730 VanDerWaalsContact CA-O 3.24Å; L444-L730 WeakPolarHBondContact CA-O 3.31Å; V445-L730 PolarHBondContact N-O 2.83Å; V445-L730 PolarHBondContact O-N 3.12Å; L447-L730 HydrophobicContact CB-CD1 3.72Å; L447-L730 HydrophobicContact CD1-CD1 3.64Å; L447-L730 HydrophobicContact CG-CD1 4.25Å; F646-L730 HydrophobicContact CE1-CD1 4.27Å; F646-L730 HydrophobicContact CE1-CD2 4.15Å; F646-L730 HydrophobicContact CZ-CD1 3.93Å; T718-L730 CarbonylContact O-C 3.59Å; T718-L730 WeakPolarHBondContact O-CA 3.4Å; L725-L730 HydrophobicContact CD1-CD2 3.85Å; L727-L730 HydrophobicContact CD2-CD1 4.15Å; L730-K732 PolarHBondContact O-N 3Å; L730-L734 HydrophobicContact CB-CD2 4.4Å; L730-L734 HydrophobicContact CD1-CD2 4.26Å
731	D	95	Very high	95.4	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.07	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	130.6	172.6	176.9	71.5	0	0	0	111.5	R442 T718 G733 L734 A735	R442-D731 WeakPolarHBondContact CB-OD1 3.41Å; R442-D731 WeakPolarHBondContact CD-OD1 3.39Å; T718-D731 PolarHBondContact O-N 3.19Å; D731-G733 PolarHBondContact O-N 3.23Å; D731-G733 WeakPolarHBondContact OD2-CA 3.38Å; D731-G733 PolarHBondContact OD2-N 2.85Å; D731-L734 HydrophobicContact CB-CB 4.18Å; D731-L734 WeakPolarHBondContact O-CB 3.26Å; D731-L734 PolarHBondContact O-N 2.83Å; D731-L734 VanDerWaalsContact O-N 3.16Å; D731-L734 PolarHBondContact OD2-N 2.97Å; D731-A735 PolarHBondContact O-N 3.43Å
732	K	94.2	Very high	95.8	Very high	126 Å²	126	35.7 Å²	35.7	55%	0.548	19%	0.188	S	C	.	.	H	α-helix	trans	-58.4	-34.1	179.6	-177.1	-179.9	177.2	-177.3	0	113	P443 V445 L730 A736	P443-K732 HydrophobicContact CG-CB 3.96Å; P443-K732 HydrophobicContact CG-CD 3.9Å; P443-K732 WeakPolarHBondContact O-CB 3.37Å; P443-K732 PolarHBondContact O-N 3.38Å; P443-K732 VanDerWaalsContact O-N 3.14Å; V445-K732 HydrophobicContact CG1-CB 4.45Å; V445-K732 HydrophobicContact CG1-CG 4.5Å; V445-K732 HydrophobicContact CG2-CB 4.36Å; L730-K732 PolarHBondContact O-N 3Å; K732-A736 WeakPolarHBondContact O-CB 3.17Å; K732-A736 PolarHBondContact O-N 3.39Å
733	G	95.5	Very high	96.1	Very high	42 Å²	42	35.7 Å²	35.7	43%	0.433	19%	0.188	S	C	.	.	H	α-helix	trans	-66.7	-45.3	175.9	0	0	0	0	0	112	D731 A736 L737	D731-G733 PolarHBondContact O-N 3.23Å; D731-G733 WeakPolarHBondContact OD2-CA 3.38Å; D731-G733 PolarHBondContact OD2-N 2.85Å; G733-A736 PolarHBondContact O-N 3.42Å; G733-L737 WeakPolarHBondContact O-CB 3.4Å; G733-L737 PolarHBondContact O-N 3.05Å
734	L	97.6	Very high	96.3	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-57	-50.2	171.4	166.5	59.4	0	0	0	111.2	L644 F646 I673 A675 V716 L730 D731 A736 L737 V738	L644-L734 HydrophobicContact CD1-CD1 3.73Å; F646-L734 HydrophobicContact CE1-CD2 4.14Å; I673-L734 HydrophobicContact CG2-CD1 4.01Å; A675-L734 HydrophobicContact CB-CD1 4.41Å; A675-L734 HydrophobicContact CB-CD2 4.15Å; V716-L734 HydrophobicContact CG2-CD1 3.62Å; L730-L734 HydrophobicContact CB-CD2 4.4Å; L730-L734 HydrophobicContact CD1-CD2 4.26Å; D731-L734 HydrophobicContact CB-CB 4.18Å; D731-L734 WeakPolarHBondContact O-CB 3.26Å; D731-L734 PolarHBondContact O-N 2.83Å; D731-L734 VanDerWaalsContact O-N 3.16Å; D731-L734 PolarHBondContact OD2-N 2.97Å; L734-A736 VanDerWaalsContact C-N 3.29Å; L734-A736 PolarHBondContact O-N 3.36Å; L734-L737 PolarHBondContact O-N 3.38Å; L734-V738 HydrophobicContact CD1-CG2 3.83Å; L734-V738 VanDerWaalsContact O-CG2 3.28Å; L734-V738 WeakPolarHBondContact O-CG2 3.46Å; L734-V738 PolarHBondContact O-N 3.45Å
735	A	97.1	Very high	96.4	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.017	20%	0.198	C	C	.	.	H	α-helix	trans	-61.3	-36	179.6	0	0	0	0	0	113	V445 D731 R739	V445-A735 HydrophobicContact CG2-CB 3.48Å; V445-A735 VanDerWaalsContact CG2-CB 3.48Å; D731-A735 PolarHBondContact O-N 3.43Å; A735-R739 PolarHBondContact O-N 2.96Å
736	A	97.7	Very high	96.6	Very high	51 Å²	51	37.6 Å²	37.6	42%	0.421	20%	0.198	S	C	.	.	H	α-helix	trans	-66.4	-45.8	174.3	0	0	0	0	0	111.6	K732 G733 L734 V738 R739 E740	K732-A736 WeakPolarHBondContact O-CB 3.17Å; K732-A736 PolarHBondContact O-N 3.39Å; G733-A736 PolarHBondContact O-N 3.42Å; L734-A736 VanDerWaalsContact C-N 3.29Å; L734-A736 PolarHBondContact O-N 3.36Å; A736-V738 VanDerWaalsContact C-N 3.34Å; A736-V738 PolarHBondContact O-N 3.17Å; A736-R739 PolarHBondContact O-N 3.11Å; A736-R739 VanDerWaalsContact O-N 3.17Å; A736-E740 PolarHBondContact O-N 2.72Å
737	L	98	Very high	96.7	Very high	24 Å²	24	36.7 Å²	36.7	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-40.6	179.9	-174.9	66	0	0	0	112.2	I673 L714 V716 G733 L734 R739 E740 R741	I673-L737 HydrophobicContact CD1-CD2 4.03Å; I673-L737 HydrophobicContact CD1-CG 3.83Å; I673-L737 HydrophobicContact CG1-CD2 4.03Å; I673-L737 HydrophobicContact CG1-CG 4.32Å; I673-L737 HydrophobicContact CG2-CD2 4.05Å; L714-L737 HydrophobicContact CB-CD2 4.34Å; L714-L737 HydrophobicContact CD1-CD1 3.85Å; L714-L737 HydrophobicContact CD1-CD2 3.86Å; L714-L737 HydrophobicContact CD1-CG 4.36Å; V716-L737 HydrophobicContact CG1-CD2 3.64Å; G733-L737 WeakPolarHBondContact O-CB 3.4Å; G733-L737 PolarHBondContact O-N 3.05Å; L734-L737 PolarHBondContact O-N 3.38Å; L737-R739 VanDerWaalsContact C-N 3.28Å; L737-R739 PolarHBondContact O-N 3.2Å; L737-E740 PolarHBondContact O-N 2.72Å; L737-R741 HydrophobicContact CD1-CG 3.92Å; L737-R741 HydrophobicContact CG-CG 4.28Å; L737-R741 PolarHBondContact O-N 3.39Å
738	V	98.4	Very high	96.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-57.3	-41.2	175.6	169.6	0	0	0	0	111.4	P448 L449 L644 I673 L734 A736 G742 A743	P448-V738 HydrophobicContact CG-CB 4.04Å; P448-V738 HydrophobicContact CG-CG1 3.61Å; L449-V738 HydrophobicContact CD1-CG1 3.62Å; L449-V738 HydrophobicContact CG-CG1 3.91Å; L644-V738 HydrophobicContact CD1-CG2 4.26Å; L644-V738 HydrophobicContact CD2-CG2 3.72Å; L644-V738 HydrophobicContact CG-CG2 4.46Å; I673-V738 HydrophobicContact CD1-CG2 4.31Å; L734-V738 HydrophobicContact CD1-CG2 3.83Å; L734-V738 VanDerWaalsContact O-CG2 3.28Å; L734-V738 WeakPolarHBondContact O-CG2 3.46Å; L734-V738 PolarHBondContact O-N 3.45Å; A736-V738 VanDerWaalsContact C-N 3.34Å; A736-V738 PolarHBondContact O-N 3.17Å; V738-G742 PolarHBondContact O-N 2.99Å; V738-G742 VanDerWaalsContact O-N 3.09Å; V738-A743 HydrophobicContact CG1-CB 4.09Å; V738-A743 PolarHBondContact O-N 2.84Å; V738-A743 VanDerWaalsContact O-N 3.11Å
739	R	97.6	Very high	97	Very high	171 Å²	171	35.5 Å²	35.5	65%	0.645	19%	0.185	S	C	*	.	H	α-helix	trans	-70.1	-44.7	175.3	-67.4	179.9	-177.1	142.6	6.6	112	P448 A735 A736 L737 G742	P448-R739 HydrophobicContact CB-CG 3.72Å; P448-R739 VanDerWaalsContact CB-NE 3.3Å; P448-R739 HydrophobicContact CG-CG 3.8Å; A735-R739 PolarHBondContact O-N 2.96Å; A736-R739 PolarHBondContact O-N 3.11Å; A736-R739 VanDerWaalsContact O-N 3.17Å; L737-R739 VanDerWaalsContact C-N 3.28Å; L737-R739 PolarHBondContact O-N 3.2Å; R739-G742 PolarHBondContact O-N 2.85Å
740	E	97.8	Very high	97.2	Very high	131 Å²	131	33.3 Å²	33.3	61%	0.612	18%	0.176	S	C	*	.	H	α-helix	trans	-61.6	-48.8	-177.4	-174.9	-170.6	148.2	0	0	111.7	A736 L737 G742	A736-E740 PolarHBondContact O-N 2.72Å; L737-E740 PolarHBondContact O-N 2.72Å; E740-G742 PolarHBondContact O-N 2.84Å
741	R	97.6	Very high	97.2	Very high	47 Å²	47	33.9 Å²	33.9	18%	0.177	18%	0.179	C	C	.	.	H	α-helix	trans	-74.3	-18.1	176.8	-62.4	-55.8	-163.4	-125.6	7.8	112.2	K641 C642 E671 I673 E711 L737	K641-R741 WeakPolarHBondContact CD-O 3.48Å; K641-R741 WeakPolarHBondContact CE-O 3.44Å; K641-R741 PolarHBondContact NZ-O 2.87Å; C642-R741 HydrophobicContact CB-CB 4.15Å; E671-R741 WeakPolarHBondContact OE2-CD 3.49Å; E671-R741 IonicContact OE2-NE 3.7Å; I673-R741 HydrophobicContact CD1-CB 4.19Å; I673-R741 HydrophobicContact CD1-CG 4.21Å; E711-R741 IonicContact OE2-NH2 2.75Å; L737-R741 HydrophobicContact CD1-CG 3.92Å; L737-R741 HydrophobicContact CG-CG 4.28Å; L737-R741 PolarHBondContact O-N 3.39Å
742	G	97.6	Very high	97.2	Very high	28 Å²	28	33.6 Å²	33.6	29%	0.289	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	55.1	-179.3	0	0	0	0	0	110.8	V738 R739 E740 D744	V738-G742 PolarHBondContact O-N 2.99Å; V738-G742 VanDerWaalsContact O-N 3.09Å; R739-G742 PolarHBondContact O-N 2.85Å; E740-G742 PolarHBondContact O-N 2.84Å; G742-D744 PolarHBondContact O-N 2.81Å
743	A	98.4	Very high	97.4	Very high	6 Å²	6	27.8 Å²	27.8	5%	0.05	15%	0.154	C	C	.	.			trans	-60.3	131.9	-179.1	0	0	0	0	0	111.3	L449 C642 L644 V738	L449-A743 HydrophobicContact CD1-CB 4.2Å; C642-A743 HydrophobicContact CB-CB 4.31Å; C642-A743 CarbonylContact O-C 3.59Å; C642-A743 VanDerWaalsContact O-CA 3.23Å; C642-A743 WeakPolarHBondContact O-CA 3.33Å; C642-A743 WeakPolarHBondContact O-CB 3.38Å; L644-A743 HydrophobicContact CB-CB 4.49Å; V738-A743 HydrophobicContact CG1-CB 4.09Å; V738-A743 PolarHBondContact O-N 2.84Å; V738-A743 VanDerWaalsContact O-N 3.11Å
744	D	98.4	Very high	97.4	Very high	51 Å²	51	25.8 Å²	25.8	27%	0.273	13%	0.134	S	C	.	.			trans	-122.4	-0.3	-174	60.4	-20.4	0	0	0	112.6	H640 K641 C642 G742 E766	H640-D744 WeakPolarHBondContact CA-OD2 3.35Å; H640-D744 WeakPolarHBondContact CB-OD1 3.25Å; K641-D744 VanDerWaalsContact N-CG 3.29Å; K641-D744 PolarHBondContact N-OD1 3.02Å; K641-D744 PolarHBondContact N-OD2 3.38Å; C642-D744 PolarHBondContact N-OD1 3.24Å; C642-D744 PolarHBondContact O-N 2.84Å; G742-D744 PolarHBondContact O-N 2.81Å; D744-E766 PolarHBondContact O-N 3.45Å
745	L	98.8	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.9	169.5	176.1	64.8	0	0	0	110.5	W631 H640 C642 A643 L644 V747 E766	W631-L745 HydrophobicContact CH2-CD1 4.38Å; W631-L745 HydrophobicContact CH2-CD2 3.77Å; W631-L745 HydrophobicContact CZ3-CD1 4.15Å; W631-L745 HydrophobicContact CZ3-CD2 4.32Å; H640-L745 HydrophobicContact CB-CB 4.35Å; C642-L745 PolarHBondContact O-N 3.41Å; A643-L745 CarbonylContact C-O 3.39Å; A643-L745 WeakPolarHBondContact CA-O 3.19Å; A643-L745 HydrophobicContact CB-CB 4.21Å; A643-L745 HydrophobicContact CB-CD2 3.97Å; A643-L745 HydrophobicContact CB-CG 4.32Å; L644-L745 PolarHBondContact N-O 3.02Å; L745-V747 HydrophobicContact CD1-CG2 4.42Å; L745-V747 HydrophobicContact CD2-CG2 3.99Å; L745-V747 HydrophobicContact CG-CG2 3.96Å; L745-E766 WeakPolarHBondContact CA-O 3.26Å; L745-E766 HydrophobicContact CD1-CB 4.1Å
746	V	98.8	Very high	97.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120.3	169.8	174.7	0	0	0	0	110.1	L449 L644 F646 I748 L763 E766 S767 L768	L449-V746 HydrophobicContact CD1-CG2 3.59Å; L644-V746 HydrophobicContact CB-CG2 4.32Å; L644-V746 HydrophobicContact CD2-CG2 4.29Å; L644-V746 CarbonylContact O-C 3.48Å; L644-V746 WeakPolarHBondContact O-CA 3.38Å; F646-V746 HydrophobicContact CD2-CG1 4.3Å; F646-V746 HydrophobicContact CE2-CG1 4.05Å; V746-I748 HydrophobicContact CG1-CD1 4.31Å; V746-I748 HydrophobicContact CG1-CG1 3.9Å; V746-L763 HydrophobicContact CB-CD1 3.62Å; V746-L763 HydrophobicContact CG1-CD1 3.78Å; V746-L763 HydrophobicContact CG2-CD1 3.93Å; V746-E766 PolarHBondContact N-O 3.24Å; V746-S767 CarbonylContact O-C 3.37Å; V746-S767 WeakPolarHBondContact O-CA 3.13Å; V746-L768 PolarHBondContact O-N 3.46Å
747	V	98.8	Very high	97.3	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.9	175.6	-172.5	0	0	0	0	108.9	L644 I645 F646 F661 L745 L768 L770	L644-V747 PolarHBondContact O-N 2.89Å; I645-V747 WeakPolarHBondContact CA-O 3.35Å; I645-V747 HydrophobicContact CB-CB 4.33Å; I645-V747 HydrophobicContact CG1-CB 4Å; I645-V747 HydrophobicContact CG1-CG2 4.11Å; I645-V747 HydrophobicContact CG2-CB 4.16Å; I645-V747 HydrophobicContact CG2-CG1 4.34Å; F646-V747 PolarHBondContact N-O 2.88Å; F661-V747 HydrophobicContact CE1-CG2 4.3Å; L745-V747 HydrophobicContact CD1-CG2 4.42Å; L745-V747 HydrophobicContact CD2-CG2 3.99Å; L745-V747 HydrophobicContact CG-CG2 3.96Å; V747-L768 CarbonylContact C-O 3.59Å; V747-L768 VanDerWaalsContact CA-O 3.29Å; V747-L768 WeakPolarHBondContact CA-O 3.24Å; V747-L768 HydrophobicContact CG1-CB 4.38Å; V747-L768 HydrophobicContact CG1-CD2 4.31Å; V747-L768 HydrophobicContact CG1-CG 4.46Å; V747-L768 HydrophobicContact CG2-CB 4.3Å; V747-L770 HydrophobicContact CG1-CD2 3.58Å
748	I	98.6	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	113	177.7	-47.8	-179.4	0	0	0	107.6	F646 L725 L727 V746 R753 A754 N758 L768 K769 L770	F646-I748 HydrophobicContact CD2-CG1 4.25Å; L725-I748 HydrophobicContact CD2-CG2 4.1Å; L727-I748 HydrophobicContact CD1-CD1 4.26Å; V746-I748 HydrophobicContact CG1-CD1 4.31Å; V746-I748 HydrophobicContact CG1-CG1 3.9Å; I748-R753 HydrophobicContact CG2-CB 3.69Å; I748-R753 WeakPolarHBondContact CG2-O 3.42Å; I748-A754 HydrophobicContact CB-CB 4.26Å; I748-A754 HydrophobicContact CG2-CB 3.91Å; I748-N758 HydrophobicContact CD1-CB 3.88Å; I748-L768 PolarHBondContact N-O 3.29Å; I748-K769 HydrophobicContact CB-CG 4.37Å; I748-K769 HydrophobicContact CD1-CG 4.44Å; I748-K769 WeakPolarHBondContact O-CA 3.42Å; I748-L770 PolarHBondContact O-N 2.92Å
749	E	95.9	Very high	97.2	Very high	2 Å²	2	25 Å²	25	1%	0.009	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.7	-175.6	-172.7	-88.4	132.3	0	0	109.9	N590 F646 D648 R753 L770	N590-E749 WeakPolarHBondContact CB-OE1 3.19Å; N590-E749 VanDerWaalsContact CG-OE1 3.29Å; N590-E749 PolarHBondContact ND2-OE1 2.82Å; F646-E749 PolarHBondContact O-N 3.36Å; D648-E749 WeakPolarHBondContact CA-OE2 3.21Å; D648-E749 WeakPolarHBondContact CB-OE2 3.44Å; D648-E749 PolarHBondContact N-OE2 2.81Å; E749-R753 WeakPolarHBondContact O-CB 3.43Å; E749-R753 VanDerWaalsContact O-CD 3.28Å; E749-R753 WeakPolarHBondContact O-CD 3.19Å; E749-L770 HydrophobicContact CB-CG 4.35Å; E749-L770 HydrophobicContact CG-CD1 3.94Å; E749-L770 HydrophobicContact CG-CG 4.23Å
750	G	95.1	Very high	97.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	105.5	150.3	171.4	0	0	0	0	0	116.6	N590 D648 G752 R753 A754 L770	N590-G750 VanDerWaalsContact ND2-CA 3.31Å; N590-G750 WeakPolarHBondContact ND2-CA 3.39Å; D648-G750 VanDerWaalsContact OD2-CA 3.24Å; D648-G750 WeakPolarHBondContact OD2-CA 3.25Å; G750-G752 PolarHBondContact O-N 2.81Å; G750-R753 PolarHBondContact O-N 2.82Å; G750-A754 VanDerWaalsContact O-CB 3.23Å; G750-A754 WeakPolarHBondContact O-CB 3.07Å; G750-A754 PolarHBondContact O-N 2.93Å; G750-L770 PolarHBondContact N-O 3.4Å
751	M	94.6	Very high	97	Very high	12 Å²	12	17.1 Å²	17.1	6%	0.059	9%	0.09	C	C	.	.	H	α-helix	trans	-63.7	-39.6	-176.6	-172.9	178.6	67.8	0	0	111.9	V755 H756 A771 K774 L778	M751-V755 HydrophobicContact CG-CB 4.15Å; M751-V755 HydrophobicContact CG-CG2 4.45Å; M751-V755 CarbonylContact O-C 3.55Å; M751-V755 WeakPolarHBondContact O-CA 3.15Å; M751-V755 WeakPolarHBondContact O-CB 3.5Å; M751-V755 PolarHBondContact O-N 3.47Å; M751-V755 VanDerWaalsContact O-N 3.12Å; M751-H756 PolarHBondContact O-N 3.11Å; M751-A771 HydrophobicContact CB-CB 4.41Å; M751-K774 HydrophobicContact CE-CB 4.23Å; M751-K774 HydrophobicContact SD-CB 4.27Å; M751-K774 PolarHBondContact SD-N 3.38Å; M751-L778 HydrophobicContact SD-CD2 4.3Å
752	G	94.9	Very high	96.9	Very high	8 Å²	8	17.3 Å²	17.3	8%	0.082	10%	0.102	C	C	.	.	I	π-helix	trans	-61.7	-50	175.4	0	0	0	0	0	112.4	P723 G750 T757	P723-G752 WeakPolarHBondContact O-CA 3.48Å; G750-G752 PolarHBondContact O-N 2.81Å; G752-T757 PolarHBondContact O-N 2.91Å; G752-T757 PolarHBondContact O-OG1 2.86Å
753	R	97.3	Very high	96.9	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.011	9%	0.09	C	C	.	.	I	π-helix	trans	-81.2	-32.2	-171.8	-58.8	171.1	165.1	60	3.2	114.3	A647 D648 N677 D684 P723 L725 I748 E749 G750 T757 N758	A647-R753 VanDerWaalsContact O-CZ 3.25Å; A647-R753 PolarHBondContact O-NE 3.15Å; A647-R753 PolarHBondContact O-NH2 3.42Å; D648-R753 IonicContact OD1-CZ 3.5Å; D648-R753 IonicContact OD1-NH1 3.62Å; D648-R753 PolarHBondContact OD1-NH1 3Å; N677-R753 VanDerWaalsContact CG-NH2 3.3Å; N677-R753 PolarHBondContact ND2-NH2 2.94Å; N677-R753 PolarHBondContact OD1-NH2 3.07Å; D684-R753 IonicContact OD1-NH1 2.79Å; D684-R753 IonicContact OD2-CZ 3.68Å; D684-R753 IonicContact OD2-NH1 3.32Å; D684-R753 PolarHBondContact OD2-NH1 3.28Å; D684-R753 IonicContact OD2-NH2 2.79Å; D684-R753 PolarHBondContact OD2-NH2 2.93Å; P723-R753 PolarHBondContact O-NH1 2.96Å; L725-R753 HydrophobicContact CB-CB 3.98Å; L725-R753 HydrophobicContact CB-CG 3.99Å; I748-R753 HydrophobicContact CG2-CB 3.69Å; I748-R753 WeakPolarHBondContact CG2-O 3.42Å; E749-R753 WeakPolarHBondContact O-CB 3.43Å; E749-R753 VanDerWaalsContact O-CD 3.28Å; E749-R753 WeakPolarHBondContact O-CD 3.19Å; G750-R753 PolarHBondContact O-N 2.82Å; R753-T757 CarbonylContact C-O 3.53Å; R753-T757 VanDerWaalsContact C-O 3.31Å; R753-T757 WeakPolarHBondContact CA-OG1 3.41Å; R753-T757 CarbonylContact O-C 3.5Å; R753-T757 PolarHBondContact O-OG1 2.8Å; R753-N758 WeakPolarHBondContact O-CB 3.39Å; R753-N758 PolarHBondContact O-ND2 3.08Å
754	A	97.3	Very high	96.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	11%	0.11	C	C	.	.	I	π-helix	trans	-112.8	-16	-171.8	0	0	0	0	0	114.9	I748 G750 T757 Y759 K769	I748-A754 HydrophobicContact CB-CB 4.26Å; I748-A754 HydrophobicContact CG2-CB 3.91Å; G750-A754 VanDerWaalsContact O-CB 3.23Å; G750-A754 WeakPolarHBondContact O-CB 3.07Å; G750-A754 PolarHBondContact O-N 2.93Å; A754-T757 CarbonylContact C-O 3.49Å; A754-T757 WeakPolarHBondContact CA-O 3.33Å; A754-T757 PolarHBondContact N-O 3.03Å; A754-Y759 WeakPolarHBondContact O-CA 3.04Å; A754-Y759 PolarHBondContact O-N 3.12Å; A754-K769 HydrophobicContact CB-CB 4.18Å
755	V	96.4	Very high	96.8	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.03	10%	0.101	C	C	.	.	I	π-helix	trans	-117.7	-55.3	-178.7	-173.1	0	0	0	0	111.9	T460 M751 T757 A771 I773 L778 L782 I790	T460-V755 WeakPolarHBondContact CB-O 3.4Å; T460-V755 PolarHBondContact OG1-O 3.18Å; M751-V755 HydrophobicContact CG-CB 4.15Å; M751-V755 HydrophobicContact CG-CG2 4.45Å; M751-V755 CarbonylContact O-C 3.55Å; M751-V755 WeakPolarHBondContact O-CA 3.15Å; M751-V755 WeakPolarHBondContact O-CB 3.5Å; M751-V755 PolarHBondContact O-N 3.47Å; M751-V755 VanDerWaalsContact O-N 3.12Å; V755-T757 PolarHBondContact N-O 3.36Å; V755-T757 PolarHBondContact O-N 3.35Å; V755-A771 HydrophobicContact CG2-CB 3.49Å; V755-A771 VanDerWaalsContact CG2-CB 3.49Å; V755-I773 HydrophobicContact CB-CD1 4.4Å; V755-I773 HydrophobicContact CG1-CD1 3.9Å; V755-I773 HydrophobicContact CG2-CD1 3.93Å; V755-L778 HydrophobicContact CG1-CD2 4.23Å; V755-L782 HydrophobicContact CG1-CD1 4.13Å; V755-I790 HydrophobicContact CG1-CD1 4.27Å; V755-I790 HydrophobicContact CG2-CD1 3.85Å
756	H	95.8	Very high	96.8	Very high	17 Å²	17	19 Å²	19	8%	0.079	11%	0.108	C	C	.	.	I	π-helix	trans	-66.7	-33.8	174	-71.4	-54.8	0	0	0	111.4	T460 W473 M751	T460-H756 PolarHBondContact N-O 2.92Å; T460-H756 PolarHBondContact OG1-O 3.31Å; W473-H756 AromaticContact CH2-CE1 3.48Å; W473-H756 VanDerWaalsContact CH2-CE1 3.48Å; W473-H756 WeakPolarHBondContact CH2-CE1 3.44Å; W473-H756 AromaticContact CH2-NE2 3.83Å; W473-H756 AromaticContact CZ2-CE1 3.48Å; W473-H756 VanDerWaalsContact CZ2-CE1 3.48Å; W473-H756 WeakPolarHBondContact CZ2-CE1 3Å; M751-H756 PolarHBondContact O-N 3.11Å
757	T	96.7	Very high	96.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-123.9	158.9	169	53.5	0	0	0	0	111.8	P458 C724 L725 G752 R753 A754 V755 Y759	P458-T757 HydrophobicContact CB-CG2 4.39Å; P458-T757 CarbonylContact O-C 3.57Å; P458-T757 WeakPolarHBondContact O-CA 3.34Å; P458-T757 WeakPolarHBondContact O-CB 3.44Å; C724-T757 HydrophobicContact CB-CG2 3.76Å; L725-T757 PolarHBondContact N-OG1 3.35Å; L725-T757 VanDerWaalsContact N-OG1 3.12Å; L725-T757 WeakPolarHBondContact O-CB 3.43Å; L725-T757 PolarHBondContact O-OG1 2.93Å; G752-T757 PolarHBondContact O-N 2.91Å; G752-T757 PolarHBondContact O-OG1 2.86Å; R753-T757 CarbonylContact C-O 3.53Å; R753-T757 VanDerWaalsContact C-O 3.31Å; R753-T757 WeakPolarHBondContact CA-OG1 3.41Å; R753-T757 CarbonylContact O-C 3.5Å; R753-T757 PolarHBondContact O-OG1 2.8Å; A754-T757 CarbonylContact C-O 3.49Å; A754-T757 WeakPolarHBondContact CA-O 3.33Å; A754-T757 PolarHBondContact N-O 3.03Å; V755-T757 PolarHBondContact N-O 3.36Å; V755-T757 PolarHBondContact O-N 3.35Å; T757-Y759 PolarHBondContact O-N 2.87Å
758	N	97.7	Very high	96.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.108	C	C	.	.	S	Bend	trans	63.3	3.2	171.4	-53.4	-61.8	0	0	0	118.2	Y456 P458 L725 L727 I748 R753 H760 A761 K769	Y456-N758 PolarHBondContact OH-OD1 3.21Å; P458-N758 PolarHBondContact O-N 3.4Å; L725-N758 PolarHBondContact O-ND2 3.1Å; L727-N758 WeakPolarHBondContact CD1-OD1 3.17Å; L727-N758 WeakPolarHBondContact CG-OD1 3.22Å; I748-N758 HydrophobicContact CD1-CB 3.88Å; R753-N758 WeakPolarHBondContact O-CB 3.39Å; R753-N758 PolarHBondContact O-ND2 3.08Å; N758-H760 PolarHBondContact O-N 3.23Å; N758-H760 VanDerWaalsContact O-N 3.13Å; N758-A761 HydrophobicContact CB-CB 3.94Å; N758-A761 WeakPolarHBondContact O-CB 3.43Å; N758-A761 PolarHBondContact O-N 3.37Å; N758-K769 WeakPolarHBondContact O-CE 3.29Å; N758-K769 PolarHBondContact O-NZ 2.79Å
759	Y	96.9	Very high	96.7	Very high	39 Å²	39	19 Å²	19	15%	0.153	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-38.5	-179.9	-172.6	-106.2	0	0	0	112.2	T460 A754 T757 K769 I790 K792	T460-Y759 HydrophobicContact CG2-CD1 4.38Å; T460-Y759 WeakPolarHBondContact OG1-CB 3.19Å; A754-Y759 WeakPolarHBondContact O-CA 3.04Å; A754-Y759 PolarHBondContact O-N 3.12Å; T757-Y759 PolarHBondContact O-N 2.87Å; Y759-K769 PolarHBondContact O-NZ 2.96Å; Y759-I790 HydrophobicContact CE2-CD1 3.9Å; Y759-I790 HydrophobicContact CE2-CG2 4.13Å; Y759-K792 HydrophobicContact CE2-CD 4.34Å; Y759-K792 PolarHBondContact O-NZ 2.86Å
760	H	95.8	Very high	96.8	Very high	133 Å²	133	19 Å²	19	62%	0.616	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	5	177.7	-59.5	-64.1	0	0	0	114.5	N758 A762	N758-H760 PolarHBondContact O-N 3.23Å; N758-H760 VanDerWaalsContact O-N 3.13Å; H760-A762 PolarHBondContact O-N 2.89Å
761	A	95.9	Very high	96.9	Very high	4 Å²	4	19 Å²	19	3%	0.033	11%	0.108	C	C	.	.			trans	-61.3	124.1	-179.3	0	0	0	0	0	110.9	Y456 L727 N758 K769	Y456-A761 HydrophobicContact CD2-CB 4.31Å; Y456-A761 HydrophobicContact CE2-CB 3.83Å; L727-A761 HydrophobicContact CD1-CB 4.35Å; N758-A761 HydrophobicContact CB-CB 3.94Å; N758-A761 WeakPolarHBondContact O-CB 3.43Å; N758-A761 PolarHBondContact O-N 3.37Å; A761-K769 PolarHBondContact O-NZ 3.45Å
762	A	95.4	Very high	96.9	Very high	52 Å²	52	18.4 Å²	18.4	43%	0.43	11%	0.105	S	C	.	.			trans	-96	132.1	174.3	0	0	0	0	0	110.1	L451 H760	L451-A762 HydrophobicContact CB-CB 4Å; L451-A762 WeakPolarHBondContact CB-O 3.23Å; L451-A762 HydrophobicContact CD2-CB 3.88Å; L451-A762 PolarHBondContact N-O 2.6Å; H760-A762 PolarHBondContact O-N 2.89Å
763	L	97.1	Very high	96.9	Very high	8 Å²	8	18 Å²	18	4%	0.042	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-122.2	151.9	-177.5	-58.3	-178.9	0	0	0	110.9	L447 L449 L450 L727 V746 C765	L447-L763 HydrophobicContact CD2-CD2 3.96Å; L449-L763 CarbonylContact O-C 3.58Å; L449-L763 WeakPolarHBondContact O-CA 3.36Å; L449-L763 WeakPolarHBondContact O-CB 3.14Å; L449-L763 WeakPolarHBondContact O-CD2 3.34Å; L450-L763 HydrophobicContact CD2-CD2 3.96Å; L450-L763 HydrophobicContact CG-CD2 4.4Å; L727-L763 HydrophobicContact CD1-CD2 4.3Å; V746-L763 HydrophobicContact CB-CD1 3.62Å; V746-L763 HydrophobicContact CG1-CD1 3.78Å; V746-L763 HydrophobicContact CG2-CD1 3.93Å; L763-C765 PolarHBondContact O-N 3.46Å
764	C	96.9	Very high	96.6	Very high	70 Å²	70	18 Å²	18	47%	0.473	10%	0.101	S	C	.	.	S	Bend	trans	-74.6	0.7	173.6	-61.9	0	0	0	0	113.5	L449 L451	L449-C764 PolarHBondContact O-N 3.27Å; L451-C764 VanDerWaalsContact CA-SG 3.58Å
765	C	97.7	Very high	96.3	Very high	11 Å²	11	18.9 Å²	18.9	7%	0.074	11%	0.106	C	C	.	.	S	Bend	trans	-130.5	174.8	-178.6	68.5	0	0	0	0	110.3	L449 L763	L449-C765 HydrophobicContact CD2-CB 4.4Å; L763-C765 PolarHBondContact O-N 3.46Å
766	E	98.4	Very high	96	Very high	30 Å²	30	20.7 Å²	20.7	14%	0.14	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	146.8	171.8	-63.7	-179.9	-154	0	0	110.2	R634 H640 D744 L745 V746 Y793 E794	R634-E766 IonicContact CZ-OE1 2.8Å; R634-E766 VanDerWaalsContact CZ-OE1 3.32Å; R634-E766 IonicContact CZ-OE2 3.34Å; R634-E766 VanDerWaalsContact NE-CD 3.34Å; R634-E766 IonicContact NE-OE1 2.81Å; R634-E766 PolarHBondContact NE-OE1 3.19Å; R634-E766 IonicContact NE-OE2 3.26Å; R634-E766 PolarHBondContact NE-OE2 2.91Å; R634-E766 VanDerWaalsContact NE-OE2 3.15Å; R634-E766 IonicContact NH2-OE1 2.85Å; R634-E766 PolarHBondContact NH2-OE1 3.34Å; R634-E766 IonicContact NH2-OE2 2.72Å; H640-E766 IonicContact CD2-OE2 3.95Å; H640-E766 IonicContact CE1-OE2 2.79Å; H640-E766 IonicContact NE2-OE1 2.77Å; H640-E766 IonicContact NE2-OE2 2.86Å; H640-E766 PolarHBondContact NE2-OE2 3.15Å; D744-E766 PolarHBondContact O-N 3.45Å; L745-E766 WeakPolarHBondContact CA-O 3.26Å; L745-E766 HydrophobicContact CD1-CB 4.1Å; V746-E766 PolarHBondContact N-O 3.24Å; E766-Y793 HydrophobicContact CB-CE2 4.18Å; E766-Y793 PolarHBondContact OE2-OH 3.05Å; E766-E794 WeakPolarHBondContact CA-O 3.38Å
767	S	98.4	Very high	95.8	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.028	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.4	177.7	79.6	0	0	0	0	113	V746 Y793 E794	V746-S767 CarbonylContact O-C 3.37Å; V746-S767 WeakPolarHBondContact O-CA 3.13Å; S767-Y793 WeakPolarHBondContact O-CA 3.29Å; S767-Y793 WeakPolarHBondContact O-CD2 3.22Å; S767-E794 PolarHBondContact N-O 3.47Å; S767-E794 PolarHBondContact O-N 2.84Å
768	L	98.6	Very high	95.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	114.6	175.5	179	63.3	0	0	0	109.1	W631 F661 V746 V747 I748 L770 F791 K792	W631-L768 HydrophobicContact CD2-CD2 4.49Å; W631-L768 HydrophobicContact CZ2-CD2 4.26Å; F661-L768 HydrophobicContact CZ-CD2 4.3Å; V746-L768 PolarHBondContact O-N 3.46Å; V747-L768 CarbonylContact C-O 3.59Å; V747-L768 VanDerWaalsContact CA-O 3.29Å; V747-L768 WeakPolarHBondContact CA-O 3.24Å; V747-L768 HydrophobicContact CG1-CB 4.38Å; V747-L768 HydrophobicContact CG1-CD2 4.31Å; V747-L768 HydrophobicContact CG1-CG 4.46Å; V747-L768 HydrophobicContact CG2-CB 4.3Å; I748-L768 PolarHBondContact N-O 3.29Å; L768-L770 HydrophobicContact CD2-CD2 3.96Å; L768-L770 HydrophobicContact CG-CD2 3.8Å; L768-F791 HydrophobicContact CD1-CD1 4.09Å; L768-F791 HydrophobicContact CD1-CD2 4.28Å; L768-F791 HydrophobicContact CD1-CE1 3.58Å; L768-F791 HydrophobicContact CD1-CE2 3.8Å; L768-F791 HydrophobicContact CD1-CG 4.41Å; L768-F791 HydrophobicContact CD1-CZ 3.43Å; L768-F791 VanDerWaalsContact CD1-CZ 3.43Å; L768-F791 HydrophobicContact CD2-CE2 4.1Å; L768-F791 HydrophobicContact CD2-CZ 3.96Å; L768-F791 HydrophobicContact CG-CE2 4.45Å; L768-F791 HydrophobicContact CG-CZ 4.32Å; L768-K792 WeakPolarHBondContact CA-O 3.48Å
769	K	98.3	Very high	95.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	120.8	176.7	-65.6	161.7	-171.1	163.6	0	108.3	I748 A754 N758 Y759 A761 K792 E794	I748-K769 HydrophobicContact CB-CG 4.37Å; I748-K769 HydrophobicContact CD1-CG 4.44Å; I748-K769 WeakPolarHBondContact O-CA 3.42Å; A754-K769 HydrophobicContact CB-CB 4.18Å; N758-K769 WeakPolarHBondContact O-CE 3.29Å; N758-K769 PolarHBondContact O-NZ 2.79Å; Y759-K769 PolarHBondContact O-NZ 2.96Å; A761-K769 PolarHBondContact O-NZ 3.45Å; K769-K792 HydrophobicContact CB-CB 4.29Å; K769-K792 HydrophobicContact CD-CD 4.4Å; K769-K792 PolarHBondContact N-O 2.99Å; K769-K792 PolarHBondContact O-N 3.4Å; K769-E794 WeakPolarHBondContact CE-OE2 3.34Å; K769-E794 IonicContact NZ-OE2 2.79Å; K769-E794 PolarHBondContact NZ-OE2 3.48Å
770	L	97.2	Very high	95.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	137.6	-178.5	60.7	138.1	0	0	0	112.6	L586 L587 V747 I748 E749 G750 L768 I790 F791	L586-L770 HydrophobicContact CB-CD1 3.64Å; L586-L770 HydrophobicContact CD1-CD1 3.92Å; L586-L770 HydrophobicContact CG-CD1 4.26Å; L587-L770 HydrophobicContact CD2-CB 4.16Å; L587-L770 HydrophobicContact CD2-CD1 4.34Å; V747-L770 HydrophobicContact CG1-CD2 3.58Å; I748-L770 PolarHBondContact O-N 2.92Å; E749-L770 HydrophobicContact CB-CG 4.35Å; E749-L770 HydrophobicContact CG-CD1 3.94Å; E749-L770 HydrophobicContact CG-CG 4.23Å; G750-L770 PolarHBondContact N-O 3.4Å; L768-L770 HydrophobicContact CD2-CD2 3.96Å; L768-L770 HydrophobicContact CG-CD2 3.8Å; L770-I790 CarbonylContact C-O 3.54Å; L770-I790 VanDerWaalsContact CA-O 3.23Å; L770-I790 WeakPolarHBondContact CA-O 3.41Å; L770-F791 HydrophobicContact CB-CD2 4.32Å
771	A	96.7	Very high	95	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	156	178.2	0	0	0	0	0	111.6	M751 V755 I790	M751-A771 HydrophobicContact CB-CB 4.41Å; V755-A771 HydrophobicContact CG2-CB 3.49Å; V755-A771 VanDerWaalsContact CG2-CB 3.49Å; A771-I790 PolarHBondContact N-O 3.25Å; A771-I790 PolarHBondContact O-N 2.96Å
772	V	95.8	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.4	163.8	-178.1	0	0	0	0	108.9	L587 N590 V591 L618 K774 F787 V789	L587-V772 HydrophobicContact CB-CG2 4.09Å; L587-V772 HydrophobicContact CD2-CG2 4.2Å; L587-V772 WeakPolarHBondContact O-CG2 3.45Å; N590-V772 PolarHBondContact OD1-N 3.2Å; V591-V772 HydrophobicContact CG2-CB 4.41Å; V591-V772 HydrophobicContact CG2-CG1 4.22Å; V591-V772 HydrophobicContact CG2-CG2 4.18Å; L618-V772 HydrophobicContact CD2-CG1 4.36Å; L618-V772 HydrophobicContact CD2-CG2 3.59Å; V772-K774 WeakPolarHBondContact O-CE 3.21Å; V772-K774 WeakPolarHBondContact O-CG 3.29Å; V772-K774 PolarHBondContact O-N 3.26Å; V772-F787 HydrophobicContact CG1-CB 4.16Å; V772-F787 HydrophobicContact CG1-CD1 4.01Å; V772-V789 HydrophobicContact CG2-CG2 4.48Å
773	I	94.5	Very high	94.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.			trans	-78.4	106	179.5	-52.6	-56	0	0	0	109.9	V755 N775 L778 A779 L782 F787 S788 I790	V755-I773 HydrophobicContact CB-CD1 4.4Å; V755-I773 HydrophobicContact CG1-CD1 3.9Å; V755-I773 HydrophobicContact CG2-CD1 3.93Å; I773-N775 WeakPolarHBondContact CG2-O 3.4Å; I773-L778 HydrophobicContact CG2-CB 4.34Å; I773-L778 HydrophobicContact CG2-CD2 4.33Å; I773-L778 HydrophobicContact CG2-CG 4.29Å; I773-A779 HydrophobicContact CB-CB 4.29Å; I773-A779 HydrophobicContact CG2-CB 3.65Å; I773-L782 HydrophobicContact CD1-CD1 4.05Å; I773-L782 HydrophobicContact CG1-CD1 4.36Å; I773-F787 WeakPolarHBondContact O-CA 3.41Å; I773-F787 PolarHBondContact O-N 3.23Å; I773-S788 PolarHBondContact N-O 3.25Å; I773-I790 HydrophobicContact CD1-CD1 3.72Å; I773-I790 HydrophobicContact CD1-CG1 4.21Å; I773-I790 HydrophobicContact CG1-CD1 4.29Å; I773-I790 HydrophobicContact CG1-CG1 4.38Å
774	K	90.4	Very high	94.6	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	18%	0.18	C	C	.	.			trans	-97	12.7	-174.6	-64.4	162.4	-108.8	177.9	0	113.3	N590 D593 A596 V599 M751 V772	N590-K774 WeakPolarHBondContact O-CE 3.2Å; N590-K774 PolarHBondContact O-NZ 3.4Å; N590-K774 WeakPolarHBondContact OD1-CE 3.25Å; N590-K774 PolarHBondContact OD1-NZ 2.94Å; D593-K774 HydrophobicContact CB-CD 3.59Å; D593-K774 WeakPolarHBondContact OD2-CE 3.23Å; D593-K774 IonicContact OD2-NZ 3.7Å; D593-K774 PolarHBondContact OD2-NZ 2.86Å; A596-K774 HydrophobicContact CB-CB 3.47Å; A596-K774 VanDerWaalsContact CB-CB 3.47Å; A596-K774 HydrophobicContact CB-CD 4.23Å; A596-K774 HydrophobicContact CB-CG 4.4Å; V599-K774 HydrophobicContact CG2-CB 3.97Å; V599-K774 HydrophobicContact CG2-CD 3.96Å; V599-K774 HydrophobicContact CG2-CG 3.78Å; M751-K774 HydrophobicContact CE-CB 4.23Å; M751-K774 HydrophobicContact SD-CB 4.27Å; M751-K774 PolarHBondContact SD-N 3.38Å; V772-K774 WeakPolarHBondContact O-CE 3.21Å; V772-K774 WeakPolarHBondContact O-CG 3.29Å; V772-K774 PolarHBondContact O-N 3.26Å
775	N	91	Very high	94.4	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.107	19%	0.188	C	C	.	.			trans	-129.4	120.3	178.9	-177.6	-75.6	0	0	0	110.1	Y472 W473 I773 W777 L778 A779	Y472-N775 PolarHBondContact OH-ND2 3.46Å; Y472-N775 PolarHBondContact OH-OD1 3.3Å; Y472-N775 VanDerWaalsContact OH-OD1 3.14Å; W473-N775 HydrophobicContact CH2-CB 4.31Å; I773-N775 WeakPolarHBondContact CG2-O 3.4Å; N775-W777 PolarHBondContact O-N 2.8Å; N775-W777 PolarHBondContact OD1-N 3.26Å; N775-W777 VanDerWaalsContact OD1-N 3.16Å; N775-L778 HydrophobicContact CB-CB 4.02Å; N775-L778 PolarHBondContact O-N 3.36Å; N775-L778 PolarHBondContact OD1-N 3.26Å; N775-A779 WeakPolarHBondContact O-CB 3.06Å; N775-A779 PolarHBondContact O-N 3.12Å
776	A	90.1	Very high	94.1	Very high	43 Å²	43	38.2 Å²	38.2	36%	0.355	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-42.5	-173.9	0	0	0	0	0	112.7	A779 E780 L786	A776-A779 PolarHBondContact O-N 3.47Å; A776-E780 WeakPolarHBondContact O-CG 3.25Å; A776-E780 PolarHBondContact O-N 2.95Å; A776-L786 HydrophobicContact CB-CB 4.48Å; A776-L786 HydrophobicContact CB-CD1 4.41Å
777	W	92.5	Very high	93.8	Very high	61 Å²	61	38.1 Å²	38.1	23%	0.231	20%	0.198	C	C	.	.	H	α-helix	trans	-64.8	-42.3	179.7	-179	92.3	0	0	0	111.8	A469 Y472 W473 N775 R781	A469-W777 VanDerWaalsContact CA-CH2 3.48Å; A469-W777 HydrophobicContact CB-CH2 3.48Å; A469-W777 VanDerWaalsContact CB-CH2 3.48Å; A469-W777 HydrophobicContact CB-CZ2 4.21Å; A469-W777 HydrophobicContact CB-CZ3 4.26Å; Y472-W777 HydrophobicContact CD1-CB 4.19Å; Y472-W777 AromaticContact CD1-CD2 3.69Å; Y472-W777 HydrophobicContact CD1-CD2 3.69Å; Y472-W777 AromaticContact CD1-CE3 3.7Å; Y472-W777 HydrophobicContact CD1-CE3 3.7Å; Y472-W777 AromaticContact CD1-CG 3.9Å; Y472-W777 HydrophobicContact CD1-CG 3.9Å; Y472-W777 HydrophobicContact CD1-CZ3 4.37Å; Y472-W777 HydrophobicContact CD2-CB 4.01Å; Y472-W777 AromaticContact CD2-CD1 3.75Å; Y472-W777 HydrophobicContact CD2-CD2 4.19Å; Y472-W777 AromaticContact CD2-CG 3.7Å; Y472-W777 HydrophobicContact CD2-CG 3.7Å; Y472-W777 HydrophobicContact CE1-CB 3.65Å; Y472-W777 HydrophobicContact CE1-CD2 4Å; Y472-W777 AromaticContact CE1-CE3 3.96Å; Y472-W777 HydrophobicContact CE1-CE3 3.96Å; Y472-W777 AromaticContact CE1-CG 3.89Å; Y472-W777 HydrophobicContact CE1-CG 3.89Å; Y472-W777 HydrophobicContact CE2-CB 3.45Å; Y472-W777 VanDerWaalsContact CE2-CB 3.45Å; Y472-W777 HydrophobicContact CE2-CD2 4.48Å; Y472-W777 AromaticContact CE2-CG 3.69Å; Y472-W777 HydrophobicContact CE2-CG 3.69Å; Y472-W777 HydrophobicContact CG-CB 4.35Å; Y472-W777 AromaticContact CG-CD2 3.79Å; Y472-W777 HydrophobicContact CG-CD2 3.79Å; Y472-W777 HydrophobicContact CG-CE3 4.25Å; Y472-W777 AromaticContact CG-CG 3.81Å; Y472-W777 HydrophobicContact CG-CG 3.81Å; Y472-W777 AromaticContact CZ-CG 3.8Å; Y472-W777 WeakPolarHBondContact OH-CB 3.41Å; W473-W777 AromaticContact NE1-CZ3 3.91Å; N775-W777 PolarHBondContact O-N 2.8Å; N775-W777 PolarHBondContact OD1-N 3.26Å; N775-W777 VanDerWaalsContact OD1-N 3.16Å; W777-R781 VanDerWaalsContact CH2-CD 3.48Å; W777-R781 WeakPolarHBondContact O-CB 3.4Å; W777-R781 PolarHBondContact O-N 2.9Å; W777-R781 VanDerWaalsContact O-N 3.08Å
778	L	91.9	Very high	93.6	Very high	8 Å²	8	38 Å²	38	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-41.7	174.9	-179	62.4	0	0	0	111.2	W473 M751 V755 I773 N775 R781 L782	W473-L778 HydrophobicContact CZ2-CB 4.48Å; M751-L778 HydrophobicContact SD-CD2 4.3Å; V755-L778 HydrophobicContact CG1-CD2 4.23Å; I773-L778 HydrophobicContact CG2-CB 4.34Å; I773-L778 HydrophobicContact CG2-CD2 4.33Å; I773-L778 HydrophobicContact CG2-CG 4.29Å; N775-L778 HydrophobicContact CB-CB 4.02Å; N775-L778 PolarHBondContact O-N 3.36Å; N775-L778 PolarHBondContact OD1-N 3.26Å; L778-R781 PolarHBondContact O-N 3.34Å; L778-L782 HydrophobicContact CD1-CD1 4.14Å; L778-L782 HydrophobicContact CD1-CG 4.25Å; L778-L782 HydrophobicContact CG-CD1 3.97Å; L778-L782 HydrophobicContact CG-CG 4.46Å; L778-L782 WeakPolarHBondContact O-CG 3.3Å; L778-L782 PolarHBondContact O-N 3.01Å
779	A	92.1	Very high	93.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-49	178.3	0	0	0	0	0	111.5	I773 N775 A776 R781 L782 G783 G784 R785	I773-A779 HydrophobicContact CB-CB 4.29Å; I773-A779 HydrophobicContact CG2-CB 3.65Å; N775-A779 WeakPolarHBondContact O-CB 3.06Å; N775-A779 PolarHBondContact O-N 3.12Å; A776-A779 PolarHBondContact O-N 3.47Å; A779-R781 VanDerWaalsContact C-N 3.27Å; A779-R781 PolarHBondContact O-N 2.92Å; A779-L782 CarbonylContact O-C 3.52Å; A779-L782 PolarHBondContact O-N 3.49Å; A779-L782 VanDerWaalsContact O-N 3.12Å; A779-G783 PolarHBondContact O-N 2.96Å; A779-G784 CarbonylContact C-O 3.57Å; A779-G784 CarbonylContact O-C 3.42Å; A779-G784 WeakPolarHBondContact O-CA 3.29Å; A779-G784 PolarHBondContact O-N 3.44Å; A779-R785 VanDerWaalsContact CB-O 3.24Å; A779-R785 WeakPolarHBondContact CB-O 3.43Å
780	E	93.3	Very high	93.6	Very high	139 Å²	139	38 Å²	38	65%	0.65	20%	0.198	S	C	*	.	H	α-helix	trans	-57.4	-42.7	176.6	-74.4	173.3	-170	0	0	111.4	A776 L782 G783 G784	A776-E780 WeakPolarHBondContact O-CG 3.25Å; A776-E780 PolarHBondContact O-N 2.95Å; E780-L782 VanDerWaalsContact C-N 3.29Å; E780-L782 PolarHBondContact O-N 3.31Å; E780-G783 PolarHBondContact O-N 3.3Å; E780-G784 WeakPolarHBondContact CA-O 3.33Å; E780-G784 PolarHBondContact N-O 3.47Å
781	R	92.2	Very high	93.6	Very high	118 Å²	118	38 Å²	38	45%	0.445	20%	0.197	S	C	.	.	H	α-helix	trans	-65.8	-30.1	178.6	-172.8	171.1	174	140.2	1.2	113.6	D466 W777 L778 A779 G783	D466-R781 IonicContact OD1-NH1 3.74Å; D466-R781 IonicContact OD2-CZ 3.15Å; D466-R781 IonicContact OD2-NH1 2.71Å; D466-R781 PolarHBondContact OD2-NH1 2.83Å; D466-R781 IonicContact OD2-NH2 2.76Å; D466-R781 PolarHBondContact OD2-NH2 3.13Å; W777-R781 VanDerWaalsContact CH2-CD 3.48Å; W777-R781 WeakPolarHBondContact O-CB 3.4Å; W777-R781 PolarHBondContact O-N 2.9Å; W777-R781 VanDerWaalsContact O-N 3.08Å; L778-R781 PolarHBondContact O-N 3.34Å; A779-R781 VanDerWaalsContact C-N 3.27Å; A779-R781 PolarHBondContact O-N 2.92Å; R781-G783 VanDerWaalsContact C-N 3.26Å
782	L	92.4	Very high	93.7	Very high	58 Å²	58	39.5 Å²	39.5	30%	0.304	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.3	172.9	-65.1	172.8	0	0	0	112.8	L624 V755 I773 L778 A779 E780 I790	L624-L782 HydrophobicContact CD2-CB 3.91Å; V755-L782 HydrophobicContact CG1-CD1 4.13Å; I773-L782 HydrophobicContact CD1-CD1 4.05Å; I773-L782 HydrophobicContact CG1-CD1 4.36Å; L778-L782 HydrophobicContact CD1-CD1 4.14Å; L778-L782 HydrophobicContact CD1-CG 4.25Å; L778-L782 HydrophobicContact CG-CD1 3.97Å; L778-L782 HydrophobicContact CG-CG 4.46Å; L778-L782 WeakPolarHBondContact O-CG 3.3Å; L778-L782 PolarHBondContact O-N 3.01Å; A779-L782 CarbonylContact O-C 3.52Å; A779-L782 PolarHBondContact O-N 3.49Å; A779-L782 VanDerWaalsContact O-N 3.12Å; E780-L782 VanDerWaalsContact C-N 3.29Å; E780-L782 PolarHBondContact O-N 3.31Å; L782-I790 HydrophobicContact CD1-CD1 4.24Å
783	G	94.1	Very high	93.8	Very high	66 Å²	66	40.6 Å²	40.6	68%	0.68	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	17.2	-178.8	0	0	0	0	0	114.5	A779 E780 R781	A779-G783 PolarHBondContact O-N 2.96Å; E780-G783 PolarHBondContact O-N 3.3Å; R781-G783 VanDerWaalsContact C-N 3.26Å
784	G	93.2	Very high	94	Very high	22 Å²	22	43.3 Å²	43.3	23%	0.227	22%	0.221	C	C	.	.			trans	-119.4	-162.8	178.6	0	0	0	0	0	113.7	A779 E780	A779-G784 CarbonylContact C-O 3.57Å; A779-G784 CarbonylContact O-C 3.42Å; A779-G784 WeakPolarHBondContact O-CA 3.29Å; A779-G784 PolarHBondContact O-N 3.44Å; E780-G784 WeakPolarHBondContact CA-O 3.33Å; E780-G784 PolarHBondContact N-O 3.47Å
785	R	93.4	Very high	94.2	Very high	171 Å²	171	47.9 Å²	47.9	65%	0.645	25%	0.249	S	C	*	.			trans	-127.6	167.8	175.9	62.7	-176	-178.7	-173.7	0.4	111.6	A779 F787 S788	A779-R785 VanDerWaalsContact CB-O 3.24Å; A779-R785 WeakPolarHBondContact CB-O 3.43Å; R785-F787 PolarHBondContact O-N 2.94Å; R785-S788 PolarHBondContact N-OG 3.46Å; R785-S788 WeakPolarHBondContact O-CB 3.39Å; R785-S788 PolarHBondContact O-N 3.39Å; R785-S788 PolarHBondContact O-OG 2.88Å
786	L	91.6	Very high	94.1	Very high	59 Å²	59	49.2 Å²	49.2	31%	0.309	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	137.4	173.8	-171.7	70	0	0	0	111	A598 A776 S788	A598-L786 HydrophobicContact CB-CD1 4.15Å; A598-L786 HydrophobicContact CB-CD2 4.1Å; A776-L786 HydrophobicContact CB-CB 4.48Å; A776-L786 HydrophobicContact CB-CD1 4.41Å; L786-S788 VanDerWaalsContact C-N 3.25Å; L786-S788 PolarHBondContact O-N 2.89Å
787	F	91.9	Very high	93.5	Very high	29 Å²	29	51 Å²	51	13%	0.127	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	18.7	-172.3	-50.1	-65.2	0	0	0	115.6	V591 V599 K617 Q619 V772 I773 R785	V591-F787 HydrophobicContact CG1-CE1 4.17Å; V599-F787 HydrophobicContact CG2-CE1 4.16Å; K617-F787 HydrophobicContact CD-CE2 4.35Å; K617-F787 WeakPolarHBondContact O-CB 3.46Å; Q619-F787 PolarHBondContact N-O 2.66Å; V772-F787 HydrophobicContact CG1-CB 4.16Å; V772-F787 HydrophobicContact CG1-CD1 4.01Å; I773-F787 WeakPolarHBondContact O-CA 3.41Å; I773-F787 PolarHBondContact O-N 3.23Å; R785-F787 PolarHBondContact O-N 2.94Å
788	S	95.5	Very high	91.7	Very high	1 Å²	1	61 Å²	61	1%	0.007	32%	0.322	C	S	.	.			trans	-60.9	146.2	166.1	-65.3	0	0	0	0	110.9	Q619 I773 R785 L786	Q619-S788 VanDerWaalsContact OE1-CA 3.28Å; I773-S788 PolarHBondContact N-O 3.25Å; R785-S788 PolarHBondContact N-OG 3.46Å; R785-S788 WeakPolarHBondContact O-CB 3.39Å; R785-S788 PolarHBondContact O-N 3.39Å; R785-S788 PolarHBondContact O-OG 2.88Å; L786-S788 VanDerWaalsContact C-N 3.25Å; L786-S788 PolarHBondContact O-N 2.89Å
789	V	97.3	Very high	91.7	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.6	-175.1	169.1	0	0	0	0	109.9	L587 L618 Q619 W623 L624 V625 V772 F791	L587-V789 HydrophobicContact CD1-CG1 3.46Å; L587-V789 VanDerWaalsContact CD1-CG1 3.46Å; L587-V789 HydrophobicContact CD1-CG2 4.34Å; L587-V789 HydrophobicContact CD2-CG1 3.8Å; L587-V789 HydrophobicContact CG-CG1 4.25Å; L618-V789 HydrophobicContact CB-CG2 4.45Å; L618-V789 HydrophobicContact CD2-CG2 4.24Å; Q619-V789 HydrophobicContact CB-CG2 4.18Å; W623-V789 HydrophobicContact CB-CB 3.86Å; W623-V789 HydrophobicContact CB-CG1 3.9Å; W623-V789 HydrophobicContact CD2-CB 4.08Å; W623-V789 HydrophobicContact CD2-CG1 3.46Å; W623-V789 VanDerWaalsContact CD2-CG1 3.46Å; W623-V789 HydrophobicContact CE3-CG1 3.88Å; W623-V789 HydrophobicContact CG-CB 3.58Å; W623-V789 HydrophobicContact CG-CG1 3.48Å; W623-V789 VanDerWaalsContact CG-CG1 3.48Å; W623-V789 HydrophobicContact CG-CG2 4.41Å; L624-V789 WeakPolarHBondContact CB-O 3.16Å; L624-V789 PolarHBondContact N-O 2.81Å; V625-V789 PolarHBondContact N-O 2.82Å; V772-V789 HydrophobicContact CG2-CG2 4.48Å; V789-F791 HydrophobicContact CG1-CB 4.45Å
790	I	97.8	Very high	91.7	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.8	164.3	-64.6	-175.2	0	0	0	107.1	V625 V755 Y759 L770 A771 I773 L782 K792	V625-I790 HydrophobicContact CB-CG2 4.13Å; V625-I790 HydrophobicContact CG2-CG1 4.27Å; V625-I790 HydrophobicContact CG2-CG2 4.32Å; V755-I790 HydrophobicContact CG1-CD1 4.27Å; V755-I790 HydrophobicContact CG2-CD1 3.85Å; Y759-I790 HydrophobicContact CE2-CD1 3.9Å; Y759-I790 HydrophobicContact CE2-CG2 4.13Å; L770-I790 CarbonylContact C-O 3.54Å; L770-I790 VanDerWaalsContact CA-O 3.23Å; L770-I790 WeakPolarHBondContact CA-O 3.41Å; A771-I790 PolarHBondContact N-O 3.25Å; A771-I790 PolarHBondContact O-N 2.96Å; I773-I790 HydrophobicContact CD1-CD1 3.72Å; I773-I790 HydrophobicContact CD1-CG1 4.21Å; I773-I790 HydrophobicContact CG1-CD1 4.29Å; I773-I790 HydrophobicContact CG1-CG1 4.38Å; L782-I790 HydrophobicContact CD1-CD1 4.24Å; I790-K792 HydrophobicContact CG2-CB 4.22Å
791	F	98.3	Very high	91.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	92.5	168.7	-171.5	-83.8	0	0	0	107.3	V583 W623 V625 S627 Y628 W631 L768 L770 V789	V583-F791 HydrophobicContact CB-CE2 4.11Å; V583-F791 HydrophobicContact CG1-CD2 3.43Å; V583-F791 VanDerWaalsContact CG1-CD2 3.43Å; V583-F791 HydrophobicContact CG1-CE2 3.24Å; V583-F791 HydrophobicContact CG1-CG 4.45Å; V583-F791 HydrophobicContact CG1-CZ 4.15Å; V583-F791 HydrophobicContact CG2-CE2 3.67Å; V583-F791 HydrophobicContact CG2-CZ 3.98Å; W623-F791 HydrophobicContact CE3-CB 3.45Å; W623-F791 VanDerWaalsContact CE3-CB 3.45Å; W623-F791 HydrophobicContact CE3-CG 4.04Å; W623-F791 HydrophobicContact CZ3-CB 3.57Å; W623-F791 HydrophobicContact CZ3-CD1 4.24Å; W623-F791 AromaticContact CZ3-CD2 3.92Å; W623-F791 HydrophobicContact CZ3-CD2 3.92Å; W623-F791 AromaticContact CZ3-CG 3.63Å; W623-F791 HydrophobicContact CZ3-CG 3.63Å; V625-F791 CarbonylContact O-C 3.59Å; V625-F791 PolarHBondContact O-N 2.7Å; S627-F791 WeakPolarHBondContact CB-O 3.19Å; S627-F791 PolarHBondContact N-O 3.13Å; S627-F791 PolarHBondContact OG-O 3.4Å; Y628-F791 HydrophobicContact CD2-CE1 4.36Å; Y628-F791 HydrophobicContact CD2-CZ 4.31Å; W631-F791 HydrophobicContact CB-CE1 3.71Å; W631-F791 HydrophobicContact CB-CZ 4.11Å; W631-F791 AromaticContact CD1-CZ 3.56Å; W631-F791 HydrophobicContact CD2-CZ 4.5Å; W631-F791 AromaticContact CG-CE1 3.92Å; W631-F791 HydrophobicContact CG-CE1 3.92Å; W631-F791 AromaticContact CG-CZ 3.79Å; W631-F791 HydrophobicContact CG-CZ 3.79Å; L768-F791 HydrophobicContact CD1-CD1 4.09Å; L768-F791 HydrophobicContact CD1-CD2 4.28Å; L768-F791 HydrophobicContact CD1-CE1 3.58Å; L768-F791 HydrophobicContact CD1-CE2 3.8Å; L768-F791 HydrophobicContact CD1-CG 4.41Å; L768-F791 HydrophobicContact CD1-CZ 3.43Å; L768-F791 VanDerWaalsContact CD1-CZ 3.43Å; L768-F791 HydrophobicContact CD2-CE2 4.1Å; L768-F791 HydrophobicContact CD2-CZ 3.96Å; L768-F791 HydrophobicContact CG-CE2 4.45Å; L768-F791 HydrophobicContact CG-CZ 4.32Å; L770-F791 HydrophobicContact CB-CD2 4.32Å; V789-F791 HydrophobicContact CG1-CB 4.45Å
792	K	98.2	Very high	91.6	Very high	31 Å²	31	59.7 Å²	59.7	14%	0.135	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.9	-171.9	-170	-172.1	-170.1	-152.6	0	109.2	V625 Y759 L768 K769 I790 E794	V625-K792 HydrophobicContact CG1-CB 3.85Å; V625-K792 HydrophobicContact CG1-CG 4.05Å; Y759-K792 HydrophobicContact CE2-CD 4.34Å; Y759-K792 PolarHBondContact O-NZ 2.86Å; L768-K792 WeakPolarHBondContact CA-O 3.48Å; K769-K792 HydrophobicContact CB-CB 4.29Å; K769-K792 HydrophobicContact CD-CD 4.4Å; K769-K792 PolarHBondContact N-O 2.99Å; K769-K792 PolarHBondContact O-N 3.4Å; I790-K792 HydrophobicContact CG2-CB 4.22Å; K792-E794 HydrophobicContact CD-CG 4.39Å; K792-E794 WeakPolarHBondContact CE-OE1 3.15Å; K792-E794 HydrophobicContact CG-CG 4.1Å; K792-E794 VanDerWaalsContact NZ-CD 3.32Å; K792-E794 IonicContact NZ-OE1 2.62Å; K792-E794 PolarHBondContact NZ-OE1 2.99Å; K792-E794 IonicContact NZ-OE2 3.11Å; K792-E794 PolarHBondContact NZ-OE2 3.44Å
793	Y	98.4	Very high	91.5	Very high	24 Å²	24	59.8 Å²	59.8	9%	0.094	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128	174.1	172.1	-115.4	0	0	0	108.9	S627 E630 W631 R634 E766 S767 V795	S627-Y793 VanDerWaalsContact CB-N 3.3Å; S627-Y793 PolarHBondContact OG-N 3.42Å; E630-Y793 HydrophobicContact CB-CD1 4.01Å; W631-Y793 HydrophobicContact CB-CD1 4.43Å; W631-Y793 HydrophobicContact CB-CG 4.26Å; W631-Y793 AromaticContact CE3-CD2 3.54Å; W631-Y793 HydrophobicContact CE3-CD2 3.54Å; W631-Y793 AromaticContact CE3-CE2 3.64Å; W631-Y793 HydrophobicContact CE3-CE2 3.64Å; W631-Y793 HydrophobicContact CE3-CG 4.09Å; W631-Y793 HydrophobicContact CZ3-CD2 4.05Å; W631-Y793 AromaticContact CZ3-CE2 3.87Å; W631-Y793 HydrophobicContact CZ3-CE2 3.87Å; R634-Y793 HydrophobicContact CB-CE1 4.13Å; R634-Y793 WeakPolarHBondContact CD-OH 3.03Å; R634-Y793 WeakPolarHBondContact CG-OH 3.17Å; E766-Y793 HydrophobicContact CB-CE2 4.18Å; E766-Y793 PolarHBondContact OE2-OH 3.05Å; S767-Y793 WeakPolarHBondContact O-CA 3.29Å; S767-Y793 WeakPolarHBondContact O-CD2 3.22Å; Y793-V795 HydrophobicContact CE1-CG1 4.01Å
794	E	97.5	Very high	91.4	Very high	56 Å²	56	59.4 Å²	59.4	26%	0.262	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.6	-176.4	-66	173.6	116.2	0	0	109.7	E766 S767 K769 K792	E766-E794 WeakPolarHBondContact CA-O 3.38Å; S767-E794 PolarHBondContact N-O 3.47Å; S767-E794 PolarHBondContact O-N 2.84Å; K769-E794 WeakPolarHBondContact CE-OE2 3.34Å; K769-E794 IonicContact NZ-OE2 2.79Å; K769-E794 PolarHBondContact NZ-OE2 3.48Å; K792-E794 HydrophobicContact CD-CG 4.39Å; K792-E794 WeakPolarHBondContact CE-OE1 3.15Å; K792-E794 HydrophobicContact CG-CG 4.1Å; K792-E794 VanDerWaalsContact NZ-CD 3.32Å; K792-E794 IonicContact NZ-OE1 2.62Å; K792-E794 PolarHBondContact NZ-OE1 2.99Å; K792-E794 IonicContact NZ-OE2 3.11Å; K792-E794 PolarHBondContact NZ-OE2 3.44Å
795	V	95.5	Very high	91.2	Very high	98 Å²	98	62.1 Å²	62.1	59%	0.594	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-97.7	147.5	169.3	-66.5	0	0	0	0	109	Y793	Y793-V795 HydrophobicContact CE1-CG1 4.01Å
796	P	89.6	Confident	91.1	Very high	48 Å²	48	53.7 Å²	53.7	31%	0.312	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-60.6	143.9	177.6	18.4	-24.2	0	0	0	110.9
797	A	76.3	Confident	91	Very high	82 Å²	82	53.3 Å²	53.3	68%	0.678	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-65.7	134.1	174.8	0	0	0	0	0	109.7
798	E	56	Low	90.9	Very high	269 Å²	269	55.5 Å²	55.5	100%	1.257	30%	0.304	S	S	*	.			trans	-64.9	0	178.3	-70	-173.9	167.6	0	0	113.7

Retrieved 798 of 798 residues in 207.9 ms (Link to these results)

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