A0A3Q0KJ05_SCHMA Loading...

Phospholipid-transporting ATPase

AlphaFold DB , UniProt , Accession A0A3Q0KJ05, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,069 aa.

						>A0A3Q0KJ05_SCHMA|A0A3Q0KJ05
MATGSSDSLLDSDNESEQHGKCSACSPSCIGCCRNCRGPKVYHARVVNVGRPSKTQKFPSNRINNQKYNVISFIPLVLFEQFSVFLNLVFLVIACSQFIPELGVGRLYTYWGPLGFVIAVTMIREAVDDIGRWSRDRDVNMAIYGKYVRNKEVAVMSSDIKVGDLIRLEKNQRVPADMILIWTSDRNGSCFIRTDQLDGETDWKLRYAIPTTHAFVNRTGHPSSLWDLEAQVYAEAPRQSIHNFEGTFVRTDVNPTSPTDSEASEVSLNIDHTLWSNTVLATGSAIGLVIYTGSETRAVMNSSRVRTKRGKIDQEINNITKLLFCILVLLALIMVALKGFSGSWYKYWWRFVVLFSYIIPLALRVNMDLAKIVYSFMIMRDKALPNCLVRNTNIPEELGRICYLMSDKTGTLTQNEMVFKKLHLGSVAFASDSMEEVIQGLRNNFTVSPTTGTLSDQLTSQVRRTTNERMADAVLAIAICHNVTPMTETYSNPGSADVPGKDNKEAMAMVELSDPIGYQASSPDEVALVSWTATVGVTLVFRDLHRMRLRLPNDSLVEYEILNLFPFSSESKRMGIIVRDYSSKRIIFYVKGADTVMSSLVSYVDWLEDEAGNLAREGLRTLVVASRTLTEEQYSDFAKRYHSAKMSLTDRVEKMQSVVATLETNLEVLCLTGVEDKLQDGVRPALEALRNAGIRVWMLTGDKLETAACIAKSSRLVGRDTPMYIFKSVSGRMEAHLELNAFRKRCDHALLITGTSMETCLRFYEHEFVELARQSPAVVVCRCSPTQKTQIVTLLRYHTKARVAAIGDGGNDVGMIQASDLGLGLLGKEGRQASLASDFSLAQFKHVTQLLLVHGRNCYKNTAALALFVIHRGSIITVMQAIFSAVFYFVAIPLFPSFLYVGYATVFTMFPVFSLVLDKDVPDRIAITYPELYKTLQKGRELTFKTYFIWQLISVYQGSVIMYGALLLFEDEFIHVVAITFTALLLTELLMVAITIRTWHLLMILAEVISLAIYIMALIVMKAYFDSVFLRTIGFVWKVLAITGVSCIPILILKFIHYKFRPSIYSKLQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	30.2	Very low	248 Å²	248	142.3 Å²	142.3	100%	1.222	87%	0.868	S	S	*	*				0	105.1	0	-80.3	179.3	176.5	0	0	108.3
2	A	35.2	Very low	29.9	Very low	102 Å²	102	138.3 Å²	138.3	84%	0.843	85%	0.851	S	S	*	*			trans	176.4	79.7	153.1	0	0	0	0	0	107.2
3	T	27.8	Very low	29.7	Very low	150 Å²	150	140.1 Å²	140.1	92%	0.92	85%	0.852	S	S	*	*			trans	-72.4	122.4	159.4	42.6	0	0	0	0	107.8
4	G	32.1	Very low	29.6	Very low	68 Å²	68	141.9 Å²	141.9	70%	0.701	85%	0.854	S	S	*	*			trans	-160.4	97.1	175.7	0	0	0	0	0	110.2	S6	G4-S6 PolarHBondContact O-N 3.41Å
5	S	30.6	Very low	29.2	Very low	117 Å²	117	145.9 Å²	145.9	82%	0.818	86%	0.86	S	S	*	*			trans	-48.2	123.8	169.3	45.5	0	0	0	0	111.8
6	S	31.4	Very low	29.1	Very low	120 Å²	120	142.9 Å²	142.9	84%	0.839	85%	0.849	S	S	*	*			trans	-102.4	70.2	171.3	37.4	0	0	0	0	109.4	G4	G4-S6 PolarHBondContact O-N 3.41Å
7	D	29.4	Very low	29.1	Very low	146 Å²	146	143.4 Å²	143.4	78%	0.781	84%	0.841	S	S	*	*			trans	-105.5	140.7	159.8	-82.7	-33.3	0	0	0	108
8	S	30.7	Very low	28.9	Very low	109 Å²	109	146.5 Å²	146.5	76%	0.762	85%	0.846	S	S	*	*			trans	95.9	69.3	-179.1	75.6	0	0	0	0	117.4
9	L	27.8	Very low	29	Very low	173 Å²	173	147.1 Å²	147.1	91%	0.906	84%	0.84	S	S	*	*	S	Bend	trans	-115.6	22	155.4	-96.3	168.7	0	0	0	112.4
10	L	28.1	Very low	29.2	Very low	165 Å²	165	143.5 Å²	143.5	86%	0.864	84%	0.837	S	S	*	*			trans	-123.8	11	-175.8	-73.1	175.7	0	0	0	116.2
11	D	27	Very low	29.1	Very low	167 Å²	167	147 Å²	147	89%	0.893	84%	0.841	S	S	*	*			trans	-110.4	57.4	175.8	-84.7	-24.6	0	0	0	113
12	S	27.2	Very low	29.2	Very low	94 Å²	94	139.9 Å²	139.9	66%	0.657	82%	0.815	S	S	*	*			trans	-141.3	88.8	162.9	63.7	0	0	0	0	109.1
13	D	27.7	Very low	29.6	Very low	162 Å²	162	141.4 Å²	141.4	87%	0.866	82%	0.82	S	S	*	*			trans	179.4	40.2	152.7	-88.9	-14.9	0	0	0	113.6
14	N	27.4	Very low	30.4	Very low	165 Å²	165	138.6 Å²	138.6	88%	0.882	81%	0.812	S	S	*	*			trans	-116.5	22.8	168.7	-98.6	-20	0	0	0	114
15	E	24.6	Very low	30.5	Very low	202 Å²	202	139 Å²	139	94%	0.944	80%	0.803	S	S	*	*			trans	-96.9	67.9	164	-70.3	-164	156.5	0	0	110.6
16	S	27.6	Very low	30.9	Very low	99 Å²	99	136.6 Å²	136.6	69%	0.692	79%	0.786	S	S	*	*			trans	-104.4	113.9	164.1	49	0	0	0	0	110.4
17	E	28.5	Very low	31.4	Very low	150 Å²	150	136.5 Å²	136.5	70%	0.701	78%	0.783	S	S	*	*			trans	71.2	62.2	161	-56.5	-171.6	171.1	0	0	118.9	H19	E17-H19 VanDerWaalsContact C-N 3.25Å; E17-H19 PolarHBondContact O-N 3.16Å; E17-H19 VanDerWaalsContact O-N 3.09Å
18	Q	25.5	Very low	32	Very low	200 Å²	200	134.4 Å²	134.4	94%	0.935	78%	0.78	S	S	*	*			trans	-75.7	77.6	149.3	-74.9	-167.9	8.3	0	0	110.5	G20	Q18-G20 PolarHBondContact O-N 3.3Å
19	H	31.5	Very low	32.1	Very low	158 Å²	158	133.2 Å²	133.2	73%	0.731	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-68.5	122.1	165	-83.8	-60	0	0	0	110.1	E17	E17-H19 VanDerWaalsContact C-N 3.25Å; E17-H19 PolarHBondContact O-N 3.16Å; E17-H19 VanDerWaalsContact O-N 3.09Å
20	G	31.9	Very low	32.5	Very low	75 Å²	75	131.9 Å²	131.9	77%	0.773	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-51.7	131.8	-163.7	0	0	0	0	0	116.4	Q18 C22	Q18-G20 PolarHBondContact O-N 3.3Å; G20-C22 PolarHBondContact O-N 2.99Å
21	K	28.3	Very low	33.2	Very low	216 Å²	216	127.7 Å²	127.7	94%	0.939	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-63.6	119.6	162	-73.3	176.2	178.4	172	0	108.6	S23	K21-S23 PolarHBondContact O-N 3.48Å
22	C	32.2	Very low	33.7	Very low	100 Å²	100	125.7 Å²	125.7	68%	0.676	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-62.1	117.5	168.9	-126.6	0	0	0	0	109.1	G20 A24	G20-C22 PolarHBondContact O-N 2.99Å; C22-A24 PolarHBondContact O-N 3.03Å; C22-A24 VanDerWaalsContact O-N 3.16Å
23	S	44.7	Very low	34.1	Very low	133 Å²	133	125 Å²	125	93%	0.93	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-3.2	-178.3	51.7	0	0	0	0	114.9	K21	K21-S23 PolarHBondContact O-N 3.48Å
24	A	43.8	Very low	34.7	Very low	91 Å²	91	128.2 Å²	128.2	75%	0.752	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99	4.1	-173.3	0	0	0	0	0	115.3	C22	C22-A24 PolarHBondContact O-N 3.03Å; C22-A24 VanDerWaalsContact O-N 3.16Å
25	C	34.5	Very low	35.3	Very low	78 Å²	78	128.3 Å²	128.3	53%	0.527	75%	0.752	S	S	.	*			trans	-102.1	108.4	-179.3	-74.1	0	0	0	0	111.6
26	S	38.6	Very low	35.8	Very low	66 Å²	66	122.4 Å²	122.4	46%	0.462	73%	0.732	S	S	.	*			trans	-62.5	149.8	169.4	121.6	0	0	0	0	111.1	S28 C29	S26-S28 PolarHBondContact O-N 3.21Å; S26-S28 PolarHBondContact OG-N 3.07Å; S26-S28 PolarHBondContact OG-OG 2.83Å; S26-C29 PolarHBondContact O-N 2.8Å
27	P	43.6	Very low	36.4	Very low	117 Å²	117	126.9 Å²	126.9	76%	0.76	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-5.9	-175.9	23.6	-31.6	0	0	0	115.2	I30	P27-I30 WeakPolarHBondContact O-CD1 3.38Å; P27-I30 WeakPolarHBondContact O-CG1 3.24Å
28	S	40.6	Very low	37	Very low	103 Å²	103	122.4 Å²	122.4	72%	0.72	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-10.6	175.2	66.5	0	0	0	0	114.3	S26 I30	S26-S28 PolarHBondContact O-N 3.21Å; S26-S28 PolarHBondContact OG-N 3.07Å; S26-S28 PolarHBondContact OG-OG 2.83Å; S28-I30 VanDerWaalsContact C-N 3.31Å; S28-I30 PolarHBondContact O-N 3.35Å
29	C	33.1	Very low	38.6	Very low	84 Å²	84	118.2 Å²	118.2	57%	0.568	72%	0.717	S	S	*	*			trans	-88.5	30.7	-176.4	-75.2	0	0	0	0	115	S26 G31	S26-C29 PolarHBondContact O-N 2.8Å; C29-G31 PolarHBondContact O-N 3.34Å
30	I	36.9	Very low	40.2	Very low	144 Å²	144	117.2 Å²	117.2	74%	0.738	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	-11.7	-176.1	-69.2	168.3	0	0	0	113.4	P27 S28	P27-I30 WeakPolarHBondContact O-CD1 3.38Å; P27-I30 WeakPolarHBondContact O-CG1 3.24Å; S28-I30 VanDerWaalsContact C-N 3.31Å; S28-I30 PolarHBondContact O-N 3.35Å
31	G	42.1	Very low	42.3	Very low	77 Å²	77	119 Å²	119	79%	0.794	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-33.3	-176.6	0	0	0	0	0	117.7	C29	C29-G31 PolarHBondContact O-N 3.34Å
32	C	37.9	Very low	44.9	Very low	125 Å²	125	112.8 Å²	112.8	85%	0.845	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-28.5	-157.9	-82.6	0	0	0	0	117.2
33	C	34.2	Very low	47.3	Very low	79 Å²	79	114.3 Å²	114.3	53%	0.534	68%	0.675	S	S	.	*			trans	-104.3	96.3	-175.4	-88	0	0	0	0	113	N35 C36	C33-N35 PolarHBondContact O-N 2.99Å; C33-C36 HydrophobicContact CB-CB 3.97Å; C33-C36 WeakPolarHBondContact CB-SG 3.22Å; C33-C36 PolarHBondContact O-N 3.08Å
34	R	42.1	Very low	49.3	Very low	230 Å²	230	109.6 Å²	109.6	87%	0.868	64%	0.644	S	S	*	*	G	3₁₀ helix	trans	-61.1	-27.8	171.5	-108.7	-179.4	177.1	-171	-0.6	113.3	C36	R34-C36 VanDerWaalsContact C-N 3.3Å; R34-C36 PolarHBondContact O-N 3.19Å
35	N	39.6	Very low	51.2	Low	168 Å²	168	106 Å²	106	90%	0.898	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-77.3	-9.9	177.8	-79.3	5.8	0	0	0	114	C33	C33-N35 PolarHBondContact O-N 2.99Å
36	C	35.3	Very low	53.7	Low	77 Å²	77	105.3 Å²	105.3	52%	0.52	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-90	-2.9	178.2	-66.2	0	0	0	0	113.6	C33 R34 G38	C33-C36 HydrophobicContact CB-CB 3.97Å; C33-C36 WeakPolarHBondContact CB-SG 3.22Å; C33-C36 PolarHBondContact O-N 3.08Å; R34-C36 VanDerWaalsContact C-N 3.3Å; R34-C36 PolarHBondContact O-N 3.19Å; C36-G38 PolarHBondContact O-N 3.21Å
37	R	40.3	Very low	55.9	Low	194 Å²	194	102.4 Å²	102.4	73%	0.732	58%	0.584	S	S	*	*	S	Bend	trans	-78.8	110	170.3	-68.9	-172	179.4	-165.2	-0.6	107.4
38	G	40.1	Very low	57.8	Low	56 Å²	56	99.5 Å²	99.5	58%	0.577	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-53.3	167	167.9	0	0	0	0	0	111.9	C36 K40	C36-G38 PolarHBondContact O-N 3.21Å; G38-K40 PolarHBondContact O-N 3.39Å
39	P	58.4	Low	59.6	Low	111 Å²	111	95.1 Å²	95.1	72%	0.721	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-50.4	132.2	178	21.4	-31.6	0	0	0	109.8	V41	P39-V41 PolarHBondContact O-N 3.05Å; P39-V41 VanDerWaalsContact O-N 3.08Å
40	K	66.5	Low	61.3	Low	138 Å²	138	91.2 Å²	91.2	60%	0.6	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-61.7	116.1	178.5	-77.8	-175.3	177.3	-177.3	0	108	G38 Y42	G38-K40 PolarHBondContact O-N 3.39Å; K40-Y42 PolarHBondContact O-N 3.32Å
41	V	75.7	Confident	62.9	Low	113 Å²	113	91.4 Å²	91.4	69%	0.685	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-75.1	121.1	172.3	-177.2	0	0	0	0	107.9	P39	P39-V41 PolarHBondContact O-N 3.05Å; P39-V41 VanDerWaalsContact O-N 3.08Å
42	Y	82.2	Confident	64	Low	85 Å²	85	91.8 Å²	91.8	33%	0.333	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-92	135.9	175.7	-61.8	-72.6	0	0	0	109.5	K40 P237 E295	K40-Y42 PolarHBondContact O-N 3.32Å; Y42-P237 HydrophobicContact CD1-CB 4.2Å; Y42-P237 HydrophobicContact CD1-CG 4.1Å; Y42-P237 HydrophobicContact CG-CB 4.34Å; Y42-P237 HydrophobicContact CG-CG 4.4Å; Y42-E295 HydrophobicContact CD1-CG 4.31Å; Y42-E295 HydrophobicContact CE1-CG 4.03Å
43	H	83.6	Confident	65.3	Low	131 Å²	131	87.7 Å²	87.7	61%	0.606	46%	0.458	S	S	*	.			trans	-110.5	145.6	179	-60.2	-63.9	0	0	0	110.5
44	A	85.3	Confident	66.5	Low	34 Å²	34	94 Å²	94	28%	0.281	48%	0.476	S	S	.	.			trans	-61.7	158	166.9	0	0	0	0	0	110.7	Y233	A44-Y233 HydrophobicContact CB-CE2 3.94Å
45	R	85.2	Confident	67.4	Low	16 Å²	16	89.1 Å²	89.1	6%	0.06	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.3	-169.7	-63.1	175.6	-177.6	-171.9	-5.7	111.6	V47 F58 Y233 A234 E295	R45-V47 HydrophobicContact CB-CG2 4.34Å; R45-F58 VanDerWaalsContact CD-CE1 3.47Å; R45-F58 HydrophobicContact CG-CE1 4.07Å; R45-F58 VanDerWaalsContact NH1-CD1 3.26Å; R45-Y233 WeakPolarHBondContact O-CA 3.49Å; R45-A234 PolarHBondContact N-O 2.77Å; R45-A234 PolarHBondContact O-N 3.48Å; R45-E295 IonicContact CZ-OE1 3.72Å; R45-E295 IonicContact CZ-OE2 3.12Å; R45-E295 IonicContact NH1-OE2 2.95Å; R45-E295 PolarHBondContact NH1-OE2 2.98Å; R45-E295 IonicContact NH2-OE1 2.84Å; R45-E295 PolarHBondContact NH2-OE1 3.08Å; R45-E295 IonicContact NH2-OE2 3.89Å; R45-E295 PolarHBondContact NH2-OE2 2.98Å
46	V	85.7	Confident	68.8	Low	64 Å²	64	85.1 Å²	85.1	39%	0.388	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.5	165.1	-178.2	0	0	0	0	107.2	Q231 V232 Y233	V46-Q231 HydrophobicContact CG1-CB 4.08Å; V46-V232 CarbonylContact C-O 3.46Å; V46-V232 WeakPolarHBondContact CA-O 3.37Å; V46-Y233 HydrophobicContact CG2-CD2 4Å
47	V	85.2	Confident	70.8	Confident	5 Å²	5	91.7 Å²	91.7	3%	0.03	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123	-178.6	-177	0	0	0	0	108.5	R45 V162 V232 L288	R45-V47 HydrophobicContact CB-CG2 4.34Å; V47-V162 HydrophobicContact CG1-CG1 4.04Å; V47-V162 HydrophobicContact CG2-CG1 3.62Å; V47-V232 PolarHBondContact N-O 2.87Å; V47-V232 PolarHBondContact O-N 2.83Å; V47-L288 HydrophobicContact CG1-CD1 4.35Å; V47-L288 HydrophobicContact CG1-CD2 4.2Å; V47-L288 HydrophobicContact CG1-CG 4.37Å
48	N	84.2	Confident	72.9	Confident	55 Å²	55	84.7 Å²	84.7	29%	0.294	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.6	175.8	-62.9	-15.8	0	0	0	109.5	G50 R51 Q231	N48-G50 PolarHBondContact O-N 3.28Å; N48-R51 HydrophobicContact CB-CB 4.1Å; N48-Q231 VanDerWaalsContact OD1-CG 3.29Å; N48-Q231 WeakPolarHBondContact OD1-CG 3.42Å
49	V	78.5	Confident	75.1	Confident	11 Å²	11	83.8 Å²	83.8	7%	0.067	43%	0.426	C	S	.	.	S	Bend	trans	-65.1	123	176.8	179.7	0	0	0	0	109.2	R51 L165 I181 A230 V232 F248 L288	V49-R51 PolarHBondContact O-N 2.97Å; V49-L165 HydrophobicContact CG1-CD1 4.15Å; V49-L165 HydrophobicContact CG1-CD2 4.22Å; V49-I181 HydrophobicContact CG1-CD1 4.43Å; V49-A230 HydrophobicContact CB-CB 4.44Å; V49-A230 HydrophobicContact CG2-CB 3.87Å; V49-A230 PolarHBondContact N-O 3.42Å; V49-V232 HydrophobicContact CG2-CG2 4.4Å; V49-F248 HydrophobicContact CG2-CE2 4.31Å; V49-L288 HydrophobicContact CG2-CD2 4.12Å
50	G	68.4	Low	76.5	Confident	3 Å²	3	82.1 Å²	82.1	3%	0.031	42%	0.417	C	S	.	.	S	Bend	trans	73.4	-25.8	179.4	0	0	0	0	0	116	N48 P52 W226	N48-G50 PolarHBondContact O-N 3.28Å; G50-P52 WeakPolarHBondContact O-CD 3.39Å; G50-W226 VanDerWaalsContact C-CH2 3.45Å; G50-W226 WeakPolarHBondContact O-CH2 3.31Å; G50-W226 WeakPolarHBondContact O-CZ3 3.4Å
51	R	70.8	Confident	77.6	Confident	148 Å²	148	75.7 Å²	75.7	56%	0.558	39%	0.39	S	S	*	.	S	Bend	trans	-93	116.5	-179.7	-64.7	-177.2	-174.9	167.5	6.6	110.7	N48 V49 S53 E229	N48-R51 HydrophobicContact CB-CB 4.1Å; V49-R51 PolarHBondContact O-N 2.97Å; R51-S53 PolarHBondContact O-N 3.01Å; R51-E229 IonicContact CZ-OE1 2.84Å; R51-E229 IonicContact NH1-OE1 2.69Å; R51-E229 PolarHBondContact NH1-OE1 2.93Å; R51-E229 IonicContact NH2-OE1 2.79Å; R51-E229 PolarHBondContact NH2-OE1 2.93Å
52	P	65.8	Low	78.1	Confident	84 Å²	84	77.4 Å²	77.4	55%	0.545	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-62	134.7	173.8	25.5	-32.7	0	0	0	110	G50 K54	G50-P52 WeakPolarHBondContact O-CD 3.39Å; P52-K54 PolarHBondContact O-N 2.98Å
53	S	64.5	Low	78	Confident	40 Å²	40	75.9 Å²	75.9	28%	0.28	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-62.6	123.3	175.7	-176.8	0	0	0	0	110	R51 T55	R51-S53 PolarHBondContact O-N 3.01Å; S53-T55 PolarHBondContact OG-OG1 3.42Å
54	K	59.3	Low	77.8	Confident	211 Å²	211	73.5 Å²	73.5	92%	0.917	37%	0.372	S	S	*	.	S	Bend	trans	-81.3	-22.2	176.4	-69.2	-176.4	179.4	178.4	0	112.6	P52	P52-K54 PolarHBondContact O-N 2.98Å
55	T	59.9	Low	77.2	Confident	128 Å²	128	76 Å²	76	79%	0.785	38%	0.381	S	S	*	.	S	Bend	trans	-95.6	-29.1	-167	52.6	0	0	0	0	113.2	S53	S53-T55 PolarHBondContact OG-OG1 3.42Å
56	Q	69.5	Low	76.7	Confident	83 Å²	83	77.9 Å²	77.9	39%	0.388	39%	0.39	S	S	.	.			trans	-110.1	127.6	-177.4	-66.9	-174.7	0.2	0	0	111.6	F58	Q56-F58 HydrophobicContact CB-CE1 3.78Å; Q56-F58 HydrophobicContact CB-CE2 4.14Å; Q56-F58 HydrophobicContact CB-CZ 3.57Å; Q56-F58 VanDerWaalsContact OE1-CE1 3.31Å
57	K	77.4	Confident	76.1	Confident	215 Å²	215	77.4 Å²	77.4	94%	0.935	38%	0.383	S	S	*	.			trans	-86.9	113.8	171.4	-72.9	-177.1	179.4	176.4	0	109.3
58	F	84.6	Confident	75.9	Confident	48 Å²	48	78.2 Å²	78.2	21%	0.211	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-93.9	156.1	174.9	-57.1	-58.7	0	0	0	111.4	R45 Q56 V162	R45-F58 VanDerWaalsContact CD-CE1 3.47Å; R45-F58 HydrophobicContact CG-CE1 4.07Å; R45-F58 VanDerWaalsContact NH1-CD1 3.26Å; Q56-F58 HydrophobicContact CB-CE1 3.78Å; Q56-F58 HydrophobicContact CB-CE2 4.14Å; Q56-F58 HydrophobicContact CB-CZ 3.57Å; Q56-F58 VanDerWaalsContact OE1-CE1 3.31Å; F58-V162 HydrophobicContact CB-CB 4.47Å; F58-V162 HydrophobicContact CB-CG2 3.84Å; F58-V162 HydrophobicContact CD1-CG2 4.36Å; F58-V162 HydrophobicContact CD2-CB 3.51Å; F58-V162 HydrophobicContact CD2-CG1 3.98Å; F58-V162 HydrophobicContact CD2-CG2 3.78Å; F58-V162 HydrophobicContact CE2-CB 3.82Å; F58-V162 HydrophobicContact CE2-CG1 3.77Å; F58-V162 HydrophobicContact CE2-CG2 4.4Å; F58-V162 HydrophobicContact CG-CB 4.01Å; F58-V162 HydrophobicContact CG-CG2 3.72Å; F58-V162 HydrophobicContact CZ-CG1 4.17Å
59	P	86.3	Confident	75.8	Confident	37 Å²	37	80.5 Å²	80.5	24%	0.24	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-60.2	155.7	171.6	28.5	-37.3	0	0	0	111.6	T292 E295	P59-T292 VanDerWaalsContact CG-O 3.27Å; P59-T292 WeakPolarHBondContact CG-O 3.28Å; P59-T292 PolarHBondContact O-OG1 2.77Å; P59-E295 WeakPolarHBondContact CD-OE2 3.19Å; P59-E295 HydrophobicContact CG-CB 4.4Å; P59-E295 VanDerWaalsContact CG-CD 3.44Å; P59-E295 HydrophobicContact CG-CG 3.92Å; P59-E295 WeakPolarHBondContact CG-OE2 3.14Å
60	S	88.5	Confident	75.9	Confident	75 Å²	75	86.6 Å²	86.6	52%	0.524	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-75.2	147	171.6	170.1	0	0	0	0	110.2	R62 G293	S60-R62 PolarHBondContact O-N 2.92Å; S60-R62 WeakPolarHBondContact OG-CB 3.32Å; S60-R62 PolarHBondContact OG-N 3.2Å; S60-R62 VanDerWaalsContact OG-N 3.15Å; S60-G293 WeakPolarHBondContact O-CA 3.26Å
61	N	89.3	Confident	76.6	Confident	4 Å²	4	93.8 Å²	93.8	2%	0.021	47%	0.471	C	S	.	.			trans	-75.2	1.6	172.9	-157.1	47.4	0	0	0	114	I63 S157 I160 P175 T292 G293	N61-I63 PolarHBondContact O-N 3Å; N61-S157 WeakPolarHBondContact CB-O 3.39Å; N61-S157 PolarHBondContact ND2-O 3.11Å; N61-I160 HydrophobicContact CB-CB 4.44Å; N61-I160 WeakPolarHBondContact CB-O 3.33Å; N61-P175 PolarHBondContact ND2-O 2.79Å; N61-P175 VanDerWaalsContact ND2-O 3.12Å; N61-T292 HydrophobicContact CB-CG2 4.28Å; N61-G293 PolarHBondContact OD1-N 3.08Å
62	R	86.9	Confident	77.3	Confident	149 Å²	149	88.3 Å²	88.3	56%	0.562	46%	0.455	S	S	*	.			trans	-65.2	123	176.9	-173.5	178.1	179.4	179.3	-0.1	110.9	S60 N140	S60-R62 PolarHBondContact O-N 2.92Å; S60-R62 WeakPolarHBondContact OG-CB 3.32Å; S60-R62 PolarHBondContact OG-N 3.2Å; S60-R62 VanDerWaalsContact OG-N 3.15Å; R62-N140 WeakPolarHBondContact CA-OD1 3.49Å
63	I	79.6	Confident	78.3	Confident	53 Å²	53	86 Å²	86	27%	0.272	44%	0.437	S	S	.	.			trans	-85.1	128.8	174.3	-64.4	168.8	0	0	0	108.6	N61 N65 V139 N140	N61-I63 PolarHBondContact O-N 3Å; I63-N65 WeakPolarHBondContact CG2-ND2 3.45Å; I63-V139 HydrophobicContact CD1-CG1 3.73Å; I63-N140 PolarHBondContact N-OD1 3.23Å; I63-N140 PolarHBondContact O-ND2 2.9Å
64	N	78.5	Confident	79.4	Confident	80 Å²	80	88.7 Å²	88.7	43%	0.428	45%	0.447	S	S	.	.			trans	-138.1	108	174.1	-176.1	1.9	0	0	0	110	Q66	N64-Q66 WeakPolarHBondContact OD1-CB 3.33Å; N64-Q66 WeakPolarHBondContact OD1-CG 3.03Å; N64-Q66 PolarHBondContact OD1-N 3.38Å; N64-Q66 PolarHBondContact OD1-OE1 3.27Å
65	N	73.7	Confident	80.7	Confident	88 Å²	88	82.3 Å²	82.3	47%	0.471	43%	0.427	S	S	.	.			trans	-105.3	10	177.4	-62	-53.4	0	0	0	112.4	I63 D136	I63-N65 WeakPolarHBondContact CG2-ND2 3.45Å; N65-D136 PolarHBondContact N-OD2 3.46Å; N65-D136 PolarHBondContact ND2-OD1 2.78Å
66	Q	74.8	Confident	81.9	Confident	54 Å²	54	80.3 Å²	80.3	25%	0.252	41%	0.411	S	S	.	.			trans	-62.3	143.2	175.1	-61.6	180	-65.6	0	0	110.6	N64 W133	N64-Q66 WeakPolarHBondContact OD1-CB 3.33Å; N64-Q66 WeakPolarHBondContact OD1-CG 3.03Å; N64-Q66 PolarHBondContact OD1-N 3.38Å; N64-Q66 PolarHBondContact OD1-OE1 3.27Å; Q66-W133 HydrophobicContact CG-CB 4.36Å; Q66-W133 VanDerWaalsContact NE2-CB 3.32Å
67	K	72.7	Confident	82.6	Confident	55 Å²	55	76.4 Å²	76.4	24%	0.239	39%	0.393	C	S	.	.	S	Bend	trans	-77.3	-36.4	172.8	-74.2	169.4	171.6	172.3	0	111.2	E125 D129 R132 T307	K67-E125 IonicContact NZ-OE1 2.67Å; K67-E125 PolarHBondContact NZ-OE1 3.14Å; K67-D129 PolarHBondContact N-OD1 3.23Å; K67-R132 VanDerWaalsContact CE-NH1 3.34Å; K67-T307 HydrophobicContact CD-CG2 4.48Å
68	Y	80.6	Confident	83	Confident	22 Å²	22	68.5 Å²	68.5	9%	0.086	36%	0.361	C	S	.	.			trans	-124.8	150.3	-169.3	-51.2	-75.2	0	0	0	111.2	F73 L76 V77 E125 D129	Y68-F73 AromaticContact CD2-CD2 3.79Å; Y68-F73 HydrophobicContact CD2-CD2 3.79Å; Y68-F73 HydrophobicContact CD2-CE2 4.2Å; Y68-F73 AromaticContact CG-CD2 3.85Å; Y68-F73 HydrophobicContact CG-CD2 3.85Å; Y68-L76 HydrophobicContact CD1-CB 4Å; Y68-L76 HydrophobicContact CD1-CD1 4.1Å; Y68-L76 HydrophobicContact CE1-CB 3.83Å; Y68-L76 HydrophobicContact CE1-CD1 4.47Å; Y68-V77 HydrophobicContact CD1-CG2 4.29Å; Y68-V77 HydrophobicContact CD2-CG2 4.45Å; Y68-V77 HydrophobicContact CE1-CG2 3.84Å; Y68-V77 HydrophobicContact CE2-CG2 4.02Å; Y68-E125 HydrophobicContact CE2-CG 3.66Å; Y68-D129 HydrophobicContact CD2-CB 4.44Å
69	N	82.6	Confident	83	Confident	103 Å²	103	73.5 Å²	73.5	55%	0.551	38%	0.383	S	S	*	.			trans	-95.4	160.2	161.5	-68.2	-12.7	0	0	0	108	I71 S72 F73	N69-I71 PolarHBondContact O-N 3.2Å; N69-S72 PolarHBondContact N-OG 3.4Å; N69-S72 CarbonylContact O-C 3.56Å; N69-S72 PolarHBondContact O-N 3.27Å; N69-S72 PolarHBondContact O-OG 2.85Å; N69-F73 WeakPolarHBondContact O-CB 3.41Å; N69-F73 PolarHBondContact O-N 2.9Å
70	V	79.9	Confident	82.8	Confident	139 Å²	139	74.4 Å²	74.4	84%	0.842	38%	0.384	S	S	*	.	H	α-helix	trans	-49.9	-40.3	179.3	-178.9	0	0	0	0	112.6
71	I	83.9	Confident	82.5	Confident	154 Å²	154	71.8 Å²	71.8	79%	0.79	36%	0.363	S	S	*	.	H	α-helix	trans	-79.1	-37.2	179.5	-56.4	172.1	0	0	0	111.9	N69 F73 P75	N69-I71 PolarHBondContact O-N 3.2Å; I71-F73 VanDerWaalsContact C-N 3.35Å; I71-P75 VanDerWaalsContact O-CD 3.25Å; I71-P75 WeakPolarHBondContact O-CD 3.34Å
72	S	84.9	Confident	82.2	Confident	32 Å²	32	73.9 Å²	73.9	22%	0.224	37%	0.372	C	S	.	.	H	α-helix	trans	-83.7	-13.1	-176.8	70.1	0	0	0	0	113.4	N69 P75 L76	N69-S72 PolarHBondContact N-OG 3.4Å; N69-S72 CarbonylContact O-C 3.56Å; N69-S72 PolarHBondContact O-N 3.27Å; N69-S72 PolarHBondContact O-OG 2.85Å; S72-P75 WeakPolarHBondContact O-CD 3.37Å; S72-L76 VanDerWaalsContact O-CB 3.23Å; S72-L76 WeakPolarHBondContact O-CB 3.2Å; S72-L76 WeakPolarHBondContact O-CD1 3.43Å; S72-L76 VanDerWaalsContact O-CG 3.3Å; S72-L76 WeakPolarHBondContact O-CG 3.5Å; S72-L76 PolarHBondContact O-N 3.35Å; S72-L76 VanDerWaalsContact O-N 3.14Å
73	F	87.1	Confident	81.8	Confident	36 Å²	36	70.1 Å²	70.1	16%	0.158	37%	0.369	C	S	.	.	H	α-helix	trans	-56.2	-60.3	-179.4	178.7	-104.5	0	0	0	111.7	Y68 N69 I71 V77 M122 E125 A126	Y68-F73 AromaticContact CD2-CD2 3.79Å; Y68-F73 HydrophobicContact CD2-CD2 3.79Å; Y68-F73 HydrophobicContact CD2-CE2 4.2Å; Y68-F73 AromaticContact CG-CD2 3.85Å; Y68-F73 HydrophobicContact CG-CD2 3.85Å; N69-F73 WeakPolarHBondContact O-CB 3.41Å; N69-F73 PolarHBondContact O-N 2.9Å; I71-F73 VanDerWaalsContact C-N 3.35Å; F73-V77 HydrophobicContact CD2-CG2 3.93Å; F73-V77 HydrophobicContact CE2-CG2 3.8Å; F73-V77 HydrophobicContact CG-CG2 4.47Å; F73-V77 HydrophobicContact CZ-CG2 4.24Å; F73-V77 WeakPolarHBondContact O-CB 3.35Å; F73-V77 WeakPolarHBondContact O-CG2 3.26Å; F73-V77 PolarHBondContact O-N 3.44Å; F73-M122 WeakPolarHBondContact CZ-O 3.3Å; F73-E125 HydrophobicContact CE2-CB 4.34Å; F73-E125 HydrophobicContact CE2-CG 4.28Å; F73-A126 HydrophobicContact CE1-CB 4.19Å; F73-A126 HydrophobicContact CE2-CB 4.21Å; F73-A126 HydrophobicContact CZ-CB 3.6Å
74	I	87	Confident	81.9	Confident	97 Å²	97	68.6 Å²	68.6	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-58.9	-55.8	-177	-59.6	176.1	0	0	0	112.4	L76 V77 L78	I74-L76 PolarHBondContact O-N 3.26Å; I74-V77 PolarHBondContact O-N 3.3Å; I74-L78 HydrophobicContact CG2-CD1 3.72Å; I74-L78 HydrophobicContact CG2-CG 4.37Å; I74-L78 WeakPolarHBondContact O-CB 3.37Å; I74-L78 VanDerWaalsContact O-CG 3.23Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 3.05Å
75	P	86.6	Confident	82.2	Confident	76 Å²	76	67.2 Å²	67.2	49%	0.494	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-39.6	-174.9	24.7	-34.2	0	0	0	113.3	I71 S72 F79	I71-P75 VanDerWaalsContact O-CD 3.25Å; I71-P75 WeakPolarHBondContact O-CD 3.34Å; S72-P75 WeakPolarHBondContact O-CD 3.37Å; P75-F79 WeakPolarHBondContact O-CB 3.47Å; P75-F79 PolarHBondContact O-N 2.92Å
76	L	85.1	Confident	82.6	Confident	86 Å²	86	63.4 Å²	63.4	45%	0.45	33%	0.332	S	S	.	.	H	α-helix	trans	-72.2	-39.5	-179.8	-68.7	171.7	0	0	0	111.9	Y68 S72 I74 F79 E80	Y68-L76 HydrophobicContact CD1-CB 4Å; Y68-L76 HydrophobicContact CD1-CD1 4.1Å; Y68-L76 HydrophobicContact CE1-CB 3.83Å; Y68-L76 HydrophobicContact CE1-CD1 4.47Å; S72-L76 VanDerWaalsContact O-CB 3.23Å; S72-L76 WeakPolarHBondContact O-CB 3.2Å; S72-L76 WeakPolarHBondContact O-CD1 3.43Å; S72-L76 VanDerWaalsContact O-CG 3.3Å; S72-L76 WeakPolarHBondContact O-CG 3.5Å; S72-L76 PolarHBondContact O-N 3.35Å; S72-L76 VanDerWaalsContact O-N 3.14Å; I74-L76 PolarHBondContact O-N 3.26Å; L76-F79 PolarHBondContact O-N 3.23Å; L76-E80 WeakPolarHBondContact O-CB 3.4Å; L76-E80 PolarHBondContact O-N 2.97Å
77	V	84.8	Confident	83	Confident	2 Å²	2	61 Å²	61	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-64.8	-45.6	176.2	172.8	0	0	0	0	109.9	Y68 F73 I74 F79 E80 Q81 M122 E125	Y68-V77 HydrophobicContact CD1-CG2 4.29Å; Y68-V77 HydrophobicContact CD2-CG2 4.45Å; Y68-V77 HydrophobicContact CE1-CG2 3.84Å; Y68-V77 HydrophobicContact CE2-CG2 4.02Å; F73-V77 HydrophobicContact CD2-CG2 3.93Å; F73-V77 HydrophobicContact CE2-CG2 3.8Å; F73-V77 HydrophobicContact CG-CG2 4.47Å; F73-V77 HydrophobicContact CZ-CG2 4.24Å; F73-V77 WeakPolarHBondContact O-CB 3.35Å; F73-V77 WeakPolarHBondContact O-CG2 3.26Å; F73-V77 PolarHBondContact O-N 3.44Å; I74-V77 PolarHBondContact O-N 3.3Å; V77-F79 PolarHBondContact O-N 3.07Å; V77-E80 PolarHBondContact O-N 2.95Å; V77-Q81 HydrophobicContact CG1-CG 4.29Å; V77-Q81 VanDerWaalsContact O-CG 3.3Å; V77-Q81 WeakPolarHBondContact O-CG 3.48Å; V77-Q81 PolarHBondContact O-N 3.31Å; V77-M122 HydrophobicContact CG1-CG 3.95Å; V77-E125 HydrophobicContact CG2-CG 4.17Å
78	L	85.8	Confident	83.7	Confident	49 Å²	49	62 Å²	62	26%	0.257	33%	0.329	S	S	.	.	H	α-helix	trans	-60.4	-44	176.1	-72.1	174.3	0	0	0	112.1	I74 E80 Q81 F82 I118 M122	I74-L78 HydrophobicContact CG2-CD1 3.72Å; I74-L78 HydrophobicContact CG2-CG 4.37Å; I74-L78 WeakPolarHBondContact O-CB 3.37Å; I74-L78 VanDerWaalsContact O-CG 3.23Å; I74-L78 WeakPolarHBondContact O-CG 3.42Å; I74-L78 PolarHBondContact O-N 3.05Å; L78-E80 VanDerWaalsContact C-N 3.34Å; L78-E80 PolarHBondContact O-N 3.37Å; L78-Q81 PolarHBondContact O-N 3.47Å; L78-F82 HydrophobicContact CB-CD2 4.45Å; L78-F82 HydrophobicContact CB-CE2 4.42Å; L78-F82 HydrophobicContact CD2-CE2 4.18Å; L78-F82 WeakPolarHBondContact O-CD2 3.18Å; L78-F82 PolarHBondContact O-N 2.83Å; L78-I118 HydrophobicContact CD2-CG2 3.54Å; L78-M122 HydrophobicContact CD2-SD 4.26Å
79	F	85.3	Confident	84	Confident	153 Å²	153	61.4 Å²	61.4	67%	0.671	33%	0.327	S	S	*	.	H	α-helix	trans	-59.5	-44.7	176.2	-178.3	-96.9	0	0	0	112	P75 L76 V77 F82 S83	P75-F79 WeakPolarHBondContact O-CB 3.47Å; P75-F79 PolarHBondContact O-N 2.92Å; L76-F79 PolarHBondContact O-N 3.23Å; V77-F79 PolarHBondContact O-N 3.07Å; F79-F82 PolarHBondContact O-N 3.21Å; F79-S83 WeakPolarHBondContact O-CB 3.32Å; F79-S83 PolarHBondContact O-N 3.11Å
80	E	80.5	Confident	84.1	Confident	56 Å²	56	57.1 Å²	57.1	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-65.3	-38.6	177.3	-174.3	67.7	-174.1	0	0	111.9	L76 V77 L78 S83 R309	L76-E80 WeakPolarHBondContact O-CB 3.4Å; L76-E80 PolarHBondContact O-N 2.97Å; V77-E80 PolarHBondContact O-N 2.95Å; L78-E80 VanDerWaalsContact C-N 3.34Å; L78-E80 PolarHBondContact O-N 3.37Å; E80-S83 WeakPolarHBondContact O-CB 3.36Å; E80-S83 PolarHBondContact O-N 2.86Å; E80-R309 VanDerWaalsContact CD-NH2 3.29Å; E80-R309 IonicContact OE1-CZ 2.86Å; E80-R309 IonicContact OE1-NE 2.76Å; E80-R309 PolarHBondContact OE1-NE 2.82Å; E80-R309 IonicContact OE1-NH2 3.78Å; E80-R309 PolarHBondContact OE1-NH2 3.35Å; E80-R309 IonicContact OE2-NH2 2.79Å
81	Q	82.5	Confident	84.5	Confident	20 Å²	20	52.7 Å²	52.7	9%	0.093	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-42.4	176.5	-68.9	-51.4	-36	0	0	111.9	V77 L78 S83 V84 N87	V77-Q81 HydrophobicContact CG1-CG 4.29Å; V77-Q81 VanDerWaalsContact O-CG 3.3Å; V77-Q81 WeakPolarHBondContact O-CG 3.48Å; V77-Q81 PolarHBondContact O-N 3.31Å; L78-Q81 PolarHBondContact O-N 3.47Å; Q81-S83 VanDerWaalsContact C-N 3.33Å; Q81-V84 WeakPolarHBondContact O-CB 3.23Å; Q81-V84 PolarHBondContact O-N 3.39Å; Q81-N87 VanDerWaalsContact O-CB 3.3Å; Q81-N87 WeakPolarHBondContact O-CB 3.31Å; Q81-N87 PolarHBondContact O-ND2 3.18Å
82	F	83.2	Confident	84.8	Confident	47 Å²	47	48.8 Å²	48.8	21%	0.206	26%	0.258	C	S	.	.	H	α-helix	trans	-79.4	-13.2	177.8	-68.1	-58.5	0	0	0	113.9	L78 F79 V84 N87 L91 I118	L78-F82 HydrophobicContact CB-CD2 4.45Å; L78-F82 HydrophobicContact CB-CE2 4.42Å; L78-F82 HydrophobicContact CD2-CE2 4.18Å; L78-F82 WeakPolarHBondContact O-CD2 3.18Å; L78-F82 PolarHBondContact O-N 2.83Å; F79-F82 PolarHBondContact O-N 3.21Å; F82-V84 PolarHBondContact O-N 3.34Å; F82-N87 HydrophobicContact CD1-CB 4.14Å; F82-L91 HydrophobicContact CD1-CB 4.07Å; F82-L91 HydrophobicContact CD1-CD2 3.84Å; F82-L91 HydrophobicContact CD1-CG 4.47Å; F82-L91 HydrophobicContact CD2-CD2 4.46Å; F82-L91 HydrophobicContact CE1-CB 3.73Å; F82-L91 HydrophobicContact CE1-CD1 4.05Å; F82-L91 HydrophobicContact CE1-CD2 3.78Å; F82-L91 HydrophobicContact CE1-CG 4.06Å; F82-L91 HydrophobicContact CE2-CD2 4.39Å; F82-L91 HydrophobicContact CG-CD2 4.2Å; F82-L91 HydrophobicContact CZ-CD1 4.01Å; F82-L91 HydrophobicContact CZ-CD2 4.06Å; F82-L91 HydrophobicContact CZ-CG 4.43Å; F82-I118 HydrophobicContact CE1-CD1 4.25Å; F82-I118 HydrophobicContact CE2-CD1 4.46Å; F82-I118 HydrophobicContact CZ-CD1 3.65Å
83	S	80	Confident	85.1	Confident	71 Å²	71	47.7 Å²	47.7	50%	0.497	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.9	166.1	-177.9	0	0	0	0	111.8	F79 E80 Q81	F79-S83 WeakPolarHBondContact O-CB 3.32Å; F79-S83 PolarHBondContact O-N 3.11Å; E80-S83 WeakPolarHBondContact O-CB 3.36Å; E80-S83 PolarHBondContact O-N 2.86Å; Q81-S83 VanDerWaalsContact C-N 3.33Å
84	V	80	Confident	85.1	Confident	20 Å²	20	46 Å²	46	12%	0.121	24%	0.242	C	C	.	.	S	Bend	trans	-76.5	124.4	173.6	-174.8	0	0	0	0	109.9	Q81 F82 L86 N87 L88	Q81-V84 WeakPolarHBondContact O-CB 3.23Å; Q81-V84 PolarHBondContact O-N 3.39Å; F82-V84 PolarHBondContact O-N 3.34Å; V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 HydrophobicContact CG1-CB 4.22Å; V84-L86 PolarHBondContact O-N 2.91Å; V84-N87 PolarHBondContact O-N 3.27Å; V84-N87 VanDerWaalsContact O-N 3.1Å; V84-L88 PolarHBondContact O-N 3.4Å; V84-L88 VanDerWaalsContact O-N 3.1Å
85	F	84.6	Confident	85.3	Confident	51 Å²	51	44.1 Å²	44.1	22%	0.224	24%	0.237	C	C	.	.	H	α-helix	trans	-54.8	-40.3	-175.2	-178.9	-100.6	0	0	0	113	N87 L88 V89 N317 T320 K321 F324	F85-N87 PolarHBondContact O-N 2.87Å; F85-L88 PolarHBondContact O-N 2.88Å; F85-V89 HydrophobicContact CD1-CG2 4.13Å; F85-V89 HydrophobicContact CE1-CG2 3.7Å; F85-V89 HydrophobicContact CE2-CG2 4.12Å; F85-V89 HydrophobicContact CZ-CG2 3.69Å; F85-V89 WeakPolarHBondContact O-CG2 3.31Å; F85-V89 PolarHBondContact O-N 2.65Å; F85-N317 WeakPolarHBondContact CB-OD1 3.45Å; F85-T320 HydrophobicContact CD1-CG2 4.1Å; F85-T320 HydrophobicContact CE1-CG2 4.44Å; F85-K321 HydrophobicContact CD1-CB 4.47Å; F85-K321 HydrophobicContact CD1-CG 3.58Å; F85-K321 HydrophobicContact CD2-CG 4.44Å; F85-K321 HydrophobicContact CE1-CB 4.27Å; F85-K321 HydrophobicContact CE1-CG 3.77Å; F85-K321 HydrophobicContact CG-CG 3.95Å; F85-K321 HydrophobicContact CZ-CG 4.27Å; F85-F324 HydrophobicContact CE1-CB 3.79Å; F85-F324 HydrophobicContact CE1-CD1 4.46Å; F85-F324 HydrophobicContact CE1-CG 4.07Å; F85-F324 HydrophobicContact CZ-CB 3.95Å; F85-F324 AromaticContact CZ-CD1 3.76Å; F85-F324 HydrophobicContact CZ-CD1 3.76Å; F85-F324 HydrophobicContact CZ-CD2 4.42Å; F85-F324 HydrophobicContact CZ-CE1 4.38Å; F85-F324 AromaticContact CZ-CG 3.78Å; F85-F324 HydrophobicContact CZ-CG 3.78Å
86	L	82.7	Confident	85.5	Confident	8 Å²	8	40.9 Å²	40.9	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-54.2	-53.1	176.2	-179	69.6	0	0	0	112.4	V84 L88 V89 F90 T320 I359 R364	V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 HydrophobicContact CG1-CB 4.22Å; V84-L86 PolarHBondContact O-N 2.91Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.37Å; L86-V89 PolarHBondContact O-N 3.24Å; L86-F90 HydrophobicContact CD1-CD2 4.32Å; L86-F90 HydrophobicContact CD1-CE2 3.4Å; L86-F90 VanDerWaalsContact CD1-CE2 3.4Å; L86-F90 HydrophobicContact CD1-CZ 3.65Å; L86-F90 HydrophobicContact CD2-CE2 4.25Å; L86-F90 HydrophobicContact CG-CD2 4.12Å; L86-F90 HydrophobicContact CG-CE2 3.51Å; L86-F90 HydrophobicContact CG-CZ 4.28Å; L86-F90 WeakPolarHBondContact O-CD2 3.34Å; L86-F90 WeakPolarHBondContact O-CG 3.47Å; L86-F90 PolarHBondContact O-N 3.49Å; L86-T320 HydrophobicContact CB-CG2 4.14Å; L86-T320 HydrophobicContact CD1-CG2 3.58Å; L86-T320 HydrophobicContact CG-CG2 4.48Å; L86-I359 HydrophobicContact CD1-CG2 3.26Å; L86-R364 HydrophobicContact CD2-CB 3.95Å
87	N	83.3	Confident	85.6	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-68.7	-34.2	-178.3	-68	-18.2	0	0	0	111.8	Q81 F82 V84 F85 F90 L91	Q81-N87 VanDerWaalsContact O-CB 3.3Å; Q81-N87 WeakPolarHBondContact O-CB 3.31Å; Q81-N87 PolarHBondContact O-ND2 3.18Å; F82-N87 HydrophobicContact CD1-CB 4.14Å; V84-N87 PolarHBondContact O-N 3.27Å; V84-N87 VanDerWaalsContact O-N 3.1Å; F85-N87 PolarHBondContact O-N 2.87Å; N87-F90 PolarHBondContact O-N 2.99Å; N87-L91 PolarHBondContact O-N 3.13Å
88	L	87.3	Confident	85.9	Confident	78 Å²	78	43.2 Å²	43.2	41%	0.408	22%	0.223	S	C	.	.	H	α-helix	trans	-62.2	-46	175	-176.8	64.8	0	0	0	111.7	V84 F85 L86 F90 L91 V92	V84-L88 PolarHBondContact O-N 3.4Å; V84-L88 VanDerWaalsContact O-N 3.1Å; F85-L88 PolarHBondContact O-N 2.88Å; L86-L88 VanDerWaalsContact C-N 3.33Å; L86-L88 PolarHBondContact O-N 3.37Å; L88-F90 VanDerWaalsContact C-N 3.3Å; L88-F90 PolarHBondContact O-N 3.42Å; L88-L91 PolarHBondContact O-N 3.06Å; L88-V92 WeakPolarHBondContact O-CG2 3.45Å; L88-V92 PolarHBondContact O-N 2.91Å
89	V	86.4	Confident	86	Confident	8 Å²	8	44.9 Å²	44.9	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-44.1	176.8	169.3	0	0	0	0	110.6	F85 L86 L91 V92 I93 F324 I359	F85-V89 HydrophobicContact CD1-CG2 4.13Å; F85-V89 HydrophobicContact CE1-CG2 3.7Å; F85-V89 HydrophobicContact CE2-CG2 4.12Å; F85-V89 HydrophobicContact CZ-CG2 3.69Å; F85-V89 WeakPolarHBondContact O-CG2 3.31Å; F85-V89 PolarHBondContact O-N 2.65Å; L86-V89 PolarHBondContact O-N 3.24Å; V89-L91 PolarHBondContact O-N 3.46Å; V89-V92 PolarHBondContact O-N 3.43Å; V89-I93 HydrophobicContact CG1-CD1 3.67Å; V89-I93 HydrophobicContact CG1-CG1 4.46Å; V89-I93 VanDerWaalsContact O-CG1 3.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.37Å; V89-I93 PolarHBondContact O-N 2.93Å; V89-F324 HydrophobicContact CG1-CD2 3.88Å; V89-F324 HydrophobicContact CG1-CE2 3.99Å; V89-F324 HydrophobicContact CG2-CD2 3.82Å; V89-F324 HydrophobicContact CG2-CE2 3.99Å; V89-F324 HydrophobicContact CG2-CG 4.42Å; V89-I359 HydrophobicContact CG1-CD1 4.31Å
90	F	85.2	Confident	86	Confident	14 Å²	14	43.1 Å²	43.1	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-37.7	177.6	-64.4	-45.7	0	0	0	113.6	L86 N87 L88 I93 A94 L114 I359 L361	L86-F90 HydrophobicContact CD1-CD2 4.32Å; L86-F90 HydrophobicContact CD1-CE2 3.4Å; L86-F90 VanDerWaalsContact CD1-CE2 3.4Å; L86-F90 HydrophobicContact CD1-CZ 3.65Å; L86-F90 HydrophobicContact CD2-CE2 4.25Å; L86-F90 HydrophobicContact CG-CD2 4.12Å; L86-F90 HydrophobicContact CG-CE2 3.51Å; L86-F90 HydrophobicContact CG-CZ 4.28Å; L86-F90 WeakPolarHBondContact O-CD2 3.34Å; L86-F90 WeakPolarHBondContact O-CG 3.47Å; L86-F90 PolarHBondContact O-N 3.49Å; N87-F90 PolarHBondContact O-N 2.99Å; L88-F90 VanDerWaalsContact C-N 3.3Å; L88-F90 PolarHBondContact O-N 3.42Å; F90-I93 PolarHBondContact O-N 3.09Å; F90-A94 WeakPolarHBondContact O-CB 3.26Å; F90-A94 PolarHBondContact O-N 2.96Å; F90-L114 HydrophobicContact CB-CD1 4.11Å; F90-I359 HydrophobicContact CE1-CB 4.46Å; F90-I359 HydrophobicContact CE1-CG2 4.1Å; F90-I359 VanDerWaalsContact CE1-O 3.24Å; F90-I359 WeakPolarHBondContact CE1-O 3.29Å; F90-I359 HydrophobicContact CZ-CB 4.48Å; F90-I359 HydrophobicContact CZ-CG2 3.73Å; F90-I359 VanDerWaalsContact CZ-O 3.28Å; F90-I359 WeakPolarHBondContact CZ-O 3.08Å; F90-L361 HydrophobicContact CB-CD1 4.12Å; F90-L361 HydrophobicContact CD1-CD1 3.97Å; F90-L361 HydrophobicContact CD2-CD1 3.28Å; F90-L361 HydrophobicContact CE1-CB 4.05Å; F90-L361 HydrophobicContact CE1-CD1 4.17Å; F90-L361 HydrophobicContact CE2-CB 4.26Å; F90-L361 HydrophobicContact CE2-CD1 3.48Å; F90-L361 VanDerWaalsContact CE2-CD1 3.48Å; F90-L361 HydrophobicContact CE2-CG 4.46Å; F90-L361 HydrophobicContact CG-CD1 3.55Å; F90-L361 HydrophobicContact CZ-CB 3.91Å; F90-L361 HydrophobicContact CZ-CD1 3.95Å
91	L	88.9	Confident	86.1	Confident	45 Å²	45	45.3 Å²	45.3	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-46.4	173.6	-177	65.1	0	0	0	110.9	F82 N87 L88 V89 I93 A94 C95 W111 L114	F82-L91 HydrophobicContact CD1-CB 4.07Å; F82-L91 HydrophobicContact CD1-CD2 3.84Å; F82-L91 HydrophobicContact CD1-CG 4.47Å; F82-L91 HydrophobicContact CD2-CD2 4.46Å; F82-L91 HydrophobicContact CE1-CB 3.73Å; F82-L91 HydrophobicContact CE1-CD1 4.05Å; F82-L91 HydrophobicContact CE1-CD2 3.78Å; F82-L91 HydrophobicContact CE1-CG 4.06Å; F82-L91 HydrophobicContact CE2-CD2 4.39Å; F82-L91 HydrophobicContact CG-CD2 4.2Å; F82-L91 HydrophobicContact CZ-CD1 4.01Å; F82-L91 HydrophobicContact CZ-CD2 4.06Å; F82-L91 HydrophobicContact CZ-CG 4.43Å; N87-L91 PolarHBondContact O-N 3.13Å; L88-L91 PolarHBondContact O-N 3.06Å; V89-L91 PolarHBondContact O-N 3.46Å; L91-I93 PolarHBondContact O-N 3.11Å; L91-A94 PolarHBondContact O-N 3Å; L91-C95 VanDerWaalsContact O-CB 3.32Å; L91-C95 WeakPolarHBondContact O-CB 3.45Å; L91-C95 PolarHBondContact O-N 2.66Å; L91-C95 PolarHBondContact O-SG 2.92Å; L91-W111 HydrophobicContact CD1-CH2 4.3Å; L91-L114 HydrophobicContact CD1-CD2 4.43Å
92	V	90.4	Very high	86.3	Confident	72 Å²	72	45.5 Å²	45.5	44%	0.436	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-44.9	178.3	172.2	0	0	0	0	111.1	L88 V89 S96 W349	L88-V92 WeakPolarHBondContact O-CG2 3.45Å; L88-V92 PolarHBondContact O-N 2.91Å; V89-V92 PolarHBondContact O-N 3.43Å; V92-S96 WeakPolarHBondContact O-CB 3.2Å; V92-S96 PolarHBondContact O-N 2.91Å; V92-W349 HydrophobicContact CG1-CH2 3.94Å; V92-W349 HydrophobicContact CG1-CZ2 4.35Å
93	I	89.6	Confident	86.3	Confident	9 Å²	9	44.5 Å²	44.5	5%	0.046	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-46.2	178.3	-66.8	166.9	0	0	0	110.6	V89 F90 L91 S96 Q97 Y110	V89-I93 HydrophobicContact CG1-CD1 3.67Å; V89-I93 HydrophobicContact CG1-CG1 4.46Å; V89-I93 VanDerWaalsContact O-CG1 3.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.37Å; V89-I93 PolarHBondContact O-N 2.93Å; F90-I93 PolarHBondContact O-N 3.09Å; L91-I93 PolarHBondContact O-N 3.11Å; I93-S96 PolarHBondContact O-N 2.67Å; I93-S96 PolarHBondContact O-OG 3.13Å; I93-Q97 WeakPolarHBondContact O-CG 3.35Å; I93-Q97 PolarHBondContact O-N 3.43Å; I93-Q97 PolarHBondContact O-NE2 3.23Å; I93-Y110 HydrophobicContact CG2-CD1 3.89Å; I93-Y110 HydrophobicContact CG2-CE1 4.07Å
94	A	88.6	Confident	86.4	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-41.7	179.4	0	0	0	0	0	112.4	F90 L91 S96 Q97 W111 L114	F90-A94 WeakPolarHBondContact O-CB 3.26Å; F90-A94 PolarHBondContact O-N 2.96Å; L91-A94 PolarHBondContact O-N 3Å; A94-S96 VanDerWaalsContact C-N 3.32Å; A94-S96 PolarHBondContact O-N 3.3Å; A94-Q97 PolarHBondContact O-N 3.35Å; A94-W111 HydrophobicContact CB-CD2 4.32Å; A94-W111 HydrophobicContact CB-CG 4.45Å; A94-W111 HydrophobicContact CB-CZ2 4.26Å; A94-W111 PolarHBondContact O-NE1 3.42Å; A94-W111 VanDerWaalsContact O-NE1 3.1Å; A94-L114 HydrophobicContact CB-CD2 3.97Å
95	C	91	Very high	86.4	Confident	57 Å²	57	42.6 Å²	42.6	39%	0.385	24%	0.24	S	C	.	.	H	α-helix	trans	-63.8	-37.5	174.9	-73.7	0	0	0	0	111.9	L91 Q97 F98	L91-C95 VanDerWaalsContact O-CB 3.32Å; L91-C95 WeakPolarHBondContact O-CB 3.45Å; L91-C95 PolarHBondContact O-N 2.66Å; L91-C95 PolarHBondContact O-SG 2.92Å; C95-Q97 PolarHBondContact O-N 2.85Å; C95-F98 WeakPolarHBondContact O-CB 3.27Å; C95-F98 WeakPolarHBondContact O-CD2 3.42Å; C95-F98 PolarHBondContact O-N 2.87Å; C95-F98 VanDerWaalsContact O-N 3.14Å
96	S	90.1	Very high	86.4	Confident	9 Å²	9	47.1 Å²	47.1	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-22.4	179	77.4	0	0	0	0	114	V92 I93 A94 F98 I99 W349	V92-S96 WeakPolarHBondContact O-CB 3.2Å; V92-S96 PolarHBondContact O-N 2.91Å; I93-S96 PolarHBondContact O-N 2.67Å; I93-S96 PolarHBondContact O-OG 3.13Å; A94-S96 VanDerWaalsContact C-N 3.32Å; A94-S96 PolarHBondContact O-N 3.3Å; S96-F98 PolarHBondContact O-N 3.3Å; S96-I99 PolarHBondContact O-N 2.98Å; S96-W349 VanDerWaalsContact CB-CZ2 3.43Å; S96-W349 PolarHBondContact OG-NE1 3.31Å
97	Q	88.2	Confident	86.6	Confident	9 Å²	9	50.6 Å²	50.6	4%	0.042	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-13.6	178.2	-55.3	-53.2	-69.5	0	0	113.3	I93 A94 C95 I99 L107 Y110 V353	I93-Q97 WeakPolarHBondContact O-CG 3.35Å; I93-Q97 PolarHBondContact O-N 3.43Å; I93-Q97 PolarHBondContact O-NE2 3.23Å; A94-Q97 PolarHBondContact O-N 3.35Å; C95-Q97 PolarHBondContact O-N 2.85Å; Q97-I99 PolarHBondContact O-N 3.2Å; Q97-L107 HydrophobicContact CB-CD2 3.75Å; Q97-L107 VanDerWaalsContact O-CD2 3.3Å; Q97-L107 WeakPolarHBondContact O-CD2 3.43Å; Q97-Y110 HydrophobicContact CB-CD2 4.46Å; Q97-Y110 HydrophobicContact CG-CD1 4.41Å; Q97-Y110 HydrophobicContact CG-CD2 3.52Å; Q97-Y110 HydrophobicContact CG-CE2 3.73Å; Q97-Y110 HydrophobicContact CG-CG 3.86Å; Q97-V353 VanDerWaalsContact NE2-CG2 3.32Å
98	F	89.7	Confident	86.7	Confident	128 Å²	128	55.4 Å²	55.4	56%	0.561	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.7	171	-74.5	-66.1	0	0	0	112.9	C95 S96 P100 L107 W111	C95-F98 WeakPolarHBondContact O-CB 3.27Å; C95-F98 WeakPolarHBondContact O-CD2 3.42Å; C95-F98 PolarHBondContact O-N 2.87Å; C95-F98 VanDerWaalsContact O-N 3.14Å; S96-F98 PolarHBondContact O-N 3.3Å; F98-P100 VanDerWaalsContact O-CD 3.28Å; F98-P100 WeakPolarHBondContact O-CD 3.23Å; F98-L107 HydrophobicContact CD1-CD1 4.5Å; F98-L107 HydrophobicContact CD1-CD2 4.24Å; F98-L107 HydrophobicContact CE1-CD1 4.39Å; F98-L107 HydrophobicContact CE1-CD2 4.47Å; F98-W111 AromaticContact CE2-CE2 3.67Å; F98-W111 AromaticContact CE2-CZ2 3.57Å; F98-W111 HydrophobicContact CE2-CZ2 3.57Å; F98-W111 AromaticContact CE2-NE1 3.46Å; F98-W111 AromaticContact CZ-CE2 4Å; F98-W111 HydrophobicContact CZ-CZ2 4.2Å; F98-W111 AromaticContact CZ-NE1 3.73Å
99	I	89.1	Confident	86.5	Confident	84 Å²	84	52 Å²	52	43%	0.431	28%	0.275	S	S	.	.	S	Bend	trans	-88.7	109.1	178.2	-59	170.4	0	0	0	107.8	S96 Q97 E101 L102 G103	S96-I99 PolarHBondContact O-N 2.98Å; Q97-I99 PolarHBondContact O-N 3.2Å; I99-E101 HydrophobicContact CG2-CB 4.3Å; I99-E101 PolarHBondContact O-N 3.36Å; I99-E101 VanDerWaalsContact O-N 3.12Å; I99-L102 HydrophobicContact CB-CB 4.25Å; I99-L102 HydrophobicContact CB-CD1 4.09Å; I99-L102 HydrophobicContact CB-CG 4.16Å; I99-L102 HydrophobicContact CD1-CD1 3.88Å; I99-L102 HydrophobicContact CG2-CB 4.32Å; I99-L102 HydrophobicContact CG2-CD1 4.06Å; I99-L102 HydrophobicContact CG2-CG 3.84Å; I99-L102 PolarHBondContact O-N 2.9Å; I99-G103 PolarHBondContact O-N 2.67Å
100	P	84.2	Confident	86.5	Confident	116 Å²	116	52.7 Å²	52.7	75%	0.753	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.7	-172.9	-24.7	35.6	0	0	0	113.6	F98 L102 G103	F98-P100 VanDerWaalsContact O-CD 3.28Å; F98-P100 WeakPolarHBondContact O-CD 3.23Å; P100-L102 VanDerWaalsContact C-N 3.26Å; P100-L102 PolarHBondContact O-N 2.89Å; P100-G103 PolarHBondContact O-N 2.98Å
101	E	84	Confident	86.6	Confident	102 Å²	102	56.3 Å²	56.3	48%	0.477	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30.2	177.5	-54.4	-166.6	141	0	0	113.1	I99 K346 R350	I99-E101 HydrophobicContact CG2-CB 4.3Å; I99-E101 PolarHBondContact O-N 3.36Å; I99-E101 VanDerWaalsContact O-N 3.12Å; E101-K346 IonicContact OE1-NZ 3.95Å; E101-K346 PolarHBondContact OE1-NZ 2.91Å; E101-K346 WeakPolarHBondContact OE2-CE 3.3Å; E101-K346 IonicContact OE2-NZ 2.64Å; E101-K346 PolarHBondContact OE2-NZ 3.22Å; E101-R350 PolarHBondContact O-NE 3.05Å; E101-R350 PolarHBondContact O-NH2 3.4Å
102	L	85.8	Confident	86.4	Confident	24 Å²	24	56 Å²	56	13%	0.126	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-17.2	-176.8	-59.9	-175.3	0	0	0	112.7	I99 P100 V104 K346 W349	I99-L102 HydrophobicContact CB-CB 4.25Å; I99-L102 HydrophobicContact CB-CD1 4.09Å; I99-L102 HydrophobicContact CB-CG 4.16Å; I99-L102 HydrophobicContact CD1-CD1 3.88Å; I99-L102 HydrophobicContact CG2-CB 4.32Å; I99-L102 HydrophobicContact CG2-CD1 4.06Å; I99-L102 HydrophobicContact CG2-CG 3.84Å; I99-L102 PolarHBondContact O-N 2.9Å; P100-L102 VanDerWaalsContact C-N 3.26Å; P100-L102 PolarHBondContact O-N 2.89Å; L102-V104 PolarHBondContact O-N 2.91Å; L102-K346 HydrophobicContact CD2-CB 4.45Å; L102-K346 HydrophobicContact CD2-CG 4.49Å; L102-W349 HydrophobicContact CD1-CG 4.18Å; L102-W349 HydrophobicContact CD2-CB 4Å; L102-W349 HydrophobicContact CD2-CG 4.1Å
103	G	82.4	Confident	85.9	Confident	26 Å²	26	53.8 Å²	53.8	27%	0.268	29%	0.285	S	S	.	.			trans	-64.9	127.3	-178.8	0	0	0	0	0	112.4	I99 P100	I99-G103 PolarHBondContact O-N 2.67Å; P100-G103 PolarHBondContact O-N 2.98Å
104	V	82.5	Confident	85.6	Confident	27 Å²	27	53.4 Å²	53.4	16%	0.164	28%	0.283	C	S	.	.			trans	-110.8	-26.6	174.3	-173.5	0	0	0	0	111.7	L102 R350 V353 L354 P893	L102-V104 PolarHBondContact O-N 2.91Å; V104-R350 HydrophobicContact CG2-CB 3.78Å; V104-R350 HydrophobicContact CG2-CG 3.77Å; V104-V353 HydrophobicContact CB-CG1 4.2Å; V104-V353 HydrophobicContact CG2-CB 4.3Å; V104-V353 HydrophobicContact CG2-CG1 4.16Å; V104-L354 HydrophobicContact CG1-CD1 4.31Å; V104-L354 HydrophobicContact CG1-CD2 3.55Å; V104-L354 HydrophobicContact CG1-CG 3.82Å; V104-L354 HydrophobicContact CG2-CG 4.45Å; V104-P893 HydrophobicContact CG1-CG 4.3Å
105	G	79.8	Confident	85.4	Confident	23 Å²	23	55 Å²	55	24%	0.237	30%	0.3	C	S	.	.	S	Bend	trans	-130.1	178	-178.6	0	0	0	0	0	112.5
106	R	85.2	Confident	85.1	Confident	147 Å²	147	58 Å²	58	56%	0.555	31%	0.307	S	S	*	.			trans	-73.6	144.6	176.5	-61.9	-176	179.5	-176.7	3.4	110.5	Y108 T109	R106-Y108 HydrophobicContact CB-CD1 3.69Å; R106-Y108 HydrophobicContact CB-CE1 3.53Å; R106-Y108 HydrophobicContact CG-CE1 4.05Å; R106-Y108 PolarHBondContact O-N 3.35Å; R106-Y108 VanDerWaalsContact O-N 3.1Å; R106-T109 PolarHBondContact O-N 3.48Å; R106-T109 VanDerWaalsContact O-N 3.08Å; R106-T109 PolarHBondContact O-OG1 2.95Å
107	L	86.6	Confident	84.6	Confident	80 Å²	80	57.8 Å²	57.8	42%	0.419	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-38.3	-177.1	-67.2	172.3	0	0	0	113.7	Q97 F98 T109 Y110 W111	Q97-L107 HydrophobicContact CB-CD2 3.75Å; Q97-L107 VanDerWaalsContact O-CD2 3.3Å; Q97-L107 WeakPolarHBondContact O-CD2 3.43Å; F98-L107 HydrophobicContact CD1-CD1 4.5Å; F98-L107 HydrophobicContact CD1-CD2 4.24Å; F98-L107 HydrophobicContact CE1-CD1 4.39Å; F98-L107 HydrophobicContact CE1-CD2 4.47Å; L107-T109 PolarHBondContact O-N 2.85Å; L107-Y110 PolarHBondContact O-N 2.87Å; L107-W111 PolarHBondContact O-N 3.32Å; L107-W111 VanDerWaalsContact O-N 3.1Å
108	Y	86.2	Confident	84.4	Confident	104 Å²	104	58.4 Å²	58.4	41%	0.408	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-22.6	-176.9	74	-103.3	0	0	0	113.8	R106 Y110 G112	R106-Y108 HydrophobicContact CB-CD1 3.69Å; R106-Y108 HydrophobicContact CB-CE1 3.53Å; R106-Y108 HydrophobicContact CG-CE1 4.05Å; R106-Y108 PolarHBondContact O-N 3.35Å; R106-Y108 VanDerWaalsContact O-N 3.1Å; Y108-Y110 VanDerWaalsContact C-N 3.26Å; Y108-Y110 PolarHBondContact O-N 2.83Å; Y108-G112 VanDerWaalsContact O-CA 3.29Å; Y108-G112 WeakPolarHBondContact O-CA 3.4Å; Y108-G112 PolarHBondContact O-N 2.94Å
109	T	83.4	Confident	84.2	Confident	8 Å²	8	54 Å²	54	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-74	-20.5	-178.7	56.9	0	0	0	0	113.7	R106 L107 P113 V901	R106-T109 PolarHBondContact O-N 3.48Å; R106-T109 VanDerWaalsContact O-N 3.08Å; R106-T109 PolarHBondContact O-OG1 2.95Å; L107-T109 PolarHBondContact O-N 2.85Å; T109-P113 WeakPolarHBondContact O-CD 3.27Å; T109-P113 WeakPolarHBondContact O-CG 3.34Å; T109-V901 HydrophobicContact CG2-CG2 3.58Å
110	Y	84.9	Confident	83.9	Confident	21 Å²	21	51.5 Å²	51.5	8%	0.082	28%	0.284	C	S	.	.	H	α-helix	trans	-103.4	-48.2	179	-55.1	-87.9	0	0	0	110.3	I93 Q97 L107 Y108 L114 V353	I93-Y110 HydrophobicContact CG2-CD1 3.89Å; I93-Y110 HydrophobicContact CG2-CE1 4.07Å; Q97-Y110 HydrophobicContact CB-CD2 4.46Å; Q97-Y110 HydrophobicContact CG-CD1 4.41Å; Q97-Y110 HydrophobicContact CG-CD2 3.52Å; Q97-Y110 HydrophobicContact CG-CE2 3.73Å; Q97-Y110 HydrophobicContact CG-CG 3.86Å; L107-Y110 PolarHBondContact O-N 2.87Å; Y108-Y110 VanDerWaalsContact C-N 3.26Å; Y108-Y110 PolarHBondContact O-N 2.83Å; Y110-L114 VanDerWaalsContact O-CB 3.26Å; Y110-L114 WeakPolarHBondContact O-CB 3.38Å; Y110-L114 PolarHBondContact O-N 3.44Å; Y110-V353 HydrophobicContact CE1-CG1 4.04Å; Y110-V353 WeakPolarHBondContact OH-CG1 3.46Å
111	W	87.5	Confident	83.6	Confident	90 Å²	90	46.3 Å²	46.3	34%	0.341	25%	0.25	S	C	.	.	H	α-helix	trans	-73	-34.8	-179.9	-80.9	96	0	0	0	113.7	L91 A94 F98 L107 L114 G115	L91-W111 HydrophobicContact CD1-CH2 4.3Å; A94-W111 HydrophobicContact CB-CD2 4.32Å; A94-W111 HydrophobicContact CB-CG 4.45Å; A94-W111 HydrophobicContact CB-CZ2 4.26Å; A94-W111 PolarHBondContact O-NE1 3.42Å; A94-W111 VanDerWaalsContact O-NE1 3.1Å; F98-W111 AromaticContact CE2-CE2 3.67Å; F98-W111 AromaticContact CE2-CZ2 3.57Å; F98-W111 HydrophobicContact CE2-CZ2 3.57Å; F98-W111 AromaticContact CE2-NE1 3.46Å; F98-W111 AromaticContact CZ-CE2 4Å; F98-W111 HydrophobicContact CZ-CZ2 4.2Å; F98-W111 AromaticContact CZ-NE1 3.73Å; L107-W111 PolarHBondContact O-N 3.32Å; L107-W111 VanDerWaalsContact O-N 3.1Å; W111-L114 HydrophobicContact CE3-CD2 4.5Å; W111-G115 PolarHBondContact O-N 2.85Å
112	G	84.4	Confident	83.7	Confident	40 Å²	40	43.8 Å²	43.8	41%	0.412	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-58.7	-179.4	0	0	0	0	0	112.2	Y108 L114 G115 F116	Y108-G112 VanDerWaalsContact O-CA 3.29Å; Y108-G112 WeakPolarHBondContact O-CA 3.4Å; Y108-G112 PolarHBondContact O-N 2.94Å; G112-L114 PolarHBondContact O-N 3.47Å; G112-G115 PolarHBondContact O-N 3.24Å; G112-F116 PolarHBondContact O-N 3.45Å
113	P	79.6	Confident	83.8	Confident	24 Å²	24	48 Å²	48	16%	0.156	26%	0.26	C	S	.	.	H	α-helix	trans	-69.8	-33.9	179.9	-9.5	22.1	0	0	0	112.5	T109 F116 V117 L361	T109-P113 WeakPolarHBondContact O-CD 3.27Å; T109-P113 WeakPolarHBondContact O-CG 3.34Å; P113-F116 WeakPolarHBondContact O-CB 3.24Å; P113-F116 PolarHBondContact O-N 3.17Å; P113-V117 WeakPolarHBondContact O-CG2 3.3Å; P113-V117 PolarHBondContact O-N 2.92Å; P113-L361 HydrophobicContact CB-CD2 3.53Å; P113-L361 HydrophobicContact CB-CG 4Å; P113-L361 HydrophobicContact CG-CD2 3.97Å
114	L	83.8	Confident	83.7	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-47.5	173.5	179.2	63.6	0	0	0	111.5	F90 L91 A94 Y110 W111 G112 F116 V117 I118	F90-L114 HydrophobicContact CB-CD1 4.11Å; L91-L114 HydrophobicContact CD1-CD2 4.43Å; A94-L114 HydrophobicContact CB-CD2 3.97Å; Y110-L114 VanDerWaalsContact O-CB 3.26Å; Y110-L114 WeakPolarHBondContact O-CB 3.38Å; Y110-L114 PolarHBondContact O-N 3.44Å; W111-L114 HydrophobicContact CE3-CD2 4.5Å; G112-L114 PolarHBondContact O-N 3.47Å; L114-F116 VanDerWaalsContact C-N 3.3Å; L114-F116 PolarHBondContact O-N 3.43Å; L114-V117 PolarHBondContact O-N 3.46Å; L114-I118 HydrophobicContact CD1-CD1 3.96Å; L114-I118 HydrophobicContact CD1-CG1 4.39Å; L114-I118 HydrophobicContact CG-CD1 3.93Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.06Å
115	G	85.1	Confident	83.7	Confident	35 Å²	35	47 Å²	47	36%	0.361	25%	0.247	S	C	.	.	H	α-helix	trans	-60.4	-39.9	175.3	0	0	0	0	0	112.2	W111 G112 I118 A119	W111-G115 PolarHBondContact O-N 2.85Å; G112-G115 PolarHBondContact O-N 3.24Å; G115-I118 PolarHBondContact O-N 3.35Å; G115-A119 VanDerWaalsContact O-CB 3.26Å; G115-A119 WeakPolarHBondContact O-CB 3.21Å; G115-A119 PolarHBondContact O-N 3.12Å
116	F	84.2	Confident	84	Confident	120 Å²	120	47.2 Å²	47.2	53%	0.526	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-44.5	174.3	-177	-105.4	0	0	0	112.6	G112 P113 L114 I118 A119 V120 V365	G112-F116 PolarHBondContact O-N 3.45Å; P113-F116 WeakPolarHBondContact O-CB 3.24Å; P113-F116 PolarHBondContact O-N 3.17Å; L114-F116 VanDerWaalsContact C-N 3.3Å; L114-F116 PolarHBondContact O-N 3.43Å; F116-I118 VanDerWaalsContact C-N 3.34Å; F116-I118 PolarHBondContact O-N 3.46Å; F116-A119 PolarHBondContact O-N 3.31Å; F116-V120 HydrophobicContact CD1-CG2 4.37Å; F116-V120 HydrophobicContact CD2-CG2 4.41Å; F116-V120 HydrophobicContact CE1-CG2 3.98Å; F116-V120 HydrophobicContact CE2-CG2 4.02Å; F116-V120 HydrophobicContact CZ-CG2 3.79Å; F116-V120 WeakPolarHBondContact O-CG2 3.06Å; F116-V120 PolarHBondContact O-N 3.08Å; F116-V365 HydrophobicContact CD1-CG1 4.37Å; F116-V365 HydrophobicContact CD1-CG2 4.34Å; F116-V365 HydrophobicContact CE1-CG1 3.84Å
117	V	79	Confident	84	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-58.9	-48	176.3	-176.9	0	0	0	0	110.5	P113 L114 A119 V120 T121 L361 R364 V365	P113-V117 WeakPolarHBondContact O-CG2 3.3Å; P113-V117 PolarHBondContact O-N 2.92Å; L114-V117 PolarHBondContact O-N 3.46Å; V117-A119 VanDerWaalsContact C-N 3.34Å; V117-V120 PolarHBondContact O-N 3.22Å; V117-T121 WeakPolarHBondContact O-CG2 3.26Å; V117-T121 PolarHBondContact O-N 2.9Å; V117-T121 PolarHBondContact O-OG1 3.47Å; V117-L361 HydrophobicContact CG2-CD1 4.19Å; V117-R364 HydrophobicContact CG1-CB 4.02Å; V117-R364 HydrophobicContact CG1-CG 3.79Å; V117-V365 HydrophobicContact CB-CG2 3.85Å; V117-V365 HydrophobicContact CG1-CG2 3.99Å; V117-V365 HydrophobicContact CG2-CG2 3.25Å
118	I	84.3	Confident	83.5	Confident	22 Å²	22	41.9 Å²	41.9	11%	0.113	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-41.2	179.7	-66	169.9	0	0	0	110.1	L78 F82 L114 G115 F116 T121 M122	L78-I118 HydrophobicContact CD2-CG2 3.54Å; F82-I118 HydrophobicContact CE1-CD1 4.25Å; F82-I118 HydrophobicContact CE2-CD1 4.46Å; F82-I118 HydrophobicContact CZ-CD1 3.65Å; L114-I118 HydrophobicContact CD1-CD1 3.96Å; L114-I118 HydrophobicContact CD1-CG1 4.39Å; L114-I118 HydrophobicContact CG-CD1 3.93Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.39Å; L114-I118 PolarHBondContact O-N 3.06Å; G115-I118 PolarHBondContact O-N 3.35Å; F116-I118 VanDerWaalsContact C-N 3.34Å; F116-I118 PolarHBondContact O-N 3.46Å; I118-T121 WeakPolarHBondContact CA-OG1 3.24Å; I118-T121 PolarHBondContact O-N 2.9Å; I118-T121 PolarHBondContact O-OG1 3.04Å; I118-M122 HydrophobicContact CG2-CE 3.71Å; I118-M122 HydrophobicContact CG2-CG 4.2Å; I118-M122 HydrophobicContact CG2-SD 3.89Å; I118-M122 VanDerWaalsContact O-CB 3.3Å; I118-M122 WeakPolarHBondContact O-CB 3.44Å; I118-M122 WeakPolarHBondContact O-CG 3.45Å; I118-M122 PolarHBondContact O-N 3.27Å
119	A	86.3	Confident	83.3	Confident	36 Å²	36	37.5 Å²	37.5	30%	0.298	22%	0.215	S	C	.	.	H	α-helix	trans	-61.6	-48.5	176.9	0	0	0	0	0	112.4	G115 F116 V117 T121 M122 I123	G115-A119 VanDerWaalsContact O-CB 3.26Å; G115-A119 WeakPolarHBondContact O-CB 3.21Å; G115-A119 PolarHBondContact O-N 3.12Å; F116-A119 PolarHBondContact O-N 3.31Å; V117-A119 VanDerWaalsContact C-N 3.34Å; A119-T121 PolarHBondContact O-N 2.89Å; A119-M122 PolarHBondContact O-N 3.38Å; A119-I123 WeakPolarHBondContact O-CB 3.28Å; A119-I123 VanDerWaalsContact O-CG1 3.22Å; A119-I123 WeakPolarHBondContact O-CG1 3.45Å; A119-I123 PolarHBondContact O-N 3.34Å
120	V	82.8	Confident	83.3	Confident	32 Å²	32	42.1 Å²	42.1	19%	0.194	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-44	179.3	172.5	0	0	0	0	111.2	F116 V117 I123 R124	F116-V120 HydrophobicContact CD1-CG2 4.37Å; F116-V120 HydrophobicContact CD2-CG2 4.41Å; F116-V120 HydrophobicContact CE1-CG2 3.98Å; F116-V120 HydrophobicContact CE2-CG2 4.02Å; F116-V120 HydrophobicContact CZ-CG2 3.79Å; F116-V120 WeakPolarHBondContact O-CG2 3.06Å; F116-V120 PolarHBondContact O-N 3.08Å; V117-V120 PolarHBondContact O-N 3.22Å; V120-I123 PolarHBondContact O-N 3.43Å; V120-R124 VanDerWaalsContact O-CB 3.32Å; V120-R124 WeakPolarHBondContact O-CB 3.47Å; V120-R124 PolarHBondContact O-N 3.47Å
121	T	78.7	Confident	83	Confident	6 Å²	6	42.7 Å²	42.7	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-66.1	-39.6	178.1	51.6	0	0	0	0	112.5	V117 I118 A119 E125 D368	V117-T121 WeakPolarHBondContact O-CG2 3.26Å; V117-T121 PolarHBondContact O-N 2.9Å; V117-T121 PolarHBondContact O-OG1 3.47Å; I118-T121 WeakPolarHBondContact CA-OG1 3.24Å; I118-T121 PolarHBondContact O-N 2.9Å; I118-T121 PolarHBondContact O-OG1 3.04Å; A119-T121 PolarHBondContact O-N 2.89Å; T121-E125 PolarHBondContact O-N 3Å; T121-D368 WeakPolarHBondContact CG2-OD2 3.21Å
122	M	85.2	Confident	82.5	Confident	49 Å²	49	40.2 Å²	40.2	24%	0.241	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-45.6	174.8	-73.6	-172.8	-50.4	0	0	112.1	F73 V77 L78 I118 A119 R124 E125 A126	F73-M122 WeakPolarHBondContact CZ-O 3.3Å; V77-M122 HydrophobicContact CG1-CG 3.95Å; L78-M122 HydrophobicContact CD2-SD 4.26Å; I118-M122 HydrophobicContact CG2-CE 3.71Å; I118-M122 HydrophobicContact CG2-CG 4.2Å; I118-M122 HydrophobicContact CG2-SD 3.89Å; I118-M122 VanDerWaalsContact O-CB 3.3Å; I118-M122 WeakPolarHBondContact O-CB 3.44Å; I118-M122 WeakPolarHBondContact O-CG 3.45Å; I118-M122 PolarHBondContact O-N 3.27Å; A119-M122 PolarHBondContact O-N 3.38Å; M122-R124 VanDerWaalsContact C-N 3.27Å; M122-R124 PolarHBondContact O-N 3.12Å; M122-E125 PolarHBondContact O-N 2.89Å; M122-A126 VanDerWaalsContact O-CB 3.3Å; M122-A126 WeakPolarHBondContact O-CB 3.38Å; M122-A126 PolarHBondContact O-N 3.19Å
123	I	87.1	Confident	82.4	Confident	113 Å²	113	43.2 Å²	43.2	58%	0.579	24%	0.24	S	C	*	.	H	α-helix	trans	-58.4	-44.6	177.4	-70.8	164.8	0	0	0	109.9	A119 V120 A126 V127	A119-I123 WeakPolarHBondContact O-CB 3.28Å; A119-I123 VanDerWaalsContact O-CG1 3.22Å; A119-I123 WeakPolarHBondContact O-CG1 3.45Å; A119-I123 PolarHBondContact O-N 3.34Å; V120-I123 PolarHBondContact O-N 3.43Å; I123-A126 WeakPolarHBondContact O-CB 3.22Å; I123-A126 PolarHBondContact O-N 2.99Å; I123-V127 WeakPolarHBondContact O-CG2 3.27Å; I123-V127 PolarHBondContact O-N 2.97Å
124	R	81.5	Confident	82.6	Confident	16 Å²	16	44.8 Å²	44.8	6%	0.06	25%	0.252	C	S	.	.	H	α-helix	trans	-61.3	-51.4	177.8	-179.5	-170.2	178.5	176.2	9.5	112.9	V120 M122 A126 V127 D128 D368 T392 N393	V120-R124 VanDerWaalsContact O-CB 3.32Å; V120-R124 WeakPolarHBondContact O-CB 3.47Å; V120-R124 PolarHBondContact O-N 3.47Å; M122-R124 VanDerWaalsContact C-N 3.27Å; M122-R124 PolarHBondContact O-N 3.12Å; R124-A126 PolarHBondContact O-N 3.48Å; R124-V127 PolarHBondContact O-N 3.38Å; R124-D128 PolarHBondContact O-N 2.97Å; R124-D128 VanDerWaalsContact O-N 3.08Å; R124-D368 IonicContact NH1-OD1 2.75Å; R124-D368 PolarHBondContact NH1-OD1 2.99Å; R124-T392 PolarHBondContact NE-OG1 3Å; R124-T392 PolarHBondContact NH2-O 2.71Å; R124-T392 PolarHBondContact NH2-OG1 3.39Å; R124-N393 PolarHBondContact NE-OD1 3.33Å; R124-N393 PolarHBondContact NH1-OD1 2.98Å; R124-N393 VanDerWaalsContact NH2-CA 3.3Å; R124-N393 PolarHBondContact NH2-OD1 3.49Å; R124-N393 VanDerWaalsContact NH2-OD1 3.1Å
125	E	82.9	Confident	82.1	Confident	17 Å²	17	47.5 Å²	47.5	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-64.1	-32.6	178.8	-166.9	72.1	-157	0	0	111	K67 Y68 F73 V77 T121 M122 D128 D129	K67-E125 IonicContact NZ-OE1 2.67Å; K67-E125 PolarHBondContact NZ-OE1 3.14Å; Y68-E125 HydrophobicContact CE2-CG 3.66Å; F73-E125 HydrophobicContact CE2-CB 4.34Å; F73-E125 HydrophobicContact CE2-CG 4.28Å; V77-E125 HydrophobicContact CG2-CG 4.17Å; T121-E125 PolarHBondContact O-N 3Å; M122-E125 PolarHBondContact O-N 2.89Å; E125-D128 PolarHBondContact O-N 2.89Å; E125-D129 WeakPolarHBondContact O-CB 3.44Å; E125-D129 PolarHBondContact O-N 2.91Å
126	A	85.8	Confident	81.8	Confident	26 Å²	26	46.5 Å²	46.5	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-45.4	173	0	0	0	0	0	111.7	F73 M122 I123 R124 D128 D129 I130	F73-A126 HydrophobicContact CE1-CB 4.19Å; F73-A126 HydrophobicContact CE2-CB 4.21Å; F73-A126 HydrophobicContact CZ-CB 3.6Å; M122-A126 VanDerWaalsContact O-CB 3.3Å; M122-A126 WeakPolarHBondContact O-CB 3.38Å; M122-A126 PolarHBondContact O-N 3.19Å; I123-A126 WeakPolarHBondContact O-CB 3.22Å; I123-A126 PolarHBondContact O-N 2.99Å; R124-A126 PolarHBondContact O-N 3.48Å; A126-D128 PolarHBondContact O-N 3.36Å; A126-D129 PolarHBondContact O-N 3.35Å; A126-I130 WeakPolarHBondContact O-CB 3.26Å; A126-I130 WeakPolarHBondContact O-CD1 3.42Å; A126-I130 WeakPolarHBondContact O-CG1 3.38Å; A126-I130 PolarHBondContact O-N 3.04Å
127	V	84	Confident	81.8	Confident	92 Å²	92	46.2 Å²	46.2	56%	0.558	24%	0.244	S	C	*	.	H	α-helix	trans	-59.4	-46.4	176.6	170.3	0	0	0	0	110.9	I123 R124 D129 I130 G131	I123-V127 WeakPolarHBondContact O-CG2 3.27Å; I123-V127 PolarHBondContact O-N 2.97Å; R124-V127 PolarHBondContact O-N 3.38Å; V127-D129 PolarHBondContact O-N 3.38Å; V127-I130 PolarHBondContact O-N 3.29Å; V127-G131 PolarHBondContact O-N 3.48Å
128	D	76.5	Confident	82	Confident	23 Å²	23	51.1 Å²	51.1	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-38.7	179.2	-75.9	-4.3	0	0	0	112.1	R124 E125 A126 R132	R124-D128 PolarHBondContact O-N 2.97Å; R124-D128 VanDerWaalsContact O-N 3.08Å; E125-D128 PolarHBondContact O-N 2.89Å; A126-D128 PolarHBondContact O-N 3.36Å; D128-R132 WeakPolarHBondContact O-CG 3.35Å; D128-R132 PolarHBondContact O-N 2.97Å
129	D	82	Confident	81.8	Confident	13 Å²	13	52.9 Å²	52.9	7%	0.07	28%	0.282	C	S	.	.	H	α-helix	trans	-78.6	-33.5	-179.9	-154.5	57.6	0	0	0	113	K67 Y68 E125 A126 V127 G131 R132 W133	K67-D129 PolarHBondContact N-OD1 3.23Å; Y68-D129 HydrophobicContact CD2-CB 4.44Å; E125-D129 WeakPolarHBondContact O-CB 3.44Å; E125-D129 PolarHBondContact O-N 2.91Å; A126-D129 PolarHBondContact O-N 3.35Å; V127-D129 PolarHBondContact O-N 3.38Å; D129-G131 VanDerWaalsContact C-N 3.29Å; D129-G131 PolarHBondContact O-N 3.31Å; D129-R132 WeakPolarHBondContact O-CB 3.29Å; D129-R132 PolarHBondContact O-N 2.87Å; D129-R132 VanDerWaalsContact O-N 3.13Å; D129-W133 PolarHBondContact O-N 2.91Å
130	I	83.7	Confident	81.8	Confident	105 Å²	105	51.8 Å²	51.8	54%	0.538	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-40.4	169.3	-69.6	163.9	0	0	0	110.1	A126 V127 R132 W133 S134	A126-I130 WeakPolarHBondContact O-CB 3.26Å; A126-I130 WeakPolarHBondContact O-CD1 3.42Å; A126-I130 WeakPolarHBondContact O-CG1 3.38Å; A126-I130 PolarHBondContact O-N 3.04Å; V127-I130 PolarHBondContact O-N 3.29Å; I130-R132 VanDerWaalsContact C-N 3.27Å; I130-R132 PolarHBondContact O-N 3.47Å; I130-W133 WeakPolarHBondContact O-CB 3.3Å; I130-W133 PolarHBondContact O-N 2.9Å; I130-S134 PolarHBondContact O-N 2.93Å
131	G	79.1	Confident	82	Confident	33 Å²	33	54.7 Å²	54.7	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-31.8	173.8	0	0	0	0	0	113.3	V127 D129 R135	V127-G131 PolarHBondContact O-N 3.48Å; D129-G131 VanDerWaalsContact C-N 3.29Å; D129-G131 PolarHBondContact O-N 3.31Å; G131-R135 WeakPolarHBondContact O-CG 3.27Å; G131-R135 PolarHBondContact O-NE 3.44Å
132	R	77.4	Confident	82.5	Confident	38 Å²	38	56.1 Å²	56.1	14%	0.143	30%	0.296	C	S	.	.	H	α-helix	trans	-69.6	-46.2	171.4	-67.3	166.9	-170.5	-129.5	-6.1	111.1	K67 D128 D129 I130 S134 R135 D136	K67-R132 VanDerWaalsContact CE-NH1 3.34Å; D128-R132 WeakPolarHBondContact O-CG 3.35Å; D128-R132 PolarHBondContact O-N 2.97Å; D129-R132 WeakPolarHBondContact O-CB 3.29Å; D129-R132 PolarHBondContact O-N 2.87Å; D129-R132 VanDerWaalsContact O-N 3.13Å; I130-R132 VanDerWaalsContact C-N 3.27Å; I130-R132 PolarHBondContact O-N 3.47Å; R132-S134 PolarHBondContact O-N 3.46Å; R132-R135 PolarHBondContact O-N 3.45Å; R132-D136 PolarHBondContact O-N 3.22Å; R132-D136 VanDerWaalsContact O-N 3.08Å
133	W	82.5	Confident	82.8	Confident	102 Å²	102	59.1 Å²	59.1	39%	0.386	31%	0.311	S	S	.	.	H	α-helix	trans	-57.4	-46.3	178.8	179.5	71.4	0	0	0	113.5	Q66 D129 I130 R135 D136 R137	Q66-W133 HydrophobicContact CG-CB 4.36Å; Q66-W133 VanDerWaalsContact NE2-CB 3.32Å; D129-W133 PolarHBondContact O-N 2.91Å; I130-W133 WeakPolarHBondContact O-CB 3.3Å; I130-W133 PolarHBondContact O-N 2.9Å; W133-R135 PolarHBondContact O-N 3.31Å; W133-D136 PolarHBondContact O-N 3.28Å; W133-R137 WeakPolarHBondContact O-CB 3.31Å; W133-R137 PolarHBondContact O-N 2.95Å
134	S	82.3	Confident	83	Confident	58 Å²	58	54.6 Å²	54.6	41%	0.406	29%	0.287	S	S	.	.	H	α-helix	trans	-58.2	-36.3	179.8	-169.8	0	0	0	0	111.8	I130 R132 R137 D138	I130-S134 PolarHBondContact O-N 2.93Å; R132-S134 PolarHBondContact O-N 3.46Å; S134-R137 WeakPolarHBondContact O-CB 3.41Å; S134-R137 PolarHBondContact O-N 3.02Å; S134-D138 PolarHBondContact O-N 3.2Å
135	R	73.3	Confident	83.5	Confident	59 Å²	59	54.4 Å²	54.4	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-75.3	-42.7	-179.6	-67.3	177.6	-76.9	159.3	-8.5	112.5	G131 R132 W133 R137 D138 V139 L835	G131-R135 WeakPolarHBondContact O-CG 3.27Å; G131-R135 PolarHBondContact O-NE 3.44Å; R132-R135 PolarHBondContact O-N 3.45Å; W133-R135 PolarHBondContact O-N 3.31Å; R135-R137 PolarHBondContact O-N 2.93Å; R135-D138 PolarHBondContact O-N 2.88Å; R135-V139 PolarHBondContact O-N 3.24Å; R135-L835 HydrophobicContact CG-CD2 4.11Å; R135-L835 PolarHBondContact NH1-O 3.05Å
136	D	79.6	Confident	83.8	Confident	13 Å²	13	55.4 Å²	55.4	7%	0.07	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-35.5	174	-69.2	-21	0	0	0	110.1	N65 R132 W133 V139 N140	N65-D136 PolarHBondContact N-OD2 3.46Å; N65-D136 PolarHBondContact ND2-OD1 2.78Å; R132-D136 PolarHBondContact O-N 3.22Å; R132-D136 VanDerWaalsContact O-N 3.08Å; W133-D136 PolarHBondContact O-N 3.28Å; D136-V139 PolarHBondContact O-N 3.46Å; D136-N140 VanDerWaalsContact O-CB 3.25Å; D136-N140 WeakPolarHBondContact O-CB 3.36Å; D136-N140 PolarHBondContact O-N 2.91Å; D136-N140 PolarHBondContact O-ND2 3.21Å
137	R	84.8	Confident	83.8	Confident	115 Å²	115	54.9 Å²	54.9	43%	0.434	29%	0.287	S	S	.	.	H	α-helix	trans	-61	-46.7	174.5	-179.8	179.3	174.2	171.6	0.8	111.9	W133 S134 R135 V139 N140 M141	W133-R137 WeakPolarHBondContact O-CB 3.31Å; W133-R137 PolarHBondContact O-N 2.95Å; S134-R137 WeakPolarHBondContact O-CB 3.41Å; S134-R137 PolarHBondContact O-N 3.02Å; R135-R137 PolarHBondContact O-N 2.93Å; R137-V139 VanDerWaalsContact C-N 3.33Å; R137-V139 PolarHBondContact O-N 2.98Å; R137-N140 PolarHBondContact O-N 2.76Å; R137-M141 HydrophobicContact CG-CE 3.72Å; R137-M141 HydrophobicContact CG-CG 4.18Å; R137-M141 HydrophobicContact CG-SD 3.56Å; R137-M141 VanDerWaalsContact CG-SD 3.56Å; R137-M141 PolarHBondContact NE-SD 3Å; R137-M141 VanDerWaalsContact NE-SD 3.39Å; R137-M141 VanDerWaalsContact O-CB 3.31Å; R137-M141 WeakPolarHBondContact O-CB 3.31Å; R137-M141 VanDerWaalsContact O-CG 3.24Å; R137-M141 WeakPolarHBondContact O-CG 3.49Å; R137-M141 PolarHBondContact O-N 2.83Å
138	D	82.7	Confident	83.7	Confident	105 Å²	105	53.3 Å²	53.3	56%	0.561	28%	0.277	S	S	*	.	H	α-helix	trans	-60.2	-42.8	179.7	-62.4	-26.4	0	0	0	112	S134 R135 M141 A142	S134-D138 PolarHBondContact O-N 3.2Å; R135-D138 PolarHBondContact O-N 2.88Å; D138-M141 PolarHBondContact O-N 3.5Å; D138-A142 PolarHBondContact O-N 3.26Å
139	V	79.2	Confident	83.5	Confident	60 Å²	60	61.2 Å²	61.2	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-68.5	-41.7	177.5	-178.5	0	0	0	0	111.3	I63 R135 D136 R137 M141 A142 S157	I63-V139 HydrophobicContact CD1-CG1 3.73Å; R135-V139 PolarHBondContact O-N 3.24Å; D136-V139 PolarHBondContact O-N 3.46Å; R137-V139 VanDerWaalsContact C-N 3.33Å; R137-V139 PolarHBondContact O-N 2.98Å; V139-M141 VanDerWaalsContact C-N 3.28Å; V139-M141 PolarHBondContact O-N 3.17Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 3.15Å; V139-S157 WeakPolarHBondContact O-CB 3.31Å
140	N	86.7	Confident	83.1	Confident	13 Å²	13	66.6 Å²	66.6	7%	0.07	33%	0.334	C	S	.	.	H	α-helix	trans	-66.8	-30.2	178.5	-74.4	-44.6	0	0	0	112.7	R62 I63 D136 R137 A142 S157 S158	R62-N140 WeakPolarHBondContact CA-OD1 3.49Å; I63-N140 PolarHBondContact N-OD1 3.23Å; I63-N140 PolarHBondContact O-ND2 2.9Å; D136-N140 VanDerWaalsContact O-CB 3.25Å; D136-N140 WeakPolarHBondContact O-CB 3.36Å; D136-N140 PolarHBondContact O-N 2.91Å; D136-N140 PolarHBondContact O-ND2 3.21Å; R137-N140 PolarHBondContact O-N 2.76Å; N140-A142 VanDerWaalsContact C-N 3.34Å; N140-S157 PolarHBondContact O-N 3.27Å; N140-S158 PolarHBondContact O-N 3.02Å
141	M	88.2	Confident	83	Confident	93 Å²	93	69 Å²	69	46%	0.458	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.2	179.4	-72.4	-176.2	167.1	0	0	113.9	R137 D138 V139 I143	R137-M141 HydrophobicContact CG-CE 3.72Å; R137-M141 HydrophobicContact CG-CG 4.18Å; R137-M141 HydrophobicContact CG-SD 3.56Å; R137-M141 VanDerWaalsContact CG-SD 3.56Å; R137-M141 PolarHBondContact NE-SD 3Å; R137-M141 VanDerWaalsContact NE-SD 3.39Å; R137-M141 VanDerWaalsContact O-CB 3.31Å; R137-M141 WeakPolarHBondContact O-CB 3.31Å; R137-M141 VanDerWaalsContact O-CG 3.24Å; R137-M141 WeakPolarHBondContact O-CG 3.49Å; R137-M141 PolarHBondContact O-N 2.83Å; D138-M141 PolarHBondContact O-N 3.5Å; V139-M141 VanDerWaalsContact C-N 3.28Å; V139-M141 PolarHBondContact O-N 3.17Å; M141-I143 PolarHBondContact O-N 3.47Å
142	A	87.9	Confident	83.2	Confident	35 Å²	35	71.6 Å²	71.6	29%	0.289	34%	0.344	S	S	.	.			trans	-58.6	134.6	174.2	0	0	0	0	0	110.7	D138 V139 N140 Y144 M156 S157	D138-A142 PolarHBondContact O-N 3.26Å; V139-A142 WeakPolarHBondContact O-CB 3.42Å; V139-A142 PolarHBondContact O-N 3.15Å; N140-A142 VanDerWaalsContact C-N 3.34Å; A142-Y144 HydrophobicContact CB-CE2 3.92Å; A142-M156 CarbonylContact O-C 3.49Å; A142-M156 WeakPolarHBondContact O-CA 3.31Å; A142-S157 PolarHBondContact O-N 3.42Å
143	I	91.5	Very high	83.7	Confident	112 Å²	112	73 Å²	73	57%	0.574	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.6	-173.3	-59.2	173.4	0	0	0	109.8	M141 A154 Q172	M141-I143 PolarHBondContact O-N 3.47Å; I143-A154 HydrophobicContact CG2-CB 3.7Å; I143-Q172 PolarHBondContact O-NE2 2.95Å
144	Y	92.1	Very high	84.2	Confident	19 Å²	19	71.7 Å²	71.7	8%	0.075	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.4	176.7	-67.4	-87.3	0	0	0	110.8	A142 A154 V155 I160 I166 L168 Q172 R173 P175	A142-Y144 HydrophobicContact CB-CE2 3.92Å; Y144-A154 WeakPolarHBondContact O-CA 3.4Å; Y144-V155 PolarHBondContact N-O 3.26Å; Y144-V155 PolarHBondContact O-N 2.9Å; Y144-I160 HydrophobicContact CD2-CD1 3.91Å; Y144-I160 HydrophobicContact CG-CD1 4.19Å; Y144-I166 HydrophobicContact CD1-CG2 4.24Å; Y144-I166 HydrophobicContact CG-CG2 4.44Å; Y144-L168 HydrophobicContact CD1-CD2 4.11Å; Y144-L168 HydrophobicContact CE1-CD2 4.16Å; Y144-Q172 HydrophobicContact CD1-CG 4.37Å; Y144-Q172 HydrophobicContact CE1-CG 3.83Å; Y144-Q172 VanDerWaalsContact CE1-NE2 3.35Å; Y144-R173 WeakPolarHBondContact CE1-O 3.27Å; Y144-R173 PolarHBondContact OH-O 3.16Å; Y144-P175 HydrophobicContact CD1-CB 4.48Å; Y144-P175 HydrophobicContact CD1-CG 3.96Å; Y144-P175 HydrophobicContact CD2-CB 4.21Å; Y144-P175 HydrophobicContact CD2-CG 4.37Å; Y144-P175 HydrophobicContact CE1-CB 4.06Å; Y144-P175 HydrophobicContact CE1-CG 3.85Å; Y144-P175 HydrophobicContact CE2-CB 3.75Å; Y144-P175 HydrophobicContact CE2-CG 4.26Å; Y144-P175 HydrophobicContact CG-CG 4.23Å
145	G	91	Very high	84.6	Confident	11 Å²	11	70 Å²	70	11%	0.113	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.5	172	0	0	0	0	0	110.4	E152 I166 R167	G145-E152 WeakPolarHBondContact CA-OE1 3.46Å; G145-I166 CarbonylContact O-C 3.56Å; G145-I166 WeakPolarHBondContact O-CA 3.35Å; G145-R167 PolarHBondContact O-N 2.91Å
146	K	89.6	Confident	85.6	Confident	39 Å²	39	71.6 Å²	71.6	17%	0.17	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.7	173.1	178.1	-177.9	179.7	160.5	0	109.2	V148 E152 V153 V155 D164 L165 I166	K146-V148 HydrophobicContact CD-CG2 4.15Å; K146-V148 HydrophobicContact CG-CG2 4.12Å; K146-E152 CarbonylContact O-C 3.58Å; K146-E152 WeakPolarHBondContact O-CA 3.04Å; K146-V153 WeakPolarHBondContact CB-O 3.41Å; K146-V153 PolarHBondContact N-O 3.26Å; K146-V153 PolarHBondContact O-N 3.3Å; K146-V155 HydrophobicContact CB-CB 4.15Å; K146-V155 HydrophobicContact CB-CG2 3.61Å; K146-V155 HydrophobicContact CD-CG2 3.67Å; K146-V155 HydrophobicContact CG-CG2 4.29Å; K146-D164 VanDerWaalsContact CE-CG 3.41Å; K146-D164 WeakPolarHBondContact CE-OD1 3.49Å; K146-D164 IonicContact NZ-OD1 3.7Å; K146-D164 PolarHBondContact NZ-OD1 3.36Å; K146-D164 IonicContact NZ-OD2 2.68Å; K146-D164 PolarHBondContact NZ-OD2 2.91Å; K146-L165 WeakPolarHBondContact CA-O 3.33Å; K146-I166 HydrophobicContact CB-CD1 4.07Å; K146-I166 HydrophobicContact CG-CD1 4.3Å
147	Y	85.7	Confident	86	Confident	14 Å²	14	71.2 Å²	71.2	6%	0.055	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	131.8	170.6	-75.8	-77.1	0	0	0	109.9	E152 L165 R167 P222 W226 I286	Y147-E152 HydrophobicContact CD1-CB 4.43Å; Y147-E152 HydrophobicContact CE1-CB 4.31Å; Y147-L165 PolarHBondContact N-O 3.47Å; Y147-R167 HydrophobicContact CD2-CB 4.37Å; Y147-R167 HydrophobicContact CE2-CB 3.77Å; Y147-R167 HydrophobicContact CE2-CG 4.15Å; Y147-P222 HydrophobicContact CE1-CB 4.47Å; Y147-P222 HydrophobicContact CE1-CG 4.2Å; Y147-P222 WeakPolarHBondContact OH-CG 3.35Å; Y147-W226 VanDerWaalsContact C-NE1 3.32Å; Y147-W226 WeakPolarHBondContact O-CZ2 3.21Å; Y147-W226 PolarHBondContact O-NE1 3.34Å; Y147-I286 HydrophobicContact CD2-CD1 4.23Å; Y147-I286 HydrophobicContact CE2-CD1 3.57Å; Y147-I286 HydrophobicContact CE2-CG1 3.94Å
148	V	81.4	Confident	86.3	Confident	60 Å²	60	66.7 Å²	66.7	36%	0.364	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	107.6	173.9	-179.2	0	0	0	0	108.5	K146 N150 K151 V153	K146-V148 HydrophobicContact CD-CG2 4.15Å; K146-V148 HydrophobicContact CG-CG2 4.12Å; V148-N150 PolarHBondContact O-N 2.95Å; V148-K151 PolarHBondContact N-O 3.29Å; V148-K151 PolarHBondContact O-N 3.48Å; V148-V153 HydrophobicContact CB-CG2 4.3Å; V148-V153 HydrophobicContact CG2-CB 4.37Å; V148-V153 HydrophobicContact CG2-CG2 4.05Å
149	R	73.6	Confident	86.7	Confident	189 Å²	189	65.9 Å²	65.9	71%	0.713	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	-91.2	-174	-67.9	-175.1	178.9	-176.1	-1.7	112.4	W226	R149-W226 HydrophobicContact CG-CE3 4.39Å; R149-W226 VanDerWaalsContact N-CE2 3.3Å; R149-W226 VanDerWaalsContact O-CD1 3.25Å
150	N	73.6	Confident	87.2	Confident	125 Å²	125	63.1 Å²	63.1	67%	0.668	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	10.5	-177.4	-68	4.2	0	0	0	114.5	V148	V148-N150 PolarHBondContact O-N 2.95Å
151	K	81	Confident	87.4	Confident	156 Å²	156	69.1 Å²	69.1	68%	0.678	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.1	-179.3	-64.7	-173.4	179.6	-175.9	0	111.3	V148	V148-K151 PolarHBondContact N-O 3.29Å; V148-K151 PolarHBondContact O-N 3.48Å
152	E	83.3	Confident	87.5	Confident	88 Å²	88	65 Å²	65	41%	0.411	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.5	165.1	-168.3	176	167	0	0	108.6	G145 K146 Y147 R167	G145-E152 WeakPolarHBondContact CA-OE1 3.46Å; K146-E152 CarbonylContact O-C 3.58Å; K146-E152 WeakPolarHBondContact O-CA 3.04Å; Y147-E152 HydrophobicContact CD1-CB 4.43Å; Y147-E152 HydrophobicContact CE1-CB 4.31Å; E152-R167 WeakPolarHBondContact OE1-CD 3.47Å; E152-R167 IonicContact OE2-CZ 2.71Å; E152-R167 IonicContact OE2-NH1 3.49Å; E152-R167 PolarHBondContact OE2-NH1 3.44Å
153	V	89.2	Confident	87.5	Confident	66 Å²	66	63.3 Å²	63.3	40%	0.4	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.5	-179.9	-179	0	0	0	0	108.3	K146 V148 V155	K146-V153 WeakPolarHBondContact CB-O 3.41Å; K146-V153 PolarHBondContact N-O 3.26Å; K146-V153 PolarHBondContact O-N 3.3Å; V148-V153 HydrophobicContact CB-CG2 4.3Å; V148-V153 HydrophobicContact CG2-CB 4.37Å; V148-V153 HydrophobicContact CG2-CG2 4.05Å; V153-V155 HydrophobicContact CG1-CG2 4.37Å; V153-V155 PolarHBondContact O-N 3.11Å
154	A	91.2	Very high	87.4	Confident	76 Å²	76	58.4 Å²	58.4	63%	0.628	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.2	171.3	0	0	0	0	0	110.2	I143 Y144	I143-A154 HydrophobicContact CG2-CB 3.7Å; Y144-A154 WeakPolarHBondContact O-CA 3.4Å
155	V	92.2	Very high	87.3	Confident	22 Å²	22	57.6 Å²	57.6	13%	0.133	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.6	179.2	175.7	0	0	0	0	109.9	Y144 K146 V153 D159 I160	Y144-V155 PolarHBondContact N-O 3.26Å; Y144-V155 PolarHBondContact O-N 2.9Å; K146-V155 HydrophobicContact CB-CB 4.15Å; K146-V155 HydrophobicContact CB-CG2 3.61Å; K146-V155 HydrophobicContact CD-CG2 3.67Å; K146-V155 HydrophobicContact CG-CG2 4.29Å; V153-V155 HydrophobicContact CG1-CG2 4.37Å; V153-V155 PolarHBondContact O-N 3.11Å; V155-D159 HydrophobicContact CG1-CB 3.89Å; V155-I160 HydrophobicContact CG1-CG1 4.26Å
156	M	92.5	Very high	87.4	Confident	92 Å²	92	57 Å²	57	45%	0.453	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	147.2	175.8	-59.1	-175.9	-157.7	0	0	110.5	A142 S158 D159	A142-M156 CarbonylContact O-C 3.49Å; A142-M156 WeakPolarHBondContact O-CA 3.31Å; M156-S158 PolarHBondContact O-N 3.41Å; M156-S158 VanDerWaalsContact O-N 3.08Å; M156-D159 PolarHBondContact O-N 3.37Å
157	S	89.4	Confident	87.5	Confident	5 Å²	5	58.2 Å²	58.2	4%	0.035	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-53.2	-34.4	179.4	-165.8	0	0	0	0	113.2	N61 V139 N140 A142 D159	N61-S157 WeakPolarHBondContact CB-O 3.39Å; N61-S157 PolarHBondContact ND2-O 3.11Å; V139-S157 WeakPolarHBondContact O-CB 3.31Å; N140-S157 PolarHBondContact O-N 3.27Å; A142-S157 PolarHBondContact O-N 3.42Å; S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3.05Å
158	S	90	Very high	87.8	Confident	20 Å²	20	57.5 Å²	57.5	14%	0.14	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-67.9	-25.7	178.4	58.1	0	0	0	0	114.6	N140 M156	N140-S158 PolarHBondContact O-N 3.02Å; M156-S158 PolarHBondContact O-N 3.41Å; M156-S158 VanDerWaalsContact O-N 3.08Å
159	D	90.9	Very high	88.2	Confident	89 Å²	89	58 Å²	58	48%	0.476	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-97.8	-4.5	-170.6	-63.5	-14.1	0	0	0	112.6	V155 M156 S157 K161	V155-D159 HydrophobicContact CG1-CB 3.89Å; M156-D159 PolarHBondContact O-N 3.37Å; S157-D159 VanDerWaalsContact C-N 3.29Å; S157-D159 PolarHBondContact O-N 3.05Å; D159-K161 PolarHBondContact O-N 2.89Å
160	I	91.3	Very high	88.8	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	28%	0.276	C	S	.	.			trans	-63.1	130.8	174.1	-63.6	175.1	0	0	0	109.7	N61 Y144 V155 I166 P175 V289	N61-I160 HydrophobicContact CB-CB 4.44Å; N61-I160 WeakPolarHBondContact CB-O 3.33Å; Y144-I160 HydrophobicContact CD2-CD1 3.91Å; Y144-I160 HydrophobicContact CG-CD1 4.19Å; V155-I160 HydrophobicContact CG1-CG1 4.26Å; I160-I166 HydrophobicContact CD1-CD1 4.29Å; I160-I166 HydrophobicContact CG1-CD1 4.19Å; I160-I166 HydrophobicContact CG2-CD1 4.38Å; I160-I166 HydrophobicContact CG2-CG1 4.34Å; I160-P175 HydrophobicContact CD1-CB 3.63Å; I160-P175 HydrophobicContact CD1-CG 3.58Å; I160-V289 HydrophobicContact CG2-CG1 4.27Å; I160-V289 HydrophobicContact CG2-CG2 3.78Å
161	K	90.5	Very high	89.4	Confident	138 Å²	138	53.2 Å²	53.2	60%	0.6	27%	0.269	S	S	*	.			trans	-122.4	159.8	179.2	-65.3	178.1	-173.1	175.8	0	111.4	D159 G163 D164	D159-K161 PolarHBondContact O-N 2.89Å; K161-G163 PolarHBondContact O-N 2.92Å; K161-D164 PolarHBondContact N-OD2 3.42Å; K161-D164 VanDerWaalsContact O-CB 3.23Å; K161-D164 WeakPolarHBondContact O-CB 3.17Å; K161-D164 VanDerWaalsContact O-CG 3.27Å; K161-D164 PolarHBondContact O-N 3Å; K161-D164 VanDerWaalsContact O-N 3.14Å
162	V	89.2	Confident	89.7	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.036	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	133.5	171.8	179.2	0	0	0	0	109.8	V47 F58 V289 I290 T292	V47-V162 HydrophobicContact CG1-CG1 4.04Å; V47-V162 HydrophobicContact CG2-CG1 3.62Å; F58-V162 HydrophobicContact CB-CB 4.47Å; F58-V162 HydrophobicContact CB-CG2 3.84Å; F58-V162 HydrophobicContact CD1-CG2 4.36Å; F58-V162 HydrophobicContact CD2-CB 3.51Å; F58-V162 HydrophobicContact CD2-CG1 3.98Å; F58-V162 HydrophobicContact CD2-CG2 3.78Å; F58-V162 HydrophobicContact CE2-CB 3.82Å; F58-V162 HydrophobicContact CE2-CG1 3.77Å; F58-V162 HydrophobicContact CE2-CG2 4.4Å; F58-V162 HydrophobicContact CG-CB 4.01Å; F58-V162 HydrophobicContact CG-CG2 3.72Å; F58-V162 HydrophobicContact CZ-CG1 4.17Å; V162-V289 WeakPolarHBondContact CA-O 3.44Å; V162-I290 WeakPolarHBondContact CG1-O 3.48Å; V162-T292 HydrophobicContact CG2-CG2 3.94Å
163	G	88.1	Confident	90	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-7.4	-173.9	0	0	0	0	0	114.8	K161 V289	K161-G163 PolarHBondContact O-N 2.92Å; G163-V289 PolarHBondContact N-O 3.11Å
164	D	89.3	Confident	90.1	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.048	22%	0.221	C	C	.	.			trans	-73.3	140.8	175.4	-70.8	-15.3	0	0	0	111.4	K146 K161 I166 V289	K146-D164 VanDerWaalsContact CE-CG 3.41Å; K146-D164 WeakPolarHBondContact CE-OD1 3.49Å; K146-D164 IonicContact NZ-OD1 3.7Å; K146-D164 PolarHBondContact NZ-OD1 3.36Å; K146-D164 IonicContact NZ-OD2 2.68Å; K146-D164 PolarHBondContact NZ-OD2 2.91Å; K161-D164 PolarHBondContact N-OD2 3.42Å; K161-D164 VanDerWaalsContact O-CB 3.23Å; K161-D164 WeakPolarHBondContact O-CB 3.17Å; K161-D164 VanDerWaalsContact O-CG 3.27Å; K161-D164 PolarHBondContact O-N 3Å; K161-D164 VanDerWaalsContact O-N 3.14Å; D164-I166 HydrophobicContact CB-CD1 4.19Å; D164-I166 HydrophobicContact CB-CG1 4.47Å; D164-V289 PolarHBondContact O-N 3.49Å
165	L	90.4	Very high	90.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.2	171.8	-70	173.9	0	0	0	109.4	V49 K146 Y147 I181 L225 I286 L288	V49-L165 HydrophobicContact CG1-CD1 4.15Å; V49-L165 HydrophobicContact CG1-CD2 4.22Å; K146-L165 WeakPolarHBondContact CA-O 3.33Å; Y147-L165 PolarHBondContact N-O 3.47Å; L165-I181 HydrophobicContact CD2-CD1 3.55Å; L165-L225 HydrophobicContact CD1-CB 4.3Å; L165-I286 HydrophobicContact CD2-CG2 4.44Å; L165-L288 HydrophobicContact CD2-CB 4.2Å; L165-L288 HydrophobicContact CD2-CD1 4.01Å
166	I	92.3	Very high	90.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	128.6	-175.7	-57.8	-60.1	0	0	0	109.8	Y144 G145 K146 I160 D164 L168 P175 M178 I286 G287 V289	Y144-I166 HydrophobicContact CD1-CG2 4.24Å; Y144-I166 HydrophobicContact CG-CG2 4.44Å; G145-I166 CarbonylContact O-C 3.56Å; G145-I166 WeakPolarHBondContact O-CA 3.35Å; K146-I166 HydrophobicContact CB-CD1 4.07Å; K146-I166 HydrophobicContact CG-CD1 4.3Å; I160-I166 HydrophobicContact CD1-CD1 4.29Å; I160-I166 HydrophobicContact CG1-CD1 4.19Å; I160-I166 HydrophobicContact CG2-CD1 4.38Å; I160-I166 HydrophobicContact CG2-CG1 4.34Å; D164-I166 HydrophobicContact CB-CD1 4.19Å; D164-I166 HydrophobicContact CB-CG1 4.47Å; I166-L168 HydrophobicContact CG2-CD2 4.16Å; I166-P175 HydrophobicContact CG2-CG 4.37Å; I166-M178 HydrophobicContact CB-CE 4.17Å; I166-M178 HydrophobicContact CG2-CE 4.43Å; I166-I286 WeakPolarHBondContact O-CA 3.43Å; I166-G287 PolarHBondContact N-O 2.84Å; I166-G287 PolarHBondContact O-N 3.44Å; I166-V289 HydrophobicContact CG1-CG2 3.81Å
167	R	92.2	Very high	90.3	Very high	63 Å²	63	35.4 Å²	35.4	24%	0.238	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.1	169.1	-170.5	-175.1	174.7	164.1	-6.3	109.3	G145 Y147 E152 E169	G145-R167 PolarHBondContact O-N 2.91Å; Y147-R167 HydrophobicContact CD2-CB 4.37Å; Y147-R167 HydrophobicContact CE2-CB 3.77Å; Y147-R167 HydrophobicContact CE2-CG 4.15Å; E152-R167 WeakPolarHBondContact OE1-CD 3.47Å; E152-R167 IonicContact OE2-CZ 2.71Å; E152-R167 IonicContact OE2-NH1 3.49Å; E152-R167 PolarHBondContact OE2-NH1 3.44Å; R167-E169 IonicContact CZ-OE1 3.57Å; R167-E169 IonicContact NE-OE1 2.73Å; R167-E169 PolarHBondContact NE-OE1 2.99Å; R167-E169 IonicContact NH2-OE1 3.1Å; R167-E169 PolarHBondContact NH2-OE1 2.84Å
168	L	92.3	Very high	90.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.6	173.9	-62.2	176.3	0	0	0	109.2	Y144 I166 V174 M178 L274 L280 S284 A285	Y144-L168 HydrophobicContact CD1-CD2 4.11Å; Y144-L168 HydrophobicContact CE1-CD2 4.16Å; I166-L168 HydrophobicContact CG2-CD2 4.16Å; L168-V174 HydrophobicContact CD1-CG2 3.79Å; L168-M178 HydrophobicContact CD1-CE 4.28Å; L168-M178 HydrophobicContact CD1-SD 3.57Å; L168-M178 VanDerWaalsContact CD1-SD 3.57Å; L168-M178 HydrophobicContact CG-SD 4.31Å; L168-L274 HydrophobicContact CD1-CD1 3.95Å; L168-L280 HydrophobicContact CB-CD2 3.98Å; L168-S284 CarbonylContact O-C 3.57Å; L168-S284 VanDerWaalsContact O-CA 3.26Å; L168-S284 WeakPolarHBondContact O-CA 3.47Å; L168-A285 PolarHBondContact N-O 3.01Å; L168-A285 PolarHBondContact O-N 3.37Å
169	E	90.1	Very high	90.7	Very high	70 Å²	70	34.3 Å²	34.3	33%	0.327	16%	0.159	S	C	.	.			trans	-95.7	166.1	171.7	-66.7	-60.8	164.4	0	0	111.7	R167 N171 Q172 S284	R167-E169 IonicContact CZ-OE1 3.57Å; R167-E169 IonicContact NE-OE1 2.73Å; R167-E169 PolarHBondContact NE-OE1 2.99Å; R167-E169 IonicContact NH2-OE1 3.1Å; R167-E169 PolarHBondContact NH2-OE1 2.84Å; E169-N171 PolarHBondContact O-N 3.28Å; E169-Q172 WeakPolarHBondContact O-CB 3.22Å; E169-Q172 PolarHBondContact O-N 3.35Å; E169-S284 PolarHBondContact OE2-OG 3.5Å
170	K	85.7	Confident	90.8	Very high	114 Å²	114	30 Å²	30	50%	0.496	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	137.1	175.3	-175.7	179.9	177.7	-178.6	0	110.9	Q172 A281 G283	K170-Q172 PolarHBondContact O-N 3.1Å; K170-A281 WeakPolarHBondContact CE-O 3.31Å; K170-A281 WeakPolarHBondContact CG-O 3.41Å; K170-G283 WeakPolarHBondContact CA-O 3.2Å; K170-G283 PolarHBondContact N-O 3.49Å; K170-G283 VanDerWaalsContact N-O 3.15Å
171	N	85.6	Confident	90.8	Very high	99 Å²	99	30 Å²	30	53%	0.529	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	11.2	-176.8	-62.6	-40.3	0	0	0	114.9	E169 L280	E169-N171 PolarHBondContact O-N 3.28Å; N171-L280 VanDerWaalsContact CA-O 3.29Å; N171-L280 WeakPolarHBondContact CA-O 3.19Å; N171-L280 PolarHBondContact N-O 3.32Å
172	Q	88.2	Confident	90.7	Very high	45 Å²	45	25.3 Å²	25.3	21%	0.21	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-83.4	143.1	173.1	-160.2	173.6	13.1	0	0	110.5	I143 Y144 E169 K170 L280	I143-Q172 PolarHBondContact O-NE2 2.95Å; Y144-Q172 HydrophobicContact CD1-CG 4.37Å; Y144-Q172 HydrophobicContact CE1-CG 3.83Å; Y144-Q172 VanDerWaalsContact CE1-NE2 3.35Å; E169-Q172 WeakPolarHBondContact O-CB 3.22Å; E169-Q172 PolarHBondContact O-N 3.35Å; K170-Q172 PolarHBondContact O-N 3.1Å; Q172-L280 PolarHBondContact O-N 2.9Å; Q172-L280 VanDerWaalsContact O-N 3.13Å
173	R	88.4	Confident	90.7	Very high	66 Å²	66	25.1 Å²	25.1	25%	0.249	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-79	141.3	176.6	178.6	172.8	-72.7	177.4	-3.1	110.4	Y144 P175	Y144-R173 WeakPolarHBondContact CE1-O 3.27Å; Y144-R173 PolarHBondContact OH-O 3.16Å; R173-P175 WeakPolarHBondContact O-CD 3.18Å
174	V	93.1	Very high	90.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-72.8	119.1	172.9	-178.1	0	0	0	0	109.6	L168 A176 M178 L274 W275 S276 N277 T278	L168-V174 HydrophobicContact CD1-CG2 3.79Å; V174-A176 WeakPolarHBondContact CG1-O 3.29Å; V174-M178 HydrophobicContact CG1-CE 3.8Å; V174-M178 HydrophobicContact CG1-CG 3.93Å; V174-M178 HydrophobicContact CG1-SD 3.9Å; V174-L274 HydrophobicContact CG1-CB 4.2Å; V174-L274 HydrophobicContact CG2-CB 4.14Å; V174-W275 VanDerWaalsContact CB-O 3.3Å; V174-W275 WeakPolarHBondContact CB-O 3.49Å; V174-W275 WeakPolarHBondContact CG1-O 3.29Å; V174-S276 WeakPolarHBondContact O-CA 3.32Å; V174-N277 PolarHBondContact O-N 3.39Å; V174-T278 WeakPolarHBondContact CG2-O 3.36Å; V174-T278 WeakPolarHBondContact CG2-OG1 3.34Å; V174-T278 PolarHBondContact N-O 3.09Å
175	P	91.2	Very high	90.1	Very high	15 Å²	15	29.1 Å²	29.1	10%	0.097	14%	0.139	C	C	.	.			trans	-79.5	-20.2	-172	28.4	-34.6	0	0	0	115.1	N61 Y144 I160 I166 R173 M178	N61-P175 PolarHBondContact ND2-O 2.79Å; N61-P175 VanDerWaalsContact ND2-O 3.12Å; Y144-P175 HydrophobicContact CD1-CB 4.48Å; Y144-P175 HydrophobicContact CD1-CG 3.96Å; Y144-P175 HydrophobicContact CD2-CB 4.21Å; Y144-P175 HydrophobicContact CD2-CG 4.37Å; Y144-P175 HydrophobicContact CE1-CB 4.06Å; Y144-P175 HydrophobicContact CE1-CG 3.85Å; Y144-P175 HydrophobicContact CE2-CB 3.75Å; Y144-P175 HydrophobicContact CE2-CG 4.26Å; Y144-P175 HydrophobicContact CG-CG 4.23Å; I160-P175 HydrophobicContact CD1-CB 3.63Å; I160-P175 HydrophobicContact CD1-CG 3.58Å; I166-P175 HydrophobicContact CG2-CG 4.37Å; R173-P175 WeakPolarHBondContact O-CD 3.18Å; P175-M178 HydrophobicContact CG-CE 4.13Å
176	A	93	Very high	89.4	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-157.8	159.4	-173.8	0	0	0	0	0	108.5	V174 M178 V289 Y291 T292	V174-A176 WeakPolarHBondContact CG1-O 3.29Å; A176-M178 PolarHBondContact O-N 3.37Å; A176-V289 HydrophobicContact CB-CG1 3.7Å; A176-V289 HydrophobicContact CB-CG2 4.36Å; A176-Y291 WeakPolarHBondContact CB-O 3.15Å; A176-T292 HydrophobicContact CB-CG2 4.14Å
177	D	94.4	Very high	88.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125.2	177.8	-66.3	-10.2	0	0	0	108.8	W275 S276 I290 Y291 T296 R297	D177-W275 HydrophobicContact CB-CE3 3.8Å; D177-W275 HydrophobicContact CB-CZ3 4.07Å; D177-S276 VanDerWaalsContact OD1-CB 3.23Å; D177-S276 WeakPolarHBondContact OD1-CB 3.26Å; D177-S276 PolarHBondContact OD1-N 2.91Å; D177-S276 PolarHBondContact OD1-OG 3.26Å; D177-I290 HydrophobicContact CB-CG1 4.21Å; D177-I290 WeakPolarHBondContact O-CG1 3.42Å; D177-I290 PolarHBondContact O-N 2.85Å; D177-Y291 HydrophobicContact CB-CD2 3.85Å; D177-Y291 HydrophobicContact CB-CG 4.45Å; D177-Y291 PolarHBondContact N-O 3.03Å; D177-Y291 VanDerWaalsContact N-O 3.15Å; D177-Y291 PolarHBondContact O-N 3.44Å; D177-T296 VanDerWaalsContact OD2-CA 3.27Å; D177-T296 WeakPolarHBondContact OD2-CA 3.42Å; D177-R297 PolarHBondContact OD2-N 2.86Å
178	M	94.4	Very high	87.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	160.3	-172.8	66.1	178.9	54.9	0	0	112.5	I166 L168 V174 P175 A176 L274 L288 V289	I166-M178 HydrophobicContact CB-CE 4.17Å; I166-M178 HydrophobicContact CG2-CE 4.43Å; L168-M178 HydrophobicContact CD1-CE 4.28Å; L168-M178 HydrophobicContact CD1-SD 3.57Å; L168-M178 VanDerWaalsContact CD1-SD 3.57Å; L168-M178 HydrophobicContact CG-SD 4.31Å; V174-M178 HydrophobicContact CG1-CE 3.8Å; V174-M178 HydrophobicContact CG1-CG 3.93Å; V174-M178 HydrophobicContact CG1-SD 3.9Å; P175-M178 HydrophobicContact CG-CE 4.13Å; A176-M178 PolarHBondContact O-N 3.37Å; M178-L274 HydrophobicContact CG-CB 3.59Å; M178-L274 HydrophobicContact CG-CD1 3.91Å; M178-L274 HydrophobicContact CG-CG 4.24Å; M178-L274 WeakPolarHBondContact CG-O 3.47Å; M178-L274 PolarHBondContact N-O 3.24Å; M178-L274 PolarHBondContact O-N 3.36Å; M178-L274 HydrophobicContact SD-CB 4.25Å; M178-L274 HydrophobicContact SD-CD1 3.7Å; M178-L288 CarbonylContact C-O 3.45Å; M178-L288 WeakPolarHBondContact CA-O 3.36Å; M178-L288 WeakPolarHBondContact CB-O 3.34Å; M178-V289 HydrophobicContact CE-CG2 4.36Å
179	I	93.5	Very high	87.4	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.3	175.6	-66.7	167.7	0	0	0	108.4	I181 I209 V232 F244 L268 H272 G287 L288 I290	I179-I181 PolarHBondContact O-N 3.17Å; I179-I209 HydrophobicContact CG2-CD1 3.9Å; I179-I209 HydrophobicContact CG2-CG1 4.43Å; I179-V232 HydrophobicContact CD1-CG1 3.38Å; I179-F244 HydrophobicContact CD1-CE1 4.43Å; I179-F244 HydrophobicContact CD1-CZ 4.09Å; I179-F244 HydrophobicContact CG1-CZ 4.46Å; I179-L268 HydrophobicContact CD1-CD1 3.95Å; I179-L268 HydrophobicContact CG2-CD1 4.26Å; I179-H272 CarbonylContact C-O 3.58Å; I179-H272 WeakPolarHBondContact CA-O 3.4Å; I179-H272 WeakPolarHBondContact CG2-O 3.07Å; I179-G287 CarbonylContact O-C 3.59Å; I179-G287 WeakPolarHBondContact O-CA 3.35Å; I179-L288 PolarHBondContact N-O 3.48Å; I179-L288 PolarHBondContact O-N 3.39Å; I179-I290 HydrophobicContact CD1-CD1 4.16Å; I179-I290 HydrophobicContact CD1-CG2 3.55Å; I179-I290 HydrophobicContact CG1-CD1 4.03Å; I179-I290 HydrophobicContact CG1-CG2 4.02Å
180	L	93.5	Very high	87.1	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	109.9	-177.9	-179.2	61.9	0	0	0	110.3	W182 C190 R206 Y207 A208 I209 H272 L274 A285	L180-W182 WeakPolarHBondContact CD1-O 3.4Å; L180-C190 WeakPolarHBondContact CD2-SG 3.17Å; L180-R206 HydrophobicContact CD2-CB 3.91Å; L180-Y207 VanDerWaalsContact CD2-C 3.48Å; L180-A208 HydrophobicContact CD2-CB 4.35Å; L180-A208 HydrophobicContact CG-CB 4Å; L180-A208 WeakPolarHBondContact O-CA 3.36Å; L180-I209 PolarHBondContact O-N 3.29Å; L180-H272 PolarHBondContact N-O 3.4Å; L180-L274 HydrophobicContact CB-CD1 4.34Å; L180-L274 HydrophobicContact CB-CG 4.17Å; L180-L274 HydrophobicContact CD1-CD1 3.98Å; L180-A285 HydrophobicContact CD1-CB 3.74Å
181	I	90.6	Very high	87	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-38.3	-179.1	-71.5	-176.4	0	0	0	111.4	V49 L165 I179 T212 L225 I286 L288	V49-I181 HydrophobicContact CG1-CD1 4.43Å; L165-I181 HydrophobicContact CD2-CD1 3.55Å; I179-I181 PolarHBondContact O-N 3.17Å; I181-T212 HydrophobicContact CG2-CG2 4.18Å; I181-T212 PolarHBondContact O-OG1 2.9Å; I181-L225 HydrophobicContact CG2-CD1 3.86Å; I181-L225 HydrophobicContact CG2-CD2 3.58Å; I181-L225 HydrophobicContact CG2-CG 4.37Å; I181-I286 PolarHBondContact N-O 2.96Å; I181-L288 HydrophobicContact CD1-CB 3.54Å; I181-L288 HydrophobicContact CD1-CG 4.49Å; I181-L288 HydrophobicContact CG1-CB 4.23Å
182	W	89.7	Confident	87.2	Confident	40 Å²	40	30.3 Å²	30.3	15%	0.152	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	153.2	-177.7	178.1	84.6	0	0	0	111	L180 H213 V216 N217 A285 I286	L180-W182 WeakPolarHBondContact CD1-O 3.4Å; W182-H213 AromaticContact CD1-CD2 3.57Å; W182-H213 AromaticContact NE1-CD2 3.98Å; W182-V216 HydrophobicContact CD2-CG1 4.28Å; W182-V216 HydrophobicContact CG-CB 4.24Å; W182-V216 HydrophobicContact CG-CG1 4.07Å; W182-V216 HydrophobicContact CG-CG2 4.4Å; W182-N217 PolarHBondContact NE1-OD1 3.44Å; W182-A285 CarbonylContact O-C 3.6Å; W182-A285 WeakPolarHBondContact O-CA 3.04Å; W182-I286 HydrophobicContact CB-CB 4.34Å; W182-I286 HydrophobicContact CD2-CD1 4.32Å; W182-I286 HydrophobicContact CE3-CB 4.49Å; W182-I286 HydrophobicContact CE3-CD1 3.61Å; W182-I286 HydrophobicContact CE3-CG1 3.83Å; W182-I286 HydrophobicContact CZ3-CD1 4.21Å; W182-I286 HydrophobicContact CZ3-CG1 4.44Å; W182-I286 PolarHBondContact N-O 3.16Å; W182-I286 PolarHBondContact O-N 3.33Å
183	T	88.9	Confident	86.9	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151	174.7	174.4	0	0	0	0	109	D185 G188 S189 A208 H213 S284	T183-D185 HydrophobicContact CG2-CB 4.21Å; T183-D185 PolarHBondContact O-N 2.67Å; T183-D185 PolarHBondContact OG1-N 3.38Å; T183-G188 VanDerWaalsContact CG2-CA 3.42Å; T183-G188 WeakPolarHBondContact CG2-O 3.39Å; T183-S189 WeakPolarHBondContact CG2-O 3.05Å; T183-S189 PolarHBondContact OG1-O 3.07Å; T183-A208 HydrophobicContact CG2-CB 4.2Å; T183-H213 PolarHBondContact O-NE2 3.24Å; T183-S284 CarbonylContact C-O 3.15Å; T183-S284 WeakPolarHBondContact CA-O 3.32Å
184	S	84.2	Confident	86.6	Confident	51 Å²	51	27.3 Å²	27.3	36%	0.357	13%	0.13	S	C	.	.	S	Bend	trans	-64.5	-16.3	176.3	59.7	0	0	0	0	113.8	G283 S284	S184-G283 VanDerWaalsContact OG-CA 3.25Å; S184-G283 WeakPolarHBondContact OG-CA 3.24Å; S184-S284 PolarHBondContact N-O 2.86Å; S184-S284 PolarHBondContact OG-N 3.47Å
185	D	81.4	Confident	85.7	Confident	43 Å²	43	27.7 Å²	27.7	23%	0.23	13%	0.132	C	C	.	.	S	Bend	trans	-72	141.3	177.3	-176.4	32.3	0	0	0	112.3	T183 N187 G188 S189 H213	T183-D185 HydrophobicContact CG2-CB 4.21Å; T183-D185 PolarHBondContact O-N 2.67Å; T183-D185 PolarHBondContact OG1-N 3.38Å; D185-N187 VanDerWaalsContact C-N 3.28Å; D185-N187 PolarHBondContact O-N 3.12Å; D185-G188 PolarHBondContact O-N 3.13Å; D185-G188 VanDerWaalsContact O-N 3.14Å; D185-S189 WeakPolarHBondContact CB-O 3.31Å; D185-S189 WeakPolarHBondContact OD2-CB 2.9Å; D185-S189 PolarHBondContact OD2-N 3.14Å; D185-S189 PolarHBondContact OD2-OG 3.35Å; D185-H213 PolarHBondContact O-CE1 3.27Å; D185-H213 PolarHBondContact O-NE2 3.47Å
186	R	74.7	Confident	85	Confident	201 Å²	201	27.2 Å²	27.2	76%	0.758	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-31.1	-178.6	-68.3	-174.9	-179.9	-174.8	1.5	112.5	G188 H213	R186-G188 PolarHBondContact O-N 2.96Å; R186-H213 PolarHBondContact O-CE1 2.98Å
187	N	72.9	Confident	84.4	Confident	118 Å²	118	27.7 Å²	27.7	63%	0.631	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	1.1	179.2	-63.6	-12.2	0	0	0	112.6	D185 S189	D185-N187 VanDerWaalsContact C-N 3.28Å; D185-N187 PolarHBondContact O-N 3.12Å; N187-S189 PolarHBondContact O-N 2.93Å
188	G	79	Confident	83.4	Confident	4 Å²	4	28.2 Å²	28.2	4%	0.041	13%	0.134	C	C	.	.	S	Bend	trans	70.2	18	-174.7	0	0	0	0	0	112.9	T183 D185 R186 Y207 A208 H213	T183-G188 VanDerWaalsContact CG2-CA 3.42Å; T183-G188 WeakPolarHBondContact CG2-O 3.39Å; D185-G188 PolarHBondContact O-N 3.13Å; D185-G188 VanDerWaalsContact O-N 3.14Å; R186-G188 PolarHBondContact O-N 2.96Å; G188-Y207 CarbonylContact O-C 3.54Å; G188-Y207 WeakPolarHBondContact O-CA 3.42Å; G188-A208 PolarHBondContact O-N 2.84Å; G188-H213 VanDerWaalsContact CA-CE1 3.48Å; G188-H213 WeakPolarHBondContact CA-CE1 3.31Å; G188-H213 WeakPolarHBondContact CA-NE2 3.13Å; G188-H213 PolarHBondContact N-CE1 2.87Å
189	S	82	Confident	82.1	Confident	18 Å²	18	28.4 Å²	28.4	13%	0.126	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	149.6	-178.5	81.9	0	0	0	0	112.7	T183 D185 N187 R206	T183-S189 WeakPolarHBondContact CG2-O 3.05Å; T183-S189 PolarHBondContact OG1-O 3.07Å; D185-S189 WeakPolarHBondContact CB-O 3.31Å; D185-S189 WeakPolarHBondContact OD2-CB 2.9Å; D185-S189 PolarHBondContact OD2-N 3.14Å; D185-S189 PolarHBondContact OD2-OG 3.35Å; N187-S189 PolarHBondContact O-N 2.93Å; S189-R206 CarbonylContact C-O 3.53Å; S189-R206 VanDerWaalsContact CA-O 3.28Å; S189-R206 WeakPolarHBondContact CA-O 3.26Å
190	C	84.8	Confident	81	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.1	167.7	75.6	0	0	0	0	110.6	L180 R206 L280	L180-C190 WeakPolarHBondContact CD2-SG 3.17Å; C190-R206 PolarHBondContact N-O 3.2Å; C190-R206 PolarHBondContact O-N 3.3Å; C190-L280 HydrophobicContact CB-CD1 4.1Å
191	F	84.6	Confident	79.7	Confident	31 Å²	31	31.9 Å²	31.9	14%	0.136	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.2	175.8	-69.6	-82.4	0	0	0	110	W203 L205 A281 T282	F191-W203 HydrophobicContact CB-CB 4.48Å; F191-W203 HydrophobicContact CB-CE3 4.33Å; F191-W203 HydrophobicContact CD1-CB 4.04Å; F191-W203 HydrophobicContact CD1-CE3 4.48Å; F191-W203 HydrophobicContact CG-CE3 4.36Å; F191-L205 HydrophobicContact CD1-CD1 4.05Å; F191-L205 HydrophobicContact CD2-CD1 4.44Å; F191-L205 HydrophobicContact CE1-CB 4.25Å; F191-L205 HydrophobicContact CE1-CD1 3.71Å; F191-L205 HydrophobicContact CE1-CG 4.48Å; F191-L205 HydrophobicContact CE2-CD1 4.11Å; F191-L205 HydrophobicContact CG-CD1 4.41Å; F191-L205 HydrophobicContact CZ-CD1 3.74Å; F191-A281 HydrophobicContact CB-CB 4.11Å; F191-A281 WeakPolarHBondContact O-CB 3.29Å; F191-A281 PolarHBondContact O-N 3.29Å; F191-T282 HydrophobicContact CB-CG2 4.47Å; F191-T282 HydrophobicContact CD2-CG2 4.36Å; F191-T282 PolarHBondContact N-OG1 3.38Å
192	I	88	Confident	78.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	146.4	171.2	64.7	168.4	0	0	0	110.6	T194 K204 R206 L274 V279	I192-T194 HydrophobicContact CD1-CG2 3.75Å; I192-T194 HydrophobicContact CG1-CG2 4.04Å; I192-K204 HydrophobicContact CG1-CB 4.02Å; I192-K204 WeakPolarHBondContact CG1-O 3.37Å; I192-K204 PolarHBondContact N-O 3.36Å; I192-K204 PolarHBondContact O-N 3.15Å; I192-R206 HydrophobicContact CD1-CG 3.8Å; I192-R206 HydrophobicContact CG1-CG 3.9Å; I192-R206 HydrophobicContact CG2-CG 4.21Å; I192-L274 HydrophobicContact CG2-CD2 3.47Å; I192-L274 VanDerWaalsContact CG2-CD2 3.47Å; I192-V279 WeakPolarHBondContact CA-O 3.27Å
193	R	82.6	Confident	77.9	Confident	45 Å²	45	36.4 Å²	36.4	17%	0.17	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.7	166.8	-64.3	-174.9	-68.5	171.8	3.1	109.4	D195 T278 V279 A281 E829	R193-D195 WeakPolarHBondContact CB-OD1 3.29Å; R193-T278 WeakPolarHBondContact O-CA 3.34Å; R193-T278 VanDerWaalsContact O-CB 3.31Å; R193-T278 WeakPolarHBondContact O-CB 3.34Å; R193-V279 PolarHBondContact N-O 3.43Å; R193-V279 PolarHBondContact O-N 2.81Å; R193-A281 HydrophobicContact CG-CB 4.3Å; R193-E829 IonicContact CZ-OE1 3.39Å; R193-E829 IonicContact NE-OE1 3.31Å; R193-E829 IonicContact NH1-OE1 2.69Å; R193-E829 PolarHBondContact NH1-OE1 3.27Å
194	T	82.2	Confident	77.5	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.018	18%	0.182	C	C	.	.			trans	-112.3	6.1	-179.6	58.5	0	0	0	0	113.5	I192 Q196 L197 D198 K204 T278	I192-T194 HydrophobicContact CD1-CG2 3.75Å; I192-T194 HydrophobicContact CG1-CG2 4.04Å; T194-Q196 PolarHBondContact O-N 3.16Å; T194-L197 WeakPolarHBondContact O-CA 3.31Å; T194-L197 PolarHBondContact O-N 3.45Å; T194-D198 VanDerWaalsContact C-OD1 3.25Å; T194-D198 VanDerWaalsContact CB-OD2 3.29Å; T194-D198 WeakPolarHBondContact CB-OD2 3.46Å; T194-D198 PolarHBondContact O-N 2.94Å; T194-D198 PolarHBondContact OG1-OD1 2.86Å; T194-D198 PolarHBondContact OG1-OD2 2.96Å; T194-K204 HydrophobicContact CG2-CD 3.9Å; T194-K204 HydrophobicContact CG2-CG 4.32Å; T194-K204 VanDerWaalsContact OG1-CE 3.27Å; T194-K204 WeakPolarHBondContact OG1-CE 3.36Å; T194-T278 HydrophobicContact CG2-CG2 3.97Å
195	D	74	Confident	77.4	Confident	9 Å²	9	37.9 Å²	37.9	5%	0.048	18%	0.177	C	C	.	.	H	α-helix	trans	-41.4	-43.9	176.5	61.3	-56.8	0	0	0	113.3	R193 L197 G199 E200 E829	R193-D195 WeakPolarHBondContact CB-OD1 3.29Å; D195-L197 PolarHBondContact O-N 3.17Å; D195-G199 WeakPolarHBondContact O-CA 3.46Å; D195-G199 PolarHBondContact O-N 3.4Å; D195-E200 WeakPolarHBondContact CA-O 3.44Å; D195-E200 PolarHBondContact N-O 3.36Å; D195-E829 WeakPolarHBondContact OD2-CB 3.36Å
196	Q	76.8	Confident	77.7	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.028	17%	0.168	C	C	.	.	H	α-helix	trans	-78.6	-16.3	-179.6	-57.3	-160.3	4.1	0	0	114.8	T194 G810 N811 E829 G830	T194-Q196 PolarHBondContact O-N 3.16Å; Q196-G810 CarbonylContact O-C 3.55Å; Q196-G810 VanDerWaalsContact O-C 3.31Å; Q196-G810 WeakPolarHBondContact O-CA 3.48Å; Q196-N811 PolarHBondContact O-N 3.21Å; Q196-E829 PolarHBondContact NE2-O 2.81Å; Q196-G830 VanDerWaalsContact NE2-CA 3.31Å
197	L	79.8	Confident	78.4	Confident	10 Å²	10	31.9 Å²	31.9	5%	0.052	15%	0.152	C	C	.	.	H	α-helix	trans	-97.4	-48.9	-178.4	-173	67	0	0	0	111.5	T194 D195 I241 W275 T278 A298 P785	T194-L197 WeakPolarHBondContact O-CA 3.31Å; T194-L197 PolarHBondContact O-N 3.45Å; D195-L197 PolarHBondContact O-N 3.17Å; L197-I241 HydrophobicContact CD1-CG2 4.18Å; L197-I241 HydrophobicContact CD2-CB 4.32Å; L197-I241 HydrophobicContact CD2-CG2 3.93Å; L197-I241 HydrophobicContact CG-CG2 4Å; L197-W275 HydrophobicContact CD2-CB 3.77Å; L197-W275 HydrophobicContact CD2-CG 4.04Å; L197-T278 HydrophobicContact CD2-CG2 4.25Å; L197-A298 HydrophobicContact CD1-CB 4.11Å; L197-P785 WeakPolarHBondContact O-CG 3.42Å
198	D	73.5	Confident	79.2	Confident	11 Å²	11	26.4 Å²	26.4	6%	0.059	12%	0.123	C	C	.	.	H	α-helix	trans	-109	-22.4	-177.6	51.3	30.1	0	0	0	114.4	T194 E200 K204 I241	T194-D198 VanDerWaalsContact C-OD1 3.25Å; T194-D198 VanDerWaalsContact CB-OD2 3.29Å; T194-D198 WeakPolarHBondContact CB-OD2 3.46Å; T194-D198 PolarHBondContact O-N 2.94Å; T194-D198 PolarHBondContact OG1-OD1 2.86Å; T194-D198 PolarHBondContact OG1-OD2 2.96Å; D198-E200 WeakPolarHBondContact OD1-CB 3.39Å; D198-E200 PolarHBondContact OD1-N 3.42Å; D198-K204 IonicContact OD2-NZ 2.82Å; D198-K204 PolarHBondContact OD2-NZ 3.44Å; D198-I241 HydrophobicContact CB-CD1 3.61Å
199	G	67.9	Low	79.7	Confident	3 Å²	3	26.2 Å²	26.2	3%	0.031	12%	0.121	C	C	.	.			trans	87	3.2	-173.2	0	0	0	0	0	114.8	D195 N811	D195-G199 WeakPolarHBondContact O-CA 3.46Å; D195-G199 PolarHBondContact O-N 3.4Å; G199-N811 WeakPolarHBondContact CA-ND2 3.36Å; G199-N811 PolarHBondContact N-ND2 3.35Å
200	E	70.9	Confident	79.8	Confident	59 Å²	59	29.2 Å²	29.2	28%	0.276	14%	0.14	S	C	.	.			trans	-84.5	139	174.6	-63.1	-179	165.3	0	0	109.8	D195 D198 D202 K204	D195-E200 WeakPolarHBondContact CA-O 3.44Å; D195-E200 PolarHBondContact N-O 3.36Å; D198-E200 WeakPolarHBondContact OD1-CB 3.39Å; D198-E200 PolarHBondContact OD1-N 3.42Å; E200-D202 VanDerWaalsContact C-N 3.33Å; E200-K204 VanDerWaalsContact OE2-CE 3.27Å; E200-K204 WeakPolarHBondContact OE2-CE 3.31Å; E200-K204 IonicContact OE2-NZ 2.67Å; E200-K204 PolarHBondContact OE2-NZ 3.35Å
201	T	64.3	Low	79.6	Confident	16 Å²	16	30.7 Å²	30.7	10%	0.098	15%	0.149	C	C	.	.			trans	-83.9	-14.5	179.4	52.5	0	0	0	0	112.9	T409 N415	T201-T409 HydrophobicContact CG2-CG2 3.18Å; T201-N415 WeakPolarHBondContact CB-OD1 3.25Å; T201-N415 VanDerWaalsContact CG2-CG 3.42Å; T201-N415 WeakPolarHBondContact CG2-ND2 3.3Å; T201-N415 WeakPolarHBondContact CG2-OD1 3.22Å
202	D	68.3	Low	79.7	Confident	62 Å²	62	29.3 Å²	29.3	33%	0.332	14%	0.143	S	C	.	.	S	Bend	trans	-69.2	134	-173.2	-67.3	-12.2	0	0	0	110.5	E200 K204 P523	E200-D202 VanDerWaalsContact C-N 3.33Å; D202-K204 PolarHBondContact O-N 2.84Å; D202-P523 WeakPolarHBondContact OD1-CD 3.22Å
203	W	74.4	Confident	79.5	Confident	74 Å²	74	30 Å²	30	28%	0.28	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	127.5	174.5	-64.7	1.7	0	0	0	109	F191 M486 Q519	F191-W203 HydrophobicContact CB-CB 4.48Å; F191-W203 HydrophobicContact CB-CE3 4.33Å; F191-W203 HydrophobicContact CD1-CB 4.04Å; F191-W203 HydrophobicContact CD1-CE3 4.48Å; F191-W203 HydrophobicContact CG-CE3 4.36Å; W203-M486 HydrophobicContact CH2-CE 4.49Å; W203-Q519 HydrophobicContact CH2-CG 4.44Å; W203-Q519 HydrophobicContact CZ3-CB 3.94Å; W203-Q519 HydrophobicContact CZ3-CG 3.83Å
204	K	81.1	Confident	79.5	Confident	36 Å²	36	30.6 Å²	30.6	16%	0.157	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.9	-179.3	-60.1	-169.5	-180	179.2	0	109	I192 T194 D198 E200 D202	I192-K204 HydrophobicContact CG1-CB 4.02Å; I192-K204 WeakPolarHBondContact CG1-O 3.37Å; I192-K204 PolarHBondContact N-O 3.36Å; I192-K204 PolarHBondContact O-N 3.15Å; T194-K204 HydrophobicContact CG2-CD 3.9Å; T194-K204 HydrophobicContact CG2-CG 4.32Å; T194-K204 VanDerWaalsContact OG1-CE 3.27Å; T194-K204 WeakPolarHBondContact OG1-CE 3.36Å; D198-K204 IonicContact OD2-NZ 2.82Å; D198-K204 PolarHBondContact OD2-NZ 3.44Å; E200-K204 VanDerWaalsContact OE2-CE 3.27Å; E200-K204 WeakPolarHBondContact OE2-CE 3.31Å; E200-K204 IonicContact OE2-NZ 2.67Å; E200-K204 PolarHBondContact OE2-NZ 3.35Å; D202-K204 PolarHBondContact O-N 2.84Å
205	L	82.1	Confident	79.4	Confident	47 Å²	47	32.6 Å²	32.6	25%	0.246	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	135.8	174.8	-168.7	56.6	0	0	0	109.1	F191 Y207	F191-L205 HydrophobicContact CD1-CD1 4.05Å; F191-L205 HydrophobicContact CD2-CD1 4.44Å; F191-L205 HydrophobicContact CE1-CB 4.25Å; F191-L205 HydrophobicContact CE1-CD1 3.71Å; F191-L205 HydrophobicContact CE1-CG 4.48Å; F191-L205 HydrophobicContact CE2-CD1 4.11Å; F191-L205 HydrophobicContact CG-CD1 4.41Å; F191-L205 HydrophobicContact CZ-CD1 3.74Å; L205-Y207 HydrophobicContact CD2-CE1 4.17Å; L205-Y207 HydrophobicContact CD2-CE2 4.25Å; L205-Y207 WeakPolarHBondContact CD2-OH 3.46Å; L205-Y207 HydrophobicContact CG-CE1 4.32Å; L205-Y207 HydrophobicContact CG-CE2 4.22Å
206	R	88.2	Confident	79.7	Confident	13 Å²	13	32.3 Å²	32.3	5%	0.049	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	148.8	174.4	-64.7	-65.1	179.9	-107.7	6	109.4	L180 S189 C190 I192 I270 D271 T273 L274	L180-R206 HydrophobicContact CD2-CB 3.91Å; S189-R206 CarbonylContact C-O 3.53Å; S189-R206 VanDerWaalsContact CA-O 3.28Å; S189-R206 WeakPolarHBondContact CA-O 3.26Å; C190-R206 PolarHBondContact N-O 3.2Å; C190-R206 PolarHBondContact O-N 3.3Å; I192-R206 HydrophobicContact CD1-CG 3.8Å; I192-R206 HydrophobicContact CG1-CG 3.9Å; I192-R206 HydrophobicContact CG2-CG 4.21Å; R206-I270 WeakPolarHBondContact CD-O 3.47Å; R206-I270 PolarHBondContact NE-O 3.28Å; R206-D271 CarbonylContact C-O 3.59Å; R206-D271 WeakPolarHBondContact CA-O 3.28Å; R206-D271 WeakPolarHBondContact CB-O 3.21Å; R206-D271 WeakPolarHBondContact CD-O 3.25Å; R206-D271 IonicContact NH1-OD1 2.8Å; R206-T273 WeakPolarHBondContact CD-O 3.28Å; R206-T273 PolarHBondContact NE-O 3.37Å; R206-L274 HydrophobicContact CG-CD2 4.41Å
207	Y	89.3	Confident	79.8	Confident	104 Å²	104	36.1 Å²	36.1	41%	0.408	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.4	179.3	-61.3	-77.4	0	0	0	110	L180 G188 L205 D271 H272	L180-Y207 VanDerWaalsContact CD2-C 3.48Å; G188-Y207 CarbonylContact O-C 3.54Å; G188-Y207 WeakPolarHBondContact O-CA 3.42Å; L205-Y207 HydrophobicContact CD2-CE1 4.17Å; L205-Y207 HydrophobicContact CD2-CE2 4.25Å; L205-Y207 WeakPolarHBondContact CD2-OH 3.46Å; L205-Y207 HydrophobicContact CG-CE1 4.32Å; L205-Y207 HydrophobicContact CG-CE2 4.22Å; Y207-D271 HydrophobicContact CD2-CB 4.14Å; Y207-D271 PolarHBondContact N-O 3.01Å; Y207-H272 WeakPolarHBondContact O-CA 3.35Å; Y207-H272 PolarHBondContact O-CD2 3.13Å
208	A	89.9	Confident	79.5	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.033	23%	0.227	C	C	.	.			trans	-68.4	152.9	168.2	0	0	0	0	0	109.8	L180 T183 G188 P210 H213	L180-A208 HydrophobicContact CD2-CB 4.35Å; L180-A208 HydrophobicContact CG-CB 4Å; L180-A208 WeakPolarHBondContact O-CA 3.36Å; T183-A208 HydrophobicContact CG2-CB 4.2Å; G188-A208 PolarHBondContact O-N 2.84Å; A208-P210 VanDerWaalsContact O-CD 3.32Å; A208-P210 WeakPolarHBondContact O-CD 3.49Å; A208-P210 VanDerWaalsContact O-N 3.14Å; A208-H213 HydrophobicContact CB-CB 4.14Å
209	I	88.9	Confident	79.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.			trans	-57.6	121.6	174	-57.7	172.1	0	0	0	108.1	I179 L180 T211 T212 H213 F248 V266 L268	I179-I209 HydrophobicContact CG2-CD1 3.9Å; I179-I209 HydrophobicContact CG2-CG1 4.43Å; L180-I209 PolarHBondContact O-N 3.29Å; I209-T211 VanDerWaalsContact C-N 3.26Å; I209-T211 WeakPolarHBondContact CG2-OG1 3.45Å; I209-T211 PolarHBondContact O-N 2.79Å; I209-T212 HydrophobicContact CB-CG2 4.41Å; I209-T212 WeakPolarHBondContact CB-OG1 3.42Å; I209-T212 HydrophobicContact CG2-CG2 4.35Å; I209-T212 PolarHBondContact O-N 2.68Å; I209-T212 PolarHBondContact O-OG1 2.9Å; I209-H213 WeakPolarHBondContact O-CB 3.06Å; I209-H213 PolarHBondContact O-N 3.13Å; I209-F248 HydrophobicContact CD1-CB 4.14Å; I209-F248 HydrophobicContact CD1-CD2 3.48Å; I209-F248 VanDerWaalsContact CD1-CD2 3.48Å; I209-F248 HydrophobicContact CD1-CE2 4.03Å; I209-F248 HydrophobicContact CD1-CG 3.86Å; I209-F248 HydrophobicContact CG2-CD1 4.14Å; I209-F248 HydrophobicContact CG2-CE1 4.45Å; I209-F248 HydrophobicContact CG2-CG 4.27Å; I209-V266 HydrophobicContact CG2-CB 4.47Å; I209-V266 HydrophobicContact CG2-CG1 4.48Å; I209-V266 HydrophobicContact CG2-CG2 4.42Å; I209-L268 HydrophobicContact CD1-CD2 3.79Å; I209-L268 HydrophobicContact CG1-CD2 3.72Å
210	P	83.4	Confident	79.7	Confident	80 Å²	80	50.9 Å²	50.9	52%	0.519	27%	0.265	S	S	.	.	H	α-helix	trans	-58.2	-37.5	-171.7	-28.8	35.7	0	0	0	113.7	A208 A214	A208-P210 VanDerWaalsContact O-CD 3.32Å; A208-P210 WeakPolarHBondContact O-CD 3.49Å; A208-P210 VanDerWaalsContact O-N 3.14Å; P210-A214 VanDerWaalsContact O-CB 3.29Å; P210-A214 WeakPolarHBondContact O-CB 3.31Å; P210-A214 PolarHBondContact O-N 3.17Å
211	T	82.4	Confident	79.8	Confident	31 Å²	31	54.1 Å²	54.1	19%	0.19	28%	0.28	C	S	.	.	H	α-helix	trans	-68	-42.8	-177.8	56.4	0	0	0	0	112.1	I209 F215 A263 V266	I209-T211 VanDerWaalsContact C-N 3.26Å; I209-T211 WeakPolarHBondContact CG2-OG1 3.45Å; I209-T211 PolarHBondContact O-N 2.79Å; T211-F215 WeakPolarHBondContact O-CB 3.48Å; T211-F215 PolarHBondContact O-N 3.04Å; T211-F215 VanDerWaalsContact O-N 3.16Å; T211-A263 VanDerWaalsContact CG2-O 3.22Å; T211-A263 WeakPolarHBondContact CG2-O 3.13Å; T211-V266 HydrophobicContact CG2-CG2 3.94Å
212	T	85.1	Confident	80	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-74.3	-37.2	177.8	57.3	0	0	0	0	111.6	I181 I209 F215 V216 L228 F248	I181-T212 HydrophobicContact CG2-CG2 4.18Å; I181-T212 PolarHBondContact O-OG1 2.9Å; I209-T212 HydrophobicContact CB-CG2 4.41Å; I209-T212 WeakPolarHBondContact CB-OG1 3.42Å; I209-T212 HydrophobicContact CG2-CG2 4.35Å; I209-T212 PolarHBondContact O-N 2.68Å; I209-T212 PolarHBondContact O-OG1 2.9Å; T212-F215 PolarHBondContact O-N 3.39Å; T212-V216 WeakPolarHBondContact O-CG2 3.04Å; T212-V216 PolarHBondContact O-N 3.41Å; T212-L228 HydrophobicContact CG2-CD2 3.73Å; T212-F248 HydrophobicContact CG2-CE1 4.11Å; T212-F248 HydrophobicContact CG2-CE2 3.94Å; T212-F248 HydrophobicContact CG2-CZ 3.46Å; T212-F248 VanDerWaalsContact CG2-CZ 3.46Å
213	H	84.7	Confident	80.1	Confident	15 Å²	15	53.2 Å²	53.2	7%	0.069	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-47.1	176.9	-176.5	-99.7	0	0	0	111.8	W182 T183 D185 R186 G188 A208 I209 F215 V216 N217	W182-H213 AromaticContact CD1-CD2 3.57Å; W182-H213 AromaticContact NE1-CD2 3.98Å; T183-H213 PolarHBondContact O-NE2 3.24Å; D185-H213 PolarHBondContact O-CE1 3.27Å; D185-H213 PolarHBondContact O-NE2 3.47Å; R186-H213 PolarHBondContact O-CE1 2.98Å; G188-H213 VanDerWaalsContact CA-CE1 3.48Å; G188-H213 WeakPolarHBondContact CA-CE1 3.31Å; G188-H213 WeakPolarHBondContact CA-NE2 3.13Å; G188-H213 PolarHBondContact N-CE1 2.87Å; A208-H213 HydrophobicContact CB-CB 4.14Å; I209-H213 WeakPolarHBondContact O-CB 3.06Å; I209-H213 PolarHBondContact O-N 3.13Å; H213-F215 VanDerWaalsContact C-N 3.31Å; H213-F215 PolarHBondContact O-N 2.86Å; H213-V216 PolarHBondContact O-N 3.34Å; H213-N217 PolarHBondContact CE1-ND2 2.99Å; H213-N217 PolarHBondContact ND1-ND2 3.29Å; H213-N217 PolarHBondContact NE2-ND2 2.95Å; H213-N217 WeakPolarHBondContact O-CB 3.36Å; H213-N217 PolarHBondContact O-N 3.43Å
214	A	81.9	Confident	80.1	Confident	58 Å²	58	50.8 Å²	50.8	48%	0.479	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-39	174.8	0	0	0	0	0	112.4	P210 R218	P210-A214 VanDerWaalsContact O-CB 3.29Å; P210-A214 WeakPolarHBondContact O-CB 3.31Å; P210-A214 PolarHBondContact O-N 3.17Å; A214-R218 WeakPolarHBondContact O-CB 3.29Å; A214-R218 PolarHBondContact O-N 2.89Å
215	F	80.7	Confident	79.8	Confident	44 Å²	44	49.1 Å²	49.1	19%	0.193	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-45.5	177.7	179	-98	0	0	0	112.6	T211 T212 H213 R218 T219 S224	T211-F215 WeakPolarHBondContact O-CB 3.48Å; T211-F215 PolarHBondContact O-N 3.04Å; T211-F215 VanDerWaalsContact O-N 3.16Å; T212-F215 PolarHBondContact O-N 3.39Å; H213-F215 VanDerWaalsContact C-N 3.31Å; H213-F215 PolarHBondContact O-N 2.86Å; F215-R218 PolarHBondContact O-N 3.46Å; F215-T219 HydrophobicContact CE1-CG2 4.21Å; F215-T219 HydrophobicContact CE2-CG2 4.18Å; F215-T219 HydrophobicContact CZ-CG2 3.99Å; F215-T219 WeakPolarHBondContact O-CG2 3.17Å; F215-T219 PolarHBondContact O-N 3.16Å; F215-T219 PolarHBondContact O-OG1 2.88Å; F215-S224 WeakPolarHBondContact CE1-O 3.02Å
216	V	81.3	Confident	79.3	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-66.6	-43.1	177.2	176.4	0	0	0	0	111.3	W182 T212 H213 R218 T219 G220 P222 L225	W182-V216 HydrophobicContact CD2-CG1 4.28Å; W182-V216 HydrophobicContact CG-CB 4.24Å; W182-V216 HydrophobicContact CG-CG1 4.07Å; W182-V216 HydrophobicContact CG-CG2 4.4Å; T212-V216 WeakPolarHBondContact O-CG2 3.04Å; T212-V216 PolarHBondContact O-N 3.41Å; H213-V216 PolarHBondContact O-N 3.34Å; V216-R218 PolarHBondContact O-N 3.25Å; V216-T219 WeakPolarHBondContact CA-OG1 3.37Å; V216-T219 PolarHBondContact O-N 3.03Å; V216-T219 PolarHBondContact O-OG1 3.48Å; V216-G220 PolarHBondContact O-N 3.35Å; V216-P222 HydrophobicContact CG1-CB 4.39Å; V216-L225 HydrophobicContact CG2-CD1 4Å; V216-L225 HydrophobicContact CG2-CD2 3.38Å; V216-L225 HydrophobicContact CG2-CG 3.5Å
217	N	77.8	Confident	78.6	Confident	86 Å²	86	54.4 Å²	54.4	46%	0.46	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-30.4	178	-72.5	-11	0	0	0	112.6	W182 H213	W182-N217 PolarHBondContact NE1-OD1 3.44Å; H213-N217 PolarHBondContact CE1-ND2 2.99Å; H213-N217 PolarHBondContact ND1-ND2 3.29Å; H213-N217 PolarHBondContact NE2-ND2 2.95Å; H213-N217 WeakPolarHBondContact O-CB 3.36Å; H213-N217 PolarHBondContact O-N 3.43Å
218	R	74.6	Confident	78	Confident	226 Å²	226	49.7 Å²	49.7	85%	0.853	27%	0.273	S	S	*	.	H	α-helix	trans	-75.6	-38.7	174.7	-177.9	177.4	174.5	166.8	-0.9	113	A214 F215 V216	A214-R218 WeakPolarHBondContact O-CB 3.29Å; A214-R218 PolarHBondContact O-N 2.89Å; F215-R218 PolarHBondContact O-N 3.46Å; V216-R218 PolarHBondContact O-N 3.25Å
219	T	73.1	Confident	77.5	Confident	52 Å²	52	53.4 Å²	53.4	32%	0.319	29%	0.29	S	S	.	.	H	α-helix	trans	-83.1	-18.7	-177.6	48.6	0	0	0	0	113	F215 V216 H221	F215-T219 HydrophobicContact CE1-CG2 4.21Å; F215-T219 HydrophobicContact CE2-CG2 4.18Å; F215-T219 HydrophobicContact CZ-CG2 3.99Å; F215-T219 WeakPolarHBondContact O-CG2 3.17Å; F215-T219 PolarHBondContact O-N 3.16Å; F215-T219 PolarHBondContact O-OG1 2.88Å; V216-T219 WeakPolarHBondContact CA-OG1 3.37Å; V216-T219 PolarHBondContact O-N 3.03Å; V216-T219 PolarHBondContact O-OG1 3.48Å; T219-H221 PolarHBondContact O-N 3.26Å
220	G	70.6	Confident	77.4	Confident	56 Å²	56	53.6 Å²	53.6	58%	0.577	29%	0.291	S	S	*	.	S	Bend	trans	78.4	-12.8	175.7	0	0	0	0	0	114.8	V216	V216-G220 PolarHBondContact O-N 3.35Å
221	H	73.1	Confident	77.5	Confident	127 Å²	127	53.5 Å²	53.5	59%	0.588	28%	0.284	S	S	*	.			trans	-130.5	128.6	-179.5	-64.8	-58.5	0	0	0	112.3	T219 S223 S224	T219-H221 PolarHBondContact O-N 3.26Å; H221-S223 PolarHBondContact O-N 3.26Å; H221-S223 VanDerWaalsContact O-N 3.13Å; H221-S224 PolarHBondContact O-N 2.9Å
222	P	70.3	Confident	77.9	Confident	26 Å²	26	52.1 Å²	52.1	17%	0.169	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.4	-19.3	178	23.8	-32.4	0	0	0	113.7	Y147 V216 S224 L225 I286	Y147-P222 HydrophobicContact CE1-CB 4.47Å; Y147-P222 HydrophobicContact CE1-CG 4.2Å; Y147-P222 WeakPolarHBondContact OH-CG 3.35Å; V216-P222 HydrophobicContact CG1-CB 4.39Å; P222-S224 PolarHBondContact O-N 3.26Å; P222-L225 WeakPolarHBondContact O-CB 3.39Å; P222-L225 WeakPolarHBondContact O-CG 3.36Å; P222-L225 PolarHBondContact O-N 3.29Å; P222-I286 HydrophobicContact CB-CD1 3.41Å; P222-I286 VanDerWaalsContact CB-CD1 3.41Å; P222-I286 HydrophobicContact CG-CD1 4.41Å
223	S	69.2	Low	78.1	Confident	34 Å²	34	57.3 Å²	57.3	24%	0.238	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-57.7	-30.6	175.1	-43.4	0	0	0	0	112.9	H221 L225 W226	H221-S223 PolarHBondContact O-N 3.26Å; H221-S223 VanDerWaalsContact O-N 3.13Å; S223-L225 PolarHBondContact O-N 3.05Å; S223-L225 VanDerWaalsContact O-N 3.13Å; S223-W226 PolarHBondContact O-N 2.92Å
224	S	73.7	Confident	78.3	Confident	23 Å²	23	56.6 Å²	56.6	16%	0.161	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-65	-14.3	-180	-62.1	0	0	0	0	113.6	F215 H221 P222 W226 D227	F215-S224 WeakPolarHBondContact CE1-O 3.02Å; H221-S224 PolarHBondContact O-N 2.9Å; P222-S224 PolarHBondContact O-N 3.26Å; S224-W226 PolarHBondContact O-N 3.25Å; S224-W226 VanDerWaalsContact O-N 3.08Å; S224-D227 WeakPolarHBondContact O-CB 3.47Å; S224-D227 PolarHBondContact O-N 3.09Å
225	L	76	Confident	78.8	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-57.2	-21.5	172.6	-73.3	170.8	0	0	0	113.2	L165 I181 V216 P222 S223 L228 I286	L165-L225 HydrophobicContact CD1-CB 4.3Å; I181-L225 HydrophobicContact CG2-CD1 3.86Å; I181-L225 HydrophobicContact CG2-CD2 3.58Å; I181-L225 HydrophobicContact CG2-CG 4.37Å; V216-L225 HydrophobicContact CG2-CD1 4Å; V216-L225 HydrophobicContact CG2-CD2 3.38Å; V216-L225 HydrophobicContact CG2-CG 3.5Å; P222-L225 WeakPolarHBondContact O-CB 3.39Å; P222-L225 WeakPolarHBondContact O-CG 3.36Å; P222-L225 PolarHBondContact O-N 3.29Å; S223-L225 PolarHBondContact O-N 3.05Å; S223-L225 VanDerWaalsContact O-N 3.13Å; L225-L228 WeakPolarHBondContact O-CB 3.28Å; L225-I286 HydrophobicContact CD1-CD1 4.06Å; L225-I286 HydrophobicContact CD1-CG2 4.1Å
226	W	72.4	Confident	79.2	Confident	57 Å²	57	53.8 Å²	53.8	22%	0.216	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-73.6	-24.2	174.7	-82.8	96.9	0	0	0	114.5	G50 Y147 R149 S223 S224	G50-W226 VanDerWaalsContact C-CH2 3.45Å; G50-W226 WeakPolarHBondContact O-CH2 3.31Å; G50-W226 WeakPolarHBondContact O-CZ3 3.4Å; Y147-W226 VanDerWaalsContact C-NE1 3.32Å; Y147-W226 WeakPolarHBondContact O-CZ2 3.21Å; Y147-W226 PolarHBondContact O-NE1 3.34Å; R149-W226 HydrophobicContact CG-CE3 4.39Å; R149-W226 VanDerWaalsContact N-CE2 3.3Å; R149-W226 VanDerWaalsContact O-CD1 3.25Å; S223-W226 PolarHBondContact O-N 2.92Å; S224-W226 PolarHBondContact O-N 3.25Å; S224-W226 VanDerWaalsContact O-N 3.08Å
227	D	73	Confident	79.5	Confident	114 Å²	114	54 Å²	54	61%	0.61	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-14.9	177.5	-59.4	-37.5	0	0	0	111.5	S224 E229	S224-D227 WeakPolarHBondContact O-CB 3.47Å; S224-D227 PolarHBondContact O-N 3.09Å; D227-E229 PolarHBondContact O-N 3.24Å
228	L	76.6	Confident	79.9	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.026	28%	0.28	C	S	.	.			trans	-78.3	114.7	177.9	-167.9	77.2	0	0	0	110.5	T212 L225 A230 F248 R250	T212-L228 HydrophobicContact CG2-CD2 3.73Å; L225-L228 WeakPolarHBondContact O-CB 3.28Å; L228-A230 HydrophobicContact CD2-CB 4.2Å; L228-A230 HydrophobicContact CG-CB 4.32Å; L228-A230 PolarHBondContact O-N 2.9Å; L228-F248 HydrophobicContact CD2-CZ 4.11Å; L228-R250 HydrophobicContact CD1-CG 4.35Å; L228-R250 VanDerWaalsContact CD1-NE 3.28Å
229	E	80	Confident	80.2	Confident	82 Å²	82	51.5 Å²	51.5	38%	0.383	27%	0.265	S	S	.	.			trans	-83.7	104.7	168.1	-56.7	-159.1	142.8	0	0	109.3	R51 D227 T251 D252	R51-E229 IonicContact CZ-OE1 2.84Å; R51-E229 IonicContact NH1-OE1 2.69Å; R51-E229 PolarHBondContact NH1-OE1 2.93Å; R51-E229 IonicContact NH2-OE1 2.79Å; R51-E229 PolarHBondContact NH2-OE1 2.93Å; D227-E229 PolarHBondContact O-N 3.24Å; E229-T251 VanDerWaalsContact CB-OG1 3.3Å; E229-T251 WeakPolarHBondContact CB-OG1 3.29Å; E229-T251 PolarHBondContact O-N 3.05Å; E229-T251 PolarHBondContact O-OG1 3.45Å; E229-D252 HydrophobicContact CB-CB 4.15Å; E229-D252 PolarHBondContact O-N 3.25Å
230	A	84.7	Confident	80.6	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.033	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.7	176.7	0	0	0	0	0	111.9	V49 L228 F248 V249	V49-A230 HydrophobicContact CB-CB 4.44Å; V49-A230 HydrophobicContact CG2-CB 3.87Å; V49-A230 PolarHBondContact N-O 3.42Å; L228-A230 HydrophobicContact CD2-CB 4.2Å; L228-A230 HydrophobicContact CG-CB 4.32Å; L228-A230 PolarHBondContact O-N 2.9Å; A230-F248 HydrophobicContact CB-CE1 4.18Å; A230-F248 HydrophobicContact CB-CE2 3.61Å; A230-F248 HydrophobicContact CB-CZ 3.36Å; A230-V249 CarbonylContact C-O 3.59Å; A230-V249 VanDerWaalsContact CA-O 3.3Å; A230-V249 WeakPolarHBondContact CA-O 3.34Å
231	Q	87.2	Confident	81	Confident	78 Å²	78	49.7 Å²	49.7	36%	0.364	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.3	177	-54.8	-167.3	1.1	0	0	109.6	V46 N48 V249 T251	V46-Q231 HydrophobicContact CG1-CB 4.08Å; N48-Q231 VanDerWaalsContact OD1-CG 3.29Å; N48-Q231 WeakPolarHBondContact OD1-CG 3.42Å; Q231-V249 PolarHBondContact N-O 3.3Å; Q231-V249 PolarHBondContact O-N 3.46Å; Q231-T251 HydrophobicContact CG-CG2 3.9Å
232	V	89.2	Confident	81.4	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	115.4	176.1	-173.3	0	0	0	0	109	V46 V47 V49 I179 T247 F248 L268 L288	V46-V232 CarbonylContact C-O 3.46Å; V46-V232 WeakPolarHBondContact CA-O 3.37Å; V47-V232 PolarHBondContact N-O 2.87Å; V47-V232 PolarHBondContact O-N 2.83Å; V49-V232 HydrophobicContact CG2-CG2 4.4Å; I179-V232 HydrophobicContact CD1-CG1 3.38Å; V232-T247 CarbonylContact C-O 3.53Å; V232-T247 WeakPolarHBondContact CA-O 3.36Å; V232-F248 HydrophobicContact CG2-CD2 3.67Å; V232-F248 HydrophobicContact CG2-CE2 4.24Å; V232-L268 HydrophobicContact CG1-CD1 3.68Å; V232-L288 HydrophobicContact CB-CD2 4.13Å; V232-L288 HydrophobicContact CG2-CD2 3.59Å
233	Y	89.7	Confident	82	Confident	111 Å²	111	52.3 Å²	52.3	44%	0.435	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.9	166	179.2	-100.6	0	0	0	108.8	A44 R45 V46 G246 T247	A44-Y233 HydrophobicContact CB-CE2 3.94Å; R45-Y233 WeakPolarHBondContact O-CA 3.49Å; V46-Y233 HydrophobicContact CG2-CD2 4Å; Y233-G246 CarbonylContact O-C 2.99Å; Y233-G246 WeakPolarHBondContact O-CA 3.44Å; Y233-T247 PolarHBondContact N-O 3.27Å; Y233-T247 PolarHBondContact O-N 3.45Å
234	A	89.8	Confident	83	Confident	1 Å²	1	51 Å²	51	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	139.9	173.9	0	0	0	0	0	109.2	R45 F244 I290	R45-A234 PolarHBondContact N-O 2.77Å; R45-A234 PolarHBondContact O-N 3.48Å; A234-F244 HydrophobicContact CB-CE2 4.28Å; A234-F244 HydrophobicContact CB-CZ 4.2Å; A234-I290 HydrophobicContact CB-CD1 4.5Å; A234-I290 HydrophobicContact CB-CG2 4.49Å
235	E	91	Very high	83.6	Confident	16 Å²	16	56 Å²	56	8%	0.075	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-55.4	173.5	176	62.9	169.4	171.5	0	0	113.2	R238 F244 E245 Y291 R297	E235-R238 IonicContact OE2-NH1 3.44Å; E235-F244 HydrophobicContact CG-CD2 4.17Å; E235-F244 HydrophobicContact CG-CE2 4.29Å; E235-F244 WeakPolarHBondContact OE1-CA 3.38Å; E235-E245 WeakPolarHBondContact CB-O 3.37Å; E235-E245 PolarHBondContact N-O 3.28Å; E235-Y291 PolarHBondContact O-OH 3.07Å; E235-R297 IonicContact OE1-NH2 2.65Å; E235-R297 PolarHBondContact OE1-NH2 3.5Å
236	A	89.5	Confident	84.3	Confident	27 Å²	27	56.3 Å²	56.3	22%	0.223	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-66.8	142.6	171.3	0	0	0	0	0	110.3	R238	A236-R238 PolarHBondContact O-N 3.45Å; A236-R238 VanDerWaalsContact O-N 3.16Å
237	P	88.2	Confident	85	Confident	6 Å²	6	56 Å²	56	4%	0.039	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-50.5	122.4	173.8	-20	19.1	0	0	0	112.4	Y42 Y291 E295 M300	Y42-P237 HydrophobicContact CD1-CB 4.2Å; Y42-P237 HydrophobicContact CD1-CG 4.1Å; Y42-P237 HydrophobicContact CG-CB 4.34Å; Y42-P237 HydrophobicContact CG-CG 4.4Å; P237-Y291 HydrophobicContact CB-CD1 4.46Å; P237-Y291 HydrophobicContact CB-CE1 4.43Å; P237-Y291 HydrophobicContact CG-CD1 3.76Å; P237-Y291 HydrophobicContact CG-CE1 3.7Å; P237-Y291 HydrophobicContact CG-CG 4.48Å; P237-E295 HydrophobicContact CB-CB 4.36Å; P237-E295 HydrophobicContact CG-CB 4.2Å; P237-E295 HydrophobicContact CG-CG 4.47Å; P237-M300 HydrophobicContact CB-CE 3.4Å; P237-M300 HydrophobicContact CB-SD 4.32Å
238	R	86.3	Confident	85.8	Confident	146 Å²	146	50.6 Å²	50.6	55%	0.551	25%	0.247	S	C	*	.			trans	-124.7	158.3	179.2	-77.6	176.4	167.8	179.8	-5.7	111.2	E235 A236	E235-R238 IonicContact OE2-NH1 3.44Å; A236-R238 PolarHBondContact O-N 3.45Å; A236-R238 VanDerWaalsContact O-N 3.16Å
239	Q	80.5	Confident	86.2	Confident	115 Å²	115	52.3 Å²	52.3	54%	0.537	26%	0.257	S	S	.	.	S	Bend	trans	-75.1	-27.1	176.4	-73.9	177.6	6.7	0	0	113.4	I241 M300 N301	Q239-I241 PolarHBondContact O-N 2.82Å; Q239-M300 HydrophobicContact CG-CB 4.08Å; Q239-N301 PolarHBondContact O-ND2 2.64Å; Q239-N301 PolarHBondContact O-OD1 2.71Å
240	S	80.9	Confident	86.4	Confident	52 Å²	52	50.9 Å²	50.9	36%	0.364	25%	0.249	S	C	.	.			trans	-61.2	127.4	-179.8	-177.5	0	0	0	0	110.5	R297	S240-R297 PolarHBondContact O-NE 3.42Å; S240-R297 PolarHBondContact O-NH1 3.36Å
241	I	80.7	Confident	86	Confident	17 Å²	17	53.3 Å²	53.3	9%	0.087	26%	0.263	C	S	.	.	S	Bend	trans	-92.9	-17.8	179	53.2	165.9	0	0	0	113.1	L197 D198 Q239 I270 W275 R297 N301	L197-I241 HydrophobicContact CD1-CG2 4.18Å; L197-I241 HydrophobicContact CD2-CB 4.32Å; L197-I241 HydrophobicContact CD2-CG2 3.93Å; L197-I241 HydrophobicContact CG-CG2 4Å; D198-I241 HydrophobicContact CB-CD1 3.61Å; Q239-I241 PolarHBondContact O-N 2.82Å; I241-I270 WeakPolarHBondContact O-CD1 3.35Å; I241-W275 PolarHBondContact O-NE1 3.03Å; I241-R297 HydrophobicContact CG2-CB 4.42Å; I241-R297 PolarHBondContact O-NH1 3.18Å; I241-N301 WeakPolarHBondContact CG2-ND2 3.32Å
242	H	81.1	Confident	85.2	Confident	101 Å²	101	52.7 Å²	52.7	47%	0.468	26%	0.262	S	S	.	.	S	Bend	trans	-93.4	-16.9	-173.1	-61.7	-63	0	0	0	114	I270	H242-I270 VanDerWaalsContact C-CD1 3.48Å; H242-I270 WeakPolarHBondContact O-CD1 3.33Å
243	N	82.8	Confident	84.2	Confident	107 Å²	107	55.2 Å²	55.2	57%	0.572	28%	0.277	S	S	*	.			trans	-115.6	139.9	-179.9	-60.8	-6.6	0	0	0	109.1	R297	N243-R297 PolarHBondContact O-NH1 2.93Å; N243-R297 PolarHBondContact O-NH2 2.87Å
244	F	88.9	Confident	82.7	Confident	7 Å²	7	56.5 Å²	56.5	3%	0.031	29%	0.292	C	S	.	.			trans	-152.6	134.7	168.4	173.4	-103.5	0	0	0	108.3	I179 A234 E235 L268 T273 W275 I290	I179-F244 HydrophobicContact CD1-CE1 4.43Å; I179-F244 HydrophobicContact CD1-CZ 4.09Å; I179-F244 HydrophobicContact CG1-CZ 4.46Å; A234-F244 HydrophobicContact CB-CE2 4.28Å; A234-F244 HydrophobicContact CB-CZ 4.2Å; E235-F244 HydrophobicContact CG-CD2 4.17Å; E235-F244 HydrophobicContact CG-CE2 4.29Å; E235-F244 WeakPolarHBondContact OE1-CA 3.38Å; F244-L268 HydrophobicContact CE1-CB 4.05Å; F244-T273 HydrophobicContact CB-CG2 4.21Å; F244-T273 HydrophobicContact CD1-CG2 3.28Å; F244-T273 HydrophobicContact CD2-CG2 4.43Å; F244-T273 HydrophobicContact CE1-CG2 3.63Å; F244-T273 HydrophobicContact CG-CG2 3.71Å; F244-T273 HydrophobicContact CZ-CG2 4.33Å; F244-W275 HydrophobicContact CB-CH2 3.94Å; F244-W275 HydrophobicContact CB-CZ2 3.87Å; F244-W275 AromaticContact CD2-CH2 3.6Å; F244-W275 HydrophobicContact CD2-CH2 3.6Å; F244-W275 HydrophobicContact CD2-CZ2 4.4Å; F244-W275 HydrophobicContact CE2-CH2 4.22Å; F244-W275 AromaticContact CG-CH2 3.79Å; F244-W275 HydrophobicContact CG-CH2 3.79Å; F244-W275 HydrophobicContact CG-CZ2 4.2Å; F244-I290 HydrophobicContact CE2-CD1 3.93Å; F244-I290 HydrophobicContact CZ-CD1 4.05Å
245	E	88.2	Confident	81.2	Confident	129 Å²	129	59.6 Å²	59.6	60%	0.603	31%	0.312	S	S	*	.			trans	-126	127.6	177.5	-67.8	173.8	-166.1	0	0	109.2	E235	E235-E245 WeakPolarHBondContact CB-O 3.37Å; E235-E245 PolarHBondContact N-O 3.28Å
246	G	88.6	Confident	79.6	Confident	6 Å²	6	65.2 Å²	65.2	6%	0.062	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	172.2	174.2	0	0	0	0	0	111.9	Y233 L268	Y233-G246 CarbonylContact O-C 2.99Å; Y233-G246 WeakPolarHBondContact O-CA 3.44Å; G246-L268 PolarHBondContact N-O 3.18Å; G246-L268 WeakPolarHBondContact O-CB 3.39Å; G246-L268 PolarHBondContact O-N 3.3Å
247	T	88.7	Confident	78	Confident	51 Å²	51	65.5 Å²	65.5	31%	0.313	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130	176.8	-49.5	0	0	0	0	108.9	V232 Y233 V249	V232-T247 CarbonylContact C-O 3.53Å; V232-T247 WeakPolarHBondContact CA-O 3.36Å; Y233-T247 PolarHBondContact N-O 3.27Å; Y233-T247 PolarHBondContact O-N 3.45Å; T247-V249 HydrophobicContact CG2-CG2 3.9Å
248	F	88.7	Confident	76.5	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.2	168.8	178.7	-90.1	0	0	0	108.6	V49 I209 T212 L228 A230 V232 R250 E265 V266 L268	V49-F248 HydrophobicContact CG2-CE2 4.31Å; I209-F248 HydrophobicContact CD1-CB 4.14Å; I209-F248 HydrophobicContact CD1-CD2 3.48Å; I209-F248 VanDerWaalsContact CD1-CD2 3.48Å; I209-F248 HydrophobicContact CD1-CE2 4.03Å; I209-F248 HydrophobicContact CD1-CG 3.86Å; I209-F248 HydrophobicContact CG2-CD1 4.14Å; I209-F248 HydrophobicContact CG2-CE1 4.45Å; I209-F248 HydrophobicContact CG2-CG 4.27Å; T212-F248 HydrophobicContact CG2-CE1 4.11Å; T212-F248 HydrophobicContact CG2-CE2 3.94Å; T212-F248 HydrophobicContact CG2-CZ 3.46Å; T212-F248 VanDerWaalsContact CG2-CZ 3.46Å; L228-F248 HydrophobicContact CD2-CZ 4.11Å; A230-F248 HydrophobicContact CB-CE1 4.18Å; A230-F248 HydrophobicContact CB-CE2 3.61Å; A230-F248 HydrophobicContact CB-CZ 3.36Å; V232-F248 HydrophobicContact CG2-CD2 3.67Å; V232-F248 HydrophobicContact CG2-CE2 4.24Å; F248-R250 HydrophobicContact CE1-CB 4.17Å; F248-E265 CarbonylContact O-C 3.31Å; F248-E265 WeakPolarHBondContact O-CA 3.43Å; F248-V266 HydrophobicContact CB-CB 4.37Å; F248-V266 PolarHBondContact N-O 2.74Å; F248-V266 PolarHBondContact O-N 2.92Å; F248-L268 HydrophobicContact CB-CD1 4.03Å; F248-L268 HydrophobicContact CB-CD2 4.14Å; F248-L268 HydrophobicContact CB-CG 4.11Å
249	V	86.3	Confident	74.9	Confident	41 Å²	41	68.6 Å²	68.6	25%	0.248	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.6	178.2	-178.7	0	0	0	0	108.9	A230 Q231 T247 E265	A230-V249 CarbonylContact C-O 3.59Å; A230-V249 VanDerWaalsContact CA-O 3.3Å; A230-V249 WeakPolarHBondContact CA-O 3.34Å; Q231-V249 PolarHBondContact N-O 3.3Å; Q231-V249 PolarHBondContact O-N 3.46Å; T247-V249 HydrophobicContact CG2-CG2 3.9Å; V249-E265 HydrophobicContact CG1-CG 4.19Å; V249-E265 HydrophobicContact CG2-CG 4.13Å
250	R	82.8	Confident	73.6	Confident	53 Å²	53	66.1 Å²	66.1	20%	0.2	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.8	175.2	-179.3	170.7	-178.5	176.2	4	109.6	L228 F248 D252 V253 S264	L228-R250 HydrophobicContact CD1-CG 4.35Å; L228-R250 VanDerWaalsContact CD1-NE 3.28Å; F248-R250 HydrophobicContact CE1-CB 4.17Å; R250-D252 VanDerWaalsContact CD-OD1 3.3Å; R250-D252 WeakPolarHBondContact CD-OD1 3.45Å; R250-D252 WeakPolarHBondContact CG-OD1 3.3Å; R250-D252 IonicContact CZ-OD1 2.86Å; R250-D252 IonicContact CZ-OD2 3.92Å; R250-D252 VanDerWaalsContact CZ-OD2 3.27Å; R250-D252 VanDerWaalsContact NE-CG 3.27Å; R250-D252 IonicContact NE-OD1 2.72Å; R250-D252 PolarHBondContact NE-OD1 2.95Å; R250-D252 IonicContact NE-OD2 3.04Å; R250-D252 PolarHBondContact NE-OD2 3.09Å; R250-D252 IonicContact NH2-OD1 3.43Å; R250-D252 IonicContact NH2-OD2 2.64Å; R250-D252 PolarHBondContact NH2-OD2 3.48Å; R250-V253 HydrophobicContact CG-CG2 4.31Å; R250-S264 WeakPolarHBondContact CB-O 3.34Å; R250-S264 PolarHBondContact N-O 3.41Å
251	T	76.5	Confident	72.1	Confident	55 Å²	55	65.8 Å²	65.8	34%	0.337	37%	0.373	S	S	.	.	S	Bend	trans	-96.7	-12.1	-172.3	56.7	0	0	0	0	114.9	E229 Q231 V253	E229-T251 VanDerWaalsContact CB-OG1 3.3Å; E229-T251 WeakPolarHBondContact CB-OG1 3.29Å; E229-T251 PolarHBondContact O-N 3.05Å; E229-T251 PolarHBondContact O-OG1 3.45Å; Q231-T251 HydrophobicContact CG-CG2 3.9Å; T251-V253 VanDerWaalsContact C-N 3.29Å
252	D	70.8	Confident	70.8	Confident	65 Å²	65	73 Å²	73	35%	0.348	41%	0.406	S	S	.	.	S	Bend	trans	-74.8	-18.4	174.4	61.2	-33.5	0	0	0	113	E229 R250	E229-D252 HydrophobicContact CB-CB 4.15Å; E229-D252 PolarHBondContact O-N 3.25Å; R250-D252 VanDerWaalsContact CD-OD1 3.3Å; R250-D252 WeakPolarHBondContact CD-OD1 3.45Å; R250-D252 WeakPolarHBondContact CG-OD1 3.3Å; R250-D252 IonicContact CZ-OD1 2.86Å; R250-D252 IonicContact CZ-OD2 3.92Å; R250-D252 VanDerWaalsContact CZ-OD2 3.27Å; R250-D252 VanDerWaalsContact NE-CG 3.27Å; R250-D252 IonicContact NE-OD1 2.72Å; R250-D252 PolarHBondContact NE-OD1 2.95Å; R250-D252 IonicContact NE-OD2 3.04Å; R250-D252 PolarHBondContact NE-OD2 3.09Å; R250-D252 IonicContact NH2-OD1 3.43Å; R250-D252 IonicContact NH2-OD2 2.64Å; R250-D252 PolarHBondContact NH2-OD2 3.48Å
253	V	67.8	Low	69.7	Low	53 Å²	53	70.9 Å²	70.9	32%	0.321	41%	0.406	S	S	.	.	S	Bend	trans	-102.9	112.8	175.9	-175.6	0	0	0	0	108.5	R250 T251 P255	R250-V253 HydrophobicContact CG-CG2 4.31Å; T251-V253 VanDerWaalsContact C-N 3.29Å; V253-P255 VanDerWaalsContact O-CD 3.23Å; V253-P255 WeakPolarHBondContact O-CD 3.42Å
254	N	59	Low	69.1	Low	139 Å²	139	66 Å²	66	74%	0.743	38%	0.38	S	S	*	.			trans	-75.8	113	163.9	-79.8	-23.2	0	0	0	107.5	T256	N254-T256 PolarHBondContact O-N 3.1Å
255	P	59	Low	68.6	Low	65 Å²	65	70.9 Å²	70.9	42%	0.422	40%	0.404	S	S	.	.			trans	-67.9	101.6	179.6	26.6	-32	0	0	0	109.1	V253 S257 D260	V253-P255 VanDerWaalsContact O-CD 3.23Å; V253-P255 WeakPolarHBondContact O-CD 3.42Å; P255-S257 VanDerWaalsContact C-N 3.28Å; P255-D260 HydrophobicContact CB-CB 4.38Å
256	T	56.7	Low	68.4	Low	135 Å²	135	66 Å²	66	83%	0.828	38%	0.382	S	S	*	.			trans	-78.1	-15.6	172.5	35.7	0	0	0	0	112.4	N254	N254-T256 PolarHBondContact O-N 3.1Å
257	S	55.6	Low	68.2	Low	32 Å²	32	69.6 Å²	69.6	22%	0.224	41%	0.407	C	S	.	.	S	Bend	trans	-135.5	150.6	-178.9	77.2	0	0	0	0	112.1	P255 T259 D260 S261	P255-S257 VanDerWaalsContact C-N 3.28Å; S257-T259 PolarHBondContact O-N 3.41Å; S257-T259 PolarHBondContact OG-OG1 2.65Å; S257-D260 WeakPolarHBondContact O-CB 3.19Å; S257-D260 PolarHBondContact O-N 3.11Å; S257-D260 PolarHBondContact OG-N 2.9Å; S257-D260 VanDerWaalsContact OG-N 3.16Å; S257-D260 PolarHBondContact OG-OD2 3.09Å; S257-S261 PolarHBondContact O-N 2.85Å; S257-S261 VanDerWaalsContact O-N 3.14Å; S257-S261 PolarHBondContact O-OG 3.45Å
258	P	57.5	Low	68.2	Low	112 Å²	112	67.1 Å²	67.1	73%	0.727	39%	0.392	S	S	*	.	H	α-helix	trans	-62.5	-24.9	176.2	23.1	-31.6	0	0	0	113.1	S261	P258-S261 WeakPolarHBondContact O-CB 3.26Å; P258-S261 PolarHBondContact O-N 3.39Å
259	T	52.8	Low	68.1	Low	106 Å²	106	71 Å²	71	65%	0.65	41%	0.413	S	S	*	.	H	α-helix	trans	-71.7	-30	172	41.4	0	0	0	0	112.9	S257	S257-T259 PolarHBondContact O-N 3.41Å; S257-T259 PolarHBondContact OG-OG1 2.65Å
260	D	51.8	Low	68.2	Low	63 Å²	63	70.8 Å²	70.8	34%	0.337	41%	0.409	S	S	.	.	H	α-helix	trans	-78.5	-23.8	173.4	-62.7	-40.6	0	0	0	111.9	P255 S257 A263 S264	P255-D260 HydrophobicContact CB-CB 4.38Å; S257-D260 WeakPolarHBondContact O-CB 3.19Å; S257-D260 PolarHBondContact O-N 3.11Å; S257-D260 PolarHBondContact OG-N 2.9Å; S257-D260 VanDerWaalsContact OG-N 3.16Å; S257-D260 PolarHBondContact OG-OD2 3.09Å; D260-A263 PolarHBondContact O-N 2.92Å; D260-S264 WeakPolarHBondContact O-CB 3.38Å; D260-S264 PolarHBondContact O-N 2.71Å; D260-S264 PolarHBondContact O-OG 3.46Å
261	S	50.6	Low	68.4	Low	45 Å²	45	71.4 Å²	71.4	32%	0.315	42%	0.417	S	S	.	.	H	α-helix	trans	-61.6	-43.2	174.2	-58.9	0	0	0	0	112	S257 P258 A263 S264 E265	S257-S261 PolarHBondContact O-N 2.85Å; S257-S261 VanDerWaalsContact O-N 3.14Å; S257-S261 PolarHBondContact O-OG 3.45Å; P258-S261 WeakPolarHBondContact O-CB 3.26Å; P258-S261 PolarHBondContact O-N 3.39Å; S261-A263 VanDerWaalsContact C-N 3.27Å; S261-A263 PolarHBondContact O-N 3.33Å; S261-S264 WeakPolarHBondContact CA-OG 3.26Å; S261-S264 PolarHBondContact O-N 3.01Å; S261-S264 PolarHBondContact O-OG 3.06Å; S261-S264 VanDerWaalsContact O-OG 3.05Å; S261-E265 PolarHBondContact O-N 3.47Å
262	E	52.2	Low	69.1	Low	167 Å²	167	70.1 Å²	70.1	78%	0.78	41%	0.407	S	S	*	.	H	α-helix	trans	-67.5	-26.3	175.2	-68	-173	172.2	0	0	113
263	A	58.8	Low	70.1	Confident	57 Å²	57	67 Å²	67	47%	0.471	39%	0.39	S	S	.	.	H	α-helix	trans	-82.3	-17.7	176.3	0	0	0	0	0	113.3	T211 D260 S261	T211-A263 VanDerWaalsContact CG2-O 3.22Å; T211-A263 WeakPolarHBondContact CG2-O 3.13Å; D260-A263 PolarHBondContact O-N 2.92Å; S261-A263 VanDerWaalsContact C-N 3.27Å; S261-A263 PolarHBondContact O-N 3.33Å
264	S	70.1	Confident	71.3	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.028	38%	0.375	C	S	.	.	H	α-helix	trans	-100.4	-30.1	-178.6	48.2	0	0	0	0	113	R250 D260 S261	R250-S264 WeakPolarHBondContact CB-O 3.34Å; R250-S264 PolarHBondContact N-O 3.41Å; D260-S264 WeakPolarHBondContact O-CB 3.38Å; D260-S264 PolarHBondContact O-N 2.71Å; D260-S264 PolarHBondContact O-OG 3.46Å; S261-S264 WeakPolarHBondContact CA-OG 3.26Å; S261-S264 PolarHBondContact O-N 3.01Å; S261-S264 PolarHBondContact O-OG 3.06Å; S261-S264 VanDerWaalsContact O-OG 3.05Å
265	E	78.8	Confident	72.9	Confident	111 Å²	111	58 Å²	58	52%	0.519	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.2	179	-60.2	-169.5	172.5	0	0	111.8	F248 V249 S261	F248-E265 CarbonylContact O-C 3.31Å; F248-E265 WeakPolarHBondContact O-CA 3.43Å; V249-E265 HydrophobicContact CG1-CG 4.19Å; V249-E265 HydrophobicContact CG2-CG 4.13Å; S261-E265 PolarHBondContact O-N 3.47Å
266	V	83.8	Confident	74.4	Confident	25 Å²	25	55.1 Å²	55.1	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.8	178.9	-179.5	0	0	0	0	109.5	I209 T211 F248	I209-V266 HydrophobicContact CG2-CB 4.47Å; I209-V266 HydrophobicContact CG2-CG1 4.48Å; I209-V266 HydrophobicContact CG2-CG2 4.42Å; T211-V266 HydrophobicContact CG2-CG2 3.94Å; F248-V266 HydrophobicContact CB-CB 4.37Å; F248-V266 PolarHBondContact N-O 2.74Å; F248-V266 PolarHBondContact O-N 2.92Å
267	S	84.7	Confident	75.8	Confident	82 Å²	82	50.6 Å²	50.6	57%	0.573	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.3	170.3	-179	0	0	0	0	110.3
268	L	88	Confident	77.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.1	-178.9	-59.6	173.5	0	0	0	110.3	I179 I209 V232 F244 G246 F248 H272	I179-L268 HydrophobicContact CD1-CD1 3.95Å; I179-L268 HydrophobicContact CG2-CD1 4.26Å; I209-L268 HydrophobicContact CD1-CD2 3.79Å; I209-L268 HydrophobicContact CG1-CD2 3.72Å; V232-L268 HydrophobicContact CG1-CD1 3.68Å; F244-L268 HydrophobicContact CE1-CB 4.05Å; G246-L268 PolarHBondContact N-O 3.18Å; G246-L268 WeakPolarHBondContact O-CB 3.39Å; G246-L268 PolarHBondContact O-N 3.3Å; F248-L268 HydrophobicContact CB-CD1 4.03Å; F248-L268 HydrophobicContact CB-CD2 4.14Å; F248-L268 HydrophobicContact CB-CG 4.11Å; L268-H272 HydrophobicContact CD2-CB 3.95Å
269	N	87.2	Confident	78.9	Confident	82 Å²	82	44.1 Å²	44.1	44%	0.439	25%	0.249	S	C	.	.			trans	-102.7	-178.6	169.8	-64.8	-20.4	0	0	0	111.4	D271 H272	N269-D271 PolarHBondContact O-N 3Å; N269-H272 PolarHBondContact O-N 3.36Å
270	I	87.3	Confident	80.6	Confident	35 Å²	35	39.1 Å²	39.1	18%	0.179	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-51.5	-31.1	175.8	-172.5	161.6	0	0	0	113.8	R206 I241 H242 H272 T273	R206-I270 WeakPolarHBondContact CD-O 3.47Å; R206-I270 PolarHBondContact NE-O 3.28Å; I241-I270 WeakPolarHBondContact O-CD1 3.35Å; H242-I270 VanDerWaalsContact C-CD1 3.48Å; H242-I270 WeakPolarHBondContact O-CD1 3.33Å; I270-H272 PolarHBondContact O-N 3.21Å; I270-H272 VanDerWaalsContact O-N 3.15Å; I270-T273 PolarHBondContact O-N 3.44Å; I270-T273 VanDerWaalsContact O-N 3.08Å; I270-T273 PolarHBondContact O-OG1 3.05Å
271	D	87.2	Confident	81.9	Confident	67 Å²	67	36.5 Å²	36.5	36%	0.358	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-64.7	-19.4	-178.7	-62.3	-28.3	0	0	0	113.1	R206 Y207 N269	R206-D271 CarbonylContact C-O 3.59Å; R206-D271 WeakPolarHBondContact CA-O 3.28Å; R206-D271 WeakPolarHBondContact CB-O 3.21Å; R206-D271 WeakPolarHBondContact CD-O 3.25Å; R206-D271 IonicContact NH1-OD1 2.8Å; Y207-D271 HydrophobicContact CD2-CB 4.14Å; Y207-D271 PolarHBondContact N-O 3.01Å; N269-D271 PolarHBondContact O-N 3Å
272	H	91.1	Very high	83.1	Confident	27 Å²	27	35.4 Å²	35.4	13%	0.125	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-96.8	10.8	177.5	-56.2	98.6	0	0	0	113.5	I179 L180 Y207 L268 N269 I270	I179-H272 CarbonylContact C-O 3.58Å; I179-H272 WeakPolarHBondContact CA-O 3.4Å; I179-H272 WeakPolarHBondContact CG2-O 3.07Å; L180-H272 PolarHBondContact N-O 3.4Å; Y207-H272 WeakPolarHBondContact O-CA 3.35Å; Y207-H272 PolarHBondContact O-CD2 3.13Å; L268-H272 HydrophobicContact CD2-CB 3.95Å; N269-H272 PolarHBondContact O-N 3.36Å; I270-H272 PolarHBondContact O-N 3.21Å; I270-H272 VanDerWaalsContact O-N 3.15Å
273	T	92.8	Very high	84.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.7	-172.2	66	0	0	0	0	113.1	R206 F244 I270 W275	R206-T273 WeakPolarHBondContact CD-O 3.28Å; R206-T273 PolarHBondContact NE-O 3.37Å; F244-T273 HydrophobicContact CB-CG2 4.21Å; F244-T273 HydrophobicContact CD1-CG2 3.28Å; F244-T273 HydrophobicContact CD2-CG2 4.43Å; F244-T273 HydrophobicContact CE1-CG2 3.63Å; F244-T273 HydrophobicContact CG-CG2 3.71Å; F244-T273 HydrophobicContact CZ-CG2 4.33Å; I270-T273 PolarHBondContact O-N 3.44Å; I270-T273 VanDerWaalsContact O-N 3.08Å; I270-T273 PolarHBondContact O-OG1 3.05Å; T273-W275 VanDerWaalsContact CB-CZ2 3.48Å; T273-W275 HydrophobicContact CG2-CH2 3.61Å; T273-W275 HydrophobicContact CG2-CZ2 3.71Å; T273-W275 HydrophobicContact CG2-CZ3 4.4Å; T273-W275 VanDerWaalsContact OG1-CE2 3.28Å; T273-W275 WeakPolarHBondContact OG1-CZ2 3.44Å
274	L	92.7	Very high	85.9	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	111.4	167.9	-50.7	168.4	0	0	0	108.1	L168 V174 M178 L180 I192 R206	L168-L274 HydrophobicContact CD1-CD1 3.95Å; V174-L274 HydrophobicContact CG1-CB 4.2Å; V174-L274 HydrophobicContact CG2-CB 4.14Å; M178-L274 HydrophobicContact CG-CB 3.59Å; M178-L274 HydrophobicContact CG-CD1 3.91Å; M178-L274 HydrophobicContact CG-CG 4.24Å; M178-L274 WeakPolarHBondContact CG-O 3.47Å; M178-L274 PolarHBondContact N-O 3.24Å; M178-L274 PolarHBondContact O-N 3.36Å; M178-L274 HydrophobicContact SD-CB 4.25Å; M178-L274 HydrophobicContact SD-CD1 3.7Å; L180-L274 HydrophobicContact CB-CD1 4.34Å; L180-L274 HydrophobicContact CB-CG 4.17Å; L180-L274 HydrophobicContact CD1-CD1 3.98Å; I192-L274 HydrophobicContact CG2-CD2 3.47Å; I192-L274 VanDerWaalsContact CG2-CD2 3.47Å; R206-L274 HydrophobicContact CG-CD2 4.41Å
275	W	93.1	Very high	86.9	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.008	15%	0.154	C	C	.	.			trans	-81.1	147	-179.7	-56.4	129.9	0	0	0	111.6	V174 D177 L197 I241 F244 T273 T278 I290 R297	V174-W275 VanDerWaalsContact CB-O 3.3Å; V174-W275 WeakPolarHBondContact CB-O 3.49Å; V174-W275 WeakPolarHBondContact CG1-O 3.29Å; D177-W275 HydrophobicContact CB-CE3 3.8Å; D177-W275 HydrophobicContact CB-CZ3 4.07Å; L197-W275 HydrophobicContact CD2-CB 3.77Å; L197-W275 HydrophobicContact CD2-CG 4.04Å; I241-W275 PolarHBondContact O-NE1 3.03Å; F244-W275 HydrophobicContact CB-CH2 3.94Å; F244-W275 HydrophobicContact CB-CZ2 3.87Å; F244-W275 AromaticContact CD2-CH2 3.6Å; F244-W275 HydrophobicContact CD2-CH2 3.6Å; F244-W275 HydrophobicContact CD2-CZ2 4.4Å; F244-W275 HydrophobicContact CE2-CH2 4.22Å; F244-W275 AromaticContact CG-CH2 3.79Å; F244-W275 HydrophobicContact CG-CH2 3.79Å; F244-W275 HydrophobicContact CG-CZ2 4.2Å; T273-W275 VanDerWaalsContact CB-CZ2 3.48Å; T273-W275 HydrophobicContact CG2-CH2 3.61Å; T273-W275 HydrophobicContact CG2-CZ2 3.71Å; T273-W275 HydrophobicContact CG2-CZ3 4.4Å; T273-W275 VanDerWaalsContact OG1-CE2 3.28Å; T273-W275 WeakPolarHBondContact OG1-CZ2 3.44Å; W275-T278 HydrophobicContact CB-CG2 3.96Å; W275-T278 WeakPolarHBondContact O-CB 3.33Å; W275-T278 WeakPolarHBondContact O-CG2 3.5Å; W275-T278 PolarHBondContact O-N 3.46Å; W275-T278 PolarHBondContact O-OG1 3.32Å; W275-I290 HydrophobicContact CZ3-CD1 4.31Å; W275-R297 HydrophobicContact CE3-CG 4.46Å
276	S	90.1	Very high	87.5	Confident	4 Å²	4	21.3 Å²	21.3	3%	0.028	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	147.5	169.9	54.6	0	0	0	0	111.7	V174 D177 T278 T296 A298	V174-S276 WeakPolarHBondContact O-CA 3.32Å; D177-S276 VanDerWaalsContact OD1-CB 3.23Å; D177-S276 WeakPolarHBondContact OD1-CB 3.26Å; D177-S276 PolarHBondContact OD1-N 2.91Å; D177-S276 PolarHBondContact OD1-OG 3.26Å; S276-T278 PolarHBondContact O-N 2.98Å; S276-T278 VanDerWaalsContact O-N 3.1Å; S276-T296 WeakPolarHBondContact OG-CB 3.49Å; S276-A298 WeakPolarHBondContact OG-CB 3.21Å
277	N	85.7	Confident	87.9	Confident	40 Å²	40	20.1 Å²	20.1	21%	0.214	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	-5.7	-174.6	-71.2	-22.4	0	0	0	117	V174 A298 Q832	V174-N277 PolarHBondContact O-N 3.39Å; N277-A298 HydrophobicContact CB-CB 4.24Å; N277-Q832 PolarHBondContact ND2-NE2 3.21Å; N277-Q832 VanDerWaalsContact ND2-NE2 3.15Å; N277-Q832 PolarHBondContact OD1-NE2 2.71Å; N277-Q832 VanDerWaalsContact OD1-NE2 3.14Å
278	T	88.7	Confident	88.3	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.006	10%	0.095	C	C	.	.			trans	-72	157.5	166.8	67.5	0	0	0	0	110.4	V174 R193 T194 L197 W275 S276	V174-T278 WeakPolarHBondContact CG2-O 3.36Å; V174-T278 WeakPolarHBondContact CG2-OG1 3.34Å; V174-T278 PolarHBondContact N-O 3.09Å; R193-T278 WeakPolarHBondContact O-CA 3.34Å; R193-T278 VanDerWaalsContact O-CB 3.31Å; R193-T278 WeakPolarHBondContact O-CB 3.34Å; T194-T278 HydrophobicContact CG2-CG2 3.97Å; L197-T278 HydrophobicContact CD2-CG2 4.25Å; W275-T278 HydrophobicContact CB-CG2 3.96Å; W275-T278 WeakPolarHBondContact O-CB 3.33Å; W275-T278 WeakPolarHBondContact O-CG2 3.5Å; W275-T278 PolarHBondContact O-N 3.46Å; W275-T278 PolarHBondContact O-OG1 3.32Å; S276-T278 PolarHBondContact O-N 2.98Å; S276-T278 VanDerWaalsContact O-N 3.1Å
279	V	88.6	Confident	88.6	Confident	7 Å²	7	16.2 Å²	16.2	4%	0.042	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.1	-179.2	-177.6	0	0	0	0	109.7	I192 R193 A281	I192-V279 WeakPolarHBondContact CA-O 3.27Å; R193-V279 PolarHBondContact N-O 3.43Å; R193-V279 PolarHBondContact O-N 2.81Å; V279-A281 PolarHBondContact O-N 2.97Å
280	L	88.2	Confident	88.8	Confident	1 Å²	1	12.3 Å²	12.3	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	117.4	173.2	-174.2	68.5	0	0	0	108.9	L168 N171 Q172 C190 A285	L168-L280 HydrophobicContact CB-CD2 3.98Å; N171-L280 VanDerWaalsContact CA-O 3.29Å; N171-L280 WeakPolarHBondContact CA-O 3.19Å; N171-L280 PolarHBondContact N-O 3.32Å; Q172-L280 PolarHBondContact O-N 2.9Å; Q172-L280 VanDerWaalsContact O-N 3.13Å; C190-L280 HydrophobicContact CB-CD1 4.1Å; L280-A285 HydrophobicContact CD1-CB 3.98Å; L280-A285 HydrophobicContact CD2-CB 3.76Å
281	A	80.2	Confident	89.1	Confident	9 Å²	9	10.8 Å²	10.8	7%	0.074	7%	0.066	C	C	.	.			trans	-84	-33.1	-175.8	0	0	0	0	0	112.5	K170 F191 R193 V279	K170-A281 WeakPolarHBondContact CE-O 3.31Å; K170-A281 WeakPolarHBondContact CG-O 3.41Å; F191-A281 HydrophobicContact CB-CB 4.11Å; F191-A281 WeakPolarHBondContact O-CB 3.29Å; F191-A281 PolarHBondContact O-N 3.29Å; R193-A281 HydrophobicContact CG-CB 4.3Å; V279-A281 PolarHBondContact O-N 2.97Å
282	T	75.3	Confident	89.4	Confident	21 Å²	21	7.6 Å²	7.6	13%	0.129	5%	0.049	C	C	.	.	S	Bend	trans	-138.1	144.6	-170.3	58.6	0	0	0	0	112.8	F191	F191-T282 HydrophobicContact CB-CG2 4.47Å; F191-T282 HydrophobicContact CD2-CG2 4.36Å; F191-T282 PolarHBondContact N-OG1 3.38Å
283	G	81.6	Confident	89.2	Confident	25 Å²	25	6.6 Å²	6.6	26%	0.258	5%	0.047	S	C	.	.	S	Bend	trans	63.2	-161.1	175	0	0	0	0	0	114.3	K170 S184	K170-G283 WeakPolarHBondContact CA-O 3.2Å; K170-G283 PolarHBondContact N-O 3.49Å; K170-G283 VanDerWaalsContact N-O 3.15Å; S184-G283 VanDerWaalsContact OG-CA 3.25Å; S184-G283 WeakPolarHBondContact OG-CA 3.24Å
284	S	88.8	Confident	88.9	Confident	18 Å²	18	8.9 Å²	8.9	13%	0.126	6%	0.062	C	C	.	.			trans	-117.1	140.6	170.8	-45.9	0	0	0	0	108.4	L168 E169 T183 S184	L168-S284 CarbonylContact O-C 3.57Å; L168-S284 VanDerWaalsContact O-CA 3.26Å; L168-S284 WeakPolarHBondContact O-CA 3.47Å; E169-S284 PolarHBondContact OE2-OG 3.5Å; T183-S284 CarbonylContact C-O 3.15Å; T183-S284 WeakPolarHBondContact CA-O 3.32Å; S184-S284 PolarHBondContact N-O 2.86Å; S184-S284 PolarHBondContact OG-N 3.47Å
285	A	91.2	Very high	88.7	Confident	0 Å²	0	10 Å²	10	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152	-179.1	0	0	0	0	0	110.9	L168 L180 W182 L280	L168-A285 PolarHBondContact N-O 3.01Å; L168-A285 PolarHBondContact O-N 3.37Å; L180-A285 HydrophobicContact CD1-CB 3.74Å; W182-A285 CarbonylContact O-C 3.6Å; W182-A285 WeakPolarHBondContact O-CA 3.04Å; L280-A285 HydrophobicContact CD1-CB 3.98Å; L280-A285 HydrophobicContact CD2-CB 3.76Å
286	I	91.8	Very high	88.5	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.2	172.4	-62.5	170.5	0	0	0	108	Y147 L165 I166 I181 W182 P222 L225	Y147-I286 HydrophobicContact CD2-CD1 4.23Å; Y147-I286 HydrophobicContact CE2-CD1 3.57Å; Y147-I286 HydrophobicContact CE2-CG1 3.94Å; L165-I286 HydrophobicContact CD2-CG2 4.44Å; I166-I286 WeakPolarHBondContact O-CA 3.43Å; I181-I286 PolarHBondContact N-O 2.96Å; W182-I286 HydrophobicContact CB-CB 4.34Å; W182-I286 HydrophobicContact CD2-CD1 4.32Å; W182-I286 HydrophobicContact CE3-CB 4.49Å; W182-I286 HydrophobicContact CE3-CD1 3.61Å; W182-I286 HydrophobicContact CE3-CG1 3.83Å; W182-I286 HydrophobicContact CZ3-CD1 4.21Å; W182-I286 HydrophobicContact CZ3-CG1 4.44Å; W182-I286 PolarHBondContact N-O 3.16Å; W182-I286 PolarHBondContact O-N 3.33Å; P222-I286 HydrophobicContact CB-CD1 3.41Å; P222-I286 VanDerWaalsContact CB-CD1 3.41Å; P222-I286 HydrophobicContact CG-CD1 4.41Å; L225-I286 HydrophobicContact CD1-CD1 4.06Å; L225-I286 HydrophobicContact CD1-CG2 4.1Å
287	G	92.5	Very high	88.4	Confident	0 Å²	0	10 Å²	10	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	146.3	178.4	0	0	0	0	0	113.8	I166 I179	I166-G287 PolarHBondContact N-O 2.84Å; I166-G287 PolarHBondContact O-N 3.44Å; I179-G287 CarbonylContact O-C 3.59Å; I179-G287 WeakPolarHBondContact O-CA 3.35Å
288	L	92.5	Very high	88.3	Confident	0 Å²	0	8.8 Å²	8.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.7	171.8	177	74.2	0	0	0	110.6	V47 V49 L165 M178 I179 I181 V232 I290	V47-L288 HydrophobicContact CG1-CD1 4.35Å; V47-L288 HydrophobicContact CG1-CD2 4.2Å; V47-L288 HydrophobicContact CG1-CG 4.37Å; V49-L288 HydrophobicContact CG2-CD2 4.12Å; L165-L288 HydrophobicContact CD2-CB 4.2Å; L165-L288 HydrophobicContact CD2-CD1 4.01Å; M178-L288 CarbonylContact C-O 3.45Å; M178-L288 WeakPolarHBondContact CA-O 3.36Å; M178-L288 WeakPolarHBondContact CB-O 3.34Å; I179-L288 PolarHBondContact N-O 3.48Å; I179-L288 PolarHBondContact O-N 3.39Å; I181-L288 HydrophobicContact CD1-CB 3.54Å; I181-L288 HydrophobicContact CD1-CG 4.49Å; I181-L288 HydrophobicContact CG1-CB 4.23Å; V232-L288 HydrophobicContact CB-CD2 4.13Å; V232-L288 HydrophobicContact CG2-CD2 3.59Å; L288-I290 PolarHBondContact O-N 3.4Å
289	V	93.3	Very high	88.1	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.1	-178.7	179.7	0	0	0	0	111.4	I160 V162 G163 D164 I166 A176 M178 T292	I160-V289 HydrophobicContact CG2-CG1 4.27Å; I160-V289 HydrophobicContact CG2-CG2 3.78Å; V162-V289 WeakPolarHBondContact CA-O 3.44Å; G163-V289 PolarHBondContact N-O 3.11Å; D164-V289 PolarHBondContact O-N 3.49Å; I166-V289 HydrophobicContact CG1-CG2 3.81Å; A176-V289 HydrophobicContact CB-CG1 3.7Å; A176-V289 HydrophobicContact CB-CG2 4.36Å; M178-V289 HydrophobicContact CE-CG2 4.36Å; V289-T292 HydrophobicContact CG1-CG2 3.43Å; V289-T292 VanDerWaalsContact CG1-CG2 3.43Å
290	I	92.6	Very high	87.7	Confident	1 Å²	1	12.4 Å²	12.4	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-40	179.4	53.6	168.5	0	0	0	113.5	V162 D177 I179 A234 F244 W275 L288	V162-I290 WeakPolarHBondContact CG1-O 3.48Å; D177-I290 HydrophobicContact CB-CG1 4.21Å; D177-I290 WeakPolarHBondContact O-CG1 3.42Å; D177-I290 PolarHBondContact O-N 2.85Å; I179-I290 HydrophobicContact CD1-CD1 4.16Å; I179-I290 HydrophobicContact CD1-CG2 3.55Å; I179-I290 HydrophobicContact CG1-CD1 4.03Å; I179-I290 HydrophobicContact CG1-CG2 4.02Å; A234-I290 HydrophobicContact CB-CD1 4.5Å; A234-I290 HydrophobicContact CB-CG2 4.49Å; F244-I290 HydrophobicContact CE2-CD1 3.93Å; F244-I290 HydrophobicContact CZ-CD1 4.05Å; W275-I290 HydrophobicContact CZ3-CD1 4.31Å; L288-I290 PolarHBondContact O-N 3.4Å
291	Y	93.3	Very high	87.3	Confident	2 Å²	2	13.7 Å²	13.7	1%	0.008	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.5	177.6	-44.7	-62.2	0	0	0	110.9	A176 D177 E235 P237 E295	A176-Y291 WeakPolarHBondContact CB-O 3.15Å; D177-Y291 HydrophobicContact CB-CD2 3.85Å; D177-Y291 HydrophobicContact CB-CG 4.45Å; D177-Y291 PolarHBondContact N-O 3.03Å; D177-Y291 VanDerWaalsContact N-O 3.15Å; D177-Y291 PolarHBondContact O-N 3.44Å; E235-Y291 PolarHBondContact O-OH 3.07Å; P237-Y291 HydrophobicContact CB-CD1 4.46Å; P237-Y291 HydrophobicContact CB-CE1 4.43Å; P237-Y291 HydrophobicContact CG-CD1 3.76Å; P237-Y291 HydrophobicContact CG-CE1 3.7Å; P237-Y291 HydrophobicContact CG-CG 4.48Å; Y291-E295 WeakPolarHBondContact CB-O 3.48Å
292	T	92.3	Very high	87	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	11%	0.105	C	C	.	.			trans	-132.9	152.9	-174.2	46.8	0	0	0	0	111.1	P59 N61 V162 A176 V289 S294 E295	P59-T292 VanDerWaalsContact CG-O 3.27Å; P59-T292 WeakPolarHBondContact CG-O 3.28Å; P59-T292 PolarHBondContact O-OG1 2.77Å; N61-T292 HydrophobicContact CB-CG2 4.28Å; V162-T292 HydrophobicContact CG2-CG2 3.94Å; A176-T292 HydrophobicContact CB-CG2 4.14Å; V289-T292 HydrophobicContact CG1-CG2 3.43Å; V289-T292 VanDerWaalsContact CG1-CG2 3.43Å; T292-S294 PolarHBondContact O-N 3.46Å; T292-E295 PolarHBondContact O-N 3.35Å
293	G	87.4	Confident	86.7	Confident	7 Å²	7	16.5 Å²	16.5	7%	0.072	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	54.5	-121.9	174.3	0	0	0	0	0	113.7	S60 N61 E295 T296	S60-G293 WeakPolarHBondContact O-CA 3.26Å; N61-G293 PolarHBondContact OD1-N 3.08Å; G293-E295 PolarHBondContact O-N 2.9Å; G293-E295 VanDerWaalsContact O-N 3.13Å; G293-T296 PolarHBondContact O-N 2.99Å; G293-T296 PolarHBondContact O-OG1 2.99Å
294	S	86	Confident	86	Confident	47 Å²	47	26.8 Å²	26.8	33%	0.329	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-66.5	-12.8	-174.5	63.3	0	0	0	0	115.4	T292	T292-S294 PolarHBondContact O-N 3.46Å
295	E	89.2	Confident	85	Confident	25 Å²	25	28.9 Å²	28.9	12%	0.117	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-101.2	4.7	-179.4	-65.4	170.1	162.5	0	0	112.5	Y42 R45 P59 P237 Y291 T292 G293 M300	Y42-E295 HydrophobicContact CD1-CG 4.31Å; Y42-E295 HydrophobicContact CE1-CG 4.03Å; R45-E295 IonicContact CZ-OE1 3.72Å; R45-E295 IonicContact CZ-OE2 3.12Å; R45-E295 IonicContact NH1-OE2 2.95Å; R45-E295 PolarHBondContact NH1-OE2 2.98Å; R45-E295 IonicContact NH2-OE1 2.84Å; R45-E295 PolarHBondContact NH2-OE1 3.08Å; R45-E295 IonicContact NH2-OE2 3.89Å; R45-E295 PolarHBondContact NH2-OE2 2.98Å; P59-E295 WeakPolarHBondContact CD-OE2 3.19Å; P59-E295 HydrophobicContact CG-CB 4.4Å; P59-E295 VanDerWaalsContact CG-CD 3.44Å; P59-E295 HydrophobicContact CG-CG 3.92Å; P59-E295 WeakPolarHBondContact CG-OE2 3.14Å; P237-E295 HydrophobicContact CB-CB 4.36Å; P237-E295 HydrophobicContact CG-CB 4.2Å; P237-E295 HydrophobicContact CG-CG 4.47Å; Y291-E295 WeakPolarHBondContact CB-O 3.48Å; T292-E295 PolarHBondContact O-N 3.35Å; G293-E295 PolarHBondContact O-N 2.9Å; G293-E295 VanDerWaalsContact O-N 3.13Å; E295-M300 WeakPolarHBondContact O-CE 3.45Å
296	T	90	Very high	84	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.031	17%	0.173	C	C	.	.	S	Bend	trans	-73.5	144.6	170.5	58.1	0	0	0	0	110.5	D177 S276 G293 A298 V299 M300	D177-T296 VanDerWaalsContact OD2-CA 3.27Å; D177-T296 WeakPolarHBondContact OD2-CA 3.42Å; S276-T296 WeakPolarHBondContact OG-CB 3.49Å; G293-T296 PolarHBondContact O-N 2.99Å; G293-T296 PolarHBondContact O-OG1 2.99Å; T296-A298 PolarHBondContact O-N 3.22Å; T296-V299 PolarHBondContact O-N 3Å; T296-V299 VanDerWaalsContact O-N 3.15Å; T296-V299 WeakPolarHBondContact OG1-CB 3.15Å; T296-V299 WeakPolarHBondContact OG1-CG2 3.32Å; T296-V299 PolarHBondContact OG1-N 2.98Å; T296-M300 PolarHBondContact O-N 3.41Å
297	R	88	Confident	83.1	Confident	1 Å²	1	36.9 Å²	36.9	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-58.5	-36.5	178	-68	-175.4	177	-159.6	-9.3	112.3	D177 E235 S240 I241 N243 W275 M300 N301	D177-R297 PolarHBondContact OD2-N 2.86Å; E235-R297 IonicContact OE1-NH2 2.65Å; E235-R297 PolarHBondContact OE1-NH2 3.5Å; S240-R297 PolarHBondContact O-NE 3.42Å; S240-R297 PolarHBondContact O-NH1 3.36Å; I241-R297 HydrophobicContact CG2-CB 4.42Å; I241-R297 PolarHBondContact O-NH1 3.18Å; N243-R297 PolarHBondContact O-NH1 2.93Å; N243-R297 PolarHBondContact O-NH2 2.87Å; W275-R297 HydrophobicContact CE3-CG 4.46Å; R297-M300 PolarHBondContact O-N 3.36Å; R297-N301 WeakPolarHBondContact O-CB 3.39Å; R297-N301 PolarHBondContact O-N 2.92Å; R297-N301 PolarHBondContact O-ND2 3.1Å; R297-N301 VanDerWaalsContact O-ND2 3.09Å
298	A	83.1	Confident	82.6	Confident	14 Å²	14	37.8 Å²	37.8	12%	0.116	19%	0.194	C	C	.	.	H	α-helix	trans	-61.8	-43.9	176.6	0	0	0	0	0	112.2	L197 S276 N277 T296 S302	L197-A298 HydrophobicContact CD1-CB 4.11Å; S276-A298 WeakPolarHBondContact OG-CB 3.21Å; N277-A298 HydrophobicContact CB-CB 4.24Å; T296-A298 PolarHBondContact O-N 3.22Å; A298-S302 PolarHBondContact O-N 3.41Å
299	V	83.2	Confident	82	Confident	58 Å²	58	42.6 Å²	42.6	35%	0.352	21%	0.212	S	C	.	.	H	α-helix	trans	-73.3	-37	178.1	176.4	0	0	0	0	111.3	T296 N301 S302	T296-V299 PolarHBondContact O-N 3Å; T296-V299 VanDerWaalsContact O-N 3.15Å; T296-V299 WeakPolarHBondContact OG1-CB 3.15Å; T296-V299 WeakPolarHBondContact OG1-CG2 3.32Å; T296-V299 PolarHBondContact OG1-N 2.98Å; V299-N301 VanDerWaalsContact C-N 3.28Å; V299-N301 PolarHBondContact O-N 3.28Å; V299-S302 WeakPolarHBondContact O-CB 3.39Å; V299-S302 PolarHBondContact O-N 3.47Å; V299-S302 VanDerWaalsContact O-N 3.07Å; V299-S302 PolarHBondContact O-OG 3.05Å
300	M	81.9	Confident	81.7	Confident	27 Å²	27	42.6 Å²	42.6	13%	0.133	21%	0.213	C	C	.	.	H	α-helix	trans	-64.2	-31.7	176.1	-77.4	-165.5	-97.7	0	0	113.5	P237 Q239 E295 T296 R297 S302	P237-M300 HydrophobicContact CB-CE 3.4Å; P237-M300 HydrophobicContact CB-SD 4.32Å; Q239-M300 HydrophobicContact CG-CB 4.08Å; E295-M300 WeakPolarHBondContact O-CE 3.45Å; T296-M300 PolarHBondContact O-N 3.41Å; R297-M300 PolarHBondContact O-N 3.36Å; M300-S302 VanDerWaalsContact C-N 3.35Å
301	N	78.7	Confident	81.5	Confident	27 Å²	27	45.1 Å²	45.1	14%	0.144	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.1	173.4	-74.7	-52.5	0	0	0	113.6	Q239 I241 R297 V299	Q239-N301 PolarHBondContact O-ND2 2.64Å; Q239-N301 PolarHBondContact O-OD1 2.71Å; I241-N301 WeakPolarHBondContact CG2-ND2 3.32Å; R297-N301 WeakPolarHBondContact O-CB 3.39Å; R297-N301 PolarHBondContact O-N 2.92Å; R297-N301 PolarHBondContact O-ND2 3.1Å; R297-N301 VanDerWaalsContact O-ND2 3.09Å; V299-N301 VanDerWaalsContact C-N 3.28Å; V299-N301 PolarHBondContact O-N 3.28Å
302	S	74	Confident	81.3	Confident	56 Å²	56	45.2 Å²	45.2	39%	0.392	22%	0.224	S	C	.	.	S	Bend	trans	-86.2	141.6	174.1	77.2	0	0	0	0	111.3	A298 V299 M300	A298-S302 PolarHBondContact O-N 3.41Å; V299-S302 WeakPolarHBondContact O-CB 3.39Å; V299-S302 PolarHBondContact O-N 3.47Å; V299-S302 VanDerWaalsContact O-N 3.07Å; V299-S302 PolarHBondContact O-OG 3.05Å; M300-S302 VanDerWaalsContact C-N 3.35Å
303	S	68.4	Low	81.1	Confident	34 Å²	34	46.5 Å²	46.5	24%	0.238	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-85.7	159.9	175.9	72.6	0	0	0	0	111.6	G814 Q817	S303-G814 WeakPolarHBondContact OG-CA 3.25Å; S303-Q817 PolarHBondContact O-OE1 3.48Å; S303-Q817 VanDerWaalsContact O-OE1 3.06Å; S303-Q817 PolarHBondContact OG-OE1 3.37Å
304	R	67.4	Low	81.2	Confident	240 Å²	240	50.8 Å²	50.8	91%	0.906	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-76.3	136.8	175.4	-69.8	-174.4	-178.4	174.2	4.5	110.6	R306	R304-R306 PolarHBondContact O-N 3.41Å
305	V	67.3	Low	81.4	Confident	63 Å²	63	50.4 Å²	50.4	38%	0.382	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-64.1	122.6	177.6	-171.3	0	0	0	0	111
306	R	71.1	Confident	81.4	Confident	110 Å²	110	49.6 Å²	49.6	42%	0.415	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-98.8	149.1	177.3	-178.9	177.6	169.6	-135.2	-2.7	112.1	R304 K308 R796	R304-R306 PolarHBondContact O-N 3.41Å; R306-K308 PolarHBondContact O-N 2.81Å; R306-R796 VanDerWaalsContact NH1-NH1 3.13Å; R306-R796 VanDerWaalsContact NH1-NH2 3.17Å; R306-R796 VanDerWaalsContact NH2-NH2 3.1Å
307	T	73.1	Confident	81.4	Confident	58 Å²	58	50.9 Å²	50.9	36%	0.356	25%	0.245	S	C	.	.			trans	-76.1	109.5	164.5	46.1	0	0	0	0	110.3	K67	K67-T307 HydrophobicContact CD-CG2 4.48Å
308	K	82	Confident	81.5	Confident	19 Å²	19	54.6 Å²	54.6	8%	0.083	27%	0.265	C	S	.	.			trans	-80	133.5	176.7	-59.4	-172.6	-176.4	-171.2	0	109.7	R306 I394 I816 Q817 S819 D838	R306-K308 PolarHBondContact O-N 2.81Å; K308-I394 HydrophobicContact CB-CD1 4.48Å; K308-I394 HydrophobicContact CB-CG2 4.28Å; K308-I394 HydrophobicContact CD-CD1 4.16Å; K308-I816 PolarHBondContact NZ-O 3.46Å; K308-Q817 WeakPolarHBondContact CE-O 3.36Å; K308-S819 WeakPolarHBondContact CD-O 3.34Å; K308-S819 WeakPolarHBondContact CE-O 3.49Å; K308-S819 PolarHBondContact NZ-O 3.49Å; K308-S819 PolarHBondContact NZ-OG 2.99Å; K308-D838 WeakPolarHBondContact CD-OD2 3.31Å; K308-D838 WeakPolarHBondContact CE-OD2 3.31Å; K308-D838 IonicContact NZ-OD2 3.19Å; K308-D838 PolarHBondContact NZ-OD2 3.31Å
309	R	80.9	Confident	81.8	Confident	100 Å²	100	54.2 Å²	54.2	38%	0.377	26%	0.261	S	S	.	.			trans	-114.9	135.7	173.5	-67.7	-172.7	-177.1	-175.1	2.1	109.5	E80 R802	E80-R309 VanDerWaalsContact CD-NH2 3.29Å; E80-R309 IonicContact OE1-CZ 2.86Å; E80-R309 IonicContact OE1-NE 2.76Å; E80-R309 PolarHBondContact OE1-NE 2.82Å; E80-R309 IonicContact OE1-NH2 3.78Å; E80-R309 PolarHBondContact OE1-NH2 3.35Å; E80-R309 IonicContact OE2-NH2 2.79Å; R309-R802 PolarHBondContact O-NH2 3.38Å
310	G	85.2	Confident	82.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.01	25%	0.245	C	C	.	.			trans	-68.5	152.7	178.5	0	0	0	0	0	112.4	I312 D313 Q314 E397	G310-I312 VanDerWaalsContact C-N 3.34Å; G310-D313 PolarHBondContact O-N 3.08Å; G310-Q314 PolarHBondContact O-N 3.01Å; G310-E397 WeakPolarHBondContact CA-OE2 3.49Å
311	K	89.4	Confident	82.6	Confident	54 Å²	54	54.4 Å²	54.4	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-69.6	-37.7	177.9	-174.1	171.1	179.3	170.6	0	111	D313 Q314 E315 E397 R802	K311-D313 VanDerWaalsContact C-N 3.28Å; K311-D313 PolarHBondContact O-N 2.68Å; K311-Q314 WeakPolarHBondContact O-CB 3.14Å; K311-Q314 PolarHBondContact O-N 3.3Å; K311-Q314 VanDerWaalsContact O-N 3.07Å; K311-E315 WeakPolarHBondContact CE-OE1 3.04Å; K311-E315 HydrophobicContact CG-CG 4.47Å; K311-E315 WeakPolarHBondContact O-CG 3.41Å; K311-E315 PolarHBondContact O-N 3.17Å; K311-E397 PolarHBondContact N-OE2 3.26Å; K311-R802 HydrophobicContact CD-CG 4.1Å
312	I	89.1	Confident	83.3	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-38.5	177	-162.1	164.2	0	0	0	111.4	G310 Q314 E315 I316 E396 Y859 T862 A863 L942	G310-I312 VanDerWaalsContact C-N 3.34Å; I312-Q314 VanDerWaalsContact C-N 3.28Å; I312-Q314 PolarHBondContact O-N 3.48Å; I312-E315 PolarHBondContact O-N 3.14Å; I312-I316 HydrophobicContact CG1-CD1 3.98Å; I312-I316 HydrophobicContact CG1-CG1 4.49Å; I312-I316 WeakPolarHBondContact O-CB 3.49Å; I312-I316 VanDerWaalsContact O-CG1 3.28Å; I312-I316 WeakPolarHBondContact O-CG1 3.27Å; I312-I316 PolarHBondContact O-N 3.04Å; I312-E396 HydrophobicContact CG2-CB 3.99Å; I312-E396 HydrophobicContact CG2-CG 4.27Å; I312-Y859 HydrophobicContact CD1-CD2 4.05Å; I312-Y859 HydrophobicContact CD1-CE2 4.09Å; I312-T862 HydrophobicContact CD1-CG2 3.67Å; I312-A863 HydrophobicContact CD1-CB 4.48Å; I312-L942 HydrophobicContact CG1-CD2 3.95Å
313	D	88.3	Confident	84.1	Confident	27 Å²	27	53.9 Å²	53.9	14%	0.144	25%	0.249	C	C	.	.	H	α-helix	trans	-62	-37.8	175	-65.5	-25.1	0	0	0	111.1	G310 K311 N317 M367 K371	G310-D313 PolarHBondContact O-N 3.08Å; K311-D313 VanDerWaalsContact C-N 3.28Å; K311-D313 PolarHBondContact O-N 2.68Å; D313-N317 VanDerWaalsContact O-CB 3.22Å; D313-N317 WeakPolarHBondContact O-CB 3.44Å; D313-N317 PolarHBondContact O-N 2.94Å; D313-M367 WeakPolarHBondContact OD1-CE 3.32Å; D313-K371 VanDerWaalsContact CG-NZ 3.31Å; D313-K371 IonicContact OD1-NZ 3.86Å; D313-K371 PolarHBondContact OD1-NZ 3.22Å; D313-K371 IonicContact OD2-NZ 3.73Å; D313-K371 PolarHBondContact OD2-NZ 3.46Å
314	Q	88.6	Confident	85.3	Confident	98 Å²	98	55.2 Å²	55.2	46%	0.458	25%	0.251	S	S	.	.	H	α-helix	trans	-70	-42.9	176.4	-63.5	178	2	0	0	112.1	G310 K311 I312 N317 N318	G310-Q314 PolarHBondContact O-N 3.01Å; K311-Q314 WeakPolarHBondContact O-CB 3.14Å; K311-Q314 PolarHBondContact O-N 3.3Å; K311-Q314 VanDerWaalsContact O-N 3.07Å; I312-Q314 VanDerWaalsContact C-N 3.28Å; I312-Q314 PolarHBondContact O-N 3.48Å; Q314-N317 PolarHBondContact O-N 3.13Å; Q314-N318 VanDerWaalsContact O-CG 3.28Å; Q314-N318 PolarHBondContact O-N 3.33Å; Q314-N318 PolarHBondContact O-ND2 3Å
315	E	90.4	Very high	86.6	Confident	38 Å²	38	47.7 Å²	47.7	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-45.4	176.5	-70.1	169	179.2	0	0	110.4	K311 I312 N318 I319 R400 L942	K311-E315 WeakPolarHBondContact CE-OE1 3.04Å; K311-E315 HydrophobicContact CG-CG 4.47Å; K311-E315 WeakPolarHBondContact O-CG 3.41Å; K311-E315 PolarHBondContact O-N 3.17Å; I312-E315 PolarHBondContact O-N 3.14Å; E315-N318 PolarHBondContact O-N 3.49Å; E315-I319 WeakPolarHBondContact O-CG1 3.31Å; E315-I319 PolarHBondContact O-N 2.88Å; E315-R400 IonicContact OE1-NH2 3.88Å; E315-R400 PolarHBondContact OE1-NH2 2.71Å; E315-L942 HydrophobicContact CB-CD2 3.65Å
316	I	90	Very high	87.8	Confident	8 Å²	8	47.7 Å²	47.7	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-40.5	176	-70.1	171.3	0	0	0	111.6	I312 N318 I319 T320 L363 M367 A866 L942	I312-I316 HydrophobicContact CG1-CD1 3.98Å; I312-I316 HydrophobicContact CG1-CG1 4.49Å; I312-I316 WeakPolarHBondContact O-CB 3.49Å; I312-I316 VanDerWaalsContact O-CG1 3.28Å; I312-I316 WeakPolarHBondContact O-CG1 3.27Å; I312-I316 PolarHBondContact O-N 3.04Å; I316-N318 VanDerWaalsContact C-N 3.29Å; I316-N318 PolarHBondContact O-N 3.06Å; I316-I319 PolarHBondContact O-N 3.35Å; I316-T320 WeakPolarHBondContact O-CB 2.8Å; I316-T320 PolarHBondContact O-N 3.08Å; I316-T320 PolarHBondContact O-OG1 3.49Å; I316-L363 HydrophobicContact CG2-CD2 3.79Å; I316-M367 HydrophobicContact CD1-CE 3.33Å; I316-M367 HydrophobicContact CD1-SD 3.47Å; I316-M367 WeakPolarHBondContact CD1-SD 3.38Å; I316-M367 HydrophobicContact CG2-SD 4.34Å; I316-A866 HydrophobicContact CD1-CB 3.7Å; I316-A866 HydrophobicContact CG1-CB 4.4Å; I316-L942 HydrophobicContact CD1-CD2 4.32Å; I316-L942 HydrophobicContact CG1-CD2 3.61Å
317	N	89	Confident	88.9	Confident	33 Å²	33	42.5 Å²	42.5	18%	0.176	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-36.2	175.8	-170.9	62.1	0	0	0	111.8	F85 D313 Q314 T320 K321	F85-N317 WeakPolarHBondContact CB-OD1 3.45Å; D313-N317 VanDerWaalsContact O-CB 3.22Å; D313-N317 WeakPolarHBondContact O-CB 3.44Å; D313-N317 PolarHBondContact O-N 2.94Å; Q314-N317 PolarHBondContact O-N 3.13Å; N317-T320 WeakPolarHBondContact O-CB 3.4Å; N317-T320 PolarHBondContact O-N 3.1Å; N317-K321 WeakPolarHBondContact O-CG 3.44Å; N317-K321 PolarHBondContact O-N 2.83Å
318	N	90.6	Very high	89.9	Confident	79 Å²	79	42 Å²	42	42%	0.422	21%	0.208	S	C	.	.	H	α-helix	trans	-69.2	-38.9	174.6	-69.8	-21.3	0	0	0	112.3	Q314 E315 I316 T320 K321 L322	Q314-N318 VanDerWaalsContact O-CG 3.28Å; Q314-N318 PolarHBondContact O-N 3.33Å; Q314-N318 PolarHBondContact O-ND2 3Å; E315-N318 PolarHBondContact O-N 3.49Å; I316-N318 VanDerWaalsContact C-N 3.29Å; I316-N318 PolarHBondContact O-N 3.06Å; N318-T320 VanDerWaalsContact C-N 3.33Å; N318-K321 PolarHBondContact O-N 3.09Å; N318-L322 PolarHBondContact O-N 3Å
319	I	90.4	Very high	90.5	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-41	172.3	-67.8	167.3	0	0	0	110.6	E315 I316 K321 L322 L323 I870 L942 F944 Y947	E315-I319 WeakPolarHBondContact O-CG1 3.31Å; E315-I319 PolarHBondContact O-N 2.88Å; I316-I319 PolarHBondContact O-N 3.35Å; I319-K321 VanDerWaalsContact C-N 3.3Å; I319-K321 PolarHBondContact O-N 2.91Å; I319-L322 WeakPolarHBondContact O-CB 3.48Å; I319-L322 PolarHBondContact O-N 2.94Å; I319-L322 VanDerWaalsContact O-N 3.13Å; I319-L323 HydrophobicContact CG2-CD1 4.27Å; I319-L323 PolarHBondContact O-N 2.96Å; I319-I870 HydrophobicContact CG2-CD1 4.31Å; I319-L942 HydrophobicContact CD1-CD1 4.39Å; I319-L942 HydrophobicContact CD1-CD2 4.24Å; I319-L942 HydrophobicContact CD1-CG 4.03Å; I319-F944 HydrophobicContact CG1-CE1 4.37Å; I319-Y947 HydrophobicContact CG2-CD1 4.43Å; I319-Y947 HydrophobicContact CG2-CD2 3.62Å; I319-Y947 HydrophobicContact CG2-CE1 4.35Å; I319-Y947 HydrophobicContact CG2-CE2 3.55Å; I319-Y947 HydrophobicContact CG2-CG 4.08Å
320	T	89.7	Confident	91.2	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-60.4	-39.5	176.7	-58.3	0	0	0	0	111.7	F85 L86 I316 N317 N318 L323 F324 I359	F85-T320 HydrophobicContact CD1-CG2 4.1Å; F85-T320 HydrophobicContact CE1-CG2 4.44Å; L86-T320 HydrophobicContact CB-CG2 4.14Å; L86-T320 HydrophobicContact CD1-CG2 3.58Å; L86-T320 HydrophobicContact CG-CG2 4.48Å; I316-T320 WeakPolarHBondContact O-CB 2.8Å; I316-T320 PolarHBondContact O-N 3.08Å; I316-T320 PolarHBondContact O-OG1 3.49Å; N317-T320 WeakPolarHBondContact O-CB 3.4Å; N317-T320 PolarHBondContact O-N 3.1Å; N318-T320 VanDerWaalsContact C-N 3.33Å; T320-L323 WeakPolarHBondContact O-CB 3.42Å; T320-L323 PolarHBondContact O-N 3.13Å; T320-F324 WeakPolarHBondContact O-CB 3.43Å; T320-F324 PolarHBondContact O-N 3.06Å; T320-I359 HydrophobicContact CG2-CD1 4.39Å; T320-I359 HydrophobicContact CG2-CG2 3.81Å
321	K	91.9	Very high	91.6	Very high	89 Å²	89	43.1 Å²	43.1	39%	0.387	22%	0.221	S	C	.	.	H	α-helix	trans	-62.3	-43.9	173.7	-70.2	170.9	-175.9	178.1	0	111.9	F85 N317 N318 I319 L323 F324 C325	F85-K321 HydrophobicContact CD1-CB 4.47Å; F85-K321 HydrophobicContact CD1-CG 3.58Å; F85-K321 HydrophobicContact CD2-CG 4.44Å; F85-K321 HydrophobicContact CE1-CB 4.27Å; F85-K321 HydrophobicContact CE1-CG 3.77Å; F85-K321 HydrophobicContact CG-CG 3.95Å; F85-K321 HydrophobicContact CZ-CG 4.27Å; N317-K321 WeakPolarHBondContact O-CG 3.44Å; N317-K321 PolarHBondContact O-N 2.83Å; N318-K321 PolarHBondContact O-N 3.09Å; I319-K321 VanDerWaalsContact C-N 3.3Å; I319-K321 PolarHBondContact O-N 2.91Å; K321-L323 VanDerWaalsContact C-N 3.35Å; K321-F324 WeakPolarHBondContact O-CB 3.35Å; K321-F324 PolarHBondContact O-N 3.5Å; K321-C325 PolarHBondContact O-N 2.86Å; K321-C325 PolarHBondContact O-SG 2.98Å; K321-C325 VanDerWaalsContact O-SG 3.4Å
322	L	92.2	Very high	91.9	Very high	70 Å²	70	44.1 Å²	44.1	37%	0.366	23%	0.229	S	C	.	.	H	α-helix	trans	-61.3	-44.8	175.7	177.9	66.5	0	0	0	111.4	N318 I319 F324 C325 I326 F944 Y947	N318-L322 PolarHBondContact O-N 3Å; I319-L322 WeakPolarHBondContact O-CB 3.48Å; I319-L322 PolarHBondContact O-N 2.94Å; I319-L322 VanDerWaalsContact O-N 3.13Å; L322-F324 VanDerWaalsContact C-N 3.29Å; L322-F324 PolarHBondContact O-N 3.38Å; L322-C325 WeakPolarHBondContact O-CB 3.39Å; L322-C325 PolarHBondContact O-N 2.79Å; L322-C325 VanDerWaalsContact O-N 3.15Å; L322-I326 HydrophobicContact CG-CD1 4.24Å; L322-I326 WeakPolarHBondContact O-CG1 3.46Å; L322-I326 PolarHBondContact O-N 3.45Å; L322-F944 HydrophobicContact CD2-CD1 3.92Å; L322-F944 HydrophobicContact CD2-CE1 3.98Å; L322-Y947 HydrophobicContact CD2-CD1 4.38Å; L322-Y947 HydrophobicContact CD2-CE1 4.16Å
323	L	91.7	Very high	92.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-40.7	174.6	-88.8	170.9	0	0	0	112.9	I319 T320 K321 I326 L327 I358 I359 I870 Y947	I319-L323 HydrophobicContact CG2-CD1 4.27Å; I319-L323 PolarHBondContact O-N 2.96Å; T320-L323 WeakPolarHBondContact O-CB 3.42Å; T320-L323 PolarHBondContact O-N 3.13Å; K321-L323 VanDerWaalsContact C-N 3.35Å; L323-I326 PolarHBondContact O-N 3.46Å; L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 PolarHBondContact O-N 3.17Å; L323-I358 HydrophobicContact CD2-CD1 3.62Å; L323-I358 HydrophobicContact CD2-CG1 3.61Å; L323-I358 HydrophobicContact CD2-CG2 4.44Å; L323-I359 HydrophobicContact CB-CD1 4.37Å; L323-I359 HydrophobicContact CB-CG1 3.85Å; L323-I870 HydrophobicContact CD1-CG2 3.88Å; L323-Y947 HydrophobicContact CD1-CE2 4.39Å; L323-Y947 WeakPolarHBondContact CD2-OH 3.49Å; L323-Y947 WeakPolarHBondContact CG-OH 3.12Å
324	F	93.2	Very high	92.3	Very high	63 Å²	63	46.8 Å²	46.8	28%	0.276	24%	0.242	S	C	.	.	H	α-helix	trans	-65.2	-38.3	175.9	-176.6	-97.8	0	0	0	112.2	F85 V89 T320 K321 L322 L327 V328 I359	F85-F324 HydrophobicContact CE1-CB 3.79Å; F85-F324 HydrophobicContact CE1-CD1 4.46Å; F85-F324 HydrophobicContact CE1-CG 4.07Å; F85-F324 HydrophobicContact CZ-CB 3.95Å; F85-F324 AromaticContact CZ-CD1 3.76Å; F85-F324 HydrophobicContact CZ-CD1 3.76Å; F85-F324 HydrophobicContact CZ-CD2 4.42Å; F85-F324 HydrophobicContact CZ-CE1 4.38Å; F85-F324 AromaticContact CZ-CG 3.78Å; F85-F324 HydrophobicContact CZ-CG 3.78Å; V89-F324 HydrophobicContact CG1-CD2 3.88Å; V89-F324 HydrophobicContact CG1-CE2 3.99Å; V89-F324 HydrophobicContact CG2-CD2 3.82Å; V89-F324 HydrophobicContact CG2-CE2 3.99Å; V89-F324 HydrophobicContact CG2-CG 4.42Å; T320-F324 WeakPolarHBondContact O-CB 3.43Å; T320-F324 PolarHBondContact O-N 3.06Å; K321-F324 WeakPolarHBondContact O-CB 3.35Å; K321-F324 PolarHBondContact O-N 3.5Å; L322-F324 VanDerWaalsContact C-N 3.29Å; L322-F324 PolarHBondContact O-N 3.38Å; F324-L327 HydrophobicContact CD2-CD2 4.09Å; F324-L327 HydrophobicContact CE2-CD2 4.42Å; F324-L327 WeakPolarHBondContact O-CB 3.46Å; F324-L327 PolarHBondContact O-N 2.93Å; F324-V328 HydrophobicContact CD1-CG2 4.39Å; F324-V328 HydrophobicContact CE1-CG2 3.95Å; F324-V328 HydrophobicContact CE2-CG2 4.45Å; F324-V328 HydrophobicContact CZ-CG2 3.98Å; F324-V328 WeakPolarHBondContact O-CG2 3.32Å; F324-V328 PolarHBondContact O-N 3.09Å; F324-I359 HydrophobicContact CB-CD1 3.82Å; F324-I359 HydrophobicContact CD2-CD1 4.09Å; F324-I359 HydrophobicContact CG-CD1 4.48Å
325	C	94.3	Very high	92.6	Very high	81 Å²	81	42.2 Å²	42.2	55%	0.547	22%	0.221	S	C	.	.	H	α-helix	trans	-62.9	-42.9	172.2	-64.8	0	0	0	0	111.7	K321 L322 V328 L329	K321-C325 PolarHBondContact O-N 2.86Å; K321-C325 PolarHBondContact O-SG 2.98Å; K321-C325 VanDerWaalsContact O-SG 3.4Å; L322-C325 WeakPolarHBondContact O-CB 3.39Å; L322-C325 PolarHBondContact O-N 2.79Å; L322-C325 VanDerWaalsContact O-N 3.15Å; C325-V328 PolarHBondContact O-N 3.35Å; C325-L329 WeakPolarHBondContact O-CB 3.13Å; C325-L329 PolarHBondContact O-N 3.25Å
326	I	93	Very high	92.7	Very high	64 Å²	64	42.8 Å²	42.8	33%	0.328	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-42.6	176.2	-66.2	167.9	0	0	0	110.7	L322 L323 L329 L330 I358	L322-I326 HydrophobicContact CG-CD1 4.24Å; L322-I326 WeakPolarHBondContact O-CG1 3.46Å; L322-I326 PolarHBondContact O-N 3.45Å; L323-I326 PolarHBondContact O-N 3.46Å; I326-L329 PolarHBondContact O-N 3.09Å; I326-L330 VanDerWaalsContact O-CB 3.27Å; I326-L330 WeakPolarHBondContact O-CB 3.33Å; I326-L330 PolarHBondContact O-N 3.24Å; I326-I358 HydrophobicContact CG2-CD1 4.01Å
327	L	93.9	Very high	92.8	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-55.1	-53	175.9	169.9	62.1	0	0	0	111.7	L323 F324 L329 L330 A331 V352 F355 I358 I359	L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 PolarHBondContact O-N 3.17Å; F324-L327 HydrophobicContact CD2-CD2 4.09Å; F324-L327 HydrophobicContact CE2-CD2 4.42Å; F324-L327 WeakPolarHBondContact O-CB 3.46Å; F324-L327 PolarHBondContact O-N 2.93Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 3.28Å; L327-L330 PolarHBondContact O-N 2.64Å; L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 3.33Å; L327-V352 HydrophobicContact CD2-CG1 4.3Å; L327-V352 HydrophobicContact CG-CG1 4.45Å; L327-F355 HydrophobicContact CD1-CB 3.28Å; L327-F355 WeakPolarHBondContact CD1-O 3.44Å; L327-I358 HydrophobicContact CB-CG2 3.98Å; L327-I358 HydrophobicContact CD1-CG2 4.16Å; L327-I358 HydrophobicContact CG-CG2 4.49Å; L327-I359 HydrophobicContact CD2-CD1 4.38Å
328	V	94.2	Very high	92.7	Very high	46 Å²	46	49 Å²	49	28%	0.279	26%	0.262	S	S	.	.	H	α-helix	trans	-62.8	-42.4	-179.6	164.5	0	0	0	0	111.2	F324 C325 L332 W348	F324-V328 HydrophobicContact CD1-CG2 4.39Å; F324-V328 HydrophobicContact CE1-CG2 3.95Å; F324-V328 HydrophobicContact CE2-CG2 4.45Å; F324-V328 HydrophobicContact CZ-CG2 3.98Å; F324-V328 WeakPolarHBondContact O-CG2 3.32Å; F324-V328 PolarHBondContact O-N 3.09Å; C325-V328 PolarHBondContact O-N 3.35Å; V328-L332 WeakPolarHBondContact O-CB 3.25Å; V328-L332 PolarHBondContact O-N 2.98Å; V328-W348 HydrophobicContact CG1-CZ2 4.04Å
329	L	95.3	Very high	92.6	Very high	99 Å²	99	46.6 Å²	46.6	52%	0.518	26%	0.256	S	S	.	.	H	α-helix	trans	-65.2	-45.7	177.9	-179.7	63.8	0	0	0	111.8	C325 I326 L327 A331 L332 I333	C325-L329 WeakPolarHBondContact O-CB 3.13Å; C325-L329 PolarHBondContact O-N 3.25Å; I326-L329 PolarHBondContact O-N 3.09Å; L327-L329 VanDerWaalsContact C-N 3.34Å; L327-L329 PolarHBondContact O-N 3.28Å; L329-A331 VanDerWaalsContact C-N 3.35Å; L329-A331 PolarHBondContact O-N 2.84Å; L329-L332 WeakPolarHBondContact O-CB 3.44Å; L329-L332 PolarHBondContact O-N 3.28Å; L329-L332 VanDerWaalsContact O-N 3.17Å; L329-I333 HydrophobicContact CD1-CD1 4.26Å; L329-I333 HydrophobicContact CD1-CG1 4.44Å; L329-I333 HydrophobicContact CG-CD1 3.93Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.19Å; L329-I333 PolarHBondContact O-N 3.35Å
330	L	94.1	Very high	92.5	Very high	45 Å²	45	52.3 Å²	52.3	24%	0.236	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-43.9	178.6	-177	65.2	0	0	0	111	I326 L327 L332 I333 M334 F355 T877	I326-L330 VanDerWaalsContact O-CB 3.27Å; I326-L330 WeakPolarHBondContact O-CB 3.33Å; I326-L330 PolarHBondContact O-N 3.24Å; L327-L330 PolarHBondContact O-N 2.64Å; L330-L332 VanDerWaalsContact C-N 3.31Å; L330-L332 PolarHBondContact O-N 3.27Å; L330-I333 PolarHBondContact O-N 3.46Å; L330-M334 WeakPolarHBondContact O-CG 3.18Å; L330-M334 PolarHBondContact O-N 3.31Å; L330-F355 HydrophobicContact CB-CD2 4.32Å; L330-F355 HydrophobicContact CD2-CB 4.47Å; L330-F355 HydrophobicContact CD2-CD1 4.29Å; L330-F355 HydrophobicContact CD2-CD2 3.73Å; L330-F355 HydrophobicContact CD2-CE1 4.48Å; L330-F355 HydrophobicContact CD2-CE2 3.94Å; L330-F355 HydrophobicContact CD2-CG 3.92Å; L330-F355 HydrophobicContact CD2-CZ 4.31Å; L330-F355 HydrophobicContact CG-CD2 3.79Å; L330-F355 HydrophobicContact CG-CE2 3.71Å; L330-F355 HydrophobicContact CG-CG 4.48Å; L330-F355 HydrophobicContact CG-CZ 4.35Å; L330-T877 HydrophobicContact CD2-CG2 3.92Å
331	A	94.4	Very high	92.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-39.2	174.8	0	0	0	0	0	112.2	L327 L329 V335 F351 V352 F355	L327-A331 WeakPolarHBondContact O-CB 3.4Å; L327-A331 PolarHBondContact O-N 3.33Å; L329-A331 VanDerWaalsContact C-N 3.35Å; L329-A331 PolarHBondContact O-N 2.84Å; A331-V335 WeakPolarHBondContact O-CG2 3.24Å; A331-V335 PolarHBondContact O-N 3.23Å; A331-F351 HydrophobicContact CB-CB 3.84Å; A331-V352 HydrophobicContact CB-CB 4.47Å; A331-V352 HydrophobicContact CB-CG2 3.56Å; A331-F355 HydrophobicContact CB-CD2 4.39Å
332	L	95	Very high	91.8	Very high	75 Å²	75	54.7 Å²	54.7	39%	0.393	32%	0.32	S	S	.	.	H	α-helix	trans	-65.9	-42.5	175.7	-175.2	66.5	0	0	0	111.9	V328 L329 L330 M334 V335 A336	V328-L332 WeakPolarHBondContact O-CB 3.25Å; V328-L332 PolarHBondContact O-N 2.98Å; L329-L332 WeakPolarHBondContact O-CB 3.44Å; L329-L332 PolarHBondContact O-N 3.28Å; L329-L332 VanDerWaalsContact O-N 3.17Å; L330-L332 VanDerWaalsContact C-N 3.31Å; L330-L332 PolarHBondContact O-N 3.27Å; L332-M334 PolarHBondContact O-N 3.42Å; L332-V335 PolarHBondContact O-N 3.37Å; L332-A336 WeakPolarHBondContact O-CB 3.41Å; L332-A336 PolarHBondContact O-N 3.43Å
333	I	94.5	Very high	91.6	Very high	77 Å²	77	53.6 Å²	53.6	40%	0.395	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-44.6	177.1	-69.6	165.5	0	0	0	110.6	L329 L330 V335 A336 L337	L329-I333 HydrophobicContact CD1-CD1 4.26Å; L329-I333 HydrophobicContact CD1-CG1 4.44Å; L329-I333 HydrophobicContact CG-CD1 3.93Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.19Å; L329-I333 PolarHBondContact O-N 3.35Å; L330-I333 PolarHBondContact O-N 3.46Å; I333-V335 VanDerWaalsContact C-N 3.28Å; I333-V335 PolarHBondContact O-N 3.13Å; I333-A336 PolarHBondContact O-N 2.85Å; I333-A336 VanDerWaalsContact O-N 3.16Å; I333-L337 HydrophobicContact CG2-CD1 3.97Å; I333-L337 HydrophobicContact CG2-CG 4.3Å; I333-L337 WeakPolarHBondContact O-CG 3.27Å; I333-L337 PolarHBondContact O-N 3.37Å
334	M	92.7	Very high	91.5	Very high	9 Å²	9	58.8 Å²	58.8	4%	0.044	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-37	178.7	-67.9	-58.9	-80	0	0	112.6	L330 L332 K338 F351 F355 A885 F889	L330-M334 WeakPolarHBondContact O-CG 3.18Å; L330-M334 PolarHBondContact O-N 3.31Å; L332-M334 PolarHBondContact O-N 3.42Å; M334-K338 WeakPolarHBondContact O-CB 3.43Å; M334-K338 PolarHBondContact O-N 3.11Å; M334-F351 HydrophobicContact CB-CD1 4.21Å; M334-F351 HydrophobicContact CB-CD2 4.06Å; M334-F351 HydrophobicContact CB-CE1 4.2Å; M334-F351 HydrophobicContact CB-CE2 4.03Å; M334-F351 HydrophobicContact CB-CG 4.15Å; M334-F351 HydrophobicContact CB-CZ 4.09Å; M334-F351 HydrophobicContact CE-CE1 4.32Å; M334-F355 HydrophobicContact CB-CE2 4.44Å; M334-F355 HydrophobicContact CE-CZ 4.38Å; M334-F355 HydrophobicContact CG-CE2 3.58Å; M334-F355 HydrophobicContact CG-CZ 3.74Å; M334-A885 HydrophobicContact CE-CB 4.34Å; M334-F889 HydrophobicContact CE-CD1 3.68Å; M334-F889 HydrophobicContact CE-CE1 4.21Å; M334-F889 HydrophobicContact SD-CD1 4.19Å; M334-F889 HydrophobicContact SD-CE1 4.34Å
335	V	93.2	Very high	91.4	Very high	2 Å²	2	61.6 Å²	61.6	1%	0.012	35%	0.348	C	S	.	.	H	α-helix	trans	-71.6	-39.7	174.5	175.1	0	0	0	0	111.7	A331 L332 I333 L337 K338 G339 F340 W344 W348 F351	A331-V335 WeakPolarHBondContact O-CG2 3.24Å; A331-V335 PolarHBondContact O-N 3.23Å; L332-V335 PolarHBondContact O-N 3.37Å; I333-V335 VanDerWaalsContact C-N 3.28Å; I333-V335 PolarHBondContact O-N 3.13Å; V335-L337 VanDerWaalsContact C-N 3.32Å; V335-L337 PolarHBondContact O-N 2.91Å; V335-K338 PolarHBondContact O-N 3.04Å; V335-G339 CarbonylContact O-C 3.5Å; V335-G339 PolarHBondContact O-N 2.98Å; V335-F340 HydrophobicContact CG1-CD1 4Å; V335-F340 HydrophobicContact CG1-CE1 3.94Å; V335-W344 HydrophobicContact CG1-CB 4.17Å; V335-W348 HydrophobicContact CG2-CB 3.85Å; V335-F351 HydrophobicContact CG2-CD2 3.77Å; V335-F351 HydrophobicContact CG2-CE2 4.14Å
336	A	92.6	Very high	91.2	Very high	50 Å²	50	59.9 Å²	59.9	41%	0.413	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-42.1	176.4	0	0	0	0	0	111.5	L332 I333 G339 F340	L332-A336 WeakPolarHBondContact O-CB 3.41Å; L332-A336 PolarHBondContact O-N 3.43Å; I333-A336 PolarHBondContact O-N 2.85Å; I333-A336 VanDerWaalsContact O-N 3.16Å; A336-G339 PolarHBondContact O-N 3.22Å; A336-F340 HydrophobicContact CB-CE2 4.19Å; A336-F340 HydrophobicContact CB-CZ 4.15Å
337	L	92.1	Very high	91.1	Very high	108 Å²	108	61 Å²	61	57%	0.565	33%	0.331	S	S	*	.	H	α-helix	trans	-68.2	-37.1	175.9	-67.6	175.1	0	0	0	112.8	I333 V335 G339 F889	I333-L337 HydrophobicContact CG2-CD1 3.97Å; I333-L337 HydrophobicContact CG2-CG 4.3Å; I333-L337 WeakPolarHBondContact O-CG 3.27Å; I333-L337 PolarHBondContact O-N 3.37Å; V335-L337 VanDerWaalsContact C-N 3.32Å; V335-L337 PolarHBondContact O-N 2.91Å; L337-G339 VanDerWaalsContact C-N 3.27Å; L337-G339 PolarHBondContact O-N 3.21Å; L337-F889 HydrophobicContact CB-CD1 4.12Å; L337-F889 HydrophobicContact CB-CE1 3.59Å; L337-F889 HydrophobicContact CB-CE2 4.2Å; L337-F889 HydrophobicContact CB-CZ 3.63Å; L337-F889 HydrophobicContact CD1-CE1 3.74Å; L337-F889 HydrophobicContact CD1-CZ 4.11Å; L337-F889 HydrophobicContact CG-CE1 4.32Å; L337-F889 HydrophobicContact CG-CZ 4.44Å
338	K	88.3	Confident	91.1	Very high	63 Å²	63	63.9 Å²	63.9	27%	0.274	34%	0.342	S	S	.	.	H	α-helix	trans	-67.3	-27.9	172.7	-175.5	177.2	176.8	-67.2	0	112.8	M334 V335 Y347 F889	M334-K338 WeakPolarHBondContact O-CB 3.43Å; M334-K338 PolarHBondContact O-N 3.11Å; V335-K338 PolarHBondContact O-N 3.04Å; K338-Y347 HydrophobicContact CD-CD1 4.49Å; K338-F889 HydrophobicContact CB-CB 3.75Å; K338-F889 HydrophobicContact CB-CD2 4.48Å; K338-F889 HydrophobicContact CB-CG 4.2Å; K338-F889 HydrophobicContact CD-CB 4.25Å; K338-F889 HydrophobicContact CG-CB 4.06Å
339	G	87.7	Confident	91	Very high	29 Å²	29	64.4 Å²	64.4	30%	0.299	34%	0.339	S	S	.	.			trans	94	142.6	-172.2	0	0	0	0	0	113.3	V335 A336 L337 S341	V335-G339 CarbonylContact O-C 3.5Å; V335-G339 PolarHBondContact O-N 2.98Å; A336-G339 PolarHBondContact O-N 3.22Å; L337-G339 VanDerWaalsContact C-N 3.27Å; L337-G339 PolarHBondContact O-N 3.21Å; G339-S341 PolarHBondContact O-N 3.12Å
340	F	89.7	Confident	90.9	Very high	125 Å²	125	63.5 Å²	63.5	55%	0.548	33%	0.329	S	S	.	.	S	Bend	trans	-78.4	55.7	-179.6	-65.6	-77.2	0	0	0	113.1	V335 A336 W344	V335-F340 HydrophobicContact CG1-CD1 4Å; V335-F340 HydrophobicContact CG1-CE1 3.94Å; A336-F340 HydrophobicContact CB-CE2 4.19Å; A336-F340 HydrophobicContact CB-CZ 4.15Å; F340-W344 HydrophobicContact CD1-CB 4.32Å; F340-W344 HydrophobicContact CD1-CD2 4.2Å; F340-W344 HydrophobicContact CD1-CE3 4.36Å; F340-W344 HydrophobicContact CD1-CG 4.18Å; F340-W344 HydrophobicContact CE1-CE3 4.43Å
341	S	81.7	Confident	90.9	Very high	70 Å²	70	61.3 Å²	61.3	49%	0.49	32%	0.318	S	S	.	.			trans	-96.6	134.1	177.8	64.2	0	0	0	0	112.1	G339	G339-S341 PolarHBondContact O-N 3.12Å
342	G	84.5	Confident	90.9	Very high	70 Å²	70	61.6 Å²	61.6	72%	0.722	32%	0.319	S	S	*	.	S	Bend	trans	67.3	-141.1	171.8	0	0	0	0	0	114.2	W344	G342-W344 PolarHBondContact O-N 2.95Å
343	S	87	Confident	90.7	Very high	48 Å²	48	58 Å²	58	34%	0.336	30%	0.301	S	S	.	.	S	Bend	trans	-74.6	59.5	176.8	-50.4	0	0	0	0	112.6	Y345 K346	S343-Y345 PolarHBondContact O-N 2.91Å; S343-Y345 VanDerWaalsContact O-N 3.15Å; S343-K346 WeakPolarHBondContact O-CB 3.32Å; S343-K346 PolarHBondContact O-N 2.91Å
344	W	90	Very high	90.6	Very high	109 Å²	109	54.6 Å²	54.6	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-53.9	-34.1	-177.9	66	-94.9	0	0	0	112.8	V335 F340 G342 K346 Y347 W348	V335-W344 HydrophobicContact CG1-CB 4.17Å; F340-W344 HydrophobicContact CD1-CB 4.32Å; F340-W344 HydrophobicContact CD1-CD2 4.2Å; F340-W344 HydrophobicContact CD1-CE3 4.36Å; F340-W344 HydrophobicContact CD1-CG 4.18Å; F340-W344 HydrophobicContact CE1-CE3 4.43Å; G342-W344 PolarHBondContact O-N 2.95Å; W344-K346 VanDerWaalsContact C-N 3.29Å; W344-K346 PolarHBondContact O-N 3.12Å; W344-Y347 WeakPolarHBondContact O-CB 3.38Å; W344-Y347 PolarHBondContact O-N 3.48Å; W344-Y347 VanDerWaalsContact O-N 3.16Å; W344-W348 HydrophobicContact CE3-CB 4.46Å; W344-W348 PolarHBondContact O-N 3.01Å
345	Y	90.6	Very high	90.6	Very high	123 Å²	123	54.1 Å²	54.1	48%	0.482	28%	0.281	S	S	.	.	H	α-helix	trans	-63.8	-31.7	178.4	65.8	-92.9	0	0	0	112.7	S343 W348 W349	S343-Y345 PolarHBondContact O-N 2.91Å; S343-Y345 VanDerWaalsContact O-N 3.15Å; Y345-W348 PolarHBondContact O-N 3.16Å; Y345-W349 PolarHBondContact O-N 2.99Å
346	K	91.2	Very high	90.5	Very high	44 Å²	44	54.5 Å²	54.5	19%	0.191	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-43	174.4	-60.8	-172.9	-170.8	-168.1	0	110.4	E101 L102 S343 W344 W349 R350	E101-K346 IonicContact OE1-NZ 3.95Å; E101-K346 PolarHBondContact OE1-NZ 2.91Å; E101-K346 WeakPolarHBondContact OE2-CE 3.3Å; E101-K346 IonicContact OE2-NZ 2.64Å; E101-K346 PolarHBondContact OE2-NZ 3.22Å; L102-K346 HydrophobicContact CD2-CB 4.45Å; L102-K346 HydrophobicContact CD2-CG 4.49Å; S343-K346 WeakPolarHBondContact O-CB 3.32Å; S343-K346 PolarHBondContact O-N 2.91Å; W344-K346 VanDerWaalsContact C-N 3.29Å; W344-K346 PolarHBondContact O-N 3.12Å; K346-W349 PolarHBondContact O-N 3.35Å; K346-R350 WeakPolarHBondContact O-CG 3.42Å; K346-R350 PolarHBondContact O-N 3.15Å
347	Y	90.4	Very high	90.3	Very high	88 Å²	88	54.5 Å²	54.5	35%	0.345	27%	0.273	S	S	.	.	H	α-helix	trans	-64.8	-44.4	175.1	-70.9	-76	0	0	0	111.8	K338 W344 W349 R350 F351	K338-Y347 HydrophobicContact CD-CD1 4.49Å; W344-Y347 WeakPolarHBondContact O-CB 3.38Å; W344-Y347 PolarHBondContact O-N 3.48Å; W344-Y347 VanDerWaalsContact O-N 3.16Å; Y347-W349 VanDerWaalsContact C-N 3.33Å; Y347-W349 PolarHBondContact O-N 3.02Å; Y347-R350 PolarHBondContact O-N 3.48Å; Y347-F351 WeakPolarHBondContact O-CD2 3.2Å; Y347-F351 PolarHBondContact O-N 2.82Å
348	W	93.3	Very high	90.3	Very high	61 Å²	61	49.7 Å²	49.7	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-55.4	-48.9	176.1	177.9	73.3	0	0	0	111.4	V328 V335 W344 Y345 R350 F351 V352	V328-W348 HydrophobicContact CG1-CZ2 4.04Å; V335-W348 HydrophobicContact CG2-CB 3.85Å; W344-W348 HydrophobicContact CE3-CB 4.46Å; W344-W348 PolarHBondContact O-N 3.01Å; Y345-W348 PolarHBondContact O-N 3.16Å; W348-R350 PolarHBondContact O-N 3.47Å; W348-F351 WeakPolarHBondContact O-CB 3.33Å; W348-F351 PolarHBondContact O-N 3.38Å; W348-V352 HydrophobicContact CD2-CG2 4.19Å; W348-V352 HydrophobicContact CH2-CG2 4.29Å; W348-V352 HydrophobicContact CZ2-CG2 3.88Å; W348-V352 WeakPolarHBondContact O-CG2 3.33Å; W348-V352 PolarHBondContact O-N 2.93Å
349	W	93.6	Very high	90.3	Very high	57 Å²	57	46.8 Å²	46.8	22%	0.216	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-41.3	178.1	-168.5	-88.6	0	0	0	112.8	V92 S96 L102 Y345 K346 Y347 F351 V352 V353	V92-W349 HydrophobicContact CG1-CH2 3.94Å; V92-W349 HydrophobicContact CG1-CZ2 4.35Å; S96-W349 VanDerWaalsContact CB-CZ2 3.43Å; S96-W349 PolarHBondContact OG-NE1 3.31Å; L102-W349 HydrophobicContact CD1-CG 4.18Å; L102-W349 HydrophobicContact CD2-CB 4Å; L102-W349 HydrophobicContact CD2-CG 4.1Å; Y345-W349 PolarHBondContact O-N 2.99Å; K346-W349 PolarHBondContact O-N 3.35Å; Y347-W349 VanDerWaalsContact C-N 3.33Å; Y347-W349 PolarHBondContact O-N 3.02Å; W349-F351 VanDerWaalsContact C-N 3.26Å; W349-F351 PolarHBondContact O-N 3.13Å; W349-V352 WeakPolarHBondContact O-CB 3.3Å; W349-V352 PolarHBondContact O-N 3.41Å; W349-V352 VanDerWaalsContact O-N 3.12Å; W349-V353 WeakPolarHBondContact O-CG2 3.33Å; W349-V353 PolarHBondContact O-N 3.25Å
350	R	92.3	Very high	90.2	Very high	80 Å²	80	45.7 Å²	45.7	30%	0.302	22%	0.223	S	C	.	.	H	α-helix	trans	-58.3	-39.7	173.6	-73.5	178.8	177.4	-167.9	-3.3	111.7	E101 V104 K346 Y347 W348 V353 L354 A891	E101-R350 PolarHBondContact O-NE 3.05Å; E101-R350 PolarHBondContact O-NH2 3.4Å; V104-R350 HydrophobicContact CG2-CB 3.78Å; V104-R350 HydrophobicContact CG2-CG 3.77Å; K346-R350 WeakPolarHBondContact O-CG 3.42Å; K346-R350 PolarHBondContact O-N 3.15Å; Y347-R350 PolarHBondContact O-N 3.48Å; W348-R350 PolarHBondContact O-N 3.47Å; R350-V353 PolarHBondContact O-N 3.41Å; R350-L354 WeakPolarHBondContact O-CB 3.42Å; R350-L354 WeakPolarHBondContact O-CG 3.45Å; R350-L354 PolarHBondContact O-N 3.03Å; R350-A891 HydrophobicContact CB-CB 4.05Å
351	F	94	Very high	89.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.5	-39.3	173.3	-75.5	-60	0	0	0	113.1	A331 M334 V335 Y347 W348 W349 V353 L354 F355 F889 A891	A331-F351 HydrophobicContact CB-CB 3.84Å; M334-F351 HydrophobicContact CB-CD1 4.21Å; M334-F351 HydrophobicContact CB-CD2 4.06Å; M334-F351 HydrophobicContact CB-CE1 4.2Å; M334-F351 HydrophobicContact CB-CE2 4.03Å; M334-F351 HydrophobicContact CB-CG 4.15Å; M334-F351 HydrophobicContact CB-CZ 4.09Å; M334-F351 HydrophobicContact CE-CE1 4.32Å; V335-F351 HydrophobicContact CG2-CD2 3.77Å; V335-F351 HydrophobicContact CG2-CE2 4.14Å; Y347-F351 WeakPolarHBondContact O-CD2 3.2Å; Y347-F351 PolarHBondContact O-N 2.82Å; W348-F351 WeakPolarHBondContact O-CB 3.33Å; W348-F351 PolarHBondContact O-N 3.38Å; W349-F351 VanDerWaalsContact C-N 3.26Å; W349-F351 PolarHBondContact O-N 3.13Å; F351-V353 VanDerWaalsContact C-N 3.29Å; F351-V353 PolarHBondContact O-N 2.88Å; F351-L354 HydrophobicContact CD1-CD1 4.26Å; F351-L354 PolarHBondContact O-N 3.44Å; F351-F355 HydrophobicContact CB-CD2 4.33Å; F351-F355 HydrophobicContact CB-CE2 4.15Å; F351-F355 HydrophobicContact CD1-CE2 4.05Å; F351-F355 HydrophobicContact CD1-CZ 4.07Å; F351-F355 HydrophobicContact CG-CE2 4.43Å; F351-F355 WeakPolarHBondContact O-CB 3.43Å; F351-F355 WeakPolarHBondContact O-CD2 3.49Å; F351-F355 WeakPolarHBondContact O-CG 3.44Å; F351-F355 PolarHBondContact O-N 2.84Å; F351-F889 WeakPolarHBondContact CZ-O 3.08Å; F351-A891 HydrophobicContact CD1-CB 4.43Å; F351-A891 HydrophobicContact CE1-CB 4.08Å; F351-A891 HydrophobicContact CZ-CB 4.16Å
352	V	93.8	Very high	89.7	Confident	6 Å²	6	38.8 Å²	38.8	4%	0.036	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-43.1	172.7	171.9	0	0	0	0	110.8	L327 A331 W348 W349 S356	L327-V352 HydrophobicContact CD2-CG1 4.3Å; L327-V352 HydrophobicContact CG-CG1 4.45Å; A331-V352 HydrophobicContact CB-CB 4.47Å; A331-V352 HydrophobicContact CB-CG2 3.56Å; W348-V352 HydrophobicContact CD2-CG2 4.19Å; W348-V352 HydrophobicContact CH2-CG2 4.29Å; W348-V352 HydrophobicContact CZ2-CG2 3.88Å; W348-V352 WeakPolarHBondContact O-CG2 3.33Å; W348-V352 PolarHBondContact O-N 2.93Å; W349-V352 WeakPolarHBondContact O-CB 3.3Å; W349-V352 PolarHBondContact O-N 3.41Å; W349-V352 VanDerWaalsContact O-N 3.12Å; V352-S356 WeakPolarHBondContact O-CB 3.29Å; V352-S356 PolarHBondContact O-N 2.89Å
353	V	91.9	Very high	89.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.4	-45.8	176.3	173.4	0	0	0	0	110.9	Q97 V104 Y110 W349 R350 F351 F355 S356	Q97-V353 VanDerWaalsContact NE2-CG2 3.32Å; V104-V353 HydrophobicContact CB-CG1 4.2Å; V104-V353 HydrophobicContact CG2-CB 4.3Å; V104-V353 HydrophobicContact CG2-CG1 4.16Å; Y110-V353 HydrophobicContact CE1-CG1 4.04Å; Y110-V353 WeakPolarHBondContact OH-CG1 3.46Å; W349-V353 WeakPolarHBondContact O-CG2 3.33Å; W349-V353 PolarHBondContact O-N 3.25Å; R350-V353 PolarHBondContact O-N 3.41Å; F351-V353 VanDerWaalsContact C-N 3.29Å; F351-V353 PolarHBondContact O-N 2.88Å; V353-F355 PolarHBondContact O-N 3.27Å; V353-S356 WeakPolarHBondContact O-CB 3.31Å; V353-S356 PolarHBondContact O-N 3.36Å; V353-S356 PolarHBondContact O-OG 3.09Å
354	L	91.5	Very high	89.7	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-40.5	178.9	-80.2	167.9	0	0	0	113.1	V104 R350 F351 S356 Y357 Q880 A891 P893	V104-L354 HydrophobicContact CG1-CD1 4.31Å; V104-L354 HydrophobicContact CG1-CD2 3.55Å; V104-L354 HydrophobicContact CG1-CG 3.82Å; V104-L354 HydrophobicContact CG2-CG 4.45Å; R350-L354 WeakPolarHBondContact O-CB 3.42Å; R350-L354 WeakPolarHBondContact O-CG 3.45Å; R350-L354 PolarHBondContact O-N 3.03Å; F351-L354 HydrophobicContact CD1-CD1 4.26Å; F351-L354 PolarHBondContact O-N 3.44Å; L354-S356 VanDerWaalsContact C-N 3.33Å; L354-Y357 WeakPolarHBondContact O-CD2 3.46Å; L354-Q880 HydrophobicContact CB-CG 4.31Å; L354-Q880 HydrophobicContact CD2-CG 4.42Å; L354-A891 HydrophobicContact CD1-CB 3.77Å; L354-P893 HydrophobicContact CD2-CB 3.98Å
355	F	93.7	Very high	89.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-87.4	-4.2	-179.8	-62.1	-31.3	0	0	0	113.1	L327 L330 A331 M334 F351 V353 Y357 I358 T877 Q880 A881	L327-F355 HydrophobicContact CD1-CB 3.28Å; L327-F355 WeakPolarHBondContact CD1-O 3.44Å; L330-F355 HydrophobicContact CB-CD2 4.32Å; L330-F355 HydrophobicContact CD2-CB 4.47Å; L330-F355 HydrophobicContact CD2-CD1 4.29Å; L330-F355 HydrophobicContact CD2-CD2 3.73Å; L330-F355 HydrophobicContact CD2-CE1 4.48Å; L330-F355 HydrophobicContact CD2-CE2 3.94Å; L330-F355 HydrophobicContact CD2-CG 3.92Å; L330-F355 HydrophobicContact CD2-CZ 4.31Å; L330-F355 HydrophobicContact CG-CD2 3.79Å; L330-F355 HydrophobicContact CG-CE2 3.71Å; L330-F355 HydrophobicContact CG-CG 4.48Å; L330-F355 HydrophobicContact CG-CZ 4.35Å; A331-F355 HydrophobicContact CB-CD2 4.39Å; M334-F355 HydrophobicContact CB-CE2 4.44Å; M334-F355 HydrophobicContact CE-CZ 4.38Å; M334-F355 HydrophobicContact CG-CE2 3.58Å; M334-F355 HydrophobicContact CG-CZ 3.74Å; F351-F355 HydrophobicContact CB-CD2 4.33Å; F351-F355 HydrophobicContact CB-CE2 4.15Å; F351-F355 HydrophobicContact CD1-CE2 4.05Å; F351-F355 HydrophobicContact CD1-CZ 4.07Å; F351-F355 HydrophobicContact CG-CE2 4.43Å; F351-F355 WeakPolarHBondContact O-CB 3.43Å; F351-F355 WeakPolarHBondContact O-CD2 3.49Å; F351-F355 WeakPolarHBondContact O-CG 3.44Å; F351-F355 PolarHBondContact O-N 2.84Å; V353-F355 PolarHBondContact O-N 3.27Å; F355-Y357 PolarHBondContact O-N 3.3Å; F355-I358 WeakPolarHBondContact O-CB 3.42Å; F355-I358 WeakPolarHBondContact O-CG2 3.4Å; F355-I358 PolarHBondContact O-N 2.89Å; F355-T877 HydrophobicContact CB-CG2 3.9Å; F355-T877 HydrophobicContact CD1-CG2 3.82Å; F355-T877 HydrophobicContact CG-CG2 4.07Å; F355-T877 PolarHBondContact O-OG1 2.87Å; F355-Q880 HydrophobicContact CD1-CG 4.18Å; F355-Q880 HydrophobicContact CE1-CB 4.34Å; F355-Q880 HydrophobicContact CE1-CG 3.95Å; F355-A881 HydrophobicContact CE1-CB 3.74Å; F355-A881 HydrophobicContact CZ-CB 3.89Å
356	S	90.6	Very high	89.4	Confident	9 Å²	9	24.7 Å²	24.7	6%	0.063	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-57.5	-23.6	-179.6	66.4	0	0	0	0	113.9	V352 V353 L354 I358 I359	V352-S356 WeakPolarHBondContact O-CB 3.29Å; V352-S356 PolarHBondContact O-N 2.89Å; V353-S356 WeakPolarHBondContact O-CB 3.31Å; V353-S356 PolarHBondContact O-N 3.36Å; V353-S356 PolarHBondContact O-OG 3.09Å; L354-S356 VanDerWaalsContact C-N 3.33Å; S356-I358 PolarHBondContact O-N 3.2Å; S356-I358 VanDerWaalsContact O-N 3.08Å; S356-I359 PolarHBondContact O-N 3.1Å
357	Y	89.3	Confident	89.2	Confident	50 Å²	50	22.8 Å²	22.8	20%	0.196	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-58	-19.4	174.1	-66.5	-70.9	0	0	0	113.7	L354 F355 I359 G873 I876 Y900	L354-Y357 WeakPolarHBondContact O-CD2 3.46Å; F355-Y357 PolarHBondContact O-N 3.3Å; Y357-I359 PolarHBondContact O-N 3.04Å; Y357-G873 CarbonylContact C-O 3.56Å; Y357-G873 CarbonylContact O-C 3.46Å; Y357-G873 WeakPolarHBondContact O-CA 3.31Å; Y357-I876 HydrophobicContact CD2-CG2 4.31Å; Y357-I876 HydrophobicContact CG-CG2 4.26Å; Y357-Y900 HydrophobicContact CE1-CD1 4.25Å; Y357-Y900 HydrophobicContact CE1-CG 4.13Å; Y357-Y900 HydrophobicContact CE2-CD1 4.26Å; Y357-Y900 HydrophobicContact CE2-CD2 4.29Å; Y357-Y900 HydrophobicContact CE2-CE1 4.28Å; Y357-Y900 HydrophobicContact CE2-CE2 4.3Å; Y357-Y900 HydrophobicContact CE2-CG 4.27Å; Y357-Y900 AromaticContact CZ-CD2 3.96Å; Y357-Y900 AromaticContact CZ-CG 3.76Å; Y357-Y900 WeakPolarHBondContact OH-CD2 3.49Å
358	I	90.8	Very high	89.1	Confident	7 Å²	7	18.6 Å²	18.6	4%	0.036	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-58.4	-29.1	171.7	-153.6	-174.3	0	0	0	112.1	L323 I326 L327 F355 S356 P360 T877	L323-I358 HydrophobicContact CD2-CD1 3.62Å; L323-I358 HydrophobicContact CD2-CG1 3.61Å; L323-I358 HydrophobicContact CD2-CG2 4.44Å; I326-I358 HydrophobicContact CG2-CD1 4.01Å; L327-I358 HydrophobicContact CB-CG2 3.98Å; L327-I358 HydrophobicContact CD1-CG2 4.16Å; L327-I358 HydrophobicContact CG-CG2 4.49Å; F355-I358 WeakPolarHBondContact O-CB 3.42Å; F355-I358 WeakPolarHBondContact O-CG2 3.4Å; F355-I358 PolarHBondContact O-N 2.89Å; S356-I358 PolarHBondContact O-N 3.2Å; S356-I358 VanDerWaalsContact O-N 3.08Å; I358-P360 WeakPolarHBondContact O-CD 3.28Å; I358-T877 WeakPolarHBondContact CA-OG1 3.24Å; I358-T877 HydrophobicContact CB-CG2 4.1Å; I358-T877 WeakPolarHBondContact CB-OG1 3.33Å; I358-T877 HydrophobicContact CD1-CG2 4.47Å; I358-T877 HydrophobicContact CG1-CG2 4.36Å; I358-T877 PolarHBondContact N-OG1 3Å
359	I	89.3	Confident	88.9	Confident	3 Å²	3	18.5 Å²	18.5	2%	0.015	9%	0.086	C	C	.	.	S	Bend	trans	-100.6	91.6	169.3	-57.5	173.7	0	0	0	106.7	L86 V89 F90 T320 L323 F324 L327 S356 Y357 L361	L86-I359 HydrophobicContact CD1-CG2 3.26Å; V89-I359 HydrophobicContact CG1-CD1 4.31Å; F90-I359 HydrophobicContact CE1-CB 4.46Å; F90-I359 HydrophobicContact CE1-CG2 4.1Å; F90-I359 VanDerWaalsContact CE1-O 3.24Å; F90-I359 WeakPolarHBondContact CE1-O 3.29Å; F90-I359 HydrophobicContact CZ-CB 4.48Å; F90-I359 HydrophobicContact CZ-CG2 3.73Å; F90-I359 VanDerWaalsContact CZ-O 3.28Å; F90-I359 WeakPolarHBondContact CZ-O 3.08Å; T320-I359 HydrophobicContact CG2-CD1 4.39Å; T320-I359 HydrophobicContact CG2-CG2 3.81Å; L323-I359 HydrophobicContact CB-CD1 4.37Å; L323-I359 HydrophobicContact CB-CG1 3.85Å; F324-I359 HydrophobicContact CB-CD1 3.82Å; F324-I359 HydrophobicContact CD2-CD1 4.09Å; F324-I359 HydrophobicContact CG-CD1 4.48Å; L327-I359 HydrophobicContact CD2-CD1 4.38Å; S356-I359 PolarHBondContact O-N 3.1Å; Y357-I359 PolarHBondContact O-N 3.04Å; I359-L361 PolarHBondContact O-N 2.65Å
360	P	85.9	Confident	88.9	Confident	6 Å²	6	15.8 Å²	15.8	4%	0.039	8%	0.076	C	C	.	.			trans	-64.3	121.6	-174.5	27.7	-40.9	0	0	0	112.8	I358 A362 L363 V869 I870	I358-P360 WeakPolarHBondContact O-CD 3.28Å; P360-A362 PolarHBondContact O-N 2.96Å; P360-L363 HydrophobicContact CG-CB 3.93Å; P360-L363 HydrophobicContact CG-CD2 4.48Å; P360-L363 VanDerWaalsContact O-CB 3.27Å; P360-L363 WeakPolarHBondContact O-CB 3.48Å; P360-L363 PolarHBondContact O-N 3.4Å; P360-L363 VanDerWaalsContact O-N 3.09Å; P360-V869 HydrophobicContact CB-CG1 3.7Å; P360-V869 WeakPolarHBondContact CB-O 3.23Å; P360-V869 HydrophobicContact CG-CG1 3.76Å; P360-V869 WeakPolarHBondContact CG-O 3.46Å; P360-I870 HydrophobicContact CG-CG1 4.09Å
361	L	77.7	Confident	88.9	Confident	34 Å²	34	12 Å²	12	18%	0.178	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31	176.8	-176.7	52.6	0	0	0	113.3	F90 P113 V117 I359 L363	F90-L361 HydrophobicContact CB-CD1 4.12Å; F90-L361 HydrophobicContact CD1-CD1 3.97Å; F90-L361 HydrophobicContact CD2-CD1 3.28Å; F90-L361 HydrophobicContact CE1-CB 4.05Å; F90-L361 HydrophobicContact CE1-CD1 4.17Å; F90-L361 HydrophobicContact CE2-CB 4.26Å; F90-L361 HydrophobicContact CE2-CD1 3.48Å; F90-L361 VanDerWaalsContact CE2-CD1 3.48Å; F90-L361 HydrophobicContact CE2-CG 4.46Å; F90-L361 HydrophobicContact CG-CD1 3.55Å; F90-L361 HydrophobicContact CZ-CB 3.91Å; F90-L361 HydrophobicContact CZ-CD1 3.95Å; P113-L361 HydrophobicContact CB-CD2 3.53Å; P113-L361 HydrophobicContact CB-CG 4Å; P113-L361 HydrophobicContact CG-CD2 3.97Å; V117-L361 HydrophobicContact CG2-CD1 4.19Å; I359-L361 PolarHBondContact O-N 2.65Å; L361-L363 VanDerWaalsContact C-N 3.26Å; L361-L363 PolarHBondContact O-N 3.15Å
362	A	82.7	Confident	88.8	Confident	15 Å²	15	15.1 Å²	15.1	12%	0.124	8%	0.078	C	C	.	.	H	α-helix	trans	-73	-12.9	178.1	0	0	0	0	0	114.1	P360 R364 V365 N366	P360-A362 PolarHBondContact O-N 2.96Å; A362-R364 VanDerWaalsContact C-N 3.3Å; A362-R364 PolarHBondContact O-N 3.46Å; A362-V365 PolarHBondContact O-N 2.99Å; A362-N366 WeakPolarHBondContact O-CB 3.41Å; A362-N366 VanDerWaalsContact O-CG 3.28Å; A362-N366 PolarHBondContact O-N 3.18Å
363	L	88	Confident	88.7	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-57.5	-44.9	-177.4	178.1	62.4	0	0	0	111.9	I316 P360 L361 M367 A866 V869 I870	I316-L363 HydrophobicContact CG2-CD2 3.79Å; P360-L363 HydrophobicContact CG-CB 3.93Å; P360-L363 HydrophobicContact CG-CD2 4.48Å; P360-L363 VanDerWaalsContact O-CB 3.27Å; P360-L363 WeakPolarHBondContact O-CB 3.48Å; P360-L363 PolarHBondContact O-N 3.4Å; P360-L363 VanDerWaalsContact O-N 3.09Å; L361-L363 VanDerWaalsContact C-N 3.26Å; L361-L363 PolarHBondContact O-N 3.15Å; L363-M367 HydrophobicContact CD1-CG 4.36Å; L363-M367 HydrophobicContact CD1-SD 4.19Å; L363-M367 HydrophobicContact CG-SD 4.27Å; L363-M367 VanDerWaalsContact O-CG 3.27Å; L363-M367 WeakPolarHBondContact O-CG 3.47Å; L363-M367 PolarHBondContact O-N 3.19Å; L363-M367 VanDerWaalsContact O-N 3.1Å; L363-A866 HydrophobicContact CD1-CB 3.96Å; L363-V869 HydrophobicContact CB-CG1 3.85Å; L363-V869 HydrophobicContact CD1-CB 4.07Å; L363-V869 HydrophobicContact CD1-CG1 4.17Å; L363-I870 HydrophobicContact CD2-CD1 4.19Å; L363-I870 HydrophobicContact CD2-CG1 4.04Å
364	R	84.1	Confident	88.9	Confident	33 Å²	33	16.6 Å²	16.6	13%	0.125	9%	0.086	C	C	.	.	H	α-helix	trans	-64.1	-47.3	-179.4	-175.3	63.1	-169.1	-162.6	-3	111.8	L86 V117 A362 N366 M367 D368	L86-R364 HydrophobicContact CD2-CB 3.95Å; V117-R364 HydrophobicContact CG1-CB 4.02Å; V117-R364 HydrophobicContact CG1-CG 3.79Å; A362-R364 VanDerWaalsContact C-N 3.3Å; A362-R364 PolarHBondContact O-N 3.46Å; R364-N366 PolarHBondContact O-N 3.41Å; R364-M367 PolarHBondContact O-N 3.39Å; R364-D368 IonicContact CZ-OD1 2.72Å; R364-D368 IonicContact CZ-OD2 3.93Å; R364-D368 IonicContact NE-OD1 3.28Å; R364-D368 IonicContact NE-OD2 2.68Å; R364-D368 PolarHBondContact NE-OD2 2.92Å; R364-D368 IonicContact NH2-OD1 3.35Å; R364-D368 IonicContact NH2-OD2 3.21Å; R364-D368 WeakPolarHBondContact O-CB 3.34Å; R364-D368 PolarHBondContact O-N 3.5Å
365	V	84	Confident	88.9	Confident	16 Å²	16	16.7 Å²	16.7	10%	0.097	9%	0.087	C	C	.	.	H	α-helix	trans	-60.6	-47.1	179.9	179.1	0	0	0	0	111	F116 V117 A362 M367 D368 L369	F116-V365 HydrophobicContact CD1-CG1 4.37Å; F116-V365 HydrophobicContact CD1-CG2 4.34Å; F116-V365 HydrophobicContact CE1-CG1 3.84Å; V117-V365 HydrophobicContact CB-CG2 3.85Å; V117-V365 HydrophobicContact CG1-CG2 3.99Å; V117-V365 HydrophobicContact CG2-CG2 3.25Å; A362-V365 PolarHBondContact O-N 2.99Å; V365-M367 VanDerWaalsContact C-N 3.31Å; V365-M367 PolarHBondContact O-N 3.06Å; V365-D368 PolarHBondContact O-N 3.45Å; V365-L369 WeakPolarHBondContact O-CB 3.25Å; V365-L369 PolarHBondContact O-N 3.19Å
366	N	88.5	Confident	88.9	Confident	3 Å²	3	22.5 Å²	22.5	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-41.4	-178	-72.6	-10.8	0	0	0	111.3	A362 R364 A370 L865 V869 M909	A362-N366 WeakPolarHBondContact O-CB 3.41Å; A362-N366 VanDerWaalsContact O-CG 3.28Å; A362-N366 PolarHBondContact O-N 3.18Å; R364-N366 PolarHBondContact O-N 3.41Å; N366-A370 WeakPolarHBondContact O-CB 3.23Å; N366-A370 PolarHBondContact O-N 3.45Å; N366-L865 HydrophobicContact CB-CD1 4.41Å; N366-L865 HydrophobicContact CB-CD2 4.24Å; N366-L865 HydrophobicContact CB-CG 4.45Å; N366-V869 HydrophobicContact CB-CG2 4.33Å; N366-V869 VanDerWaalsContact ND2-CG2 3.29Å; N366-V869 WeakPolarHBondContact ND2-CG2 3.21Å; N366-M909 WeakPolarHBondContact OD1-CE 3.16Å; N366-M909 PolarHBondContact OD1-SD 2.86Å
367	M	88.4	Confident	89.1	Confident	5 Å²	5	25 Å²	25	3%	0.025	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-45.4	174.5	-71.8	-178.5	70.2	0	0	112.5	D313 I316 L363 R364 V365 L369 A370 K371 T862	D313-M367 WeakPolarHBondContact OD1-CE 3.32Å; I316-M367 HydrophobicContact CD1-CE 3.33Å; I316-M367 HydrophobicContact CD1-SD 3.47Å; I316-M367 WeakPolarHBondContact CD1-SD 3.38Å; I316-M367 HydrophobicContact CG2-SD 4.34Å; L363-M367 HydrophobicContact CD1-CG 4.36Å; L363-M367 HydrophobicContact CD1-SD 4.19Å; L363-M367 HydrophobicContact CG-SD 4.27Å; L363-M367 VanDerWaalsContact O-CG 3.27Å; L363-M367 WeakPolarHBondContact O-CG 3.47Å; L363-M367 PolarHBondContact O-N 3.19Å; L363-M367 VanDerWaalsContact O-N 3.1Å; R364-M367 PolarHBondContact O-N 3.39Å; V365-M367 VanDerWaalsContact C-N 3.31Å; V365-M367 PolarHBondContact O-N 3.06Å; M367-L369 VanDerWaalsContact C-N 3.34Å; M367-L369 PolarHBondContact O-N 3.4Å; M367-A370 PolarHBondContact O-N 3.31Å; M367-K371 VanDerWaalsContact O-CG 3.31Å; M367-K371 WeakPolarHBondContact O-CG 3.43Å; M367-K371 PolarHBondContact O-N 3.19Å; M367-T862 HydrophobicContact CE-CG2 4.14Å
368	D	87.5	Confident	89.3	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.3	-36.5	-179.2	-73.7	-29.6	0	0	0	111.9	T121 R124 R364 V365 K371 I372	T121-D368 WeakPolarHBondContact CG2-OD2 3.21Å; R124-D368 IonicContact NH1-OD1 2.75Å; R124-D368 PolarHBondContact NH1-OD1 2.99Å; R364-D368 IonicContact CZ-OD1 2.72Å; R364-D368 IonicContact CZ-OD2 3.93Å; R364-D368 IonicContact NE-OD1 3.28Å; R364-D368 IonicContact NE-OD2 2.68Å; R364-D368 PolarHBondContact NE-OD2 2.92Å; R364-D368 IonicContact NH2-OD1 3.35Å; R364-D368 IonicContact NH2-OD2 3.21Å; R364-D368 WeakPolarHBondContact O-CB 3.34Å; R364-D368 PolarHBondContact O-N 3.5Å; V365-D368 PolarHBondContact O-N 3.45Å; D368-K371 WeakPolarHBondContact O-CB 3.27Å; D368-I372 WeakPolarHBondContact O-CG1 3.24Å; D368-I372 PolarHBondContact O-N 2.9Å
369	L	89.7	Confident	89.4	Confident	58 Å²	58	26.8 Å²	26.8	30%	0.304	14%	0.135	S	C	.	.	H	α-helix	trans	-68.3	-39.8	172.5	-172.4	64.9	0	0	0	111.6	V365 M367 K371 I372 V373 M909 F913	V365-L369 WeakPolarHBondContact O-CB 3.25Å; V365-L369 PolarHBondContact O-N 3.19Å; M367-L369 VanDerWaalsContact C-N 3.34Å; M367-L369 PolarHBondContact O-N 3.4Å; L369-K371 VanDerWaalsContact C-N 3.31Å; L369-K371 PolarHBondContact O-N 3.1Å; L369-I372 PolarHBondContact O-N 3.27Å; L369-V373 WeakPolarHBondContact O-CG2 3.42Å; L369-V373 PolarHBondContact O-N 3.26Å; L369-M909 HydrophobicContact CD2-CE 3.76Å; L369-F913 HydrophobicContact CB-CE2 3.73Å; L369-F913 HydrophobicContact CB-CZ 4.04Å; L369-F913 HydrophobicContact CD2-CD1 4.28Å; L369-F913 HydrophobicContact CD2-CD2 3.97Å; L369-F913 HydrophobicContact CD2-CE1 3.9Å; L369-F913 HydrophobicContact CD2-CE2 3.58Å; L369-F913 HydrophobicContact CD2-CG 4.32Å; L369-F913 HydrophobicContact CD2-CZ 3.56Å; L369-F913 HydrophobicContact CG-CD2 4.43Å; L369-F913 HydrophobicContact CG-CE1 4.12Å; L369-F913 HydrophobicContact CG-CE2 3.56Å; L369-F913 HydrophobicContact CG-CZ 3.39Å
370	A	92.9	Very high	89.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.5	-43.7	176.9	0	0	0	0	0	110.7	N366 M367 I372 V373 Y374 L865 F913 V916	N366-A370 WeakPolarHBondContact O-CB 3.23Å; N366-A370 PolarHBondContact O-N 3.45Å; M367-A370 PolarHBondContact O-N 3.31Å; A370-I372 VanDerWaalsContact C-N 3.32Å; A370-I372 PolarHBondContact O-N 3.36Å; A370-V373 PolarHBondContact O-N 3.44Å; A370-V373 VanDerWaalsContact O-N 3.11Å; A370-Y374 HydrophobicContact CB-CD2 4.43Å; A370-Y374 HydrophobicContact CB-CE2 3.74Å; A370-Y374 WeakPolarHBondContact O-CD2 3.4Å; A370-Y374 VanDerWaalsContact O-CG 3.27Å; A370-Y374 PolarHBondContact O-N 3.2Å; A370-L865 HydrophobicContact CB-CD2 3.74Å; A370-F913 HydrophobicContact CB-CE2 4.13Å; A370-V916 HydrophobicContact CB-CG2 3.6Å
371	K	92.6	Very high	89.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.1	-41.9	175	-75.3	174	-175.5	-178.4	0	113.5	D313 M367 D368 L369 S375 T392 N393 P395 E396	D313-K371 VanDerWaalsContact CG-NZ 3.31Å; D313-K371 IonicContact OD1-NZ 3.86Å; D313-K371 PolarHBondContact OD1-NZ 3.22Å; D313-K371 IonicContact OD2-NZ 3.73Å; D313-K371 PolarHBondContact OD2-NZ 3.46Å; M367-K371 VanDerWaalsContact O-CG 3.31Å; M367-K371 WeakPolarHBondContact O-CG 3.43Å; M367-K371 PolarHBondContact O-N 3.19Å; D368-K371 WeakPolarHBondContact O-CB 3.27Å; L369-K371 VanDerWaalsContact C-N 3.31Å; L369-K371 PolarHBondContact O-N 3.1Å; K371-S375 WeakPolarHBondContact O-CB 3.29Å; K371-S375 PolarHBondContact O-N 2.84Å; K371-S375 PolarHBondContact O-OG 3.41Å; K371-T392 WeakPolarHBondContact CB-O 3.28Å; K371-N393 WeakPolarHBondContact CE-O 3.05Å; K371-N393 PolarHBondContact NZ-O 3.41Å; K371-P395 HydrophobicContact CB-CG 4.07Å; K371-P395 HydrophobicContact CG-CG 3.9Å; K371-E396 WeakPolarHBondContact CE-OE1 3.28Å; K371-E396 WeakPolarHBondContact CE-OE2 3.24Å; K371-E396 WeakPolarHBondContact CG-OE1 3.22Å
372	I	90.9	Very high	90.4	Very high	67 Å²	67	45.2 Å²	45.2	34%	0.344	21%	0.209	S	C	.	.	H	α-helix	trans	-64.7	-46.4	175.6	-65.7	166.8	0	0	0	110.1	D368 L369 A370 S375 F376	D368-I372 WeakPolarHBondContact O-CG1 3.24Å; D368-I372 PolarHBondContact O-N 2.9Å; L369-I372 PolarHBondContact O-N 3.27Å; A370-I372 VanDerWaalsContact C-N 3.32Å; A370-I372 PolarHBondContact O-N 3.36Å; I372-S375 WeakPolarHBondContact O-CB 3.36Å; I372-S375 PolarHBondContact O-N 3.17Å; I372-F376 PolarHBondContact O-N 2.86Å
373	V	93	Very high	90.8	Very high	32 Å²	32	46.8 Å²	46.8	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-43.1	180	172.3	0	0	0	0	111.9	L369 A370 S375 F376 M377 F913 V916	L369-V373 WeakPolarHBondContact O-CG2 3.42Å; L369-V373 PolarHBondContact O-N 3.26Å; A370-V373 PolarHBondContact O-N 3.44Å; A370-V373 VanDerWaalsContact O-N 3.11Å; V373-S375 VanDerWaalsContact C-N 3.31Å; V373-S375 PolarHBondContact O-N 3.02Å; V373-F376 WeakPolarHBondContact O-CB 3.41Å; V373-F376 PolarHBondContact O-N 3.11Å; V373-M377 HydrophobicContact CG1-CE 3.29Å; V373-M377 HydrophobicContact CG1-SD 4.17Å; V373-M377 WeakPolarHBondContact O-CG 3.3Å; V373-M377 PolarHBondContact O-N 2.97Å; V373-F913 HydrophobicContact CB-CZ 4.28Å; V373-F913 HydrophobicContact CG2-CE1 3.9Å; V373-F913 HydrophobicContact CG2-CZ 3.65Å; V373-V916 HydrophobicContact CB-CG1 4Å; V373-V916 HydrophobicContact CG1-CG1 3.58Å
374	Y	95.2	Very high	90.8	Very high	5 Å²	5	46.8 Å²	46.8	2%	0.02	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-44	174.1	-63.2	-44.8	0	0	0	111.6	A370 F376 M377 I378 P395 C858 N861 T862 V916	A370-Y374 HydrophobicContact CB-CD2 4.43Å; A370-Y374 HydrophobicContact CB-CE2 3.74Å; A370-Y374 WeakPolarHBondContact O-CD2 3.4Å; A370-Y374 VanDerWaalsContact O-CG 3.27Å; A370-Y374 PolarHBondContact O-N 3.2Å; Y374-F376 VanDerWaalsContact C-N 3.29Å; Y374-F376 PolarHBondContact O-N 3.34Å; Y374-M377 PolarHBondContact O-N 3.12Å; Y374-M377 VanDerWaalsContact O-N 3.17Å; Y374-I378 VanDerWaalsContact O-CG1 3.28Å; Y374-I378 WeakPolarHBondContact O-CG1 3.42Å; Y374-I378 PolarHBondContact O-N 2.95Å; Y374-P395 HydrophobicContact CD2-CB 4.49Å; Y374-P395 HydrophobicContact CD2-CG 4.09Å; Y374-C858 HydrophobicContact CD1-CB 4.48Å; Y374-C858 HydrophobicContact CD2-CB 4.25Å; Y374-C858 HydrophobicContact CG-CB 4.27Å; Y374-C858 VanDerWaalsContact CG-SG 3.59Å; Y374-N861 HydrophobicContact CE1-CB 4.2Å; Y374-N861 WeakPolarHBondContact OH-CB 3.49Å; Y374-T862 WeakPolarHBondContact CE2-OG1 3.41Å; Y374-T862 PolarHBondContact OH-N 3.42Å; Y374-T862 PolarHBondContact OH-OG1 3.49Å; Y374-T862 VanDerWaalsContact OH-OG1 3.09Å; Y374-V916 HydrophobicContact CD1-CG1 3.88Å; Y374-V916 HydrophobicContact CE1-CB 4.26Å; Y374-V916 HydrophobicContact CE1-CG1 3.41Å; Y374-V916 VanDerWaalsContact CE1-CG1 3.41Å
375	S	93.1	Very high	91	Very high	5 Å²	5	48.2 Å²	48.2	4%	0.035	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-42.4	178.8	-58.5	0	0	0	0	110.8	K371 I372 V373 I378 M379	K371-S375 WeakPolarHBondContact O-CB 3.29Å; K371-S375 PolarHBondContact O-N 2.84Å; K371-S375 PolarHBondContact O-OG 3.41Å; I372-S375 WeakPolarHBondContact O-CB 3.36Å; I372-S375 PolarHBondContact O-N 3.17Å; V373-S375 VanDerWaalsContact C-N 3.31Å; V373-S375 PolarHBondContact O-N 3.02Å; S375-I378 PolarHBondContact O-N 3.23Å; S375-M379 VanDerWaalsContact O-CG 3.31Å; S375-M379 WeakPolarHBondContact O-CG 3.5Å; S375-M379 PolarHBondContact O-N 3.14Å; S375-M379 VanDerWaalsContact O-N 3.16Å
376	F	92.9	Very high	91.1	Very high	123 Å²	123	53.2 Å²	53.2	54%	0.539	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-40.7	174.3	-178.6	-100.7	0	0	0	113	I372 V373 Y374 M379 R380	I372-F376 PolarHBondContact O-N 2.86Å; V373-F376 WeakPolarHBondContact O-CB 3.41Å; V373-F376 PolarHBondContact O-N 3.11Å; Y374-F376 VanDerWaalsContact C-N 3.29Å; Y374-F376 PolarHBondContact O-N 3.34Å; F376-M379 PolarHBondContact O-N 2.76Å; F376-R380 WeakPolarHBondContact O-CB 3.34Å; F376-R380 PolarHBondContact O-N 2.93Å; F376-R380 VanDerWaalsContact O-N 3.15Å
377	M	93.6	Very high	91.2	Very high	62 Å²	62	53.3 Å²	53.3	31%	0.305	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-43	176.8	-73.5	174.5	-174.7	0	0	112.8	V373 Y374 M379 R380 D381 L917	V373-M377 HydrophobicContact CG1-CE 3.29Å; V373-M377 HydrophobicContact CG1-SD 4.17Å; V373-M377 WeakPolarHBondContact O-CG 3.3Å; V373-M377 PolarHBondContact O-N 2.97Å; Y374-M377 PolarHBondContact O-N 3.12Å; Y374-M377 VanDerWaalsContact O-N 3.17Å; M377-M379 VanDerWaalsContact C-N 3.31Å; M377-M379 PolarHBondContact O-N 3.43Å; M377-R380 PolarHBondContact O-N 3.2Å; M377-D381 PolarHBondContact O-N 2.99Å; M377-L917 HydrophobicContact CE-CD2 3.08Å; M377-L917 HydrophobicContact CE-CG 4.5Å
378	I	94.6	Very high	91.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-44.6	176.9	-69.2	165.4	0	0	0	110	Y374 S375 R380 D381 L384 V389 L398 F839 L850 H854	Y374-I378 VanDerWaalsContact O-CG1 3.28Å; Y374-I378 WeakPolarHBondContact O-CG1 3.42Å; Y374-I378 PolarHBondContact O-N 2.95Å; S375-I378 PolarHBondContact O-N 3.23Å; I378-R380 VanDerWaalsContact C-N 3.28Å; I378-R380 PolarHBondContact O-N 2.82Å; I378-D381 PolarHBondContact O-N 3.34Å; I378-L384 HydrophobicContact CG2-CD1 4.26Å; I378-V389 HydrophobicContact CB-CG2 3.99Å; I378-V389 HydrophobicContact CD1-CG2 4.44Å; I378-V389 HydrophobicContact CG2-CG2 3.76Å; I378-L398 HydrophobicContact CD1-CD1 3.95Å; I378-F839 HydrophobicContact CD1-CE1 4.05Å; I378-L850 HydrophobicContact CD1-CD1 4.28Å; I378-L850 HydrophobicContact CG1-CD1 4.47Å; I378-L850 HydrophobicContact CG2-CD1 3.78Å; I378-H854 HydrophobicContact CD1-CB 4.22Å; I378-H854 HydrophobicContact CG1-CB 3.87Å
379	M	92.9	Very high	91.4	Very high	94 Å²	94	57.5 Å²	57.5	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-68.8	-22.7	179.9	-69.3	175.4	61.3	0	0	114	S375 F376 M377 L388 V389	S375-M379 VanDerWaalsContact O-CG 3.31Å; S375-M379 WeakPolarHBondContact O-CG 3.5Å; S375-M379 PolarHBondContact O-N 3.14Å; S375-M379 VanDerWaalsContact O-N 3.16Å; F376-M379 PolarHBondContact O-N 2.76Å; M377-M379 VanDerWaalsContact C-N 3.31Å; M377-M379 PolarHBondContact O-N 3.43Å; M379-L388 HydrophobicContact CE-CD2 3.94Å; M379-V389 HydrophobicContact CG-CB 4.4Å; M379-V389 HydrophobicContact CG-CG2 4.01Å; M379-V389 HydrophobicContact SD-CB 4.31Å
380	R	92.3	Very high	91.2	Very high	192 Å²	192	57.8 Å²	57.8	73%	0.725	28%	0.282	S	S	*	.	H	α-helix	trans	-93.8	-6.9	179.7	-167.7	173.7	173.3	168.5	-0.4	113.2	F376 M377 I378 K382	F376-R380 WeakPolarHBondContact O-CB 3.34Å; F376-R380 PolarHBondContact O-N 2.93Å; F376-R380 VanDerWaalsContact O-N 3.15Å; M377-R380 PolarHBondContact O-N 3.2Å; I378-R380 VanDerWaalsContact C-N 3.28Å; I378-R380 PolarHBondContact O-N 2.82Å; R380-K382 PolarHBondContact O-N 3.1Å
381	D	92.3	Very high	90.8	Very high	34 Å²	34	58.4 Å²	58.4	18%	0.182	29%	0.286	C	S	.	.			trans	-67.5	122.2	-178.6	-173.6	2.6	0	0	0	111.3	M377 I378 A383 L384 Q849 H854	M377-D381 PolarHBondContact O-N 2.99Å; I378-D381 PolarHBondContact O-N 3.34Å; D381-A383 PolarHBondContact O-N 3.27Å; D381-A383 WeakPolarHBondContact OD1-CB 3.48Å; D381-A383 PolarHBondContact OD1-N 2.83Å; D381-L384 HydrophobicContact CB-CB 4.25Å; D381-L384 HydrophobicContact CB-CD1 4.33Å; D381-L384 HydrophobicContact CB-CG 4.42Å; D381-L384 CarbonylContact O-C 3.53Å; D381-L384 PolarHBondContact O-N 2.89Å; D381-L384 VanDerWaalsContact O-N 3.08Å; D381-Q849 PolarHBondContact OD2-NE2 2.94Å; D381-Q849 VanDerWaalsContact OD2-NE2 3.14Å; D381-H854 IonicContact OD2-CD2 3.58Å; D381-H854 IonicContact OD2-CE1 3.92Å; D381-H854 IonicContact OD2-NE2 2.71Å; D381-H854 PolarHBondContact OD2-NE2 3.37Å
382	K	90.1	Very high	90.5	Very high	203 Å²	203	59.4 Å²	59.4	88%	0.883	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-24.8	178.1	-63.8	-177.7	179.7	-178.4	0	112.5	R380 L384	R380-K382 PolarHBondContact O-N 3.1Å; K382-L384 PolarHBondContact O-N 3.49Å
383	A	89.6	Confident	90.3	Very high	48 Å²	48	57.5 Å²	57.5	40%	0.397	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.7	175.4	0	0	0	0	0	113	D381 P385 Q849	D381-A383 PolarHBondContact O-N 3.27Å; D381-A383 WeakPolarHBondContact OD1-CB 3.48Å; D381-A383 PolarHBondContact OD1-N 2.83Å; A383-P385 VanDerWaalsContact C-CD 3.48Å; A383-P385 WeakPolarHBondContact O-CD 3.49Å; A383-Q849 HydrophobicContact CB-CG 4Å
384	L	89.3	Confident	90.2	Very high	2 Å²	2	56 Å²	56	1%	0.01	27%	0.273	C	S	.	.	S	Bend	trans	-121.5	68.8	-178.3	-67.3	178.1	0	0	0	110.8	I378 D381 K382 N386 C387 H846 Q849 L850	I378-L384 HydrophobicContact CG2-CD1 4.26Å; D381-L384 HydrophobicContact CB-CB 4.25Å; D381-L384 HydrophobicContact CB-CD1 4.33Å; D381-L384 HydrophobicContact CB-CG 4.42Å; D381-L384 CarbonylContact O-C 3.53Å; D381-L384 PolarHBondContact O-N 2.89Å; D381-L384 VanDerWaalsContact O-N 3.08Å; K382-L384 PolarHBondContact O-N 3.49Å; L384-N386 PolarHBondContact O-N 3.46Å; L384-C387 HydrophobicContact CB-CB 3.75Å; L384-C387 WeakPolarHBondContact O-CB 3.34Å; L384-C387 PolarHBondContact O-N 3.35Å; L384-H846 HydrophobicContact CD2-CB 3.63Å; L384-H846 WeakPolarHBondContact CD2-O 3.44Å; L384-Q849 HydrophobicContact CD1-CG 4.15Å; L384-Q849 HydrophobicContact CD2-CB 3.8Å; L384-Q849 HydrophobicContact CD2-CG 3.76Å; L384-Q849 HydrophobicContact CG-CB 4.36Å; L384-Q849 HydrophobicContact CG-CG 3.74Å; L384-L850 HydrophobicContact CD1-CD1 4.37Å
385	P	87.7	Confident	90	Very high	63 Å²	63	55.8 Å²	55.8	41%	0.409	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	136.7	-179.7	27.4	-35	0	0	0	111	A383 C387	A383-P385 VanDerWaalsContact C-CD 3.48Å; A383-P385 WeakPolarHBondContact O-CD 3.49Å; P385-C387 PolarHBondContact O-N 3.4Å; P385-C387 VanDerWaalsContact O-N 3.12Å
386	N	86.4	Confident	90	Very high	122 Å²	122	55.6 Å²	55.6	65%	0.652	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	24.2	179.5	-57.4	-30.7	0	0	0	114.3	L384 L388 L826	L384-N386 PolarHBondContact O-N 3.46Å; N386-L388 PolarHBondContact O-N 2.96Å; N386-L826 HydrophobicContact CB-CD1 4.43Å
387	C	90.6	Very high	90.1	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.027	25%	0.245	C	C	.	.			trans	-74	124.8	172.6	-179.7	0	0	0	0	110.2	L384 P385 S840 L841	L384-C387 HydrophobicContact CB-CB 3.75Å; L384-C387 WeakPolarHBondContact O-CB 3.34Å; L384-C387 PolarHBondContact O-N 3.35Å; P385-C387 PolarHBondContact O-N 3.4Å; P385-C387 VanDerWaalsContact O-N 3.12Å; C387-S840 WeakPolarHBondContact CA-O 3.25Å; C387-L841 HydrophobicContact CB-CD2 4.26Å
388	L	89.7	Confident	90.1	Very high	77 Å²	77	46.9 Å²	46.9	40%	0.403	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.1	179.4	-61.1	174	0	0	0	110	M379 N386 S840	M379-L388 HydrophobicContact CE-CD2 3.94Å; N386-L388 PolarHBondContact O-N 2.96Å; L388-S840 PolarHBondContact N-O 2.67Å; L388-S840 PolarHBondContact O-N 3.49Å
389	V	90.8	Very high	90	Very high	16 Å²	16	46.9 Å²	46.9	10%	0.097	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.8	171.6	-174.4	0	0	0	0	108.1	I378 M379 F839	I378-V389 HydrophobicContact CB-CG2 3.99Å; I378-V389 HydrophobicContact CD1-CG2 4.44Å; I378-V389 HydrophobicContact CG2-CG2 3.76Å; M379-V389 HydrophobicContact CG-CB 4.4Å; M379-V389 HydrophobicContact CG-CG2 4.01Å; M379-V389 HydrophobicContact SD-CB 4.31Å; V389-F839 HydrophobicContact CB-CD1 4.36Å; V389-F839 HydrophobicContact CB-CE1 4.23Å; V389-F839 HydrophobicContact CG1-CD1 4.15Å; V389-F839 HydrophobicContact CG1-CE1 3.67Å; V389-F839 HydrophobicContact CG1-CZ 4.14Å; V389-F839 HydrophobicContact CG2-CD1 3.8Å; V389-F839 HydrophobicContact CG2-CE1 3.68Å
390	R	85.8	Confident	90	Very high	65 Å²	65	42.8 Å²	42.8	25%	0.245	21%	0.21	C	C	.	.	S	Bend	trans	-94.5	-27.9	-177.6	-65.6	-171.5	175	-86.2	4	113.1	S834 S837 D838 S840	R390-S834 WeakPolarHBondContact CD-O 3.26Å; R390-S834 PolarHBondContact NE-O 3.18Å; R390-S837 WeakPolarHBondContact CB-O 2.99Å; R390-S837 WeakPolarHBondContact CD-O 3.46Å; R390-D838 PolarHBondContact N-O 3.46Å; R390-S840 PolarHBondContact NE-OG 2.94Å
391	N	84.1	Confident	90.2	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.07	18%	0.176	C	C	.	.			trans	-121.6	107	175.9	-178.1	2.2	0	0	0	108.7	N393 D838	N391-N393 PolarHBondContact O-N 3.41Å; N391-N393 WeakPolarHBondContact OD1-CB 3.49Å; N391-N393 PolarHBondContact OD1-N 3.46Å; N391-N393 VanDerWaalsContact OD1-N 3.08Å; N391-N393 PolarHBondContact OD1-ND2 3.22Å; N391-D838 HydrophobicContact CB-CB 3.92Å; N391-D838 VanDerWaalsContact CB-OD1 3.32Å; N391-D838 WeakPolarHBondContact CB-OD1 3.28Å; N391-D838 PolarHBondContact N-O 2.64Å; N391-D838 VanDerWaalsContact N-O 3.16Å; N391-D838 PolarHBondContact ND2-OD1 3.06Å
392	T	86.1	Confident	90.3	Very high	21 Å²	21	33.2 Å²	33.2	13%	0.129	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.2	-177.5	61	0	0	0	0	112.5	R124 K371 I394 P395	R124-T392 PolarHBondContact NE-OG1 3Å; R124-T392 PolarHBondContact NH2-O 2.71Å; R124-T392 PolarHBondContact NH2-OG1 3.39Å; K371-T392 WeakPolarHBondContact CB-O 3.28Å; T392-I394 PolarHBondContact O-N 2.98Å; T392-P395 WeakPolarHBondContact O-CD 3.1Å
393	N	85.5	Confident	90.5	Very high	27 Å²	27	24 Å²	24	14%	0.144	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-17.4	-168.2	-75.5	-47	0	0	0	115.7	R124 K371 N391 P395	R124-N393 PolarHBondContact NE-OD1 3.33Å; R124-N393 PolarHBondContact NH1-OD1 2.98Å; R124-N393 VanDerWaalsContact NH2-CA 3.3Å; R124-N393 PolarHBondContact NH2-OD1 3.49Å; R124-N393 VanDerWaalsContact NH2-OD1 3.1Å; K371-N393 WeakPolarHBondContact CE-O 3.05Å; K371-N393 PolarHBondContact NZ-O 3.41Å; N391-N393 PolarHBondContact O-N 3.41Å; N391-N393 WeakPolarHBondContact OD1-CB 3.49Å; N391-N393 PolarHBondContact OD1-N 3.46Å; N391-N393 VanDerWaalsContact OD1-N 3.08Å; N391-N393 PolarHBondContact OD1-ND2 3.22Å; N393-P395 VanDerWaalsContact C-CD 3.5Å
394	I	90.9	Very high	90.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.			trans	-129.6	28.6	-168	61.8	168	0	0	0	116.5	K308 T392 E396 E397 L821 D838 F839	K308-I394 HydrophobicContact CB-CD1 4.48Å; K308-I394 HydrophobicContact CB-CG2 4.28Å; K308-I394 HydrophobicContact CD-CD1 4.16Å; T392-I394 PolarHBondContact O-N 2.98Å; I394-E396 PolarHBondContact O-N 3.34Å; I394-E397 HydrophobicContact CB-CB 4.01Å; I394-E397 WeakPolarHBondContact O-CB 3.22Å; I394-E397 PolarHBondContact O-N 2.9Å; I394-L821 HydrophobicContact CD1-CD1 3.97Å; I394-D838 HydrophobicContact CD1-CB 3.96Å; I394-F839 HydrophobicContact CG1-CE2 4.33Å
395	P	92.8	Very high	91.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-61.3	-30.7	178.9	25.9	-34.1	0	0	0	113.1	K371 Y374 T392 N393 E397 L398	K371-P395 HydrophobicContact CB-CG 4.07Å; K371-P395 HydrophobicContact CG-CG 3.9Å; Y374-P395 HydrophobicContact CD2-CB 4.49Å; Y374-P395 HydrophobicContact CD2-CG 4.09Å; T392-P395 WeakPolarHBondContact O-CD 3.1Å; N393-P395 VanDerWaalsContact C-CD 3.5Å; P395-E397 PolarHBondContact O-N 3.34Å; P395-L398 VanDerWaalsContact O-CB 3.27Å; P395-L398 WeakPolarHBondContact O-CB 3.31Å; P395-L398 WeakPolarHBondContact O-CD1 3.27Å; P395-L398 VanDerWaalsContact O-CG 3.31Å; P395-L398 WeakPolarHBondContact O-CG 3.48Å; P395-L398 PolarHBondContact O-N 3.07Å
396	E	93.2	Very high	91.5	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.097	C	C	.	.	G	3₁₀ helix	trans	-69.8	-21.2	176.6	-54.8	87.4	168.4	0	0	113	I312 K371 I394 L398 G399 C858 T862	I312-E396 HydrophobicContact CG2-CB 3.99Å; I312-E396 HydrophobicContact CG2-CG 4.27Å; K371-E396 WeakPolarHBondContact CE-OE1 3.28Å; K371-E396 WeakPolarHBondContact CE-OE2 3.24Å; K371-E396 WeakPolarHBondContact CG-OE1 3.22Å; I394-E396 PolarHBondContact O-N 3.34Å; E396-L398 PolarHBondContact O-N 3.35Å; E396-G399 PolarHBondContact O-N 3.37Å; E396-G399 VanDerWaalsContact O-N 3.17Å; E396-C858 HydrophobicContact CG-CB 4.43Å; E396-T862 HydrophobicContact CG-CG2 3.98Å; E396-T862 VanDerWaalsContact CG-OG1 3.3Å; E396-T862 WeakPolarHBondContact CG-OG1 3.45Å; E396-T862 PolarHBondContact OE1-OG1 2.85Å
397	E	93	Very high	91.8	Very high	2 Å²	2	13 Å²	13	1%	0.009	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-67	-27.4	179.5	-159.8	55.5	-127.5	0	0	111.9	G310 K311 I394 P395 G399 R400 I401 R802	G310-E397 WeakPolarHBondContact CA-OE2 3.49Å; K311-E397 PolarHBondContact N-OE2 3.26Å; I394-E397 HydrophobicContact CB-CB 4.01Å; I394-E397 WeakPolarHBondContact O-CB 3.22Å; I394-E397 PolarHBondContact O-N 2.9Å; P395-E397 PolarHBondContact O-N 3.34Å; E397-G399 PolarHBondContact O-N 3.47Å; E397-G399 VanDerWaalsContact O-N 3.09Å; E397-R400 PolarHBondContact O-N 3.32Å; E397-I401 HydrophobicContact CG-CD1 4.36Å; E397-I401 WeakPolarHBondContact O-CD1 3.12Å; E397-R802 WeakPolarHBondContact OE1-CB 3.26Å; E397-R802 WeakPolarHBondContact OE1-CD 3.37Å; E397-R802 WeakPolarHBondContact OE1-CG 3.47Å; E397-R802 IonicContact OE1-CZ 2.81Å; E397-R802 IonicContact OE1-NE 3.87Å; E397-R802 PolarHBondContact OE1-NE 3.17Å; E397-R802 IonicContact OE1-NH2 2.64Å; E397-R802 IonicContact OE2-CZ 3.64Å; E397-R802 IonicContact OE2-NE 2.69Å; E397-R802 PolarHBondContact OE2-NE 3.22Å; E397-R802 IonicContact OE2-NH2 3.31Å; E397-R802 PolarHBondContact OE2-NH2 3.38Å
398	L	94.7	Very high	91.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-54.4	-26.7	172.9	-63.7	174.4	0	0	0	112.5	I378 P395 E396 L821 F839 L850 L851 Y933	I378-L398 HydrophobicContact CD1-CD1 3.95Å; P395-L398 VanDerWaalsContact O-CB 3.27Å; P395-L398 WeakPolarHBondContact O-CB 3.31Å; P395-L398 WeakPolarHBondContact O-CD1 3.27Å; P395-L398 VanDerWaalsContact O-CG 3.31Å; P395-L398 WeakPolarHBondContact O-CG 3.48Å; P395-L398 PolarHBondContact O-N 3.07Å; E396-L398 PolarHBondContact O-N 3.35Å; L398-L821 HydrophobicContact CD2-CD1 3.73Å; L398-L821 HydrophobicContact CD2-CD2 3.58Å; L398-L821 HydrophobicContact CD2-CG 4.28Å; L398-L821 HydrophobicContact CG-CD1 4.48Å; L398-F839 HydrophobicContact CD1-CE1 3.88Å; L398-F839 HydrophobicContact CD1-CE2 4.45Å; L398-F839 HydrophobicContact CD1-CZ 3.81Å; L398-F839 HydrophobicContact CD2-CD2 4.2Å; L398-F839 HydrophobicContact CD2-CE2 3.97Å; L398-F839 HydrophobicContact CD2-CZ 4.16Å; L398-F839 HydrophobicContact CG-CE2 4.25Å; L398-F839 HydrophobicContact CG-CZ 4.05Å; L398-L850 HydrophobicContact CD1-CD1 3.7Å; L398-L850 HydrophobicContact CD1-CG 4.01Å; L398-L850 HydrophobicContact CD2-CD1 4.46Å; L398-L850 HydrophobicContact CD2-CD2 3.94Å; L398-L850 HydrophobicContact CD2-CG 3.94Å; L398-L851 HydrophobicContact CB-CD2 4.14Å; L398-L851 HydrophobicContact CD2-CD2 3.86Å; L398-L851 WeakPolarHBondContact O-CD2 3.21Å; L398-Y933 WeakPolarHBondContact O-CE2 3.49Å; L398-Y933 PolarHBondContact O-OH 3.42Å
399	G	92.6	Very high	91.5	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-88.1	-0.5	178.4	0	0	0	0	0	115.1	E396 E397 G855 L936	E396-G399 PolarHBondContact O-N 3.37Å; E396-G399 VanDerWaalsContact O-N 3.17Å; E397-G399 PolarHBondContact O-N 3.47Å; E397-G399 VanDerWaalsContact O-N 3.09Å; G399-G855 VanDerWaalsContact CA-C 3.49Å; G399-G855 WeakPolarHBondContact CA-O 3.44Å; G399-G855 PolarHBondContact N-O 2.92Å; G399-L936 WeakPolarHBondContact O-CB 3.26Å
400	R	93.7	Very high	91.2	Very high	8 Å²	8	9.5 Å²	9.5	3%	0.03	5%	0.051	C	C	.	.	S	Bend	trans	-125.2	3.3	-169	-58.9	-69.6	-84.6	132.3	1.7	113.8	E315 E397 R802 Y859 Y933 L936 Q937 G939	E315-R400 IonicContact OE1-NH2 3.88Å; E315-R400 PolarHBondContact OE1-NH2 2.71Å; E397-R400 PolarHBondContact O-N 3.32Å; R400-R802 HydrophobicContact CB-CG 4.45Å; R400-R802 WeakPolarHBondContact O-CB 3.17Å; R400-Y859 HydrophobicContact CG-CD2 3.91Å; R400-Y859 HydrophobicContact CG-CE2 4.24Å; R400-Y859 HydrophobicContact CG-CG 4.41Å; R400-Y933 PolarHBondContact N-OH 2.87Å; R400-L936 PolarHBondContact NH1-O 2.77Å; R400-Q937 VanDerWaalsContact NH1-CA 3.31Å; R400-Q937 PolarHBondContact NH1-O 3.29Å; R400-G939 VanDerWaalsContact CZ-CA 3.46Å
401	I	95.3	Very high	91.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	131	179.6	-55.9	-52.7	0	0	0	111.4	E397 Y403 I694 R802 A804 L821 L851 Y933 Q937	E397-I401 HydrophobicContact CG-CD1 4.36Å; E397-I401 WeakPolarHBondContact O-CD1 3.12Å; I401-Y403 VanDerWaalsContact CG2-O 3.24Å; I401-Y403 WeakPolarHBondContact CG2-O 3.39Å; I401-I694 HydrophobicContact CG2-CG2 4.49Å; I401-R802 HydrophobicContact CD1-CB 4.22Å; I401-A804 HydrophobicContact CD1-CB 4.08Å; I401-A804 HydrophobicContact CG1-CB 4.18Å; I401-A804 HydrophobicContact CG2-CB 3.62Å; I401-L821 HydrophobicContact CD1-CB 3.73Å; I401-L821 HydrophobicContact CD1-CD2 3.75Å; I401-L821 HydrophobicContact CD1-CG 4.38Å; I401-L821 HydrophobicContact CG1-CD2 3.74Å; I401-L851 HydrophobicContact CG1-CD2 4.18Å; I401-Y933 WeakPolarHBondContact CB-OH 3.46Å; I401-Y933 PolarHBondContact N-OH 2.79Å; I401-Y933 WeakPolarHBondContact O-CE1 3.49Å; I401-Y933 PolarHBondContact O-OH 3.17Å; I401-Q937 PolarHBondContact O-NE2 2.86Å
402	C	94.3	Very high	91.8	Very high	26 Å²	26	5.8 Å²	5.8	18%	0.176	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-30.5	175.2	-62.5	0	0	0	0	112.6	I694 R695 A801 R802	C402-I694 WeakPolarHBondContact O-CA 3.15Å; C402-R695 PolarHBondContact O-N 3.4Å; C402-A801 HydrophobicContact CB-CB 4.02Å; C402-R802 PolarHBondContact N-O 3.05Å
403	Y	95.4	Very high	92	Very high	10 Å²	10	4.8 Å²	4.8	4%	0.039	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.3	-178.2	-64.6	-92.6	0	0	0	110.3	I401 M405 R695 R773 L795 T799 A801 R802 V803 A804	I401-Y403 VanDerWaalsContact CG2-O 3.24Å; I401-Y403 WeakPolarHBondContact CG2-O 3.39Å; Y403-M405 HydrophobicContact CD1-CE 4.47Å; Y403-R695 CarbonylContact C-O 3.39Å; Y403-R695 VanDerWaalsContact CA-O 3.31Å; Y403-R695 WeakPolarHBondContact CA-O 3.29Å; Y403-R695 HydrophobicContact CD1-CB 3.77Å; Y403-R695 HydrophobicContact CE1-CB 4.04Å; Y403-R773 WeakPolarHBondContact OH-CD 3.46Å; Y403-R773 VanDerWaalsContact OH-CG 3.27Å; Y403-R773 WeakPolarHBondContact OH-CG 3.36Å; Y403-L795 HydrophobicContact CD1-CD2 3.81Å; Y403-L795 HydrophobicContact CD2-CD2 4.33Å; Y403-L795 HydrophobicContact CE1-CD1 4.32Å; Y403-L795 HydrophobicContact CE1-CD2 4.33Å; Y403-L795 HydrophobicContact CG-CD2 3.8Å; Y403-T799 HydrophobicContact CE2-CG2 4.23Å; Y403-A801 HydrophobicContact CD2-CB 3.98Å; Y403-A801 HydrophobicContact CE2-CB 3.71Å; Y403-R802 PolarHBondContact N-O 3.42Å; Y403-V803 HydrophobicContact CD2-CG2 4.44Å; Y403-A804 PolarHBondContact O-N 3.26Å
404	L	96.3	Very high	92.1	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.1	173.4	177.3	66.2	0	0	0	108.9	L689 I694 R695 V696 W697 A804 I806 L823 F844	L404-L689 HydrophobicContact CD2-CD1 3.66Å; L404-I694 HydrophobicContact CB-CG2 3.84Å; L404-R695 PolarHBondContact N-O 3.48Å; L404-V696 HydrophobicContact CB-CG2 4.34Å; L404-V696 HydrophobicContact CD2-CG2 4.37Å; L404-V696 CarbonylContact O-C 3.54Å; L404-V696 VanDerWaalsContact O-CA 3.29Å; L404-V696 WeakPolarHBondContact O-CA 3.47Å; L404-W697 PolarHBondContact O-N 3.36Å; L404-A804 CarbonylContact C-O 3.57Å; L404-A804 WeakPolarHBondContact CA-O 3.12Å; L404-A804 HydrophobicContact CD1-CB 3.79Å; L404-I806 HydrophobicContact CD1-CB 4.38Å; L404-I806 HydrophobicContact CD1-CG2 3.98Å; L404-I806 HydrophobicContact CG-CG2 4.39Å; L404-L823 HydrophobicContact CD1-CD1 4.43Å; L404-F844 HydrophobicContact CD2-CZ 4.28Å
405	M	95.7	Very high	91.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.2	170	-52.2	-63	101.2	0	0	108	Y403 W697 L699 V792 L795 V803 A804 A805 I806 M815	Y403-M405 HydrophobicContact CD1-CE 4.47Å; M405-W697 CarbonylContact C-O 3.52Å; M405-W697 WeakPolarHBondContact CA-O 3.31Å; M405-W697 HydrophobicContact CE-CB 3.56Å; M405-W697 HydrophobicContact CE-CD2 4Å; M405-W697 HydrophobicContact CE-CG 3.55Å; M405-W697 HydrophobicContact SD-CB 3.61Å; M405-W697 HydrophobicContact SD-CD2 4.15Å; M405-W697 HydrophobicContact SD-CE3 4.12Å; M405-W697 HydrophobicContact SD-CG 3.97Å; M405-L699 HydrophobicContact CB-CD1 4.13Å; M405-L699 HydrophobicContact CG-CD1 4.43Å; M405-L699 HydrophobicContact SD-CD1 4.42Å; M405-V792 HydrophobicContact CB-CG2 4.46Å; M405-V792 HydrophobicContact CG-CG2 3.89Å; M405-L795 HydrophobicContact CE-CD2 3.62Å; M405-L795 HydrophobicContact SD-CD2 4.14Å; M405-V803 HydrophobicContact CE-CG1 4.32Å; M405-V803 HydrophobicContact CG-CG1 3.84Å; M405-A804 PolarHBondContact N-O 3.46Å; M405-A805 HydrophobicContact CB-CB 4.33Å; M405-A805 CarbonylContact O-C 3.58Å; M405-A805 VanDerWaalsContact O-CA 3.28Å; M405-A805 WeakPolarHBondContact O-CA 3.38Å; M405-I806 PolarHBondContact O-N 3.26Å; M405-M815 HydrophobicContact CB-SD 3.99Å
406	S	94.8	Very high	91.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.8	179.3	-169.2	0	0	0	0	110.3	W697 M698 L699	S406-W697 PolarHBondContact N-O 3.31Å; S406-M698 CarbonylContact O-C 3.54Å; S406-M698 WeakPolarHBondContact O-CA 3.36Å; S406-L699 PolarHBondContact O-N 3.47Å
407	D	92.3	Very high	91	Very high	3 Å²	3	12 Å²	12	2%	0.016	7%	0.065	C	C	.	.			trans	-69.5	162.2	157.6	-169.4	57.6	0	0	0	110.5	T409 T411 L699 K788 I806 D812	D407-T409 PolarHBondContact OD2-N 2.96Å; D407-T411 WeakPolarHBondContact O-CB 3.4Å; D407-T411 VanDerWaalsContact O-CG2 3.27Å; D407-T411 WeakPolarHBondContact O-CG2 3.39Å; D407-L699 VanDerWaalsContact OD1-O 3.06Å; D407-K788 IonicContact OD1-NZ 2.85Å; D407-K788 PolarHBondContact OD1-NZ 3.39Å; D407-I806 PolarHBondContact N-O 3.45Å; D407-D812 WeakPolarHBondContact CB-OD2 3.31Å
408	K	89.7	Confident	90.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.076	C	C	.	.			trans	-98.8	-60.4	-178.2	173.9	-121.9	126.8	158	0	111.6	G410 T411 L412 T413 D676 M698 D702 I710	K408-G410 PolarHBondContact O-N 3.43Å; K408-T411 PolarHBondContact O-N 3.09Å; K408-L412 PolarHBondContact O-N 3.44Å; K408-T413 HydrophobicContact CG-CG2 4.44Å; K408-T413 PolarHBondContact O-N 3.4Å; K408-T413 VanDerWaalsContact O-N 3.11Å; K408-D676 VanDerWaalsContact CE-OD2 3.23Å; K408-D676 WeakPolarHBondContact CE-OD2 3.42Å; K408-D676 IonicContact NZ-OD2 2.68Å; K408-D676 PolarHBondContact NZ-OD2 3.39Å; K408-M698 HydrophobicContact CB-CG 4.22Å; K408-M698 HydrophobicContact CB-SD 4.01Å; K408-M698 HydrophobicContact CG-SD 4.17Å; K408-D702 WeakPolarHBondContact CD-OD2 3.4Å; K408-D702 VanDerWaalsContact CE-OD2 3.24Å; K408-D702 WeakPolarHBondContact CE-OD2 3.27Å; K408-D702 IonicContact NZ-OD2 2.77Å; K408-D702 PolarHBondContact NZ-OD2 3.33Å; K408-I710 HydrophobicContact CD-CD1 3.38Å; K408-I710 HydrophobicContact CG-CD1 3.87Å; K408-I710 HydrophobicContact CG-CG2 3.91Å
409	T	85.2	Confident	90.8	Very high	7 Å²	7	14.3 Å²	14.3	4%	0.043	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	130.8	-173.9	-66.1	0	0	0	0	109.5	T201 D407 T411	T201-T409 HydrophobicContact CG2-CG2 3.18Å; D407-T409 PolarHBondContact OD2-N 2.96Å; T409-T411 PolarHBondContact O-N 3.17Å
410	G	84.5	Confident	90.8	Very high	17 Å²	17	17.5 Å²	17.5	18%	0.175	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	-7.2	179	0	0	0	0	0	115.8	K408 T413 Q679 D808	K408-G410 PolarHBondContact O-N 3.43Å; G410-T413 CarbonylContact C-O 3.54Å; G410-T413 WeakPolarHBondContact CA-O 3.47Å; G410-T413 PolarHBondContact N-O 3.37Å; G410-Q679 PolarHBondContact O-NE2 3.46Å; G410-D808 WeakPolarHBondContact CA-OD2 3.34Å
411	T	90.5	Very high	90.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-58.9	179.5	-64.9	0	0	0	0	111.9	D407 K408 T409 Q679 I806 G807 D808 L825 F844	D407-T411 WeakPolarHBondContact O-CB 3.4Å; D407-T411 VanDerWaalsContact O-CG2 3.27Å; D407-T411 WeakPolarHBondContact O-CG2 3.39Å; K408-T411 PolarHBondContact O-N 3.09Å; T409-T411 PolarHBondContact O-N 3.17Å; T411-Q679 PolarHBondContact O-NE2 2.98Å; T411-Q679 PolarHBondContact O-OE1 2.97Å; T411-I806 HydrophobicContact CG2-CG1 4.19Å; T411-I806 HydrophobicContact CG2-CG2 4.18Å; T411-G807 WeakPolarHBondContact OG1-CA 3.45Å; T411-D808 PolarHBondContact N-OD2 2.87Å; T411-D808 PolarHBondContact OG1-N 3.36Å; T411-L825 HydrophobicContact CG2-CD1 3.72Å; T411-F844 HydrophobicContact CG2-CD2 4.21Å
412	L	92.4	Very high	90.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-33.9	172.3	-63.6	177.4	0	0	0	110.9	K408 L678 Q679 V682 L686 M698 F844	K408-L412 PolarHBondContact O-N 3.44Å; L412-L678 WeakPolarHBondContact O-CA 3.35Å; L412-Q679 PolarHBondContact O-N 2.93Å; L412-V682 HydrophobicContact CD2-CG1 3.81Å; L412-L686 HydrophobicContact CD2-CD1 4.27Å; L412-M698 HydrophobicContact CD1-CG 4.28Å; L412-M698 HydrophobicContact CD1-SD 3.8Å; L412-F844 HydrophobicContact CD2-CD1 4.37Å; L412-F844 HydrophobicContact CD2-CD2 3.84Å; L412-F844 HydrophobicContact CD2-CE1 4.17Å; L412-F844 HydrophobicContact CD2-CE2 3.61Å; L412-F844 HydrophobicContact CD2-CG 4.23Å; L412-F844 HydrophobicContact CD2-CZ 3.8Å
413	T	90.2	Very high	90.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	159.9	178.2	70.8	0	0	0	0	111.6	K408 G410 D676 K677 L678 I710	K408-T413 HydrophobicContact CG-CG2 4.44Å; K408-T413 PolarHBondContact O-N 3.4Å; K408-T413 VanDerWaalsContact O-N 3.11Å; G410-T413 CarbonylContact C-O 3.54Å; G410-T413 WeakPolarHBondContact CA-O 3.47Å; G410-T413 PolarHBondContact N-O 3.37Å; T413-D676 VanDerWaalsContact CB-OD1 3.24Å; T413-D676 WeakPolarHBondContact CB-OD1 3.17Å; T413-D676 HydrophobicContact CG2-CB 4.34Å; T413-D676 PolarHBondContact OG1-OD1 3.32Å; T413-K677 CarbonylContact C-O 3.44Å; T413-K677 WeakPolarHBondContact CA-O 3.48Å; T413-L678 HydrophobicContact CG2-CD2 4.09Å; T413-I710 HydrophobicContact CG2-CD1 4.35Å; T413-I710 HydrophobicContact CG2-CG2 4.05Å
414	Q	87.6	Confident	90.3	Very high	37 Å²	37	19.2 Å²	19.2	17%	0.173	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-1.2	173.6	-57.5	-170.5	16.9	0	0	112.3	E416 K677 L678 Q679	Q414-E416 VanDerWaalsContact C-N 3.32Å; Q414-E416 HydrophobicContact CB-CB 4.4Å; Q414-K677 HydrophobicContact CG-CG 4.47Å; Q414-K677 PolarHBondContact N-O 3.28Å; Q414-L678 WeakPolarHBondContact CG-O 3.25Å; Q414-L678 PolarHBondContact NE2-O 3.33Å; Q414-Q679 HydrophobicContact CG-CG 4.15Å
415	N	80.1	Confident	89.7	Confident	44 Å²	44	20.1 Å²	20.1	24%	0.235	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.7	46.9	-168.6	-168.3	19.4	0	0	0	111.5	T201	T201-N415 WeakPolarHBondContact CB-OD1 3.25Å; T201-N415 VanDerWaalsContact CG2-CG 3.42Å; T201-N415 WeakPolarHBondContact CG2-ND2 3.3Å; T201-N415 WeakPolarHBondContact CG2-OD1 3.22Å
416	E	84.7	Confident	89	Confident	78 Å²	78	24.2 Å²	24.2	36%	0.364	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	111.4	-179.9	-173.3	-173.8	175.2	0	0	108.1	Q414 V418 K677	Q414-E416 VanDerWaalsContact C-N 3.32Å; Q414-E416 HydrophobicContact CB-CB 4.4Å; E416-V418 HydrophobicContact CG-CG2 4.03Å; E416-K677 HydrophobicContact CB-CB 4.36Å; E416-K677 WeakPolarHBondContact O-CB 3.4Å; E416-K677 PolarHBondContact O-N 2.86Å; E416-K677 IonicContact OE1-NZ 3.22Å; E416-K677 VanDerWaalsContact OE2-CD 3.32Å; E416-K677 WeakPolarHBondContact OE2-CD 3.33Å; E416-K677 IonicContact OE2-NZ 2.88Å; E416-K677 PolarHBondContact OE2-NZ 3.48Å
417	M	88.3	Confident	88.5	Confident	21 Å²	21	27 Å²	27	10%	0.103	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.6	176.9	-60.2	-52.6	-79.5	0	0	109.3	P523 D524 A527 V674 E675 D676	M417-P523 HydrophobicContact CB-CB 4.42Å; M417-P523 HydrophobicContact CG-CB 3.72Å; M417-P523 HydrophobicContact CG-CG 3.96Å; M417-D524 WeakPolarHBondContact CE-OD1 3.36Å; M417-A527 HydrophobicContact CB-CB 3.79Å; M417-A527 WeakPolarHBondContact O-CB 3.36Å; M417-V674 HydrophobicContact CB-CG1 4.17Å; M417-V674 HydrophobicContact CE-CG1 3.92Å; M417-E675 WeakPolarHBondContact CA-O 3.49Å; M417-D676 HydrophobicContact CE-CB 4.07Å; M417-D676 VanDerWaalsContact SD-CA 3.6Å; M417-D676 HydrophobicContact SD-CB 3.49Å; M417-D676 WeakPolarHBondContact SD-CB 3.46Å
418	V	91.2	Very high	88.3	Confident	39 Å²	39	29.7 Å²	29.7	24%	0.236	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.7	-176	-178.9	0	0	0	0	109.3	E416 K420 E675 K677	E416-V418 HydrophobicContact CG-CG2 4.03Å; V418-K420 HydrophobicContact CG1-CD 4.38Å; V418-K420 PolarHBondContact O-N 2.94Å; V418-E675 PolarHBondContact N-O 2.95Å; V418-E675 PolarHBondContact O-N 2.87Å; V418-K677 HydrophobicContact CG2-CB 4.49Å; V418-K677 HydrophobicContact CG2-CD 4.49Å
419	F	92.7	Very high	88.3	Confident	10 Å²	10	30.5 Å²	30.5	4%	0.044	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122.5	169	-171.2	-84.2	0	0	0	109.9	K421 L422 M434 I477 L528 W531 T672 V674	F419-K421 WeakPolarHBondContact CE1-O 3.5Å; F419-K421 VanDerWaalsContact CZ-O 3.29Å; F419-K421 WeakPolarHBondContact CZ-O 3.21Å; F419-L422 HydrophobicContact CE1-CB 3.91Å; F419-L422 HydrophobicContact CZ-CB 3.78Å; F419-L422 HydrophobicContact CZ-CD1 4.07Å; F419-M434 HydrophobicContact CD1-CE 4.35Å; F419-M434 HydrophobicContact CE1-CE 4.32Å; F419-I477 HydrophobicContact CE2-CD1 4.47Å; F419-L528 HydrophobicContact CD2-CD2 3.51Å; F419-L528 HydrophobicContact CE2-CD2 3.61Å; F419-W531 HydrophobicContact CB-CB 3.58Å; F419-W531 HydrophobicContact CB-CD2 4.39Å; F419-W531 HydrophobicContact CB-CG 3.67Å; F419-W531 HydrophobicContact CD1-CB 4.38Å; F419-W531 AromaticContact CD1-CD1 3.48Å; F419-W531 VanDerWaalsContact CD1-CD1 3.48Å; F419-W531 AromaticContact CD1-CD2 3.55Å; F419-W531 HydrophobicContact CD1-CD2 3.55Å; F419-W531 AromaticContact CD1-CE2 3.51Å; F419-W531 HydrophobicContact CD1-CE3 4.31Å; F419-W531 AromaticContact CD1-CG 3.53Å; F419-W531 HydrophobicContact CD1-CG 3.53Å; F419-W531 HydrophobicContact CD1-CZ2 4.21Å; F419-W531 AromaticContact CD1-NE1 3.46Å; F419-W531 HydrophobicContact CD2-CD2 4.2Å; F419-W531 HydrophobicContact CD2-CE3 4.28Å; F419-W531 HydrophobicContact CD2-CG 4.32Å; F419-W531 AromaticContact CE1-CD2 3.75Å; F419-W531 HydrophobicContact CE1-CD2 3.75Å; F419-W531 AromaticContact CE1-CE2 3.43Å; F419-W531 VanDerWaalsContact CE1-CE2 3.43Å; F419-W531 HydrophobicContact CE1-CE3 4.24Å; F419-W531 HydrophobicContact CE1-CG 4.24Å; F419-W531 HydrophobicContact CE1-CH2 4.15Å; F419-W531 AromaticContact CE1-CZ2 3.65Å; F419-W531 HydrophobicContact CE1-CZ2 3.65Å; F419-W531 HydrophobicContact CE1-CZ3 4.42Å; F419-W531 AromaticContact CE1-NE1 3.77Å; F419-W531 HydrophobicContact CE2-CD2 4.33Å; F419-W531 HydrophobicContact CE2-CE3 4.15Å; F419-W531 HydrophobicContact CE2-CZ3 4.4Å; F419-W531 HydrophobicContact CG-CB 3.95Å; F419-W531 AromaticContact CG-CD1 3.93Å; F419-W531 AromaticContact CG-CD2 3.79Å; F419-W531 HydrophobicContact CG-CD2 3.79Å; F419-W531 HydrophobicContact CG-CE3 4.33Å; F419-W531 AromaticContact CG-CG 3.58Å; F419-W531 HydrophobicContact CG-CG 3.58Å; F419-W531 HydrophobicContact CZ-CD2 4.13Å; F419-W531 HydrophobicContact CZ-CE3 4.15Å; F419-W531 HydrophobicContact CZ-CH2 4.09Å; F419-W531 HydrophobicContact CZ-CZ2 4.07Å; F419-W531 HydrophobicContact CZ-CZ3 4.14Å; F419-T672 HydrophobicContact CE2-CG2 3.62Å; F419-T672 HydrophobicContact CZ-CG2 4.06Å; F419-V674 HydrophobicContact CD2-CG2 4.42Å
420	K	91.5	Very high	88.3	Confident	67 Å²	67	31.3 Å²	31.3	29%	0.291	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-42.6	-175.3	-79.8	-60.5	-167.4	-177.7	0	114.2	V418 S431 L619 G673 E675	V418-K420 HydrophobicContact CG1-CD 4.38Å; V418-K420 PolarHBondContact O-N 2.94Å; K420-S431 WeakPolarHBondContact CD-OG 3.33Å; K420-S431 PolarHBondContact O-N 3.37Å; K420-S431 PolarHBondContact O-OG 3.33Å; K420-L619 HydrophobicContact CB-CD2 4.03Å; K420-L619 HydrophobicContact CG-CD2 4.23Å; K420-G673 PolarHBondContact N-O 3.33Å; K420-E675 WeakPolarHBondContact CE-OE2 3.43Å; K420-E675 HydrophobicContact CG-CB 3.65Å
421	K	92.8	Very high	88.1	Confident	52 Å²	52	33.4 Å²	33.4	23%	0.226	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	139	-172.6	-69	-171.9	171.4	-175.9	0	111.8	F419 F429 A430 L614 E617 L619 G673	F419-K421 WeakPolarHBondContact CE1-O 3.5Å; F419-K421 VanDerWaalsContact CZ-O 3.29Å; F419-K421 WeakPolarHBondContact CZ-O 3.21Å; K421-F429 CarbonylContact C-O 3.58Å; K421-F429 VanDerWaalsContact CA-O 3.25Å; K421-F429 WeakPolarHBondContact CA-O 3.3Å; K421-A430 HydrophobicContact CG-CB 4.3Å; K421-L614 HydrophobicContact CB-CD2 4.16Å; K421-L614 HydrophobicContact CD-CD2 3.52Å; K421-L614 HydrophobicContact CG-CD2 4.44Å; K421-E617 WeakPolarHBondContact CE-OE2 3.32Å; K421-E617 IonicContact NZ-OE1 2.98Å; K421-E617 PolarHBondContact NZ-OE1 3.26Å; K421-E617 IonicContact NZ-OE2 2.71Å; K421-E617 PolarHBondContact NZ-OE2 2.8Å; K421-L619 HydrophobicContact CB-CD1 4.43Å; K421-L619 HydrophobicContact CD-CD1 3.8Å; K421-L619 HydrophobicContact CG-CD1 4.12Å; K421-G673 PolarHBondContact N-O 3.42Å; K421-G673 PolarHBondContact O-N 3.43Å
422	L	93.3	Very high	87.7	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.7	169.6	179	70.2	0	0	0	108.5	F419 L424 A428 F429 I477 W531 C670 T672	F419-L422 HydrophobicContact CE1-CB 3.91Å; F419-L422 HydrophobicContact CZ-CB 3.78Å; F419-L422 HydrophobicContact CZ-CD1 4.07Å; L422-L424 HydrophobicContact CD1-CD2 4.34Å; L422-L424 HydrophobicContact CD2-CD2 4.17Å; L422-L424 HydrophobicContact CG-CD2 4.09Å; L422-A428 CarbonylContact O-C 3.48Å; L422-F429 HydrophobicContact CB-CB 4.36Å; L422-F429 HydrophobicContact CD2-CD2 4.23Å; L422-F429 PolarHBondContact N-O 3.31Å; L422-F429 PolarHBondContact O-N 2.93Å; L422-I477 HydrophobicContact CD1-CD1 3.87Å; L422-W531 HydrophobicContact CD1-CH2 4.48Å; L422-W531 HydrophobicContact CD2-CH2 3.92Å; L422-W531 HydrophobicContact CD2-CZ2 4.29Å; L422-C670 HydrophobicContact CD1-CB 3.76Å; L422-T672 HydrophobicContact CD1-CG2 4.2Å
423	H	92.6	Very high	87.3	Confident	14 Å²	14	41.1 Å²	41.1	7%	0.065	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.7	179.1	-165	-80.1	0	0	0	110.5	G425 A428 W606 E610 C670 L671	H423-G425 WeakPolarHBondContact CE1-CA 3.48Å; H423-G425 PolarHBondContact CE1-N 3.34Å; H423-G425 PolarHBondContact CE1-O 2.95Å; H423-G425 WeakPolarHBondContact ND1-CA 3.22Å; H423-G425 PolarHBondContact ND1-N 3.06Å; H423-A428 VanDerWaalsContact CD2-CB 3.42Å; H423-A428 WeakPolarHBondContact CD2-CB 3.39Å; H423-W606 AromaticContact CE1-CE3 3.59Å; H423-W606 AromaticContact CE1-CZ3 3.91Å; H423-W606 AromaticContact ND1-CE3 3.37Å; H423-W606 AromaticContact ND1-CH2 3.87Å; H423-W606 AromaticContact ND1-CZ3 3.19Å; H423-W606 WeakPolarHBondContact ND1-CZ3 3.42Å; H423-E610 IonicContact NE2-OE2 2.76Å; H423-C670 CarbonylContact O-C 3.57Å; H423-C670 VanDerWaalsContact O-CA 3.22Å; H423-C670 WeakPolarHBondContact O-CA 3.39Å; H423-C670 WeakPolarHBondContact O-CB 3.4Å; H423-L671 HydrophobicContact CB-CB 4.13Å; H423-L671 PolarHBondContact N-O 2.79Å; H423-L671 PolarHBondContact O-N 2.91Å
424	L	89.8	Confident	86.8	Confident	14 Å²	14	42.1 Å²	42.1	7%	0.073	25%	0.246	C	C	.	.			trans	-105.4	14.7	179.8	-56.2	-174.2	0	0	0	112.9	L422 S426 V427 F429 M470 A473 C670	L422-L424 HydrophobicContact CD1-CD2 4.34Å; L422-L424 HydrophobicContact CD2-CD2 4.17Å; L422-L424 HydrophobicContact CG-CD2 4.09Å; L424-S426 VanDerWaalsContact C-N 3.26Å; L424-S426 PolarHBondContact O-N 3.39Å; L424-S426 VanDerWaalsContact O-N 3.12Å; L424-V427 PolarHBondContact N-O 3.47Å; L424-F429 HydrophobicContact CD1-CD2 4.48Å; L424-F429 HydrophobicContact CD1-CE2 3.69Å; L424-F429 HydrophobicContact CG-CD2 4.49Å; L424-F429 HydrophobicContact CG-CE2 4.09Å; L424-M470 HydrophobicContact CD1-CB 3.66Å; L424-M470 HydrophobicContact CD1-CG 4.03Å; L424-A473 HydrophobicContact CD2-CB 3.58Å; L424-C670 HydrophobicContact CD2-CB 3.58Å
425	G	84.1	Confident	86.6	Confident	19 Å²	19	48 Å²	48	20%	0.196	27%	0.274	C	S	.	.	S	Bend	trans	88.1	-46.7	-179.7	0	0	0	0	0	114.7	H423	H423-G425 WeakPolarHBondContact CE1-CA 3.48Å; H423-G425 PolarHBondContact CE1-N 3.34Å; H423-G425 PolarHBondContact CE1-O 2.95Å; H423-G425 WeakPolarHBondContact ND1-CA 3.22Å; H423-G425 PolarHBondContact ND1-N 3.06Å
426	S	80.1	Confident	86.8	Confident	86 Å²	86	51.6 Å²	51.6	60%	0.601	29%	0.289	S	S	*	.	S	Bend	trans	-90.5	-29.6	176.1	50.4	0	0	0	0	113.3	L424	L424-S426 VanDerWaalsContact C-N 3.26Å; L424-S426 PolarHBondContact O-N 3.39Å; L424-S426 VanDerWaalsContact O-N 3.12Å
427	V	85.9	Confident	86.7	Confident	59 Å²	59	47.9 Å²	47.9	36%	0.358	27%	0.272	S	S	.	.			trans	-138.7	138.9	-175.2	-176.7	0	0	0	0	109	L424 F429	L424-V427 PolarHBondContact N-O 3.47Å; V427-F429 HydrophobicContact CB-CE2 4.27Å; V427-F429 HydrophobicContact CB-CZ 4.2Å; V427-F429 HydrophobicContact CG1-CD1 4.26Å; V427-F429 HydrophobicContact CG1-CD2 4.43Å; V427-F429 HydrophobicContact CG1-CE1 3.81Å; V427-F429 HydrophobicContact CG1-CE2 4Å; V427-F429 HydrophobicContact CG1-CZ 3.67Å
428	A	86.8	Confident	86.5	Confident	59 Å²	59	48.9 Å²	48.9	49%	0.488	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.1	172.4	0	0	0	0	0	108.7	L422 H423	L422-A428 CarbonylContact O-C 3.48Å; H423-A428 VanDerWaalsContact CD2-CB 3.42Å; H423-A428 WeakPolarHBondContact CD2-CB 3.39Å
429	F	89.1	Confident	86.1	Confident	17 Å²	17	51.7 Å²	51.7	8%	0.075	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.3	172.7	-56.9	-79.6	0	0	0	109.4	K421 L422 L424 V427 S433 E436 V437 M470	K421-F429 CarbonylContact C-O 3.58Å; K421-F429 VanDerWaalsContact CA-O 3.25Å; K421-F429 WeakPolarHBondContact CA-O 3.3Å; L422-F429 HydrophobicContact CB-CB 4.36Å; L422-F429 HydrophobicContact CD2-CD2 4.23Å; L422-F429 PolarHBondContact N-O 3.31Å; L422-F429 PolarHBondContact O-N 2.93Å; L424-F429 HydrophobicContact CD1-CD2 4.48Å; L424-F429 HydrophobicContact CD1-CE2 3.69Å; L424-F429 HydrophobicContact CG-CD2 4.49Å; L424-F429 HydrophobicContact CG-CE2 4.09Å; V427-F429 HydrophobicContact CB-CE2 4.27Å; V427-F429 HydrophobicContact CB-CZ 4.2Å; V427-F429 HydrophobicContact CG1-CD1 4.26Å; V427-F429 HydrophobicContact CG1-CD2 4.43Å; V427-F429 HydrophobicContact CG1-CE1 3.81Å; V427-F429 HydrophobicContact CG1-CE2 4Å; V427-F429 HydrophobicContact CG1-CZ 3.67Å; F429-S433 VanDerWaalsContact CA-OG 3.22Å; F429-S433 WeakPolarHBondContact CA-OG 3.43Å; F429-E436 HydrophobicContact CD1-CB 4.5Å; F429-E436 HydrophobicContact CE1-CB 4.23Å; F429-V437 HydrophobicContact CB-CG2 3.86Å; F429-V437 HydrophobicContact CD1-CG2 3.7Å; F429-V437 HydrophobicContact CD2-CG2 4.05Å; F429-V437 HydrophobicContact CE1-CG2 4.25Å; F429-V437 HydrophobicContact CG-CG2 3.59Å; F429-M470 HydrophobicContact CE1-SD 4.49Å; F429-M470 HydrophobicContact CE2-SD 3.97Å; F429-M470 HydrophobicContact CZ-SD 3.85Å
430	A	86.9	Confident	85.6	Confident	24 Å²	24	51.4 Å²	51.4	20%	0.198	29%	0.287	C	S	.	.			trans	-98	-178.5	170.7	0	0	0	0	0	110.3	K421 D432 S433 M434	K421-A430 HydrophobicContact CG-CB 4.3Å; A430-D432 WeakPolarHBondContact CB-OD1 3.38Å; A430-D432 PolarHBondContact O-N 3Å; A430-S433 PolarHBondContact N-OG 3.22Å; A430-S433 PolarHBondContact O-N 2.94Å; A430-S433 PolarHBondContact O-OG 2.87Å; A430-M434 PolarHBondContact O-N 2.69Å
431	S	79.9	Confident	85.2	Confident	62 Å²	62	48.2 Å²	48.2	43%	0.434	27%	0.273	S	S	.	.	S	Bend	trans	-63.9	-25.7	-176	-51.6	0	0	0	0	113.7	K420	K420-S431 WeakPolarHBondContact CD-OG 3.33Å; K420-S431 PolarHBondContact O-N 3.37Å; K420-S431 PolarHBondContact O-OG 3.33Å
432	D	82	Confident	84.7	Confident	139 Å²	139	51.8 Å²	51.8	74%	0.743	29%	0.285	S	S	*	.	S	Bend	trans	-80.1	-34.3	176.8	53.5	-22.5	0	0	0	113	A430 M434	A430-D432 WeakPolarHBondContact CB-OD1 3.38Å; A430-D432 PolarHBondContact O-N 3Å; D432-M434 VanDerWaalsContact C-N 3.29Å; D432-M434 PolarHBondContact O-N 3.41Å
433	S	83.7	Confident	84.1	Confident	22 Å²	22	54.7 Å²	54.7	15%	0.154	30%	0.301	C	S	.	.	S	Bend	trans	-89.4	14.2	176.4	69.2	0	0	0	0	113.4	F429 A430 E435 E436	F429-S433 VanDerWaalsContact CA-OG 3.22Å; F429-S433 WeakPolarHBondContact CA-OG 3.43Å; A430-S433 PolarHBondContact N-OG 3.22Å; A430-S433 PolarHBondContact O-N 2.94Å; A430-S433 PolarHBondContact O-OG 2.87Å; S433-E435 VanDerWaalsContact C-N 3.31Å; S433-E435 PolarHBondContact O-N 3.41Å; S433-E436 WeakPolarHBondContact O-CB 3.47Å; S433-E436 PolarHBondContact O-N 3.3Å
434	M	79.8	Confident	83.5	Confident	22 Å²	22	55.9 Å²	55.9	11%	0.108	31%	0.307	C	S	.	.	H	α-helix	trans	-71.7	-25.7	-174.2	-163	64.1	68.3	0	0	112.8	F419 A430 D432 E436 V437 I438 W531 V535	F419-M434 HydrophobicContact CD1-CE 4.35Å; F419-M434 HydrophobicContact CE1-CE 4.32Å; A430-M434 PolarHBondContact O-N 2.69Å; D432-M434 VanDerWaalsContact C-N 3.29Å; D432-M434 PolarHBondContact O-N 3.41Å; M434-E436 PolarHBondContact O-N 2.96Å; M434-V437 WeakPolarHBondContact O-CB 3.39Å; M434-V437 PolarHBondContact O-N 3.38Å; M434-V437 HydrophobicContact SD-CB 4.19Å; M434-V437 HydrophobicContact SD-CG2 3.9Å; M434-I438 PolarHBondContact O-N 2.94Å; M434-W531 HydrophobicContact CE-CZ2 4.19Å; M434-W531 HydrophobicContact SD-CZ2 3.67Å; M434-W531 PolarHBondContact SD-NE1 3.46Å; M434-V535 HydrophobicContact CG-CG2 4.45Å; M434-V535 HydrophobicContact SD-CG2 4.18Å
435	E	82.8	Confident	82.9	Confident	161 Å²	161	57.3 Å²	57.3	75%	0.752	31%	0.313	S	S	*	.	H	α-helix	trans	-61.5	-30.6	174.5	-69.4	177.5	-176	0	0	112	S433 V437 I438 Q439	S433-E435 VanDerWaalsContact C-N 3.31Å; S433-E435 PolarHBondContact O-N 3.41Å; E435-V437 VanDerWaalsContact C-N 3.3Å; E435-V437 PolarHBondContact O-N 3.22Å; E435-I438 PolarHBondContact O-N 2.95Å; E435-Q439 WeakPolarHBondContact O-CB 3.41Å; E435-Q439 PolarHBondContact O-N 2.9Å
436	E	83.5	Confident	82.1	Confident	119 Å²	119	60.1 Å²	60.1	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-65.1	-36.6	173.9	-59	-178.8	-177.3	0	0	111.6	F429 S433 M434 Q439 G440	F429-E436 HydrophobicContact CD1-CB 4.5Å; F429-E436 HydrophobicContact CE1-CB 4.23Å; S433-E436 WeakPolarHBondContact O-CB 3.47Å; S433-E436 PolarHBondContact O-N 3.3Å; M434-E436 PolarHBondContact O-N 2.96Å; E436-Q439 PolarHBondContact O-N 3.24Å; E436-G440 PolarHBondContact O-N 3.43Å
437	V	82.6	Confident	80.9	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-47.7	176.2	-171.7	0	0	0	0	109.8	F429 M434 E435 Q439 G440 L441 M470 V474 V535	F429-V437 HydrophobicContact CB-CG2 3.86Å; F429-V437 HydrophobicContact CD1-CG2 3.7Å; F429-V437 HydrophobicContact CD2-CG2 4.05Å; F429-V437 HydrophobicContact CE1-CG2 4.25Å; F429-V437 HydrophobicContact CG-CG2 3.59Å; M434-V437 WeakPolarHBondContact O-CB 3.39Å; M434-V437 PolarHBondContact O-N 3.38Å; M434-V437 HydrophobicContact SD-CB 4.19Å; M434-V437 HydrophobicContact SD-CG2 3.9Å; E435-V437 VanDerWaalsContact C-N 3.3Å; E435-V437 PolarHBondContact O-N 3.22Å; V437-Q439 VanDerWaalsContact C-N 3.32Å; V437-Q439 PolarHBondContact O-N 2.93Å; V437-G440 PolarHBondContact O-N 3.24Å; V437-L441 HydrophobicContact CG1-CD1 4.45Å; V437-L441 HydrophobicContact CG1-CG 4.4Å; V437-L441 WeakPolarHBondContact O-CB 3.33Å; V437-L441 VanDerWaalsContact O-CG 3.29Å; V437-L441 WeakPolarHBondContact O-CG 3.46Å; V437-L441 PolarHBondContact O-N 3.48Å; V437-M470 HydrophobicContact CB-SD 3.98Å; V437-M470 HydrophobicContact CG1-CE 4.31Å; V437-M470 HydrophobicContact CG1-CG 3.96Å; V437-M470 HydrophobicContact CG1-SD 3.7Å; V437-M470 HydrophobicContact CG2-SD 4.04Å; V437-M470 WeakPolarHBondContact O-CE 3.4Å; V437-V474 HydrophobicContact CG1-CG2 4.16Å; V437-V535 HydrophobicContact CB-CG1 4.01Å; V437-V535 HydrophobicContact CG1-CG1 3.52Å
438	I	84.5	Confident	79	Confident	42 Å²	42	62.8 Å²	62.8	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-58	-47.1	177	-62.1	173.5	0	0	0	110.4	M434 E435 L441 R442 V535	M434-I438 PolarHBondContact O-N 2.94Å; E435-I438 PolarHBondContact O-N 2.95Å; I438-L441 PolarHBondContact O-N 2.83Å; I438-R442 WeakPolarHBondContact O-CB 3.44Å; I438-R442 WeakPolarHBondContact O-CG 3.39Å; I438-R442 PolarHBondContact O-N 3.39Å; I438-V535 HydrophobicContact CG1-CB 4.35Å; I438-V535 HydrophobicContact CG1-CG1 3.74Å
439	Q	83.4	Confident	77.2	Confident	98 Å²	98	65.3 Å²	65.3	46%	0.458	36%	0.355	S	S	.	.	H	α-helix	trans	-66.6	-42.3	-179.1	-171.4	59.4	43.4	0	0	112	E435 E436 V437 R442 N443	E435-Q439 WeakPolarHBondContact O-CB 3.41Å; E435-Q439 PolarHBondContact O-N 2.9Å; E436-Q439 PolarHBondContact O-N 3.24Å; V437-Q439 VanDerWaalsContact C-N 3.32Å; V437-Q439 PolarHBondContact O-N 2.93Å; Q439-R442 PolarHBondContact O-N 2.95Å; Q439-N443 PolarHBondContact NE2-OD1 3.24Å; Q439-N443 WeakPolarHBondContact O-CB 3.26Å; Q439-N443 PolarHBondContact O-N 3.06Å; Q439-N443 PolarHBondContact O-ND2 3.32Å; Q439-N443 PolarHBondContact O-OD1 3.15Å
440	G	81.2	Confident	74.6	Confident	3 Å²	3	70.8 Å²	70.8	3%	0.031	39%	0.39	C	S	.	.	H	α-helix	trans	-70	-33.2	178.5	0	0	0	0	0	113	E436 V437 N444 M470	E436-G440 PolarHBondContact O-N 3.43Å; V437-G440 PolarHBondContact O-N 3.24Å; G440-N444 WeakPolarHBondContact O-CB 3.5Å; G440-N444 PolarHBondContact O-N 2.85Å; G440-M470 VanDerWaalsContact CA-CE 3.42Å
441	L	83.6	Confident	72.3	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-66.9	-46.3	170.6	-69.7	-171.9	0	0	0	111.6	V437 I438 N443 N444 F445 M470 A471 V474 V535 V537 P552	V437-L441 HydrophobicContact CG1-CD1 4.45Å; V437-L441 HydrophobicContact CG1-CG 4.4Å; V437-L441 WeakPolarHBondContact O-CB 3.33Å; V437-L441 VanDerWaalsContact O-CG 3.29Å; V437-L441 WeakPolarHBondContact O-CG 3.46Å; V437-L441 PolarHBondContact O-N 3.48Å; I438-L441 PolarHBondContact O-N 2.83Å; L441-N443 VanDerWaalsContact C-N 3.31Å; L441-N443 PolarHBondContact O-N 3.08Å; L441-N444 PolarHBondContact O-N 3.36Å; L441-F445 HydrophobicContact CB-CD2 4.29Å; L441-F445 HydrophobicContact CB-CE2 4.38Å; L441-F445 HydrophobicContact CD2-CE2 4.11Å; L441-F445 WeakPolarHBondContact O-CD2 3.37Å; L441-F445 PolarHBondContact O-N 2.93Å; L441-M470 HydrophobicContact CG-CE 4.47Å; L441-A471 VanDerWaalsContact CD2-CA 3.45Å; L441-A471 HydrophobicContact CD2-CB 3.84Å; L441-V474 HydrophobicContact CD1-CB 4.16Å; L441-V474 HydrophobicContact CD1-CG1 3.81Å; L441-V474 HydrophobicContact CD1-CG2 4Å; L441-V474 HydrophobicContact CD2-CB 4.3Å; L441-V474 HydrophobicContact CD2-CG2 4.17Å; L441-V535 HydrophobicContact CD1-CB 4.25Å; L441-V535 HydrophobicContact CD1-CG1 3.44Å; L441-V535 VanDerWaalsContact CD1-CG1 3.44Å; L441-V535 HydrophobicContact CG-CG1 4.35Å; L441-V537 HydrophobicContact CD1-CG2 4.3Å; L441-P552 HydrophobicContact CB-CG 4.27Å
442	R	82.4	Confident	70	Confident	127 Å²	127	77 Å²	77	48%	0.479	43%	0.434	S	S	.	.	H	α-helix	trans	-56.2	-48	174.1	-78.9	180	177.4	166.1	0.8	110.4	I438 Q439 N444 F445 T446 P552	I438-R442 WeakPolarHBondContact O-CB 3.44Å; I438-R442 WeakPolarHBondContact O-CG 3.39Å; I438-R442 PolarHBondContact O-N 3.39Å; Q439-R442 PolarHBondContact O-N 2.95Å; R442-N444 VanDerWaalsContact C-N 3.32Å; R442-N444 PolarHBondContact O-N 3.4Å; R442-F445 PolarHBondContact O-N 3.48Å; R442-T446 WeakPolarHBondContact O-CB 3.48Å; R442-T446 VanDerWaalsContact O-CG2 3.23Å; R442-T446 WeakPolarHBondContact O-CG2 3.36Å; R442-T446 PolarHBondContact O-N 3.26Å; R442-T446 PolarHBondContact O-OG1 3.46Å; R442-P552 HydrophobicContact CG-CB 4.12Å
443	N	81.1	Confident	67.7	Low	62 Å²	62	75.8 Å²	75.8	33%	0.332	43%	0.432	S	S	.	.	H	α-helix	trans	-59.9	-41.5	178.6	-69.7	-8.5	0	0	0	111.8	Q439 L441 V447	Q439-N443 PolarHBondContact NE2-OD1 3.24Å; Q439-N443 WeakPolarHBondContact O-CB 3.26Å; Q439-N443 PolarHBondContact O-N 3.06Å; Q439-N443 PolarHBondContact O-ND2 3.32Å; Q439-N443 PolarHBondContact O-OD1 3.15Å; L441-N443 VanDerWaalsContact C-N 3.31Å; L441-N443 PolarHBondContact O-N 3.08Å; N443-V447 WeakPolarHBondContact O-CA 3.31Å; N443-V447 WeakPolarHBondContact O-CB 3.48Å; N443-V447 WeakPolarHBondContact O-CG2 3.48Å; N443-V447 PolarHBondContact O-N 2.93Å
444	N	79.3	Confident	65.7	Low	38 Å²	38	82.1 Å²	82.1	20%	0.203	46%	0.463	C	S	.	.	H	α-helix	trans	-67.2	-48.5	179.2	-165	-35.4	0	0	0	112.4	G440 L441 R442 N467 E468 A471	G440-N444 WeakPolarHBondContact O-CB 3.5Å; G440-N444 PolarHBondContact O-N 2.85Å; L441-N444 PolarHBondContact O-N 3.36Å; R442-N444 VanDerWaalsContact C-N 3.32Å; R442-N444 PolarHBondContact O-N 3.4Å; N444-N467 PolarHBondContact ND2-O 3.16Å; N444-N467 VanDerWaalsContact ND2-O 3.09Å; N444-E468 VanDerWaalsContact ND2-CA 3.31Å; N444-E468 WeakPolarHBondContact ND2-CA 3.31Å; N444-E468 PolarHBondContact ND2-N 3.41Å; N444-A471 HydrophobicContact CB-CB 4.46Å; N444-A471 WeakPolarHBondContact ND2-CB 3.44Å
445	F	77.3	Confident	63.7	Low	45 Å²	45	85.2 Å²	85.2	20%	0.197	49%	0.487	C	S	.	.	H	α-helix	trans	-80.3	-19.1	-177.1	-67.1	-64.8	0	0	0	114.6	L441 R442 A471 L551 P552 N553	L441-F445 HydrophobicContact CB-CD2 4.29Å; L441-F445 HydrophobicContact CB-CE2 4.38Å; L441-F445 HydrophobicContact CD2-CE2 4.11Å; L441-F445 WeakPolarHBondContact O-CD2 3.37Å; L441-F445 PolarHBondContact O-N 2.93Å; R442-F445 PolarHBondContact O-N 3.48Å; F445-A471 HydrophobicContact CE2-CB 4.39Å; F445-A471 HydrophobicContact CZ-CB 4.25Å; F445-L551 HydrophobicContact CD1-CD1 3.8Å; F445-L551 HydrophobicContact CD1-CD2 4.24Å; F445-L551 HydrophobicContact CE1-CD1 3.84Å; F445-L551 HydrophobicContact CE1-CD2 3.74Å; F445-L551 HydrophobicContact CE1-CG 4.41Å; F445-L551 HydrophobicContact CE2-CD2 4.03Å; F445-L551 HydrophobicContact CZ-CD2 3.63Å; F445-P552 HydrophobicContact CD2-CG 3.99Å; F445-P552 HydrophobicContact CE2-CG 4.47Å; F445-N553 PolarHBondContact O-ND2 3.5Å; F445-N553 VanDerWaalsContact O-ND2 3.16Å
446	T	67.7	Low	61.4	Low	77 Å²	77	83.3 Å²	83.3	47%	0.472	48%	0.482	S	S	.	.	H	α-helix	trans	-94.8	-37.4	174.8	62.2	0	0	0	0	112.4	R442 S448 N553	R442-T446 WeakPolarHBondContact O-CB 3.48Å; R442-T446 VanDerWaalsContact O-CG2 3.23Å; R442-T446 WeakPolarHBondContact O-CG2 3.36Å; R442-T446 PolarHBondContact O-N 3.26Å; R442-T446 PolarHBondContact O-OG1 3.46Å; T446-S448 VanDerWaalsContact C-N 3.32Å; T446-S448 PolarHBondContact O-N 3.46Å; T446-N553 HydrophobicContact CG2-CB 4.45Å
447	V	56	Low	59.2	Low	104 Å²	104	84.6 Å²	84.6	63%	0.63	49%	0.488	S	S	*	.	S	Bend	trans	-94.8	65.5	177.4	-166.2	0	0	0	0	109.5	N443	N443-V447 WeakPolarHBondContact O-CA 3.31Å; N443-V447 WeakPolarHBondContact O-CB 3.48Å; N443-V447 WeakPolarHBondContact O-CG2 3.48Å; N443-V447 PolarHBondContact O-N 2.93Å
448	S	46	Very low	57.2	Low	98 Å²	98	91.9 Å²	91.9	69%	0.685	53%	0.527	S	S	*	.			trans	-151.1	70.5	155.1	-83.5	0	0	0	0	109.4	T446	T446-S448 VanDerWaalsContact C-N 3.32Å; T446-S448 PolarHBondContact O-N 3.46Å
449	P	47.8	Very low	54.9	Low	111 Å²	111	95.2 Å²	95.2	72%	0.721	55%	0.549	S	S	*	.			trans	-137.5	89.5	132	34.5	-19.3	0	0	0	110.2
450	T	35.9	Very low	52.9	Low	132 Å²	132	94.9 Å²	94.9	81%	0.81	56%	0.557	S	S	*	*			trans	-120.6	108.9	154.9	38.1	0	0	0	0	108.2	G452	T450-G452 VanDerWaalsContact C-N 3.26Å; T450-G452 PolarHBondContact O-N 2.98Å
451	T	37.6	Very low	50.9	Low	159 Å²	159	103.6 Å²	103.6	98%	0.975	60%	0.597	S	S	*	*			trans	-36.6	83.8	160.9	8.1	0	0	0	0	111.4
452	G	31.3	Very low	49.1	Very low	58 Å²	58	109.8 Å²	109.8	60%	0.598	64%	0.635	S	S	*	*			trans	-105.7	114.7	169.4	0	0	0	0	0	108.6	T450	T450-G452 VanDerWaalsContact C-N 3.26Å; T450-G452 PolarHBondContact O-N 2.98Å
453	T	33.6	Very low	47.2	Very low	114 Å²	114	114.8 Å²	114.8	70%	0.699	65%	0.653	S	S	*	*			trans	-43.4	142.4	173.2	22.2	0	0	0	0	113	S455 D456	T453-S455 PolarHBondContact O-N 3.03Å; T453-D456 PolarHBondContact O-N 2.9Å
454	L	41.7	Very low	46.3	Very low	154 Å²	154	116.9 Å²	116.9	81%	0.806	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.4	-4.3	-174.7	-75.4	156.9	0	0	0	117
455	S	37.5	Very low	46.1	Very low	87 Å²	87	118.2 Å²	118.2	61%	0.608	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-18.9	-178.6	69.3	0	0	0	0	115.2	T453	T453-S455 PolarHBondContact O-N 3.03Å
456	D	36.1	Very low	46.1	Very low	121 Å²	121	120.3 Å²	120.3	65%	0.647	68%	0.683	S	S	*	*	G	3₁₀ helix	trans	-91.9	-0.5	-177.2	-89.9	-4	0	0	0	114.4	T453 L458	T453-D456 PolarHBondContact O-N 2.9Å; D456-L458 VanDerWaalsContact C-N 3.33Å; D456-L458 PolarHBondContact O-N 3.26Å
457	Q	37.1	Very low	46.8	Very low	146 Å²	146	119.4 Å²	119.4	68%	0.682	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-79.9	-10.2	178	-72	-173.6	-13	0	0	114.3
458	L	39.7	Very low	48.1	Very low	154 Å²	154	118 Å²	118	81%	0.806	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-89	-13.3	-177.7	-75.2	166.5	0	0	0	114.1	D456	D456-L458 VanDerWaalsContact C-N 3.33Å; D456-L458 PolarHBondContact O-N 3.26Å
459	T	37.7	Very low	50	Low	112 Å²	112	119 Å²	119	69%	0.687	65%	0.651	S	S	*	*	S	Bend	trans	-111.6	-1.5	-173.3	47.1	0	0	0	0	115.3
460	S	39.9	Very low	51.9	Low	90 Å²	90	113.9 Å²	113.9	63%	0.629	62%	0.617	S	S	*	*			trans	-94.3	13.8	179.3	67	0	0	0	0	115.6	V462	S460-V462 PolarHBondContact O-N 3.26Å
461	Q	41	Very low	54.4	Low	186 Å²	186	107.9 Å²	107.9	87%	0.869	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	0.7	176.5	-81.5	-158.2	-15.8	0	0	115.4
462	V	44.2	Very low	57	Low	130 Å²	130	103.2 Å²	103.2	79%	0.788	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-5.4	-166	-176.3	0	0	0	0	115.5	S460	S460-V462 PolarHBondContact O-N 3.26Å
463	R	44	Very low	59.8	Low	232 Å²	232	100.4 Å²	100.4	88%	0.875	52%	0.521	S	S	*	.			trans	-161.6	95.4	167.5	-119.8	172.3	178.8	179.6	-1.2	111.6	T465	R463-T465 PolarHBondContact O-N 3.14Å
464	R	62.3	Low	62.6	Low	107 Å²	107	95 Å²	95	40%	0.404	49%	0.488	S	S	.	.			trans	-54.3	133.1	165.8	-67.8	-170.6	-168.4	152.8	10.1	108.8	E468 R469 E667	R464-E468 WeakPolarHBondContact CA-OE2 3.36Å; R464-R469 HydrophobicContact CB-CG 4Å; R464-E667 IonicContact CZ-OE1 2.83Å; R464-E667 IonicContact CZ-OE2 3.7Å; R464-E667 IonicContact NH1-OE1 2.68Å; R464-E667 PolarHBondContact NH1-OE1 2.95Å; R464-E667 IonicContact NH1-OE2 3.51Å; R464-E667 IonicContact NH2-OE1 3.89Å; R464-E667 PolarHBondContact NH2-OE1 3.42Å; R464-E667 IonicContact NH2-OE2 3.57Å; R464-E667 PolarHBondContact NH2-OE2 3.1Å
465	T	74.8	Confident	65.1	Low	66 Å²	66	88.8 Å²	88.8	41%	0.405	46%	0.455	S	S	.	.			trans	-66.3	155.9	176.4	63.2	0	0	0	0	110.1	R463 N467 E468 R469	R463-T465 PolarHBondContact O-N 3.14Å; T465-N467 PolarHBondContact O-N 3.28Å; T465-E468 WeakPolarHBondContact CG2-OE1 3.38Å; T465-E468 PolarHBondContact N-OE2 3.38Å; T465-E468 VanDerWaalsContact N-OE2 3.14Å; T465-E468 PolarHBondContact O-N 3.34Å; T465-E468 VanDerWaalsContact OG1-CG 3.25Å; T465-E468 WeakPolarHBondContact OG1-CG 3.36Å; T465-E468 PolarHBondContact OG1-N 2.7Å; T465-E468 PolarHBondContact OG1-OE1 3.05Å; T465-R469 PolarHBondContact O-N 3.48Å
466	T	76.5	Confident	67.7	Low	89 Å²	89	84.6 Å²	84.6	55%	0.546	43%	0.426	S	S	.	.	H	α-helix	trans	-58.1	-35.7	175.2	45.3	0	0	0	0	111.5	M470	T466-M470 WeakPolarHBondContact O-CB 3.4Å; T466-M470 PolarHBondContact O-N 3.29Å
467	N	81.9	Confident	70.4	Confident	57 Å²	57	79 Å²	79	31%	0.305	40%	0.396	S	S	.	.	H	α-helix	trans	-68.4	-35.9	176.7	-66.1	-24.7	0	0	0	113.3	N444 T465 A471	N444-N467 PolarHBondContact ND2-O 3.16Å; N444-N467 VanDerWaalsContact ND2-O 3.09Å; T465-N467 PolarHBondContact O-N 3.28Å; N467-A471 WeakPolarHBondContact O-CB 3.06Å; N467-A471 PolarHBondContact O-N 2.88Å
468	E	84.2	Confident	73.1	Confident	75 Å²	75	72.1 Å²	72.1	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-64.6	-50.3	173.4	-78.7	155.6	-140	0	0	111.6	N444 R464 T465 M470 A471 D472	N444-E468 VanDerWaalsContact ND2-CA 3.31Å; N444-E468 WeakPolarHBondContact ND2-CA 3.31Å; N444-E468 PolarHBondContact ND2-N 3.41Å; R464-E468 WeakPolarHBondContact CA-OE2 3.36Å; T465-E468 WeakPolarHBondContact CG2-OE1 3.38Å; T465-E468 PolarHBondContact N-OE2 3.38Å; T465-E468 VanDerWaalsContact N-OE2 3.14Å; T465-E468 PolarHBondContact O-N 3.34Å; T465-E468 VanDerWaalsContact OG1-CG 3.25Å; T465-E468 WeakPolarHBondContact OG1-CG 3.36Å; T465-E468 PolarHBondContact OG1-N 2.7Å; T465-E468 PolarHBondContact OG1-OE1 3.05Å; E468-M470 PolarHBondContact O-N 2.73Å; E468-A471 PolarHBondContact O-N 3.1Å; E468-A471 VanDerWaalsContact O-N 3.12Å; E468-D472 PolarHBondContact O-N 3.33Å
469	R	85.9	Confident	75.7	Confident	120 Å²	120	64.8 Å²	64.8	45%	0.453	33%	0.326	S	S	.	.	H	α-helix	trans	-59	-37.3	177.3	-68.2	-174.6	177.3	-167.7	-3	112.1	R464 T465 A473	R464-R469 HydrophobicContact CB-CG 4Å; T465-R469 PolarHBondContact O-N 3.48Å; R469-A473 VanDerWaalsContact O-CB 3.32Å; R469-A473 WeakPolarHBondContact O-CB 3.49Å; R469-A473 PolarHBondContact O-N 2.85Å
470	M	88.1	Confident	78.3	Confident	3 Å²	3	59.5 Å²	59.5	2%	0.015	29%	0.294	C	S	.	.	H	α-helix	trans	-67.6	-43.1	176.6	-171.8	170	72.9	0	0	112.4	L424 F429 V437 G440 L441 T466 E468 A473 V474	L424-M470 HydrophobicContact CD1-CB 3.66Å; L424-M470 HydrophobicContact CD1-CG 4.03Å; F429-M470 HydrophobicContact CE1-SD 4.49Å; F429-M470 HydrophobicContact CE2-SD 3.97Å; F429-M470 HydrophobicContact CZ-SD 3.85Å; V437-M470 HydrophobicContact CB-SD 3.98Å; V437-M470 HydrophobicContact CG1-CE 4.31Å; V437-M470 HydrophobicContact CG1-CG 3.96Å; V437-M470 HydrophobicContact CG1-SD 3.7Å; V437-M470 HydrophobicContact CG2-SD 4.04Å; V437-M470 WeakPolarHBondContact O-CE 3.4Å; G440-M470 VanDerWaalsContact CA-CE 3.42Å; L441-M470 HydrophobicContact CG-CE 4.47Å; T466-M470 WeakPolarHBondContact O-CB 3.4Å; T466-M470 PolarHBondContact O-N 3.29Å; E468-M470 PolarHBondContact O-N 2.73Å; M470-A473 PolarHBondContact O-N 3.32Å; M470-V474 VanDerWaalsContact O-CG2 3.25Å; M470-V474 WeakPolarHBondContact O-CG2 3.22Å; M470-V474 PolarHBondContact O-N 3.49Å
471	A	88.2	Confident	80.7	Confident	6 Å²	6	55.2 Å²	55.2	5%	0.05	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-45.1	175.5	0	0	0	0	0	112	L441 N444 F445 N467 E468 A473 V474 L475	L441-A471 VanDerWaalsContact CD2-CA 3.45Å; L441-A471 HydrophobicContact CD2-CB 3.84Å; N444-A471 HydrophobicContact CB-CB 4.46Å; N444-A471 WeakPolarHBondContact ND2-CB 3.44Å; F445-A471 HydrophobicContact CE2-CB 4.39Å; F445-A471 HydrophobicContact CZ-CB 4.25Å; N467-A471 WeakPolarHBondContact O-CB 3.06Å; N467-A471 PolarHBondContact O-N 2.88Å; E468-A471 PolarHBondContact O-N 3.1Å; E468-A471 VanDerWaalsContact O-N 3.12Å; A471-A473 VanDerWaalsContact C-N 3.35Å; A471-A473 PolarHBondContact O-N 2.94Å; A471-V474 PolarHBondContact O-N 2.95Å; A471-L475 WeakPolarHBondContact O-CB 3.32Å; A471-L475 PolarHBondContact O-N 3.03Å
472	D	90.7	Very high	82.9	Confident	60 Å²	60	48.7 Å²	48.7	32%	0.321	23%	0.234	S	C	.	.	H	α-helix	trans	-60.7	-43.3	176.3	-70.6	-19.5	0	0	0	111.7	E468 A476	E468-D472 PolarHBondContact O-N 3.33Å; D472-A476 VanDerWaalsContact O-CB 3.26Å; D472-A476 WeakPolarHBondContact O-CB 3.13Å; D472-A476 PolarHBondContact O-N 3.03Å
473	A	92.1	Very high	84.9	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-47.7	177.7	0	0	0	0	0	112.5	L424 R469 M470 A471 L475 A476 I477 C670	L424-A473 HydrophobicContact CD2-CB 3.58Å; R469-A473 VanDerWaalsContact O-CB 3.32Å; R469-A473 WeakPolarHBondContact O-CB 3.49Å; R469-A473 PolarHBondContact O-N 2.85Å; M470-A473 PolarHBondContact O-N 3.32Å; A471-A473 VanDerWaalsContact C-N 3.35Å; A471-A473 PolarHBondContact O-N 2.94Å; A473-L475 VanDerWaalsContact C-N 3.34Å; A473-L475 PolarHBondContact O-N 3.27Å; A473-A476 PolarHBondContact O-N 2.86Å; A473-I477 VanDerWaalsContact O-CG1 3.3Å; A473-I477 WeakPolarHBondContact O-CG1 3.15Å; A473-I477 PolarHBondContact O-N 3.24Å; A473-C670 HydrophobicContact CB-CB 3.79Å
474	V	92.3	Very high	86.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.8	-42.7	178.8	174.5	0	0	0	0	110.6	V437 L441 M470 A471 I477 A478 W531 T532 V537	V437-V474 HydrophobicContact CG1-CG2 4.16Å; L441-V474 HydrophobicContact CD1-CB 4.16Å; L441-V474 HydrophobicContact CD1-CG1 3.81Å; L441-V474 HydrophobicContact CD1-CG2 4Å; L441-V474 HydrophobicContact CD2-CB 4.3Å; L441-V474 HydrophobicContact CD2-CG2 4.17Å; M470-V474 VanDerWaalsContact O-CG2 3.25Å; M470-V474 WeakPolarHBondContact O-CG2 3.22Å; M470-V474 PolarHBondContact O-N 3.49Å; A471-V474 PolarHBondContact O-N 2.95Å; V474-I477 PolarHBondContact O-N 2.93Å; V474-A478 WeakPolarHBondContact O-CB 3.43Å; V474-A478 PolarHBondContact O-N 3.19Å; V474-W531 HydrophobicContact CG2-CH2 3.83Å; V474-W531 HydrophobicContact CG2-CZ3 4.34Å; V474-T532 HydrophobicContact CG1-CG2 4.27Å; V474-V537 HydrophobicContact CG1-CB 4.26Å; V474-V537 HydrophobicContact CG1-CG2 3.87Å
475	L	92.4	Very high	87.9	Confident	23 Å²	23	30.3 Å²	30.3	12%	0.12	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-42	177.9	-174.4	65.2	0	0	0	111.6	A471 A473 I477 A478 I479 L549 Y559	A471-L475 WeakPolarHBondContact O-CB 3.32Å; A471-L475 PolarHBondContact O-N 3.03Å; A473-L475 VanDerWaalsContact C-N 3.34Å; A473-L475 PolarHBondContact O-N 3.27Å; L475-I477 VanDerWaalsContact C-N 3.32Å; L475-I477 PolarHBondContact O-N 3.34Å; L475-A478 PolarHBondContact O-N 3.07Å; L475-I479 HydrophobicContact CD1-CD1 3.88Å; L475-I479 HydrophobicContact CD1-CG1 4.33Å; L475-I479 HydrophobicContact CD2-CD1 4.42Å; L475-I479 HydrophobicContact CG-CD1 3.71Å; L475-I479 HydrophobicContact CG-CG1 4.47Å; L475-I479 WeakPolarHBondContact O-CB 3.49Å; L475-I479 VanDerWaalsContact O-CG1 3.23Å; L475-I479 WeakPolarHBondContact O-CG1 3.46Å; L475-I479 PolarHBondContact O-N 3.32Å; L475-L549 HydrophobicContact CD1-CD1 3.84Å; L475-Y559 HydrophobicContact CD1-CE2 4.36Å; L475-Y559 WeakPolarHBondContact CD2-OH 3.16Å
476	A	93.5	Very high	87.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.4	-40.8	175.1	0	0	0	0	0	112.3	D472 A473 I479 C480 Y589 V624 L669	D472-A476 VanDerWaalsContact O-CB 3.26Å; D472-A476 WeakPolarHBondContact O-CB 3.13Å; D472-A476 PolarHBondContact O-N 3.03Å; A473-A476 PolarHBondContact O-N 2.86Å; A476-I479 PolarHBondContact O-N 3.27Å; A476-C480 WeakPolarHBondContact O-CB 3.47Å; A476-C480 PolarHBondContact O-N 2.89Å; A476-Y589 HydrophobicContact CB-CD1 3.5Å; A476-Y589 VanDerWaalsContact CB-CD1 3.5Å; A476-Y589 HydrophobicContact CB-CE1 3.47Å; A476-Y589 VanDerWaalsContact CB-CE1 3.47Å; A476-Y589 HydrophobicContact CB-CG 4.4Å; A476-V624 HydrophobicContact CB-CG1 3.78Å; A476-L669 HydrophobicContact CB-CD1 3.45Å; A476-L669 VanDerWaalsContact CB-CD1 3.45Å
477	I	93.3	Very high	87.4	Confident	4 Å²	4	27.5 Å²	27.5	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-65	-43	174.5	-65.9	164.7	0	0	0	110.8	F419 L422 A473 V474 L475 I479 L528 W531 T532 V624 T672	F419-I477 HydrophobicContact CE2-CD1 4.47Å; L422-I477 HydrophobicContact CD1-CD1 3.87Å; A473-I477 VanDerWaalsContact O-CG1 3.3Å; A473-I477 WeakPolarHBondContact O-CG1 3.15Å; A473-I477 PolarHBondContact O-N 3.24Å; V474-I477 PolarHBondContact O-N 2.93Å; L475-I477 VanDerWaalsContact C-N 3.32Å; L475-I477 PolarHBondContact O-N 3.34Å; I477-I479 PolarHBondContact O-N 2.9Å; I477-L528 HydrophobicContact CG2-CB 3.8Å; I477-L528 HydrophobicContact CG2-CD2 3.74Å; I477-L528 HydrophobicContact CG2-CG 4.29Å; I477-W531 HydrophobicContact CD1-CH2 4.33Å; I477-W531 HydrophobicContact CD1-CZ3 3.71Å; I477-W531 HydrophobicContact CG2-CE3 4.37Å; I477-W531 HydrophobicContact CG2-CZ3 4.33Å; I477-T532 HydrophobicContact CB-CG2 4.06Å; I477-T532 HydrophobicContact CG2-CG2 3.64Å; I477-V624 HydrophobicContact CG1-CG2 4.11Å; I477-T672 HydrophobicContact CD1-CG2 3.7Å; I477-T672 HydrophobicContact CG1-CG2 4.29Å
478	A	92.7	Very high	86.1	Confident	1 Å²	1	31.7 Å²	31.7	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-69.1	-19.2	179.9	0	0	0	0	0	113.6	V474 L475 H481 T532 V537 L549	V474-A478 WeakPolarHBondContact O-CB 3.43Å; V474-A478 PolarHBondContact O-N 3.19Å; L475-A478 PolarHBondContact O-N 3.07Å; A478-H481 PolarHBondContact O-CD2 3.1Å; A478-H481 PolarHBondContact O-NE2 3.1Å; A478-T532 HydrophobicContact CB-CG2 3.94Å; A478-V537 HydrophobicContact CB-CG1 3.64Å; A478-L549 HydrophobicContact CB-CD1 3.93Å; A478-L549 HydrophobicContact CB-CD2 4.48Å
479	I	93.4	Very high	84.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-100.2	-43.7	179.3	-66.3	170.2	0	0	0	111.7	L475 A476 I477 H481 M547 L549 Y559 I576 V578 Y589	L475-I479 HydrophobicContact CD1-CD1 3.88Å; L475-I479 HydrophobicContact CD1-CG1 4.33Å; L475-I479 HydrophobicContact CD2-CD1 4.42Å; L475-I479 HydrophobicContact CG-CD1 3.71Å; L475-I479 HydrophobicContact CG-CG1 4.47Å; L475-I479 WeakPolarHBondContact O-CB 3.49Å; L475-I479 VanDerWaalsContact O-CG1 3.23Å; L475-I479 WeakPolarHBondContact O-CG1 3.46Å; L475-I479 PolarHBondContact O-N 3.32Å; A476-I479 PolarHBondContact O-N 3.27Å; I477-I479 PolarHBondContact O-N 2.9Å; I479-H481 VanDerWaalsContact C-N 3.34Å; I479-H481 PolarHBondContact O-N 2.98Å; I479-M547 HydrophobicContact CB-SD 4.41Å; I479-M547 HydrophobicContact CG1-SD 4.31Å; I479-M547 HydrophobicContact CG2-SD 4.4Å; I479-L549 HydrophobicContact CG1-CD1 3.79Å; I479-Y559 HydrophobicContact CD1-CD1 4.21Å; I479-Y559 HydrophobicContact CD1-CD2 4.13Å; I479-Y559 HydrophobicContact CD1-CE1 3.8Å; I479-Y559 HydrophobicContact CD1-CE2 3.71Å; I479-Y559 HydrophobicContact CD1-CG 4.37Å; I479-Y559 HydrophobicContact CG1-CD2 4.32Å; I479-Y559 HydrophobicContact CG1-CE2 4.17Å; I479-I576 HydrophobicContact CG2-CD1 4.47Å; I479-I576 HydrophobicContact CG2-CG2 4.15Å; I479-V578 HydrophobicContact CG2-CB 4.36Å; I479-V578 HydrophobicContact CG2-CG1 3.6Å; I479-V578 HydrophobicContact CG2-CG2 3.95Å; I479-Y589 HydrophobicContact CB-CD2 4.39Å; I479-Y589 HydrophobicContact CB-CE2 4.44Å; I479-Y589 HydrophobicContact CD1-CE2 3.89Å; I479-Y589 HydrophobicContact CG2-CD2 3.94Å; I479-Y589 HydrophobicContact CG2-CE2 4.19Å
480	C	93	Very high	82.4	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.007	19%	0.185	C	C	.	.	S	Bend	trans	-80.3	76.9	-174.2	-164.1	0	0	0	0	111.4	A476 I576 K591	A476-C480 WeakPolarHBondContact O-CB 3.47Å; A476-C480 PolarHBondContact O-N 2.89Å; C480-I576 HydrophobicContact CB-CG2 4.04Å; C480-K591 HydrophobicContact CB-CD 4.47Å; C480-K591 WeakPolarHBondContact O-CD 3.3Å; C480-K591 WeakPolarHBondContact O-CE 3.37Å; C480-K591 PolarHBondContact O-NZ 3.2Å
481	H	91	Very high	80	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.			trans	-154	173.2	175.9	65.4	87.1	0	0	0	111.7	A478 I479 V483 E525 V529 L539 R542 M574	A478-H481 PolarHBondContact O-CD2 3.1Å; A478-H481 PolarHBondContact O-NE2 3.1Å; I479-H481 VanDerWaalsContact C-N 3.34Å; I479-H481 PolarHBondContact O-N 2.98Å; H481-V483 HydrophobicContact CB-CG2 4.12Å; H481-V483 PolarHBondContact CE1-O 3.31Å; H481-V483 WeakPolarHBondContact ND1-CA 3.4Å; H481-V483 VanDerWaalsContact ND1-CB 3.27Å; H481-V483 WeakPolarHBondContact ND1-CB 3.37Å; H481-V483 PolarHBondContact ND1-N 3.48Å; H481-V483 PolarHBondContact ND1-O 3Å; H481-E525 HydrophobicContact CB-CB 4.38Å; H481-V529 HydrophobicContact CB-CG2 3.91Å; H481-V529 VanDerWaalsContact CD2-CG2 3.49Å; H481-V529 WeakPolarHBondContact CD2-CG2 3.31Å; H481-L539 WeakPolarHBondContact CE1-CD2 3.37Å; H481-R542 PolarHBondContact CE1-NH1 3.42Å; H481-R542 PolarHBondContact ND1-NH1 2.82Å; H481-R542 PolarHBondContact O-NH1 3.47Å; H481-R542 PolarHBondContact O-NH2 3.31Å; H481-M574 WeakPolarHBondContact O-CE 3.21Å
482	N	85.6	Confident	77.1	Confident	48 Å²	48	44.8 Å²	44.8	26%	0.257	24%	0.239	S	C	.	.			trans	-114.3	14.8	168	-159.7	32.3	0	0	0	113.9	E525 R542 L564 M574	N482-E525 WeakPolarHBondContact CA-OE2 3.11Å; N482-E525 WeakPolarHBondContact CB-OE2 3.47Å; N482-E525 PolarHBondContact N-OE2 3.36Å; N482-R542 PolarHBondContact OD1-NH2 2.9Å; N482-L564 WeakPolarHBondContact OD1-CD2 3.19Å; N482-M574 HydrophobicContact CB-CE 4.14Å
483	V	87.3	Confident	74.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.259	C	S	.	.			trans	-66.9	133.4	178.2	-177.9	0	0	0	0	113.8	H481 Y518 Q519 A520 E525 V526 V529 L539 R542	H481-V483 HydrophobicContact CB-CG2 4.12Å; H481-V483 PolarHBondContact CE1-O 3.31Å; H481-V483 WeakPolarHBondContact ND1-CA 3.4Å; H481-V483 VanDerWaalsContact ND1-CB 3.27Å; H481-V483 WeakPolarHBondContact ND1-CB 3.37Å; H481-V483 PolarHBondContact ND1-N 3.48Å; H481-V483 PolarHBondContact ND1-O 3Å; V483-Y518 HydrophobicContact CG1-CD1 3.69Å; V483-Y518 HydrophobicContact CG1-CG 3.9Å; V483-Q519 CarbonylContact C-O 3.55Å; V483-Q519 WeakPolarHBondContact CA-O 3.47Å; V483-A520 HydrophobicContact CB-CB 4.19Å; V483-A520 HydrophobicContact CG2-CB 3.61Å; V483-E525 HydrophobicContact CG2-CB 3.61Å; V483-E525 WeakPolarHBondContact CG2-O 3.42Å; V483-V526 HydrophobicContact CG2-CG2 4.46Å; V483-V529 HydrophobicContact CB-CG2 4.12Å; V483-V529 HydrophobicContact CG1-CB 4.48Å; V483-V529 HydrophobicContact CG1-CG1 4.39Å; V483-V529 HydrophobicContact CG2-CB 4.23Å; V483-V529 HydrophobicContact CG2-CG2 3.76Å; V483-L539 HydrophobicContact CG1-CD2 4.44Å; V483-R542 WeakPolarHBondContact O-CD 3.38Å
484	T	83.7	Confident	71.6	Confident	66 Å²	66	51 Å²	51	41%	0.405	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.8	169.7	-54.5	0	0	0	0	110.6	Q519	T484-Q519 PolarHBondContact N-O 3.06Å; T484-Q519 PolarHBondContact O-N 3.49Å
485	P	84.9	Confident	68.7	Low	17 Å²	17	55.7 Å²	55.7	11%	0.11	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	145.5	176.2	29.5	-32.1	0	0	0	112.2	P515 Y518 L539 V540	P485-P515 HydrophobicContact CB-CB 3.94Å; P485-Y518 HydrophobicContact CB-CD1 4.29Å; P485-Y518 HydrophobicContact CB-CE1 4.15Å; P485-L539 HydrophobicContact CG-CD2 4.44Å; P485-L539 HydrophobicContact CG-CG 4.49Å; P485-V540 WeakPolarHBondContact CG-O 3.36Å
486	M	74.6	Confident	65.9	Low	50 Å²	50	58.5 Å²	58.5	25%	0.246	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.5	174.1	-56.7	-171.5	-144.8	0	0	111.7	W203 I516 G517 Q519	W203-M486 HydrophobicContact CH2-CE 4.49Å; M486-I516 PolarHBondContact O-N 2.61Å; M486-G517 PolarHBondContact N-O 3.39Å; M486-Q519 HydrophobicContact CE-CG 3.17Å; M486-Q519 VanDerWaalsContact CE-NE2 3.27Å; M486-Q519 HydrophobicContact CG-CG 3.6Å; M486-Q519 VanDerWaalsContact CG-NE2 3.25Å; M486-Q519 HydrophobicContact SD-CG 3.94Å; M486-Q519 PolarHBondContact SD-NE2 3.35Å
487	T	66.9	Low	62.8	Low	47 Å²	47	66.1 Å²	66.1	29%	0.288	40%	0.396	S	S	.	.			trans	-122.5	147.7	175.3	-43.7	0	0	0	0	111.2	T489 V510	T487-T489 PolarHBondContact O-N 3.36Å; T487-T489 VanDerWaalsContact O-N 3.15Å; T487-V510 HydrophobicContact CG2-CB 4.29Å; T487-V510 HydrophobicContact CG2-CG1 3.61Å; T487-V510 HydrophobicContact CG2-CG2 3.67Å
488	E	55.4	Low	59.7	Low	144 Å²	144	71.5 Å²	71.5	67%	0.673	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-58.6	-26.4	-171.2	-135.9	164.8	-133.5	0	0	114.8	Y490 S491 I516	E488-Y490 PolarHBondContact O-N 3.11Å; E488-S491 PolarHBondContact O-N 3.27Å; E488-S491 PolarHBondContact O-OG 3.23Å; E488-I516 HydrophobicContact CB-CD1 3.68Å; E488-I516 HydrophobicContact CG-CD1 3.53Å
489	T	45.8	Very low	56.8	Low	116 Å²	116	77.8 Å²	77.8	71%	0.712	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-64.8	-9.8	-171.8	20.8	0	0	0	0	116	T487	T487-T489 PolarHBondContact O-N 3.36Å; T487-T489 VanDerWaalsContact O-N 3.15Å
490	Y	46.4	Very low	54	Low	167 Å²	167	81.1 Å²	81.1	66%	0.655	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-92.6	-3.4	177.2	-68.4	-79.1	0	0	0	114.7	E488	E488-Y490 PolarHBondContact O-N 3.11Å
491	S	37.1	Very low	51.1	Low	82 Å²	82	89.8 Å²	89.8	57%	0.573	54%	0.542	S	S	*	.	S	Bend	trans	-98	-13.3	-165.9	61.1	0	0	0	0	116.6	E488	E488-S491 PolarHBondContact O-N 3.27Å; E488-S491 PolarHBondContact O-OG 3.23Å
492	N	28	Very low	48.4	Very low	115 Å²	115	95.8 Å²	95.8	62%	0.615	57%	0.574	S	S	*	*			trans	-135.4	97.4	177.5	-86.7	-22.4	0	0	0	111.6	G494	N492-G494 PolarHBondContact O-N 3Å
493	P	33.6	Very low	46.6	Very low	115 Å²	115	99.9 Å²	99.9	75%	0.747	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-7.8	168.3	-13.5	27.9	0	0	0	113.2
494	G	32.4	Very low	44.2	Very low	76 Å²	76	108.6 Å²	108.6	78%	0.784	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-2.5	-170.6	0	0	0	0	0	116.9	N492	N492-G494 PolarHBondContact O-N 3Å
495	S	32.9	Very low	42.2	Very low	98 Å²	98	112 Å²	112	69%	0.685	65%	0.645	S	S	*	*	S	Bend	trans	-136.9	23.9	-175.7	67.6	0	0	0	0	115.2
496	A	32.6	Very low	40.4	Very low	82 Å²	82	113.8 Å²	113.8	68%	0.678	66%	0.661	S	S	*	*			trans	-130.8	44.5	172.4	0	0	0	0	0	112	V498	A496-V498 PolarHBondContact O-N 2.96Å
497	D	28.3	Very low	38.9	Very low	160 Å²	160	116 Å²	116	86%	0.856	67%	0.672	S	S	*	*			trans	-74.6	67.5	156.7	-81.9	-26.4	0	0	0	109.1
498	V	28.9	Very low	38	Very low	117 Å²	117	116.2 Å²	116.2	71%	0.709	68%	0.678	S	S	*	*			trans	-142.6	95.9	158.8	-173	0	0	0	0	108.3	A496 G500	A496-V498 PolarHBondContact O-N 2.96Å; V498-G500 PolarHBondContact O-N 2.69Å
499	P	30.4	Very low	37.7	Very low	132 Å²	132	116.8 Å²	116.8	86%	0.857	68%	0.683	S	S	*	*			trans	-74.4	114.2	169.9	27	-23.1	0	0	0	108.3
500	G	35.8	Very low	38	Very low	71 Å²	71	113.4 Å²	113.4	73%	0.732	66%	0.662	S	S	*	*			trans	135.2	27	163.9	0	0	0	0	0	119.3	V498	V498-G500 PolarHBondContact O-N 2.69Å
501	K	31	Very low	38.3	Very low	183 Å²	183	107.5 Å²	107.5	80%	0.796	64%	0.641	S	S	*	*	S	Bend	trans	-101.8	127.1	159.7	-85	-171.6	174.8	-175	0	110.6	N503	K501-N503 PolarHBondContact O-N 3.31Å
502	D	35	Very low	39.3	Very low	125 Å²	125	110.8 Å²	110.8	67%	0.668	65%	0.651	S	S	*	*			trans	-52.6	122.7	-170.1	-68.2	-46.2	0	0	0	113.1	K504 E505	D502-K504 PolarHBondContact O-N 2.84Å; D502-E505 PolarHBondContact O-N 3.44Å; D502-E505 VanDerWaalsContact O-N 3.13Å
503	N	46.9	Very low	41.2	Very low	135 Å²	135	108.1 Å²	108.1	72%	0.722	64%	0.641	S	S	*	*	H	α-helix	trans	-51.8	-17.9	-177.9	-94	-17.8	0	0	0	115.2	K501 M507	K501-N503 PolarHBondContact O-N 3.31Å; N503-M507 WeakPolarHBondContact O-CB 3.15Å; N503-M507 WeakPolarHBondContact O-CG 3.44Å; N503-M507 PolarHBondContact O-N 3.35Å; N503-M507 VanDerWaalsContact O-N 3.11Å
504	K	38.3	Very low	43.1	Very low	182 Å²	182	108 Å²	108	79%	0.791	63%	0.634	S	S	*	*	H	α-helix	trans	-74.6	-38.2	179.6	-73.6	-175.6	177	179.3	0	113	D502 A508	D502-K504 PolarHBondContact O-N 2.84Å; K504-A508 WeakPolarHBondContact O-CB 3.26Å; K504-A508 PolarHBondContact O-N 2.91Å
505	E	40.7	Very low	45.1	Very low	138 Å²	138	105.8 Å²	105.8	65%	0.645	61%	0.606	S	S	*	*	H	α-helix	trans	-72.3	-36.9	177.7	-67.3	-175.2	167.1	0	0	111.2	D502 A508 M509	D502-E505 PolarHBondContact O-N 3.44Å; D502-E505 VanDerWaalsContact O-N 3.13Å; E505-A508 PolarHBondContact O-N 3.07Å; E505-M509 WeakPolarHBondContact O-CB 3.49Å; E505-M509 PolarHBondContact O-N 3.12Å
506	A	47.1	Very low	47	Very low	55 Å²	55	106.4 Å²	106.4	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-64.9	-41.7	173.7	0	0	0	0	0	111.9	V510	A506-V510 WeakPolarHBondContact O-CG2 3.44Å; A506-V510 PolarHBondContact O-N 3.48Å
507	M	42.9	Very low	49.3	Very low	96 Å²	96	103.4 Å²	103.4	47%	0.473	58%	0.578	S	S	.	*	H	α-helix	trans	-64.7	-42.8	173.5	-82.2	-178.2	85.7	0	0	112.3	N503 M509 V510 E511	N503-M507 WeakPolarHBondContact O-CB 3.15Å; N503-M507 WeakPolarHBondContact O-CG 3.44Å; N503-M507 PolarHBondContact O-N 3.35Å; N503-M507 VanDerWaalsContact O-N 3.11Å; M507-M509 PolarHBondContact O-N 3.24Å; M507-V510 PolarHBondContact O-N 3.27Å; M507-E511 VanDerWaalsContact O-CG 3.3Å; M507-E511 WeakPolarHBondContact O-CG 3.41Å; M507-E511 PolarHBondContact O-N 2.8Å
508	A	49	Very low	52	Low	51 Å²	51	96.9 Å²	96.9	42%	0.421	54%	0.541	S	S	.	.	H	α-helix	trans	-65.3	-36.2	178.5	0	0	0	0	0	113	K504 E505 E511 L512	K504-A508 WeakPolarHBondContact O-CB 3.26Å; K504-A508 PolarHBondContact O-N 2.91Å; E505-A508 PolarHBondContact O-N 3.07Å; A508-E511 PolarHBondContact O-N 2.65Å; A508-L512 PolarHBondContact O-N 2.95Å
509	M	48.2	Very low	54.2	Low	156 Å²	156	92.9 Å²	92.9	77%	0.768	52%	0.515	S	S	*	.	H	α-helix	trans	-65.8	-40.9	172.2	-92.3	-93.3	-107.7	0	0	112.4	E505 M507 E511 L512 S513	E505-M509 WeakPolarHBondContact O-CB 3.49Å; E505-M509 PolarHBondContact O-N 3.12Å; M507-M509 PolarHBondContact O-N 3.24Å; M509-E511 VanDerWaalsContact C-N 3.26Å; M509-E511 PolarHBondContact O-N 3.5Å; M509-L512 PolarHBondContact O-N 3.28Å; M509-S513 PolarHBondContact O-N 2.92Å
510	V	52.6	Low	56.5	Low	45 Å²	45	86.9 Å²	86.9	27%	0.273	48%	0.476	S	S	.	.	H	α-helix	trans	-64	-34.3	175.1	169.4	0	0	0	0	111.3	T487 A506 M507 L512 S513	T487-V510 HydrophobicContact CG2-CB 4.29Å; T487-V510 HydrophobicContact CG2-CG1 3.61Å; T487-V510 HydrophobicContact CG2-CG2 3.67Å; A506-V510 WeakPolarHBondContact O-CG2 3.44Å; A506-V510 PolarHBondContact O-N 3.48Å; M507-V510 PolarHBondContact O-N 3.27Å; V510-L512 VanDerWaalsContact C-N 3.33Å; V510-L512 PolarHBondContact O-N 2.93Å; V510-S513 WeakPolarHBondContact CA-OG 3.38Å; V510-S513 PolarHBondContact O-N 3.11Å; V510-S513 PolarHBondContact O-OG 3.4Å
511	E	52.4	Low	58.3	Low	44 Å²	44	86 Å²	86	21%	0.206	46%	0.459	C	S	.	.	H	α-helix	trans	-70.7	-22.7	-179.3	-77.5	176.7	170.8	0	0	114.5	M507 A508 M509 V540 R548 R550	M507-E511 VanDerWaalsContact O-CG 3.3Å; M507-E511 WeakPolarHBondContact O-CG 3.41Å; M507-E511 PolarHBondContact O-N 2.8Å; A508-E511 PolarHBondContact O-N 2.65Å; M509-E511 VanDerWaalsContact C-N 3.26Å; M509-E511 PolarHBondContact O-N 3.5Å; E511-V540 HydrophobicContact CB-CG1 4.39Å; E511-V540 HydrophobicContact CG-CG1 4.28Å; E511-R548 IonicContact OE1-CZ 2.82Å; E511-R548 IonicContact OE1-NH1 3.32Å; E511-R548 PolarHBondContact OE1-NH1 2.88Å; E511-R550 PolarHBondContact O-NH2 3.49Å
512	L	58.5	Low	60.6	Low	151 Å²	151	78.1 Å²	78.1	79%	0.791	43%	0.427	S	S	*	.	H	α-helix	trans	-87.8	-27.3	173.6	-116	99.2	0	0	0	112.8	A508 M509 V510 R550	A508-L512 PolarHBondContact O-N 2.95Å; M509-L512 PolarHBondContact O-N 3.28Å; V510-L512 VanDerWaalsContact C-N 3.33Å; V510-L512 PolarHBondContact O-N 2.93Å; L512-R550 PolarHBondContact O-NH2 3.17Å
513	S	67	Low	62.7	Low	58 Å²	58	73.7 Å²	73.7	41%	0.406	41%	0.405	S	S	.	.	S	Bend	trans	-74	143.8	178.7	57.7	0	0	0	0	112	M509 V510 R550	M509-S513 PolarHBondContact O-N 2.92Å; V510-S513 WeakPolarHBondContact CA-OG 3.38Å; V510-S513 PolarHBondContact O-N 3.11Å; V510-S513 PolarHBondContact O-OG 3.4Å; S513-R550 PolarHBondContact O-NH2 3.23Å
514	D	73.6	Confident	64.5	Low	113 Å²	113	68.4 Å²	68.4	60%	0.604	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-71.7	140.3	168.7	-69.9	-26.4	0	0	0	110	I516 R550	D514-I516 PolarHBondContact O-N 2.6Å; D514-R550 IonicContact OD1-CZ 3.81Å; D514-R550 IonicContact OD1-NH1 2.93Å; D514-R550 PolarHBondContact OD1-NH1 2.68Å
515	P	75.1	Confident	66.9	Low	30 Å²	30	60.1 Å²	60.1	20%	0.195	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-62.4	137.6	176.8	26.1	-33.2	0	0	0	110.3	P485 G517 Y518 T538	P485-P515 HydrophobicContact CB-CB 3.94Å; P515-G517 PolarHBondContact O-N 3.43Å; P515-Y518 HydrophobicContact CB-CE1 4.37Å; P515-Y518 HydrophobicContact CG-CE1 3.86Å; P515-Y518 HydrophobicContact CG-CE2 4.42Å; P515-Y518 WeakPolarHBondContact CG-OH 3.44Å; P515-T538 HydrophobicContact CG-CG2 4.2Å
516	I	72.5	Confident	69.2	Low	110 Å²	110	55.3 Å²	55.3	56%	0.564	32%	0.321	S	S	*	.	S	Bend	trans	-66.4	-23.8	-179.3	-59.4	166.1	0	0	0	111	M486 E488 D514	M486-I516 PolarHBondContact O-N 2.61Å; E488-I516 HydrophobicContact CB-CD1 3.68Å; E488-I516 HydrophobicContact CG-CD1 3.53Å; D514-I516 PolarHBondContact O-N 2.6Å
517	G	80.3	Confident	71.3	Confident	20 Å²	20	53.1 Å²	53.1	21%	0.206	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.7	176.4	175.8	0	0	0	0	0	112.4	M486 P515	M486-G517 PolarHBondContact N-O 3.39Å; P515-G517 PolarHBondContact O-N 3.43Å
518	Y	85	Confident	73.6	Confident	22 Å²	22	48.7 Å²	48.7	9%	0.086	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	144.9	-175.4	-72.9	-57.7	0	0	0	110.8	V483 P485 P515 V529 S530 A533 T538 L539	V483-Y518 HydrophobicContact CG1-CD1 3.69Å; V483-Y518 HydrophobicContact CG1-CG 3.9Å; P485-Y518 HydrophobicContact CB-CD1 4.29Å; P485-Y518 HydrophobicContact CB-CE1 4.15Å; P515-Y518 HydrophobicContact CB-CE1 4.37Å; P515-Y518 HydrophobicContact CG-CE1 3.86Å; P515-Y518 HydrophobicContact CG-CE2 4.42Å; P515-Y518 WeakPolarHBondContact CG-OH 3.44Å; Y518-V529 HydrophobicContact CD1-CG1 3.92Å; Y518-V529 HydrophobicContact CD2-CG1 4.21Å; Y518-V529 HydrophobicContact CE1-CG1 3.75Å; Y518-V529 HydrophobicContact CE2-CG1 4.03Å; Y518-V529 HydrophobicContact CG-CG1 4.15Å; Y518-S530 WeakPolarHBondContact CD2-OG 3.43Å; Y518-A533 HydrophobicContact CE2-CB 4.19Å; Y518-T538 WeakPolarHBondContact OH-CG2 3.37Å; Y518-L539 HydrophobicContact CD1-CD2 4.31Å; Y518-L539 HydrophobicContact CE1-CB 3.91Å; Y518-L539 HydrophobicContact CE1-CD2 4.05Å; Y518-L539 HydrophobicContact CE1-CG 4.39Å; Y518-L539 PolarHBondContact OH-N 3.41Å; Y518-L539 PolarHBondContact OH-O 2.87Å
519	Q	75.4	Confident	75.7	Confident	33 Å²	33	46.3 Å²	46.3	15%	0.154	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.1	179.4	-59.6	-172.3	-7	0	0	111.2	W203 V483 T484 M486	W203-Q519 HydrophobicContact CH2-CG 4.44Å; W203-Q519 HydrophobicContact CZ3-CB 3.94Å; W203-Q519 HydrophobicContact CZ3-CG 3.83Å; V483-Q519 CarbonylContact C-O 3.55Å; V483-Q519 WeakPolarHBondContact CA-O 3.47Å; T484-Q519 PolarHBondContact N-O 3.06Å; T484-Q519 PolarHBondContact O-N 3.49Å; M486-Q519 HydrophobicContact CE-CG 3.17Å; M486-Q519 VanDerWaalsContact CE-NE2 3.27Å; M486-Q519 HydrophobicContact CG-CG 3.6Å; M486-Q519 VanDerWaalsContact CG-NE2 3.25Å; M486-Q519 HydrophobicContact SD-CG 3.94Å; M486-Q519 PolarHBondContact SD-NE2 3.35Å
520	A	80.1	Confident	77.7	Confident	6 Å²	6	41 Å²	41	5%	0.05	24%	0.24	C	C	.	.			trans	-151.1	169	171.2	0	0	0	0	0	111.7	V483 S522 E525 V526	V483-A520 HydrophobicContact CB-CB 4.19Å; V483-A520 HydrophobicContact CG2-CB 3.61Å; A520-S522 VanDerWaalsContact C-N 3.27Å; A520-S522 PolarHBondContact O-N 3.11Å; A520-E525 HydrophobicContact CB-CB 4.17Å; A520-V526 HydrophobicContact CB-CG2 3.82Å
521	S	72.4	Confident	79.6	Confident	53 Å²	53	39.8 Å²	39.8	37%	0.371	23%	0.23	S	C	.	.	S	Bend	trans	-68.3	-25.4	172.8	-51.7	0	0	0	0	113.1
522	S	78.9	Confident	81.6	Confident	18 Å²	18	37.7 Å²	37.7	13%	0.126	22%	0.221	C	C	.	.	S	Bend	trans	-122.9	132.7	176.6	165.1	0	0	0	0	110.8	A520 D524 E525	A520-S522 VanDerWaalsContact C-N 3.27Å; A520-S522 PolarHBondContact O-N 3.11Å; S522-D524 PolarHBondContact O-N 3.18Å; S522-D524 PolarHBondContact OG-N 2.85Å; S522-E525 PolarHBondContact O-N 3.41Å
523	P	80.5	Confident	83.1	Confident	32 Å²	32	31.7 Å²	31.7	21%	0.208	19%	0.193	C	C	.	.	H	α-helix	trans	-68	-21.6	178.3	29.1	-35.6	0	0	0	112.8	D202 M417 E525 V526 A527	D202-P523 WeakPolarHBondContact OD1-CD 3.22Å; M417-P523 HydrophobicContact CB-CB 4.42Å; M417-P523 HydrophobicContact CG-CB 3.72Å; M417-P523 HydrophobicContact CG-CG 3.96Å; P523-E525 VanDerWaalsContact C-N 3.25Å; P523-E525 PolarHBondContact O-N 3.16Å; P523-V526 PolarHBondContact O-N 3.48Å; P523-A527 PolarHBondContact O-N 3.02Å
524	D	84.8	Confident	84.1	Confident	23 Å²	23	33.9 Å²	33.9	12%	0.123	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-38.8	174.8	-62.7	-31	0	0	0	110.6	M417 S522 A527 L528 R620	M417-D524 WeakPolarHBondContact CE-OD1 3.36Å; S522-D524 PolarHBondContact O-N 3.18Å; S522-D524 PolarHBondContact OG-N 2.85Å; D524-A527 PolarHBondContact O-N 3.18Å; D524-L528 VanDerWaalsContact O-CG 3.29Å; D524-L528 WeakPolarHBondContact O-CG 3.24Å; D524-L528 PolarHBondContact O-N 3.08Å; D524-R620 IonicContact OD1-CZ 3.62Å; D524-R620 IonicContact OD1-NH1 2.89Å; D524-R620 PolarHBondContact OD1-NH1 3.26Å; D524-R620 IonicContact OD2-NH1 3.67Å; D524-R620 PolarHBondContact OD2-NH1 2.88Å
525	E	88.1	Confident	84.8	Confident	8 Å²	8	28.6 Å²	28.6	4%	0.037	18%	0.175	C	C	.	.	H	α-helix	trans	-71.4	-38.9	178.7	-49.6	-160.4	129.6	0	0	112.4	H481 N482 V483 A520 S522 P523 A527 L528 V529 K591	H481-E525 HydrophobicContact CB-CB 4.38Å; N482-E525 WeakPolarHBondContact CA-OE2 3.11Å; N482-E525 WeakPolarHBondContact CB-OE2 3.47Å; N482-E525 PolarHBondContact N-OE2 3.36Å; V483-E525 HydrophobicContact CG2-CB 3.61Å; V483-E525 WeakPolarHBondContact CG2-O 3.42Å; A520-E525 HydrophobicContact CB-CB 4.17Å; S522-E525 PolarHBondContact O-N 3.41Å; P523-E525 VanDerWaalsContact C-N 3.25Å; P523-E525 PolarHBondContact O-N 3.16Å; E525-A527 VanDerWaalsContact C-N 3.26Å; E525-A527 PolarHBondContact O-N 3.35Å; E525-L528 PolarHBondContact O-N 3.37Å; E525-V529 WeakPolarHBondContact O-CG2 3.37Å; E525-V529 PolarHBondContact O-N 3.02Å; E525-K591 VanDerWaalsContact OE1-CE 3.31Å; E525-K591 WeakPolarHBondContact OE1-CE 3.44Å; E525-K591 IonicContact OE1-NZ 3.48Å; E525-K591 PolarHBondContact OE1-NZ 2.98Å
526	V	88.7	Confident	85.4	Confident	37 Å²	37	28.2 Å²	28.2	22%	0.224	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-42.9	174.4	178.4	0	0	0	0	109.6	V483 A520 P523 S530	V483-V526 HydrophobicContact CG2-CG2 4.46Å; A520-V526 HydrophobicContact CB-CG2 3.82Å; P523-V526 PolarHBondContact O-N 3.48Å; V526-S530 WeakPolarHBondContact O-CB 3.39Å; V526-S530 PolarHBondContact O-N 3.48Å; V526-S530 PolarHBondContact O-OG 2.86Å
527	A	90.5	Very high	86.3	Confident	9 Å²	9	23 Å²	23	7%	0.074	15%	0.151	C	C	.	.	H	α-helix	trans	-63.2	-43.6	176.9	0	0	0	0	0	112.5	M417 P523 D524 E525 W531 V674	M417-A527 HydrophobicContact CB-CB 3.79Å; M417-A527 WeakPolarHBondContact O-CB 3.36Å; P523-A527 PolarHBondContact O-N 3.02Å; D524-A527 PolarHBondContact O-N 3.18Å; E525-A527 VanDerWaalsContact C-N 3.26Å; E525-A527 PolarHBondContact O-N 3.35Å; A527-W531 VanDerWaalsContact O-CB 3.27Å; A527-W531 WeakPolarHBondContact O-CB 3.27Å; A527-W531 PolarHBondContact O-N 3.35Å; A527-V674 HydrophobicContact CB-CG1 4.26Å
528	L	93	Very high	86.8	Confident	4 Å²	4	22.8 Å²	22.8	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-61.2	-49.9	177.2	-74.4	166	0	0	0	111.7	F419 I477 D524 E525 W531 T532 K591 L622 T672 V674	F419-L528 HydrophobicContact CD2-CD2 3.51Å; F419-L528 HydrophobicContact CE2-CD2 3.61Å; I477-L528 HydrophobicContact CG2-CB 3.8Å; I477-L528 HydrophobicContact CG2-CD2 3.74Å; I477-L528 HydrophobicContact CG2-CG 4.29Å; D524-L528 VanDerWaalsContact O-CG 3.29Å; D524-L528 WeakPolarHBondContact O-CG 3.24Å; D524-L528 PolarHBondContact O-N 3.08Å; E525-L528 PolarHBondContact O-N 3.37Å; L528-W531 WeakPolarHBondContact O-CB 3.29Å; L528-W531 PolarHBondContact O-N 2.88Å; L528-T532 WeakPolarHBondContact O-CG2 3.48Å; L528-T532 PolarHBondContact O-N 2.94Å; L528-K591 HydrophobicContact CD1-CD 4.41Å; L528-L622 HydrophobicContact CD1-CD1 4.17Å; L528-T672 HydrophobicContact CD2-CG2 4.29Å; L528-V674 HydrophobicContact CD2-CG2 4.44Å
529	V	92.3	Very high	87.2	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-72.1	-36.7	-178.3	175.9	0	0	0	0	112.2	H481 V483 Y518 E525 W531 T532 A533 L539	H481-V529 HydrophobicContact CB-CG2 3.91Å; H481-V529 VanDerWaalsContact CD2-CG2 3.49Å; H481-V529 WeakPolarHBondContact CD2-CG2 3.31Å; V483-V529 HydrophobicContact CB-CG2 4.12Å; V483-V529 HydrophobicContact CG1-CB 4.48Å; V483-V529 HydrophobicContact CG1-CG1 4.39Å; V483-V529 HydrophobicContact CG2-CB 4.23Å; V483-V529 HydrophobicContact CG2-CG2 3.76Å; Y518-V529 HydrophobicContact CD1-CG1 3.92Å; Y518-V529 HydrophobicContact CD2-CG1 4.21Å; Y518-V529 HydrophobicContact CE1-CG1 3.75Å; Y518-V529 HydrophobicContact CE2-CG1 4.03Å; Y518-V529 HydrophobicContact CG-CG1 4.15Å; E525-V529 WeakPolarHBondContact O-CG2 3.37Å; E525-V529 PolarHBondContact O-N 3.02Å; V529-W531 PolarHBondContact O-N 3.47Å; V529-T532 PolarHBondContact O-N 2.94Å; V529-T532 PolarHBondContact O-OG1 3.33Å; V529-A533 PolarHBondContact O-N 3.01Å; V529-L539 HydrophobicContact CG1-CB 3.95Å; V529-L539 HydrophobicContact CG1-CD2 4.12Å
530	S	90.8	Very high	87.8	Confident	46 Å²	46	20.8 Å²	20.8	32%	0.322	14%	0.138	S	C	.	.	H	α-helix	trans	-63.1	-36.3	173.5	-56.7	0	0	0	0	111.2	Y518 V526 T534	Y518-S530 WeakPolarHBondContact CD2-OG 3.43Å; V526-S530 WeakPolarHBondContact O-CB 3.39Å; V526-S530 PolarHBondContact O-N 3.48Å; V526-S530 PolarHBondContact O-OG 2.86Å; S530-T534 PolarHBondContact O-N 3.16Å; S530-T534 PolarHBondContact O-OG1 3.49Å
531	W	92.7	Very high	88.1	Confident	18 Å²	18	23.6 Å²	23.6	7%	0.068	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-47.2	174.1	171.7	76.7	0	0	0	111.8	F419 L422 M434 V474 I477 A527 L528 V529 A533 T534 V535	F419-W531 HydrophobicContact CB-CB 3.58Å; F419-W531 HydrophobicContact CB-CD2 4.39Å; F419-W531 HydrophobicContact CB-CG 3.67Å; F419-W531 HydrophobicContact CD1-CB 4.38Å; F419-W531 AromaticContact CD1-CD1 3.48Å; F419-W531 VanDerWaalsContact CD1-CD1 3.48Å; F419-W531 AromaticContact CD1-CD2 3.55Å; F419-W531 HydrophobicContact CD1-CD2 3.55Å; F419-W531 AromaticContact CD1-CE2 3.51Å; F419-W531 HydrophobicContact CD1-CE3 4.31Å; F419-W531 AromaticContact CD1-CG 3.53Å; F419-W531 HydrophobicContact CD1-CG 3.53Å; F419-W531 HydrophobicContact CD1-CZ2 4.21Å; F419-W531 AromaticContact CD1-NE1 3.46Å; F419-W531 HydrophobicContact CD2-CD2 4.2Å; F419-W531 HydrophobicContact CD2-CE3 4.28Å; F419-W531 HydrophobicContact CD2-CG 4.32Å; F419-W531 AromaticContact CE1-CD2 3.75Å; F419-W531 HydrophobicContact CE1-CD2 3.75Å; F419-W531 AromaticContact CE1-CE2 3.43Å; F419-W531 VanDerWaalsContact CE1-CE2 3.43Å; F419-W531 HydrophobicContact CE1-CE3 4.24Å; F419-W531 HydrophobicContact CE1-CG 4.24Å; F419-W531 HydrophobicContact CE1-CH2 4.15Å; F419-W531 AromaticContact CE1-CZ2 3.65Å; F419-W531 HydrophobicContact CE1-CZ2 3.65Å; F419-W531 HydrophobicContact CE1-CZ3 4.42Å; F419-W531 AromaticContact CE1-NE1 3.77Å; F419-W531 HydrophobicContact CE2-CD2 4.33Å; F419-W531 HydrophobicContact CE2-CE3 4.15Å; F419-W531 HydrophobicContact CE2-CZ3 4.4Å; F419-W531 HydrophobicContact CG-CB 3.95Å; F419-W531 AromaticContact CG-CD1 3.93Å; F419-W531 AromaticContact CG-CD2 3.79Å; F419-W531 HydrophobicContact CG-CD2 3.79Å; F419-W531 HydrophobicContact CG-CE3 4.33Å; F419-W531 AromaticContact CG-CG 3.58Å; F419-W531 HydrophobicContact CG-CG 3.58Å; F419-W531 HydrophobicContact CZ-CD2 4.13Å; F419-W531 HydrophobicContact CZ-CE3 4.15Å; F419-W531 HydrophobicContact CZ-CH2 4.09Å; F419-W531 HydrophobicContact CZ-CZ2 4.07Å; F419-W531 HydrophobicContact CZ-CZ3 4.14Å; L422-W531 HydrophobicContact CD1-CH2 4.48Å; L422-W531 HydrophobicContact CD2-CH2 3.92Å; L422-W531 HydrophobicContact CD2-CZ2 4.29Å; M434-W531 HydrophobicContact CE-CZ2 4.19Å; M434-W531 HydrophobicContact SD-CZ2 3.67Å; M434-W531 PolarHBondContact SD-NE1 3.46Å; V474-W531 HydrophobicContact CG2-CH2 3.83Å; V474-W531 HydrophobicContact CG2-CZ3 4.34Å; I477-W531 HydrophobicContact CD1-CH2 4.33Å; I477-W531 HydrophobicContact CD1-CZ3 3.71Å; I477-W531 HydrophobicContact CG2-CE3 4.37Å; I477-W531 HydrophobicContact CG2-CZ3 4.33Å; A527-W531 VanDerWaalsContact O-CB 3.27Å; A527-W531 WeakPolarHBondContact O-CB 3.27Å; A527-W531 PolarHBondContact O-N 3.35Å; L528-W531 WeakPolarHBondContact O-CB 3.29Å; L528-W531 PolarHBondContact O-N 2.88Å; V529-W531 PolarHBondContact O-N 3.47Å; W531-A533 PolarHBondContact O-N 3.49Å; W531-T534 WeakPolarHBondContact O-CA 3.27Å; W531-T534 VanDerWaalsContact O-CB 3.31Å; W531-T534 WeakPolarHBondContact O-CB 3.17Å; W531-T534 PolarHBondContact O-N 2.82Å; W531-V535 HydrophobicContact CD2-CG2 4.13Å; W531-V535 HydrophobicContact CH2-CG2 4.39Å; W531-V535 HydrophobicContact CZ2-CG2 3.72Å; W531-V535 WeakPolarHBondContact O-CG2 3.39Å; W531-V535 PolarHBondContact O-N 3.45Å; W531-V535 VanDerWaalsContact O-N 3.09Å
532	T	92.8	Very high	88.8	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-58.5	-37.9	178.2	59.9	0	0	0	0	111.7	V474 I477 A478 L528 V529 T534 V535 G536 V537	V474-T532 HydrophobicContact CG1-CG2 4.27Å; I477-T532 HydrophobicContact CB-CG2 4.06Å; I477-T532 HydrophobicContact CG2-CG2 3.64Å; A478-T532 HydrophobicContact CB-CG2 3.94Å; L528-T532 WeakPolarHBondContact O-CG2 3.48Å; L528-T532 PolarHBondContact O-N 2.94Å; V529-T532 PolarHBondContact O-N 2.94Å; V529-T532 PolarHBondContact O-OG1 3.33Å; T532-T534 VanDerWaalsContact C-N 3.3Å; T532-T534 PolarHBondContact O-N 2.91Å; T532-V535 PolarHBondContact O-N 3.34Å; T532-V535 VanDerWaalsContact O-N 3.15Å; T532-G536 PolarHBondContact O-N 3.1Å; T532-V537 CarbonylContact C-O 3.5Å; T532-V537 WeakPolarHBondContact CB-O 3.44Å; T532-V537 CarbonylContact O-C 3.51Å; T532-V537 WeakPolarHBondContact O-CA 3.4Å; T532-V537 PolarHBondContact O-N 3.12Å; T532-V537 VanDerWaalsContact O-O 3.08Å; T532-V537 PolarHBondContact OG1-O 3.11Å
533	A	90.3	Very high	88.9	Confident	24 Å²	24	24 Å²	24	20%	0.198	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-39.3	173.9	0	0	0	0	0	112.2	Y518 V529 W531 V535 G536 V537 T538	Y518-A533 HydrophobicContact CE2-CB 4.19Å; V529-A533 PolarHBondContact O-N 3.01Å; W531-A533 PolarHBondContact O-N 3.49Å; A533-V535 VanDerWaalsContact C-N 3.31Å; A533-V535 PolarHBondContact O-N 2.88Å; A533-G536 PolarHBondContact O-N 2.87Å; A533-G536 VanDerWaalsContact O-N 3.11Å; A533-V537 WeakPolarHBondContact CA-O 3.35Å; A533-V537 PolarHBondContact N-O 2.85Å; A533-V537 VanDerWaalsContact N-O 3.1Å; A533-T538 HydrophobicContact CB-CG2 4.22Å
534	T	88.9	Confident	89	Confident	104 Å²	104	28.6 Å²	28.6	64%	0.638	17%	0.166	S	C	*	.	H	α-helix	trans	-66.3	-32.1	176.5	-53.1	0	0	0	0	112.3	S530 W531 T532 G536	S530-T534 PolarHBondContact O-N 3.16Å; S530-T534 PolarHBondContact O-OG1 3.49Å; W531-T534 WeakPolarHBondContact O-CA 3.27Å; W531-T534 VanDerWaalsContact O-CB 3.31Å; W531-T534 WeakPolarHBondContact O-CB 3.17Å; W531-T534 PolarHBondContact O-N 2.82Å; T532-T534 VanDerWaalsContact C-N 3.3Å; T532-T534 PolarHBondContact O-N 2.91Å; T534-G536 PolarHBondContact O-N 3.47Å
535	V	88.7	Confident	89.1	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.6	176.6	-161.1	0	0	0	0	112.2	M434 V437 I438 L441 W531 T532 A533	M434-V535 HydrophobicContact CG-CG2 4.45Å; M434-V535 HydrophobicContact SD-CG2 4.18Å; V437-V535 HydrophobicContact CB-CG1 4.01Å; V437-V535 HydrophobicContact CG1-CG1 3.52Å; I438-V535 HydrophobicContact CG1-CB 4.35Å; I438-V535 HydrophobicContact CG1-CG1 3.74Å; L441-V535 HydrophobicContact CD1-CB 4.25Å; L441-V535 HydrophobicContact CD1-CG1 3.44Å; L441-V535 VanDerWaalsContact CD1-CG1 3.44Å; L441-V535 HydrophobicContact CG-CG1 4.35Å; W531-V535 HydrophobicContact CD2-CG2 4.13Å; W531-V535 HydrophobicContact CH2-CG2 4.39Å; W531-V535 HydrophobicContact CZ2-CG2 3.72Å; W531-V535 WeakPolarHBondContact O-CG2 3.39Å; W531-V535 PolarHBondContact O-N 3.45Å; W531-V535 VanDerWaalsContact O-N 3.09Å; T532-V535 PolarHBondContact O-N 3.34Å; T532-V535 VanDerWaalsContact O-N 3.15Å; A533-V535 VanDerWaalsContact C-N 3.31Å; A533-V535 PolarHBondContact O-N 2.88Å
536	G	87.1	Confident	89.1	Confident	23 Å²	23	38.5 Å²	38.5	24%	0.237	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	8.2	176.5	0	0	0	0	0	115.2	T532 A533 T534 L551 P552	T532-G536 PolarHBondContact O-N 3.1Å; A533-G536 PolarHBondContact O-N 2.87Å; A533-G536 VanDerWaalsContact O-N 3.11Å; T534-G536 PolarHBondContact O-N 3.47Å; G536-L551 CarbonylContact O-C 3.5Å; G536-P552 WeakPolarHBondContact O-CA 3.43Å; G536-P552 VanDerWaalsContact O-CD 3.28Å; G536-P552 WeakPolarHBondContact O-CD 3.21Å; G536-P552 WeakPolarHBondContact O-CG 3.3Å
537	V	90.9	Very high	89.2	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.196	C	C	.	.			trans	-107.7	91.7	171.7	-176.8	0	0	0	0	109.3	L441 V474 A478 T532 A533 L549 R550 L551 P552	L441-V537 HydrophobicContact CD1-CG2 4.3Å; V474-V537 HydrophobicContact CG1-CB 4.26Å; V474-V537 HydrophobicContact CG1-CG2 3.87Å; A478-V537 HydrophobicContact CB-CG1 3.64Å; T532-V537 CarbonylContact C-O 3.5Å; T532-V537 WeakPolarHBondContact CB-O 3.44Å; T532-V537 CarbonylContact O-C 3.51Å; T532-V537 WeakPolarHBondContact O-CA 3.4Å; T532-V537 PolarHBondContact O-N 3.12Å; T532-V537 VanDerWaalsContact O-O 3.08Å; T532-V537 PolarHBondContact OG1-O 3.11Å; A533-V537 WeakPolarHBondContact CA-O 3.35Å; A533-V537 PolarHBondContact N-O 2.85Å; A533-V537 VanDerWaalsContact N-O 3.1Å; V537-L549 HydrophobicContact CG1-CB 4.46Å; V537-L549 HydrophobicContact CG1-CD1 4.26Å; V537-R550 CarbonylContact C-O 3.21Å; V537-R550 WeakPolarHBondContact CA-O 3.32Å; V537-L551 HydrophobicContact CG2-CD2 4.35Å; V537-P552 HydrophobicContact CG2-CG 4.38Å
538	T	91.7	Very high	89.2	Confident	15 Å²	15	38.9 Å²	38.9	9%	0.092	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.1	-171.2	-57.9	0	0	0	0	111	P515 Y518 A533 V540 L549 R550	P515-T538 HydrophobicContact CG-CG2 4.2Å; Y518-T538 WeakPolarHBondContact OH-CG2 3.37Å; A533-T538 HydrophobicContact CB-CG2 4.22Å; T538-V540 PolarHBondContact O-N 3.08Å; T538-L549 CarbonylContact O-C 3.58Å; T538-L549 WeakPolarHBondContact O-CA 3.44Å; T538-R550 PolarHBondContact N-O 2.92Å; T538-R550 PolarHBondContact O-N 3.32Å
539	L	91.5	Very high	89.2	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	113.6	169.4	176.6	75.8	0	0	0	109.8	H481 V483 P485 Y518 V529 R542 M547 L549	H481-L539 WeakPolarHBondContact CE1-CD2 3.37Å; V483-L539 HydrophobicContact CG1-CD2 4.44Å; P485-L539 HydrophobicContact CG-CD2 4.44Å; P485-L539 HydrophobicContact CG-CG 4.49Å; Y518-L539 HydrophobicContact CD1-CD2 4.31Å; Y518-L539 HydrophobicContact CE1-CB 3.91Å; Y518-L539 HydrophobicContact CE1-CD2 4.05Å; Y518-L539 HydrophobicContact CE1-CG 4.39Å; Y518-L539 PolarHBondContact OH-N 3.41Å; Y518-L539 PolarHBondContact OH-O 2.87Å; V529-L539 HydrophobicContact CG1-CB 3.95Å; V529-L539 HydrophobicContact CG1-CD2 4.12Å; L539-R542 HydrophobicContact CD1-CB 4.32Å; L539-M547 HydrophobicContact CD1-CG 3.65Å; L539-M547 HydrophobicContact CD1-SD 4.2Å; L539-L549 HydrophobicContact CB-CD2 4.03Å; L539-L549 HydrophobicContact CD1-CD2 3.65Å; L539-L549 HydrophobicContact CG-CD2 4.48Å
540	V	89.1	Confident	89.1	Confident	12 Å²	12	40 Å²	40	7%	0.073	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-43.5	-177.7	-177.7	0	0	0	0	111.1	P485 E511 T538 R548 R550 L556	P485-V540 WeakPolarHBondContact CG-O 3.36Å; E511-V540 HydrophobicContact CB-CG1 4.39Å; E511-V540 HydrophobicContact CG-CG1 4.28Å; T538-V540 PolarHBondContact O-N 3.08Å; V540-R548 PolarHBondContact N-O 3.39Å; V540-R550 HydrophobicContact CG2-CB 3.73Å; V540-L556 HydrophobicContact CG2-CD2 4.29Å
541	F	86.3	Confident	89	Confident	64 Å²	64	38.4 Å²	38.4	28%	0.281	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.2	-176.7	177.7	-95.9	0	0	0	111.4	D543 R546 M547 R548	F541-D543 HydrophobicContact CE1-CB 4.15Å; F541-D543 WeakPolarHBondContact CE1-OD2 3.46Å; F541-D543 HydrophobicContact CZ-CB 3.96Å; F541-R546 HydrophobicContact CE1-CB 4.4Å; F541-M547 WeakPolarHBondContact O-CA 3.43Å; F541-R548 HydrophobicContact CB-CB 4.19Å; F541-R548 PolarHBondContact N-O 2.94Å; F541-R548 PolarHBondContact O-N 3.3Å
542	R	86.2	Confident	88.6	Confident	16 Å²	16	38.9 Å²	38.9	6%	0.06	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	133.4	172.2	-172.8	-171	174.5	122.3	-3.6	111	H481 N482 V483 L539 R546 M547	H481-R542 PolarHBondContact CE1-NH1 3.42Å; H481-R542 PolarHBondContact ND1-NH1 2.82Å; H481-R542 PolarHBondContact O-NH1 3.47Å; H481-R542 PolarHBondContact O-NH2 3.31Å; N482-R542 PolarHBondContact OD1-NH2 2.9Å; V483-R542 WeakPolarHBondContact O-CD 3.38Å; L539-R542 HydrophobicContact CD1-CB 4.32Å; R542-R546 WeakPolarHBondContact CA-O 3.35Å; R542-M547 HydrophobicContact CG-CE 4.47Å
543	D	82.7	Confident	88.2	Confident	64 Å²	64	41.8 Å²	41.8	34%	0.342	22%	0.215	S	C	.	.			trans	-126.2	-162	163.1	66.8	32.7	0	0	0	110.5	F541 H545 R546	F541-D543 HydrophobicContact CE1-CB 4.15Å; F541-D543 WeakPolarHBondContact CE1-OD2 3.46Å; F541-D543 HydrophobicContact CZ-CB 3.96Å; D543-H545 VanDerWaalsContact C-N 3.29Å; D543-H545 PolarHBondContact O-N 3.41Å; D543-H545 WeakPolarHBondContact OD1-CA 3.45Å; D543-H545 PolarHBondContact OD1-N 3.28Å; D543-R546 PolarHBondContact N-O 2.8Å; D543-R546 PolarHBondContact OD1-N 3.31Å
544	L	81.3	Confident	87.8	Confident	128 Å²	128	46.8 Å²	46.8	67%	0.67	24%	0.238	S	C	*	.	S	Bend	trans	-72.1	-18.2	179.5	-66.6	174.4	0	0	0	114.1
545	H	86.7	Confident	87.7	Confident	127 Å²	127	44.1 Å²	44.1	59%	0.588	22%	0.224	S	C	*	.	S	Bend	trans	-127.6	-16	-169.6	-62	-55.4	0	0	0	114	D543 E560 I561	D543-H545 VanDerWaalsContact C-N 3.29Å; D543-H545 PolarHBondContact O-N 3.41Å; D543-H545 WeakPolarHBondContact OD1-CA 3.45Å; D543-H545 PolarHBondContact OD1-N 3.28Å; H545-E560 CarbonylContact O-C 3.45Å; H545-I561 PolarHBondContact O-N 3.37Å
546	R	89	Confident	87.8	Confident	113 Å²	113	48 Å²	48	43%	0.426	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.4	-172.4	-60.9	-174.6	-176.8	-165.9	2.3	110.7	F541 R542 D543 Y559	F541-R546 HydrophobicContact CE1-CB 4.4Å; R542-R546 WeakPolarHBondContact CA-O 3.35Å; D543-R546 PolarHBondContact N-O 2.8Å; D543-R546 PolarHBondContact OD1-N 3.31Å; R546-Y559 WeakPolarHBondContact CA-O 3.3Å
547	M	90.9	Very high	87.9	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.6	174.5	176	-175	-67.4	0	0	109.3	I479 L539 F541 R542 L549 E558 Y559 I561	I479-M547 HydrophobicContact CB-SD 4.41Å; I479-M547 HydrophobicContact CG1-SD 4.31Å; I479-M547 HydrophobicContact CG2-SD 4.4Å; L539-M547 HydrophobicContact CD1-CG 3.65Å; L539-M547 HydrophobicContact CD1-SD 4.2Å; F541-M547 WeakPolarHBondContact O-CA 3.43Å; R542-M547 HydrophobicContact CG-CE 4.47Å; M547-L549 HydrophobicContact CG-CD2 4.26Å; M547-L549 HydrophobicContact CG-CG 4.45Å; M547-L549 HydrophobicContact SD-CD2 4.18Å; M547-L549 HydrophobicContact SD-CG 4.42Å; M547-E558 WeakPolarHBondContact O-CA 3.32Å; M547-Y559 PolarHBondContact N-O 2.71Å; M547-Y559 PolarHBondContact O-N 3.41Å; M547-I561 HydrophobicContact CB-CD1 4.25Å; M547-I561 HydrophobicContact CB-CG1 4.41Å; M547-I561 HydrophobicContact CE-CD1 4.42Å
548	R	91.1	Very high	88	Confident	54 Å²	54	50.3 Å²	50.3	20%	0.204	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.7	174	-63.9	179.3	-177.4	173.2	-4.1	110.9	E511 V540 F541 V557 E558	E511-R548 IonicContact OE1-CZ 2.82Å; E511-R548 IonicContact OE1-NH1 3.32Å; E511-R548 PolarHBondContact OE1-NH1 2.88Å; V540-R548 PolarHBondContact N-O 3.39Å; F541-R548 HydrophobicContact CB-CB 4.19Å; F541-R548 PolarHBondContact N-O 2.94Å; F541-R548 PolarHBondContact O-N 3.3Å; R548-V557 WeakPolarHBondContact CA-O 3.22Å; R548-E558 HydrophobicContact CG-CB 4.27Å; R548-E558 HydrophobicContact CG-CG 3.9Å; R548-E558 IonicContact CZ-OE1 2.97Å; R548-E558 IonicContact NE-OE1 2.71Å; R548-E558 PolarHBondContact NE-OE1 2.69Å; R548-E558 IonicContact NH2-OE1 3.45Å; R548-E558 PolarHBondContact NH2-OE1 2.83Å; R548-E558 IonicContact NH2-OE2 3.49Å
549	L	91.5	Very high	88.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.4	176.9	-58.1	-178.9	0	0	0	109.4	L475 A478 I479 V537 T538 L539 M547 L556 V557 Y559	L475-L549 HydrophobicContact CD1-CD1 3.84Å; A478-L549 HydrophobicContact CB-CD1 3.93Å; A478-L549 HydrophobicContact CB-CD2 4.48Å; I479-L549 HydrophobicContact CG1-CD1 3.79Å; V537-L549 HydrophobicContact CG1-CB 4.46Å; V537-L549 HydrophobicContact CG1-CD1 4.26Å; T538-L549 CarbonylContact O-C 3.58Å; T538-L549 WeakPolarHBondContact O-CA 3.44Å; L539-L549 HydrophobicContact CB-CD2 4.03Å; L539-L549 HydrophobicContact CD1-CD2 3.65Å; L539-L549 HydrophobicContact CG-CD2 4.48Å; M547-L549 HydrophobicContact CG-CD2 4.26Å; M547-L549 HydrophobicContact CG-CG 4.45Å; M547-L549 HydrophobicContact SD-CD2 4.18Å; M547-L549 HydrophobicContact SD-CG 4.42Å; L549-L556 WeakPolarHBondContact O-CA 3.39Å; L549-V557 PolarHBondContact N-O 2.94Å; L549-V557 PolarHBondContact O-N 3.41Å; L549-Y559 HydrophobicContact CD1-CD2 4.4Å; L549-Y559 HydrophobicContact CD1-CE2 3.99Å; L549-Y559 HydrophobicContact CG-CE2 4.49Å
550	R	90	Very high	88.2	Confident	28 Å²	28	52.9 Å²	52.9	11%	0.106	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.4	166.7	-169.3	-171.6	-58.6	147.4	3.1	108.3	E511 L512 S513 D514 V537 T538 V540 L556	E511-R550 PolarHBondContact O-NH2 3.49Å; L512-R550 PolarHBondContact O-NH2 3.17Å; S513-R550 PolarHBondContact O-NH2 3.23Å; D514-R550 IonicContact OD1-CZ 3.81Å; D514-R550 IonicContact OD1-NH1 2.93Å; D514-R550 PolarHBondContact OD1-NH1 2.68Å; V537-R550 CarbonylContact C-O 3.21Å; V537-R550 WeakPolarHBondContact CA-O 3.32Å; T538-R550 PolarHBondContact N-O 2.92Å; T538-R550 PolarHBondContact O-N 3.32Å; V540-R550 HydrophobicContact CG2-CB 3.73Å; R550-L556 HydrophobicContact CB-CD2 3.93Å; R550-L556 HydrophobicContact CG-CD2 4.26Å
551	L	89.6	Confident	88.4	Confident	11 Å²	11	52.7 Å²	52.7	6%	0.058	26%	0.259	C	S	.	.			trans	-84	167.3	177.4	-71.4	178	0	0	0	111.5	F445 G536 V537 N553 D554 S555 V557	F445-L551 HydrophobicContact CD1-CD1 3.8Å; F445-L551 HydrophobicContact CD1-CD2 4.24Å; F445-L551 HydrophobicContact CE1-CD1 3.84Å; F445-L551 HydrophobicContact CE1-CD2 3.74Å; F445-L551 HydrophobicContact CE1-CG 4.41Å; F445-L551 HydrophobicContact CE2-CD2 4.03Å; F445-L551 HydrophobicContact CZ-CD2 3.63Å; G536-L551 CarbonylContact O-C 3.5Å; V537-L551 HydrophobicContact CG2-CD2 4.35Å; L551-N553 VanDerWaalsContact CB-OD1 3.23Å; L551-N553 WeakPolarHBondContact CB-OD1 3.38Å; L551-N553 PolarHBondContact O-N 3.46Å; L551-D554 WeakPolarHBondContact O-CA 3.3Å; L551-D554 PolarHBondContact O-N 2.81Å; L551-S555 WeakPolarHBondContact CD1-OG 3.12Å; L551-S555 PolarHBondContact N-O 3.29Å; L551-V557 HydrophobicContact CD1-CG2 3.34Å; L551-V557 HydrophobicContact CG-CG2 3.83Å
552	P	84.8	Confident	88.7	Confident	28 Å²	28	51.3 Å²	51.3	18%	0.182	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.3	-179.3	-24.4	33.7	0	0	0	115.4	L441 R442 F445 G536 V537	L441-P552 HydrophobicContact CB-CG 4.27Å; R442-P552 HydrophobicContact CG-CB 4.12Å; F445-P552 HydrophobicContact CD2-CG 3.99Å; F445-P552 HydrophobicContact CE2-CG 4.47Å; G536-P552 WeakPolarHBondContact O-CA 3.43Å; G536-P552 VanDerWaalsContact O-CD 3.28Å; G536-P552 WeakPolarHBondContact O-CD 3.21Å; G536-P552 WeakPolarHBondContact O-CG 3.3Å; V537-P552 HydrophobicContact CG2-CG 4.38Å
553	N	84	Confident	89	Confident	62 Å²	62	51.8 Å²	51.8	33%	0.332	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	14.6	175.5	65.1	-2.4	0	0	0	112.4	F445 T446 L551 S555	F445-N553 PolarHBondContact O-ND2 3.5Å; F445-N553 VanDerWaalsContact O-ND2 3.16Å; T446-N553 HydrophobicContact CG2-CB 4.45Å; L551-N553 VanDerWaalsContact CB-OD1 3.23Å; L551-N553 WeakPolarHBondContact CB-OD1 3.38Å; L551-N553 PolarHBondContact O-N 3.46Å; N553-S555 VanDerWaalsContact CG-OG 3.29Å; N553-S555 PolarHBondContact ND2-OG 2.81Å; N553-S555 PolarHBondContact O-N 3.26Å; N553-S555 VanDerWaalsContact OD1-CB 3.28Å; N553-S555 WeakPolarHBondContact OD1-CB 3.34Å; N553-S555 PolarHBondContact OD1-N 2.8Å; N553-S555 PolarHBondContact OD1-OG 2.93Å
554	D	82.2	Confident	89.3	Confident	129 Å²	129	51.2 Å²	51.2	69%	0.69	26%	0.255	S	S	*	.	S	Bend	trans	60.3	8.6	-174.5	-65	-44.7	0	0	0	115.5	L551	L551-D554 WeakPolarHBondContact O-CA 3.3Å; L551-D554 PolarHBondContact O-N 2.81Å
555	S	87.1	Confident	89.7	Confident	48 Å²	48	46.1 Å²	46.1	34%	0.336	23%	0.228	S	C	.	.			trans	-75.4	143.2	171.7	71	0	0	0	0	111.1	L551 N553	L551-S555 WeakPolarHBondContact CD1-OG 3.12Å; L551-S555 PolarHBondContact N-O 3.29Å; N553-S555 VanDerWaalsContact CG-OG 3.29Å; N553-S555 PolarHBondContact ND2-OG 2.81Å; N553-S555 PolarHBondContact O-N 3.26Å; N553-S555 VanDerWaalsContact OD1-CB 3.28Å; N553-S555 WeakPolarHBondContact OD1-CB 3.34Å; N553-S555 PolarHBondContact OD1-N 2.8Å; N553-S555 PolarHBondContact OD1-OG 2.93Å
556	L	89.1	Confident	89.6	Confident	83 Å²	83	43.7 Å²	43.7	44%	0.435	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.9	176.6	-67	172.3	0	0	0	109.7	V540 L549 R550	V540-L556 HydrophobicContact CG2-CD2 4.29Å; L549-L556 WeakPolarHBondContact O-CA 3.39Å; R550-L556 HydrophobicContact CB-CD2 3.93Å; R550-L556 HydrophobicContact CG-CD2 4.26Å
557	V	90	Very high	89.4	Confident	24 Å²	24	42.3 Å²	42.3	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.3	170.9	-174	0	0	0	0	108.9	R548 L549 L551 Y559	R548-V557 WeakPolarHBondContact CA-O 3.22Å; L549-V557 PolarHBondContact N-O 2.94Å; L549-V557 PolarHBondContact O-N 3.41Å; L551-V557 HydrophobicContact CD1-CG2 3.34Å; L551-V557 HydrophobicContact CG-CG2 3.83Å; V557-Y559 HydrophobicContact CB-CE2 4.11Å; V557-Y559 HydrophobicContact CG1-CD2 4.22Å; V557-Y559 HydrophobicContact CG1-CE1 4.41Å; V557-Y559 HydrophobicContact CG1-CE2 3.46Å; V557-Y559 VanDerWaalsContact CG1-CE2 3.46Å; V557-Y559 WeakPolarHBondContact CG1-OH 3.42Å
558	E	92.4	Very high	88.7	Confident	50 Å²	50	44.3 Å²	44.3	23%	0.234	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.7	179.4	-166.2	168.1	-152.1	0	0	110.2	M547 R548 Y581	M547-E558 WeakPolarHBondContact O-CA 3.32Å; R548-E558 HydrophobicContact CG-CB 4.27Å; R548-E558 HydrophobicContact CG-CG 3.9Å; R548-E558 IonicContact CZ-OE1 2.97Å; R548-E558 IonicContact NE-OE1 2.71Å; R548-E558 PolarHBondContact NE-OE1 2.69Å; R548-E558 IonicContact NH2-OE1 3.45Å; R548-E558 PolarHBondContact NH2-OE1 2.83Å; R548-E558 IonicContact NH2-OE2 3.49Å; E558-Y581 HydrophobicContact CB-CD2 3.86Å; E558-Y581 HydrophobicContact CB-CG 4.49Å; E558-Y581 HydrophobicContact CG-CD2 3.62Å; E558-Y581 HydrophobicContact CG-CE2 3.78Å; E558-Y581 WeakPolarHBondContact O-CD2 3.32Å; E558-Y581 PolarHBondContact O-N 2.83Å
559	Y	93.7	Very high	87.8	Confident	11 Å²	11	44.8 Å²	44.8	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.9	175.5	-66.3	-82.5	0	0	0	110.2	L475 I479 R546 M547 L549 V557 V578 R579 D580	L475-Y559 HydrophobicContact CD1-CE2 4.36Å; L475-Y559 WeakPolarHBondContact CD2-OH 3.16Å; I479-Y559 HydrophobicContact CD1-CD1 4.21Å; I479-Y559 HydrophobicContact CD1-CD2 4.13Å; I479-Y559 HydrophobicContact CD1-CE1 3.8Å; I479-Y559 HydrophobicContact CD1-CE2 3.71Å; I479-Y559 HydrophobicContact CD1-CG 4.37Å; I479-Y559 HydrophobicContact CG1-CD2 4.32Å; I479-Y559 HydrophobicContact CG1-CE2 4.17Å; R546-Y559 WeakPolarHBondContact CA-O 3.3Å; M547-Y559 PolarHBondContact N-O 2.71Å; M547-Y559 PolarHBondContact O-N 3.41Å; L549-Y559 HydrophobicContact CD1-CD2 4.4Å; L549-Y559 HydrophobicContact CD1-CE2 3.99Å; L549-Y559 HydrophobicContact CG-CE2 4.49Å; V557-Y559 HydrophobicContact CB-CE2 4.11Å; V557-Y559 HydrophobicContact CG1-CD2 4.22Å; V557-Y559 HydrophobicContact CG1-CE1 4.41Å; V557-Y559 HydrophobicContact CG1-CE2 3.46Å; V557-Y559 VanDerWaalsContact CG1-CE2 3.46Å; V557-Y559 WeakPolarHBondContact CG1-OH 3.42Å; Y559-V578 HydrophobicContact CD1-CB 4.3Å; Y559-V578 HydrophobicContact CD1-CG2 4.14Å; Y559-R579 WeakPolarHBondContact CA-O 3.38Å; Y559-D580 HydrophobicContact CD1-CB 4.11Å; Y559-D580 HydrophobicContact CE1-CB 3.81Å
560	E	94.7	Very high	87	Confident	58 Å²	58	52.8 Å²	52.8	27%	0.271	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	119.6	166.7	-177.9	178.7	-151.3	0	0	108.6	H545 L562 V578 R579 Y581	H545-E560 CarbonylContact O-C 3.45Å; E560-L562 HydrophobicContact CG-CD2 4.07Å; E560-L562 PolarHBondContact O-N 2.86Å; E560-V578 CarbonylContact O-C 3.57Å; E560-V578 VanDerWaalsContact O-CA 3.29Å; E560-V578 WeakPolarHBondContact O-CA 3.48Å; E560-R579 HydrophobicContact CB-CB 4.28Å; E560-R579 PolarHBondContact N-O 3.16Å; E560-R579 PolarHBondContact O-N 3.33Å; E560-R579 IonicContact OE2-CZ 2.68Å; E560-R579 IonicContact OE2-NH1 3.89Å; E560-R579 PolarHBondContact OE2-NH1 3.12Å; E560-Y581 HydrophobicContact CB-CD2 4.42Å; E560-Y581 HydrophobicContact CB-CE2 3.7Å
561	I	92.8	Very high	86.7	Confident	9 Å²	9	52.7 Å²	52.7	5%	0.046	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	104.5	174.2	-55.9	173.7	0	0	0	107.5	H545 M547 I576	H545-I561 PolarHBondContact O-N 3.37Å; M547-I561 HydrophobicContact CB-CD1 4.25Å; M547-I561 HydrophobicContact CB-CG1 4.41Å; M547-I561 HydrophobicContact CE-CD1 4.42Å; I561-I576 HydrophobicContact CG1-CD1 4.33Å; I561-I576 HydrophobicContact CG2-CD1 4.11Å; I561-I576 HydrophobicContact CG2-CG1 4.19Å
562	L	93.1	Very high	86.7	Confident	34 Å²	34	55.1 Å²	55.1	18%	0.178	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-51	-178.7	-70.1	176.3	0	0	0	110.9	E560 I577 R579 I586 Y634	E560-L562 HydrophobicContact CG-CD2 4.07Å; E560-L562 PolarHBondContact O-N 2.86Å; L562-I577 HydrophobicContact CB-CB 4.28Å; L562-I577 HydrophobicContact CB-CG2 4.08Å; L562-I577 WeakPolarHBondContact CB-O 3.38Å; L562-I577 HydrophobicContact CD1-CG2 3.95Å; L562-I577 PolarHBondContact N-O 3.15Å; L562-R579 HydrophobicContact CD1-CB 3.92Å; L562-R579 HydrophobicContact CG-CB 4.3Å; L562-I586 HydrophobicContact CD1-CD1 4.33Å; L562-I586 HydrophobicContact CD1-CG1 4.26Å; L562-I586 HydrophobicContact CD1-CG2 4.13Å; L562-Y634 HydrophobicContact CB-CE2 3.98Å; L562-Y634 WeakPolarHBondContact CB-OH 3.36Å; L562-Y634 HydrophobicContact CD1-CD1 4.17Å; L562-Y634 HydrophobicContact CD1-CD2 4.29Å; L562-Y634 HydrophobicContact CD1-CE1 3.83Å; L562-Y634 HydrophobicContact CD1-CE2 3.96Å; L562-Y634 HydrophobicContact CD1-CG 4.41Å; L562-Y634 HydrophobicContact CD2-CE1 4.21Å; L562-Y634 HydrophobicContact CG-CE1 4.44Å
563	N	91.8	Very high	86.9	Confident	27 Å²	27	56.4 Å²	56.4	14%	0.144	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	139.6	178.9	-69.2	78.4	0	0	0	110.3	F565 I577 Y634	N563-F565 HydrophobicContact CB-CE1 4.39Å; N563-F565 HydrophobicContact CB-CE2 4.29Å; N563-F565 HydrophobicContact CB-CZ 3.81Å; N563-I577 HydrophobicContact CB-CB 4.3Å; N563-I577 HydrophobicContact CB-CD1 4.1Å; N563-I577 HydrophobicContact CB-CG1 4.34Å; N563-I577 PolarHBondContact N-O 2.94Å; N563-I577 PolarHBondContact O-N 3.33Å; N563-Y634 WeakPolarHBondContact OD1-CE2 3.37Å; N563-Y634 PolarHBondContact OD1-OH 3.4Å
564	L	89.3	Confident	87.3	Confident	51 Å²	51	53.5 Å²	53.5	27%	0.267	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127	177	-172.8	72.7	0	0	0	109.8	N482 P566 M574 I576	N482-L564 WeakPolarHBondContact OD1-CD2 3.19Å; L564-P566 WeakPolarHBondContact O-CD 3.16Å; L564-M574 HydrophobicContact CD1-CE 3.4Å; L564-M574 HydrophobicContact CG-CE 4.3Å; L564-I576 HydrophobicContact CD1-CB 4.11Å; L564-I576 HydrophobicContact CD1-CD1 3.83Å; L564-I576 HydrophobicContact CD1-CG1 3.81Å
565	F	90.7	Very high	87.9	Confident	22 Å²	22	47.4 Å²	47.4	10%	0.096	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	89.9	172.7	-47.9	-65.5	0	0	0	107.5	N563 M574 G575 I577 F588 F637 Y641 V659	N563-F565 HydrophobicContact CB-CE1 4.39Å; N563-F565 HydrophobicContact CB-CE2 4.29Å; N563-F565 HydrophobicContact CB-CZ 3.81Å; F565-M574 WeakPolarHBondContact O-CA 3.44Å; F565-M574 WeakPolarHBondContact O-CG 3.18Å; F565-G575 WeakPolarHBondContact CA-O 3.29Å; F565-G575 PolarHBondContact N-O 3.47Å; F565-G575 PolarHBondContact O-N 3.15Å; F565-I577 HydrophobicContact CE2-CD1 4.02Å; F565-I577 HydrophobicContact CE2-CG1 4.05Å; F565-I577 HydrophobicContact CZ-CD1 4.23Å; F565-F588 AromaticContact CD2-CE2 3.99Å; F565-F588 HydrophobicContact CD2-CE2 3.99Å; F565-F588 AromaticContact CE2-CE2 3.97Å; F565-F588 HydrophobicContact CE2-CE2 3.97Å; F565-F637 HydrophobicContact CE1-CZ 4.3Å; F565-F637 HydrophobicContact CE2-CZ 4.36Å; F565-F637 AromaticContact CZ-CE1 3.88Å; F565-F637 HydrophobicContact CZ-CE1 3.88Å; F565-F637 AromaticContact CZ-CZ 3.57Å; F565-F637 HydrophobicContact CZ-CZ 3.57Å; F565-Y641 HydrophobicContact CD1-CE2 4.5Å; F565-Y641 HydrophobicContact CE1-CD2 4.43Å; F565-Y641 AromaticContact CE1-CE2 3.73Å; F565-Y641 HydrophobicContact CE1-CE2 3.73Å; F565-Y641 AromaticContact CE1-CZ 3.75Å; F565-V659 HydrophobicContact CD1-CG2 3.77Å; F565-V659 HydrophobicContact CD2-CG1 4.47Å; F565-V659 HydrophobicContact CE1-CG2 3.54Å; F565-V659 HydrophobicContact CG-CG1 4.44Å; F565-V659 HydrophobicContact CG-CG2 4.4Å; F565-V659 HydrophobicContact CZ-CG2 3.98Å
566	P	84.4	Confident	88.2	Confident	76 Å²	76	45.1 Å²	45.1	49%	0.494	23%	0.234	S	C	.	.			trans	-61.2	152.6	-173.5	26.7	-34.8	0	0	0	111	L564 S568	L564-P566 WeakPolarHBondContact O-CD 3.16Å; P566-S568 PolarHBondContact O-N 3.34Å
567	F	84.4	Confident	88.6	Confident	84 Å²	84	41.2 Å²	41.2	37%	0.368	21%	0.213	S	C	.	.			trans	-55.9	127.7	173.9	-179.8	-94.3	0	0	0	110.5	R573 M574	F567-R573 WeakPolarHBondContact CA-O 3.25Å; F567-M574 HydrophobicContact CB-CB 4.06Å
568	S	77	Confident	88.8	Confident	41 Å²	41	40.1 Å²	40.1	29%	0.287	21%	0.207	S	C	.	.			trans	-118.5	149.7	168.5	99	0	0	0	0	110.6	P566 E570 S571 K572	P566-S568 PolarHBondContact O-N 3.34Å; S568-E570 PolarHBondContact O-N 2.68Å; S568-E570 PolarHBondContact OG-N 3.29Å; S568-S571 PolarHBondContact N-OG 3.2Å; S568-S571 PolarHBondContact O-N 2.88Å; S568-S571 PolarHBondContact O-OG 3.47Å; S568-S571 WeakPolarHBondContact OG-CB 3.42Å; S568-S571 PolarHBondContact OG-N 2.88Å; S568-S571 PolarHBondContact OG-OG 3.32Å; S568-S571 VanDerWaalsContact OG-OG 3.1Å; S568-K572 WeakPolarHBondContact O-CA 3.36Å; S568-K572 PolarHBondContact O-N 3.08Å
569	S	72	Confident	88.9	Confident	64 Å²	64	39.8 Å²	39.8	45%	0.448	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.2	176.4	-65.8	0	0	0	0	113.5	K703	S569-K703 VanDerWaalsContact OG-CE 3.24Å; S569-K703 WeakPolarHBondContact OG-CE 3.38Å; S569-K703 PolarHBondContact OG-NZ 3.4Å
570	E	74.9	Confident	88.9	Confident	169 Å²	169	40.2 Å²	40.2	79%	0.79	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-44.9	-178.6	-64.7	172	176.9	0	0	110.9	S568	S568-E570 PolarHBondContact O-N 2.68Å; S568-E570 PolarHBondContact OG-N 3.29Å
571	S	83.6	Confident	88.6	Confident	25 Å²	25	41 Å²	41	18%	0.175	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-26.1	178.6	70.6	0	0	0	0	112.8	S568 R573	S568-S571 PolarHBondContact N-OG 3.2Å; S568-S571 PolarHBondContact O-N 2.88Å; S568-S571 PolarHBondContact O-OG 3.47Å; S568-S571 WeakPolarHBondContact OG-CB 3.42Å; S568-S571 PolarHBondContact OG-N 2.88Å; S568-S571 PolarHBondContact OG-OG 3.32Å; S568-S571 VanDerWaalsContact OG-OG 3.1Å; S571-R573 WeakPolarHBondContact O-CG 3.46Å; S571-R573 PolarHBondContact O-N 3.09Å; S571-R573 VanDerWaalsContact O-N 3.14Å; S571-R573 PolarHBondContact O-NH1 3.16Å; S571-R573 PolarHBondContact OG-N 3.16Å; S571-R573 PolarHBondContact OG-O 3.46Å
572	K	87.9	Confident	88.3	Confident	63 Å²	63	45.2 Å²	45.2	27%	0.274	24%	0.238	S	C	.	.			trans	52.6	26	-173.2	-54.6	-177.5	-173.2	174.4	0	113.8	S568 G592 A593 V596 E705	S568-K572 WeakPolarHBondContact O-CA 3.36Å; S568-K572 PolarHBondContact O-N 3.08Å; K572-G592 VanDerWaalsContact O-CA 3.31Å; K572-G592 WeakPolarHBondContact O-CA 3.34Å; K572-A593 HydrophobicContact CB-CB 4.21Å; K572-A593 PolarHBondContact O-N 2.85Å; K572-V596 HydrophobicContact CB-CG2 4.13Å; K572-V596 HydrophobicContact CD-CG2 4.01Å; K572-E705 IonicContact NZ-OE1 3Å; K572-E705 PolarHBondContact NZ-OE1 3.43Å
573	R	90.9	Very high	87.9	Confident	55 Å²	55	46.1 Å²	46.1	21%	0.208	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	158.1	-177.8	67.8	-170.1	178.6	-102.7	11.8	111.5	F567 S571 K591 V596 E663	F567-R573 WeakPolarHBondContact CA-O 3.25Å; S571-R573 WeakPolarHBondContact O-CG 3.46Å; S571-R573 PolarHBondContact O-N 3.09Å; S571-R573 VanDerWaalsContact O-N 3.14Å; S571-R573 PolarHBondContact O-NH1 3.16Å; S571-R573 PolarHBondContact OG-N 3.16Å; S571-R573 PolarHBondContact OG-O 3.46Å; R573-K591 CarbonylContact C-O 3.54Å; R573-K591 VanDerWaalsContact CA-O 3.25Å; R573-K591 WeakPolarHBondContact CA-O 3.23Å; R573-K591 WeakPolarHBondContact CB-O 3.4Å; R573-V596 VanDerWaalsContact NH1-CG1 3.35Å; R573-E663 WeakPolarHBondContact CD-OE1 3.34Å; R573-E663 IonicContact CZ-OE1 3.81Å; R573-E663 IonicContact CZ-OE2 3.33Å; R573-E663 VanDerWaalsContact CZ-OE2 3.31Å; R573-E663 VanDerWaalsContact NE-CD 3.25Å; R573-E663 IonicContact NE-OE1 3.81Å; R573-E663 PolarHBondContact NE-OE1 2.85Å; R573-E663 IonicContact NE-OE2 2.91Å; R573-E663 PolarHBondContact NE-OE2 2.78Å; R573-E663 IonicContact NH2-OE1 3.57Å; R573-E663 IonicContact NH2-OE2 2.82Å; R573-E663 PolarHBondContact NH2-OE2 2.92Å
574	M	92	Very high	87.8	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.2	175.4	170.7	171.8	-163.8	0	0	109	H481 N482 L564 F565 F567 V590 K591	H481-M574 WeakPolarHBondContact O-CE 3.21Å; N482-M574 HydrophobicContact CB-CE 4.14Å; L564-M574 HydrophobicContact CD1-CE 3.4Å; L564-M574 HydrophobicContact CG-CE 4.3Å; F565-M574 WeakPolarHBondContact O-CA 3.44Å; F565-M574 WeakPolarHBondContact O-CG 3.18Å; F567-M574 HydrophobicContact CB-CB 4.06Å; M574-V590 CarbonylContact O-C 3.58Å; M574-V590 VanDerWaalsContact O-CA 3.31Å; M574-V590 WeakPolarHBondContact O-CA 3.45Å; M574-V590 WeakPolarHBondContact O-CG1 3.42Å; M574-K591 HydrophobicContact CB-CG 4Å; M574-K591 PolarHBondContact N-O 2.7Å; M574-K591 PolarHBondContact O-N 2.96Å; M574-K591 WeakPolarHBondContact SD-CE 3.44Å
575	G	93.5	Very high	87.9	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.1	172.2	0	0	0	0	0	111.7	F565 Y589	F565-G575 WeakPolarHBondContact CA-O 3.29Å; F565-G575 PolarHBondContact N-O 3.47Å; F565-G575 PolarHBondContact O-N 3.15Å; G575-Y589 CarbonylContact C-O 3.57Å; G575-Y589 VanDerWaalsContact CA-O 3.29Å; G575-Y589 WeakPolarHBondContact CA-O 3.34Å
576	I	94.8	Very high	88	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	133.6	171.6	-166.7	175.1	0	0	0	109.4	I479 C480 I561 L564 V578 F588 Y589	I479-I576 HydrophobicContact CG2-CD1 4.47Å; I479-I576 HydrophobicContact CG2-CG2 4.15Å; C480-I576 HydrophobicContact CB-CG2 4.04Å; I561-I576 HydrophobicContact CG1-CD1 4.33Å; I561-I576 HydrophobicContact CG2-CD1 4.11Å; I561-I576 HydrophobicContact CG2-CG1 4.19Å; L564-I576 HydrophobicContact CD1-CB 4.11Å; L564-I576 HydrophobicContact CD1-CD1 3.83Å; L564-I576 HydrophobicContact CD1-CG1 3.81Å; I576-V578 HydrophobicContact CD1-CG1 3.79Å; I576-V578 HydrophobicContact CG1-CG1 3.81Å; I576-V578 HydrophobicContact CG2-CG1 4.43Å; I576-F588 WeakPolarHBondContact O-CA 3.4Å; I576-Y589 HydrophobicContact CG2-CD2 4.45Å; I576-Y589 PolarHBondContact N-O 3.06Å; I576-Y589 PolarHBondContact O-N 2.78Å
577	I	96.1	Very high	88.5	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.6	170.3	-54.8	177.8	0	0	0	106.9	L562 N563 F565 I586 F588 Y634 F637 L662	L562-I577 HydrophobicContact CB-CB 4.28Å; L562-I577 HydrophobicContact CB-CG2 4.08Å; L562-I577 WeakPolarHBondContact CB-O 3.38Å; L562-I577 HydrophobicContact CD1-CG2 3.95Å; L562-I577 PolarHBondContact N-O 3.15Å; N563-I577 HydrophobicContact CB-CB 4.3Å; N563-I577 HydrophobicContact CB-CD1 4.1Å; N563-I577 HydrophobicContact CB-CG1 4.34Å; N563-I577 PolarHBondContact N-O 2.94Å; N563-I577 PolarHBondContact O-N 3.33Å; F565-I577 HydrophobicContact CE2-CD1 4.02Å; F565-I577 HydrophobicContact CE2-CG1 4.05Å; F565-I577 HydrophobicContact CZ-CD1 4.23Å; I577-I586 HydrophobicContact CG2-CG2 3.66Å; I577-F588 HydrophobicContact CD1-CD2 4.49Å; I577-F588 HydrophobicContact CG1-CB 4.44Å; I577-F588 HydrophobicContact CG1-CD2 3.61Å; I577-F588 HydrophobicContact CG1-CE2 4.27Å; I577-F588 HydrophobicContact CG1-CG 4.37Å; I577-Y634 HydrophobicContact CD1-CD2 4.27Å; I577-Y634 HydrophobicContact CD1-CE2 4.16Å; I577-Y634 HydrophobicContact CG2-CD2 3.94Å; I577-Y634 HydrophobicContact CG2-CE2 3.98Å; I577-F637 HydrophobicContact CD1-CD1 3.91Å; I577-F637 HydrophobicContact CD1-CE1 3.61Å; I577-F637 HydrophobicContact CD1-CZ 4.31Å; I577-L662 HydrophobicContact CD1-CD1 3.65Å; I577-L662 HydrophobicContact CG1-CD1 4.49Å
578	V	95.3	Very high	89.1	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148	177.9	-62.4	0	0	0	0	111.2	I479 Y559 E560 I576 I586 I587 Y589	I479-V578 HydrophobicContact CG2-CB 4.36Å; I479-V578 HydrophobicContact CG2-CG1 3.6Å; I479-V578 HydrophobicContact CG2-CG2 3.95Å; Y559-V578 HydrophobicContact CD1-CB 4.3Å; Y559-V578 HydrophobicContact CD1-CG2 4.14Å; E560-V578 CarbonylContact O-C 3.57Å; E560-V578 VanDerWaalsContact O-CA 3.29Å; E560-V578 WeakPolarHBondContact O-CA 3.48Å; I576-V578 HydrophobicContact CD1-CG1 3.79Å; I576-V578 HydrophobicContact CG1-CG1 3.81Å; I576-V578 HydrophobicContact CG2-CG1 4.43Å; V578-I586 WeakPolarHBondContact O-CA 3.33Å; V578-I587 PolarHBondContact N-O 3.46Å; V578-I587 PolarHBondContact O-N 3.32Å; V578-Y589 HydrophobicContact CG2-CD2 3.93Å; V578-Y589 HydrophobicContact CG2-CE2 3.75Å
579	R	95	Very high	90	Very high	43 Å²	43	48 Å²	48	16%	0.162	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.2	166.8	-178.5	-172.5	-73.8	147.9	-10.9	109	Y559 E560 L562 R585 I586 E631	Y559-R579 WeakPolarHBondContact CA-O 3.38Å; E560-R579 HydrophobicContact CB-CB 4.28Å; E560-R579 PolarHBondContact N-O 3.16Å; E560-R579 PolarHBondContact O-N 3.33Å; E560-R579 IonicContact OE2-CZ 2.68Å; E560-R579 IonicContact OE2-NH1 3.89Å; E560-R579 PolarHBondContact OE2-NH1 3.12Å; L562-R579 HydrophobicContact CD1-CB 3.92Å; L562-R579 HydrophobicContact CG-CB 4.3Å; R579-R585 WeakPolarHBondContact CA-O 3.33Å; R579-I586 HydrophobicContact CB-CG1 4.17Å; R579-I586 HydrophobicContact CG-CG1 4.15Å; R579-E631 IonicContact CZ-OE2 3.85Å; R579-E631 IonicContact NE-OE2 3.68Å; R579-E631 IonicContact NH2-OE1 2.69Å; R579-E631 PolarHBondContact NH2-OE1 3.34Å; R579-E631 IonicContact NH2-OE2 2.83Å; R579-E631 PolarHBondContact NH2-OE2 2.98Å
580	D	91.9	Very high	91.1	Very high	19 Å²	19	45 Å²	45	10%	0.102	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127	171.8	177.8	-0.7	0	0	0	109.8	Y559 S582 S583 K584 R585	Y559-D580 HydrophobicContact CD1-CB 4.11Å; Y559-D580 HydrophobicContact CE1-CB 3.81Å; D580-S582 VanDerWaalsContact C-N 3.25Å; D580-S582 VanDerWaalsContact CG-OG 3.23Å; D580-S582 PolarHBondContact O-N 2.83Å; D580-S582 WeakPolarHBondContact OD1-CB 3.34Å; D580-S582 PolarHBondContact OD1-N 3.38Å; D580-S582 PolarHBondContact OD1-OG 2.95Å; D580-S582 PolarHBondContact OD2-OG 3.45Å; D580-S582 VanDerWaalsContact OD2-OG 3.04Å; D580-S583 WeakPolarHBondContact CB-OG 3.28Å; D580-S583 VanDerWaalsContact CG-OG 3.25Å; D580-S583 VanDerWaalsContact OD2-CB 3.27Å; D580-S583 WeakPolarHBondContact OD2-CB 3.45Å; D580-S583 PolarHBondContact OD2-N 3.22Å; D580-S583 PolarHBondContact OD2-OG 3.24Å; D580-K584 WeakPolarHBondContact O-CA 3.44Å; D580-K584 PolarHBondContact O-N 3.13Å; D580-R585 PolarHBondContact N-O 2.95Å; D580-R585 VanDerWaalsContact N-O 3.09Å
581	Y	88.8	Confident	92	Very high	74 Å²	74	37.4 Å²	37.4	29%	0.29	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.3	178.5	-87.1	-83.4	0	0	0	112.8	E558 E560 K584	E558-Y581 HydrophobicContact CB-CD2 3.86Å; E558-Y581 HydrophobicContact CB-CG 4.49Å; E558-Y581 HydrophobicContact CG-CD2 3.62Å; E558-Y581 HydrophobicContact CG-CE2 3.78Å; E558-Y581 WeakPolarHBondContact O-CD2 3.32Å; E558-Y581 PolarHBondContact O-N 2.83Å; E560-Y581 HydrophobicContact CB-CD2 4.42Å; E560-Y581 HydrophobicContact CB-CE2 3.7Å; Y581-K584 WeakPolarHBondContact O-CE 3.43Å; Y581-K584 PolarHBondContact O-NZ 3.4Å
582	S	86.4	Confident	92.5	Very high	99 Å²	99	36.2 Å²	36.2	69%	0.692	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-57.4	-175.3	68.5	0	0	0	0	112.2	D580	D580-S582 VanDerWaalsContact C-N 3.25Å; D580-S582 VanDerWaalsContact CG-OG 3.23Å; D580-S582 PolarHBondContact O-N 2.83Å; D580-S582 WeakPolarHBondContact OD1-CB 3.34Å; D580-S582 PolarHBondContact OD1-N 3.38Å; D580-S582 PolarHBondContact OD1-OG 2.95Å; D580-S582 PolarHBondContact OD2-OG 3.45Å; D580-S582 VanDerWaalsContact OD2-OG 3.04Å
583	S	86.3	Confident	92.6	Very high	53 Å²	53	33.6 Å²	33.6	37%	0.371	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.3	-177.8	69.8	0	0	0	0	114.3	D580 R585	D580-S583 WeakPolarHBondContact CB-OG 3.28Å; D580-S583 VanDerWaalsContact CG-OG 3.25Å; D580-S583 VanDerWaalsContact OD2-CB 3.27Å; D580-S583 WeakPolarHBondContact OD2-CB 3.45Å; D580-S583 PolarHBondContact OD2-N 3.22Å; D580-S583 PolarHBondContact OD2-OG 3.24Å; S583-R585 PolarHBondContact O-N 2.88Å; S583-R585 PolarHBondContact OG-N 2.95Å
584	K	88.1	Confident	92.5	Very high	132 Å²	132	33.1 Å²	33.1	57%	0.574	16%	0.162	S	C	*	.			trans	56.1	13.4	-172.8	-61.1	-62.2	-176.5	-169.6	0	114.8	D580 Y581	D580-K584 WeakPolarHBondContact O-CA 3.44Å; D580-K584 PolarHBondContact O-N 3.13Å; Y581-K584 WeakPolarHBondContact O-CE 3.43Å; Y581-K584 PolarHBondContact O-NZ 3.4Å
585	R	91.6	Very high	92.2	Very high	166 Å²	166	36.8 Å²	36.8	63%	0.626	19%	0.185	S	C	*	.			trans	-75.4	137.3	177.3	-66.3	179.3	179.6	-175.6	0.8	110.2	R579 D580 S583	R579-R585 WeakPolarHBondContact CA-O 3.33Å; D580-R585 PolarHBondContact N-O 2.95Å; D580-R585 VanDerWaalsContact N-O 3.09Å; S583-R585 PolarHBondContact O-N 2.88Å; S583-R585 PolarHBondContact OG-N 2.95Å
586	I	94.1	Very high	91.9	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.4	171.1	-61.5	169.7	0	0	0	108.2	L562 I577 V578 R579 L629 E631 Y634	L562-I586 HydrophobicContact CD1-CD1 4.33Å; L562-I586 HydrophobicContact CD1-CG1 4.26Å; L562-I586 HydrophobicContact CD1-CG2 4.13Å; I577-I586 HydrophobicContact CG2-CG2 3.66Å; V578-I586 WeakPolarHBondContact O-CA 3.33Å; R579-I586 HydrophobicContact CB-CG1 4.17Å; R579-I586 HydrophobicContact CG-CG1 4.15Å; I586-L629 HydrophobicContact CB-CB 4.36Å; I586-L629 HydrophobicContact CG2-CB 4.03Å; I586-L629 HydrophobicContact CG2-CD1 4.3Å; I586-L629 PolarHBondContact O-N 3.46Å; I586-E631 WeakPolarHBondContact CD1-OE2 3.41Å; I586-Y634 HydrophobicContact CD1-CD1 4.07Å; I586-Y634 HydrophobicContact CD1-CG 4.07Å
587	I	95	Very high	91.8	Very high	29 Å²	29	38.2 Å²	38.2	15%	0.149	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.4	-179.4	-52.2	172.9	0	0	0	108.5	V578 Y589	V578-I587 PolarHBondContact N-O 3.46Å; V578-I587 PolarHBondContact O-N 3.32Å; I587-Y589 HydrophobicContact CB-CD2 4.44Å; I587-Y589 HydrophobicContact CB-CE2 3.89Å; I587-Y589 WeakPolarHBondContact CD1-OH 3.33Å; I587-Y589 HydrophobicContact CG2-CD1 4.13Å; I587-Y589 HydrophobicContact CG2-CD2 4.05Å; I587-Y589 HydrophobicContact CG2-CE1 3.72Å; I587-Y589 HydrophobicContact CG2-CE2 3.66Å; I587-Y589 HydrophobicContact CG2-CG 4.28Å; I587-Y589 VanDerWaalsContact CG2-CZ 3.48Å
588	F	95.9	Very high	91.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.3	168.4	177.7	-132.1	0	0	0	108.7	F565 I576 I577 V590 S626 R627 L629 L662 E663 L666	F565-F588 AromaticContact CD2-CE2 3.99Å; F565-F588 HydrophobicContact CD2-CE2 3.99Å; F565-F588 AromaticContact CE2-CE2 3.97Å; F565-F588 HydrophobicContact CE2-CE2 3.97Å; I576-F588 WeakPolarHBondContact O-CA 3.4Å; I577-F588 HydrophobicContact CD1-CD2 4.49Å; I577-F588 HydrophobicContact CG1-CB 4.44Å; I577-F588 HydrophobicContact CG1-CD2 3.61Å; I577-F588 HydrophobicContact CG1-CE2 4.27Å; I577-F588 HydrophobicContact CG1-CG 4.37Å; F588-V590 HydrophobicContact CD1-CG2 3.81Å; F588-V590 HydrophobicContact CD2-CG2 4.28Å; F588-V590 HydrophobicContact CE1-CG2 3.2Å; F588-V590 HydrophobicContact CE2-CG2 3.74Å; F588-V590 HydrophobicContact CG-CG2 4.32Å; F588-V590 HydrophobicContact CZ-CG2 3.17Å; F588-S626 CarbonylContact O-C 3.45Å; F588-S626 WeakPolarHBondContact O-CA 3.48Å; F588-R627 PolarHBondContact N-O 3.42Å; F588-R627 PolarHBondContact O-N 2.66Å; F588-L629 HydrophobicContact CB-CD1 4.06Å; F588-L629 HydrophobicContact CB-CG 4.39Å; F588-L662 HydrophobicContact CD1-CB 3.9Å; F588-L662 HydrophobicContact CE1-CB 3.62Å; F588-L662 HydrophobicContact CZ-CB 4.17Å; F588-E663 HydrophobicContact CE1-CG 4.13Å; F588-E663 HydrophobicContact CZ-CG 4.14Å; F588-L666 HydrophobicContact CD1-CD2 4.01Å; F588-L666 HydrophobicContact CE1-CD2 4.15Å
589	Y	96.6	Very high	91.1	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.035	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	135.8	173.5	-66.8	-71.8	0	0	0	110	A476 I479 G575 I576 V578 I587 L669	A476-Y589 HydrophobicContact CB-CD1 3.5Å; A476-Y589 VanDerWaalsContact CB-CD1 3.5Å; A476-Y589 HydrophobicContact CB-CE1 3.47Å; A476-Y589 VanDerWaalsContact CB-CE1 3.47Å; A476-Y589 HydrophobicContact CB-CG 4.4Å; I479-Y589 HydrophobicContact CB-CD2 4.39Å; I479-Y589 HydrophobicContact CB-CE2 4.44Å; I479-Y589 HydrophobicContact CD1-CE2 3.89Å; I479-Y589 HydrophobicContact CG2-CD2 3.94Å; I479-Y589 HydrophobicContact CG2-CE2 4.19Å; G575-Y589 CarbonylContact C-O 3.57Å; G575-Y589 VanDerWaalsContact CA-O 3.29Å; G575-Y589 WeakPolarHBondContact CA-O 3.34Å; I576-Y589 HydrophobicContact CG2-CD2 4.45Å; I576-Y589 PolarHBondContact N-O 3.06Å; I576-Y589 PolarHBondContact O-N 2.78Å; V578-Y589 HydrophobicContact CG2-CD2 3.93Å; V578-Y589 HydrophobicContact CG2-CE2 3.75Å; I587-Y589 HydrophobicContact CB-CD2 4.44Å; I587-Y589 HydrophobicContact CB-CE2 3.89Å; I587-Y589 WeakPolarHBondContact CD1-OH 3.33Å; I587-Y589 HydrophobicContact CG2-CD1 4.13Å; I587-Y589 HydrophobicContact CG2-CD2 4.05Å; I587-Y589 HydrophobicContact CG2-CE1 3.72Å; I587-Y589 HydrophobicContact CG2-CE2 3.66Å; I587-Y589 HydrophobicContact CG2-CG 4.28Å; I587-Y589 VanDerWaalsContact CG2-CZ 3.48Å; Y589-L669 HydrophobicContact CD1-CD1 4.29Å; Y589-L669 HydrophobicContact CE1-CD1 4.05Å
590	V	95.2	Very high	90.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.1	176.6	-174.3	0	0	0	0	109	M574 F588 M597 V624 A625 L666	M574-V590 CarbonylContact O-C 3.58Å; M574-V590 VanDerWaalsContact O-CA 3.31Å; M574-V590 WeakPolarHBondContact O-CA 3.45Å; M574-V590 WeakPolarHBondContact O-CG1 3.42Å; F588-V590 HydrophobicContact CD1-CG2 3.81Å; F588-V590 HydrophobicContact CD2-CG2 4.28Å; F588-V590 HydrophobicContact CE1-CG2 3.2Å; F588-V590 HydrophobicContact CE2-CG2 3.74Å; F588-V590 HydrophobicContact CG-CG2 4.32Å; F588-V590 HydrophobicContact CZ-CG2 3.17Å; V590-M597 HydrophobicContact CB-CE 4.16Å; V590-M597 HydrophobicContact CG1-CE 3.78Å; V590-M597 HydrophobicContact CG1-SD 3.75Å; V590-V624 WeakPolarHBondContact O-CA 3.46Å; V590-A625 PolarHBondContact N-O 3.08Å; V590-A625 PolarHBondContact O-N 2.97Å; V590-L666 HydrophobicContact CB-CD1 4Å; V590-L666 HydrophobicContact CG1-CD1 4.39Å; V590-L666 HydrophobicContact CG2-CD1 3.83Å
591	K	94	Very high	90.9	Very high	11 Å²	11	44 Å²	44	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.4	166.9	71	179.9	179.2	-174.2	0	110.4	C480 E525 L528 R573 M574 V623 V624	C480-K591 HydrophobicContact CB-CD 4.47Å; C480-K591 WeakPolarHBondContact O-CD 3.3Å; C480-K591 WeakPolarHBondContact O-CE 3.37Å; C480-K591 PolarHBondContact O-NZ 3.2Å; E525-K591 VanDerWaalsContact OE1-CE 3.31Å; E525-K591 WeakPolarHBondContact OE1-CE 3.44Å; E525-K591 IonicContact OE1-NZ 3.48Å; E525-K591 PolarHBondContact OE1-NZ 2.98Å; L528-K591 HydrophobicContact CD1-CD 4.41Å; R573-K591 CarbonylContact C-O 3.54Å; R573-K591 VanDerWaalsContact CA-O 3.25Å; R573-K591 WeakPolarHBondContact CA-O 3.23Å; R573-K591 WeakPolarHBondContact CB-O 3.4Å; M574-K591 HydrophobicContact CB-CG 4Å; M574-K591 PolarHBondContact N-O 2.7Å; M574-K591 PolarHBondContact O-N 2.96Å; M574-K591 WeakPolarHBondContact SD-CE 3.44Å; K591-V623 CarbonylContact C-O 3.54Å; K591-V623 VanDerWaalsContact CA-O 3.25Å; K591-V623 WeakPolarHBondContact CA-O 3.49Å; K591-V624 HydrophobicContact CB-CG2 4.17Å
592	G	92.6	Very high	90.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	174.5	179.1	0	0	0	0	0	113.8	K572 L622 V623	K572-G592 VanDerWaalsContact O-CA 3.31Å; K572-G592 WeakPolarHBondContact O-CA 3.34Å; G592-L622 CarbonylContact O-C 3.46Å; G592-L622 WeakPolarHBondContact O-CA 3.42Å; G592-V623 PolarHBondContact N-O 3.46Å; G592-V623 PolarHBondContact O-N 2.96Å
593	A	89.9	Confident	90.9	Very high	8 Å²	8	46.6 Å²	46.6	7%	0.066	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	142	175.6	0	0	0	0	0	111.1	K572 T595 V596 M597	K572-A593 HydrophobicContact CB-CB 4.21Å; K572-A593 PolarHBondContact O-N 2.85Å; A593-T595 VanDerWaalsContact C-N 3.26Å; A593-T595 PolarHBondContact O-N 3.32Å; A593-V596 PolarHBondContact O-N 3.06Å; A593-V596 VanDerWaalsContact O-N 3.1Å; A593-M597 WeakPolarHBondContact O-CB 3.3Å; A593-M597 VanDerWaalsContact O-CG 3.3Å; A593-M597 WeakPolarHBondContact O-CG 3.42Å; A593-M597 PolarHBondContact O-N 3.41Å
594	D	88.7	Confident	90.9	Very high	44 Å²	44	45.7 Å²	45.7	24%	0.235	23%	0.233	C	C	.	.	H	α-helix	trans	-53.4	-40.7	179.4	56.3	-61.6	0	0	0	112.9	V596 M597 S598 A611 T621 V623	D594-V596 PolarHBondContact O-N 3.48Å; D594-M597 PolarHBondContact O-N 3.06Å; D594-S598 WeakPolarHBondContact O-CB 3.33Å; D594-S598 PolarHBondContact O-N 3.34Å; D594-S598 PolarHBondContact O-OG 3.19Å; D594-A611 HydrophobicContact CB-CB 3.92Å; D594-T621 PolarHBondContact OD1-OG1 3.5Å; D594-V623 HydrophobicContact CB-CG2 4.02Å
595	T	85.7	Confident	90.9	Very high	79 Å²	79	45.2 Å²	45.2	49%	0.485	24%	0.237	S	C	.	.	H	α-helix	trans	-60.6	-27.1	179.3	56.7	0	0	0	0	115	A593	A593-T595 VanDerWaalsContact C-N 3.26Å; A593-T595 PolarHBondContact O-N 3.32Å
596	V	89.1	Confident	90.8	Very high	31 Å²	31	40.1 Å²	40.1	19%	0.188	22%	0.218	C	C	.	.	H	α-helix	trans	-101.1	-36.4	178.2	178.6	0	0	0	0	110.5	K572 R573 A593 D594 S598 S599 L600	K572-V596 HydrophobicContact CB-CG2 4.13Å; K572-V596 HydrophobicContact CD-CG2 4.01Å; R573-V596 VanDerWaalsContact NH1-CG1 3.35Å; A593-V596 PolarHBondContact O-N 3.06Å; A593-V596 VanDerWaalsContact O-N 3.1Å; D594-V596 PolarHBondContact O-N 3.48Å; V596-S598 VanDerWaalsContact C-N 3.33Å; V596-S598 PolarHBondContact O-N 3.03Å; V596-S599 PolarHBondContact O-OG 3.46Å; V596-S599 VanDerWaalsContact O-OG 3.13Å; V596-L600 HydrophobicContact CG1-CD1 4.25Å
597	M	91.7	Very high	90.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.5	-30	-178.2	-70.6	-64.8	-67.8	0	0	112.5	V590 A593 D594 S599 L600 V601 V623 A625 L666	V590-M597 HydrophobicContact CB-CE 4.16Å; V590-M597 HydrophobicContact CG1-CE 3.78Å; V590-M597 HydrophobicContact CG1-SD 3.75Å; A593-M597 WeakPolarHBondContact O-CB 3.3Å; A593-M597 VanDerWaalsContact O-CG 3.3Å; A593-M597 WeakPolarHBondContact O-CG 3.42Å; A593-M597 PolarHBondContact O-N 3.41Å; D594-M597 PolarHBondContact O-N 3.06Å; M597-S599 PolarHBondContact O-N 3.29Å; M597-S599 VanDerWaalsContact O-N 3.11Å; M597-L600 PolarHBondContact O-N 3.13Å; M597-L600 HydrophobicContact SD-CD1 4.19Å; M597-V601 HydrophobicContact CB-CG1 4.45Å; M597-V601 HydrophobicContact CE-CG1 3.83Å; M597-V601 WeakPolarHBondContact O-CG1 3.43Å; M597-V601 VanDerWaalsContact O-CG2 3.27Å; M597-V601 WeakPolarHBondContact O-CG2 3.19Å; M597-V601 PolarHBondContact O-N 3.11Å; M597-V623 HydrophobicContact CB-CB 3.76Å; M597-V623 HydrophobicContact CB-CG1 4.2Å; M597-V623 HydrophobicContact CB-CG2 4.01Å; M597-V623 HydrophobicContact CE-CG1 4.44Å; M597-V623 HydrophobicContact CG-CB 4Å; M597-A625 HydrophobicContact CE-CB 3.9Å; M597-L666 HydrophobicContact CE-CD1 4.43Å
598	S	88	Confident	90.4	Very high	50 Å²	50	45.3 Å²	45.3	35%	0.35	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.9	-179.6	63	0	0	0	0	114.1	D594 V596	D594-S598 WeakPolarHBondContact O-CB 3.33Å; D594-S598 PolarHBondContact O-N 3.34Å; D594-S598 PolarHBondContact O-OG 3.19Å; V596-S598 VanDerWaalsContact C-N 3.33Å; V596-S598 PolarHBondContact O-N 3.03Å
599	S	88.4	Confident	90.1	Very high	98 Å²	98	50.7 Å²	50.7	69%	0.685	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-14.4	177.5	64.6	0	0	0	0	114.5	V596 M597	V596-S599 PolarHBondContact O-OG 3.46Å; V596-S599 VanDerWaalsContact O-OG 3.13Å; M597-S599 PolarHBondContact O-N 3.29Å; M597-S599 VanDerWaalsContact O-N 3.11Å
600	L	90.9	Very high	89.8	Confident	25 Å²	25	53 Å²	53	13%	0.131	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-28.4	-177.3	-54.6	178.1	0	0	0	112.3	V596 M597 E663 N665 L666	V596-L600 HydrophobicContact CG1-CD1 4.25Å; M597-L600 PolarHBondContact O-N 3.13Å; M597-L600 HydrophobicContact SD-CD1 4.19Å; L600-E663 HydrophobicContact CD1-CB 4.36Å; L600-E663 HydrophobicContact CD2-CB 4.19Å; L600-E663 WeakPolarHBondContact CD2-O 3.36Å; L600-N665 PolarHBondContact O-N 3.26Å; L600-L666 HydrophobicContact CB-CD1 4.34Å; L600-L666 PolarHBondContact O-N 3.12Å; L600-L666 VanDerWaalsContact O-N 3.15Å
601	V	91.9	Very high	89.6	Confident	12 Å²	12	53 Å²	53	7%	0.073	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-86.6	154.8	179.9	-57.7	0	0	0	0	111.6	M597 L607 V623 A625 L666 V668	M597-V601 HydrophobicContact CB-CG1 4.45Å; M597-V601 HydrophobicContact CE-CG1 3.83Å; M597-V601 WeakPolarHBondContact O-CG1 3.43Å; M597-V601 VanDerWaalsContact O-CG2 3.27Å; M597-V601 WeakPolarHBondContact O-CG2 3.19Å; M597-V601 PolarHBondContact O-N 3.11Å; V601-L607 HydrophobicContact CG2-CD2 3.73Å; V601-V623 HydrophobicContact CG1-CG1 4.34Å; V601-A625 HydrophobicContact CG1-CB 3.75Å; V601-L666 WeakPolarHBondContact CA-O 3.28Å; V601-L666 HydrophobicContact CG1-CB 4.27Å; V601-V668 HydrophobicContact CB-CG2 3.54Å; V601-V668 HydrophobicContact CG1-CG2 3.92Å; V601-V668 HydrophobicContact CG2-CG2 3.69Å
602	S	88.6	Confident	89.2	Confident	42 Å²	42	54 Å²	54	29%	0.294	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-57.2	141	167.7	57.9	0	0	0	0	110.1	V604 L666	S602-V604 WeakPolarHBondContact O-CG2 3.4Å; S602-V604 PolarHBondContact O-N 3.3Å; S602-L666 PolarHBondContact N-O 3.38Å; S602-L666 PolarHBondContact OG-O 3.12Å
603	Y	86.5	Confident	89	Confident	186 Å²	186	56.5 Å²	56.5	73%	0.729	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-56.6	131.3	176.9	178.6	-102.9	0	0	0	111.2	D605	Y603-D605 WeakPolarHBondContact CE1-OD1 3.47Å
604	V	86.6	Confident	89	Confident	34 Å²	34	56.6 Å²	56.6	21%	0.206	31%	0.307	C	S	.	.			trans	-141.3	120.1	-179	172.9	0	0	0	0	108.3	S602 W606 L607 V668	S602-V604 WeakPolarHBondContact O-CG2 3.4Å; S602-V604 PolarHBondContact O-N 3.3Å; V604-W606 HydrophobicContact CG1-CD2 3.91Å; V604-W606 HydrophobicContact CG1-CG 3.82Å; V604-W606 HydrophobicContact CG1-CZ2 4.06Å; V604-W606 PolarHBondContact O-N 2.87Å; V604-W606 VanDerWaalsContact O-N 3.13Å; V604-L607 HydrophobicContact CB-CB 4.33Å; V604-L607 HydrophobicContact CG1-CB 4.47Å; V604-L607 PolarHBondContact O-N 3.36Å; V604-V668 HydrophobicContact CG2-CB 4.33Å; V604-V668 HydrophobicContact CG2-CG2 4.02Å
605	D	87.2	Confident	88.8	Confident	121 Å²	121	55.6 Å²	55.6	65%	0.647	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-35.3	-170.6	-56.2	-7.7	0	0	0	114.1	Y603	Y603-D605 WeakPolarHBondContact CE1-OD1 3.47Å
606	W	90.7	Very high	88.7	Confident	60 Å²	60	57.6 Å²	57.6	23%	0.227	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-15.4	-174.3	62	-99.2	0	0	0	114.2	H423 V604 E610 V668 L671	H423-W606 AromaticContact CE1-CE3 3.59Å; H423-W606 AromaticContact CE1-CZ3 3.91Å; H423-W606 AromaticContact ND1-CE3 3.37Å; H423-W606 AromaticContact ND1-CH2 3.87Å; H423-W606 AromaticContact ND1-CZ3 3.19Å; H423-W606 WeakPolarHBondContact ND1-CZ3 3.42Å; V604-W606 HydrophobicContact CG1-CD2 3.91Å; V604-W606 HydrophobicContact CG1-CG 3.82Å; V604-W606 HydrophobicContact CG1-CZ2 4.06Å; V604-W606 PolarHBondContact O-N 2.87Å; V604-W606 VanDerWaalsContact O-N 3.13Å; W606-E610 HydrophobicContact CB-CG 4.41Å; W606-E610 HydrophobicContact CE3-CB 4.12Å; W606-E610 HydrophobicContact CE3-CG 4.17Å; W606-E610 VanDerWaalsContact O-CB 3.3Å; W606-E610 WeakPolarHBondContact O-CB 3.09Å; W606-E610 VanDerWaalsContact O-CG 3.29Å; W606-E610 WeakPolarHBondContact O-CG 3.18Å; W606-E610 PolarHBondContact O-N 3.47Å; W606-V668 HydrophobicContact CH2-CG1 4.04Å; W606-V668 HydrophobicContact CZ2-CG1 4.1Å; W606-L671 HydrophobicContact CH2-CB 4.38Å; W606-L671 HydrophobicContact CZ3-CB 4.04Å; W606-L671 HydrophobicContact CZ3-CD2 4.43Å
607	L	91.5	Very high	88.5	Confident	9 Å²	9	60.2 Å²	60.2	5%	0.047	31%	0.314	C	S	.	.	H	α-helix	trans	-65.9	-48.8	-166.2	179.5	63.3	0	0	0	112.6	V601 V604 A611 V623 V668 L671	V601-L607 HydrophobicContact CG2-CD2 3.73Å; V604-L607 HydrophobicContact CB-CB 4.33Å; V604-L607 HydrophobicContact CG1-CB 4.47Å; V604-L607 PolarHBondContact O-N 3.36Å; L607-A611 WeakPolarHBondContact O-CB 3.23Å; L607-A611 PolarHBondContact O-N 3.47Å; L607-V623 HydrophobicContact CD1-CG1 4.19Å; L607-V623 HydrophobicContact CD1-CG2 3.95Å; L607-V623 HydrophobicContact CD2-CG1 4.37Å; L607-V668 HydrophobicContact CD1-CG1 4.49Å; L607-V668 HydrophobicContact CD2-CG2 4.28Å; L607-L671 HydrophobicContact CD1-CB 4.44Å
608	E	88.6	Confident	88.2	Confident	133 Å²	133	60.5 Å²	60.5	62%	0.621	32%	0.317	S	S	*	.	H	α-helix	trans	-67.5	-42.5	-177.7	-66.3	-170.5	164.3	0	0	111.6	G612	E608-G612 PolarHBondContact O-N 3Å
609	D	89.8	Confident	88.3	Confident	113 Å²	113	58.5 Å²	58.5	60%	0.604	30%	0.302	S	S	*	.	H	α-helix	trans	-64.7	-45.9	179.2	-75.5	-20.8	0	0	0	111.5	G612 N613	D609-G612 PolarHBondContact O-N 2.83Å; D609-N613 VanDerWaalsContact O-CG 3.23Å; D609-N613 PolarHBondContact O-N 3.48Å; D609-N613 PolarHBondContact O-ND2 2.88Å
610	E	90.8	Very high	88.4	Confident	56 Å²	56	55.6 Å²	55.6	26%	0.262	28%	0.276	S	S	.	.	H	α-helix	trans	-74.8	-35.8	-178.9	-66	-58.1	149.3	0	0	112.8	H423 W606 G612 N613 L614 L671	H423-E610 IonicContact NE2-OE2 2.76Å; W606-E610 HydrophobicContact CB-CG 4.41Å; W606-E610 HydrophobicContact CE3-CB 4.12Å; W606-E610 HydrophobicContact CE3-CG 4.17Å; W606-E610 VanDerWaalsContact O-CB 3.3Å; W606-E610 WeakPolarHBondContact O-CB 3.09Å; W606-E610 VanDerWaalsContact O-CG 3.29Å; W606-E610 WeakPolarHBondContact O-CG 3.18Å; W606-E610 PolarHBondContact O-N 3.47Å; E610-G612 VanDerWaalsContact C-N 3.28Å; E610-G612 PolarHBondContact O-N 2.84Å; E610-N613 PolarHBondContact O-N 3.44Å; E610-N613 PolarHBondContact OE1-ND2 2.79Å; E610-N613 PolarHBondContact OE2-ND2 3.47Å; E610-L614 WeakPolarHBondContact O-CG 3.34Å; E610-L614 PolarHBondContact O-N 3Å; E610-L671 HydrophobicContact CB-CD2 4.11Å
611	A	89.8	Confident	88.4	Confident	2 Å²	2	55.1 Å²	55.1	2%	0.017	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-43.1	168.3	0	0	0	0	0	110.8	D594 L607 N613 L614 A615 T621 L671	D594-A611 HydrophobicContact CB-CB 3.92Å; L607-A611 WeakPolarHBondContact O-CB 3.23Å; L607-A611 PolarHBondContact O-N 3.47Å; A611-N613 VanDerWaalsContact C-N 3.35Å; A611-N613 PolarHBondContact O-N 3.31Å; A611-L614 PolarHBondContact O-N 3.18Å; A611-A615 VanDerWaalsContact O-CB 3.28Å; A611-A615 WeakPolarHBondContact O-CB 3.23Å; A611-A615 PolarHBondContact O-N 2.78Å; A611-T621 HydrophobicContact CB-CG2 4.39Å; A611-L671 HydrophobicContact CB-CD1 4.46Å; A611-L671 HydrophobicContact CB-CD2 4.13Å
612	G	87.1	Confident	88.4	Confident	31 Å²	31	55.7 Å²	55.7	32%	0.32	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-41	173.5	0	0	0	0	0	113.3	E608 D609 E610 R616	E608-G612 PolarHBondContact O-N 3Å; D609-G612 PolarHBondContact O-N 2.83Å; E610-G612 VanDerWaalsContact C-N 3.28Å; E610-G612 PolarHBondContact O-N 2.84Å; G612-R616 WeakPolarHBondContact O-CB 3.25Å; G612-R616 PolarHBondContact O-N 3.44Å
613	N	88.6	Confident	88.7	Confident	53 Å²	53	53.7 Å²	53.7	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-64.6	-48.9	176.9	-70.7	-26.6	0	0	0	111.9	D609 E610 A611 A615 R616 E617	D609-N613 VanDerWaalsContact O-CG 3.23Å; D609-N613 PolarHBondContact O-N 3.48Å; D609-N613 PolarHBondContact O-ND2 2.88Å; E610-N613 PolarHBondContact O-N 3.44Å; E610-N613 PolarHBondContact OE1-ND2 2.79Å; E610-N613 PolarHBondContact OE2-ND2 3.47Å; A611-N613 VanDerWaalsContact C-N 3.35Å; A611-N613 PolarHBondContact O-N 3.31Å; N613-A615 PolarHBondContact O-N 2.99Å; N613-R616 WeakPolarHBondContact O-CB 3.37Å; N613-R616 PolarHBondContact O-N 2.85Å; N613-R616 VanDerWaalsContact O-N 3.15Å; N613-R616 PolarHBondContact OD1-NH1 2.84Å; N613-E617 PolarHBondContact O-N 2.98Å; N613-E617 VanDerWaalsContact O-N 3.09Å
614	L	89.1	Confident	89.2	Confident	9 Å²	9	45 Å²	45	5%	0.047	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-41.7	176.4	-66.3	-178.5	0	0	0	111.7	K421 E610 A611 R616 E617 G618 L619 T621 L671	K421-L614 HydrophobicContact CB-CD2 4.16Å; K421-L614 HydrophobicContact CD-CD2 3.52Å; K421-L614 HydrophobicContact CG-CD2 4.44Å; E610-L614 WeakPolarHBondContact O-CG 3.34Å; E610-L614 PolarHBondContact O-N 3Å; A611-L614 PolarHBondContact O-N 3.18Å; L614-R616 VanDerWaalsContact C-N 3.3Å; L614-R616 PolarHBondContact O-N 2.88Å; L614-E617 WeakPolarHBondContact O-CB 3.41Å; L614-E617 PolarHBondContact O-N 3.43Å; L614-E617 VanDerWaalsContact O-N 3.16Å; L614-G618 PolarHBondContact O-N 3.45Å; L614-G618 VanDerWaalsContact O-N 3.15Å; L614-L619 HydrophobicContact CB-CB 4.36Å; L614-L619 HydrophobicContact CD2-CD1 3.77Å; L614-L619 PolarHBondContact O-N 2.97Å; L614-T621 HydrophobicContact CB-CG2 3.53Å; L614-T621 HydrophobicContact CD1-CG2 4.06Å; L614-T621 HydrophobicContact CG-CG2 4.43Å; L614-L671 HydrophobicContact CD1-CD2 3.6Å; L614-L671 HydrophobicContact CD1-CG 3.73Å
615	A	85	Confident	89.6	Confident	24 Å²	24	43.4 Å²	43.4	20%	0.198	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-27.1	176.1	0	0	0	0	0	113.1	A611 N613 G618 K712	A611-A615 VanDerWaalsContact O-CB 3.28Å; A611-A615 WeakPolarHBondContact O-CB 3.23Å; A611-A615 PolarHBondContact O-N 2.78Å; N613-A615 PolarHBondContact O-N 2.99Å; A615-G618 PolarHBondContact O-N 2.92Å; A615-K712 WeakPolarHBondContact O-CD 3.13Å; A615-K712 PolarHBondContact O-NZ 2.69Å
616	R	83.7	Confident	90	Very high	121 Å²	121	38.1 Å²	38.1	46%	0.457	19%	0.192	S	C	.	.	H	α-helix	trans	-73.2	-31.2	172.3	-163.2	-176	-58.1	113.6	3.3	111.9	G612 N613 L614 G618	G612-R616 WeakPolarHBondContact O-CB 3.25Å; G612-R616 PolarHBondContact O-N 3.44Å; N613-R616 WeakPolarHBondContact O-CB 3.37Å; N613-R616 PolarHBondContact O-N 2.85Å; N613-R616 VanDerWaalsContact O-N 3.15Å; N613-R616 PolarHBondContact OD1-NH1 2.84Å; L614-R616 VanDerWaalsContact C-N 3.3Å; L614-R616 PolarHBondContact O-N 2.88Å; R616-G618 PolarHBondContact O-N 3.26Å
617	E	84.8	Confident	90.2	Very high	86 Å²	86	38.7 Å²	38.7	40%	0.402	19%	0.194	S	C	.	.	H	α-helix	trans	-72.6	-16.6	170.4	-66.9	-177.6	-179.6	0	0	113.1	K421 N613 L614 L619	K421-E617 WeakPolarHBondContact CE-OE2 3.32Å; K421-E617 IonicContact NZ-OE1 2.98Å; K421-E617 PolarHBondContact NZ-OE1 3.26Å; K421-E617 IonicContact NZ-OE2 2.71Å; K421-E617 PolarHBondContact NZ-OE2 2.8Å; N613-E617 PolarHBondContact O-N 2.98Å; N613-E617 VanDerWaalsContact O-N 3.09Å; L614-E617 WeakPolarHBondContact O-CB 3.41Å; L614-E617 PolarHBondContact O-N 3.43Å; L614-E617 VanDerWaalsContact O-N 3.16Å; E617-L619 HydrophobicContact CB-CD1 4.44Å; E617-L619 HydrophobicContact CB-CG 4.34Å
618	G	85.5	Confident	90.3	Very high	5 Å²	5	42.7 Å²	42.7	5%	0.052	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	21	-178.9	0	0	0	0	0	113.4	L614 A615 R616 C709	L614-G618 PolarHBondContact O-N 3.45Å; L614-G618 VanDerWaalsContact O-N 3.15Å; A615-G618 PolarHBondContact O-N 2.92Å; R616-G618 PolarHBondContact O-N 3.26Å; G618-C709 WeakPolarHBondContact CA-O 3.47Å
619	L	89.9	Confident	90.5	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.042	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-86.2	142.6	172.6	-60.4	173.1	0	0	0	109.7	K420 K421 L614 E617 E675	K420-L619 HydrophobicContact CB-CD2 4.03Å; K420-L619 HydrophobicContact CG-CD2 4.23Å; K421-L619 HydrophobicContact CB-CD1 4.43Å; K421-L619 HydrophobicContact CD-CD1 3.8Å; K421-L619 HydrophobicContact CG-CD1 4.12Å; L614-L619 HydrophobicContact CB-CB 4.36Å; L614-L619 HydrophobicContact CD2-CD1 3.77Å; L614-L619 PolarHBondContact O-N 2.97Å; E617-L619 HydrophobicContact CB-CD1 4.44Å; E617-L619 HydrophobicContact CB-CG 4.34Å; L619-E675 HydrophobicContact CD2-CB 3.62Å; L619-E675 HydrophobicContact CD2-CG 4.15Å
620	R	89.1	Confident	90.7	Very high	38 Å²	38	35 Å²	35	14%	0.143	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.7	168.8	-63	-169.9	-168.1	176.4	10.1	109.1	D524 G673 V674 T706	D524-R620 IonicContact OD1-CZ 3.62Å; D524-R620 IonicContact OD1-NH1 2.89Å; D524-R620 PolarHBondContact OD1-NH1 3.26Å; D524-R620 IonicContact OD2-NH1 3.67Å; D524-R620 PolarHBondContact OD2-NH1 2.88Å; R620-G673 WeakPolarHBondContact O-CA 3.34Å; R620-V674 HydrophobicContact CB-CB 4.5Å; R620-V674 PolarHBondContact N-O 3.49Å; R620-V674 PolarHBondContact O-N 3.13Å; R620-T706 VanDerWaalsContact CZ-CG2 3.49Å
621	T	91.1	Very high	90.7	Very high	14 Å²	14	37 Å²	37	9%	0.086	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.9	-177.4	37.8	0	0	0	0	110.7	D594 A611 L614 L671 T672	D594-T621 PolarHBondContact OD1-OG1 3.5Å; A611-T621 HydrophobicContact CB-CG2 4.39Å; L614-T621 HydrophobicContact CB-CG2 3.53Å; L614-T621 HydrophobicContact CD1-CG2 4.06Å; L614-T621 HydrophobicContact CG-CG2 4.43Å; T621-L671 HydrophobicContact CG2-CD1 4.23Å; T621-T672 WeakPolarHBondContact CA-O 3.4Å
622	L	92.9	Very high	90.8	Very high	24 Å²	24	44.7 Å²	44.7	13%	0.126	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.5	168.8	-58.7	168.6	0	0	0	109.5	L528 G592 T672	L528-L622 HydrophobicContact CD1-CD1 4.17Å; G592-L622 CarbonylContact O-C 3.46Å; G592-L622 WeakPolarHBondContact O-CA 3.42Å; L622-T672 WeakPolarHBondContact CB-OG1 3.39Å; L622-T672 PolarHBondContact N-O 2.95Å; L622-T672 PolarHBondContact O-N 2.88Å; L622-T672 PolarHBondContact O-OG1 2.64Å
623	V	95.1	Very high	91	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.3	174.3	-174.5	0	0	0	0	107.9	K591 G592 D594 M597 V601 L607 V668 L671	K591-V623 CarbonylContact C-O 3.54Å; K591-V623 VanDerWaalsContact CA-O 3.25Å; K591-V623 WeakPolarHBondContact CA-O 3.49Å; G592-V623 PolarHBondContact N-O 3.46Å; G592-V623 PolarHBondContact O-N 2.96Å; D594-V623 HydrophobicContact CB-CG2 4.02Å; M597-V623 HydrophobicContact CB-CB 3.76Å; M597-V623 HydrophobicContact CB-CG1 4.2Å; M597-V623 HydrophobicContact CB-CG2 4.01Å; M597-V623 HydrophobicContact CE-CG1 4.44Å; M597-V623 HydrophobicContact CG-CB 4Å; V601-V623 HydrophobicContact CG1-CG1 4.34Å; L607-V623 HydrophobicContact CD1-CG1 4.19Å; L607-V623 HydrophobicContact CD1-CG2 3.95Å; L607-V623 HydrophobicContact CD2-CG1 4.37Å; V623-V668 HydrophobicContact CG1-CG1 4.17Å; V623-L671 HydrophobicContact CG2-CD1 3.94Å
624	V	96.1	Very high	91.3	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125	173.8	-174.7	0	0	0	0	107.9	A476 I477 V590 K591 L669 C670 T672	A476-V624 HydrophobicContact CB-CG1 3.78Å; I477-V624 HydrophobicContact CG1-CG2 4.11Å; V590-V624 WeakPolarHBondContact O-CA 3.46Å; K591-V624 HydrophobicContact CB-CG2 4.17Å; V624-L669 PolarHBondContact O-N 3.46Å; V624-C670 PolarHBondContact N-O 2.91Å; V624-C670 PolarHBondContact O-N 3.28Å; V624-T672 HydrophobicContact CG2-CG2 4.15Å
625	A	96.1	Very high	91.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	160	-179.3	0	0	0	0	0	110.3	V590 M597 V601 L666 E667	V590-A625 PolarHBondContact N-O 3.08Å; V590-A625 PolarHBondContact O-N 2.97Å; M597-A625 HydrophobicContact CE-CB 3.9Å; V601-A625 HydrophobicContact CG1-CB 3.75Å; A625-L666 HydrophobicContact CB-CB 3.77Å; A625-L666 HydrophobicContact CB-CD1 4.38Å; A625-E667 CarbonylContact C-O 3.56Å; A625-E667 WeakPolarHBondContact CA-O 3.25Å; A625-E667 WeakPolarHBondContact CB-O 3.45Å
626	S	95.2	Very high	91.8	Very high	11 Å²	11	50.2 Å²	50.2	8%	0.077	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	162.5	178.6	73.8	0	0	0	0	112.6	F588 E667	F588-S626 CarbonylContact O-C 3.45Å; F588-S626 WeakPolarHBondContact O-CA 3.48Å; S626-E667 PolarHBondContact N-O 3.04Å; S626-E667 PolarHBondContact O-N 2.89Å
627	R	94.7	Very high	92.3	Very high	71 Å²	71	44.7 Å²	44.7	27%	0.268	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	124.7	171.1	-179.6	174.4	174.4	177.8	0.6	109.2	F588 L629 L662 T664 L666	F588-R627 PolarHBondContact N-O 3.42Å; F588-R627 PolarHBondContact O-N 2.66Å; R627-L629 HydrophobicContact CG-CD2 4.22Å; R627-L662 PolarHBondContact NH1-O 3.03Å; R627-L662 VanDerWaalsContact NH1-O 3.14Å; R627-T664 PolarHBondContact NH1-O 3.39Å; R627-T664 VanDerWaalsContact NH1-O 3.11Å; R627-T664 PolarHBondContact NH1-OG1 3.2Å; R627-T664 VanDerWaalsContact NH1-OG1 3.11Å; R627-L666 HydrophobicContact CB-CD2 3.71Å
628	T	93.4	Very high	92.7	Very high	93 Å²	93	42 Å²	42	57%	0.571	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.7	171.7	-50.3	0	0	0	0	109.6
629	L	93	Very high	93	Very high	9 Å²	9	48.2 Å²	48.2	5%	0.047	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141	178.4	-59.8	176.7	0	0	0	109.9	I586 F588 R627 L662	I586-L629 HydrophobicContact CB-CB 4.36Å; I586-L629 HydrophobicContact CG2-CB 4.03Å; I586-L629 HydrophobicContact CG2-CD1 4.3Å; I586-L629 PolarHBondContact O-N 3.46Å; F588-L629 HydrophobicContact CB-CD1 4.06Å; F588-L629 HydrophobicContact CB-CG 4.39Å; R627-L629 HydrophobicContact CG-CD2 4.22Å; L629-L662 HydrophobicContact CD1-CD1 4.49Å; L629-L662 HydrophobicContact CD1-CD2 4.02Å; L629-L662 HydrophobicContact CD2-CD2 3.91Å
630	T	93.7	Very high	93.1	Very high	75 Å²	75	54 Å²	54	46%	0.46	27%	0.266	S	S	.	.			trans	-76.5	157.5	165.9	67.8	0	0	0	0	110.1	E632 Q633 Y634	T630-E632 PolarHBondContact O-N 3.48Å; T630-Q633 PolarHBondContact O-N 2.86Å; T630-Q633 VanDerWaalsContact O-N 3.13Å; T630-Q633 VanDerWaalsContact OG1-CG 3.25Å; T630-Q633 WeakPolarHBondContact OG1-CG 3.32Å; T630-Q633 PolarHBondContact OG1-N 3.38Å; T630-Y634 PolarHBondContact O-N 2.86Å
631	E	91	Very high	93.2	Very high	100 Å²	100	53.9 Å²	53.9	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-57.8	-36.1	177.4	-171.4	63.8	-141.1	0	0	111.7	R579 I586 Y634 S635	R579-E631 IonicContact CZ-OE2 3.85Å; R579-E631 IonicContact NE-OE2 3.68Å; R579-E631 IonicContact NH2-OE1 2.69Å; R579-E631 PolarHBondContact NH2-OE1 3.34Å; R579-E631 IonicContact NH2-OE2 2.83Å; R579-E631 PolarHBondContact NH2-OE2 2.98Å; I586-E631 WeakPolarHBondContact CD1-OE2 3.41Å; E631-Y634 PolarHBondContact O-N 2.89Å; E631-S635 WeakPolarHBondContact O-CB 3.39Å; E631-S635 PolarHBondContact O-N 3.28Å
632	E	92.3	Very high	93	Very high	163 Å²	163	58.6 Å²	58.6	76%	0.762	29%	0.287	S	S	*	.	H	α-helix	trans	-64.6	-44.9	175.6	-64.5	-178.7	172.4	0	0	112.3	T630 Y634 S635 D636	T630-E632 PolarHBondContact O-N 3.48Å; E632-Y634 VanDerWaalsContact C-N 3.35Å; E632-Y634 PolarHBondContact O-N 2.89Å; E632-S635 PolarHBondContact O-N 2.72Å; E632-D636 PolarHBondContact O-N 2.88Å
633	Q	91.6	Very high	92.8	Very high	86 Å²	86	61.4 Å²	61.4	40%	0.402	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-42.4	177.3	-74.4	170.7	-14	0	0	111.5	T630 F637	T630-Q633 PolarHBondContact O-N 2.86Å; T630-Q633 VanDerWaalsContact O-N 3.13Å; T630-Q633 VanDerWaalsContact OG1-CG 3.25Å; T630-Q633 WeakPolarHBondContact OG1-CG 3.32Å; T630-Q633 PolarHBondContact OG1-N 3.38Å; Q633-F637 WeakPolarHBondContact O-CB 3.35Å; Q633-F637 PolarHBondContact O-N 2.97Å
634	Y	93.1	Very high	92.4	Very high	29 Å²	29	61.8 Å²	61.8	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-42.7	176.1	175.3	-106.8	0	0	0	111.9	L562 N563 I577 I586 T630 E631 E632 D636 F637 A638	L562-Y634 HydrophobicContact CB-CE2 3.98Å; L562-Y634 WeakPolarHBondContact CB-OH 3.36Å; L562-Y634 HydrophobicContact CD1-CD1 4.17Å; L562-Y634 HydrophobicContact CD1-CD2 4.29Å; L562-Y634 HydrophobicContact CD1-CE1 3.83Å; L562-Y634 HydrophobicContact CD1-CE2 3.96Å; L562-Y634 HydrophobicContact CD1-CG 4.41Å; L562-Y634 HydrophobicContact CD2-CE1 4.21Å; L562-Y634 HydrophobicContact CG-CE1 4.44Å; N563-Y634 WeakPolarHBondContact OD1-CE2 3.37Å; N563-Y634 PolarHBondContact OD1-OH 3.4Å; I577-Y634 HydrophobicContact CD1-CD2 4.27Å; I577-Y634 HydrophobicContact CD1-CE2 4.16Å; I577-Y634 HydrophobicContact CG2-CD2 3.94Å; I577-Y634 HydrophobicContact CG2-CE2 3.98Å; I586-Y634 HydrophobicContact CD1-CD1 4.07Å; I586-Y634 HydrophobicContact CD1-CG 4.07Å; T630-Y634 PolarHBondContact O-N 2.86Å; E631-Y634 PolarHBondContact O-N 2.89Å; E632-Y634 VanDerWaalsContact C-N 3.35Å; E632-Y634 PolarHBondContact O-N 2.89Å; Y634-D636 PolarHBondContact O-N 2.77Å; Y634-F637 HydrophobicContact CD2-CD1 4.49Å; Y634-F637 HydrophobicContact CE2-CD1 4.49Å; Y634-F637 PolarHBondContact O-N 3.36Å; Y634-A638 HydrophobicContact CE1-CB 4.4Å; Y634-A638 HydrophobicContact CE2-CB 4.48Å; Y634-A638 WeakPolarHBondContact O-CB 3.41Å; Y634-A638 PolarHBondContact O-N 3.47Å
635	S	93.3	Very high	91.8	Very high	46 Å²	46	66.3 Å²	66.3	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-61.3	-43.1	178.1	-169.6	0	0	0	0	112.1	E631 E632 A638 K639	E631-S635 WeakPolarHBondContact O-CB 3.39Å; E631-S635 PolarHBondContact O-N 3.28Å; E632-S635 PolarHBondContact O-N 2.72Å; S635-A638 PolarHBondContact O-N 3.36Å; S635-K639 VanDerWaalsContact O-CG 3.3Å; S635-K639 WeakPolarHBondContact O-CG 3.12Å; S635-K639 PolarHBondContact O-N 2.79Å; S635-K639 VanDerWaalsContact O-N 3.08Å
636	D	93.3	Very high	91.2	Very high	71 Å²	71	72.6 Å²	72.6	38%	0.38	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-47	174.2	179.7	45	0	0	0	111.4	E632 Y634 A638 K639 R640	E632-D636 PolarHBondContact O-N 2.88Å; Y634-D636 PolarHBondContact O-N 2.77Å; D636-A638 PolarHBondContact O-N 3.26Å; D636-K639 PolarHBondContact O-N 2.83Å; D636-R640 WeakPolarHBondContact O-CG 3.36Å; D636-R640 PolarHBondContact O-N 3.4Å; D636-R640 IonicContact OD1-CZ 2.83Å; D636-R640 IonicContact OD1-NE 3.16Å; D636-R640 PolarHBondContact OD1-NE 3.3Å; D636-R640 IonicContact OD1-NH2 3.92Å; D636-R640 PolarHBondContact OD1-NH2 2.93Å; D636-R640 IonicContact OD2-CZ 3.73Å; D636-R640 IonicContact OD2-NE 3.72Å; D636-R640 PolarHBondContact OD2-NE 2.74Å; D636-R640 VanDerWaalsContact OD2-NE 3.12Å; D636-R640 IonicContact OD2-NH2 3.27Å; D636-R640 PolarHBondContact OD2-NH2 3.37Å
637	F	93.2	Very high	90.6	Very high	5 Å²	5	73.2 Å²	73.2	2%	0.022	37%	0.366	C	S	.	.	H	α-helix	trans	-57.2	-49.2	175.4	173.2	-95.4	0	0	0	112.2	F565 I577 Q633 Y634 K639 R640 Y641 V658 V659 L662	F565-F637 HydrophobicContact CE1-CZ 4.3Å; F565-F637 HydrophobicContact CE2-CZ 4.36Å; F565-F637 AromaticContact CZ-CE1 3.88Å; F565-F637 HydrophobicContact CZ-CE1 3.88Å; F565-F637 AromaticContact CZ-CZ 3.57Å; F565-F637 HydrophobicContact CZ-CZ 3.57Å; I577-F637 HydrophobicContact CD1-CD1 3.91Å; I577-F637 HydrophobicContact CD1-CE1 3.61Å; I577-F637 HydrophobicContact CD1-CZ 4.31Å; Q633-F637 WeakPolarHBondContact O-CB 3.35Å; Q633-F637 PolarHBondContact O-N 2.97Å; Y634-F637 HydrophobicContact CD2-CD1 4.49Å; Y634-F637 HydrophobicContact CE2-CD1 4.49Å; Y634-F637 PolarHBondContact O-N 3.36Å; F637-K639 VanDerWaalsContact C-N 3.31Å; F637-K639 PolarHBondContact O-N 2.69Å; F637-R640 PolarHBondContact O-N 3.38Å; F637-Y641 HydrophobicContact CE1-CG 4.39Å; F637-Y641 HydrophobicContact CZ-CD2 4.08Å; F637-Y641 HydrophobicContact CZ-CG 4.28Å; F637-Y641 VanDerWaalsContact O-CB 3.28Å; F637-Y641 WeakPolarHBondContact O-CB 3.34Å; F637-Y641 PolarHBondContact O-N 3.35Å; F637-V658 HydrophobicContact CD2-CG1 3.84Å; F637-V658 HydrophobicContact CE2-CG1 3.61Å; F637-V658 HydrophobicContact CZ-CG1 4.38Å; F637-V659 HydrophobicContact CZ-CG2 4.34Å; F637-L662 HydrophobicContact CD1-CD1 4.01Å; F637-L662 HydrophobicContact CD2-CD1 3.46Å; F637-L662 VanDerWaalsContact CD2-CD1 3.46Å; F637-L662 HydrophobicContact CD2-CD2 4.05Å; F637-L662 HydrophobicContact CD2-CG 3.54Å; F637-L662 HydrophobicContact CE1-CD1 3.92Å; F637-L662 HydrophobicContact CE2-CD1 3.33Å; F637-L662 HydrophobicContact CE2-CG 3.67Å; F637-L662 HydrophobicContact CG-CD1 3.8Å; F637-L662 HydrophobicContact CG-CD2 4.34Å; F637-L662 HydrophobicContact CG-CG 4.18Å; F637-L662 HydrophobicContact CZ-CD1 3.59Å; F637-L662 HydrophobicContact CZ-CG 4.42Å
638	A	92.3	Very high	90	Very high	29 Å²	29	78.3 Å²	78.3	24%	0.24	40%	0.398	C	S	.	.	H	α-helix	trans	-61	-40.1	-178.4	0	0	0	0	0	111.8	Y634 S635 D636 H642	Y634-A638 HydrophobicContact CE1-CB 4.4Å; Y634-A638 HydrophobicContact CE2-CB 4.48Å; Y634-A638 WeakPolarHBondContact O-CB 3.41Å; Y634-A638 PolarHBondContact O-N 3.47Å; S635-A638 PolarHBondContact O-N 3.36Å; D636-A638 PolarHBondContact O-N 3.26Å; A638-H642 VanDerWaalsContact O-CB 3.29Å; A638-H642 WeakPolarHBondContact O-CB 3.33Å; A638-H642 PolarHBondContact O-N 3.05Å
639	K	92.4	Very high	89.5	Confident	137 Å²	137	78 Å²	78	60%	0.596	40%	0.396	S	S	*	.	H	α-helix	trans	-62.2	-50.5	174.1	-74	169.4	-175.8	170.1	0	111.5	S635 D636 F637 Y641 H642 S643	S635-K639 VanDerWaalsContact O-CG 3.3Å; S635-K639 WeakPolarHBondContact O-CG 3.12Å; S635-K639 PolarHBondContact O-N 2.79Å; S635-K639 VanDerWaalsContact O-N 3.08Å; D636-K639 PolarHBondContact O-N 2.83Å; F637-K639 VanDerWaalsContact C-N 3.31Å; F637-K639 PolarHBondContact O-N 2.69Å; K639-Y641 VanDerWaalsContact C-N 3.33Å; K639-Y641 PolarHBondContact O-N 3.47Å; K639-H642 PolarHBondContact O-N 3.44Å; K639-S643 PolarHBondContact O-N 3.31Å; K639-S643 PolarHBondContact O-OG 2.89Å; K639-S643 VanDerWaalsContact O-OG 3.12Å
640	R	92.2	Very high	89	Confident	128 Å²	128	82.5 Å²	82.5	48%	0.483	42%	0.42	S	S	.	.	H	α-helix	trans	-62.3	-41.2	179.1	-66.8	179	-165.5	-161.8	6	111.8	D636 F637 S643 A644 V658	D636-R640 WeakPolarHBondContact O-CG 3.36Å; D636-R640 PolarHBondContact O-N 3.4Å; D636-R640 IonicContact OD1-CZ 2.83Å; D636-R640 IonicContact OD1-NE 3.16Å; D636-R640 PolarHBondContact OD1-NE 3.3Å; D636-R640 IonicContact OD1-NH2 3.92Å; D636-R640 PolarHBondContact OD1-NH2 2.93Å; D636-R640 IonicContact OD2-CZ 3.73Å; D636-R640 IonicContact OD2-NE 3.72Å; D636-R640 PolarHBondContact OD2-NE 2.74Å; D636-R640 VanDerWaalsContact OD2-NE 3.12Å; D636-R640 IonicContact OD2-NH2 3.27Å; D636-R640 PolarHBondContact OD2-NH2 3.37Å; F637-R640 PolarHBondContact O-N 3.38Å; R640-S643 PolarHBondContact O-N 3.32Å; R640-A644 PolarHBondContact O-N 3.35Å; R640-V658 HydrophobicContact CB-CG1 3.9Å; R640-V658 HydrophobicContact CB-CG2 4.14Å
641	Y	90.7	Very high	88.4	Confident	37 Å²	37	84.5 Å²	84.5	15%	0.145	42%	0.419	C	S	.	.	H	α-helix	trans	-67.9	-40.4	179.9	-172.4	-100.7	0	0	0	111.8	F565 F637 K639 A644 K645 M655 V658 V659	F565-Y641 HydrophobicContact CD1-CE2 4.5Å; F565-Y641 HydrophobicContact CE1-CD2 4.43Å; F565-Y641 AromaticContact CE1-CE2 3.73Å; F565-Y641 HydrophobicContact CE1-CE2 3.73Å; F565-Y641 AromaticContact CE1-CZ 3.75Å; F637-Y641 HydrophobicContact CE1-CG 4.39Å; F637-Y641 HydrophobicContact CZ-CD2 4.08Å; F637-Y641 HydrophobicContact CZ-CG 4.28Å; F637-Y641 VanDerWaalsContact O-CB 3.28Å; F637-Y641 WeakPolarHBondContact O-CB 3.34Å; F637-Y641 PolarHBondContact O-N 3.35Å; K639-Y641 VanDerWaalsContact C-N 3.33Å; K639-Y641 PolarHBondContact O-N 3.47Å; Y641-A644 PolarHBondContact O-N 3.34Å; Y641-K645 WeakPolarHBondContact O-CB 3.38Å; Y641-K645 PolarHBondContact O-N 3.32Å; Y641-M655 HydrophobicContact CE1-CE 4.1Å; Y641-M655 HydrophobicContact CE2-CB 4.11Å; Y641-M655 HydrophobicContact CE2-CE 3.88Å; Y641-M655 HydrophobicContact CE2-CG 4.31Å; Y641-M655 VanDerWaalsContact CZ-CE 3.41Å; Y641-M655 WeakPolarHBondContact OH-CE 2.99Å; Y641-V658 HydrophobicContact CD2-CG1 4.31Å; Y641-V659 HydrophobicContact CD2-CG2 4.19Å; Y641-V659 HydrophobicContact CE2-CG2 3.83Å
642	H	88.3	Confident	88	Confident	113 Å²	113	84.4 Å²	84.4	52%	0.523	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-45.9	173.5	-173.4	76	0	0	0	111.5	A638 K639 A644 K645 M646	A638-H642 VanDerWaalsContact O-CB 3.29Å; A638-H642 WeakPolarHBondContact O-CB 3.33Å; A638-H642 PolarHBondContact O-N 3.05Å; K639-H642 PolarHBondContact O-N 3.44Å; H642-A644 VanDerWaalsContact C-N 3.3Å; H642-A644 PolarHBondContact O-N 3.26Å; H642-K645 WeakPolarHBondContact O-CB 3.3Å; H642-K645 PolarHBondContact O-N 2.95Å; H642-K645 VanDerWaalsContact O-N 3.1Å; H642-M646 WeakPolarHBondContact O-CG 3.44Å; H642-M646 PolarHBondContact O-N 3.46Å
643	S	88.7	Confident	87.7	Confident	82 Å²	82	83 Å²	83	57%	0.573	42%	0.419	S	S	*	.	H	α-helix	trans	-58.2	-41.1	174.5	-62.9	0	0	0	0	112.4	K639 R640 M646 S647	K639-S643 PolarHBondContact O-N 3.31Å; K639-S643 PolarHBondContact O-OG 2.89Å; K639-S643 VanDerWaalsContact O-OG 3.12Å; R640-S643 PolarHBondContact O-N 3.32Å; S643-M646 PolarHBondContact O-N 3.11Å; S643-S647 PolarHBondContact O-N 3.19Å
644	A	86.5	Confident	87.5	Confident	8 Å²	8	82.7 Å²	82.7	7%	0.066	42%	0.416	C	S	.	.	H	α-helix	trans	-65	-40.3	174.5	0	0	0	0	0	112.3	R640 Y641 H642 M646 S647 K654 M655 V658	R640-A644 PolarHBondContact O-N 3.35Å; Y641-A644 PolarHBondContact O-N 3.34Å; H642-A644 VanDerWaalsContact C-N 3.3Å; H642-A644 PolarHBondContact O-N 3.26Å; A644-M646 VanDerWaalsContact C-N 3.32Å; A644-M646 PolarHBondContact O-N 2.93Å; A644-S647 VanDerWaalsContact O-CB 3.26Å; A644-S647 WeakPolarHBondContact O-CB 3.35Å; A644-S647 PolarHBondContact O-N 3.31Å; A644-K654 HydrophobicContact CB-CB 3.91Å; A644-M655 HydrophobicContact CB-CG 3.89Å; A644-V658 HydrophobicContact CB-CG2 4.17Å
645	K	83	Confident	87.2	Confident	99 Å²	99	82.8 Å²	82.8	43%	0.43	42%	0.418	S	S	.	.	H	α-helix	trans	-66.3	-31.3	178.2	-168.2	178.8	179.6	-179.9	0	113	Y641 H642 S647 R651 M655	Y641-K645 WeakPolarHBondContact O-CB 3.38Å; Y641-K645 PolarHBondContact O-N 3.32Å; H642-K645 WeakPolarHBondContact O-CB 3.3Å; H642-K645 PolarHBondContact O-N 2.95Å; H642-K645 VanDerWaalsContact O-N 3.1Å; K645-S647 VanDerWaalsContact C-N 3.34Å; K645-R651 WeakPolarHBondContact O-CD 3.39Å; K645-R651 PolarHBondContact O-NE 3.04Å; K645-R651 VanDerWaalsContact O-NE 3.16Å; K645-M655 HydrophobicContact CB-SD 4.21Å; K645-M655 HydrophobicContact CG-CE 4.39Å; K645-M655 HydrophobicContact CG-SD 4.28Å
646	M	84.1	Confident	87	Confident	132 Å²	132	85.6 Å²	85.6	65%	0.65	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.4	177	-65.1	-56.5	-66.3	0	0	113.5	H642 S643 A644 L648	H642-M646 WeakPolarHBondContact O-CG 3.44Å; H642-M646 PolarHBondContact O-N 3.46Å; S643-M646 PolarHBondContact O-N 3.11Å; A644-M646 VanDerWaalsContact C-N 3.32Å; A644-M646 PolarHBondContact O-N 2.93Å; M646-L648 PolarHBondContact O-N 2.97Å
647	S	82.6	Confident	86.8	Confident	24 Å²	24	85.6 Å²	85.6	17%	0.168	43%	0.431	C	S	.	.			trans	-66.1	130.1	177.3	-174.9	0	0	0	0	111.3	S643 A644 K645 T649 K654	S643-S647 PolarHBondContact O-N 3.19Å; A644-S647 VanDerWaalsContact O-CB 3.26Å; A644-S647 WeakPolarHBondContact O-CB 3.35Å; A644-S647 PolarHBondContact O-N 3.31Å; K645-S647 VanDerWaalsContact C-N 3.34Å; S647-T649 PolarHBondContact OG-O 2.82Å; S647-K654 WeakPolarHBondContact OG-CD 3.01Å; S647-K654 PolarHBondContact OG-NZ 3.16Å
648	L	81.8	Confident	86.7	Confident	178 Å²	178	86.2 Å²	86.2	93%	0.932	44%	0.435	S	S	*	.	S	Bend	trans	-74.6	-32.3	174.8	-70	165.4	0	0	0	112.2	M646	M646-L648 PolarHBondContact O-N 2.97Å
649	T	82.8	Confident	86.6	Confident	88 Å²	88	85.4 Å²	85.4	54%	0.54	43%	0.428	S	S	.	.	S	Bend	trans	-105.3	139.5	178.5	54.4	0	0	0	0	111.5	S647 R651 K654	S647-T649 PolarHBondContact OG-O 2.82Å; T649-R651 PolarHBondContact O-N 3.42Å; T649-R651 VanDerWaalsContact O-N 3.09Å; T649-K654 PolarHBondContact O-NZ 3.3Å; T649-K654 PolarHBondContact OG1-NZ 3.33Å
650	D	82	Confident	86.4	Confident	103 Å²	103	81 Å²	81	55%	0.551	42%	0.416	S	S	*	.	S	Bend	trans	49.1	38.5	173.4	-47.8	-39.4	0	0	0	114.1	V652 E653 K654	D650-V652 VanDerWaalsContact C-N 3.29Å; D650-V652 PolarHBondContact O-N 2.91Å; D650-E653 HydrophobicContact CB-CB 4.48Å; D650-E653 PolarHBondContact O-N 2.88Å; D650-K654 WeakPolarHBondContact O-CB 3.49Å; D650-K654 WeakPolarHBondContact O-CG 3.48Å; D650-K654 PolarHBondContact O-N 2.75Å
651	R	81.2	Confident	86.3	Confident	117 Å²	117	78 Å²	78	44%	0.442	41%	0.413	S	S	.	.	H	α-helix	trans	-52.9	-46	-176.1	176.8	174.7	165.6	-176.6	-5.2	112.3	K645 T649 M655	K645-R651 WeakPolarHBondContact O-CD 3.39Å; K645-R651 PolarHBondContact O-NE 3.04Å; K645-R651 VanDerWaalsContact O-NE 3.16Å; T649-R651 PolarHBondContact O-N 3.42Å; T649-R651 VanDerWaalsContact O-N 3.09Å; R651-M655 HydrophobicContact CG-CG 4.4Å; R651-M655 HydrophobicContact CG-SD 3.64Å; R651-M655 WeakPolarHBondContact O-CB 3.36Å; R651-M655 WeakPolarHBondContact O-CG 3.35Å; R651-M655 PolarHBondContact O-N 3.17Å
652	V	81.9	Confident	86.3	Confident	97 Å²	97	76.7 Å²	76.7	59%	0.588	41%	0.408	S	S	*	.	H	α-helix	trans	-64.5	-47.6	-177	179.4	0	0	0	0	111	D650 M655 Q656	D650-V652 VanDerWaalsContact C-N 3.29Å; D650-V652 PolarHBondContact O-N 2.91Å; V652-M655 PolarHBondContact O-N 3.42Å; V652-Q656 WeakPolarHBondContact O-CG 3.37Å; V652-Q656 PolarHBondContact O-N 2.88Å
653	E	86.1	Confident	86.4	Confident	135 Å²	135	71.8 Å²	71.8	63%	0.631	39%	0.385	S	S	*	.	H	α-helix	trans	-65.8	-43	179.8	-64.2	-174.8	172.6	0	0	112.1	D650 M655 Q656 S657	D650-E653 HydrophobicContact CB-CB 4.48Å; D650-E653 PolarHBondContact O-N 2.88Å; E653-M655 VanDerWaalsContact C-N 3.32Å; E653-M655 PolarHBondContact O-N 3.38Å; E653-Q656 PolarHBondContact O-N 2.86Å; E653-S657 PolarHBondContact O-N 3.2Å
654	K	89	Confident	86.4	Confident	79 Å²	79	71 Å²	71	34%	0.343	38%	0.377	S	S	.	.	H	α-helix	trans	-62.8	-39	175.2	-71.4	177	-174.5	171.2	0	112.1	A644 S647 T649 D650 S657 V658	A644-K654 HydrophobicContact CB-CB 3.91Å; S647-K654 WeakPolarHBondContact OG-CD 3.01Å; S647-K654 PolarHBondContact OG-NZ 3.16Å; T649-K654 PolarHBondContact O-NZ 3.3Å; T649-K654 PolarHBondContact OG1-NZ 3.33Å; D650-K654 WeakPolarHBondContact O-CB 3.49Å; D650-K654 WeakPolarHBondContact O-CG 3.48Å; D650-K654 PolarHBondContact O-N 2.75Å; K654-S657 PolarHBondContact O-OG 3.21Å; K654-V658 WeakPolarHBondContact O-CG2 3.27Å; K654-V658 PolarHBondContact O-N 3.06Å
655	M	86.7	Confident	86.6	Confident	31 Å²	31	77.2 Å²	77.2	15%	0.153	41%	0.41	C	S	.	.	H	α-helix	trans	-66.2	-42.9	175.6	-73.8	173	68.2	0	0	110.9	Y641 A644 K645 R651 V652 E653 V658 V659	Y641-M655 HydrophobicContact CE1-CE 4.1Å; Y641-M655 HydrophobicContact CE2-CB 4.11Å; Y641-M655 HydrophobicContact CE2-CE 3.88Å; Y641-M655 HydrophobicContact CE2-CG 4.31Å; Y641-M655 VanDerWaalsContact CZ-CE 3.41Å; Y641-M655 WeakPolarHBondContact OH-CE 2.99Å; A644-M655 HydrophobicContact CB-CG 3.89Å; K645-M655 HydrophobicContact CB-SD 4.21Å; K645-M655 HydrophobicContact CG-CE 4.39Å; K645-M655 HydrophobicContact CG-SD 4.28Å; R651-M655 HydrophobicContact CG-CG 4.4Å; R651-M655 HydrophobicContact CG-SD 3.64Å; R651-M655 WeakPolarHBondContact O-CB 3.36Å; R651-M655 WeakPolarHBondContact O-CG 3.35Å; R651-M655 PolarHBondContact O-N 3.17Å; V652-M655 PolarHBondContact O-N 3.42Å; E653-M655 VanDerWaalsContact C-N 3.32Å; E653-M655 PolarHBondContact O-N 3.38Å; M655-V658 PolarHBondContact O-N 3.39Å; M655-V659 WeakPolarHBondContact O-CG2 3.35Å; M655-V659 PolarHBondContact O-N 2.94Å
656	Q	87.5	Confident	87.1	Confident	104 Å²	104	72.5 Å²	72.5	49%	0.486	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-40.2	176.9	-74.7	178.6	-5	0	0	112.4	V652 E653 V658 V659 A660	V652-Q656 WeakPolarHBondContact O-CG 3.37Å; V652-Q656 PolarHBondContact O-N 2.88Å; E653-Q656 PolarHBondContact O-N 2.86Å; Q656-V658 VanDerWaalsContact C-N 3.33Å; Q656-V658 PolarHBondContact O-N 2.82Å; Q656-V659 PolarHBondContact O-N 3.04Å; Q656-A660 WeakPolarHBondContact O-CB 3.47Å; Q656-A660 PolarHBondContact O-N 3.33Å
657	S	89.1	Confident	87.6	Confident	71 Å²	71	69.9 Å²	69.9	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-65.4	-36.6	178.5	70.9	0	0	0	0	112.4	E653 K654 A660	E653-S657 PolarHBondContact O-N 3.2Å; K654-S657 PolarHBondContact O-OG 3.21Å; S657-A660 PolarHBondContact O-N 3.4Å
658	V	91.1	Very high	88.1	Confident	18 Å²	18	69.7 Å²	69.7	11%	0.109	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-44.3	172.8	175.6	0	0	0	0	110.7	F637 R640 Y641 A644 K654 M655 Q656 A660 T661	F637-V658 HydrophobicContact CD2-CG1 3.84Å; F637-V658 HydrophobicContact CE2-CG1 3.61Å; F637-V658 HydrophobicContact CZ-CG1 4.38Å; R640-V658 HydrophobicContact CB-CG1 3.9Å; R640-V658 HydrophobicContact CB-CG2 4.14Å; Y641-V658 HydrophobicContact CD2-CG1 4.31Å; A644-V658 HydrophobicContact CB-CG2 4.17Å; K654-V658 WeakPolarHBondContact O-CG2 3.27Å; K654-V658 PolarHBondContact O-N 3.06Å; M655-V658 PolarHBondContact O-N 3.39Å; Q656-V658 VanDerWaalsContact C-N 3.33Å; Q656-V658 PolarHBondContact O-N 2.82Å; V658-A660 VanDerWaalsContact C-N 3.31Å; V658-A660 PolarHBondContact O-N 3.43Å; V658-T661 WeakPolarHBondContact O-CB 3.24Å; V658-T661 PolarHBondContact O-N 3.35Å; V658-T661 VanDerWaalsContact O-N 3.15Å; V658-T661 PolarHBondContact O-OG1 2.99Å
659	V	90.6	Very high	88.7	Confident	13 Å²	13	62.1 Å²	62.1	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-60.6	-40.7	176.4	174.4	0	0	0	0	111.4	F565 F637 Y641 M655 Q656 T661 L662 E663	F565-V659 HydrophobicContact CD1-CG2 3.77Å; F565-V659 HydrophobicContact CD2-CG1 4.47Å; F565-V659 HydrophobicContact CE1-CG2 3.54Å; F565-V659 HydrophobicContact CG-CG1 4.44Å; F565-V659 HydrophobicContact CG-CG2 4.4Å; F565-V659 HydrophobicContact CZ-CG2 3.98Å; F637-V659 HydrophobicContact CZ-CG2 4.34Å; Y641-V659 HydrophobicContact CD2-CG2 4.19Å; Y641-V659 HydrophobicContact CE2-CG2 3.83Å; M655-V659 WeakPolarHBondContact O-CG2 3.35Å; M655-V659 PolarHBondContact O-N 2.94Å; Q656-V659 PolarHBondContact O-N 3.04Å; V659-T661 PolarHBondContact O-N 3.4Å; V659-T661 VanDerWaalsContact O-N 3.08Å; V659-L662 PolarHBondContact O-N 2.91Å; V659-E663 HydrophobicContact CG1-CG 4.28Å; V659-E663 PolarHBondContact O-N 3.31Å
660	A	89.1	Confident	89.2	Confident	43 Å²	43	57.9 Å²	57.9	36%	0.355	31%	0.307	S	S	.	.	H	α-helix	trans	-58.4	-23.9	177.7	0	0	0	0	0	113.5	Q656 S657 V658 L662 E663	Q656-A660 WeakPolarHBondContact O-CB 3.47Å; Q656-A660 PolarHBondContact O-N 3.33Å; S657-A660 PolarHBondContact O-N 3.4Å; V658-A660 VanDerWaalsContact C-N 3.31Å; V658-A660 PolarHBondContact O-N 3.43Å; A660-L662 VanDerWaalsContact C-N 3.3Å; A660-L662 PolarHBondContact O-N 3.32Å; A660-E663 PolarHBondContact O-N 2.86Å
661	T	90.3	Very high	89.8	Confident	66 Å²	66	53 Å²	53	41%	0.405	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-31.3	174.9	68.9	0	0	0	0	113.1	V658 V659 T664	V658-T661 WeakPolarHBondContact O-CB 3.24Å; V658-T661 PolarHBondContact O-N 3.35Å; V658-T661 VanDerWaalsContact O-N 3.15Å; V658-T661 PolarHBondContact O-OG1 2.99Å; V659-T661 PolarHBondContact O-N 3.4Å; V659-T661 VanDerWaalsContact O-N 3.08Å; T661-T664 PolarHBondContact O-OG1 2.88Å; T661-T664 VanDerWaalsContact O-OG1 3.05Å
662	L	90.1	Very high	90.5	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-79.2	-31.3	174.5	-66.1	-178.7	0	0	0	111.9	I577 F588 R627 L629 F637 V659 A660 T664 L666	I577-L662 HydrophobicContact CD1-CD1 3.65Å; I577-L662 HydrophobicContact CG1-CD1 4.49Å; F588-L662 HydrophobicContact CD1-CB 3.9Å; F588-L662 HydrophobicContact CE1-CB 3.62Å; F588-L662 HydrophobicContact CZ-CB 4.17Å; R627-L662 PolarHBondContact NH1-O 3.03Å; R627-L662 VanDerWaalsContact NH1-O 3.14Å; L629-L662 HydrophobicContact CD1-CD1 4.49Å; L629-L662 HydrophobicContact CD1-CD2 4.02Å; L629-L662 HydrophobicContact CD2-CD2 3.91Å; F637-L662 HydrophobicContact CD1-CD1 4.01Å; F637-L662 HydrophobicContact CD2-CD1 3.46Å; F637-L662 VanDerWaalsContact CD2-CD1 3.46Å; F637-L662 HydrophobicContact CD2-CD2 4.05Å; F637-L662 HydrophobicContact CD2-CG 3.54Å; F637-L662 HydrophobicContact CE1-CD1 3.92Å; F637-L662 HydrophobicContact CE2-CD1 3.33Å; F637-L662 HydrophobicContact CE2-CG 3.67Å; F637-L662 HydrophobicContact CG-CD1 3.8Å; F637-L662 HydrophobicContact CG-CD2 4.34Å; F637-L662 HydrophobicContact CG-CG 4.18Å; F637-L662 HydrophobicContact CZ-CD1 3.59Å; F637-L662 HydrophobicContact CZ-CG 4.42Å; V659-L662 PolarHBondContact O-N 2.91Å; A660-L662 VanDerWaalsContact C-N 3.3Å; A660-L662 PolarHBondContact O-N 3.32Å; L662-T664 PolarHBondContact O-N 3.44Å; L662-L666 WeakPolarHBondContact O-CD2 3.22Å
663	E	90.4	Very high	91	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.047	23%	0.232	C	C	.	.	S	Bend	trans	-79.2	43.4	-177.5	-59.4	177.9	146.1	0	0	112.8	R573 F588 L600 V659 A660	R573-E663 WeakPolarHBondContact CD-OE1 3.34Å; R573-E663 IonicContact CZ-OE1 3.81Å; R573-E663 IonicContact CZ-OE2 3.33Å; R573-E663 VanDerWaalsContact CZ-OE2 3.31Å; R573-E663 VanDerWaalsContact NE-CD 3.25Å; R573-E663 IonicContact NE-OE1 3.81Å; R573-E663 PolarHBondContact NE-OE1 2.85Å; R573-E663 IonicContact NE-OE2 2.91Å; R573-E663 PolarHBondContact NE-OE2 2.78Å; R573-E663 IonicContact NH2-OE1 3.57Å; R573-E663 IonicContact NH2-OE2 2.82Å; R573-E663 PolarHBondContact NH2-OE2 2.92Å; F588-E663 HydrophobicContact CE1-CG 4.13Å; F588-E663 HydrophobicContact CZ-CG 4.14Å; L600-E663 HydrophobicContact CD1-CB 4.36Å; L600-E663 HydrophobicContact CD2-CB 4.19Å; L600-E663 WeakPolarHBondContact CD2-O 3.36Å; V659-E663 HydrophobicContact CG1-CG 4.28Å; V659-E663 PolarHBondContact O-N 3.31Å; A660-E663 PolarHBondContact O-N 2.86Å
664	T	89.5	Confident	91.3	Very high	66 Å²	66	36.4 Å²	36.4	41%	0.405	20%	0.202	S	C	.	.	S	Bend	trans	-126.4	136	177.4	50.2	0	0	0	0	110.2	R627 T661 L662 L666	R627-T664 PolarHBondContact NH1-O 3.39Å; R627-T664 VanDerWaalsContact NH1-O 3.11Å; R627-T664 PolarHBondContact NH1-OG1 3.2Å; R627-T664 VanDerWaalsContact NH1-OG1 3.11Å; T661-T664 PolarHBondContact O-OG1 2.88Å; T661-T664 VanDerWaalsContact O-OG1 3.05Å; L662-T664 PolarHBondContact O-N 3.44Å; T664-L666 VanDerWaalsContact C-N 3.31Å; T664-L666 PolarHBondContact O-N 3.47Å
665	N	89.7	Confident	91.4	Very high	139 Å²	139	34.1 Å²	34.1	74%	0.743	19%	0.193	S	C	*	.	S	Bend	trans	51.2	44.6	177.8	-62.5	-36.9	0	0	0	113.6	L600	L600-N665 PolarHBondContact O-N 3.26Å
666	L	93.8	Very high	91.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-70.1	138.6	178.8	-58.1	173.7	0	0	0	111	F588 V590 M597 L600 V601 S602 A625 R627 L662 T664 V668	F588-L666 HydrophobicContact CD1-CD2 4.01Å; F588-L666 HydrophobicContact CE1-CD2 4.15Å; V590-L666 HydrophobicContact CB-CD1 4Å; V590-L666 HydrophobicContact CG1-CD1 4.39Å; V590-L666 HydrophobicContact CG2-CD1 3.83Å; M597-L666 HydrophobicContact CE-CD1 4.43Å; L600-L666 HydrophobicContact CB-CD1 4.34Å; L600-L666 PolarHBondContact O-N 3.12Å; L600-L666 VanDerWaalsContact O-N 3.15Å; V601-L666 WeakPolarHBondContact CA-O 3.28Å; V601-L666 HydrophobicContact CG1-CB 4.27Å; S602-L666 PolarHBondContact N-O 3.38Å; S602-L666 PolarHBondContact OG-O 3.12Å; A625-L666 HydrophobicContact CB-CB 3.77Å; A625-L666 HydrophobicContact CB-CD1 4.38Å; R627-L666 HydrophobicContact CB-CD2 3.71Å; L662-L666 WeakPolarHBondContact O-CD2 3.22Å; T664-L666 VanDerWaalsContact C-N 3.31Å; T664-L666 PolarHBondContact O-N 3.47Å; L666-V668 PolarHBondContact O-N 2.92Å
667	E	93.6	Very high	91.7	Very high	77 Å²	77	31.5 Å²	31.5	36%	0.36	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	118.6	175.1	-175.8	-177.3	174.7	0	0	109.6	R464 A625 S626 L669	R464-E667 IonicContact CZ-OE1 2.83Å; R464-E667 IonicContact CZ-OE2 3.7Å; R464-E667 IonicContact NH1-OE1 2.68Å; R464-E667 PolarHBondContact NH1-OE1 2.95Å; R464-E667 IonicContact NH1-OE2 3.51Å; R464-E667 IonicContact NH2-OE1 3.89Å; R464-E667 PolarHBondContact NH2-OE1 3.42Å; R464-E667 IonicContact NH2-OE2 3.57Å; R464-E667 PolarHBondContact NH2-OE2 3.1Å; A625-E667 CarbonylContact C-O 3.56Å; A625-E667 WeakPolarHBondContact CA-O 3.25Å; A625-E667 WeakPolarHBondContact CB-O 3.45Å; S626-E667 PolarHBondContact N-O 3.04Å; S626-E667 PolarHBondContact O-N 2.89Å; E667-L669 PolarHBondContact O-N 2.98Å
668	V	94	Very high	91.8	Very high	19 Å²	19	29 Å²	29	12%	0.115	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	119.9	175.2	-176.9	0	0	0	0	109.5	V601 V604 W606 L607 V623 L666	V601-V668 HydrophobicContact CB-CG2 3.54Å; V601-V668 HydrophobicContact CG1-CG2 3.92Å; V601-V668 HydrophobicContact CG2-CG2 3.69Å; V604-V668 HydrophobicContact CG2-CB 4.33Å; V604-V668 HydrophobicContact CG2-CG2 4.02Å; W606-V668 HydrophobicContact CH2-CG1 4.04Å; W606-V668 HydrophobicContact CZ2-CG1 4.1Å; L607-V668 HydrophobicContact CD1-CG1 4.49Å; L607-V668 HydrophobicContact CD2-CG2 4.28Å; V623-V668 HydrophobicContact CG1-CG1 4.17Å; L666-V668 PolarHBondContact O-N 2.92Å
669	L	93.6	Very high	91.8	Very high	19 Å²	19	29.4 Å²	29.4	10%	0.099	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-51.4	175.9	-64.7	-177.3	0	0	0	111	A476 Y589 V624 E667	A476-L669 HydrophobicContact CB-CD1 3.45Å; A476-L669 VanDerWaalsContact CB-CD1 3.45Å; Y589-L669 HydrophobicContact CD1-CD1 4.29Å; Y589-L669 HydrophobicContact CE1-CD1 4.05Å; V624-L669 PolarHBondContact O-N 3.46Å; E667-L669 PolarHBondContact O-N 2.98Å
670	C	94.3	Very high	91.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	163.3	-178.7	66.2	0	0	0	0	112.6	L422 H423 L424 A473 V624	L422-C670 HydrophobicContact CD1-CB 3.76Å; H423-C670 CarbonylContact O-C 3.57Å; H423-C670 VanDerWaalsContact O-CA 3.22Å; H423-C670 WeakPolarHBondContact O-CA 3.39Å; H423-C670 WeakPolarHBondContact O-CB 3.4Å; L424-C670 HydrophobicContact CD2-CB 3.58Å; A473-C670 HydrophobicContact CB-CB 3.79Å; V624-C670 PolarHBondContact N-O 2.91Å; V624-C670 PolarHBondContact O-N 3.28Å
671	L	94.9	Very high	92	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.2	168.3	169.5	71.7	0	0	0	108.5	H423 W606 L607 E610 A611 L614 T621 V623	H423-L671 HydrophobicContact CB-CB 4.13Å; H423-L671 PolarHBondContact N-O 2.79Å; H423-L671 PolarHBondContact O-N 2.91Å; W606-L671 HydrophobicContact CH2-CB 4.38Å; W606-L671 HydrophobicContact CZ3-CB 4.04Å; W606-L671 HydrophobicContact CZ3-CD2 4.43Å; L607-L671 HydrophobicContact CD1-CB 4.44Å; E610-L671 HydrophobicContact CB-CD2 4.11Å; A611-L671 HydrophobicContact CB-CD1 4.46Å; A611-L671 HydrophobicContact CB-CD2 4.13Å; L614-L671 HydrophobicContact CD1-CD2 3.6Å; L614-L671 HydrophobicContact CD1-CG 3.73Å; T621-L671 HydrophobicContact CG2-CD1 4.23Å; V623-L671 HydrophobicContact CG2-CD1 3.94Å
672	T	94.2	Very high	92.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	142.4	-177.3	63.9	0	0	0	0	110.7	F419 L422 I477 L528 T621 L622 V624	F419-T672 HydrophobicContact CE2-CG2 3.62Å; F419-T672 HydrophobicContact CZ-CG2 4.06Å; L422-T672 HydrophobicContact CD1-CG2 4.2Å; I477-T672 HydrophobicContact CD1-CG2 3.7Å; I477-T672 HydrophobicContact CG1-CG2 4.29Å; L528-T672 HydrophobicContact CD2-CG2 4.29Å; T621-T672 WeakPolarHBondContact CA-O 3.4Å; L622-T672 WeakPolarHBondContact CB-OG1 3.39Å; L622-T672 PolarHBondContact N-O 2.95Å; L622-T672 PolarHBondContact O-N 2.88Å; L622-T672 PolarHBondContact O-OG1 2.64Å; V624-T672 HydrophobicContact CG2-CG2 4.15Å
673	G	93.5	Very high	92.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.2	176.2	0	0	0	0	0	110.7	K420 K421 R620	K420-G673 PolarHBondContact N-O 3.33Å; K421-G673 PolarHBondContact N-O 3.42Å; K421-G673 PolarHBondContact O-N 3.43Å; R620-G673 WeakPolarHBondContact O-CA 3.34Å
674	V	92.3	Very high	92.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.9	177.4	-174.2	0	0	0	0	109.6	M417 F419 A527 L528 R620	M417-V674 HydrophobicContact CB-CG1 4.17Å; M417-V674 HydrophobicContact CE-CG1 3.92Å; F419-V674 HydrophobicContact CD2-CG2 4.42Å; A527-V674 HydrophobicContact CB-CG1 4.26Å; L528-V674 HydrophobicContact CD2-CG2 4.44Å; R620-V674 HydrophobicContact CB-CB 4.5Å; R620-V674 PolarHBondContact N-O 3.49Å; R620-V674 PolarHBondContact O-N 3.13Å
675	E	90.9	Very high	92.8	Very high	31 Å²	31	34.1 Å²	34.1	15%	0.145	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.6	177	-169.3	177.5	-165.3	0	0	110.5	M417 V418 K420 L619 K677 R683	M417-E675 WeakPolarHBondContact CA-O 3.49Å; V418-E675 PolarHBondContact N-O 2.95Å; V418-E675 PolarHBondContact O-N 2.87Å; K420-E675 WeakPolarHBondContact CE-OE2 3.43Å; K420-E675 HydrophobicContact CG-CB 3.65Å; L619-E675 HydrophobicContact CD2-CB 3.62Å; L619-E675 HydrophobicContact CD2-CG 4.15Å; E675-K677 PolarHBondContact O-N 3.27Å; E675-R683 IonicContact OE1-NH2 3.64Å
676	D	89.4	Confident	93.1	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.037	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	105.5	160.2	-170	-9.6	0	0	0	107.8	K408 T413 M417 L678 I710	K408-D676 VanDerWaalsContact CE-OD2 3.23Å; K408-D676 WeakPolarHBondContact CE-OD2 3.42Å; K408-D676 IonicContact NZ-OD2 2.68Å; K408-D676 PolarHBondContact NZ-OD2 3.39Å; T413-D676 VanDerWaalsContact CB-OD1 3.24Å; T413-D676 WeakPolarHBondContact CB-OD1 3.17Å; T413-D676 HydrophobicContact CG2-CB 4.34Å; T413-D676 PolarHBondContact OG1-OD1 3.32Å; M417-D676 HydrophobicContact CE-CB 4.07Å; M417-D676 VanDerWaalsContact SD-CA 3.6Å; M417-D676 HydrophobicContact SD-CB 3.49Å; M417-D676 WeakPolarHBondContact SD-CB 3.46Å; D676-L678 PolarHBondContact O-N 2.99Å; D676-I710 HydrophobicContact CB-CD1 4.36Å; D676-I710 HydrophobicContact CB-CG1 4.42Å
677	K	90.5	Very high	93	Very high	74 Å²	74	31.1 Å²	31.1	32%	0.322	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	127.7	-169.8	-175.6	-179.6	172.6	-171.8	0	111	T413 Q414 E416 V418 E675	T413-K677 CarbonylContact C-O 3.44Å; T413-K677 WeakPolarHBondContact CA-O 3.48Å; Q414-K677 HydrophobicContact CG-CG 4.47Å; Q414-K677 PolarHBondContact N-O 3.28Å; E416-K677 HydrophobicContact CB-CB 4.36Å; E416-K677 WeakPolarHBondContact O-CB 3.4Å; E416-K677 PolarHBondContact O-N 2.86Å; E416-K677 IonicContact OE1-NZ 3.22Å; E416-K677 VanDerWaalsContact OE2-CD 3.32Å; E416-K677 WeakPolarHBondContact OE2-CD 3.33Å; E416-K677 IonicContact OE2-NZ 2.88Å; E416-K677 PolarHBondContact OE2-NZ 3.48Å; V418-K677 HydrophobicContact CG2-CB 4.49Å; V418-K677 HydrophobicContact CG2-CD 4.49Å; E675-K677 PolarHBondContact O-N 3.27Å
678	L	92.4	Very high	93	Very high	17 Å²	17	28.3 Å²	28.3	9%	0.089	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	152.7	178.2	-64.3	166.9	0	0	0	112.1	L412 T413 Q414 D676 R683 S713	L412-L678 WeakPolarHBondContact O-CA 3.35Å; T413-L678 HydrophobicContact CG2-CD2 4.09Å; Q414-L678 WeakPolarHBondContact CG-O 3.25Å; Q414-L678 PolarHBondContact NE2-O 3.33Å; D676-L678 PolarHBondContact O-N 2.99Å; L678-R683 HydrophobicContact CD1-CG 4.17Å; L678-S713 VanDerWaalsContact CD1-O 3.25Å; L678-S713 WeakPolarHBondContact CD1-O 3.48Å
679	Q	91.3	Very high	93	Very high	28 Å²	28	27.4 Å²	27.4	13%	0.131	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-63.2	154.8	166.6	-67	-167.7	6.5	0	0	111.3	G410 T411 L412 Q414 G681 V682	G410-Q679 PolarHBondContact O-NE2 3.46Å; T411-Q679 PolarHBondContact O-NE2 2.98Å; T411-Q679 PolarHBondContact O-OE1 2.97Å; L412-Q679 PolarHBondContact O-N 2.93Å; Q414-Q679 HydrophobicContact CG-CG 4.15Å; Q679-G681 PolarHBondContact O-N 3.29Å; Q679-V682 HydrophobicContact CB-CG2 3.6Å; Q679-V682 VanDerWaalsContact O-CG2 3.3Å; Q679-V682 WeakPolarHBondContact O-CG2 3.3Å; Q679-V682 PolarHBondContact O-N 3.36Å
680	D	90.9	Very high	93	Very high	88 Å²	88	32.2 Å²	32.2	47%	0.471	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	131.3	179.2	-56.7	-31.5	0	0	0	111.5	V682	D680-V682 VanDerWaalsContact C-N 3.26Å; D680-V682 PolarHBondContact O-N 3.42Å
681	G	92.1	Very high	92.9	Very high	33 Å²	33	36.1 Å²	36.1	34%	0.34	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	11.2	174.9	0	0	0	0	0	115.3	Q679 P684 A685	Q679-G681 PolarHBondContact O-N 3.29Å; G681-P684 WeakPolarHBondContact O-CD 3.32Å; G681-A685 WeakPolarHBondContact O-CB 3.43Å; G681-A685 PolarHBondContact O-N 2.98Å; G681-A685 VanDerWaalsContact O-N 3.11Å
682	V	94.9	Very high	92.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-44.6	176	168.9	0	0	0	0	112.1	L412 Q679 D680 A685 L686 F844	L412-V682 HydrophobicContact CD2-CG1 3.81Å; Q679-V682 HydrophobicContact CB-CG2 3.6Å; Q679-V682 VanDerWaalsContact O-CG2 3.3Å; Q679-V682 WeakPolarHBondContact O-CG2 3.3Å; Q679-V682 PolarHBondContact O-N 3.36Å; D680-V682 VanDerWaalsContact C-N 3.26Å; D680-V682 PolarHBondContact O-N 3.42Å; V682-A685 PolarHBondContact O-N 2.86Å; V682-L686 HydrophobicContact CG1-CD1 3.77Å; V682-L686 HydrophobicContact CG1-CG 4.26Å; V682-L686 WeakPolarHBondContact O-CG 3.29Å; V682-L686 PolarHBondContact O-N 3.19Å; V682-F844 HydrophobicContact CB-CD1 4.49Å; V682-F844 HydrophobicContact CG1-CD1 4.45Å; V682-F844 HydrophobicContact CG2-CB 4.01Å; V682-F844 HydrophobicContact CG2-CD1 4.05Å; V682-F844 HydrophobicContact CG2-CG 4.24Å
683	R	93.4	Very high	92.7	Very high	96 Å²	96	37.1 Å²	37.1	36%	0.362	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-54.7	-177.4	-52.8	173.7	174	164.4	4	112.1	E675 L678 A685 L686 E687 S713 R715	E675-R683 IonicContact OE1-NH2 3.64Å; L678-R683 HydrophobicContact CD1-CG 4.17Å; R683-A685 PolarHBondContact O-N 2.96Å; R683-L686 PolarHBondContact O-N 3.36Å; R683-E687 WeakPolarHBondContact O-CG 3.19Å; R683-E687 PolarHBondContact O-N 3.13Å; R683-E687 VanDerWaalsContact O-N 3.12Å; R683-S713 PolarHBondContact NE-O 3.25Å; R683-S713 PolarHBondContact NH2-O 3.47Å; R683-R715 HydrophobicContact CB-CB 4.44Å; R683-R715 HydrophobicContact CB-CG 4.02Å; R683-R715 HydrophobicContact CG-CG 4.07Å
684	P	94.3	Very high	92.7	Very high	83 Å²	83	37.3 Å²	37.3	54%	0.539	20%	0.196	S	C	.	.	H	α-helix	trans	-61.6	-32.7	176	-21.8	34.5	0	0	0	112.7	G681 A688	G681-P684 WeakPolarHBondContact O-CD 3.32Å; P684-A688 VanDerWaalsContact O-CB 3.3Å; P684-A688 WeakPolarHBondContact O-CB 3.19Å; P684-A688 PolarHBondContact O-N 3.01Å
685	A	94.8	Very high	92.7	Very high	4 Å²	4	41.4 Å²	41.4	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-47.9	178.9	0	0	0	0	0	112.5	G681 V682 R683 E687 A688 L689 F844 T848	G681-A685 WeakPolarHBondContact O-CB 3.43Å; G681-A685 PolarHBondContact O-N 2.98Å; G681-A685 VanDerWaalsContact O-N 3.11Å; V682-A685 PolarHBondContact O-N 2.86Å; R683-A685 PolarHBondContact O-N 2.96Å; A685-E687 VanDerWaalsContact C-N 3.34Å; A685-E687 PolarHBondContact O-N 2.97Å; A685-A688 PolarHBondContact O-N 3.14Å; A685-L689 WeakPolarHBondContact O-CG 3.28Å; A685-L689 PolarHBondContact O-N 3.33Å; A685-F844 HydrophobicContact CB-CD1 3.99Å; A685-F844 HydrophobicContact CB-CE1 3.95Å; A685-T848 VanDerWaalsContact CA-CG2 3.49Å; A685-T848 HydrophobicContact CB-CG2 3.61Å
686	L	94.9	Very high	92.9	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-39.8	177.4	-72.6	175.3	0	0	0	112	L412 V682 R683 L689 R690 V696 S714 L716 F844	L412-L686 HydrophobicContact CD2-CD1 4.27Å; V682-L686 HydrophobicContact CG1-CD1 3.77Å; V682-L686 HydrophobicContact CG1-CG 4.26Å; V682-L686 WeakPolarHBondContact O-CG 3.29Å; V682-L686 PolarHBondContact O-N 3.19Å; R683-L686 PolarHBondContact O-N 3.36Å; L686-L689 PolarHBondContact O-N 3.2Å; L686-R690 WeakPolarHBondContact O-CB 3.3Å; L686-R690 PolarHBondContact O-N 2.86Å; L686-V696 HydrophobicContact CD2-CB 4.44Å; L686-V696 HydrophobicContact CD2-CG1 3.92Å; L686-V696 HydrophobicContact CD2-CG2 4.12Å; L686-S714 WeakPolarHBondContact CD1-O 3.41Å; L686-L716 HydrophobicContact CD1-CB 4.23Å; L686-F844 HydrophobicContact CD2-CE1 3.8Å; L686-F844 HydrophobicContact CD2-CZ 3.6Å; L686-F844 HydrophobicContact CG-CE1 3.93Å; L686-F844 HydrophobicContact CG-CZ 4.23Å
687	E	92.7	Very high	93.2	Very high	72 Å²	72	40.2 Å²	40.2	34%	0.336	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-45.2	174.5	-71.8	174.8	175.6	0	0	111.8	R683 A685 L689 R690 N691 R715	R683-E687 WeakPolarHBondContact O-CG 3.19Å; R683-E687 PolarHBondContact O-N 3.13Å; R683-E687 VanDerWaalsContact O-N 3.12Å; A685-E687 VanDerWaalsContact C-N 3.34Å; A685-E687 PolarHBondContact O-N 2.97Å; E687-L689 PolarHBondContact O-N 2.8Å; E687-R690 PolarHBondContact O-N 2.8Å; E687-N691 WeakPolarHBondContact O-CB 3.45Å; E687-N691 PolarHBondContact O-N 2.64Å; E687-N691 PolarHBondContact O-ND2 3.47Å; E687-N691 PolarHBondContact O-OD1 3.46Å; E687-R715 HydrophobicContact CG-CB 4.47Å
688	A	93.6	Very high	93.4	Very high	17 Å²	17	36.7 Å²	36.7	14%	0.14	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-42	176.6	0	0	0	0	0	112.1	P684 A685 N691 A692 T848 L852 P930	P684-A688 VanDerWaalsContact O-CB 3.3Å; P684-A688 WeakPolarHBondContact O-CB 3.19Å; P684-A688 PolarHBondContact O-N 3.01Å; A685-A688 PolarHBondContact O-N 3.14Å; A688-N691 PolarHBondContact O-N 3.18Å; A688-A692 WeakPolarHBondContact O-CB 3.29Å; A688-A692 PolarHBondContact O-N 2.91Å; A688-T848 HydrophobicContact CB-CG2 4.09Å; A688-L852 HydrophobicContact CB-CD1 4.44Å; A688-P930 HydrophobicContact CB-CG 4.07Å; A688-P930 VanDerWaalsContact O-CB 3.25Å; A688-P930 WeakPolarHBondContact O-CB 3.42Å
689	L	94.8	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-41.8	176.3	-68	171.1	0	0	0	111.9	L404 A685 L686 E687 A692 G693 I694 V696 F844 V847 T848 L851	L404-L689 HydrophobicContact CD2-CD1 3.66Å; A685-L689 WeakPolarHBondContact O-CG 3.28Å; A685-L689 PolarHBondContact O-N 3.33Å; L686-L689 PolarHBondContact O-N 3.2Å; E687-L689 PolarHBondContact O-N 2.8Å; L689-A692 WeakPolarHBondContact O-CB 3.33Å; L689-A692 PolarHBondContact O-N 3.34Å; L689-G693 PolarHBondContact O-N 3.24Å; L689-I694 HydrophobicContact CB-CB 4.4Å; L689-I694 HydrophobicContact CD2-CD1 3.64Å; L689-I694 WeakPolarHBondContact O-CB 3.39Å; L689-I694 PolarHBondContact O-N 3.38Å; L689-V696 HydrophobicContact CB-CG2 4.42Å; L689-F844 HydrophobicContact CD1-CE1 4.43Å; L689-F844 HydrophobicContact CD1-CZ 4.31Å; L689-V847 HydrophobicContact CD1-CG1 4.27Å; L689-V847 HydrophobicContact CD2-CG1 4.36Å; L689-T848 HydrophobicContact CG-CG2 4.49Å; L689-L851 HydrophobicContact CD2-CD1 3.84Å
690	R	92.4	Very high	93.5	Very high	120 Å²	120	34.5 Å²	34.5	45%	0.453	18%	0.18	S	C	.	.	H	α-helix	trans	-61.6	-45.8	174.7	-173.2	-178.7	68.7	-178.3	-0.5	111.2	L686 E687 A692 G693	L686-R690 WeakPolarHBondContact O-CB 3.3Å; L686-R690 PolarHBondContact O-N 2.86Å; E687-R690 PolarHBondContact O-N 2.8Å; R690-A692 VanDerWaalsContact C-N 3.27Å; R690-A692 PolarHBondContact O-N 3.46Å; R690-G693 WeakPolarHBondContact O-CA 3.35Å; R690-G693 PolarHBondContact O-N 2.95Å
691	N	92.1	Very high	93.2	Very high	82 Å²	82	30.7 Å²	30.7	44%	0.439	16%	0.162	S	C	.	.	H	α-helix	trans	-65.4	-31	177.4	-66.2	-11.5	0	0	0	112	E687 A688 G693 P930	E687-N691 WeakPolarHBondContact O-CB 3.45Å; E687-N691 PolarHBondContact O-N 2.64Å; E687-N691 PolarHBondContact O-ND2 3.47Å; E687-N691 PolarHBondContact O-OD1 3.46Å; A688-N691 PolarHBondContact O-N 3.18Å; N691-G693 PolarHBondContact O-N 3.46Å; N691-P930 HydrophobicContact CB-CB 4.18Å; N691-P930 HydrophobicContact CB-CG 4.4Å
692	A	93	Very high	92.8	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-7.2	171.2	0	0	0	0	0	114	A688 L689 R690 I694 L852 P930 Y933 K934	A688-A692 WeakPolarHBondContact O-CB 3.29Å; A688-A692 PolarHBondContact O-N 2.91Å; L689-A692 WeakPolarHBondContact O-CB 3.33Å; L689-A692 PolarHBondContact O-N 3.34Å; R690-A692 VanDerWaalsContact C-N 3.27Å; R690-A692 PolarHBondContact O-N 3.46Å; A692-I694 HydrophobicContact CB-CD1 4.33Å; A692-I694 HydrophobicContact CB-CG1 4.42Å; A692-L852 HydrophobicContact CB-CD2 3.64Å; A692-P930 WeakPolarHBondContact CA-O 3.4Å; A692-P930 HydrophobicContact CB-CB 3.93Å; A692-Y933 HydrophobicContact CB-CD1 4.04Å; A692-Y933 HydrophobicContact CB-CG 4.25Å; A692-K934 WeakPolarHBondContact O-CA 3.3Å; A692-K934 WeakPolarHBondContact O-CB 3.21Å; A692-K934 PolarHBondContact O-N 3.31Å
693	G	91.8	Very high	92.2	Very high	22 Å²	22	32.7 Å²	32.7	23%	0.227	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	20.7	-175.9	0	0	0	0	0	113.3	L689 R690 N691 Q937	L689-G693 PolarHBondContact O-N 3.24Å; R690-G693 WeakPolarHBondContact O-CA 3.35Å; R690-G693 PolarHBondContact O-N 2.95Å; N691-G693 PolarHBondContact O-N 3.46Å; G693-Q937 PolarHBondContact O-NE2 2.95Å
694	I	94.5	Very high	91.8	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.021	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-90.8	126.7	172.3	-59.8	166.7	0	0	0	108.1	I401 C402 L404 L689 A692 L851 Y933	I401-I694 HydrophobicContact CG2-CG2 4.49Å; C402-I694 WeakPolarHBondContact O-CA 3.15Å; L404-I694 HydrophobicContact CB-CG2 3.84Å; L689-I694 HydrophobicContact CB-CB 4.4Å; L689-I694 HydrophobicContact CD2-CD1 3.64Å; L689-I694 WeakPolarHBondContact O-CB 3.39Å; L689-I694 PolarHBondContact O-N 3.38Å; A692-I694 HydrophobicContact CB-CD1 4.33Å; A692-I694 HydrophobicContact CB-CG1 4.42Å; I694-L851 HydrophobicContact CD1-CD1 3.95Å; I694-Y933 HydrophobicContact CD1-CD1 4.15Å; I694-Y933 HydrophobicContact CD1-CE1 3.7Å; I694-Y933 HydrophobicContact CG1-CD1 4.24Å; I694-Y933 HydrophobicContact CG1-CE1 3.82Å
695	R	93	Very high	91.2	Very high	85 Å²	85	30 Å²	30	32%	0.321	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.8	177.2	-69.5	177.1	173.3	179.4	-17.7	109.7	C402 Y403 L404 R773	C402-R695 PolarHBondContact O-N 3.4Å; Y403-R695 CarbonylContact C-O 3.39Å; Y403-R695 VanDerWaalsContact CA-O 3.31Å; Y403-R695 WeakPolarHBondContact CA-O 3.29Å; Y403-R695 HydrophobicContact CD1-CB 3.77Å; Y403-R695 HydrophobicContact CE1-CB 4.04Å; L404-R695 PolarHBondContact N-O 3.48Å; R695-R773 PolarHBondContact NH1-O 3.43Å; R695-R773 PolarHBondContact NH2-O 3.06Å
696	V	94.3	Very high	90.6	Very high	8 Å²	8	30.8 Å²	30.8	5%	0.048	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.2	-177.6	-173.8	0	0	0	0	109.3	L404 L686 L689 L716	L404-V696 HydrophobicContact CB-CG2 4.34Å; L404-V696 HydrophobicContact CD2-CG2 4.37Å; L404-V696 CarbonylContact O-C 3.54Å; L404-V696 VanDerWaalsContact O-CA 3.29Å; L404-V696 WeakPolarHBondContact O-CA 3.47Å; L686-V696 HydrophobicContact CD2-CB 4.44Å; L686-V696 HydrophobicContact CD2-CG1 3.92Å; L686-V696 HydrophobicContact CD2-CG2 4.12Å; L689-V696 HydrophobicContact CB-CG2 4.42Å; V696-L716 HydrophobicContact CB-CD1 3.59Å; V696-L716 HydrophobicContact CG1-CD1 3.68Å
697	W	95.5	Very high	90.3	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.5	171.3	-68.8	22.3	0	0	0	108.2	L404 M405 S406 A772 V778 I791 L795	L404-W697 PolarHBondContact O-N 3.36Å; M405-W697 CarbonylContact C-O 3.52Å; M405-W697 WeakPolarHBondContact CA-O 3.31Å; M405-W697 HydrophobicContact CE-CB 3.56Å; M405-W697 HydrophobicContact CE-CD2 4Å; M405-W697 HydrophobicContact CE-CG 3.55Å; M405-W697 HydrophobicContact SD-CB 3.61Å; M405-W697 HydrophobicContact SD-CD2 4.15Å; M405-W697 HydrophobicContact SD-CE3 4.12Å; M405-W697 HydrophobicContact SD-CG 3.97Å; S406-W697 PolarHBondContact N-O 3.31Å; W697-A772 HydrophobicContact CH2-CB 3.61Å; W697-A772 HydrophobicContact CZ2-CB 3.78Å; W697-V778 CarbonylContact C-O 3.48Å; W697-V778 WeakPolarHBondContact CA-O 3.49Å; W697-V778 HydrophobicContact CB-CB 4.43Å; W697-V778 HydrophobicContact CD2-CB 3.64Å; W697-V778 HydrophobicContact CD2-CG1 4.05Å; W697-V778 HydrophobicContact CD2-CG2 4.03Å; W697-V778 HydrophobicContact CE3-CB 4.11Å; W697-V778 HydrophobicContact CE3-CG1 3.98Å; W697-V778 HydrophobicContact CG-CB 3.79Å; W697-V778 HydrophobicContact CG-CG2 4.37Å; W697-V778 HydrophobicContact CH2-CG1 4.45Å; W697-V778 HydrophobicContact CH2-CG2 4.41Å; W697-V778 HydrophobicContact CZ2-CB 4.24Å; W697-V778 HydrophobicContact CZ2-CG2 3.74Å; W697-V778 HydrophobicContact CZ3-CG1 4.18Å; W697-I791 HydrophobicContact CE3-CG2 4.16Å; W697-I791 HydrophobicContact CZ3-CG2 4.1Å; W697-L795 HydrophobicContact CH2-CD1 4.33Å; W697-L795 HydrophobicContact CZ2-CD1 4.37Å
698	M	95.4	Very high	90.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	123.6	175.5	-176.5	173	70.8	0	0	109.3	S406 K408 L412 A707 I710 A711 L716 V778 V779 V780	S406-M698 CarbonylContact O-C 3.54Å; S406-M698 WeakPolarHBondContact O-CA 3.36Å; K408-M698 HydrophobicContact CB-CG 4.22Å; K408-M698 HydrophobicContact CB-SD 4.01Å; K408-M698 HydrophobicContact CG-SD 4.17Å; L412-M698 HydrophobicContact CD1-CG 4.28Å; L412-M698 HydrophobicContact CD1-SD 3.8Å; M698-A707 HydrophobicContact CE-CB 4.31Å; M698-A707 WeakPolarHBondContact CE-O 3.4Å; M698-I710 HydrophobicContact SD-CG2 4.3Å; M698-A711 HydrophobicContact CE-CB 3.96Å; M698-L716 HydrophobicContact CB-CD2 3.59Å; M698-L716 HydrophobicContact SD-CD2 4.37Å; M698-V778 PolarHBondContact N-O 3.32Å; M698-V779 HydrophobicContact CB-CG1 4.47Å; M698-V779 HydrophobicContact CB-CG2 4.3Å; M698-V779 HydrophobicContact CE-CB 4.25Å; M698-V779 HydrophobicContact CE-CG1 3.33Å; M698-V779 HydrophobicContact CE-CG2 3.91Å; M698-V779 CarbonylContact O-C 3.6Å; M698-V779 WeakPolarHBondContact O-CA 3.42Å; M698-V780 PolarHBondContact O-N 3.29Å
699	L	94.5	Very high	89.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113	178.9	-53.7	-178	0	0	0	108.1	M405 S406 D407 V780 K788 I791 M815	M405-L699 HydrophobicContact CB-CD1 4.13Å; M405-L699 HydrophobicContact CG-CD1 4.43Å; M405-L699 HydrophobicContact SD-CD1 4.42Å; S406-L699 PolarHBondContact O-N 3.47Å; D407-L699 VanDerWaalsContact OD1-O 3.06Å; L699-V780 HydrophobicContact CD2-CB 3.71Å; L699-V780 HydrophobicContact CD2-CG2 3.53Å; L699-K788 HydrophobicContact CB-CG 4.2Å; L699-K788 HydrophobicContact CD1-CB 4.42Å; L699-K788 HydrophobicContact CD1-CG 4.49Å; L699-I791 HydrophobicContact CD1-CB 4.47Å; L699-I791 HydrophobicContact CD1-CD1 4.15Å; L699-I791 HydrophobicContact CD1-CG2 4.37Å; L699-I791 HydrophobicContact CD2-CD1 3.73Å; L699-I791 HydrophobicContact CD2-CG2 4.43Å; L699-M815 HydrophobicContact CD1-SD 3.83Å
700	T	90.5	Very high	89.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.			trans	-132.6	149.3	-174.9	-176.7	0	0	0	0	112.2	D702 A707 V780 C781 R782 C783	T700-D702 HydrophobicContact CG2-CB 4.01Å; T700-D702 WeakPolarHBondContact OG1-CB 3.15Å; T700-D702 PolarHBondContact OG1-N 3.47Å; T700-A707 HydrophobicContact CG2-CB 3.79Å; T700-V780 PolarHBondContact N-O 3Å; T700-C781 CarbonylContact O-C 3.53Å; T700-R782 PolarHBondContact O-N 2.87Å; T700-C783 PolarHBondContact O-N 3.41Å
701	G	85	Confident	89.5	Confident	8 Å²	8	22.2 Å²	22.2	8%	0.082	12%	0.117	C	C	.	.	S	Bend	trans	-72.4	-16.4	167.3	0	0	0	0	0	112.9	R782	G701-R782 WeakPolarHBondContact O-CA 3.4Å
702	D	83.7	Confident	89.4	Confident	18 Å²	18	20.4 Å²	20.4	10%	0.096	11%	0.106	C	C	.	.	S	Bend	trans	-64.1	159.8	-175.8	-80.5	-33	0	0	0	114.3	K408 T700 T706 C781 R782	K408-D702 WeakPolarHBondContact CD-OD2 3.4Å; K408-D702 VanDerWaalsContact CE-OD2 3.24Å; K408-D702 WeakPolarHBondContact CE-OD2 3.27Å; K408-D702 IonicContact NZ-OD2 2.77Å; K408-D702 PolarHBondContact NZ-OD2 3.33Å; T700-D702 HydrophobicContact CG2-CB 4.01Å; T700-D702 WeakPolarHBondContact OG1-CB 3.15Å; T700-D702 PolarHBondContact OG1-N 3.47Å; D702-T706 HydrophobicContact CB-CG2 3.92Å; D702-T706 WeakPolarHBondContact OD2-CG2 3.23Å; D702-C781 WeakPolarHBondContact O-CB 3.42Å; D702-R782 PolarHBondContact O-N 2.88Å
703	K	81.8	Confident	89.2	Confident	58 Å²	58	20.6 Å²	20.6	25%	0.252	11%	0.107	S	C	.	.			trans	-66	160	169.7	-61	178	-170.4	160.4	0	111.7	S569 E705 T706 A707	S569-K703 VanDerWaalsContact OG-CE 3.24Å; S569-K703 WeakPolarHBondContact OG-CE 3.38Å; S569-K703 PolarHBondContact OG-NZ 3.4Å; K703-E705 PolarHBondContact O-N 2.85Å; K703-T706 PolarHBondContact O-N 2.91Å; K703-A707 WeakPolarHBondContact O-CB 3.37Å; K703-A707 PolarHBondContact O-N 3.17Å
704	L	85.3	Confident	89.2	Confident	47 Å²	47	19.6 Å²	19.6	25%	0.246	10%	0.096	C	C	.	.	H	α-helix	trans	-56.1	-48.7	-175	-167	152.5	0	0	0	113.7	A707 A708 I725 L751 T753	L704-A707 PolarHBondContact O-N 2.86Å; L704-A708 WeakPolarHBondContact O-CB 3.09Å; L704-A708 PolarHBondContact O-N 3.35Å; L704-I725 HydrophobicContact CD1-CG2 3.74Å; L704-I725 HydrophobicContact CD2-CD1 4.32Å; L704-I725 HydrophobicContact CD2-CG2 4.12Å; L704-I725 HydrophobicContact CG-CG2 4.49Å; L704-L751 HydrophobicContact CD2-CD2 4.17Å; L704-L751 HydrophobicContact CG-CD2 4.32Å; L704-T753 HydrophobicContact CD1-CG2 4.35Å
705	E	81.1	Confident	89	Confident	76 Å²	76	22.1 Å²	22.1	36%	0.355	11%	0.106	S	C	.	.	H	α-helix	trans	-62.2	-47.9	-177.8	-69.1	159.5	-167	0	0	111.7	K572 K703 A708 C709	K572-E705 IonicContact NZ-OE1 3Å; K572-E705 PolarHBondContact NZ-OE1 3.43Å; K703-E705 PolarHBondContact O-N 2.85Å; E705-A708 WeakPolarHBondContact O-CB 3.37Å; E705-A708 PolarHBondContact O-N 2.86Å; E705-C709 PolarHBondContact O-N 3.43Å; E705-C709 PolarHBondContact O-SG 3.19Å
706	T	82.8	Confident	88.9	Confident	19 Å²	19	18.7 Å²	18.7	12%	0.117	9%	0.094	C	C	.	.	H	α-helix	trans	-58.5	-48.6	174.7	-64.9	0	0	0	0	111.8	R620 D702 K703 A708 C709 I710	R620-T706 VanDerWaalsContact CZ-CG2 3.49Å; D702-T706 HydrophobicContact CB-CG2 3.92Å; D702-T706 WeakPolarHBondContact OD2-CG2 3.23Å; K703-T706 PolarHBondContact O-N 2.91Å; T706-A708 VanDerWaalsContact C-N 3.32Å; T706-A708 PolarHBondContact O-N 2.84Å; T706-C709 PolarHBondContact O-N 2.77Å; T706-I710 HydrophobicContact CG2-CD1 3.85Å; T706-I710 WeakPolarHBondContact O-CD1 3.5Å; T706-I710 WeakPolarHBondContact O-CG1 3.34Å; T706-I710 PolarHBondContact O-N 2.73Å; T706-I710 VanDerWaalsContact O-N 3.17Å
707	A	88	Confident	88.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-39.2	179.8	0	0	0	0	0	111.6	M698 T700 K703 L704 I710 A711 V779 C781	M698-A707 HydrophobicContact CE-CB 4.31Å; M698-A707 WeakPolarHBondContact CE-O 3.4Å; T700-A707 HydrophobicContact CG2-CB 3.79Å; K703-A707 WeakPolarHBondContact O-CB 3.37Å; K703-A707 PolarHBondContact O-N 3.17Å; L704-A707 PolarHBondContact O-N 2.86Å; A707-I710 PolarHBondContact O-N 2.65Å; A707-A711 WeakPolarHBondContact O-CB 3.3Å; A707-A711 PolarHBondContact O-N 3.09Å; A707-V779 HydrophobicContact CB-CG1 3.99Å; A707-C781 VanDerWaalsContact CB-SG 3.56Å
708	A	89	Confident	88	Confident	12 Å²	12	18.8 Å²	18.8	10%	0.099	10%	0.098	C	C	.	.	H	α-helix	trans	-62.1	-45	176.2	0	0	0	0	0	112.2	L704 E705 T706 I710 A711 K712 M723 L751	L704-A708 WeakPolarHBondContact O-CB 3.09Å; L704-A708 PolarHBondContact O-N 3.35Å; E705-A708 WeakPolarHBondContact O-CB 3.37Å; E705-A708 PolarHBondContact O-N 2.86Å; T706-A708 VanDerWaalsContact C-N 3.32Å; T706-A708 PolarHBondContact O-N 2.84Å; A708-I710 VanDerWaalsContact C-N 3.31Å; A708-I710 PolarHBondContact O-N 3.22Å; A708-A711 PolarHBondContact O-N 3.21Å; A708-K712 PolarHBondContact O-N 3.33Å; A708-K712 VanDerWaalsContact O-N 3.16Å; A708-M723 HydrophobicContact CB-CE 4.11Å; A708-L751 HydrophobicContact CB-CD2 3.6Å
709	C	87.3	Confident	87.3	Confident	18 Å²	18	24.6 Å²	24.6	12%	0.122	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-44.3	177.8	-67.1	0	0	0	0	111.2	G618 E705 T706 K712 S713	G618-C709 WeakPolarHBondContact CA-O 3.47Å; E705-C709 PolarHBondContact O-N 3.43Å; E705-C709 PolarHBondContact O-SG 3.19Å; T706-C709 PolarHBondContact O-N 2.77Å; C709-K712 PolarHBondContact O-N 3.12Å; C709-S713 WeakPolarHBondContact O-CB 3.5Å; C709-S713 PolarHBondContact O-N 2.93Å
710	I	89.6	Confident	86.7	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-73.6	-37.1	-177.6	-63.9	162.4	0	0	0	111.7	K408 T413 D676 M698 T706 A707 A708 K712 S713 S714	K408-I710 HydrophobicContact CD-CD1 3.38Å; K408-I710 HydrophobicContact CG-CD1 3.87Å; K408-I710 HydrophobicContact CG-CG2 3.91Å; T413-I710 HydrophobicContact CG2-CD1 4.35Å; T413-I710 HydrophobicContact CG2-CG2 4.05Å; D676-I710 HydrophobicContact CB-CD1 4.36Å; D676-I710 HydrophobicContact CB-CG1 4.42Å; M698-I710 HydrophobicContact SD-CG2 4.3Å; T706-I710 HydrophobicContact CG2-CD1 3.85Å; T706-I710 WeakPolarHBondContact O-CD1 3.5Å; T706-I710 WeakPolarHBondContact O-CG1 3.34Å; T706-I710 PolarHBondContact O-N 2.73Å; T706-I710 VanDerWaalsContact O-N 3.17Å; A707-I710 PolarHBondContact O-N 2.65Å; A708-I710 VanDerWaalsContact C-N 3.31Å; A708-I710 PolarHBondContact O-N 3.22Å; I710-K712 PolarHBondContact O-N 2.87Å; I710-S713 WeakPolarHBondContact CA-OG 3.31Å; I710-S713 PolarHBondContact O-N 2.61Å; I710-S713 PolarHBondContact O-OG 2.97Å; I710-S714 WeakPolarHBondContact O-CB 2.99Å; I710-S714 PolarHBondContact O-N 3.07Å; I710-S714 PolarHBondContact O-OG 2.95Å
711	A	91.7	Very high	86.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-38.1	174.2	0	0	0	0	0	111.6	M698 A707 A708 S714 L716 V717 V779	M698-A711 HydrophobicContact CE-CB 3.96Å; A707-A711 WeakPolarHBondContact O-CB 3.3Å; A707-A711 PolarHBondContact O-N 3.09Å; A708-A711 PolarHBondContact O-N 3.21Å; A711-S714 PolarHBondContact O-OG 3.02Å; A711-L716 PolarHBondContact O-N 3.09Å; A711-V717 HydrophobicContact CB-CG2 3.96Å; A711-V717 PolarHBondContact O-N 3.23Å; A711-V779 HydrophobicContact CB-CG2 3.89Å
712	K	90.3	Very high	86.5	Confident	44 Å²	44	36.5 Å²	36.5	19%	0.191	19%	0.186	C	C	.	.	H	α-helix	trans	-74	-48.2	173.5	-74	176.5	168.7	172.9	0	112.8	A615 A708 C709 I710 S714 R715 M723	A615-K712 WeakPolarHBondContact O-CD 3.13Å; A615-K712 PolarHBondContact O-NZ 2.69Å; A708-K712 PolarHBondContact O-N 3.33Å; A708-K712 VanDerWaalsContact O-N 3.16Å; C709-K712 PolarHBondContact O-N 3.12Å; I710-K712 PolarHBondContact O-N 2.87Å; K712-S714 VanDerWaalsContact C-N 3.3Å; K712-S714 PolarHBondContact O-N 2.82Å; K712-R715 PolarHBondContact O-N 2.82Å; K712-R715 VanDerWaalsContact O-N 3.12Å; K712-M723 HydrophobicContact CD-CE 4.32Å; K712-M723 VanDerWaalsContact CE-CE 3.47Å; K712-M723 HydrophobicContact CG-SD 4.34Å
713	S	89.1	Confident	86.8	Confident	5 Å²	5	37.7 Å²	37.7	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-36.6	-176.3	77.2	0	0	0	0	111.9	L678 R683 C709 I710 R715	L678-S713 VanDerWaalsContact CD1-O 3.25Å; L678-S713 WeakPolarHBondContact CD1-O 3.48Å; R683-S713 PolarHBondContact NE-O 3.25Å; R683-S713 PolarHBondContact NH2-O 3.47Å; C709-S713 WeakPolarHBondContact O-CB 3.5Å; C709-S713 PolarHBondContact O-N 2.93Å; I710-S713 WeakPolarHBondContact CA-OG 3.31Å; I710-S713 PolarHBondContact O-N 2.61Å; I710-S713 PolarHBondContact O-OG 2.97Å; S713-R715 VanDerWaalsContact C-N 3.27Å; S713-R715 PolarHBondContact O-N 3.06Å
714	S	91.3	Very high	87.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-10.2	177.4	64.4	0	0	0	0	114.1	L686 I710 A711 K712 L716	L686-S714 WeakPolarHBondContact CD1-O 3.41Å; I710-S714 WeakPolarHBondContact O-CB 2.99Å; I710-S714 PolarHBondContact O-N 3.07Å; I710-S714 PolarHBondContact O-OG 2.95Å; A711-S714 PolarHBondContact O-OG 3.02Å; K712-S714 VanDerWaalsContact C-N 3.3Å; K712-S714 PolarHBondContact O-N 2.82Å; S714-L716 PolarHBondContact O-N 3.01Å; S714-L716 WeakPolarHBondContact OG-CB 3.28Å; S714-L716 PolarHBondContact OG-N 2.91Å
715	R	90.6	Very high	87.6	Confident	57 Å²	57	38.1 Å²	38.1	22%	0.215	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	16.7	-170.7	-54.1	-59	-160.8	139.6	13.6	114.5	R683 E687 K712 S713 V717	R683-R715 HydrophobicContact CB-CB 4.44Å; R683-R715 HydrophobicContact CB-CG 4.02Å; R683-R715 HydrophobicContact CG-CG 4.07Å; E687-R715 HydrophobicContact CG-CB 4.47Å; K712-R715 PolarHBondContact O-N 2.82Å; K712-R715 VanDerWaalsContact O-N 3.12Å; S713-R715 VanDerWaalsContact C-N 3.27Å; S713-R715 PolarHBondContact O-N 3.06Å; R715-V717 PolarHBondContact O-N 3.48Å
716	L	90.4	Very high	88.1	Confident	13 Å²	13	34.7 Å²	34.7	7%	0.068	18%	0.178	C	C	.	.	S	Bend	trans	-57.9	-45	165.7	177.2	62.3	0	0	0	110	L686 V696 M698 A711 S714 A777 V779	L686-L716 HydrophobicContact CD1-CB 4.23Å; V696-L716 HydrophobicContact CB-CD1 3.59Å; V696-L716 HydrophobicContact CG1-CD1 3.68Å; M698-L716 HydrophobicContact CB-CD2 3.59Å; M698-L716 HydrophobicContact SD-CD2 4.37Å; A711-L716 PolarHBondContact O-N 3.09Å; S714-L716 PolarHBondContact O-N 3.01Å; S714-L716 WeakPolarHBondContact OG-CB 3.28Å; S714-L716 PolarHBondContact OG-N 2.91Å; L716-A777 HydrophobicContact CD1-CB 4.11Å; L716-A777 HydrophobicContact CG-CB 4.06Å; L716-V779 HydrophobicContact CD2-CG2 4.09Å
717	V	87.7	Confident	88.4	Confident	2 Å²	2	40 Å²	40	1%	0.012	20%	0.2	C	C	.	.	S	Bend	trans	-103.2	129.2	166.9	-177.3	0	0	0	0	107.5	A711 R715 T721 M723 A749 A777	A711-V717 HydrophobicContact CB-CG2 3.96Å; A711-V717 PolarHBondContact O-N 3.23Å; R715-V717 PolarHBondContact O-N 3.48Å; V717-T721 HydrophobicContact CG1-CG2 4.22Å; V717-M723 HydrophobicContact CG1-CG 3.81Å; V717-M723 HydrophobicContact CG1-SD 4.24Å; V717-A749 HydrophobicContact CB-CB 4.36Å; V717-A749 HydrophobicContact CG1-CB 3.87Å; V717-A749 HydrophobicContact CG2-CB 3.56Å; V717-A777 HydrophobicContact CG2-CB 4.26Å
718	G	82.9	Confident	88.4	Confident	14 Å²	14	44.7 Å²	44.7	14%	0.144	23%	0.233	C	C	.	.			trans	-60.6	154.1	175.4	0	0	0	0	0	111	D720 T721	G718-D720 PolarHBondContact O-N 3.36Å; G718-T721 WeakPolarHBondContact CA-OG1 3.43Å; G718-T721 PolarHBondContact N-OG1 3.17Å; G718-T721 PolarHBondContact O-N 2.96Å; G718-T721 VanDerWaalsContact O-N 3.11Å
719	R	79.8	Confident	88.4	Confident	122 Å²	122	44.4 Å²	44.4	46%	0.46	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-38.8	-180	-92.1	173.4	-165.2	172.9	1.9	112.1
720	D	81.8	Confident	88.4	Confident	149 Å²	149	48 Å²	48	80%	0.797	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	2.8	-178	-46	-53.7	0	0	0	112.6	G718 P722	G718-D720 PolarHBondContact O-N 3.36Å; D720-P722 WeakPolarHBondContact O-CD 3.4Å
721	T	83.8	Confident	88.4	Confident	45 Å²	45	49.1 Å²	49.1	28%	0.276	27%	0.268	S	S	.	.	S	Bend	trans	-78.8	119.1	177.4	-53.9	0	0	0	0	108.8	V717 G718 P776	V717-T721 HydrophobicContact CG1-CG2 4.22Å; G718-T721 WeakPolarHBondContact CA-OG1 3.43Å; G718-T721 PolarHBondContact N-OG1 3.17Å; G718-T721 PolarHBondContact O-N 2.96Å; G718-T721 VanDerWaalsContact O-N 3.11Å; T721-P776 HydrophobicContact CG2-CG 4.44Å
722	P	88.3	Confident	88.3	Confident	63 Å²	63	56 Å²	56	41%	0.409	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-68.8	142.7	-179.7	31.1	-36.8	0	0	0	110.6	D720 H748 A749	D720-P722 WeakPolarHBondContact O-CD 3.4Å; P722-H748 WeakPolarHBondContact CB-CD2 3.41Å; P722-H748 WeakPolarHBondContact CG-CD2 3.29Å; P722-H748 WeakPolarHBondContact CG-NE2 3.45Å; P722-H748 WeakPolarHBondContact O-CA 3.49Å; P722-H748 WeakPolarHBondContact O-CB 3.38Å; P722-A749 PolarHBondContact O-N 3.28Å
723	M	89.7	Confident	88.4	Confident	43 Å²	43	60.3 Å²	60.3	21%	0.212	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131.8	177.3	-62.9	-176.8	-53.9	0	0	109.7	A708 K712 V717 A749 L751	A708-M723 HydrophobicContact CB-CE 4.11Å; K712-M723 HydrophobicContact CD-CE 4.32Å; K712-M723 VanDerWaalsContact CE-CE 3.47Å; K712-M723 HydrophobicContact CG-SD 4.34Å; V717-M723 HydrophobicContact CG1-CG 3.81Å; V717-M723 HydrophobicContact CG1-SD 4.24Å; M723-A749 CarbonylContact C-O 3.51Å; M723-A749 WeakPolarHBondContact CA-O 3.47Å; M723-A749 HydrophobicContact CG-CB 4.3Å; M723-L751 HydrophobicContact CB-CD1 4.41Å; M723-L751 HydrophobicContact CG-CD1 4.38Å; M723-L751 HydrophobicContact SD-CD1 3.93Å
724	Y	92.8	Very high	88.5	Confident	27 Å²	27	64.4 Å²	64.4	11%	0.106	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.9	168.5	-173.1	-92.8	0	0	0	109.1	F726 E738 A741 F742 R745 A749 L750 L751	Y724-F726 HydrophobicContact CE1-CB 4.49Å; Y724-F726 AromaticContact CE1-CD2 3.99Å; Y724-F726 HydrophobicContact CE1-CD2 3.99Å; Y724-E738 PolarHBondContact OH-OE2 2.92Å; Y724-A741 WeakPolarHBondContact OH-CB 3.34Å; Y724-F742 HydrophobicContact CD1-CB 4.22Å; Y724-F742 AromaticContact CD1-CD2 3.55Å; Y724-F742 HydrophobicContact CD1-CD2 3.55Å; Y724-F742 HydrophobicContact CD1-CE2 4.34Å; Y724-F742 HydrophobicContact CD1-CG 4.21Å; Y724-F742 HydrophobicContact CE1-CB 3.83Å; Y724-F742 HydrophobicContact CE1-CD2 4.07Å; Y724-F742 HydrophobicContact CE1-CG 4.3Å; Y724-F742 AromaticContact CG-CD2 3.81Å; Y724-F742 HydrophobicContact CG-CD2 3.81Å; Y724-F742 HydrophobicContact CG-CE2 4.46Å; Y724-R745 HydrophobicContact CD2-CB 4.38Å; Y724-A749 PolarHBondContact N-O 2.98Å; Y724-L750 HydrophobicContact CD1-CD1 3.99Å; Y724-L751 PolarHBondContact O-N 3.36Å
725	I	91.7	Very high	88.5	Confident	88 Å²	88	64.4 Å²	64.4	45%	0.451	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	109.9	175.8	-57.8	176.5	0	0	0	108.2	L704 K727	L704-I725 HydrophobicContact CD1-CG2 3.74Å; L704-I725 HydrophobicContact CD2-CD1 4.32Å; L704-I725 HydrophobicContact CD2-CG2 4.12Å; L704-I725 HydrophobicContact CG-CG2 4.49Å; I725-K727 PolarHBondContact O-N 3.3Å
726	F	92.1	Very high	88.6	Confident	3 Å²	3	64.5 Å²	64.5	1%	0.013	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-72.4	124.6	178	-157.1	-83.4	0	0	0	109.9	Y724 V729 E738 L739 L750 L751 I752	Y724-F726 HydrophobicContact CE1-CB 4.49Å; Y724-F726 AromaticContact CE1-CD2 3.99Å; Y724-F726 HydrophobicContact CE1-CD2 3.99Å; F726-V729 HydrophobicContact CE1-CG1 3.98Å; F726-V729 HydrophobicContact CE1-CG2 3.88Å; F726-E738 HydrophobicContact CE1-CB 4.04Å; F726-E738 HydrophobicContact CE2-CB 4.09Å; F726-E738 HydrophobicContact CZ-CB 3.65Å; F726-L739 HydrophobicContact CE2-CD2 4.31Å; F726-L739 HydrophobicContact CZ-CD2 4.49Å; F726-L739 HydrophobicContact CZ-CG 4.45Å; F726-L750 HydrophobicContact CB-CD1 4.15Å; F726-L750 HydrophobicContact CD2-CD1 4.05Å; F726-L751 WeakPolarHBondContact CB-O 2.89Å; F726-L751 PolarHBondContact N-O 3.46Å; F726-I752 HydrophobicContact CB-CB 3.87Å; F726-I752 HydrophobicContact CB-CD1 4.29Å; F726-I752 HydrophobicContact CB-CG1 3.87Å; F726-I752 HydrophobicContact CD1-CD1 3.77Å; F726-I752 HydrophobicContact CD1-CG1 3.89Å; F726-I752 HydrophobicContact CD2-CD1 4.17Å; F726-I752 HydrophobicContact CE1-CD1 4.12Å; F726-I752 HydrophobicContact CE2-CD1 4.48Å; F726-I752 HydrophobicContact CG-CB 4.34Å; F726-I752 HydrophobicContact CG-CD1 3.81Å; F726-I752 HydrophobicContact CG-CG1 3.9Å; F726-I752 HydrophobicContact CZ-CD1 4.47Å
727	K	88.9	Confident	88.7	Confident	130 Å²	130	69 Å²	69	57%	0.565	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-71.1	159	-178.4	-60.4	-169.4	-158.4	133.4	0	111.7	I725 V729 E738 S756	I725-K727 PolarHBondContact O-N 3.3Å; K727-V729 PolarHBondContact O-N 3.2Å; K727-E738 HydrophobicContact CB-CG 4.41Å; K727-E738 VanDerWaalsContact CD-OE1 3.28Å; K727-E738 WeakPolarHBondContact CD-OE1 3.48Å; K727-E738 WeakPolarHBondContact CE-OE1 3.2Å; K727-E738 IonicContact NZ-OE1 3.82Å; K727-E738 PolarHBondContact NZ-OE1 3.3Å; K727-S756 PolarHBondContact O-OG 3.17Å
728	S	88.1	Confident	88.9	Confident	100 Å²	100	70 Å²	70	70%	0.699	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-63.8	122.1	175.1	-167.5	0	0	0	0	110.4	S756	S728-S756 VanDerWaalsContact CA-OG 3.31Å; S728-S756 WeakPolarHBondContact CA-OG 3.49Å
729	V	89.4	Confident	89.4	Confident	6 Å²	6	69.3 Å²	69.3	4%	0.036	36%	0.359	C	S	.	.			trans	-121.8	133.7	177.5	-61.3	0	0	0	0	111.1	F726 K727 E734 A735 E738 S756 T759	F726-V729 HydrophobicContact CE1-CG1 3.98Å; F726-V729 HydrophobicContact CE1-CG2 3.88Å; K727-V729 PolarHBondContact O-N 3.2Å; V729-E734 HydrophobicContact CB-CB 4.09Å; V729-E734 HydrophobicContact CG1-CB 3.97Å; V729-A735 HydrophobicContact CB-CB 4.46Å; V729-A735 HydrophobicContact CG2-CB 4.18Å; V729-E738 HydrophobicContact CG1-CB 4.22Å; V729-E738 HydrophobicContact CG1-CG 3.96Å; V729-S756 PolarHBondContact N-OG 3.36Å; V729-S756 VanDerWaalsContact N-OG 3.09Å; V729-T759 HydrophobicContact CG2-CG2 4.24Å; V729-T759 PolarHBondContact O-OG1 3.43Å
730	S	86.4	Confident	90	Very high	94 Å²	94	66 Å²	66	66%	0.657	35%	0.35	S	S	*	.			trans	-113.2	-36	179.2	65.1	0	0	0	0	111.9	E734	S730-E734 PolarHBondContact N-OE2 2.86Å; S730-E734 PolarHBondContact OG-OE2 3.05Å; S730-E734 VanDerWaalsContact OG-OE2 3.05Å
731	G	89.2	Confident	90.5	Very high	27 Å²	27	60.6 Å²	60.6	28%	0.278	33%	0.326	S	S	.	.	S	Bend	trans	-103.6	162.9	-176.8	0	0	0	0	0	114.5	M733 E734 A735	G731-M733 PolarHBondContact O-N 3.04Å; G731-E734 PolarHBondContact N-OE2 2.85Å; G731-A735 WeakPolarHBondContact O-CB 3.49Å; G731-A735 PolarHBondContact O-N 3.19Å; G731-A735 VanDerWaalsContact O-N 3.08Å
732	R	91	Very high	90.9	Very high	144 Å²	144	58.4 Å²	58.4	54%	0.543	31%	0.313	S	S	.	.	H	α-helix	trans	-59.2	-43.2	175.5	-177.2	176.8	-177.7	154.2	2.7	113	A735 H736 F763 Y764	R732-A735 PolarHBondContact O-N 3.33Å; R732-H736 PolarHBondContact O-N 3.39Å; R732-F763 HydrophobicContact CB-CD1 4.16Å; R732-F763 HydrophobicContact CB-CD2 4.03Å; R732-F763 HydrophobicContact CB-CE1 4.33Å; R732-F763 HydrophobicContact CB-CE2 4.21Å; R732-F763 HydrophobicContact CB-CG 4.01Å; R732-F763 HydrophobicContact CB-CZ 4.36Å; R732-F763 HydrophobicContact CG-CB 4.11Å; R732-F763 HydrophobicContact CG-CD1 4.13Å; R732-F763 HydrophobicContact CG-CD2 4.46Å; R732-F763 HydrophobicContact CG-CG 3.99Å; R732-Y764 HydrophobicContact CG-CE2 3.65Å; R732-Y764 PolarHBondContact NE-OH 2.92Å; R732-Y764 WeakPolarHBondContact O-CE2 3.47Å
733	M	91.6	Very high	91.1	Very high	135 Å²	135	61 Å²	61	67%	0.665	31%	0.314	S	S	*	.	H	α-helix	trans	-66.2	-46.3	-178.1	-173.8	65.4	74.9	0	0	111.6	G731 A735 H736 L737	G731-M733 PolarHBondContact O-N 3.04Å; M733-A735 VanDerWaalsContact C-N 3.33Å; M733-A735 PolarHBondContact O-N 2.96Å; M733-H736 PolarHBondContact O-N 3.4Å; M733-L737 HydrophobicContact CG-CD1 4.31Å; M733-L737 WeakPolarHBondContact O-CG 3.23Å; M733-L737 PolarHBondContact O-N 2.71Å
734	E	92	Very high	91.1	Very high	90 Å²	90	67.6 Å²	67.6	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-58.7	-46.3	176.7	-61.3	176.1	161.4	0	0	111	V729 S730 G731 H736 L737 E738	V729-E734 HydrophobicContact CB-CB 4.09Å; V729-E734 HydrophobicContact CG1-CB 3.97Å; S730-E734 PolarHBondContact N-OE2 2.86Å; S730-E734 PolarHBondContact OG-OE2 3.05Å; S730-E734 VanDerWaalsContact OG-OE2 3.05Å; G731-E734 PolarHBondContact N-OE2 2.85Å; E734-H736 VanDerWaalsContact C-N 3.32Å; E734-H736 PolarHBondContact O-N 2.83Å; E734-L737 PolarHBondContact O-N 2.78Å; E734-E738 PolarHBondContact O-N 3.19Å
735	A	90.1	Very high	91	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-58.4	-43.4	176.1	0	0	0	0	0	111.8	V729 G731 R732 M733 L739 T759 Y764	V729-A735 HydrophobicContact CB-CB 4.46Å; V729-A735 HydrophobicContact CG2-CB 4.18Å; G731-A735 WeakPolarHBondContact O-CB 3.49Å; G731-A735 PolarHBondContact O-N 3.19Å; G731-A735 VanDerWaalsContact O-N 3.08Å; R732-A735 PolarHBondContact O-N 3.33Å; M733-A735 VanDerWaalsContact C-N 3.33Å; M733-A735 PolarHBondContact O-N 2.96Å; A735-L739 VanDerWaalsContact O-CB 3.29Å; A735-L739 WeakPolarHBondContact O-CB 3.24Å; A735-L739 WeakPolarHBondContact O-CD1 3.38Å; A735-L739 WeakPolarHBondContact O-CG 3.36Å; A735-L739 PolarHBondContact O-N 3.45Å; A735-T759 HydrophobicContact CB-CG2 4.29Å; A735-Y764 HydrophobicContact CB-CD2 4.43Å
736	H	92.1	Very high	90.7	Very high	60 Å²	60	69.3 Å²	69.3	28%	0.278	35%	0.345	S	S	.	.	H	α-helix	trans	-64.9	-43.1	177.8	-174.9	65.1	0	0	0	112.8	R732 M733 E734 L739 N740 Y764	R732-H736 PolarHBondContact O-N 3.39Å; M733-H736 PolarHBondContact O-N 3.4Å; E734-H736 VanDerWaalsContact C-N 3.32Å; E734-H736 PolarHBondContact O-N 2.83Å; H736-L739 PolarHBondContact O-N 2.8Å; H736-N740 PolarHBondContact CD2-ND2 3.44Å; H736-N740 PolarHBondContact CE1-ND2 3.26Å; H736-N740 PolarHBondContact NE2-ND2 3.32Å; H736-N740 WeakPolarHBondContact O-CB 3.44Å; H736-N740 PolarHBondContact O-N 3.13Å; H736-N740 PolarHBondContact O-ND2 3.18Å; H736-Y764 HydrophobicContact CB-CE2 3.94Å; H736-Y764 AromaticContact ND1-CE1 3.96Å; H736-Y764 AromaticContact ND1-CZ 3.99Å
737	L	93.2	Very high	90.5	Very high	106 Å²	106	74.5 Å²	74.5	56%	0.555	37%	0.372	S	S	*	.	H	α-helix	trans	-64	-45	178.8	-70.3	173.7	0	0	0	111.8	M733 E734 N740 A741	M733-L737 HydrophobicContact CG-CD1 4.31Å; M733-L737 WeakPolarHBondContact O-CG 3.23Å; M733-L737 PolarHBondContact O-N 2.71Å; E734-L737 PolarHBondContact O-N 2.78Å; L737-N740 PolarHBondContact O-N 3.49Å; L737-A741 PolarHBondContact O-N 3.39Å
738	E	92.2	Very high	90.6	Very high	24 Å²	24	69.7 Å²	69.7	11%	0.112	35%	0.352	C	S	.	.	H	α-helix	trans	-70.4	-35.2	178.2	-74.4	-65.6	156.4	0	0	112.3	Y724 F726 K727 V729 E734 N740 A741 F742	Y724-E738 PolarHBondContact OH-OE2 2.92Å; F726-E738 HydrophobicContact CE1-CB 4.04Å; F726-E738 HydrophobicContact CE2-CB 4.09Å; F726-E738 HydrophobicContact CZ-CB 3.65Å; K727-E738 HydrophobicContact CB-CG 4.41Å; K727-E738 VanDerWaalsContact CD-OE1 3.28Å; K727-E738 WeakPolarHBondContact CD-OE1 3.48Å; K727-E738 WeakPolarHBondContact CE-OE1 3.2Å; K727-E738 IonicContact NZ-OE1 3.82Å; K727-E738 PolarHBondContact NZ-OE1 3.3Å; V729-E738 HydrophobicContact CG1-CB 4.22Å; V729-E738 HydrophobicContact CG1-CG 3.96Å; E734-E738 PolarHBondContact O-N 3.19Å; E738-N740 VanDerWaalsContact C-N 3.35Å; E738-N740 PolarHBondContact O-N 3.26Å; E738-A741 PolarHBondContact O-N 2.92Å; E738-F742 WeakPolarHBondContact O-CB 3.38Å; E738-F742 PolarHBondContact O-N 2.98Å
739	L	92.3	Very high	90.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-40.9	171.1	-76.1	169.9	0	0	0	112	F726 A735 H736 F742 R743 Y764 F768 L771	F726-L739 HydrophobicContact CE2-CD2 4.31Å; F726-L739 HydrophobicContact CZ-CD2 4.49Å; F726-L739 HydrophobicContact CZ-CG 4.45Å; A735-L739 VanDerWaalsContact O-CB 3.29Å; A735-L739 WeakPolarHBondContact O-CB 3.24Å; A735-L739 WeakPolarHBondContact O-CD1 3.38Å; A735-L739 WeakPolarHBondContact O-CG 3.36Å; A735-L739 PolarHBondContact O-N 3.45Å; H736-L739 PolarHBondContact O-N 2.8Å; L739-F742 PolarHBondContact O-N 3.36Å; L739-R743 WeakPolarHBondContact O-CB 3.37Å; L739-R743 PolarHBondContact O-N 2.78Å; L739-Y764 HydrophobicContact CD1-CD2 4.1Å; L739-Y764 HydrophobicContact CD1-CG 3.98Å; L739-F768 HydrophobicContact CD2-CB 4.23Å; L739-F768 HydrophobicContact CD2-CD2 3.93Å; L739-L771 HydrophobicContact CB-CD1 4.4Å; L739-L771 HydrophobicContact CD2-CD1 4.15Å
740	N	92.5	Very high	91	Very high	51 Å²	51	64.6 Å²	64.6	27%	0.273	32%	0.317	S	S	.	.	H	α-helix	trans	-68	-34.9	175.3	-78.4	-33.6	0	0	0	112.6	H736 L737 E738 R743	H736-N740 PolarHBondContact CD2-ND2 3.44Å; H736-N740 PolarHBondContact CE1-ND2 3.26Å; H736-N740 PolarHBondContact NE2-ND2 3.32Å; H736-N740 WeakPolarHBondContact O-CB 3.44Å; H736-N740 PolarHBondContact O-N 3.13Å; H736-N740 PolarHBondContact O-ND2 3.18Å; L737-N740 PolarHBondContact O-N 3.49Å; E738-N740 VanDerWaalsContact C-N 3.35Å; E738-N740 PolarHBondContact O-N 3.26Å; N740-R743 PolarHBondContact O-N 3.24Å
741	A	92.3	Very high	91.4	Very high	36 Å²	36	60.1 Å²	60.1	30%	0.298	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-43.5	172.8	0	0	0	0	0	111.1	Y724 L737 E738 K744	Y724-A741 WeakPolarHBondContact OH-CB 3.34Å; L737-A741 PolarHBondContact O-N 3.39Å; E738-A741 PolarHBondContact O-N 2.92Å; A741-K744 PolarHBondContact O-N 3.35Å
742	F	92.7	Very high	91.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-37.3	175	180	-123.9	0	0	0	112.6	Y724 E738 L739 K744 R745 C746 L750 L771	Y724-F742 HydrophobicContact CD1-CB 4.22Å; Y724-F742 AromaticContact CD1-CD2 3.55Å; Y724-F742 HydrophobicContact CD1-CD2 3.55Å; Y724-F742 HydrophobicContact CD1-CE2 4.34Å; Y724-F742 HydrophobicContact CD1-CG 4.21Å; Y724-F742 HydrophobicContact CE1-CB 3.83Å; Y724-F742 HydrophobicContact CE1-CD2 4.07Å; Y724-F742 HydrophobicContact CE1-CG 4.3Å; Y724-F742 AromaticContact CG-CD2 3.81Å; Y724-F742 HydrophobicContact CG-CD2 3.81Å; Y724-F742 HydrophobicContact CG-CE2 4.46Å; E738-F742 WeakPolarHBondContact O-CB 3.38Å; E738-F742 PolarHBondContact O-N 2.98Å; L739-F742 PolarHBondContact O-N 3.36Å; F742-K744 PolarHBondContact O-N 2.8Å; F742-K744 VanDerWaalsContact O-N 3.12Å; F742-R745 CarbonylContact O-C 3.6Å; F742-R745 VanDerWaalsContact O-C 3.24Å; F742-R745 WeakPolarHBondContact O-CA 3.33Å; F742-R745 PolarHBondContact O-N 3.4Å; F742-C746 PolarHBondContact O-N 3.18Å; F742-C746 VanDerWaalsContact O-N 3.16Å; F742-L750 HydrophobicContact CD2-CD1 4.07Å; F742-L750 HydrophobicContact CE1-CD1 4.41Å; F742-L750 HydrophobicContact CE1-CD2 3.93Å; F742-L750 HydrophobicContact CE2-CB 4.01Å; F742-L750 HydrophobicContact CE2-CD1 3.87Å; F742-L750 HydrophobicContact CE2-CG 4.35Å; F742-L750 HydrophobicContact CG-CD1 4.45Å; F742-L750 HydrophobicContact CZ-CB 3.87Å; F742-L750 HydrophobicContact CZ-CD1 4.05Å; F742-L750 HydrophobicContact CZ-CD2 3.87Å; F742-L750 HydrophobicContact CZ-CG 4.14Å; F742-L771 HydrophobicContact CD1-CB 3.87Å; F742-L771 HydrophobicContact CD1-CD1 4.33Å; F742-L771 HydrophobicContact CE1-CB 3.75Å
743	R	92.4	Very high	91.7	Very high	116 Å²	116	53.1 Å²	53.1	44%	0.438	25%	0.254	S	S	.	.	H	α-helix	trans	-55.3	-31.1	175.8	179.3	179.9	-98.8	140.8	1.1	112.8	L739 N740 R745 C746 E767 L771	L739-R743 WeakPolarHBondContact O-CB 3.37Å; L739-R743 PolarHBondContact O-N 2.78Å; N740-R743 PolarHBondContact O-N 3.24Å; R743-R745 VanDerWaalsContact C-N 3.28Å; R743-C746 VanDerWaalsContact CA-SG 3.54Å; R743-C746 PolarHBondContact O-SG 3.04Å; R743-E767 IonicContact CZ-OE1 3.07Å; R743-E767 IonicContact NH1-OE1 3.05Å; R743-E767 PolarHBondContact NH1-OE1 2.85Å; R743-E767 IonicContact NH2-OE1 2.72Å; R743-E767 PolarHBondContact NH2-OE1 3.4Å; R743-L771 HydrophobicContact CB-CD1 4.17Å; R743-L771 HydrophobicContact CB-CD2 3.85Å; R743-L771 HydrophobicContact CG-CD2 3.88Å
744	K	91.2	Very high	91.6	Very high	183 Å²	183	46.7 Å²	46.7	80%	0.796	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.1	176.9	-63.9	177.7	-176.3	178.8	0	113.3	A741 F742	A741-K744 PolarHBondContact O-N 3.35Å; F742-K744 PolarHBondContact O-N 2.8Å; F742-K744 VanDerWaalsContact O-N 3.12Å
745	R	90.3	Very high	91.4	Very high	136 Å²	136	46.7 Å²	46.7	51%	0.513	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	36	-173.6	-59.3	-173.7	-172.3	-149.3	3.6	112	Y724 F742 R743 D747 H748	Y724-R745 HydrophobicContact CD2-CB 4.38Å; F742-R745 CarbonylContact O-C 3.6Å; F742-R745 VanDerWaalsContact O-C 3.24Å; F742-R745 WeakPolarHBondContact O-CA 3.33Å; F742-R745 PolarHBondContact O-N 3.4Å; R743-R745 VanDerWaalsContact C-N 3.28Å; R745-D747 VanDerWaalsContact C-OD1 3.3Å; R745-D747 PolarHBondContact O-N 3.08Å; R745-D747 VanDerWaalsContact O-N 3.11Å; R745-H748 WeakPolarHBondContact O-CB 3.29Å; R745-H748 PolarHBondContact O-N 3.46Å; R745-H748 PolarHBondContact O-ND1 3.49Å
746	C	84.3	Confident	91.5	Very high	15 Å²	15	46.7 Å²	46.7	10%	0.101	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.3	-178.4	-65.8	0	0	0	0	114.4	F742 R743 H748 Q774 S775	F742-C746 PolarHBondContact O-N 3.18Å; F742-C746 VanDerWaalsContact O-N 3.16Å; R743-C746 VanDerWaalsContact CA-SG 3.54Å; R743-C746 PolarHBondContact O-SG 3.04Å; C746-H748 VanDerWaalsContact C-N 3.27Å; C746-Q774 HydrophobicContact CB-CB 3.94Å; C746-Q774 CarbonylContact O-C 3.54Å; C746-Q774 PolarHBondContact SG-OE1 3.29Å; C746-S775 VanDerWaalsContact O-CA 3.27Å; C746-S775 WeakPolarHBondContact O-CA 3.28Å; C746-S775 PolarHBondContact O-N 3.01Å
747	D	87.3	Confident	91.5	Very high	111 Å²	111	44 Å²	44	59%	0.594	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-12.4	175.9	62.4	-34.5	0	0	0	113.1	R745 P776	R745-D747 VanDerWaalsContact C-OD1 3.3Å; R745-D747 PolarHBondContact O-N 3.08Å; R745-D747 VanDerWaalsContact O-N 3.11Å; D747-P776 WeakPolarHBondContact O-CD 3.28Å; D747-P776 WeakPolarHBondContact O-CG 3.37Å
748	H	91.3	Very high	91.3	Very high	29 Å²	29	43.7 Å²	43.7	13%	0.134	21%	0.211	C	C	.	.	S	Bend	trans	-84.1	151.4	178.4	-65	46.9	0	0	0	111.6	P722 R745 C746 L750 S775 P776	P722-H748 WeakPolarHBondContact CB-CD2 3.41Å; P722-H748 WeakPolarHBondContact CG-CD2 3.29Å; P722-H748 WeakPolarHBondContact CG-NE2 3.45Å; P722-H748 WeakPolarHBondContact O-CA 3.49Å; P722-H748 WeakPolarHBondContact O-CB 3.38Å; R745-H748 WeakPolarHBondContact O-CB 3.29Å; R745-H748 PolarHBondContact O-N 3.46Å; R745-H748 PolarHBondContact O-ND1 3.49Å; C746-H748 VanDerWaalsContact C-N 3.27Å; H748-L750 PolarHBondContact O-N 3.23Å; H748-S775 PolarHBondContact O-OG 2.99Å; H748-P776 WeakPolarHBondContact O-CD 3.45Å
749	A	92.2	Very high	91.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.2	170.8	0	0	0	0	0	110.2	V717 P722 M723 Y724 A777	V717-A749 HydrophobicContact CB-CB 4.36Å; V717-A749 HydrophobicContact CG1-CB 3.87Å; V717-A749 HydrophobicContact CG2-CB 3.56Å; P722-A749 PolarHBondContact O-N 3.28Å; M723-A749 CarbonylContact C-O 3.51Å; M723-A749 WeakPolarHBondContact CA-O 3.47Å; M723-A749 HydrophobicContact CG-CB 4.3Å; Y724-A749 PolarHBondContact N-O 2.98Å; A749-A777 CarbonylContact C-O 3.57Å; A749-A777 WeakPolarHBondContact CA-O 2.85Å; A749-A777 HydrophobicContact CB-CB 4.36Å
750	L	94.8	Very high	91.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.7	-175.2	175.3	63.1	0	0	0	111	Y724 F726 F742 H748 I752 F768 A772 S775 A777 V778 V779	Y724-L750 HydrophobicContact CD1-CD1 3.99Å; F726-L750 HydrophobicContact CB-CD1 4.15Å; F726-L750 HydrophobicContact CD2-CD1 4.05Å; F742-L750 HydrophobicContact CD2-CD1 4.07Å; F742-L750 HydrophobicContact CE1-CD1 4.41Å; F742-L750 HydrophobicContact CE1-CD2 3.93Å; F742-L750 HydrophobicContact CE2-CB 4.01Å; F742-L750 HydrophobicContact CE2-CD1 3.87Å; F742-L750 HydrophobicContact CE2-CG 4.35Å; F742-L750 HydrophobicContact CG-CD1 4.45Å; F742-L750 HydrophobicContact CZ-CB 3.87Å; F742-L750 HydrophobicContact CZ-CD1 4.05Å; F742-L750 HydrophobicContact CZ-CD2 3.87Å; F742-L750 HydrophobicContact CZ-CG 4.14Å; H748-L750 PolarHBondContact O-N 3.23Å; L750-I752 HydrophobicContact CG-CG2 4.5Å; L750-F768 HydrophobicContact CD2-CE2 4.19Å; L750-A772 HydrophobicContact CD2-CB 4.24Å; L750-S775 PolarHBondContact N-OG 3.22Å; L750-A777 PolarHBondContact N-O 3.2Å; L750-V778 HydrophobicContact CB-CG1 4.37Å; L750-V778 HydrophobicContact CB-CG2 4.27Å; L750-V778 HydrophobicContact CD2-CG1 4.12Å; L750-V778 HydrophobicContact CG-CG1 4.37Å; L750-V778 CarbonylContact O-C 3.58Å; L750-V778 WeakPolarHBondContact O-CA 3.48Å; L750-V779 PolarHBondContact O-N 3.33Å
751	L	94.3	Very high	91.2	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	121.6	165.9	-98.3	72.3	0	0	0	109.4	L704 A708 M723 Y724 F726 V779	L704-L751 HydrophobicContact CD2-CD2 4.17Å; L704-L751 HydrophobicContact CG-CD2 4.32Å; A708-L751 HydrophobicContact CB-CD2 3.6Å; M723-L751 HydrophobicContact CB-CD1 4.41Å; M723-L751 HydrophobicContact CG-CD1 4.38Å; M723-L751 HydrophobicContact SD-CD1 3.93Å; Y724-L751 PolarHBondContact O-N 3.36Å; F726-L751 WeakPolarHBondContact CB-O 2.89Å; F726-L751 PolarHBondContact N-O 3.46Å; L751-V779 WeakPolarHBondContact CA-O 3.4Å; L751-V779 HydrophobicContact CD1-CB 3.84Å; L751-V779 HydrophobicContact CD1-CG2 3.97Å; L751-V779 HydrophobicContact CG-CB 3.94Å; L751-V779 HydrophobicContact CG-CG1 4.29Å
752	I	94.6	Very high	91	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.3	-179.3	-172.4	167.6	0	0	0	111.2	F726 L750 M757 F768 V779 V780 C781	F726-I752 HydrophobicContact CB-CB 3.87Å; F726-I752 HydrophobicContact CB-CD1 4.29Å; F726-I752 HydrophobicContact CB-CG1 3.87Å; F726-I752 HydrophobicContact CD1-CD1 3.77Å; F726-I752 HydrophobicContact CD1-CG1 3.89Å; F726-I752 HydrophobicContact CD2-CD1 4.17Å; F726-I752 HydrophobicContact CE1-CD1 4.12Å; F726-I752 HydrophobicContact CE2-CD1 4.48Å; F726-I752 HydrophobicContact CG-CB 4.34Å; F726-I752 HydrophobicContact CG-CD1 3.81Å; F726-I752 HydrophobicContact CG-CG1 3.9Å; F726-I752 HydrophobicContact CZ-CD1 4.47Å; L750-I752 HydrophobicContact CG-CG2 4.5Å; I752-M757 HydrophobicContact CD1-CB 3.89Å; I752-M757 HydrophobicContact CG1-CB 4.14Å; I752-F768 HydrophobicContact CD1-CE2 3.69Å; I752-F768 HydrophobicContact CD1-CZ 4.07Å; I752-V779 PolarHBondContact N-O 3.29Å; I752-V780 HydrophobicContact CG2-CB 4.41Å; I752-V780 HydrophobicContact CG2-CG1 4.19Å; I752-V780 HydrophobicContact CG2-CG2 3.97Å; I752-V780 CarbonylContact O-C 3.55Å; I752-V780 VanDerWaalsContact O-CA 3.29Å; I752-V780 WeakPolarHBondContact O-CA 3.4Å; I752-C781 PolarHBondContact O-N 3.4Å
753	T	91.8	Very high	90.9	Very high	24 Å²	24	53.5 Å²	53.5	15%	0.147	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	150.1	174.6	58.2	0	0	0	0	111.3	L704 T755 S756 M757 C781	L704-T753 HydrophobicContact CD1-CG2 4.35Å; T753-T755 VanDerWaalsContact C-N 3.28Å; T753-T755 PolarHBondContact O-N 2.91Å; T753-S756 PolarHBondContact O-N 3.29Å; T753-S756 WeakPolarHBondContact OG1-CB 3.35Å; T753-S756 PolarHBondContact OG1-OG 3.24Å; T753-S756 VanDerWaalsContact OG1-OG 3.05Å; T753-M757 WeakPolarHBondContact O-CB 3.42Å; T753-M757 PolarHBondContact O-N 3.08Å; T753-C781 CarbonylContact C-O 3.57Å; T753-C781 WeakPolarHBondContact CA-O 3.25Å
754	G	88.8	Confident	90.9	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55	-40.4	-179.1	0	0	0	0	0	113.4	M757 E758 C781	G754-M757 PolarHBondContact O-N 2.96Å; G754-E758 WeakPolarHBondContact O-CB 3.3Å; G754-E758 PolarHBondContact O-N 2.96Å; G754-C781 PolarHBondContact N-O 2.86Å
755	T	89.3	Confident	90.9	Very high	90 Å²	90	44.5 Å²	44.5	55%	0.552	21%	0.206	S	C	*	.	H	α-helix	trans	-66	-44.6	177.9	53	0	0	0	0	112.9	T753 M757 E758 T759	T753-T755 VanDerWaalsContact C-N 3.28Å; T753-T755 PolarHBondContact O-N 2.91Å; T755-M757 VanDerWaalsContact C-N 3.35Å; T755-E758 PolarHBondContact O-N 2.89Å; T755-T759 PolarHBondContact O-N 3.24Å; T755-T759 VanDerWaalsContact O-N 3.1Å; T755-T759 PolarHBondContact O-OG1 3.17Å
756	S	91.8	Very high	90.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-39.5	178.3	-66	0	0	0	0	111.6	K727 S728 V729 T753 T759 C760	K727-S756 PolarHBondContact O-OG 3.17Å; S728-S756 VanDerWaalsContact CA-OG 3.31Å; S728-S756 WeakPolarHBondContact CA-OG 3.49Å; V729-S756 PolarHBondContact N-OG 3.36Å; V729-S756 VanDerWaalsContact N-OG 3.09Å; T753-S756 PolarHBondContact O-N 3.29Å; T753-S756 WeakPolarHBondContact OG1-CB 3.35Å; T753-S756 PolarHBondContact OG1-OG 3.24Å; T753-S756 VanDerWaalsContact OG1-OG 3.05Å; S756-T759 PolarHBondContact O-N 3.42Å; S756-C760 PolarHBondContact O-N 3.4Å; S756-C760 PolarHBondContact O-SG 3.09Å
757	M	91.8	Very high	91.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-44.8	173.4	-174.9	-163.1	67.6	0	0	111.1	I752 T753 G754 T755 T759 C760 L761 F768 V780 I791	I752-M757 HydrophobicContact CD1-CB 3.89Å; I752-M757 HydrophobicContact CG1-CB 4.14Å; T753-M757 WeakPolarHBondContact O-CB 3.42Å; T753-M757 PolarHBondContact O-N 3.08Å; G754-M757 PolarHBondContact O-N 2.96Å; T755-M757 VanDerWaalsContact C-N 3.35Å; M757-T759 VanDerWaalsContact C-N 3.35Å; M757-T759 PolarHBondContact O-N 3.06Å; M757-C760 CarbonylContact O-C 3.49Å; M757-C760 WeakPolarHBondContact O-CB 3.36Å; M757-C760 PolarHBondContact O-N 2.9Å; M757-C760 VanDerWaalsContact O-N 3.13Å; M757-L761 HydrophobicContact CE-CD1 3.93Å; M757-L761 HydrophobicContact CG-CD1 4Å; M757-L761 HydrophobicContact CG-CG 4.25Å; M757-L761 WeakPolarHBondContact O-CB 3.22Å; M757-L761 VanDerWaalsContact O-CG 3.27Å; M757-L761 WeakPolarHBondContact O-CG 3.38Å; M757-L761 PolarHBondContact O-N 2.76Å; M757-L761 HydrophobicContact SD-CD1 4.27Å; M757-F768 HydrophobicContact CG-CE1 3.89Å; M757-F768 HydrophobicContact CG-CZ 3.87Å; M757-V780 HydrophobicContact CE-CG1 4.44Å; M757-V780 HydrophobicContact SD-CG1 3.81Å; M757-V780 HydrophobicContact SD-CG2 4.23Å; M757-I791 HydrophobicContact CE-CD1 3.58Å; M757-I791 HydrophobicContact CE-CG1 3.58Å; M757-I791 HydrophobicContact SD-CD1 3.51Å; M757-I791 VanDerWaalsContact SD-CD1 3.51Å; M757-I791 HydrophobicContact SD-CG1 3.6Å; M757-I791 VanDerWaalsContact SD-CG1 3.6Å
758	E	90.1	Very high	91.5	Very high	100 Å²	100	40.2 Å²	40.2	47%	0.467	19%	0.186	S	C	.	.	H	α-helix	trans	-60.4	-42.8	177.9	-173.9	169.7	176.1	0	0	112.1	G754 T755 C760 L761 R762 Q787	G754-E758 WeakPolarHBondContact O-CB 3.3Å; G754-E758 PolarHBondContact O-N 2.96Å; T755-E758 PolarHBondContact O-N 2.89Å; E758-C760 VanDerWaalsContact C-N 3.35Å; E758-C760 PolarHBondContact O-N 2.95Å; E758-L761 PolarHBondContact O-N 2.57Å; E758-R762 WeakPolarHBondContact O-CB 3.48Å; E758-R762 PolarHBondContact O-N 3.11Å; E758-Q787 PolarHBondContact OE2-NE2 3.12Å
759	T	91.1	Very high	91.5	Very high	22 Å²	22	39.3 Å²	39.3	14%	0.135	18%	0.183	C	C	.	.	H	α-helix	trans	-58.6	-45.2	171.6	-55.6	0	0	0	0	111.6	V729 A735 T755 S756 M757 R762 F763	V729-T759 HydrophobicContact CG2-CG2 4.24Å; V729-T759 PolarHBondContact O-OG1 3.43Å; A735-T759 HydrophobicContact CB-CG2 4.29Å; T755-T759 PolarHBondContact O-N 3.24Å; T755-T759 VanDerWaalsContact O-N 3.1Å; T755-T759 PolarHBondContact O-OG1 3.17Å; S756-T759 PolarHBondContact O-N 3.42Å; M757-T759 VanDerWaalsContact C-N 3.35Å; M757-T759 PolarHBondContact O-N 3.06Å; T759-R762 PolarHBondContact O-N 2.98Å; T759-F763 HydrophobicContact CG2-CD2 3.94Å; T759-F763 HydrophobicContact CG2-CE2 4Å; T759-F763 VanDerWaalsContact O-CD2 3.28Å; T759-F763 WeakPolarHBondContact O-CD2 3.33Å; T759-F763 PolarHBondContact O-N 3.21Å
760	C	91.8	Very high	91.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63	-41.9	176.2	-70.6	0	0	0	0	112.3	S756 M757 E758 R762 Y764 E765 F768	S756-C760 PolarHBondContact O-N 3.4Å; S756-C760 PolarHBondContact O-SG 3.09Å; M757-C760 CarbonylContact O-C 3.49Å; M757-C760 WeakPolarHBondContact O-CB 3.36Å; M757-C760 PolarHBondContact O-N 2.9Å; M757-C760 VanDerWaalsContact O-N 3.13Å; E758-C760 VanDerWaalsContact C-N 3.35Å; E758-C760 PolarHBondContact O-N 2.95Å; C760-R762 VanDerWaalsContact C-N 3.35Å; C760-Y764 CarbonylContact O-C 3.57Å; C760-Y764 VanDerWaalsContact O-CA 3.29Å; C760-Y764 WeakPolarHBondContact O-CA 3.39Å; C760-Y764 PolarHBondContact O-N 3.15Å; C760-E765 PolarHBondContact O-N 3.21Å; C760-F768 HydrophobicContact CB-CB 4.34Å; C760-F768 HydrophobicContact CB-CD2 4.15Å; C760-F768 HydrophobicContact CB-CG 4.19Å
761	L	90.2	Very high	91.2	Very high	19 Å²	19	44.7 Å²	44.7	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-67.4	-36.3	178	-68.7	174.6	0	0	0	111.6	M757 E758 E765 F768 L794	M757-L761 HydrophobicContact CE-CD1 3.93Å; M757-L761 HydrophobicContact CG-CD1 4Å; M757-L761 HydrophobicContact CG-CG 4.25Å; M757-L761 WeakPolarHBondContact O-CB 3.22Å; M757-L761 VanDerWaalsContact O-CG 3.27Å; M757-L761 WeakPolarHBondContact O-CG 3.38Å; M757-L761 PolarHBondContact O-N 2.76Å; M757-L761 HydrophobicContact SD-CD1 4.27Å; E758-L761 PolarHBondContact O-N 2.57Å; L761-E765 HydrophobicContact CD2-CG 4.22Å; L761-E765 WeakPolarHBondContact O-CB 3.2Å; L761-F768 HydrophobicContact CD2-CD1 3.74Å; L761-F768 HydrophobicContact CD2-CE1 4.23Å; L761-F768 HydrophobicContact CG-CD1 4.45Å; L761-L794 HydrophobicContact CD1-CD1 3.59Å; L761-L794 HydrophobicContact CD2-CD1 3.9Å; L761-L794 HydrophobicContact CG-CD1 4.25Å
762	R	89.3	Confident	91.1	Very high	204 Å²	204	44.7 Å²	44.7	77%	0.77	21%	0.208	S	C	*	.	H	α-helix	trans	-65.3	-38.6	178	-173.7	176.3	-178.1	-180	1	113.2	E758 T759 C760	E758-R762 WeakPolarHBondContact O-CB 3.48Å; E758-R762 PolarHBondContact O-N 3.11Å; T759-R762 PolarHBondContact O-N 2.98Å; C760-R762 VanDerWaalsContact C-N 3.35Å
763	F	90.9	Very high	90.8	Very high	72 Å²	72	50.1 Å²	50.1	32%	0.316	23%	0.228	S	C	.	.	H	α-helix	trans	-107.2	-31	-173.1	-63.1	-63.5	0	0	0	115	R732 T759	R732-F763 HydrophobicContact CB-CD1 4.16Å; R732-F763 HydrophobicContact CB-CD2 4.03Å; R732-F763 HydrophobicContact CB-CE1 4.33Å; R732-F763 HydrophobicContact CB-CE2 4.21Å; R732-F763 HydrophobicContact CB-CG 4.01Å; R732-F763 HydrophobicContact CB-CZ 4.36Å; R732-F763 HydrophobicContact CG-CB 4.11Å; R732-F763 HydrophobicContact CG-CD1 4.13Å; R732-F763 HydrophobicContact CG-CD2 4.46Å; R732-F763 HydrophobicContact CG-CG 3.99Å; T759-F763 HydrophobicContact CG2-CD2 3.94Å; T759-F763 HydrophobicContact CG2-CE2 4Å; T759-F763 VanDerWaalsContact O-CD2 3.28Å; T759-F763 WeakPolarHBondContact O-CD2 3.33Å; T759-F763 PolarHBondContact O-N 3.21Å
764	Y	92.5	Very high	90.7	Very high	44 Å²	44	53.2 Å²	53.2	17%	0.173	24%	0.241	C	C	.	.	H	α-helix	trans	-139.2	43	-170	-63.6	-78	0	0	0	112.2	R732 A735 H736 L739 C760 H766 E767 F768	R732-Y764 HydrophobicContact CG-CE2 3.65Å; R732-Y764 PolarHBondContact NE-OH 2.92Å; R732-Y764 WeakPolarHBondContact O-CE2 3.47Å; A735-Y764 HydrophobicContact CB-CD2 4.43Å; H736-Y764 HydrophobicContact CB-CE2 3.94Å; H736-Y764 AromaticContact ND1-CE1 3.96Å; H736-Y764 AromaticContact ND1-CZ 3.99Å; L739-Y764 HydrophobicContact CD1-CD2 4.1Å; L739-Y764 HydrophobicContact CD1-CG 3.98Å; C760-Y764 CarbonylContact O-C 3.57Å; C760-Y764 VanDerWaalsContact O-CA 3.29Å; C760-Y764 WeakPolarHBondContact O-CA 3.39Å; C760-Y764 PolarHBondContact O-N 3.15Å; Y764-H766 PolarHBondContact O-N 3.41Å; Y764-E767 PolarHBondContact O-N 3.06Å; Y764-F768 WeakPolarHBondContact O-CB 3.29Å; Y764-F768 PolarHBondContact O-N 3.31Å
765	E	89.7	Confident	90.8	Very high	66 Å²	66	53.3 Å²	53.3	31%	0.308	24%	0.242	S	C	.	.	H	α-helix	trans	-48.7	-54.4	-175	-162.4	-179.9	135.9	0	0	113.6	C760 L761 V769 L794 H798	C760-E765 PolarHBondContact O-N 3.21Å; L761-E765 HydrophobicContact CD2-CG 4.22Å; L761-E765 WeakPolarHBondContact O-CB 3.2Å; E765-V769 VanDerWaalsContact O-CG2 3.3Å; E765-V769 WeakPolarHBondContact O-CG2 3.17Å; E765-V769 PolarHBondContact O-N 2.65Å; E765-L794 HydrophobicContact CG-CD2 4.32Å; E765-L794 WeakPolarHBondContact OE1-CD2 3.45Å; E765-H798 IonicContact OE1-CD2 3.7Å; E765-H798 IonicContact OE1-CE1 3.71Å; E765-H798 PolarHBondContact OE1-CE1 2.85Å; E765-H798 IonicContact OE1-NE2 3.85Å; E765-H798 PolarHBondContact OE1-NE2 2.9Å
766	H	90.7	Very high	90.8	Very high	131 Å²	131	51.9 Å²	51.9	61%	0.606	23%	0.234	S	C	*	.	H	α-helix	trans	-64.9	-44.7	-177.5	-72.3	-76.9	0	0	0	112.6	Y764 V769 E770 H798	Y764-H766 PolarHBondContact O-N 3.41Å; H766-V769 PolarHBondContact O-N 2.87Å; H766-E770 PolarHBondContact O-N 3.35Å; H766-H798 AromaticContact CE1-CE1 3.11Å; H766-H798 PolarHBondContact CE1-CE1 3.1Å; H766-H798 AromaticContact CE1-ND1 3.29Å; H766-H798 PolarHBondContact CE1-ND1 3.03Å; H766-H798 VanDerWaalsContact CE1-ND1 3.29Å; H766-H798 AromaticContact CG-CE1 3.85Å; H766-H798 AromaticContact ND1-CE1 3.13Å; H766-H798 PolarHBondContact ND1-CE1 3.23Å; H766-H798 AromaticContact ND1-ND1 3.06Å; H766-H798 PolarHBondContact ND1-ND1 3.3Å; H766-H798 AromaticContact NE2-CE1 3.78Å
767	E	91	Very high	90.8	Very high	36 Å²	36	52 Å²	52	17%	0.168	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-43	-177.2	-179.2	168.2	-146.4	0	0	111.2	R743 Y764 V769 E770 L771	R743-E767 IonicContact CZ-OE1 3.07Å; R743-E767 IonicContact NH1-OE1 3.05Å; R743-E767 PolarHBondContact NH1-OE1 2.85Å; R743-E767 IonicContact NH2-OE1 2.72Å; R743-E767 PolarHBondContact NH2-OE1 3.4Å; Y764-E767 PolarHBondContact O-N 3.06Å; E767-V769 PolarHBondContact O-N 2.89Å; E767-E770 PolarHBondContact O-N 2.89Å; E767-L771 HydrophobicContact CG-CD1 4.15Å; E767-L771 WeakPolarHBondContact O-CG 3.14Å; E767-L771 PolarHBondContact O-N 3.43Å
768	F	93	Very high	90.9	Very high	5 Å²	5	52 Å²	52	2%	0.022	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-47.7	175.8	173.5	-105.5	0	0	0	111.6	L739 L750 I752 M757 C760 L761 Y764 E770 L771 A772	L739-F768 HydrophobicContact CD2-CB 4.23Å; L739-F768 HydrophobicContact CD2-CD2 3.93Å; L750-F768 HydrophobicContact CD2-CE2 4.19Å; I752-F768 HydrophobicContact CD1-CE2 3.69Å; I752-F768 HydrophobicContact CD1-CZ 4.07Å; M757-F768 HydrophobicContact CG-CE1 3.89Å; M757-F768 HydrophobicContact CG-CZ 3.87Å; C760-F768 HydrophobicContact CB-CB 4.34Å; C760-F768 HydrophobicContact CB-CD2 4.15Å; C760-F768 HydrophobicContact CB-CG 4.19Å; L761-F768 HydrophobicContact CD2-CD1 3.74Å; L761-F768 HydrophobicContact CD2-CE1 4.23Å; L761-F768 HydrophobicContact CG-CD1 4.45Å; Y764-F768 WeakPolarHBondContact O-CB 3.29Å; Y764-F768 PolarHBondContact O-N 3.31Å; F768-E770 VanDerWaalsContact C-N 3.31Å; F768-E770 PolarHBondContact O-N 2.83Å; F768-L771 PolarHBondContact O-N 2.99Å; F768-A772 HydrophobicContact CZ-CB 4.4Å; F768-A772 VanDerWaalsContact O-CB 3.23Å; F768-A772 WeakPolarHBondContact O-CB 3.41Å; F768-A772 PolarHBondContact O-N 2.92Å
769	V	91.1	Very high	91.2	Very high	11 Å²	11	47.2 Å²	47.2	7%	0.067	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-38.1	-179.8	174.2	0	0	0	0	111.5	E765 H766 E767 R773 L795 H798 T799	E765-V769 VanDerWaalsContact O-CG2 3.3Å; E765-V769 WeakPolarHBondContact O-CG2 3.17Å; E765-V769 PolarHBondContact O-N 2.65Å; H766-V769 PolarHBondContact O-N 2.87Å; E767-V769 PolarHBondContact O-N 2.89Å; V769-R773 WeakPolarHBondContact O-CB 3.42Å; V769-R773 PolarHBondContact O-N 3.37Å; V769-L795 HydrophobicContact CG1-CD1 4.26Å; V769-H798 HydrophobicContact CG1-CB 3.91Å; V769-T799 HydrophobicContact CG1-CG2 4.34Å
770	E	91	Very high	91.4	Very high	109 Å²	109	46.1 Å²	46.1	51%	0.509	21%	0.206	S	C	.	.	H	α-helix	trans	-65.9	-42.7	177.7	-172.9	173.9	-170.5	0	0	112.6	H766 E767 F768 R773	H766-E770 PolarHBondContact O-N 3.35Å; E767-E770 PolarHBondContact O-N 2.89Å; F768-E770 VanDerWaalsContact C-N 3.31Å; F768-E770 PolarHBondContact O-N 2.83Å; E770-R773 WeakPolarHBondContact O-CB 3.27Å
771	L	91.2	Very high	91.3	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-70.2	-47.4	177.3	-66.6	176.3	0	0	0	111.6	L739 F742 R743 E767 F768 R773 Q774	L739-L771 HydrophobicContact CB-CD1 4.4Å; L739-L771 HydrophobicContact CD2-CD1 4.15Å; F742-L771 HydrophobicContact CD1-CB 3.87Å; F742-L771 HydrophobicContact CD1-CD1 4.33Å; F742-L771 HydrophobicContact CE1-CB 3.75Å; R743-L771 HydrophobicContact CB-CD1 4.17Å; R743-L771 HydrophobicContact CB-CD2 3.85Å; R743-L771 HydrophobicContact CG-CD2 3.88Å; E767-L771 HydrophobicContact CG-CD1 4.15Å; E767-L771 WeakPolarHBondContact O-CG 3.14Å; E767-L771 PolarHBondContact O-N 3.43Å; F768-L771 PolarHBondContact O-N 2.99Å; L771-R773 PolarHBondContact O-N 3.19Å; L771-Q774 WeakPolarHBondContact O-CB 3.49Å; L771-Q774 PolarHBondContact O-N 3.41Å
772	A	91.4	Very high	91.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-30.4	177.7	0	0	0	0	0	111.8	W697 L750 F768 Q774 S775 V778	W697-A772 HydrophobicContact CH2-CB 3.61Å; W697-A772 HydrophobicContact CZ2-CB 3.78Å; L750-A772 HydrophobicContact CD2-CB 4.24Å; F768-A772 HydrophobicContact CZ-CB 4.4Å; F768-A772 VanDerWaalsContact O-CB 3.23Å; F768-A772 WeakPolarHBondContact O-CB 3.41Å; F768-A772 PolarHBondContact O-N 2.92Å; A772-Q774 VanDerWaalsContact C-N 3.28Å; A772-Q774 PolarHBondContact O-N 2.99Å; A772-S775 WeakPolarHBondContact O-CB 3.03Å; A772-S775 PolarHBondContact O-N 3.39Å; A772-V778 HydrophobicContact CB-CG2 4.46Å
773	R	89.1	Confident	91.1	Very high	113 Å²	113	42.9 Å²	42.9	43%	0.426	19%	0.193	S	C	.	.	H	α-helix	trans	-63.5	-30.5	171.9	178.4	178	99.4	88.2	6.1	112.3	Y403 R695 V769 E770 L771 S775	Y403-R773 WeakPolarHBondContact OH-CD 3.46Å; Y403-R773 VanDerWaalsContact OH-CG 3.27Å; Y403-R773 WeakPolarHBondContact OH-CG 3.36Å; R695-R773 PolarHBondContact NH1-O 3.43Å; R695-R773 PolarHBondContact NH2-O 3.06Å; V769-R773 WeakPolarHBondContact O-CB 3.42Å; V769-R773 PolarHBondContact O-N 3.37Å; E770-R773 WeakPolarHBondContact O-CB 3.27Å; L771-R773 PolarHBondContact O-N 3.19Å; R773-S775 VanDerWaalsContact C-N 3.33Å
774	Q	89.5	Confident	90.8	Very high	90 Å²	90	41.3 Å²	41.3	42%	0.421	19%	0.192	S	C	.	.	H	α-helix	trans	-77.6	-23.9	-178.3	-65	176.3	16.5	0	0	112.4	C746 L771 A772	C746-Q774 HydrophobicContact CB-CB 3.94Å; C746-Q774 CarbonylContact O-C 3.54Å; C746-Q774 PolarHBondContact SG-OE1 3.29Å; L771-Q774 WeakPolarHBondContact O-CB 3.49Å; L771-Q774 PolarHBondContact O-N 3.41Å; A772-Q774 VanDerWaalsContact C-N 3.28Å; A772-Q774 PolarHBondContact O-N 2.99Å
775	S	91.2	Very high	90.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.007	19%	0.188	C	C	.	.	S	Bend	trans	-62.7	141.6	178.4	-171.5	0	0	0	0	113.1	C746 H748 L750 A772 R773 A777	C746-S775 VanDerWaalsContact O-CA 3.27Å; C746-S775 WeakPolarHBondContact O-CA 3.28Å; C746-S775 PolarHBondContact O-N 3.01Å; H748-S775 PolarHBondContact O-OG 2.99Å; L750-S775 PolarHBondContact N-OG 3.22Å; A772-S775 WeakPolarHBondContact O-CB 3.03Å; A772-S775 PolarHBondContact O-N 3.39Å; R773-S775 VanDerWaalsContact C-N 3.33Å; S775-A777 VanDerWaalsContact C-N 3.33Å; S775-A777 PolarHBondContact OG-O 3.45Å
776	P	88.8	Confident	90.2	Very high	60 Å²	60	38.9 Å²	38.9	39%	0.39	19%	0.186	S	C	.	.	S	Bend	trans	-65.1	-34	175.9	25.5	-35.3	0	0	0	113.2	T721 D747 H748	T721-P776 HydrophobicContact CG2-CG 4.44Å; D747-P776 WeakPolarHBondContact O-CD 3.28Å; D747-P776 WeakPolarHBondContact O-CG 3.37Å; H748-P776 WeakPolarHBondContact O-CD 3.45Å
777	A	91.6	Very high	90.1	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	16%	0.161	C	C	.	.			trans	-152.9	143.5	179	0	0	0	0	0	109.8	L716 V717 A749 L750 S775	L716-A777 HydrophobicContact CD1-CB 4.11Å; L716-A777 HydrophobicContact CG-CB 4.06Å; V717-A777 HydrophobicContact CG2-CB 4.26Å; A749-A777 CarbonylContact C-O 3.57Å; A749-A777 WeakPolarHBondContact CA-O 2.85Å; A749-A777 HydrophobicContact CB-CB 4.36Å; L750-A777 PolarHBondContact N-O 3.2Å; S775-A777 VanDerWaalsContact C-N 3.33Å; S775-A777 PolarHBondContact OG-O 3.45Å
778	V	94.7	Very high	90.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.6	178.8	-178.8	0	0	0	0	109	W697 M698 L750 A772 V780	W697-V778 CarbonylContact C-O 3.48Å; W697-V778 WeakPolarHBondContact CA-O 3.49Å; W697-V778 HydrophobicContact CB-CB 4.43Å; W697-V778 HydrophobicContact CD2-CB 3.64Å; W697-V778 HydrophobicContact CD2-CG1 4.05Å; W697-V778 HydrophobicContact CD2-CG2 4.03Å; W697-V778 HydrophobicContact CE3-CB 4.11Å; W697-V778 HydrophobicContact CE3-CG1 3.98Å; W697-V778 HydrophobicContact CG-CB 3.79Å; W697-V778 HydrophobicContact CG-CG2 4.37Å; W697-V778 HydrophobicContact CH2-CG1 4.45Å; W697-V778 HydrophobicContact CH2-CG2 4.41Å; W697-V778 HydrophobicContact CZ2-CB 4.24Å; W697-V778 HydrophobicContact CZ2-CG2 3.74Å; W697-V778 HydrophobicContact CZ3-CG1 4.18Å; M698-V778 PolarHBondContact N-O 3.32Å; L750-V778 HydrophobicContact CB-CG1 4.37Å; L750-V778 HydrophobicContact CB-CG2 4.27Å; L750-V778 HydrophobicContact CD2-CG1 4.12Å; L750-V778 HydrophobicContact CG-CG1 4.37Å; L750-V778 CarbonylContact O-C 3.58Å; L750-V778 WeakPolarHBondContact O-CA 3.48Å; A772-V778 HydrophobicContact CB-CG2 4.46Å; V778-V780 HydrophobicContact CG1-CG2 4.21Å
779	V	95.5	Very high	90.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.7	178.2	-179.6	0	0	0	0	108.3	M698 A707 A711 L716 L750 L751 I752	M698-V779 HydrophobicContact CB-CG1 4.47Å; M698-V779 HydrophobicContact CB-CG2 4.3Å; M698-V779 HydrophobicContact CE-CB 4.25Å; M698-V779 HydrophobicContact CE-CG1 3.33Å; M698-V779 HydrophobicContact CE-CG2 3.91Å; M698-V779 CarbonylContact O-C 3.6Å; M698-V779 WeakPolarHBondContact O-CA 3.42Å; A707-V779 HydrophobicContact CB-CG1 3.99Å; A711-V779 HydrophobicContact CB-CG2 3.89Å; L716-V779 HydrophobicContact CD2-CG2 4.09Å; L750-V779 PolarHBondContact O-N 3.33Å; L751-V779 WeakPolarHBondContact CA-O 3.4Å; L751-V779 HydrophobicContact CD1-CB 3.84Å; L751-V779 HydrophobicContact CD1-CG2 3.97Å; L751-V779 HydrophobicContact CG-CB 3.94Å; L751-V779 HydrophobicContact CG-CG1 4.29Å; I752-V779 PolarHBondContact N-O 3.29Å
780	V	94.8	Very high	90.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.8	175.7	-164.5	0	0	0	0	108.6	M698 L699 T700 I752 M757 V778 C783 I791	M698-V780 PolarHBondContact O-N 3.29Å; L699-V780 HydrophobicContact CD2-CB 3.71Å; L699-V780 HydrophobicContact CD2-CG2 3.53Å; T700-V780 PolarHBondContact N-O 3Å; I752-V780 HydrophobicContact CG2-CB 4.41Å; I752-V780 HydrophobicContact CG2-CG1 4.19Å; I752-V780 HydrophobicContact CG2-CG2 3.97Å; I752-V780 CarbonylContact O-C 3.55Å; I752-V780 VanDerWaalsContact O-CA 3.29Å; I752-V780 WeakPolarHBondContact O-CA 3.4Å; M757-V780 HydrophobicContact CE-CG1 4.44Å; M757-V780 HydrophobicContact SD-CG1 3.81Å; M757-V780 HydrophobicContact SD-CG2 4.23Å; V778-V780 HydrophobicContact CG1-CG2 4.21Å; V780-C783 VanDerWaalsContact CB-SG 3.53Å; V780-C783 WeakPolarHBondContact CG1-SG 3.4Å; V780-I791 HydrophobicContact CG1-CD1 4.38Å; V780-I791 HydrophobicContact CG2-CD1 4.35Å
781	C	90.6	Very high	90.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	155.5	-174.9	-48.6	0	0	0	0	110.4	T700 D702 A707 I752 T753 G754 C783	T700-C781 CarbonylContact O-C 3.53Å; D702-C781 WeakPolarHBondContact O-CB 3.42Å; A707-C781 VanDerWaalsContact CB-SG 3.56Å; I752-C781 PolarHBondContact O-N 3.4Å; T753-C781 CarbonylContact C-O 3.57Å; T753-C781 WeakPolarHBondContact CA-O 3.25Å; G754-C781 PolarHBondContact N-O 2.86Å; C781-C783 PolarHBondContact O-N 3.44Å
782	R	87.4	Confident	90.2	Very high	149 Å²	149	31.4 Å²	31.4	56%	0.562	15%	0.153	S	C	*	.	S	Bend	trans	49.9	42.3	-177.2	-61.9	-168	177.2	-179.1	1.4	113.4	T700 G701 D702	T700-R782 PolarHBondContact O-N 2.87Å; G701-R782 WeakPolarHBondContact O-CA 3.4Å; D702-R782 PolarHBondContact O-N 2.88Å
783	C	87.3	Confident	90.2	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.034	17%	0.171	C	C	.	.			trans	-76.6	130.8	174.4	-69	0	0	0	0	111.1	T700 V780 C781 K788	T700-C783 PolarHBondContact O-N 3.41Å; V780-C783 VanDerWaalsContact CB-SG 3.53Å; V780-C783 WeakPolarHBondContact CG1-SG 3.4Å; C781-C783 PolarHBondContact O-N 3.44Å; C783-K788 HydrophobicContact CB-CG 3.93Å
784	S	85.3	Confident	90.3	Very high	40 Å²	40	30.8 Å²	30.8	28%	0.28	16%	0.16	S	C	.	.			trans	-71.5	157.2	161.6	74.9	0	0	0	0	111.1	T786 Q787 K788	S784-T786 PolarHBondContact O-N 2.92Å; S784-T786 PolarHBondContact OG-OG1 3.45Å; S784-Q787 PolarHBondContact O-N 2.99Å; S784-Q787 VanDerWaalsContact O-N 3.14Å; S784-Q787 WeakPolarHBondContact OG-CB 3.21Å; S784-Q787 VanDerWaalsContact OG-CG 3.24Å; S784-Q787 WeakPolarHBondContact OG-CG 3.19Å; S784-Q787 PolarHBondContact OG-N 3.09Å; S784-Q787 VanDerWaalsContact OG-N 3.09Å; S784-K788 PolarHBondContact O-N 2.98Å
785	P	84.3	Confident	90.4	Very high	13 Å²	13	26.6 Å²	26.6	8%	0.084	14%	0.14	C	C	.	.	H	α-helix	trans	-56.3	-34.8	174.9	-25.2	33.5	0	0	0	113.5	L197 T789 N811	L197-P785 WeakPolarHBondContact O-CG 3.42Å; P785-T789 PolarHBondContact O-N 3.36Å; P785-T789 PolarHBondContact O-OG1 3.23Å; P785-T789 VanDerWaalsContact O-OG1 3.12Å; P785-N811 HydrophobicContact CB-CB 4.28Å; P785-N811 HydrophobicContact CG-CB 4.02Å
786	T	84.9	Confident	90.4	Very high	46 Å²	46	29.9 Å²	29.9	28%	0.282	15%	0.153	S	C	.	.	H	α-helix	trans	-70.8	-41.4	177.3	54.1	0	0	0	0	111.6	S784 K788 T789 Q790	S784-T786 PolarHBondContact O-N 2.92Å; S784-T786 PolarHBondContact OG-OG1 3.45Å; T786-K788 PolarHBondContact O-N 3.4Å; T786-T789 WeakPolarHBondContact O-CB 3.43Å; T786-T789 PolarHBondContact O-N 3.5Å; T786-T789 VanDerWaalsContact O-N 3.17Å; T786-Q790 WeakPolarHBondContact O-CG 3.23Å; T786-Q790 PolarHBondContact O-N 3.09Å
787	Q	89	Confident	90.5	Very high	15 Å²	15	35.2 Å²	35.2	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-42.1	174.3	-76.5	172.5	-18.7	0	0	111.6	E758 S784 T789 Q790 I791	E758-Q787 PolarHBondContact OE2-NE2 3.12Å; S784-Q787 PolarHBondContact O-N 2.99Å; S784-Q787 VanDerWaalsContact O-N 3.14Å; S784-Q787 WeakPolarHBondContact OG-CB 3.21Å; S784-Q787 VanDerWaalsContact OG-CG 3.24Å; S784-Q787 WeakPolarHBondContact OG-CG 3.19Å; S784-Q787 PolarHBondContact OG-N 3.09Å; S784-Q787 VanDerWaalsContact OG-N 3.09Å; Q787-T789 PolarHBondContact O-N 3.06Å; Q787-Q790 PolarHBondContact O-N 2.94Å; Q787-Q790 VanDerWaalsContact O-N 3.09Å; Q787-I791 VanDerWaalsContact O-CG1 3.3Å; Q787-I791 WeakPolarHBondContact O-CG1 3.2Å; Q787-I791 PolarHBondContact O-N 2.96Å
788	K	91.8	Very high	90.4	Very high	1 Å²	1	37 Å²	37	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-52.7	-43.6	173.9	-68.9	-178.4	171.4	-176.9	0	111.5	D407 L699 C783 S784 T786 V792 N811 D812 M815	D407-K788 IonicContact OD1-NZ 2.85Å; D407-K788 PolarHBondContact OD1-NZ 3.39Å; L699-K788 HydrophobicContact CB-CG 4.2Å; L699-K788 HydrophobicContact CD1-CB 4.42Å; L699-K788 HydrophobicContact CD1-CG 4.49Å; C783-K788 HydrophobicContact CB-CG 3.93Å; S784-K788 PolarHBondContact O-N 2.98Å; T786-K788 PolarHBondContact O-N 3.4Å; K788-V792 WeakPolarHBondContact O-CG2 3.45Å; K788-V792 PolarHBondContact O-N 3.14Å; K788-N811 PolarHBondContact NZ-ND2 3.06Å; K788-D812 IonicContact NZ-OD1 3.86Å; K788-D812 PolarHBondContact NZ-OD1 3.22Å; K788-M815 HydrophobicContact CB-CB 4.17Å; K788-M815 HydrophobicContact CB-CG 4.39Å; K788-M815 HydrophobicContact CB-SD 4.45Å
789	T	91.1	Very high	90.2	Very high	22 Å²	22	38.7 Å²	38.7	14%	0.135	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-40.8	178.7	-55.2	0	0	0	0	112.5	P785 T786 Q787 T793 G814 M815 A818	P785-T789 PolarHBondContact O-N 3.36Å; P785-T789 PolarHBondContact O-OG1 3.23Å; P785-T789 VanDerWaalsContact O-OG1 3.12Å; T786-T789 WeakPolarHBondContact O-CB 3.43Å; T786-T789 PolarHBondContact O-N 3.5Å; T786-T789 VanDerWaalsContact O-N 3.17Å; Q787-T789 PolarHBondContact O-N 3.06Å; T789-T793 PolarHBondContact O-N 3.24Å; T789-T793 PolarHBondContact O-OG1 3.23Å; T789-G814 WeakPolarHBondContact OG1-CA 3.3Å; T789-M815 PolarHBondContact OG1-N 3.05Å; T789-A818 HydrophobicContact CG2-CB 3.73Å
790	Q	90.9	Very high	89.9	Confident	94 Å²	94	47 Å²	47	44%	0.439	22%	0.22	S	C	.	.	H	α-helix	trans	-63.6	-45.8	177.4	-72.1	173.6	-16.7	0	0	111.6	T786 Q787 V792 T793 L794	T786-Q790 WeakPolarHBondContact O-CG 3.23Å; T786-Q790 PolarHBondContact O-N 3.09Å; Q787-Q790 PolarHBondContact O-N 2.94Å; Q787-Q790 VanDerWaalsContact O-N 3.09Å; Q790-V792 VanDerWaalsContact C-N 3.33Å; Q790-V792 PolarHBondContact O-N 2.89Å; Q790-T793 WeakPolarHBondContact O-CB 3.37Å; Q790-T793 PolarHBondContact O-N 3.38Å; Q790-L794 WeakPolarHBondContact O-CB 3.38Å; Q790-L794 VanDerWaalsContact O-CG 3.25Å; Q790-L794 WeakPolarHBondContact O-CG 3.48Å; Q790-L794 PolarHBondContact O-N 2.85Å
791	I	92.1	Very high	89.7	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.036	23%	0.227	C	C	.	.	H	α-helix	trans	-55.3	-48.7	179.3	-65.1	164.8	0	0	0	111	W697 L699 M757 V780 Q787 T793 L794 L795	W697-I791 HydrophobicContact CE3-CG2 4.16Å; W697-I791 HydrophobicContact CZ3-CG2 4.1Å; L699-I791 HydrophobicContact CD1-CB 4.47Å; L699-I791 HydrophobicContact CD1-CD1 4.15Å; L699-I791 HydrophobicContact CD1-CG2 4.37Å; L699-I791 HydrophobicContact CD2-CD1 3.73Å; L699-I791 HydrophobicContact CD2-CG2 4.43Å; M757-I791 HydrophobicContact CE-CD1 3.58Å; M757-I791 HydrophobicContact CE-CG1 3.58Å; M757-I791 HydrophobicContact SD-CD1 3.51Å; M757-I791 VanDerWaalsContact SD-CD1 3.51Å; M757-I791 HydrophobicContact SD-CG1 3.6Å; M757-I791 VanDerWaalsContact SD-CG1 3.6Å; V780-I791 HydrophobicContact CG1-CD1 4.38Å; V780-I791 HydrophobicContact CG2-CD1 4.35Å; Q787-I791 VanDerWaalsContact O-CG1 3.3Å; Q787-I791 WeakPolarHBondContact O-CG1 3.2Å; Q787-I791 PolarHBondContact O-N 2.96Å; I791-T793 VanDerWaalsContact C-N 3.3Å; I791-T793 PolarHBondContact O-N 3.26Å; I791-L794 PolarHBondContact O-N 3.14Å; I791-L795 WeakPolarHBondContact O-CB 3.46Å; I791-L795 PolarHBondContact O-N 2.93Å
792	V	93.1	Very high	89.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-44.8	177.7	174	0	0	0	0	111.2	M405 K788 Q790 R796 V803 M815 A818 S819	M405-V792 HydrophobicContact CB-CG2 4.46Å; M405-V792 HydrophobicContact CG-CG2 3.89Å; K788-V792 WeakPolarHBondContact O-CG2 3.45Å; K788-V792 PolarHBondContact O-N 3.14Å; Q790-V792 VanDerWaalsContact C-N 3.33Å; Q790-V792 PolarHBondContact O-N 2.89Å; V792-R796 VanDerWaalsContact O-CB 3.28Å; V792-R796 WeakPolarHBondContact O-CB 3.19Å; V792-R796 PolarHBondContact O-N 2.95Å; V792-R796 VanDerWaalsContact O-N 3.08Å; V792-V803 HydrophobicContact CG1-CG1 4.26Å; V792-M815 HydrophobicContact CG2-CG 3.51Å; V792-A818 HydrophobicContact CB-CB 4.41Å; V792-A818 HydrophobicContact CG1-CB 4.13Å; V792-S819 VanDerWaalsContact CG1-CA 3.45Å
793	T	91.6	Very high	90.2	Very high	63 Å²	63	41.6 Å²	41.6	39%	0.387	20%	0.203	S	C	.	.	H	α-helix	trans	-65.2	-45.5	-177.6	-58	0	0	0	0	111.3	T789 Q790 I791 R796 Y797	T789-T793 PolarHBondContact O-N 3.24Å; T789-T793 PolarHBondContact O-OG1 3.23Å; Q790-T793 WeakPolarHBondContact O-CB 3.37Å; Q790-T793 PolarHBondContact O-N 3.38Å; I791-T793 VanDerWaalsContact C-N 3.3Å; I791-T793 PolarHBondContact O-N 3.26Å; T793-R796 PolarHBondContact O-N 3.3Å; T793-Y797 WeakPolarHBondContact O-CB 3.43Å; T793-Y797 PolarHBondContact O-N 3.02Å
794	L	91.1	Very high	90.6	Very high	36 Å²	36	41.3 Å²	41.3	19%	0.188	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-48.2	179	-68.4	168.5	0	0	0	111.3	L761 E765 Q790 I791 R796 Y797 H798	L761-L794 HydrophobicContact CD1-CD1 3.59Å; L761-L794 HydrophobicContact CD2-CD1 3.9Å; L761-L794 HydrophobicContact CG-CD1 4.25Å; E765-L794 HydrophobicContact CG-CD2 4.32Å; E765-L794 WeakPolarHBondContact OE1-CD2 3.45Å; Q790-L794 WeakPolarHBondContact O-CB 3.38Å; Q790-L794 VanDerWaalsContact O-CG 3.25Å; Q790-L794 WeakPolarHBondContact O-CG 3.48Å; Q790-L794 PolarHBondContact O-N 2.85Å; I791-L794 PolarHBondContact O-N 3.14Å; L794-R796 VanDerWaalsContact C-N 3.28Å; L794-R796 PolarHBondContact O-N 2.78Å; L794-Y797 PolarHBondContact O-N 2.96Å; L794-Y797 VanDerWaalsContact O-N 3.13Å; L794-H798 PolarHBondContact O-CD2 3.22Å; L794-H798 PolarHBondContact O-N 2.9Å
795	L	92	Very high	91.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-59.7	-42.5	179.7	-170.9	67.9	0	0	0	111.1	Y403 M405 W697 V769 I791 T799 V803	Y403-L795 HydrophobicContact CD1-CD2 3.81Å; Y403-L795 HydrophobicContact CD2-CD2 4.33Å; Y403-L795 HydrophobicContact CE1-CD1 4.32Å; Y403-L795 HydrophobicContact CE1-CD2 4.33Å; Y403-L795 HydrophobicContact CG-CD2 3.8Å; M405-L795 HydrophobicContact CE-CD2 3.62Å; M405-L795 HydrophobicContact SD-CD2 4.14Å; W697-L795 HydrophobicContact CH2-CD1 4.33Å; W697-L795 HydrophobicContact CZ2-CD1 4.37Å; V769-L795 HydrophobicContact CG1-CD1 4.26Å; I791-L795 WeakPolarHBondContact O-CB 3.46Å; I791-L795 PolarHBondContact O-N 2.93Å; L795-T799 HydrophobicContact CD1-CG2 3.69Å; L795-T799 HydrophobicContact CG-CG2 4.24Å; L795-T799 VanDerWaalsContact O-CB 3.29Å; L795-T799 WeakPolarHBondContact O-CB 3.46Å; L795-T799 WeakPolarHBondContact O-CG2 3.4Å; L795-T799 PolarHBondContact O-N 3.1Å; L795-T799 PolarHBondContact O-OG1 3.25Å; L795-V803 HydrophobicContact CB-CG2 4.48Å; L795-V803 HydrophobicContact CD2-CG1 4.33Å; L795-V803 HydrophobicContact CD2-CG2 4Å; L795-V803 HydrophobicContact CG-CG2 4.18Å
796	R	91.2	Very high	91.7	Very high	70 Å²	70	38.8 Å²	38.8	26%	0.264	18%	0.184	S	C	.	.	H	α-helix	trans	-64.3	-41.7	176.4	179.6	176.3	160.3	-95.1	-21.3	112.4	R306 V792 T793 L794 K800 V803 D820	R306-R796 VanDerWaalsContact NH1-NH1 3.13Å; R306-R796 VanDerWaalsContact NH1-NH2 3.17Å; R306-R796 VanDerWaalsContact NH2-NH2 3.1Å; V792-R796 VanDerWaalsContact O-CB 3.28Å; V792-R796 WeakPolarHBondContact O-CB 3.19Å; V792-R796 PolarHBondContact O-N 2.95Å; V792-R796 VanDerWaalsContact O-N 3.08Å; T793-R796 PolarHBondContact O-N 3.3Å; L794-R796 VanDerWaalsContact C-N 3.28Å; L794-R796 PolarHBondContact O-N 2.78Å; R796-K800 WeakPolarHBondContact O-CA 3.46Å; R796-K800 PolarHBondContact O-N 2.85Å; R796-K800 VanDerWaalsContact O-N 3.16Å; R796-V803 HydrophobicContact CB-CG2 4.28Å; R796-D820 WeakPolarHBondContact CD-OD1 3.44Å; R796-D820 WeakPolarHBondContact CD-OD2 3.38Å; R796-D820 IonicContact CZ-OD1 2.76Å; R796-D820 IonicContact NE-OD1 3.69Å; R796-D820 PolarHBondContact NE-OD1 3.25Å; R796-D820 IonicContact NE-OD2 3.65Å
797	Y	90.6	Very high	92	Very high	172 Å²	172	36.6 Å²	36.6	68%	0.675	17%	0.171	S	C	*	.	H	α-helix	trans	-66	-50	179.8	-177.7	-103.9	0	0	0	112	T793 L794	T793-Y797 WeakPolarHBondContact O-CB 3.43Å; T793-Y797 PolarHBondContact O-N 3.02Å; L794-Y797 PolarHBondContact O-N 2.96Å; L794-Y797 VanDerWaalsContact O-N 3.13Å
798	H	90	Very high	92.1	Very high	41 Å²	41	36.4 Å²	36.4	19%	0.19	17%	0.17	C	C	.	.	H	α-helix	trans	-74.2	-44.7	-176.5	-74.1	-66	0	0	0	113.6	E765 H766 V769 L794	E765-H798 IonicContact OE1-CD2 3.7Å; E765-H798 IonicContact OE1-CE1 3.71Å; E765-H798 PolarHBondContact OE1-CE1 2.85Å; E765-H798 IonicContact OE1-NE2 3.85Å; E765-H798 PolarHBondContact OE1-NE2 2.9Å; H766-H798 AromaticContact CE1-CE1 3.11Å; H766-H798 PolarHBondContact CE1-CE1 3.1Å; H766-H798 AromaticContact CE1-ND1 3.29Å; H766-H798 PolarHBondContact CE1-ND1 3.03Å; H766-H798 VanDerWaalsContact CE1-ND1 3.29Å; H766-H798 AromaticContact CG-CE1 3.85Å; H766-H798 AromaticContact ND1-CE1 3.13Å; H766-H798 PolarHBondContact ND1-CE1 3.23Å; H766-H798 AromaticContact ND1-ND1 3.06Å; H766-H798 PolarHBondContact ND1-ND1 3.3Å; H766-H798 AromaticContact NE2-CE1 3.78Å; V769-H798 HydrophobicContact CG1-CB 3.91Å; L794-H798 PolarHBondContact O-CD2 3.22Å; L794-H798 PolarHBondContact O-N 2.9Å
799	T	89.2	Confident	91.6	Very high	35 Å²	35	36.5 Å²	36.5	22%	0.215	17%	0.172	C	C	.	.	H	α-helix	trans	-81.6	-21.7	-175.3	68.1	0	0	0	0	112.7	Y403 V769 L795 A801	Y403-T799 HydrophobicContact CE2-CG2 4.23Å; V769-T799 HydrophobicContact CG1-CG2 4.34Å; L795-T799 HydrophobicContact CD1-CG2 3.69Å; L795-T799 HydrophobicContact CG-CG2 4.24Å; L795-T799 VanDerWaalsContact O-CB 3.29Å; L795-T799 WeakPolarHBondContact O-CB 3.46Å; L795-T799 WeakPolarHBondContact O-CG2 3.4Å; L795-T799 PolarHBondContact O-N 3.1Å; L795-T799 PolarHBondContact O-OG1 3.25Å; T799-A801 PolarHBondContact O-N 3.03Å; T799-A801 WeakPolarHBondContact OG1-CB 3.22Å; T799-A801 PolarHBondContact OG1-N 2.65Å; T799-A801 VanDerWaalsContact OG1-N 3.17Å
800	K	88.9	Confident	90.9	Very high	176 Å²	176	36.1 Å²	36.1	77%	0.765	17%	0.172	S	C	*	.			trans	50.3	16.7	-167.1	-57	179.5	-177.8	175.2	0	113.1	R796	R796-K800 WeakPolarHBondContact O-CA 3.46Å; R796-K800 PolarHBondContact O-N 2.85Å; R796-K800 VanDerWaalsContact O-N 3.16Å
801	A	90.7	Very high	90.5	Very high	17 Å²	17	32.1 Å²	32.1	14%	0.14	15%	0.154	C	C	.	.			trans	-90.3	163.9	176.8	0	0	0	0	0	109.5	C402 Y403 T799	C402-A801 HydrophobicContact CB-CB 4.02Å; Y403-A801 HydrophobicContact CD2-CB 3.98Å; Y403-A801 HydrophobicContact CE2-CB 3.71Å; T799-A801 PolarHBondContact O-N 3.03Å; T799-A801 WeakPolarHBondContact OG1-CB 3.22Å; T799-A801 PolarHBondContact OG1-N 2.65Å; T799-A801 VanDerWaalsContact OG1-N 3.17Å
802	R	93.8	Very high	90.3	Very high	17 Å²	17	31.8 Å²	31.8	6%	0.064	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.2	-176.2	-52.2	-64.1	-97.2	168.5	-4	109.3	R309 K311 E397 R400 I401 C402 Y403 D820	R309-R802 PolarHBondContact O-NH2 3.38Å; K311-R802 HydrophobicContact CD-CG 4.1Å; E397-R802 WeakPolarHBondContact OE1-CB 3.26Å; E397-R802 WeakPolarHBondContact OE1-CD 3.37Å; E397-R802 WeakPolarHBondContact OE1-CG 3.47Å; E397-R802 IonicContact OE1-CZ 2.81Å; E397-R802 IonicContact OE1-NE 3.87Å; E397-R802 PolarHBondContact OE1-NE 3.17Å; E397-R802 IonicContact OE1-NH2 2.64Å; E397-R802 IonicContact OE2-CZ 3.64Å; E397-R802 IonicContact OE2-NE 2.69Å; E397-R802 PolarHBondContact OE2-NE 3.22Å; E397-R802 IonicContact OE2-NH2 3.31Å; E397-R802 PolarHBondContact OE2-NH2 3.38Å; R400-R802 HydrophobicContact CB-CG 4.45Å; R400-R802 WeakPolarHBondContact O-CB 3.17Å; I401-R802 HydrophobicContact CD1-CB 4.22Å; C402-R802 PolarHBondContact N-O 3.05Å; Y403-R802 PolarHBondContact N-O 3.42Å; R802-D820 IonicContact CZ-OD1 3.21Å; R802-D820 IonicContact NH1-OD1 2.71Å; R802-D820 PolarHBondContact NH1-OD1 3.1Å; R802-D820 IonicContact NH1-OD2 3.1Å
803	V	95.6	Very high	89.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.6	-174.6	-175.5	0	0	0	0	108.6	Y403 M405 V792 L795 R796 D820 L821	Y403-V803 HydrophobicContact CD2-CG2 4.44Å; M405-V803 HydrophobicContact CE-CG1 4.32Å; M405-V803 HydrophobicContact CG-CG1 3.84Å; V792-V803 HydrophobicContact CG1-CG1 4.26Å; L795-V803 HydrophobicContact CB-CG2 4.48Å; L795-V803 HydrophobicContact CD2-CG1 4.33Å; L795-V803 HydrophobicContact CD2-CG2 4Å; L795-V803 HydrophobicContact CG-CG2 4.18Å; R796-V803 HydrophobicContact CB-CG2 4.28Å; V803-D820 PolarHBondContact N-OD2 2.86Å; V803-D820 PolarHBondContact O-N 2.86Å; V803-L821 PolarHBondContact O-N 2.94Å
804	A	96	Very high	89.7	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	149.1	168	0	0	0	0	0	110.2	I401 Y403 L404 M405 L821	I401-A804 HydrophobicContact CD1-CB 4.08Å; I401-A804 HydrophobicContact CG1-CB 4.18Å; I401-A804 HydrophobicContact CG2-CB 3.62Å; Y403-A804 PolarHBondContact O-N 3.26Å; L404-A804 CarbonylContact C-O 3.57Å; L404-A804 WeakPolarHBondContact CA-O 3.12Å; L404-A804 HydrophobicContact CD1-CB 3.79Å; M405-A804 PolarHBondContact N-O 3.46Å; A804-L821 CarbonylContact C-O 3.52Å; A804-L821 WeakPolarHBondContact CA-O 3.34Å; A804-L821 HydrophobicContact CB-CB 4.13Å; A804-L821 HydrophobicContact CB-CD2 3.93Å; A804-L821 HydrophobicContact CB-CG 4.42Å
805	A	96	Very high	89.8	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.1	171.9	0	0	0	0	0	110.4	M405 M815 L821 L823	M405-A805 HydrophobicContact CB-CB 4.33Å; M405-A805 CarbonylContact O-C 3.58Å; M405-A805 VanDerWaalsContact O-CA 3.28Å; M405-A805 WeakPolarHBondContact O-CA 3.38Å; A805-M815 HydrophobicContact CB-CE 4.21Å; A805-M815 HydrophobicContact CB-CG 3.75Å; A805-M815 HydrophobicContact CB-SD 4.21Å; A805-L821 PolarHBondContact N-O 3.38Å; A805-L823 PolarHBondContact O-N 3.29Å
806	I	95.8	Very high	89.7	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.6	177.1	-171.3	164.8	0	0	0	111.4	L404 M405 D407 T411 M815 L823 L825 F844 V847	L404-I806 HydrophobicContact CD1-CB 4.38Å; L404-I806 HydrophobicContact CD1-CG2 3.98Å; L404-I806 HydrophobicContact CG-CG2 4.39Å; M405-I806 PolarHBondContact O-N 3.26Å; D407-I806 PolarHBondContact N-O 3.45Å; T411-I806 HydrophobicContact CG2-CG1 4.19Å; T411-I806 HydrophobicContact CG2-CG2 4.18Å; I806-M815 WeakPolarHBondContact O-CE 3.46Å; I806-L823 WeakPolarHBondContact CA-O 3.17Å; I806-L823 HydrophobicContact CB-CB 3.93Å; I806-L823 HydrophobicContact CB-CD1 4.45Å; I806-L823 HydrophobicContact CD1-CB 4.08Å; I806-L823 HydrophobicContact CD1-CD1 4.32Å; I806-L823 HydrophobicContact CG1-CB 3.88Å; I806-L825 HydrophobicContact CD1-CD1 4.15Å; I806-L825 HydrophobicContact CD1-CD2 4.11Å; I806-L825 HydrophobicContact CD1-CG 4.01Å; I806-L825 HydrophobicContact CG1-CD1 4.27Å; I806-L825 HydrophobicContact CG1-CG 4.1Å; I806-F844 HydrophobicContact CD1-CD2 3.85Å; I806-F844 HydrophobicContact CD1-CE2 4.18Å; I806-F844 HydrophobicContact CG2-CE2 3.99Å; I806-V847 HydrophobicContact CD1-CG2 3.52Å
807	G	92.5	Very high	89.6	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	169	175.5	0	0	0	0	0	111.7	T411 D812 L823 G824 L825 A833	T411-G807 WeakPolarHBondContact OG1-CA 3.45Å; G807-D812 WeakPolarHBondContact CA-OD2 3.27Å; G807-L823 PolarHBondContact N-O 3.47Å; G807-G824 WeakPolarHBondContact O-CA 3.3Å; G807-L825 PolarHBondContact O-N 3.07Å; G807-A833 WeakPolarHBondContact O-CB 3.29Å
808	D	89.2	Confident	89.6	Confident	11 Å²	11	18.2 Å²	18.2	6%	0.059	10%	0.097	C	C	.	.	S	Bend	trans	-113.1	-27.3	175.3	84.9	71	0	0	0	113.1	G410 T411 D812 L825 A833	G410-D808 WeakPolarHBondContact CA-OD2 3.34Å; T411-D808 PolarHBondContact N-OD2 2.87Å; T411-D808 PolarHBondContact OG1-N 3.36Å; D808-D812 PolarHBondContact N-OD2 2.97Å; D808-L825 HydrophobicContact CB-CB 3.92Å; D808-A833 WeakPolarHBondContact O-CB 3.03Å
809	G	82.7	Confident	89.8	Confident	3 Å²	3	16.2 Å²	16.2	3%	0.031	9%	0.088	C	C	.	.	S	Bend	trans	-91.4	168.4	-168.6	0	0	0	0	0	115.2	N811 D812 A833	G809-N811 VanDerWaalsContact C-N 3.3Å; G809-N811 WeakPolarHBondContact CA-OD1 3.05Å; G809-N811 PolarHBondContact O-N 2.99Å; G809-D812 PolarHBondContact O-N 2.96Å; G809-A833 WeakPolarHBondContact O-CB 3.16Å
810	G	76.4	Confident	90	Very high	14 Å²	14	15 Å²	15	14%	0.144	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-63.6	-33.4	174.8	0	0	0	0	0	113.8	Q196 D812 V813	Q196-G810 CarbonylContact O-C 3.55Å; Q196-G810 VanDerWaalsContact O-C 3.31Å; Q196-G810 WeakPolarHBondContact O-CA 3.48Å; G810-D812 VanDerWaalsContact C-N 3.26Å; G810-D812 PolarHBondContact O-N 3.11Å; G810-V813 VanDerWaalsContact O-CB 3.26Å; G810-V813 WeakPolarHBondContact O-CB 3.43Å; G810-V813 VanDerWaalsContact O-CG2 3.22Å; G810-V813 WeakPolarHBondContact O-CG2 3.42Å; G810-V813 PolarHBondContact O-N 3.21Å
811	N	81.6	Confident	90.3	Very high	10 Å²	10	6.6 Å²	6.6	5%	0.053	4%	0.043	C	C	.	.	G	3₁₀ helix	trans	-62	-29.7	176.2	63.2	-26.9	0	0	0	113	Q196 G199 P785 K788 G809 V813	Q196-N811 PolarHBondContact O-N 3.21Å; G199-N811 WeakPolarHBondContact CA-ND2 3.36Å; G199-N811 PolarHBondContact N-ND2 3.35Å; P785-N811 HydrophobicContact CB-CB 4.28Å; P785-N811 HydrophobicContact CG-CB 4.02Å; K788-N811 PolarHBondContact NZ-ND2 3.06Å; G809-N811 VanDerWaalsContact C-N 3.3Å; G809-N811 WeakPolarHBondContact CA-OD1 3.05Å; G809-N811 PolarHBondContact O-N 2.99Å; N811-V813 VanDerWaalsContact C-N 3.34Å
812	D	88.2	Confident	90.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.036	C	C	.	.	G	3₁₀ helix	trans	-84.1	-11	-179	-61.9	-39.6	0	0	0	113.2	D407 K788 G807 D808 G809 G810 G814 M815 I816	D407-D812 WeakPolarHBondContact CB-OD2 3.31Å; K788-D812 IonicContact NZ-OD1 3.86Å; K788-D812 PolarHBondContact NZ-OD1 3.22Å; G807-D812 WeakPolarHBondContact CA-OD2 3.27Å; D808-D812 PolarHBondContact N-OD2 2.97Å; G809-D812 PolarHBondContact O-N 2.96Å; G810-D812 VanDerWaalsContact C-N 3.26Å; G810-D812 PolarHBondContact O-N 3.11Å; D812-G814 PolarHBondContact O-N 3.2Å; D812-M815 HydrophobicContact CB-CE 3.95Å; D812-M815 WeakPolarHBondContact O-CB 3.44Å; D812-M815 PolarHBondContact O-N 3.45Å; D812-M815 VanDerWaalsContact O-N 3.09Å; D812-I816 HydrophobicContact CB-CD1 4.2Å; D812-I816 WeakPolarHBondContact O-CB 3.24Å; D812-I816 VanDerWaalsContact O-CG1 3.3Å; D812-I816 WeakPolarHBondContact O-CG1 3.4Å; D812-I816 PolarHBondContact O-N 3.09Å
813	V	85.7	Confident	90.5	Very high	17 Å²	17	5 Å²	5	10%	0.103	3%	0.033	C	C	.	.	H	α-helix	trans	-54.5	-41.9	179.7	170.7	0	0	0	0	111	G810 N811 I816 Q817 Q832 A836	G810-V813 VanDerWaalsContact O-CB 3.26Å; G810-V813 WeakPolarHBondContact O-CB 3.43Å; G810-V813 VanDerWaalsContact O-CG2 3.22Å; G810-V813 WeakPolarHBondContact O-CG2 3.42Å; G810-V813 PolarHBondContact O-N 3.21Å; N811-V813 VanDerWaalsContact C-N 3.34Å; V813-I816 PolarHBondContact O-N 2.92Å; V813-Q817 HydrophobicContact CG1-CG 4.37Å; V813-Q817 VanDerWaalsContact CG1-NE2 3.31Å; V813-Q817 WeakPolarHBondContact O-CB 3.45Å; V813-Q817 VanDerWaalsContact O-CG 3.28Å; V813-Q817 WeakPolarHBondContact O-CG 3.25Å; V813-Q817 PolarHBondContact O-N 3.33Å; V813-Q832 HydrophobicContact CG2-CB 4.38Å; V813-A836 HydrophobicContact CB-CB 4.22Å; V813-A836 HydrophobicContact CG1-CB 3.59Å; V813-A836 HydrophobicContact CG2-CB 3.88Å
814	G	87.1	Confident	90.4	Very high	3 Å²	3	5 Å²	5	3%	0.031	3%	0.033	C	C	.	.	H	α-helix	trans	-60.4	-47.9	177.9	0	0	0	0	0	112.8	S303 T789 D812 Q817 A818	S303-G814 WeakPolarHBondContact OG-CA 3.25Å; T789-G814 WeakPolarHBondContact OG1-CA 3.3Å; D812-G814 PolarHBondContact O-N 3.2Å; G814-Q817 PolarHBondContact O-N 3.41Å; G814-A818 WeakPolarHBondContact O-CB 3.32Å; G814-A818 PolarHBondContact O-N 3.45Å
815	M	91.7	Very high	90.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.2	-47.1	177.5	-173.7	-171	52.4	0	0	111.6	M405 L699 K788 T789 V792 A805 I806 D812 Q817 A818 S819	M405-M815 HydrophobicContact CB-SD 3.99Å; L699-M815 HydrophobicContact CD1-SD 3.83Å; K788-M815 HydrophobicContact CB-CB 4.17Å; K788-M815 HydrophobicContact CB-CG 4.39Å; K788-M815 HydrophobicContact CB-SD 4.45Å; T789-M815 PolarHBondContact OG1-N 3.05Å; V792-M815 HydrophobicContact CG2-CG 3.51Å; A805-M815 HydrophobicContact CB-CE 4.21Å; A805-M815 HydrophobicContact CB-CG 3.75Å; A805-M815 HydrophobicContact CB-SD 4.21Å; I806-M815 WeakPolarHBondContact O-CE 3.46Å; D812-M815 HydrophobicContact CB-CE 3.95Å; D812-M815 WeakPolarHBondContact O-CB 3.44Å; D812-M815 PolarHBondContact O-N 3.45Å; D812-M815 VanDerWaalsContact O-N 3.09Å; M815-Q817 PolarHBondContact O-N 3.41Å; M815-A818 PolarHBondContact O-N 2.88Å; M815-S819 PolarHBondContact O-N 2.77Å; M815-S819 VanDerWaalsContact O-N 3.16Å
816	I	91.3	Very high	89.7	Confident	1 Å²	1	8 Å²	8	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-61.4	-43.1	178.5	-71.6	171.6	0	0	0	111	K308 D812 V813 S819 L823 A833	K308-I816 PolarHBondContact NZ-O 3.46Å; D812-I816 HydrophobicContact CB-CD1 4.2Å; D812-I816 WeakPolarHBondContact O-CB 3.24Å; D812-I816 VanDerWaalsContact O-CG1 3.3Å; D812-I816 WeakPolarHBondContact O-CG1 3.4Å; D812-I816 PolarHBondContact O-N 3.09Å; V813-I816 PolarHBondContact O-N 2.92Å; I816-S819 PolarHBondContact O-OG 3.39Å; I816-L823 WeakPolarHBondContact CD1-O 3.43Å; I816-A833 HydrophobicContact CD1-CB 3.69Å
817	Q	88.8	Confident	88.5	Confident	22 Å²	22	8.9 Å²	8.9	10%	0.103	6%	0.058	C	C	.	.	H	α-helix	trans	-73	-35.2	-179.6	-71.2	-178.4	16	0	0	113.4	S303 K308 V813 G814 M815 S819	S303-Q817 PolarHBondContact O-OE1 3.48Å; S303-Q817 VanDerWaalsContact O-OE1 3.06Å; S303-Q817 PolarHBondContact OG-OE1 3.37Å; K308-Q817 WeakPolarHBondContact CE-O 3.36Å; V813-Q817 HydrophobicContact CG1-CG 4.37Å; V813-Q817 VanDerWaalsContact CG1-NE2 3.31Å; V813-Q817 WeakPolarHBondContact O-CB 3.45Å; V813-Q817 VanDerWaalsContact O-CG 3.28Å; V813-Q817 WeakPolarHBondContact O-CG 3.25Å; V813-Q817 PolarHBondContact O-N 3.33Å; G814-Q817 PolarHBondContact O-N 3.41Å; M815-Q817 PolarHBondContact O-N 3.41Å; Q817-S819 VanDerWaalsContact C-N 3.33Å
818	A	90.3	Very high	87.3	Confident	15 Å²	15	17.1 Å²	17.1	12%	0.124	9%	0.094	C	C	.	.	H	α-helix	trans	-72.1	-26.9	178.5	0	0	0	0	0	113.6	T789 V792 G814 M815	T789-A818 HydrophobicContact CG2-CB 3.73Å; V792-A818 HydrophobicContact CB-CB 4.41Å; V792-A818 HydrophobicContact CG1-CB 4.13Å; G814-A818 WeakPolarHBondContact O-CB 3.32Å; G814-A818 PolarHBondContact O-N 3.45Å; M815-A818 PolarHBondContact O-N 2.88Å
819	S	93.5	Very high	85.9	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-65.9	159.2	178.9	73.4	0	0	0	0	113.1	K308 V792 M815 I816 Q817 L821 G822	K308-S819 WeakPolarHBondContact CD-O 3.34Å; K308-S819 WeakPolarHBondContact CE-O 3.49Å; K308-S819 PolarHBondContact NZ-O 3.49Å; K308-S819 PolarHBondContact NZ-OG 2.99Å; V792-S819 VanDerWaalsContact CG1-CA 3.45Å; M815-S819 PolarHBondContact O-N 2.77Å; M815-S819 VanDerWaalsContact O-N 3.16Å; I816-S819 PolarHBondContact O-OG 3.39Å; Q817-S819 VanDerWaalsContact C-N 3.33Å; S819-L821 VanDerWaalsContact C-N 3.25Å; S819-L821 PolarHBondContact OG-O 3.46Å; S819-G822 PolarHBondContact OG-N 2.87Å
820	D	93.8	Very high	85.1	Confident	9 Å²	9	19.3 Å²	19.3	5%	0.048	11%	0.106	C	C	.	.	S	Bend	trans	-71.8	-25.1	171.1	-67	-56.9	0	0	0	111.8	R796 R802 V803	R796-D820 WeakPolarHBondContact CD-OD1 3.44Å; R796-D820 WeakPolarHBondContact CD-OD2 3.38Å; R796-D820 IonicContact CZ-OD1 2.76Å; R796-D820 IonicContact NE-OD1 3.69Å; R796-D820 PolarHBondContact NE-OD1 3.25Å; R796-D820 IonicContact NE-OD2 3.65Å; R802-D820 IonicContact CZ-OD1 3.21Å; R802-D820 IonicContact NH1-OD1 2.71Å; R802-D820 PolarHBondContact NH1-OD1 3.1Å; R802-D820 IonicContact NH1-OD2 3.1Å; V803-D820 PolarHBondContact N-OD2 2.86Å; V803-D820 PolarHBondContact O-N 2.86Å
821	L	94.4	Very high	84.9	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	115.6	176.7	177.7	77.7	0	0	0	110.7	I394 L398 I401 V803 A804 A805 S819 L823 F839 L851	I394-L821 HydrophobicContact CD1-CD1 3.97Å; L398-L821 HydrophobicContact CD2-CD1 3.73Å; L398-L821 HydrophobicContact CD2-CD2 3.58Å; L398-L821 HydrophobicContact CD2-CG 4.28Å; L398-L821 HydrophobicContact CG-CD1 4.48Å; I401-L821 HydrophobicContact CD1-CB 3.73Å; I401-L821 HydrophobicContact CD1-CD2 3.75Å; I401-L821 HydrophobicContact CD1-CG 4.38Å; I401-L821 HydrophobicContact CG1-CD2 3.74Å; V803-L821 PolarHBondContact O-N 2.94Å; A804-L821 CarbonylContact C-O 3.52Å; A804-L821 WeakPolarHBondContact CA-O 3.34Å; A804-L821 HydrophobicContact CB-CB 4.13Å; A804-L821 HydrophobicContact CB-CD2 3.93Å; A804-L821 HydrophobicContact CB-CG 4.42Å; A805-L821 PolarHBondContact N-O 3.38Å; S819-L821 VanDerWaalsContact C-N 3.25Å; S819-L821 PolarHBondContact OG-O 3.46Å; L821-L823 HydrophobicContact CD2-CD2 4.12Å; L821-L823 HydrophobicContact CD2-CG 4.45Å; L821-L823 HydrophobicContact CG-CD2 4.2Å; L821-F839 HydrophobicContact CD1-CD2 3.58Å; L821-F839 HydrophobicContact CD1-CE2 3.42Å; L821-F839 VanDerWaalsContact CD1-CE2 3.42Å; L821-L851 HydrophobicContact CD2-CD2 4.15Å
822	G	94.2	Very high	84.6	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.3	179.1	0	0	0	0	0	112.2	S819 D838 F839	S819-G822 PolarHBondContact OG-N 2.87Å; G822-D838 WeakPolarHBondContact CA-OD2 3.24Å; G822-D838 PolarHBondContact N-OD2 3.28Å; G822-D838 WeakPolarHBondContact O-CB 3.4Å; G822-D838 PolarHBondContact O-N 2.9Å; G822-F839 PolarHBondContact O-N 2.77Å; G822-F839 VanDerWaalsContact O-N 3.11Å
823	L	95.3	Very high	84.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131	174.7	-54.2	179.3	0	0	0	109	L404 A805 I806 G807 I816 L821 F839 V847 L850	L404-L823 HydrophobicContact CD1-CD1 4.43Å; A805-L823 PolarHBondContact O-N 3.29Å; I806-L823 WeakPolarHBondContact CA-O 3.17Å; I806-L823 HydrophobicContact CB-CB 3.93Å; I806-L823 HydrophobicContact CB-CD1 4.45Å; I806-L823 HydrophobicContact CD1-CB 4.08Å; I806-L823 HydrophobicContact CD1-CD1 4.32Å; I806-L823 HydrophobicContact CG1-CB 3.88Å; G807-L823 PolarHBondContact N-O 3.47Å; I816-L823 WeakPolarHBondContact CD1-O 3.43Å; L821-L823 HydrophobicContact CD2-CD2 4.12Å; L821-L823 HydrophobicContact CD2-CG 4.45Å; L821-L823 HydrophobicContact CG-CD2 4.2Å; L823-F839 CarbonylContact C-O 3.6Å; L823-F839 WeakPolarHBondContact CA-O 3.46Å; L823-F839 HydrophobicContact CD2-CB 3.76Å; L823-F839 HydrophobicContact CD2-CD2 4.25Å; L823-F839 HydrophobicContact CD2-CG 4.3Å; L823-V847 HydrophobicContact CD1-CG1 4.09Å; L823-V847 HydrophobicContact CD1-CG2 4.13Å; L823-L850 HydrophobicContact CD2-CD2 3.94Å
824	G	93.1	Very high	84.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	126.8	179.2	0	0	0	0	0	110.9	G807 S837 F839 S840 L841	G807-G824 WeakPolarHBondContact O-CA 3.3Å; G824-S837 PolarHBondContact N-OG 3.19Å; G824-F839 PolarHBondContact N-O 3.47Å; G824-S840 CarbonylContact O-C 3.51Å; G824-S840 VanDerWaalsContact O-CA 3.23Å; G824-S840 WeakPolarHBondContact O-CA 3.39Å; G824-L841 PolarHBondContact O-N 3.48Å
825	L	92.3	Very high	83.8	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	149.7	174.3	-66.6	175.3	0	0	0	111.2	T411 I806 G807 D808 G827 L841	T411-L825 HydrophobicContact CG2-CD1 3.72Å; I806-L825 HydrophobicContact CD1-CD1 4.15Å; I806-L825 HydrophobicContact CD1-CD2 4.11Å; I806-L825 HydrophobicContact CD1-CG 4.01Å; I806-L825 HydrophobicContact CG1-CD1 4.27Å; I806-L825 HydrophobicContact CG1-CG 4.1Å; G807-L825 PolarHBondContact O-N 3.07Å; D808-L825 HydrophobicContact CB-CB 3.92Å; L825-G827 VanDerWaalsContact C-N 3.35Å; L825-G827 PolarHBondContact O-N 2.92Å; L825-G827 VanDerWaalsContact O-N 3.08Å; L825-L841 CarbonylContact C-O 3.24Å; L825-L841 WeakPolarHBondContact CA-O 3.43Å; L825-L841 HydrophobicContact CD2-CB 3.9Å
826	L	85.4	Confident	83.2	Confident	62 Å²	62	31.1 Å²	31.1	33%	0.325	16%	0.155	S	C	.	.			trans	-75.2	89.5	168.7	-66.7	174.1	0	0	0	108.7	N386 L841 A842	N386-L826 HydrophobicContact CB-CD1 4.43Å; L826-L841 PolarHBondContact N-O 3.15Å; L826-A842 HydrophobicContact CD1-CB 4.35Å
827	G	70.2	Confident	83.2	Confident	17 Å²	17	31.3 Å²	31.3	18%	0.175	16%	0.156	C	C	.	.			trans	-65.6	151	176	0	0	0	0	0	112.7	L825 E829	L825-G827 VanDerWaalsContact C-N 3.35Å; L825-G827 PolarHBondContact O-N 2.92Å; L825-G827 VanDerWaalsContact O-N 3.08Å; G827-E829 VanDerWaalsContact C-N 3.3Å
828	K	67	Low	83.3	Confident	174 Å²	174	30.8 Å²	30.8	76%	0.757	15%	0.154	S	C	*	.	S	Bend	trans	-66.8	-34.6	171.6	-68.6	179.6	-178	170.2	0	111.4
829	E	61.2	Low	83.4	Confident	47 Å²	47	30 Å²	30	22%	0.22	15%	0.148	C	C	.	.	S	Bend	trans	-93.7	-18.8	-169.8	-49	-164.6	104.4	0	0	112.5	R193 D195 Q196 G827	R193-E829 IonicContact CZ-OE1 3.39Å; R193-E829 IonicContact NE-OE1 3.31Å; R193-E829 IonicContact NH1-OE1 2.69Å; R193-E829 PolarHBondContact NH1-OE1 3.27Å; D195-E829 WeakPolarHBondContact OD2-CB 3.36Å; Q196-E829 PolarHBondContact NE2-O 2.81Å; G827-E829 VanDerWaalsContact C-N 3.3Å
830	G	65.3	Low	83.4	Confident	12 Å²	12	30.1 Å²	30.1	12%	0.124	15%	0.148	C	C	.	.			trans	-179.3	170.1	172.7	0	0	0	0	0	114.1	Q196	Q196-G830 VanDerWaalsContact NE2-CA 3.31Å
831	R	73.4	Confident	83.4	Confident	171 Å²	171	29.7 Å²	29.7	65%	0.645	15%	0.146	S	C	*	.	S	Bend	trans	-108.6	14.5	-177.6	-62.6	-178	-179.3	174.7	0.1	113.2	S834 L835	R831-S834 PolarHBondContact O-N 3.14Å; R831-L835 HydrophobicContact CB-CD1 4.14Å; R831-L835 HydrophobicContact CB-CG 4.26Å; R831-L835 WeakPolarHBondContact O-CB 3.38Å; R831-L835 WeakPolarHBondContact O-CD1 3.27Å; R831-L835 WeakPolarHBondContact O-CG 3.45Å; R831-L835 PolarHBondContact O-N 3.27Å
832	Q	74.5	Confident	83.3	Confident	34 Å²	34	31 Å²	31	16%	0.159	16%	0.157	C	C	.	.	H	α-helix	trans	-65	-47.8	-170.4	-67.4	-169.4	-8.9	0	0	113.2	N277 V813 L835 A836	N277-Q832 PolarHBondContact ND2-NE2 3.21Å; N277-Q832 VanDerWaalsContact ND2-NE2 3.15Å; N277-Q832 PolarHBondContact OD1-NE2 2.71Å; N277-Q832 VanDerWaalsContact OD1-NE2 3.14Å; V813-Q832 HydrophobicContact CG2-CB 4.38Å; Q832-L835 PolarHBondContact O-N 2.59Å; Q832-A836 WeakPolarHBondContact O-CB 3.43Å; Q832-A836 PolarHBondContact O-N 3Å
833	A	82.5	Confident	83.2	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-46.9	174.5	0	0	0	0	0	111.3	G807 D808 G809 I816 L835 A836 S837	G807-A833 WeakPolarHBondContact O-CB 3.29Å; D808-A833 WeakPolarHBondContact O-CB 3.03Å; G809-A833 WeakPolarHBondContact O-CB 3.16Å; I816-A833 HydrophobicContact CD1-CB 3.69Å; A833-L835 VanDerWaalsContact C-N 3.29Å; A833-L835 PolarHBondContact O-N 3.01Å; A833-A836 PolarHBondContact O-N 2.88Å; A833-S837 VanDerWaalsContact O-CB 3.25Å; A833-S837 WeakPolarHBondContact O-CB 3.42Å; A833-S837 PolarHBondContact O-N 2.89Å; A833-S837 PolarHBondContact O-OG 3.3Å
834	S	82.8	Confident	83.1	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-53.2	-47.6	174	169.1	0	0	0	0	111	R390 R831 A836 S837 S840	R390-S834 WeakPolarHBondContact CD-O 3.26Å; R390-S834 PolarHBondContact NE-O 3.18Å; R831-S834 PolarHBondContact O-N 3.14Å; S834-A836 PolarHBondContact O-N 3.15Å; S834-S837 PolarHBondContact O-N 3.16Å; S834-S837 PolarHBondContact O-OG 3.46Å; S834-S840 PolarHBondContact O-OG 3.4Å; S834-S840 WeakPolarHBondContact OG-CB 3.39Å; S834-S840 PolarHBondContact OG-OG 3.07Å
835	L	79.3	Confident	83.2	Confident	55 Å²	55	37.2 Å²	37.2	29%	0.288	19%	0.185	S	C	.	.	H	α-helix	trans	-65.5	-39.5	-179.9	-67.5	163.8	0	0	0	112	R135 R831 Q832 A833	R135-L835 HydrophobicContact CG-CD2 4.11Å; R135-L835 PolarHBondContact NH1-O 3.05Å; R831-L835 HydrophobicContact CB-CD1 4.14Å; R831-L835 HydrophobicContact CB-CG 4.26Å; R831-L835 WeakPolarHBondContact O-CB 3.38Å; R831-L835 WeakPolarHBondContact O-CD1 3.27Å; R831-L835 WeakPolarHBondContact O-CG 3.45Å; R831-L835 PolarHBondContact O-N 3.27Å; Q832-L835 PolarHBondContact O-N 2.59Å; A833-L835 VanDerWaalsContact C-N 3.29Å; A833-L835 PolarHBondContact O-N 3.01Å
836	A	79.3	Confident	83.3	Confident	32 Å²	32	37.9 Å²	37.9	26%	0.264	19%	0.188	S	C	.	.	H	α-helix	trans	-79.1	-17.4	-179.9	0	0	0	0	0	114.4	V813 Q832 A833 S834	V813-A836 HydrophobicContact CB-CB 4.22Å; V813-A836 HydrophobicContact CG1-CB 3.59Å; V813-A836 HydrophobicContact CG2-CB 3.88Å; Q832-A836 WeakPolarHBondContact O-CB 3.43Å; Q832-A836 PolarHBondContact O-N 3Å; A833-A836 PolarHBondContact O-N 2.88Å; S834-A836 PolarHBondContact O-N 3.15Å
837	S	89.8	Confident	83.8	Confident	5 Å²	5	34.9 Å²	34.9	4%	0.035	17%	0.172	C	C	.	.	S	Bend	trans	-71.7	160.2	-176.9	68.6	0	0	0	0	114.5	R390 G824 A833 S834 F839 S840	R390-S837 WeakPolarHBondContact CB-O 2.99Å; R390-S837 WeakPolarHBondContact CD-O 3.46Å; G824-S837 PolarHBondContact N-OG 3.19Å; A833-S837 VanDerWaalsContact O-CB 3.25Å; A833-S837 WeakPolarHBondContact O-CB 3.42Å; A833-S837 PolarHBondContact O-N 2.89Å; A833-S837 PolarHBondContact O-OG 3.3Å; S834-S837 PolarHBondContact O-N 3.16Å; S834-S837 PolarHBondContact O-OG 3.46Å; S837-F839 PolarHBondContact OG-O 3.05Å; S837-F839 VanDerWaalsContact OG-O 3.1Å; S837-S840 PolarHBondContact OG-OG 3.39Å
838	D	91	Very high	85	Confident	11 Å²	11	35.2 Å²	35.2	6%	0.059	17%	0.171	C	C	.	.	S	Bend	trans	-78.9	-37.5	170.3	-58.9	-64.1	0	0	0	111	K308 R390 N391 I394 G822	K308-D838 WeakPolarHBondContact CD-OD2 3.31Å; K308-D838 WeakPolarHBondContact CE-OD2 3.31Å; K308-D838 IonicContact NZ-OD2 3.19Å; K308-D838 PolarHBondContact NZ-OD2 3.31Å; R390-D838 PolarHBondContact N-O 3.46Å; N391-D838 HydrophobicContact CB-CB 3.92Å; N391-D838 VanDerWaalsContact CB-OD1 3.32Å; N391-D838 WeakPolarHBondContact CB-OD1 3.28Å; N391-D838 PolarHBondContact N-O 2.64Å; N391-D838 VanDerWaalsContact N-O 3.16Å; N391-D838 PolarHBondContact ND2-OD1 3.06Å; I394-D838 HydrophobicContact CD1-CB 3.96Å; G822-D838 WeakPolarHBondContact CA-OD2 3.24Å; G822-D838 PolarHBondContact N-OD2 3.28Å; G822-D838 WeakPolarHBondContact O-CB 3.4Å; G822-D838 PolarHBondContact O-N 2.9Å
839	F	94	Very high	86.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.2	175.6	-63.3	-96.2	0	0	0	110	I378 V389 I394 L398 L821 G822 L823 G824 S837 L850	I378-F839 HydrophobicContact CD1-CE1 4.05Å; V389-F839 HydrophobicContact CB-CD1 4.36Å; V389-F839 HydrophobicContact CB-CE1 4.23Å; V389-F839 HydrophobicContact CG1-CD1 4.15Å; V389-F839 HydrophobicContact CG1-CE1 3.67Å; V389-F839 HydrophobicContact CG1-CZ 4.14Å; V389-F839 HydrophobicContact CG2-CD1 3.8Å; V389-F839 HydrophobicContact CG2-CE1 3.68Å; I394-F839 HydrophobicContact CG1-CE2 4.33Å; L398-F839 HydrophobicContact CD1-CE1 3.88Å; L398-F839 HydrophobicContact CD1-CE2 4.45Å; L398-F839 HydrophobicContact CD1-CZ 3.81Å; L398-F839 HydrophobicContact CD2-CD2 4.2Å; L398-F839 HydrophobicContact CD2-CE2 3.97Å; L398-F839 HydrophobicContact CD2-CZ 4.16Å; L398-F839 HydrophobicContact CG-CE2 4.25Å; L398-F839 HydrophobicContact CG-CZ 4.05Å; L821-F839 HydrophobicContact CD1-CD2 3.58Å; L821-F839 HydrophobicContact CD1-CE2 3.42Å; L821-F839 VanDerWaalsContact CD1-CE2 3.42Å; G822-F839 PolarHBondContact O-N 2.77Å; G822-F839 VanDerWaalsContact O-N 3.11Å; L823-F839 CarbonylContact C-O 3.6Å; L823-F839 WeakPolarHBondContact CA-O 3.46Å; L823-F839 HydrophobicContact CD2-CB 3.76Å; L823-F839 HydrophobicContact CD2-CD2 4.25Å; L823-F839 HydrophobicContact CD2-CG 4.3Å; G824-F839 PolarHBondContact N-O 3.47Å; S837-F839 PolarHBondContact OG-O 3.05Å; S837-F839 VanDerWaalsContact OG-O 3.1Å; F839-L850 HydrophobicContact CB-CD2 4.15Å; F839-L850 HydrophobicContact CD1-CD1 4.26Å; F839-L850 HydrophobicContact CD1-CD2 4.22Å; F839-L850 HydrophobicContact CG-CD2 4.19Å
840	S	92.7	Very high	88	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.6	173.8	-62.2	0	0	0	0	111.2	C387 L388 R390 G824 S834 S837	C387-S840 WeakPolarHBondContact CA-O 3.25Å; L388-S840 PolarHBondContact N-O 2.67Å; L388-S840 PolarHBondContact O-N 3.49Å; R390-S840 PolarHBondContact NE-OG 2.94Å; G824-S840 CarbonylContact O-C 3.51Å; G824-S840 VanDerWaalsContact O-CA 3.23Å; G824-S840 WeakPolarHBondContact O-CA 3.39Å; S834-S840 PolarHBondContact O-OG 3.4Å; S834-S840 WeakPolarHBondContact OG-CB 3.39Å; S834-S840 PolarHBondContact OG-OG 3.07Å; S837-S840 PolarHBondContact OG-OG 3.39Å
841	L	93.9	Very high	89.4	Confident	1 Å²	1	25 Å²	25	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.8	-178.7	-61.5	173.2	0	0	0	110.5	C387 G824 L825 L826 H846 V847 L850	C387-L841 HydrophobicContact CB-CD2 4.26Å; G824-L841 PolarHBondContact O-N 3.48Å; L825-L841 CarbonylContact C-O 3.24Å; L825-L841 WeakPolarHBondContact CA-O 3.43Å; L825-L841 HydrophobicContact CD2-CB 3.9Å; L826-L841 PolarHBondContact N-O 3.15Å; L841-H846 HydrophobicContact CD2-CB 4.18Å; L841-V847 HydrophobicContact CD1-CB 4.47Å; L841-V847 HydrophobicContact CD1-CG2 3.56Å; L841-L850 HydrophobicContact CD1-CD2 4.21Å; L841-L850 HydrophobicContact CD2-CD2 4.19Å
842	A	91.3	Very high	90.4	Very high	28 Å²	28	17 Å²	17	23%	0.231	9%	0.093	C	C	.	.	S	Bend	trans	-77.3	-32.9	176.9	0	0	0	0	0	113.7	L826	L826-A842 HydrophobicContact CD1-CB 4.35Å
843	Q	92.4	Very high	91.4	Very high	53 Å²	53	15.4 Å²	15.4	25%	0.248	9%	0.086	C	C	.	.	S	Bend	trans	-150.9	155.9	-173.9	-67	-174.3	-33.2	0	0	109.8	K845 H846	Q843-K845 VanDerWaalsContact C-N 3.32Å; Q843-K845 HydrophobicContact CB-CG 4.33Å; Q843-K845 PolarHBondContact O-N 3.2Å; Q843-H846 PolarHBondContact N-ND1 3.48Å; Q843-H846 WeakPolarHBondContact O-CB 3.49Å; Q843-H846 PolarHBondContact O-N 3.24Å; Q843-H846 PolarHBondContact O-ND1 3.44Å
844	F	94.3	Very high	92	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-36.2	-179.4	-173.1	-88.3	0	0	0	113.5	L404 T411 L412 V682 A685 L686 L689 I806 H846 V847	L404-F844 HydrophobicContact CD2-CZ 4.28Å; T411-F844 HydrophobicContact CG2-CD2 4.21Å; L412-F844 HydrophobicContact CD2-CD1 4.37Å; L412-F844 HydrophobicContact CD2-CD2 3.84Å; L412-F844 HydrophobicContact CD2-CE1 4.17Å; L412-F844 HydrophobicContact CD2-CE2 3.61Å; L412-F844 HydrophobicContact CD2-CG 4.23Å; L412-F844 HydrophobicContact CD2-CZ 3.8Å; V682-F844 HydrophobicContact CB-CD1 4.49Å; V682-F844 HydrophobicContact CG1-CD1 4.45Å; V682-F844 HydrophobicContact CG2-CB 4.01Å; V682-F844 HydrophobicContact CG2-CD1 4.05Å; V682-F844 HydrophobicContact CG2-CG 4.24Å; A685-F844 HydrophobicContact CB-CD1 3.99Å; A685-F844 HydrophobicContact CB-CE1 3.95Å; L686-F844 HydrophobicContact CD2-CE1 3.8Å; L686-F844 HydrophobicContact CD2-CZ 3.6Å; L686-F844 HydrophobicContact CG-CE1 3.93Å; L686-F844 HydrophobicContact CG-CZ 4.23Å; L689-F844 HydrophobicContact CD1-CE1 4.43Å; L689-F844 HydrophobicContact CD1-CZ 4.31Å; I806-F844 HydrophobicContact CD1-CD2 3.85Å; I806-F844 HydrophobicContact CD1-CE2 4.18Å; I806-F844 HydrophobicContact CG2-CE2 3.99Å; F844-H846 PolarHBondContact O-N 2.95Å; F844-V847 VanDerWaalsContact O-CB 3.26Å; F844-V847 WeakPolarHBondContact O-CB 3.23Å; F844-V847 WeakPolarHBondContact O-CG2 3.41Å; F844-V847 PolarHBondContact O-N 3.17Å
845	K	94	Very high	92.6	Very high	77 Å²	77	16.4 Å²	16.4	34%	0.335	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.8	-178.3	74.1	-169.2	-171	-157.8	0	113.8	Q843 V847 T848	Q843-K845 VanDerWaalsContact C-N 3.32Å; Q843-K845 HydrophobicContact CB-CG 4.33Å; Q843-K845 PolarHBondContact O-N 3.2Å; K845-V847 PolarHBondContact O-N 3.2Å; K845-T848 PolarHBondContact O-N 3.31Å; K845-T848 PolarHBondContact O-OG1 2.96Å
846	H	95.3	Very high	93.2	Very high	15 Å²	15	14 Å²	14	7%	0.069	8%	0.077	C	C	.	.	H	α-helix	trans	-67.1	-17.3	-179.4	-60.6	139.2	0	0	0	113.3	L384 L841 Q843 F844 T848 Q849 L850	L384-H846 HydrophobicContact CD2-CB 3.63Å; L384-H846 WeakPolarHBondContact CD2-O 3.44Å; L841-H846 HydrophobicContact CD2-CB 4.18Å; Q843-H846 PolarHBondContact N-ND1 3.48Å; Q843-H846 WeakPolarHBondContact O-CB 3.49Å; Q843-H846 PolarHBondContact O-N 3.24Å; Q843-H846 PolarHBondContact O-ND1 3.44Å; F844-H846 PolarHBondContact O-N 2.95Å; H846-T848 PolarHBondContact O-N 3.24Å; H846-Q849 PolarHBondContact O-N 2.9Å; H846-L850 WeakPolarHBondContact O-CB 3.36Å; H846-L850 PolarHBondContact O-N 3.47Å
847	V	95.7	Very high	93.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58.9	-36.6	174.6	176.9	0	0	0	0	111.2	L689 I806 L823 L841 F844 K845 L850 L851	L689-V847 HydrophobicContact CD1-CG1 4.27Å; L689-V847 HydrophobicContact CD2-CG1 4.36Å; I806-V847 HydrophobicContact CD1-CG2 3.52Å; L823-V847 HydrophobicContact CD1-CG1 4.09Å; L823-V847 HydrophobicContact CD1-CG2 4.13Å; L841-V847 HydrophobicContact CD1-CB 4.47Å; L841-V847 HydrophobicContact CD1-CG2 3.56Å; F844-V847 VanDerWaalsContact O-CB 3.26Å; F844-V847 WeakPolarHBondContact O-CB 3.23Å; F844-V847 WeakPolarHBondContact O-CG2 3.41Å; F844-V847 PolarHBondContact O-N 3.17Å; K845-V847 PolarHBondContact O-N 3.2Å; V847-L850 PolarHBondContact O-N 3Å; V847-L851 HydrophobicContact CG1-CD1 3.7Å; V847-L851 HydrophobicContact CG1-CG 4.19Å; V847-L851 WeakPolarHBondContact O-CB 3.28Å; V847-L851 WeakPolarHBondContact O-CG 3.28Å; V847-L851 PolarHBondContact O-N 2.78Å
848	T	94.9	Very high	94.1	Very high	24 Å²	24	13.1 Å²	13.1	15%	0.147	7%	0.068	C	C	.	.	H	α-helix	trans	-62.1	-50.7	178.4	56.8	0	0	0	0	111.9	A685 A688 L689 K845 H846 L850 L851 L852	A685-T848 VanDerWaalsContact CA-CG2 3.49Å; A685-T848 HydrophobicContact CB-CG2 3.61Å; A688-T848 HydrophobicContact CB-CG2 4.09Å; L689-T848 HydrophobicContact CG-CG2 4.49Å; K845-T848 PolarHBondContact O-N 3.31Å; K845-T848 PolarHBondContact O-OG1 2.96Å; H846-T848 PolarHBondContact O-N 3.24Å; T848-L850 VanDerWaalsContact C-N 3.34Å; T848-L850 PolarHBondContact O-N 3.48Å; T848-L851 PolarHBondContact O-N 2.85Å; T848-L852 WeakPolarHBondContact O-CB 3.41Å; T848-L852 VanDerWaalsContact O-CG 3.25Å; T848-L852 WeakPolarHBondContact O-CG 3.41Å; T848-L852 PolarHBondContact O-N 2.64Å
849	Q	95	Very high	94.3	Very high	17 Å²	17	12.6 Å²	12.6	8%	0.079	7%	0.065	C	C	.	.	H	α-helix	trans	-61.2	-43.5	177.4	179.6	68.2	6.5	0	0	111.1	D381 A383 L384 H846 V853 H854	D381-Q849 PolarHBondContact OD2-NE2 2.94Å; D381-Q849 VanDerWaalsContact OD2-NE2 3.14Å; A383-Q849 HydrophobicContact CB-CG 4Å; L384-Q849 HydrophobicContact CD1-CG 4.15Å; L384-Q849 HydrophobicContact CD2-CB 3.8Å; L384-Q849 HydrophobicContact CD2-CG 3.76Å; L384-Q849 HydrophobicContact CG-CB 4.36Å; L384-Q849 HydrophobicContact CG-CG 3.74Å; H846-Q849 PolarHBondContact O-N 2.9Å; Q849-V853 WeakPolarHBondContact O-CB 3.2Å; Q849-V853 PolarHBondContact O-N 2.88Å; Q849-H854 PolarHBondContact O-N 3.09Å
850	L	96	Very high	94.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	I	π-helix	trans	-62.4	-45.1	179.5	-177.1	65.8	0	0	0	112.3	I378 L384 L398 L823 F839 L841 H846 V847 T848 H854 G855	I378-L850 HydrophobicContact CD1-CD1 4.28Å; I378-L850 HydrophobicContact CG1-CD1 4.47Å; I378-L850 HydrophobicContact CG2-CD1 3.78Å; L384-L850 HydrophobicContact CD1-CD1 4.37Å; L398-L850 HydrophobicContact CD1-CD1 3.7Å; L398-L850 HydrophobicContact CD1-CG 4.01Å; L398-L850 HydrophobicContact CD2-CD1 4.46Å; L398-L850 HydrophobicContact CD2-CD2 3.94Å; L398-L850 HydrophobicContact CD2-CG 3.94Å; L823-L850 HydrophobicContact CD2-CD2 3.94Å; F839-L850 HydrophobicContact CB-CD2 4.15Å; F839-L850 HydrophobicContact CD1-CD1 4.26Å; F839-L850 HydrophobicContact CD1-CD2 4.22Å; F839-L850 HydrophobicContact CG-CD2 4.19Å; L841-L850 HydrophobicContact CD1-CD2 4.21Å; L841-L850 HydrophobicContact CD2-CD2 4.19Å; H846-L850 WeakPolarHBondContact O-CB 3.36Å; H846-L850 PolarHBondContact O-N 3.47Å; V847-L850 PolarHBondContact O-N 3Å; T848-L850 VanDerWaalsContact C-N 3.34Å; T848-L850 PolarHBondContact O-N 3.48Å; L850-H854 HydrophobicContact CD1-CB 4.47Å; L850-H854 WeakPolarHBondContact O-CB 3.31Å; L850-G855 PolarHBondContact O-N 2.91Å
851	L	95.4	Very high	94.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	I	π-helix	trans	-81.6	-50.5	-176.9	-64.2	178.2	0	0	0	112.6	L398 I401 L689 I694 L821 V847 T848 G855 R856 Y933	L398-L851 HydrophobicContact CB-CD2 4.14Å; L398-L851 HydrophobicContact CD2-CD2 3.86Å; L398-L851 WeakPolarHBondContact O-CD2 3.21Å; I401-L851 HydrophobicContact CG1-CD2 4.18Å; L689-L851 HydrophobicContact CD2-CD1 3.84Å; I694-L851 HydrophobicContact CD1-CD1 3.95Å; L821-L851 HydrophobicContact CD2-CD2 4.15Å; V847-L851 HydrophobicContact CG1-CD1 3.7Å; V847-L851 HydrophobicContact CG1-CG 4.19Å; V847-L851 WeakPolarHBondContact O-CB 3.28Å; V847-L851 WeakPolarHBondContact O-CG 3.28Å; V847-L851 PolarHBondContact O-N 2.78Å; T848-L851 PolarHBondContact O-N 2.85Å; L851-G855 WeakPolarHBondContact O-CA 3.47Å; L851-G855 PolarHBondContact O-N 3.45Å; L851-R856 PolarHBondContact O-N 3.34Å; L851-Y933 HydrophobicContact CB-CE2 4.28Å; L851-Y933 WeakPolarHBondContact O-CE2 3.33Å
852	L	94.9	Very high	94.3	Very high	3 Å²	3	14 Å²	14	2%	0.016	7%	0.071	C	C	.	.	I	π-helix	trans	-72.8	-36	-170.9	-57.7	-179.6	0	0	0	112.6	A688 A692 T848 R856 P930 Y933	A688-L852 HydrophobicContact CB-CD1 4.44Å; A692-L852 HydrophobicContact CB-CD2 3.64Å; T848-L852 WeakPolarHBondContact O-CB 3.41Å; T848-L852 VanDerWaalsContact O-CG 3.25Å; T848-L852 WeakPolarHBondContact O-CG 3.41Å; T848-L852 PolarHBondContact O-N 2.64Å; L852-R856 VanDerWaalsContact O-CB 3.29Å; L852-R856 WeakPolarHBondContact O-CB 3.33Å; L852-P930 HydrophobicContact CD1-CB 4.01Å; L852-P930 HydrophobicContact CD1-CG 4.21Å; L852-P930 HydrophobicContact CD2-CB 4.34Å; L852-Y933 HydrophobicContact CD2-CD2 3.99Å; L852-Y933 HydrophobicContact CD2-CG 3.86Å
853	V	94.6	Very high	94.3	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.012	6%	0.06	C	C	.	.	I	π-helix	trans	-95.5	-67.7	-179.4	-176.2	0	0	0	0	110.4	Q849 R856 N857 D923 A926 I927	Q849-V853 WeakPolarHBondContact O-CB 3.2Å; Q849-V853 PolarHBondContact O-N 2.88Å; V853-R856 PolarHBondContact O-N 2.96Å; V853-N857 VanDerWaalsContact O-CG 3.31Å; V853-N857 PolarHBondContact O-N 3.18Å; V853-N857 VanDerWaalsContact O-N 3.11Å; V853-N857 PolarHBondContact O-ND2 2.72Å; V853-D923 HydrophobicContact CG1-CB 3.83Å; V853-D923 WeakPolarHBondContact CG1-OD1 3.43Å; V853-D923 HydrophobicContact CG2-CB 4.28Å; V853-A926 HydrophobicContact CG2-CB 4.17Å; V853-I927 HydrophobicContact CG2-CD1 4.33Å; V853-I927 HydrophobicContact CG2-CG1 3.91Å
854	H	95.5	Very high	94.3	Very high	21 Å²	21	11.6 Å²	11.6	10%	0.097	6%	0.061	C	C	.	.	I	π-helix	trans	-67.5	-44.6	-173.8	-69.3	-75.8	0	0	0	112	I378 D381 Q849 L850 R856 N857 C858	I378-H854 HydrophobicContact CD1-CB 4.22Å; I378-H854 HydrophobicContact CG1-CB 3.87Å; D381-H854 IonicContact OD2-CD2 3.58Å; D381-H854 IonicContact OD2-CE1 3.92Å; D381-H854 IonicContact OD2-NE2 2.71Å; D381-H854 PolarHBondContact OD2-NE2 3.37Å; Q849-H854 PolarHBondContact O-N 3.09Å; L850-H854 HydrophobicContact CD1-CB 4.47Å; L850-H854 WeakPolarHBondContact O-CB 3.31Å; H854-R856 VanDerWaalsContact C-N 3.3Å; H854-R856 PolarHBondContact O-N 3.42Å; H854-N857 PolarHBondContact O-N 3.42Å; H854-C858 WeakPolarHBondContact O-CB 3.43Å; H854-C858 PolarHBondContact O-N 2.88Å; H854-C858 PolarHBondContact O-SG 2.78Å
855	G	94.7	Very high	94.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-60.1	-39.2	178.5	0	0	0	0	0	113.7	G399 L850 L851 Y859	G399-G855 VanDerWaalsContact CA-C 3.49Å; G399-G855 WeakPolarHBondContact CA-O 3.44Å; G399-G855 PolarHBondContact N-O 2.92Å; L850-G855 PolarHBondContact O-N 2.91Å; L851-G855 WeakPolarHBondContact O-CA 3.47Å; L851-G855 PolarHBondContact O-N 3.45Å; G855-Y859 WeakPolarHBondContact O-CB 3.43Å; G855-Y859 PolarHBondContact O-N 2.71Å; G855-Y859 VanDerWaalsContact O-N 3.13Å
856	R	93.5	Very high	94.2	Very high	4 Å²	4	8 Å²	8	2%	0.015	5%	0.045	C	C	.	.	H	α-helix	trans	-60	-53.7	172.5	176	177.9	-171.9	96.5	-11	112.1	L851 L852 V853 H854 Y859 K860 D920 L932 L936	L851-R856 PolarHBondContact O-N 3.34Å; L852-R856 VanDerWaalsContact O-CB 3.29Å; L852-R856 WeakPolarHBondContact O-CB 3.33Å; V853-R856 PolarHBondContact O-N 2.96Å; H854-R856 VanDerWaalsContact C-N 3.3Å; H854-R856 PolarHBondContact O-N 3.42Å; R856-Y859 PolarHBondContact O-N 3.48Å; R856-K860 HydrophobicContact CG-CD 4.36Å; R856-K860 PolarHBondContact O-N 3.3Å; R856-D920 IonicContact CZ-OD1 2.65Å; R856-D920 IonicContact CZ-OD2 2.8Å; R856-D920 IonicContact NE-OD1 2.61Å; R856-D920 PolarHBondContact NE-OD1 3.4Å; R856-D920 IonicContact NE-OD2 3.23Å; R856-D920 PolarHBondContact NE-OD2 2.83Å; R856-D920 VanDerWaalsContact NE-OD2 3.1Å; R856-D920 IonicContact NH2-OD1 3.94Å; R856-D920 IonicContact NH2-OD2 3.06Å; R856-D920 PolarHBondContact NH2-OD2 3.19Å; R856-L932 PolarHBondContact NH1-O 2.88Å; R856-L936 HydrophobicContact CB-CD1 3.7Å; R856-L936 HydrophobicContact CG-CD1 3.85Å; R856-L936 HydrophobicContact CG-CD2 4.39Å
857	N	93.4	Very high	94	Very high	15 Å²	15	7.9 Å²	7.9	8%	0.08	5%	0.045	C	C	.	.	H	α-helix	trans	-62.9	-47.3	-176.2	-67.4	-20.8	0	0	0	110.6	V853 H854 Y859 K860 N861	V853-N857 VanDerWaalsContact O-CG 3.31Å; V853-N857 PolarHBondContact O-N 3.18Å; V853-N857 VanDerWaalsContact O-N 3.11Å; V853-N857 PolarHBondContact O-ND2 2.72Å; H854-N857 PolarHBondContact O-N 3.42Å; N857-Y859 PolarHBondContact O-N 3.28Å; N857-K860 PolarHBondContact O-N 2.73Å; N857-N861 WeakPolarHBondContact O-CB 3.22Å; N857-N861 PolarHBondContact O-N 2.75Å; N857-N861 PolarHBondContact O-ND2 2.87Å; N857-N861 PolarHBondContact O-OD1 2.86Å
858	C	94.4	Very high	93.9	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.02	5%	0.045	C	C	.	.	H	α-helix	trans	-56.8	-48.2	178.6	-64.3	0	0	0	0	111.7	Y374 E396 H854 T862	Y374-C858 HydrophobicContact CD1-CB 4.48Å; Y374-C858 HydrophobicContact CD2-CB 4.25Å; Y374-C858 HydrophobicContact CG-CB 4.27Å; Y374-C858 VanDerWaalsContact CG-SG 3.59Å; E396-C858 HydrophobicContact CG-CB 4.43Å; H854-C858 WeakPolarHBondContact O-CB 3.43Å; H854-C858 PolarHBondContact O-N 2.88Å; H854-C858 PolarHBondContact O-SG 2.78Å; C858-T862 VanDerWaalsContact O-CB 3.31Å; C858-T862 WeakPolarHBondContact O-CB 3.41Å; C858-T862 PolarHBondContact O-N 2.88Å; C858-T862 VanDerWaalsContact O-N 3.12Å; C858-T862 PolarHBondContact O-OG1 3.4Å
859	Y	94	Very high	93.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.2	-48.5	-179.5	173.1	-106.6	0	0	0	112.5	I312 R400 G855 R856 N857 A863 L936 G939 E941	I312-Y859 HydrophobicContact CD1-CD2 4.05Å; I312-Y859 HydrophobicContact CD1-CE2 4.09Å; R400-Y859 HydrophobicContact CG-CD2 3.91Å; R400-Y859 HydrophobicContact CG-CE2 4.24Å; R400-Y859 HydrophobicContact CG-CG 4.41Å; G855-Y859 WeakPolarHBondContact O-CB 3.43Å; G855-Y859 PolarHBondContact O-N 2.71Å; G855-Y859 VanDerWaalsContact O-N 3.13Å; R856-Y859 PolarHBondContact O-N 3.48Å; N857-Y859 PolarHBondContact O-N 3.28Å; Y859-A863 WeakPolarHBondContact O-CB 3.49Å; Y859-A863 PolarHBondContact O-N 3.14Å; Y859-L936 HydrophobicContact CD1-CB 4.45Å; Y859-L936 HydrophobicContact CD1-CD2 3.91Å; Y859-L936 HydrophobicContact CE1-CD2 4.37Å; Y859-G939 VanDerWaalsContact OH-CA 3.24Å; Y859-G939 WeakPolarHBondContact OH-CA 3.25Å; Y859-E941 HydrophobicContact CE1-CB 4.14Å; Y859-E941 HydrophobicContact CE1-CG 3.93Å
860	K	92.1	Very high	93.6	Very high	23 Å²	23	6.2 Å²	6.2	10%	0.1	4%	0.036	C	C	.	.	H	α-helix	trans	-66.9	-44.5	-176.5	-74.3	-165.8	171.7	-157.5	0	112.4	R856 N857 A863 A864 D920 L936 E941	R856-K860 HydrophobicContact CG-CD 4.36Å; R856-K860 PolarHBondContact O-N 3.3Å; N857-K860 PolarHBondContact O-N 2.73Å; K860-A863 PolarHBondContact O-N 2.68Å; K860-A864 PolarHBondContact O-N 3.21Å; K860-D920 HydrophobicContact CD-CB 4.22Å; K860-D920 WeakPolarHBondContact CD-OD2 3.06Å; K860-D920 WeakPolarHBondContact CE-OD2 3.43Å; K860-D920 IonicContact NZ-OD2 2.65Å; K860-D920 PolarHBondContact NZ-OD2 3.02Å; K860-L936 HydrophobicContact CD-CD2 4.26Å; K860-L936 VanDerWaalsContact CE-CD2 3.42Å; K860-L936 HydrophobicContact CG-CD2 3.98Å; K860-E941 IonicContact NZ-OE1 3.7Å
861	N	94	Very high	93.4	Very high	8 Å²	8	6.2 Å²	6.2	4%	0.043	4%	0.036	C	C	.	.	H	α-helix	trans	-68.5	-39.2	-177.4	-64	-1.9	0	0	0	110.6	Y374 N857 A864 L865 V916 D918	Y374-N861 HydrophobicContact CE1-CB 4.2Å; Y374-N861 WeakPolarHBondContact OH-CB 3.49Å; N857-N861 WeakPolarHBondContact O-CB 3.22Å; N857-N861 PolarHBondContact O-N 2.75Å; N857-N861 PolarHBondContact O-ND2 2.87Å; N857-N861 PolarHBondContact O-OD1 2.86Å; N861-A864 PolarHBondContact O-N 2.87Å; N861-L865 VanDerWaalsContact O-CB 3.24Å; N861-L865 WeakPolarHBondContact O-CB 3.33Å; N861-L865 PolarHBondContact O-N 3.13Å; N861-V916 PolarHBondContact ND2-O 3.19Å; N861-D918 PolarHBondContact ND2-O 3.05Å; N861-D918 PolarHBondContact OD1-O 3.11Å
862	T	94	Very high	93.3	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66.2	-38.8	174.1	-61.8	0	0	0	0	112.3	I312 M367 Y374 E396 C858 L865 A866	I312-T862 HydrophobicContact CD1-CG2 3.67Å; M367-T862 HydrophobicContact CE-CG2 4.14Å; Y374-T862 WeakPolarHBondContact CE2-OG1 3.41Å; Y374-T862 PolarHBondContact OH-N 3.42Å; Y374-T862 PolarHBondContact OH-OG1 3.49Å; Y374-T862 VanDerWaalsContact OH-OG1 3.09Å; E396-T862 HydrophobicContact CG-CG2 3.98Å; E396-T862 VanDerWaalsContact CG-OG1 3.3Å; E396-T862 WeakPolarHBondContact CG-OG1 3.45Å; E396-T862 PolarHBondContact OE1-OG1 2.85Å; C858-T862 VanDerWaalsContact O-CB 3.31Å; C858-T862 WeakPolarHBondContact O-CB 3.41Å; C858-T862 PolarHBondContact O-N 2.88Å; C858-T862 VanDerWaalsContact O-N 3.12Å; C858-T862 PolarHBondContact O-OG1 3.4Å; T862-L865 PolarHBondContact O-N 3.41Å; T862-A866 WeakPolarHBondContact O-CB 3.42Å; T862-A866 PolarHBondContact O-N 2.79Å
863	A	92.7	Very high	93.1	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.008	4%	0.039	C	C	.	.	H	α-helix	trans	-62.9	-45	175.5	0	0	0	0	0	111.6	I312 Y859 K860 A866 L867 E941 L942	I312-A863 HydrophobicContact CD1-CB 4.48Å; Y859-A863 WeakPolarHBondContact O-CB 3.49Å; Y859-A863 PolarHBondContact O-N 3.14Å; K860-A863 PolarHBondContact O-N 2.68Å; A863-A866 PolarHBondContact O-N 2.88Å; A863-L867 VanDerWaalsContact O-CG 3.28Å; A863-L867 WeakPolarHBondContact O-CG 3.5Å; A863-L867 PolarHBondContact O-N 3.2Å; A863-L867 VanDerWaalsContact O-N 3.11Å; A863-E941 HydrophobicContact CB-CB 3.95Å; A863-L942 HydrophobicContact CB-CD1 4.43Å
864	A	91.5	Very high	93.1	Very high	31 Å²	31	6.9 Å²	6.9	26%	0.256	4%	0.04	S	C	.	.	H	α-helix	trans	-61.1	-51.1	175.1	0	0	0	0	0	111.3	K860 N861 A866 L867 F868	K860-A864 PolarHBondContact O-N 3.21Å; N861-A864 PolarHBondContact O-N 2.87Å; A864-A866 VanDerWaalsContact C-N 3.32Å; A864-A866 PolarHBondContact O-N 3.31Å; A864-L867 PolarHBondContact O-N 3.15Å; A864-L867 VanDerWaalsContact O-N 3.16Å; A864-F868 VanDerWaalsContact O-CD2 3.31Å; A864-F868 WeakPolarHBondContact O-CD2 3.48Å; A864-F868 PolarHBondContact O-N 3.25Å
865	L	93.3	Very high	93.1	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-53.7	-47.3	177.7	178.7	65.6	0	0	0	111.9	N366 A370 N861 T862 L867 F868 V869 V912 V916	N366-L865 HydrophobicContact CB-CD1 4.41Å; N366-L865 HydrophobicContact CB-CD2 4.24Å; N366-L865 HydrophobicContact CB-CG 4.45Å; A370-L865 HydrophobicContact CB-CD2 3.74Å; N861-L865 VanDerWaalsContact O-CB 3.24Å; N861-L865 WeakPolarHBondContact O-CB 3.33Å; N861-L865 PolarHBondContact O-N 3.13Å; T862-L865 PolarHBondContact O-N 3.41Å; L865-L867 PolarHBondContact O-N 2.82Å; L865-F868 PolarHBondContact O-N 3.37Å; L865-V869 HydrophobicContact CD1-CG2 4.25Å; L865-V869 VanDerWaalsContact O-CG2 3.24Å; L865-V869 WeakPolarHBondContact O-CG2 3.16Å; L865-V869 PolarHBondContact O-N 3.08Å; L865-V912 HydrophobicContact CD1-CG1 3.71Å; L865-V912 VanDerWaalsContact CD1-O 3.27Å; L865-V912 WeakPolarHBondContact CD1-O 3.38Å; L865-V916 HydrophobicContact CD2-CG2 4.07Å
866	A	92.8	Very high	93	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-62.6	-43.4	179.4	0	0	0	0	0	112.2	I316 L363 T862 A863 A864 V869 I870	I316-A866 HydrophobicContact CD1-CB 3.7Å; I316-A866 HydrophobicContact CG1-CB 4.4Å; L363-A866 HydrophobicContact CD1-CB 3.96Å; T862-A866 WeakPolarHBondContact O-CB 3.42Å; T862-A866 PolarHBondContact O-N 2.79Å; A863-A866 PolarHBondContact O-N 2.88Å; A864-A866 VanDerWaalsContact C-N 3.32Å; A864-A866 PolarHBondContact O-N 3.31Å; A866-V869 PolarHBondContact O-N 3.39Å; A866-I870 WeakPolarHBondContact O-CD1 3.27Å; A866-I870 VanDerWaalsContact O-CG1 3.26Å; A866-I870 WeakPolarHBondContact O-CG1 3.08Å; A866-I870 PolarHBondContact O-N 3.37Å; A866-I870 VanDerWaalsContact O-N 3.07Å
867	L	92.1	Very high	93.1	Very high	13 Å²	13	6.2 Å²	6.2	7%	0.068	4%	0.037	C	C	.	.	H	α-helix	trans	-63.3	-43.2	177.8	-70.7	167.1	0	0	0	111.7	A863 A864 L865 I870 H871 L942 T946 W950	A863-L867 VanDerWaalsContact O-CG 3.28Å; A863-L867 WeakPolarHBondContact O-CG 3.5Å; A863-L867 PolarHBondContact O-N 3.2Å; A863-L867 VanDerWaalsContact O-N 3.11Å; A864-L867 PolarHBondContact O-N 3.15Å; A864-L867 VanDerWaalsContact O-N 3.16Å; L865-L867 PolarHBondContact O-N 2.82Å; L867-I870 PolarHBondContact O-N 3.21Å; L867-H871 WeakPolarHBondContact O-CB 3.49Å; L867-H871 PolarHBondContact O-N 3.4Å; L867-L942 HydrophobicContact CD2-CD1 4.41Å; L867-L942 HydrophobicContact CG-CD1 4.28Å; L867-T946 HydrophobicContact CD1-CG2 3.91Å; L867-W950 HydrophobicContact CD2-CG 4.34Å
868	F	92.2	Very high	93.2	Very high	1 Å²	1	6.6 Å²	6.6	0%	0.004	4%	0.04	C	C	.	.	H	α-helix	trans	-63.1	-44.5	176.4	-90.8	-78.5	0	0	0	112.8	A864 L865 I870 H871 R872 V912 L915 W950 M991 V992 T995	A864-F868 VanDerWaalsContact O-CD2 3.31Å; A864-F868 WeakPolarHBondContact O-CD2 3.48Å; A864-F868 PolarHBondContact O-N 3.25Å; L865-F868 PolarHBondContact O-N 3.37Å; F868-I870 VanDerWaalsContact C-N 3.29Å; F868-I870 PolarHBondContact O-N 3.34Å; F868-H871 WeakPolarHBondContact O-CB 3.29Å; F868-H871 PolarHBondContact O-N 3.29Å; F868-R872 VanDerWaalsContact O-CB 3.32Å; F868-R872 WeakPolarHBondContact O-CB 3.44Å; F868-R872 PolarHBondContact O-N 2.83Å; F868-V912 HydrophobicContact CB-CG1 4.24Å; F868-L915 HydrophobicContact CB-CD1 4.28Å; F868-L915 HydrophobicContact CD2-CD1 3.36Å; F868-L915 HydrophobicContact CE2-CD1 3.81Å; F868-L915 HydrophobicContact CG-CD1 3.88Å; F868-W950 HydrophobicContact CD2-CH2 4.47Å; F868-W950 HydrophobicContact CE1-CH2 4.04Å; F868-W950 HydrophobicContact CE1-CZ3 4.3Å; F868-W950 AromaticContact CE2-CH2 3.95Å; F868-W950 HydrophobicContact CE2-CH2 3.95Å; F868-W950 HydrophobicContact CE2-CZ2 4.44Å; F868-W950 AromaticContact CZ-CH2 3.7Å; F868-W950 HydrophobicContact CZ-CH2 3.7Å; F868-W950 HydrophobicContact CZ-CZ3 4.41Å; F868-M991 HydrophobicContact CE1-CB 4.23Å; F868-V992 HydrophobicContact CD1-CG2 4.09Å; F868-V992 HydrophobicContact CE1-CG2 4.01Å; F868-T995 HydrophobicContact CE2-CG2 3.59Å; F868-T995 HydrophobicContact CZ-CG2 3.82Å; F868-T995 WeakPolarHBondContact CZ-OG1 3.46Å
869	V	92.1	Very high	93.2	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.006	4%	0.039	C	C	.	.	H	α-helix	trans	-65.8	-36.4	-179.5	177.2	0	0	0	0	111.1	P360 L363 N366 L865 A866 G873 V912	P360-V869 HydrophobicContact CB-CG1 3.7Å; P360-V869 WeakPolarHBondContact CB-O 3.23Å; P360-V869 HydrophobicContact CG-CG1 3.76Å; P360-V869 WeakPolarHBondContact CG-O 3.46Å; L363-V869 HydrophobicContact CB-CG1 3.85Å; L363-V869 HydrophobicContact CD1-CB 4.07Å; L363-V869 HydrophobicContact CD1-CG1 4.17Å; N366-V869 HydrophobicContact CB-CG2 4.33Å; N366-V869 VanDerWaalsContact ND2-CG2 3.29Å; N366-V869 WeakPolarHBondContact ND2-CG2 3.21Å; L865-V869 HydrophobicContact CD1-CG2 4.25Å; L865-V869 VanDerWaalsContact O-CG2 3.24Å; L865-V869 WeakPolarHBondContact O-CG2 3.16Å; L865-V869 PolarHBondContact O-N 3.08Å; A866-V869 PolarHBondContact O-N 3.39Å; V869-G873 PolarHBondContact O-N 3.42Å; V869-V912 HydrophobicContact CG2-CG1 3.77Å
870	I	92.1	Very high	93.2	Very high	4 Å²	4	6.5 Å²	6.5	2%	0.021	4%	0.039	C	C	.	.	H	α-helix	trans	-70.3	-46.5	174.6	-64.5	165.5	0	0	0	111.7	I319 L323 P360 L363 A866 L867 F868 R872 G873 S874 Y947	I319-I870 HydrophobicContact CG2-CD1 4.31Å; L323-I870 HydrophobicContact CD1-CG2 3.88Å; P360-I870 HydrophobicContact CG-CG1 4.09Å; L363-I870 HydrophobicContact CD2-CD1 4.19Å; L363-I870 HydrophobicContact CD2-CG1 4.04Å; A866-I870 WeakPolarHBondContact O-CD1 3.27Å; A866-I870 VanDerWaalsContact O-CG1 3.26Å; A866-I870 WeakPolarHBondContact O-CG1 3.08Å; A866-I870 PolarHBondContact O-N 3.37Å; A866-I870 VanDerWaalsContact O-N 3.07Å; L867-I870 PolarHBondContact O-N 3.21Å; F868-I870 VanDerWaalsContact C-N 3.29Å; F868-I870 PolarHBondContact O-N 3.34Å; I870-R872 PolarHBondContact O-N 3.33Å; I870-G873 PolarHBondContact O-N 3.18Å; I870-S874 PolarHBondContact O-N 3Å; I870-S874 PolarHBondContact O-OG 3.2Å; I870-Y947 HydrophobicContact CG2-CE2 3.83Å
871	H	93	Very high	93.3	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.005	4%	0.041	C	C	.	.	H	α-helix	trans	-50.2	-47.3	174.9	171.1	56.4	0	0	0	111.7	L867 F868 G873 S874 I875 W950 S954 Q957 E988	L867-H871 WeakPolarHBondContact O-CB 3.49Å; L867-H871 PolarHBondContact O-N 3.4Å; F868-H871 WeakPolarHBondContact O-CB 3.29Å; F868-H871 PolarHBondContact O-N 3.29Å; H871-G873 VanDerWaalsContact C-N 3.34Å; H871-G873 PolarHBondContact O-N 3.13Å; H871-S874 WeakPolarHBondContact O-CB 3.21Å; H871-S874 PolarHBondContact O-N 3.44Å; H871-S874 VanDerWaalsContact O-N 3.13Å; H871-I875 WeakPolarHBondContact CE1-CD1 3.25Å; H871-I875 VanDerWaalsContact NE2-CD1 3.27Å; H871-I875 WeakPolarHBondContact NE2-CD1 3.46Å; H871-I875 WeakPolarHBondContact O-CG1 3.26Å; H871-I875 PolarHBondContact O-N 3.15Å; H871-W950 HydrophobicContact CB-CE3 4Å; H871-W950 HydrophobicContact CB-CZ3 4.37Å; H871-W950 AromaticContact CG-CE3 3.9Å; H871-S954 PolarHBondContact ND1-OG 3.43Å; H871-Q957 PolarHBondContact CE1-OE1 2.78Å; H871-Q957 PolarHBondContact NE2-OE1 2.8Å; H871-E988 IonicContact CD2-OE2 2.73Å
872	R	92.1	Very high	93.4	Very high	11 Å²	11	6.7 Å²	6.7	4%	0.042	4%	0.044	C	C	.	.	H	α-helix	trans	-57.2	-43	177.4	-172.6	-174.4	113.4	-148.9	-33	113.5	F868 I870 Y903 A904 T908 E988	F868-R872 VanDerWaalsContact O-CB 3.32Å; F868-R872 WeakPolarHBondContact O-CB 3.44Å; F868-R872 PolarHBondContact O-N 2.83Å; I870-R872 PolarHBondContact O-N 3.33Å; R872-Y903 VanDerWaalsContact CD-CE1 3.45Å; R872-Y903 HydrophobicContact CG-CD1 4.18Å; R872-Y903 HydrophobicContact CG-CE1 3.18Å; R872-Y903 VanDerWaalsContact CG-CZ 3.48Å; R872-Y903 WeakPolarHBondContact CG-OH 3.3Å; R872-Y903 VanDerWaalsContact NE-CE1 3.27Å; R872-Y903 PolarHBondContact NH1-O 3.22Å; R872-A904 PolarHBondContact NH1-O 2.78Å; R872-T908 WeakPolarHBondContact CD-OG1 3.46Å; R872-T908 PolarHBondContact NH1-OG1 3.09Å; R872-E988 WeakPolarHBondContact CA-OE1 3.36Å
873	G	91.9	Very high	93.4	Very high	5 Å²	5	7.9 Å²	7.9	5%	0.052	5%	0.049	C	C	.	.	H	α-helix	trans	-70.2	-37.4	176	0	0	0	0	0	113.3	Y357 V869 I870 H871 T877	Y357-G873 CarbonylContact C-O 3.56Å; Y357-G873 CarbonylContact O-C 3.46Å; Y357-G873 WeakPolarHBondContact O-CA 3.31Å; V869-G873 PolarHBondContact O-N 3.42Å; I870-G873 PolarHBondContact O-N 3.18Å; H871-G873 VanDerWaalsContact C-N 3.34Å; H871-G873 PolarHBondContact O-N 3.13Å; G873-T877 PolarHBondContact O-N 3.29Å; G873-T877 VanDerWaalsContact O-N 3.16Å; G873-T877 PolarHBondContact O-OG1 2.77Å
874	S	93.9	Very high	93.4	Very high	3 Å²	3	7.8 Å²	7.8	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	-67	-42.3	177.9	-73.5	0	0	0	0	112.7	I870 H871 I876 T877 V878 Q951	I870-S874 PolarHBondContact O-N 3Å; I870-S874 PolarHBondContact O-OG 3.2Å; H871-S874 WeakPolarHBondContact O-CB 3.21Å; H871-S874 PolarHBondContact O-N 3.44Å; H871-S874 VanDerWaalsContact O-N 3.13Å; S874-I876 PolarHBondContact O-N 2.86Å; S874-T877 PolarHBondContact O-N 2.92Å; S874-V878 VanDerWaalsContact O-CG2 3.29Å; S874-V878 WeakPolarHBondContact O-CG2 3.14Å; S874-V878 PolarHBondContact O-N 3.18Å; S874-Q951 PolarHBondContact OG-NE2 2.91Å; S874-Q951 VanDerWaalsContact OG-NE2 3.08Å; S874-Q951 PolarHBondContact OG-OE1 3.12Å
875	I	94.8	Very high	93.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-58.7	-48	177.2	-68.9	165.3	0	0	0	110.8	H871 T877 V878 M879 Q957 I961 L984 E988	H871-I875 WeakPolarHBondContact CE1-CD1 3.25Å; H871-I875 VanDerWaalsContact NE2-CD1 3.27Å; H871-I875 WeakPolarHBondContact NE2-CD1 3.46Å; H871-I875 WeakPolarHBondContact O-CG1 3.26Å; H871-I875 PolarHBondContact O-N 3.15Å; I875-T877 VanDerWaalsContact C-N 3.29Å; I875-T877 PolarHBondContact O-N 3.2Å; I875-V878 PolarHBondContact O-N 3.26Å; I875-M879 HydrophobicContact CG2-CG 4.28Å; I875-M879 HydrophobicContact CG2-SD 3.71Å; I875-M879 WeakPolarHBondContact O-CG 3.31Å; I875-M879 PolarHBondContact O-N 2.7Å; I875-Q957 HydrophobicContact CD1-CB 4.42Å; I875-Q957 HydrophobicContact CG1-CB 4.47Å; I875-I961 HydrophobicContact CG2-CD1 4.31Å; I875-L984 HydrophobicContact CB-CD1 4.19Å; I875-L984 HydrophobicContact CG2-CD1 3.36Å; I875-E988 WeakPolarHBondContact CD1-OE1 3.25Å
876	I	93.9	Very high	93.3	Very high	6 Å²	6	11.3 Å²	11.3	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-57.6	-45	177.5	-76	175.7	0	0	0	111.1	Y357 S874 V878 M879 Q880 Y900 Y903 L984	Y357-I876 HydrophobicContact CD2-CG2 4.31Å; Y357-I876 HydrophobicContact CG-CG2 4.26Å; S874-I876 PolarHBondContact O-N 2.86Å; I876-V878 VanDerWaalsContact C-N 3.3Å; I876-V878 PolarHBondContact O-N 3.09Å; I876-M879 PolarHBondContact O-N 2.9Å; I876-Q880 VanDerWaalsContact O-CB 3.28Å; I876-Q880 WeakPolarHBondContact O-CB 3.42Å; I876-Q880 PolarHBondContact O-N 3.01Å; I876-Y900 HydrophobicContact CD1-CD1 4.2Å; I876-Y900 HydrophobicContact CD1-CE1 4.42Å; I876-Y900 HydrophobicContact CG2-CD1 4.2Å; I876-Y900 HydrophobicContact CG2-CE1 3.56Å; I876-Y903 HydrophobicContact CD1-CD1 3.43Å; I876-Y903 VanDerWaalsContact CD1-CD1 3.43Å; I876-Y903 HydrophobicContact CD1-CE1 3.31Å; I876-Y903 HydrophobicContact CD1-CG 4.47Å; I876-Y903 HydrophobicContact CG1-CE1 4.11Å; I876-L984 HydrophobicContact CD1-CD2 4.32Å; I876-L984 HydrophobicContact CG1-CD2 3.84Å
877	T	94.3	Very high	93.2	Very high	4 Å²	4	15.2 Å²	15.2	3%	0.025	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-40.1	179.9	-61.9	0	0	0	0	111.7	L330 F355 I358 G873 S874 I875 Q880 A881	L330-T877 HydrophobicContact CD2-CG2 3.92Å; F355-T877 HydrophobicContact CB-CG2 3.9Å; F355-T877 HydrophobicContact CD1-CG2 3.82Å; F355-T877 HydrophobicContact CG-CG2 4.07Å; F355-T877 PolarHBondContact O-OG1 2.87Å; I358-T877 WeakPolarHBondContact CA-OG1 3.24Å; I358-T877 HydrophobicContact CB-CG2 4.1Å; I358-T877 WeakPolarHBondContact CB-OG1 3.33Å; I358-T877 HydrophobicContact CD1-CG2 4.47Å; I358-T877 HydrophobicContact CG1-CG2 4.36Å; I358-T877 PolarHBondContact N-OG1 3Å; G873-T877 PolarHBondContact O-N 3.29Å; G873-T877 VanDerWaalsContact O-N 3.16Å; G873-T877 PolarHBondContact O-OG1 2.77Å; S874-T877 PolarHBondContact O-N 2.92Å; I875-T877 VanDerWaalsContact C-N 3.29Å; I875-T877 PolarHBondContact O-N 3.2Å; T877-Q880 PolarHBondContact O-N 3.23Å; T877-A881 WeakPolarHBondContact O-CB 3.41Å; T877-A881 PolarHBondContact O-N 2.8Å
878	V	95.4	Very high	93.1	Very high	23 Å²	23	24.2 Å²	24.2	14%	0.139	12%	0.123	C	C	.	.	H	α-helix	trans	-66.9	-46.7	177.6	172	0	0	0	0	110.9	S874 I875 I876 Q880 A881 I882 V955	S874-V878 VanDerWaalsContact O-CG2 3.29Å; S874-V878 WeakPolarHBondContact O-CG2 3.14Å; S874-V878 PolarHBondContact O-N 3.18Å; I875-V878 PolarHBondContact O-N 3.26Å; I876-V878 VanDerWaalsContact C-N 3.3Å; I876-V878 PolarHBondContact O-N 3.09Å; V878-Q880 VanDerWaalsContact C-N 3.29Å; V878-Q880 PolarHBondContact O-N 2.87Å; V878-A881 PolarHBondContact O-N 3.13Å; V878-A881 VanDerWaalsContact O-N 3.17Å; V878-I882 HydrophobicContact CG1-CD1 3.92Å; V878-I882 WeakPolarHBondContact O-CG1 3.41Å; V878-I882 PolarHBondContact O-N 2.93Å; V878-V955 HydrophobicContact CG2-CB 4.37Å; V878-V955 HydrophobicContact CG2-CG2 3.85Å
879	M	95.3	Very high	93	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.4	-44.1	175.5	-66.9	169.5	64.2	0	0	111.1	I875 I876 I882 F883 L894 F895 G958 I961 T980 L984	I875-M879 HydrophobicContact CG2-CG 4.28Å; I875-M879 HydrophobicContact CG2-SD 3.71Å; I875-M879 WeakPolarHBondContact O-CG 3.31Å; I875-M879 PolarHBondContact O-N 2.7Å; I876-M879 PolarHBondContact O-N 2.9Å; M879-I882 PolarHBondContact O-N 3.03Å; M879-F883 VanDerWaalsContact O-CB 3.29Å; M879-F883 WeakPolarHBondContact O-CB 3.22Å; M879-F883 PolarHBondContact O-N 3.23Å; M879-L894 HydrophobicContact CB-CD2 3.89Å; M879-L894 HydrophobicContact CE-CD2 4.05Å; M879-F895 HydrophobicContact CE-CE2 4.07Å; M879-F895 HydrophobicContact CE-CZ 3.65Å; M879-G958 WeakPolarHBondContact CG-O 3.03Å; M879-I961 HydrophobicContact CE-CG2 3.63Å; M879-I961 HydrophobicContact SD-CB 4.45Å; M879-I961 HydrophobicContact SD-CD1 4.48Å; M879-I961 HydrophobicContact SD-CG2 4.1Å; M879-T980 HydrophobicContact CE-CG2 4.45Å; M879-L984 HydrophobicContact SD-CB 4.47Å; M879-L984 HydrophobicContact SD-CD1 4.01Å; M879-L984 HydrophobicContact SD-CD2 4.22Å; M879-L984 HydrophobicContact SD-CG 4.48Å
880	Q	94.7	Very high	92.9	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-41.1	176.2	-178.7	61.6	58.6	0	0	112.1	L354 F355 I876 T877 V878 S884 I892 Y900	L354-Q880 HydrophobicContact CB-CG 4.31Å; L354-Q880 HydrophobicContact CD2-CG 4.42Å; F355-Q880 HydrophobicContact CD1-CG 4.18Å; F355-Q880 HydrophobicContact CE1-CB 4.34Å; F355-Q880 HydrophobicContact CE1-CG 3.95Å; I876-Q880 VanDerWaalsContact O-CB 3.28Å; I876-Q880 WeakPolarHBondContact O-CB 3.42Å; I876-Q880 PolarHBondContact O-N 3.01Å; T877-Q880 PolarHBondContact O-N 3.23Å; V878-Q880 VanDerWaalsContact C-N 3.29Å; V878-Q880 PolarHBondContact O-N 2.87Å; Q880-S884 PolarHBondContact NE2-OG 2.62Å; Q880-S884 WeakPolarHBondContact O-CB 3.45Å; Q880-S884 PolarHBondContact O-N 2.8Å; Q880-S884 PolarHBondContact O-OG 2.98Å; Q880-I892 PolarHBondContact NE2-O 2.96Å; Q880-Y900 PolarHBondContact OE1-OH 3.2Å
881	A	94.5	Very high	92.7	Very high	17 Å²	17	30 Å²	30	14%	0.14	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-44.4	179.4	0	0	0	0	0	111.6	F355 T877 V878 S884 A885	F355-A881 HydrophobicContact CE1-CB 3.74Å; F355-A881 HydrophobicContact CZ-CB 3.89Å; T877-A881 WeakPolarHBondContact O-CB 3.41Å; T877-A881 PolarHBondContact O-N 2.8Å; V878-A881 PolarHBondContact O-N 3.13Å; V878-A881 VanDerWaalsContact O-N 3.17Å; A881-S884 PolarHBondContact O-N 2.94Å; A881-A885 WeakPolarHBondContact O-CB 3.49Å; A881-A885 PolarHBondContact O-N 3.1Å
882	I	94.4	Very high	92.6	Very high	19 Å²	19	34.4 Å²	34.4	10%	0.097	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-46	177	-64.2	167.3	0	0	0	110.4	V878 M879 S884 A885 V886 M962 Y963	V878-I882 HydrophobicContact CG1-CD1 3.92Å; V878-I882 WeakPolarHBondContact O-CG1 3.41Å; V878-I882 PolarHBondContact O-N 2.93Å; M879-I882 PolarHBondContact O-N 3.03Å; I882-S884 PolarHBondContact O-N 2.95Å; I882-A885 PolarHBondContact O-N 3.3Å; I882-A885 VanDerWaalsContact O-N 3.15Å; I882-V886 HydrophobicContact CG2-CG2 4.25Å; I882-V886 VanDerWaalsContact O-CG2 3.3Å; I882-V886 WeakPolarHBondContact O-CG2 3.5Å; I882-V886 PolarHBondContact O-N 2.7Å; I882-M962 HydrophobicContact CB-CB 4.3Å; I882-M962 HydrophobicContact CB-CG 3.86Å; I882-M962 HydrophobicContact CD1-CB 4.27Å; I882-M962 HydrophobicContact CG2-CB 4.07Å; I882-M962 HydrophobicContact CG2-CG 3.48Å; I882-M962 VanDerWaalsContact CG2-CG 3.48Å; I882-Y963 HydrophobicContact CD1-CD2 4.3Å; I882-Y963 HydrophobicContact CD1-CE2 3.9Å; I882-Y963 HydrophobicContact CG1-CE2 4.41Å; I882-Y963 HydrophobicContact CG2-CE1 4.17Å; I882-Y963 HydrophobicContact CG2-CE2 4.11Å
883	F	94.3	Very high	92.6	Very high	24 Å²	24	35.9 Å²	35.9	11%	0.105	19%	0.189	C	C	.	.	H	α-helix	trans	-55.4	-52.1	174.7	176.4	-100.9	0	0	0	111.2	M879 A885 V886 F887 L894 M962	M879-F883 VanDerWaalsContact O-CB 3.29Å; M879-F883 WeakPolarHBondContact O-CB 3.22Å; M879-F883 PolarHBondContact O-N 3.23Å; F883-A885 VanDerWaalsContact C-N 3.29Å; F883-A885 PolarHBondContact O-N 3.31Å; F883-V886 PolarHBondContact O-N 3.05Å; F883-F887 HydrophobicContact CD1-CD2 4.45Å; F883-F887 AromaticContact CD2-CD2 3.52Å; F883-F887 HydrophobicContact CD2-CD2 3.52Å; F883-F887 AromaticContact CD2-CE2 3.47Å; F883-F887 HydrophobicContact CD2-CE2 3.47Å; F883-F887 VanDerWaalsContact CD2-CE2 3.47Å; F883-F887 HydrophobicContact CE1-CD2 4.29Å; F883-F887 AromaticContact CE2-CD2 3.33Å; F883-F887 HydrophobicContact CE2-CD2 3.33Å; F883-F887 AromaticContact CE2-CE2 3.2Å; F883-F887 HydrophobicContact CE2-CE2 3.2Å; F883-F887 HydrophobicContact CE2-CG 4.38Å; F883-F887 HydrophobicContact CE2-CZ 4.15Å; F883-F887 HydrophobicContact CG-CD2 4.09Å; F883-F887 HydrophobicContact CG-CE2 4.46Å; F883-F887 AromaticContact CZ-CD2 3.75Å; F883-F887 HydrophobicContact CZ-CD2 3.75Å; F883-F887 HydrophobicContact CZ-CE2 4.01Å; F883-F887 HydrophobicContact CZ-CG 4.45Å; F883-F887 VanDerWaalsContact O-CD2 3.29Å; F883-F887 WeakPolarHBondContact O-CD2 3.44Å; F883-F887 PolarHBondContact O-N 3.41Å; F883-L894 HydrophobicContact CB-CD1 4.19Å; F883-L894 HydrophobicContact CD1-CB 4.21Å; F883-L894 HydrophobicContact CD1-CD1 4.34Å; F883-L894 HydrophobicContact CD2-CD1 3.57Å; F883-L894 HydrophobicContact CE2-CD1 3.97Å; F883-L894 HydrophobicContact CG-CB 4.33Å; F883-L894 HydrophobicContact CG-CD1 3.78Å; F883-M962 HydrophobicContact CB-CE 4.07Å; F883-M962 HydrophobicContact CB-SD 4.33Å; F883-M962 HydrophobicContact CD2-CE 3.88Å; F883-M962 HydrophobicContact CG-CE 4.49Å
884	S	92.9	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-38.7	176.9	-74.9	0	0	0	0	112.4	Q880 A881 I882 F889 V890	Q880-S884 PolarHBondContact NE2-OG 2.62Å; Q880-S884 WeakPolarHBondContact O-CB 3.45Å; Q880-S884 PolarHBondContact O-N 2.8Å; Q880-S884 PolarHBondContact O-OG 2.98Å; A881-S884 PolarHBondContact O-N 2.94Å; I882-S884 PolarHBondContact O-N 2.95Å; S884-F889 WeakPolarHBondContact O-CA 3.47Å; S884-F889 PolarHBondContact O-N 3.03Å; S884-V890 PolarHBondContact OG-O 3.18Å
885	A	92.8	Very high	92.5	Very high	43 Å²	43	35.9 Å²	35.9	36%	0.355	19%	0.188	S	C	.	.	H	α-helix	trans	-66.6	-41.4	177.9	0	0	0	0	0	112.8	M334 A881 I882 F883 F889	M334-A885 HydrophobicContact CE-CB 4.34Å; A881-A885 WeakPolarHBondContact O-CB 3.49Å; A881-A885 PolarHBondContact O-N 3.1Å; I882-A885 PolarHBondContact O-N 3.3Å; I882-A885 VanDerWaalsContact O-N 3.15Å; F883-A885 VanDerWaalsContact C-N 3.29Å; F883-A885 PolarHBondContact O-N 3.31Å; A885-F889 HydrophobicContact CB-CE1 4.09Å
886	V	90.9	Very high	92.3	Very high	62 Å²	62	37.6 Å²	37.6	38%	0.376	20%	0.199	S	C	.	.	H	α-helix	trans	-66.5	-38.2	179.1	171.2	0	0	0	0	111.3	I882 F883 Y888 L966	I882-V886 HydrophobicContact CG2-CG2 4.25Å; I882-V886 VanDerWaalsContact O-CG2 3.3Å; I882-V886 WeakPolarHBondContact O-CG2 3.5Å; I882-V886 PolarHBondContact O-N 2.7Å; F883-V886 PolarHBondContact O-N 3.05Å; V886-Y888 VanDerWaalsContact C-N 3.28Å; V886-Y888 PolarHBondContact O-N 2.78Å; V886-L966 HydrophobicContact CG1-CD1 4.47Å; V886-L966 HydrophobicContact CG1-CD2 4.38Å; V886-L966 HydrophobicContact CG2-CD1 4Å
887	F	90.4	Very high	92	Very high	81 Å²	81	38.2 Å²	38.2	36%	0.355	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	45.1	177.4	-70	-79	0	0	0	112.9	F883 F889 V890 F973	F883-F887 HydrophobicContact CD1-CD2 4.45Å; F883-F887 AromaticContact CD2-CD2 3.52Å; F883-F887 HydrophobicContact CD2-CD2 3.52Å; F883-F887 AromaticContact CD2-CE2 3.47Å; F883-F887 HydrophobicContact CD2-CE2 3.47Å; F883-F887 VanDerWaalsContact CD2-CE2 3.47Å; F883-F887 HydrophobicContact CE1-CD2 4.29Å; F883-F887 AromaticContact CE2-CD2 3.33Å; F883-F887 HydrophobicContact CE2-CD2 3.33Å; F883-F887 AromaticContact CE2-CE2 3.2Å; F883-F887 HydrophobicContact CE2-CE2 3.2Å; F883-F887 HydrophobicContact CE2-CG 4.38Å; F883-F887 HydrophobicContact CE2-CZ 4.15Å; F883-F887 HydrophobicContact CG-CD2 4.09Å; F883-F887 HydrophobicContact CG-CE2 4.46Å; F883-F887 AromaticContact CZ-CD2 3.75Å; F883-F887 HydrophobicContact CZ-CD2 3.75Å; F883-F887 HydrophobicContact CZ-CE2 4.01Å; F883-F887 HydrophobicContact CZ-CG 4.45Å; F883-F887 VanDerWaalsContact O-CD2 3.29Å; F883-F887 WeakPolarHBondContact O-CD2 3.44Å; F883-F887 PolarHBondContact O-N 3.41Å; F887-F889 PolarHBondContact O-N 2.82Å; F887-V890 WeakPolarHBondContact O-CB 3.37Å; F887-V890 WeakPolarHBondContact O-CG2 3.29Å; F887-V890 PolarHBondContact O-N 3.24Å; F887-F973 HydrophobicContact CE1-CE1 4.44Å; F887-F973 AromaticContact CE2-CE1 3.78Å; F887-F973 HydrophobicContact CE2-CE1 3.78Å; F887-F973 AromaticContact CE2-CZ 3.75Å; F887-F973 HydrophobicContact CE2-CZ 3.75Å; F887-F973 HydrophobicContact CZ-CD1 4.23Å; F887-F973 AromaticContact CZ-CE1 3.32Å; F887-F973 HydrophobicContact CZ-CE1 3.32Å; F887-F973 AromaticContact CZ-CZ 3.73Å; F887-F973 HydrophobicContact CZ-CZ 3.73Å
888	Y	89.9	Confident	91.7	Very high	203 Å²	203	40.1 Å²	40.1	80%	0.796	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	41.1	174.8	-57.7	-80.4	0	0	0	115.3	V886 V890	V886-Y888 VanDerWaalsContact C-N 3.28Å; V886-Y888 PolarHBondContact O-N 2.78Å; Y888-V890 PolarHBondContact O-N 3.19Å
889	F	90.4	Very high	91.4	Very high	46 Å²	46	39 Å²	39	20%	0.202	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	35.8	179.4	-50.4	-79.8	0	0	0	113.3	M334 L337 K338 F351 S884 A885 F887	M334-F889 HydrophobicContact CE-CD1 3.68Å; M334-F889 HydrophobicContact CE-CE1 4.21Å; M334-F889 HydrophobicContact SD-CD1 4.19Å; M334-F889 HydrophobicContact SD-CE1 4.34Å; L337-F889 HydrophobicContact CB-CD1 4.12Å; L337-F889 HydrophobicContact CB-CE1 3.59Å; L337-F889 HydrophobicContact CB-CE2 4.2Å; L337-F889 HydrophobicContact CB-CZ 3.63Å; L337-F889 HydrophobicContact CD1-CE1 3.74Å; L337-F889 HydrophobicContact CD1-CZ 4.11Å; L337-F889 HydrophobicContact CG-CE1 4.32Å; L337-F889 HydrophobicContact CG-CZ 4.44Å; K338-F889 HydrophobicContact CB-CB 3.75Å; K338-F889 HydrophobicContact CB-CD2 4.48Å; K338-F889 HydrophobicContact CB-CG 4.2Å; K338-F889 HydrophobicContact CD-CB 4.25Å; K338-F889 HydrophobicContact CG-CB 4.06Å; F351-F889 WeakPolarHBondContact CZ-O 3.08Å; S884-F889 WeakPolarHBondContact O-CA 3.47Å; S884-F889 PolarHBondContact O-N 3.03Å; A885-F889 HydrophobicContact CB-CE1 4.09Å; F887-F889 PolarHBondContact O-N 2.82Å
890	V	89.6	Confident	91.1	Very high	65 Å²	65	39.5 Å²	39.5	39%	0.394	21%	0.207	S	C	.	.			trans	-80.2	133.2	173.9	173.9	0	0	0	0	110.4	S884 F887 Y888 I892	S884-V890 PolarHBondContact OG-O 3.18Å; F887-V890 WeakPolarHBondContact O-CB 3.37Å; F887-V890 WeakPolarHBondContact O-CG2 3.29Å; F887-V890 PolarHBondContact O-N 3.24Å; Y888-V890 PolarHBondContact O-N 3.19Å; V890-I892 VanDerWaalsContact C-N 3.3Å; V890-I892 HydrophobicContact CG1-CB 4.21Å; V890-I892 HydrophobicContact CG1-CD1 3.38Å; V890-I892 HydrophobicContact CG1-CG1 3.54Å; V890-I892 PolarHBondContact O-N 3.38Å; V890-I892 VanDerWaalsContact O-N 3.13Å
891	A	88.6	Confident	90.8	Very high	15 Å²	15	41 Å²	41	12%	0.124	22%	0.216	C	C	.	.			trans	-87.8	61.1	-179.1	0	0	0	0	0	111.7	R350 F351 L354	R350-A891 HydrophobicContact CB-CB 4.05Å; F351-A891 HydrophobicContact CD1-CB 4.43Å; F351-A891 HydrophobicContact CE1-CB 4.08Å; F351-A891 HydrophobicContact CZ-CB 4.16Å; L354-A891 HydrophobicContact CD1-CB 3.77Å
892	I	90.9	Very high	90.5	Very high	95 Å²	95	40.7 Å²	40.7	49%	0.487	22%	0.215	S	C	.	.			trans	-107.6	135.7	174.3	-71.1	165.7	0	0	0	109	Q880 V890	Q880-I892 PolarHBondContact NE2-O 2.96Å; V890-I892 VanDerWaalsContact C-N 3.3Å; V890-I892 HydrophobicContact CG1-CB 4.21Å; V890-I892 HydrophobicContact CG1-CD1 3.38Å; V890-I892 HydrophobicContact CG1-CG1 3.54Å; V890-I892 PolarHBondContact O-N 3.38Å; V890-I892 VanDerWaalsContact O-N 3.13Å
893	P	91.7	Very high	90.3	Very high	41 Å²	41	39.9 Å²	39.9	27%	0.266	21%	0.21	S	C	.	.			trans	-66.3	133.7	175.5	27.9	-34.2	0	0	0	111.2	V104 L354 Y900	V104-P893 HydrophobicContact CG1-CG 4.3Å; L354-P893 HydrophobicContact CD2-CB 3.98Å; P893-Y900 HydrophobicContact CB-CE2 4.25Å
894	L	91.6	Very high	89.9	Confident	7 Å²	7	39.8 Å²	39.8	4%	0.037	21%	0.214	C	C	.	.	S	Bend	trans	-63.1	-43.6	177.8	172.7	64.2	0	0	0	111.3	M879 F883 Y900 V976	M879-L894 HydrophobicContact CB-CD2 3.89Å; M879-L894 HydrophobicContact CE-CD2 4.05Å; F883-L894 HydrophobicContact CB-CD1 4.19Å; F883-L894 HydrophobicContact CD1-CB 4.21Å; F883-L894 HydrophobicContact CD1-CD1 4.34Å; F883-L894 HydrophobicContact CD2-CD1 3.57Å; F883-L894 HydrophobicContact CE2-CD1 3.97Å; F883-L894 HydrophobicContact CG-CB 4.33Å; F883-L894 HydrophobicContact CG-CD1 3.78Å; L894-Y900 PolarHBondContact N-OH 3.3Å; L894-V976 HydrophobicContact CD1-CG2 4.49Å
895	F	91.4	Very high	89.5	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.009	23%	0.232	C	C	.	.	S	Bend	trans	-109.1	146.6	179.6	-56.3	-52.8	0	0	0	112.1	M879 L899 Y900 V977 T980 F981 L984	M879-F895 HydrophobicContact CE-CE2 4.07Å; M879-F895 HydrophobicContact CE-CZ 3.65Å; F895-L899 HydrophobicContact CB-CB 4.3Å; F895-Y900 HydrophobicContact CB-CD1 4.43Å; F895-Y900 HydrophobicContact CB-CD2 4.21Å; F895-Y900 HydrophobicContact CB-CE1 4Å; F895-Y900 HydrophobicContact CB-CE2 3.76Å; F895-Y900 HydrophobicContact CD2-CD1 4.22Å; F895-Y900 AromaticContact CD2-CE1 3.52Å; F895-Y900 HydrophobicContact CD2-CE1 3.52Å; F895-Y900 AromaticContact CD2-CZ 3.83Å; F895-Y900 HydrophobicContact CG-CE1 4.22Å; F895-Y900 PolarHBondContact N-OH 2.96Å; F895-Y900 VanDerWaalsContact N-OH 3.13Å; F895-Y900 WeakPolarHBondContact O-CE2 3.18Å; F895-V977 HydrophobicContact CD1-CG1 4.1Å; F895-T980 WeakPolarHBondContact CE1-OG1 3.32Å; F895-T980 WeakPolarHBondContact CZ-OG1 3.38Å; F895-F981 HydrophobicContact CD1-CB 4.31Å; F895-F981 HydrophobicContact CD1-CD2 4.15Å; F895-F981 HydrophobicContact CD2-CD2 4.05Å; F895-F981 HydrophobicContact CE1-CB 3.75Å; F895-F981 HydrophobicContact CE1-CD2 4.09Å; F895-F981 HydrophobicContact CE1-CG 4.43Å; F895-F981 HydrophobicContact CE2-CD2 4.03Å; F895-F981 HydrophobicContact CG-CD2 4.13Å; F895-F981 HydrophobicContact CZ-CB 4.06Å; F895-F981 HydrophobicContact CZ-CD2 4.04Å; F895-L984 HydrophobicContact CE2-CD2 4.12Å
896	P	90.2	Very high	89.2	Confident	36 Å²	36	43.6 Å²	43.6	23%	0.234	23%	0.233	C	C	.	.			trans	-54.1	144.5	165.2	-27.2	34.8	0	0	0	112.2	F898 L899 Y1024	P896-F898 HydrophobicContact CB-CD1 3.61Å; P896-F898 HydrophobicContact CB-CE1 3.33Å; P896-F898 HydrophobicContact CB-CZ 4.27Å; P896-F898 HydrophobicContact CG-CE1 4.02Å; P896-F898 PolarHBondContact O-N 3.05Å; P896-F898 VanDerWaalsContact O-N 3.09Å; P896-L899 PolarHBondContact O-N 3Å; P896-Y1024 HydrophobicContact CB-CE1 4.35Å; P896-Y1024 HydrophobicContact CG-CD1 4.05Å; P896-Y1024 HydrophobicContact CG-CE1 4.24Å
897	S	87.6	Confident	89.2	Confident	19 Å²	19	41.3 Å²	41.3	13%	0.133	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-31.4	-170.4	-32.3	0	0	0	0	113.8	L899 Y900 V901	S897-L899 PolarHBondContact O-N 2.93Å; S897-Y900 PolarHBondContact O-N 2.67Å; S897-V901 PolarHBondContact O-N 3.28Å
898	F	87.9	Confident	89.2	Confident	44 Å²	44	37.5 Å²	37.5	19%	0.193	20%	0.201	C	C	.	.	H	α-helix	trans	-68	-31.6	176.9	77.2	-90	0	0	0	113	P896 V901 G902 M1021 Y1024	P896-F898 HydrophobicContact CB-CD1 3.61Å; P896-F898 HydrophobicContact CB-CE1 3.33Å; P896-F898 HydrophobicContact CB-CZ 4.27Å; P896-F898 HydrophobicContact CG-CE1 4.02Å; P896-F898 PolarHBondContact O-N 3.05Å; P896-F898 VanDerWaalsContact O-N 3.09Å; F898-V901 PolarHBondContact O-N 3.31Å; F898-G902 PolarHBondContact O-N 2.73Å; F898-M1021 HydrophobicContact CD2-CE 4.46Å; F898-M1021 HydrophobicContact CD2-SD 3.97Å; F898-M1021 HydrophobicContact CE2-CE 3.66Å; F898-M1021 HydrophobicContact CE2-SD 3.31Å; F898-M1021 WeakPolarHBondContact CE2-SD 3.22Å; F898-M1021 HydrophobicContact CZ-SD 3.98Å; F898-Y1024 HydrophobicContact CD1-CE2 4.2Å; F898-Y1024 AromaticContact CE1-CD1 3.79Å; F898-Y1024 HydrophobicContact CE1-CD1 3.79Å; F898-Y1024 AromaticContact CE1-CD2 3.56Å; F898-Y1024 HydrophobicContact CE1-CD2 3.56Å; F898-Y1024 AromaticContact CE1-CE1 3.65Å; F898-Y1024 HydrophobicContact CE1-CE1 3.65Å; F898-Y1024 AromaticContact CE1-CE2 3.39Å; F898-Y1024 HydrophobicContact CE1-CE2 3.39Å; F898-Y1024 AromaticContact CE1-CG 3.75Å; F898-Y1024 HydrophobicContact CE1-CG 3.75Å; F898-Y1024 AromaticContact CE1-CZ 3.44Å; F898-Y1024 VanDerWaalsContact CE1-CZ 3.44Å; F898-Y1024 HydrophobicContact CE2-CD2 4.48Å; F898-Y1024 HydrophobicContact CZ-CD1 4.12Å; F898-Y1024 AromaticContact CZ-CD2 3.42Å; F898-Y1024 HydrophobicContact CZ-CD2 3.42Å; F898-Y1024 VanDerWaalsContact CZ-CD2 3.42Å; F898-Y1024 HydrophobicContact CZ-CE1 4.39Å; F898-Y1024 AromaticContact CZ-CE2 3.73Å; F898-Y1024 HydrophobicContact CZ-CE2 3.73Å; F898-Y1024 AromaticContact CZ-CG 3.64Å; F898-Y1024 HydrophobicContact CZ-CG 3.64Å
899	L	90.1	Very high	89.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.2	-37.3	176.9	-74.6	-176	0	0	0	111.2	F895 P896 S897 G902 Y903 F907 V977 F981 M1021 F1025	F895-L899 HydrophobicContact CB-CB 4.3Å; P896-L899 PolarHBondContact O-N 3Å; S897-L899 PolarHBondContact O-N 2.93Å; L899-G902 PolarHBondContact O-N 2.84Å; L899-Y903 WeakPolarHBondContact O-CB 3.39Å; L899-Y903 PolarHBondContact O-N 3.33Å; L899-F907 HydrophobicContact CD2-CE2 4.2Å; L899-V977 HydrophobicContact CD1-CG1 3.8Å; L899-F981 HydrophobicContact CB-CD2 4.27Å; L899-F981 HydrophobicContact CB-CE2 3.74Å; L899-F981 HydrophobicContact CB-CZ 3.95Å; L899-F981 HydrophobicContact CD1-CD2 4.23Å; L899-F981 HydrophobicContact CD1-CE2 4.44Å; L899-F981 HydrophobicContact CD1-CG 4.25Å; L899-F981 HydrophobicContact CD2-CD1 4.44Å; L899-F981 HydrophobicContact CD2-CE1 3.97Å; L899-F981 HydrophobicContact CD2-CE2 4.49Å; L899-F981 HydrophobicContact CD2-CZ 3.97Å; L899-F981 HydrophobicContact CG-CE2 4.44Å; L899-F981 HydrophobicContact CG-CZ 4.4Å; L899-M1021 HydrophobicContact CD2-CE 4.35Å; L899-F1025 HydrophobicContact CD1-CZ 3.81Å; L899-F1025 HydrophobicContact CD2-CE2 4.25Å; L899-F1025 HydrophobicContact CD2-CZ 3.9Å; L899-F1025 HydrophobicContact CG-CZ 4.47Å
900	Y	88.5	Confident	89.2	Confident	10 Å²	10	31.9 Å²	31.9	4%	0.039	18%	0.182	C	C	.	.	H	α-helix	trans	-60.7	-46.4	173.1	-72.1	-60	0	0	0	111.7	Y357 I876 Q880 P893 L894 F895 S897 A904	Y357-Y900 HydrophobicContact CE1-CD1 4.25Å; Y357-Y900 HydrophobicContact CE1-CG 4.13Å; Y357-Y900 HydrophobicContact CE2-CD1 4.26Å; Y357-Y900 HydrophobicContact CE2-CD2 4.29Å; Y357-Y900 HydrophobicContact CE2-CE1 4.28Å; Y357-Y900 HydrophobicContact CE2-CE2 4.3Å; Y357-Y900 HydrophobicContact CE2-CG 4.27Å; Y357-Y900 AromaticContact CZ-CD2 3.96Å; Y357-Y900 AromaticContact CZ-CG 3.76Å; Y357-Y900 WeakPolarHBondContact OH-CD2 3.49Å; I876-Y900 HydrophobicContact CD1-CD1 4.2Å; I876-Y900 HydrophobicContact CD1-CE1 4.42Å; I876-Y900 HydrophobicContact CG2-CD1 4.2Å; I876-Y900 HydrophobicContact CG2-CE1 3.56Å; Q880-Y900 PolarHBondContact OE1-OH 3.2Å; P893-Y900 HydrophobicContact CB-CE2 4.25Å; L894-Y900 PolarHBondContact N-OH 3.3Å; F895-Y900 HydrophobicContact CB-CD1 4.43Å; F895-Y900 HydrophobicContact CB-CD2 4.21Å; F895-Y900 HydrophobicContact CB-CE1 4Å; F895-Y900 HydrophobicContact CB-CE2 3.76Å; F895-Y900 HydrophobicContact CD2-CD1 4.22Å; F895-Y900 AromaticContact CD2-CE1 3.52Å; F895-Y900 HydrophobicContact CD2-CE1 3.52Å; F895-Y900 AromaticContact CD2-CZ 3.83Å; F895-Y900 HydrophobicContact CG-CE1 4.22Å; F895-Y900 PolarHBondContact N-OH 2.96Å; F895-Y900 VanDerWaalsContact N-OH 3.13Å; F895-Y900 WeakPolarHBondContact O-CE2 3.18Å; S897-Y900 PolarHBondContact O-N 2.67Å; Y900-A904 VanDerWaalsContact O-CB 3.26Å; Y900-A904 WeakPolarHBondContact O-CB 3.35Å; Y900-A904 PolarHBondContact O-N 2.77Å
901	V	87.3	Confident	89.4	Confident	33 Å²	33	28.9 Å²	28.9	20%	0.2	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-48.2	177.4	177.8	0	0	0	0	110.5	T109 S897 F898 Y903 A904 T905	T109-V901 HydrophobicContact CG2-CG2 3.58Å; S897-V901 PolarHBondContact O-N 3.28Å; F898-V901 PolarHBondContact O-N 3.31Å; V901-Y903 PolarHBondContact O-N 3.16Å; V901-A904 WeakPolarHBondContact O-CA 3.42Å; V901-A904 WeakPolarHBondContact O-CB 3.33Å; V901-A904 PolarHBondContact O-N 2.93Å; V901-T905 PolarHBondContact O-N 2.87Å; V901-T905 PolarHBondContact O-OG1 2.85Å
902	G	88.9	Confident	89.6	Confident	10 Å²	10	28.2 Å²	28.2	10%	0.103	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-42.9	179.6	0	0	0	0	0	112.9	F898 L899 A904 V906 F907	F898-G902 PolarHBondContact O-N 2.73Å; L899-G902 PolarHBondContact O-N 2.84Å; G902-A904 PolarHBondContact O-N 3.32Å; G902-V906 CarbonylContact O-C 3.18Å; G902-V906 WeakPolarHBondContact O-CA 3.46Å; G902-V906 WeakPolarHBondContact O-CB 3.41Å; G902-V906 PolarHBondContact O-N 2.94Å; G902-F907 WeakPolarHBondContact O-CD2 3.38Å; G902-F907 PolarHBondContact O-N 3.26Å
903	Y	90.3	Very high	89.6	Confident	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.143	C	C	.	.	I	π-helix	trans	-56.3	-39.6	170.8	-177.2	-114.3	0	0	0	110.8	R872 I876 L899 V901 F907 T908 F981 L984 L985 E988	R872-Y903 VanDerWaalsContact CD-CE1 3.45Å; R872-Y903 HydrophobicContact CG-CD1 4.18Å; R872-Y903 HydrophobicContact CG-CE1 3.18Å; R872-Y903 VanDerWaalsContact CG-CZ 3.48Å; R872-Y903 WeakPolarHBondContact CG-OH 3.3Å; R872-Y903 VanDerWaalsContact NE-CE1 3.27Å; R872-Y903 PolarHBondContact NH1-O 3.22Å; I876-Y903 HydrophobicContact CD1-CD1 3.43Å; I876-Y903 VanDerWaalsContact CD1-CD1 3.43Å; I876-Y903 HydrophobicContact CD1-CE1 3.31Å; I876-Y903 HydrophobicContact CD1-CG 4.47Å; I876-Y903 HydrophobicContact CG1-CE1 4.11Å; L899-Y903 WeakPolarHBondContact O-CB 3.39Å; L899-Y903 PolarHBondContact O-N 3.33Å; V901-Y903 PolarHBondContact O-N 3.16Å; Y903-F907 VanDerWaalsContact N-CD2 3.35Å; Y903-T908 HydrophobicContact CD2-CG2 3.71Å; Y903-T908 HydrophobicContact CE2-CG2 3.48Å; Y903-T908 VanDerWaalsContact CE2-CG2 3.48Å; Y903-T908 PolarHBondContact O-OG1 3.34Å; Y903-F981 HydrophobicContact CD2-CE2 4.29Å; Y903-F981 HydrophobicContact CD2-CZ 4.17Å; Y903-F981 HydrophobicContact CG-CE2 4.32Å; Y903-F981 HydrophobicContact CG-CZ 4.38Å; Y903-L984 HydrophobicContact CE1-CD2 4.23Å; Y903-L984 HydrophobicContact CE2-CD2 3.96Å; Y903-L984 HydrophobicContact CE2-CG 3.88Å; Y903-L984 VanDerWaalsContact OH-CD1 3.29Å; Y903-L984 WeakPolarHBondContact OH-CD1 3.23Å; Y903-L984 WeakPolarHBondContact OH-CG 3.39Å; Y903-L985 HydrophobicContact CD2-CD1 4.27Å; Y903-L985 HydrophobicContact CE2-CD1 4.36Å; Y903-E988 HydrophobicContact CE2-CG 4.3Å; Y903-E988 WeakPolarHBondContact OH-CG 3.5Å; Y903-E988 PolarHBondContact OH-OE1 3.4Å; Y903-E988 VanDerWaalsContact OH-OE1 3.12Å
904	A	84.9	Confident	89.7	Confident	22 Å²	22	23.9 Å²	23.9	18%	0.182	13%	0.132	C	C	.	.	I	π-helix	trans	-75.4	-37.6	-173.5	0	0	0	0	0	116.1	R872 Y900 V901 G902	R872-A904 PolarHBondContact NH1-O 2.78Å; Y900-A904 VanDerWaalsContact O-CB 3.26Å; Y900-A904 WeakPolarHBondContact O-CB 3.35Å; Y900-A904 PolarHBondContact O-N 2.77Å; V901-A904 WeakPolarHBondContact O-CA 3.42Å; V901-A904 WeakPolarHBondContact O-CB 3.33Å; V901-A904 PolarHBondContact O-N 2.93Å; G902-A904 PolarHBondContact O-N 3.32Å
905	T	84.6	Confident	89.7	Confident	63 Å²	63	23.7 Å²	23.7	39%	0.387	13%	0.131	S	C	.	.	I	π-helix	trans	-116.4	-22.8	-168.8	58.5	0	0	0	0	113.6	V901 M909	V901-T905 PolarHBondContact O-N 2.87Å; V901-T905 PolarHBondContact O-OG1 2.85Å; T905-M909 WeakPolarHBondContact O-CB 3.41Å
906	V	88.1	Confident	89.8	Confident	61 Å²	61	23.8 Å²	23.8	37%	0.37	13%	0.132	S	C	.	.	I	π-helix	trans	-116.7	-62.4	-172.2	-176.8	0	0	0	0	111.5	G902 T908 I1013	G902-V906 CarbonylContact O-C 3.18Å; G902-V906 WeakPolarHBondContact O-CA 3.46Å; G902-V906 WeakPolarHBondContact O-CB 3.41Å; G902-V906 PolarHBondContact O-N 2.94Å; V906-T908 PolarHBondContact O-N 3.49Å; V906-I1013 HydrophobicContact CG1-CG2 3.76Å
907	F	91	Very high	89.9	Confident	13 Å²	13	24.3 Å²	24.3	6%	0.057	13%	0.133	C	C	.	.	I	π-helix	trans	-70.6	-37.1	-165.4	-53.2	-44.5	0	0	0	113.8	L899 G902 Y903 F981 L985 S1010 I1013 Y1014 A1017	L899-F907 HydrophobicContact CD2-CE2 4.2Å; G902-F907 WeakPolarHBondContact O-CD2 3.38Å; G902-F907 PolarHBondContact O-N 3.26Å; Y903-F907 VanDerWaalsContact N-CD2 3.35Å; F907-F981 AromaticContact CD2-CE1 3.88Å; F907-F981 HydrophobicContact CD2-CE1 3.88Å; F907-F981 AromaticContact CD2-CZ 3.78Å; F907-F981 HydrophobicContact CD2-CZ 3.78Å; F907-F981 AromaticContact CE2-CE1 3.97Å; F907-F981 HydrophobicContact CE2-CE1 3.97Å; F907-F981 AromaticContact CE2-CZ 3.93Å; F907-F981 HydrophobicContact CE2-CZ 3.93Å; F907-L985 HydrophobicContact CB-CD1 3.62Å; F907-S1010 WeakPolarHBondContact O-CB 3.21Å; F907-S1010 PolarHBondContact O-OG 2.89Å; F907-I1013 HydrophobicContact CD1-CG2 3.99Å; F907-I1013 HydrophobicContact CE1-CG2 4.11Å; F907-Y1014 HydrophobicContact CD1-CD2 4.4Å; F907-Y1014 HydrophobicContact CD2-CD2 4.43Å; F907-Y1014 HydrophobicContact CG-CD2 4.39Å; F907-A1017 HydrophobicContact CE1-CB 3.8Å; F907-A1017 HydrophobicContact CZ-CB 3.95Å
908	T	90.5	Very high	90.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-0.4	-178.7	62.8	0	0	0	0	113.8	R872 Y903 V906 V912 L985 E988	R872-T908 WeakPolarHBondContact CD-OG1 3.46Å; R872-T908 PolarHBondContact NH1-OG1 3.09Å; Y903-T908 HydrophobicContact CD2-CG2 3.71Å; Y903-T908 HydrophobicContact CE2-CG2 3.48Å; Y903-T908 VanDerWaalsContact CE2-CG2 3.48Å; Y903-T908 PolarHBondContact O-OG1 3.34Å; V906-T908 PolarHBondContact O-N 3.49Å; T908-V912 WeakPolarHBondContact O-CB 3.46Å; T908-V912 VanDerWaalsContact O-CG2 3.28Å; T908-V912 WeakPolarHBondContact O-CG2 3.37Å; T908-V912 PolarHBondContact O-N 2.86Å; T908-L985 HydrophobicContact CG2-CD1 3.54Å; T908-E988 HydrophobicContact CG2-CB 4.42Å
909	M	88.3	Confident	90.2	Very high	27 Å²	27	25.8 Å²	25.8	13%	0.133	14%	0.137	C	C	.	.	H	α-helix	trans	-66.9	-49	-170.5	178.6	54.4	-171.3	0	0	112.3	N366 L369 T905 F913	N366-M909 WeakPolarHBondContact OD1-CE 3.16Å; N366-M909 PolarHBondContact OD1-SD 2.86Å; L369-M909 HydrophobicContact CD2-CE 3.76Å; T905-M909 WeakPolarHBondContact O-CB 3.41Å; M909-F913 HydrophobicContact CE-CB 3.92Å; M909-F913 HydrophobicContact CE-CD2 3.93Å; M909-F913 HydrophobicContact CE-CG 3.94Å; M909-F913 WeakPolarHBondContact O-CB 3.36Å; M909-F913 PolarHBondContact O-N 3Å; M909-F913 HydrophobicContact SD-CB 4.33Å
910	F	92.1	Very high	89.9	Confident	105 Å²	105	26.5 Å²	26.5	46%	0.461	14%	0.141	S	C	.	.	H	α-helix	trans	-62.9	-48.1	-176.2	-57.7	-71.9	0	0	0	113.4	F913 S914 A1006 I1009 I1013	F910-F913 PolarHBondContact O-N 3.1Å; F910-S914 WeakPolarHBondContact O-CB 3.5Å; F910-S914 PolarHBondContact O-N 3.45Å; F910-A1006 HydrophobicContact CB-CB 3.79Å; F910-I1009 HydrophobicContact CD2-CG2 4.25Å; F910-I1009 HydrophobicContact CE2-CG2 4.32Å; F910-I1013 HydrophobicContact CD2-CD1 4.48Å; F910-I1013 HydrophobicContact CE2-CD1 3.98Å
911	P	92.6	Very high	89.9	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-64.7	-48.7	-179	-25.3	36.2	0	0	0	112.1	F913 S914 L989 V992 E1007 S1010	P911-F913 VanDerWaalsContact C-N 3.31Å; P911-F913 PolarHBondContact O-N 3.35Å; P911-S914 WeakPolarHBondContact O-CB 2.88Å; P911-S914 PolarHBondContact O-N 3.36Å; P911-S914 VanDerWaalsContact O-N 3.09Å; P911-S914 PolarHBondContact O-OG 3.38Å; P911-L989 HydrophobicContact CB-CD2 4.14Å; P911-L989 HydrophobicContact CG-CD2 3.58Å; P911-V992 HydrophobicContact CB-CG1 4.03Å; P911-E1007 HydrophobicContact CB-CG 4.5Å; P911-S1010 WeakPolarHBondContact CD-OG 3.49Å; P911-S1010 WeakPolarHBondContact CG-OG 3.47Å
912	V	92	Very high	90	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-61.7	-42.6	179.1	174.2	0	0	0	0	110.5	L865 F868 V869 T908 S914 L915 V992	L865-V912 HydrophobicContact CD1-CG1 3.71Å; L865-V912 VanDerWaalsContact CD1-O 3.27Å; L865-V912 WeakPolarHBondContact CD1-O 3.38Å; F868-V912 HydrophobicContact CB-CG1 4.24Å; V869-V912 HydrophobicContact CG2-CG1 3.77Å; T908-V912 WeakPolarHBondContact O-CB 3.46Å; T908-V912 VanDerWaalsContact O-CG2 3.28Å; T908-V912 WeakPolarHBondContact O-CG2 3.37Å; T908-V912 PolarHBondContact O-N 2.86Å; V912-S914 VanDerWaalsContact C-N 3.31Å; V912-S914 PolarHBondContact O-N 3.26Å; V912-L915 WeakPolarHBondContact O-CB 3.27Å; V912-L915 WeakPolarHBondContact O-CD1 3.27Å; V912-L915 WeakPolarHBondContact O-CG 3.47Å; V912-L915 PolarHBondContact O-N 3.29Å; V912-V992 HydrophobicContact CG2-CG2 3.94Å
913	F	92.4	Very high	90.1	Very high	37 Å²	37	29.6 Å²	29.6	16%	0.162	16%	0.159	C	C	.	.	H	α-helix	trans	-69.3	-28.5	177.1	-169.5	-104.2	0	0	0	113.1	L369 A370 V373 M909 F910 P911 L915 V916	L369-F913 HydrophobicContact CB-CE2 3.73Å; L369-F913 HydrophobicContact CB-CZ 4.04Å; L369-F913 HydrophobicContact CD2-CD1 4.28Å; L369-F913 HydrophobicContact CD2-CD2 3.97Å; L369-F913 HydrophobicContact CD2-CE1 3.9Å; L369-F913 HydrophobicContact CD2-CE2 3.58Å; L369-F913 HydrophobicContact CD2-CG 4.32Å; L369-F913 HydrophobicContact CD2-CZ 3.56Å; L369-F913 HydrophobicContact CG-CD2 4.43Å; L369-F913 HydrophobicContact CG-CE1 4.12Å; L369-F913 HydrophobicContact CG-CE2 3.56Å; L369-F913 HydrophobicContact CG-CZ 3.39Å; A370-F913 HydrophobicContact CB-CE2 4.13Å; V373-F913 HydrophobicContact CB-CZ 4.28Å; V373-F913 HydrophobicContact CG2-CE1 3.9Å; V373-F913 HydrophobicContact CG2-CZ 3.65Å; M909-F913 HydrophobicContact CE-CB 3.92Å; M909-F913 HydrophobicContact CE-CD2 3.93Å; M909-F913 HydrophobicContact CE-CG 3.94Å; M909-F913 WeakPolarHBondContact O-CB 3.36Å; M909-F913 PolarHBondContact O-N 3Å; M909-F913 HydrophobicContact SD-CB 4.33Å; F910-F913 PolarHBondContact O-N 3.1Å; P911-F913 VanDerWaalsContact C-N 3.31Å; P911-F913 PolarHBondContact O-N 3.35Å; F913-L915 PolarHBondContact O-N 2.69Å; F913-L915 VanDerWaalsContact O-N 3.1Å; F913-V916 HydrophobicContact CD2-CG2 4.21Å; F913-V916 HydrophobicContact CE2-CG2 3.91Å; F913-V916 HydrophobicContact CZ-CG2 4.15Å; F913-V916 WeakPolarHBondContact O-CB 3.32Å; F913-V916 VanDerWaalsContact O-CG2 3.25Å; F913-V916 WeakPolarHBondContact O-CG2 3.27Å; F913-V916 PolarHBondContact O-N 3Å; F913-V916 VanDerWaalsContact O-N 3.09Å
914	S	93.1	Very high	90	Very high	7 Å²	7	39.8 Å²	39.8	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-19	178.1	81.9	0	0	0	0	113.4	F910 P911 V912 V916 L917	F910-S914 WeakPolarHBondContact O-CB 3.5Å; F910-S914 PolarHBondContact O-N 3.45Å; P911-S914 WeakPolarHBondContact O-CB 2.88Å; P911-S914 PolarHBondContact O-N 3.36Å; P911-S914 VanDerWaalsContact O-N 3.09Å; P911-S914 PolarHBondContact O-OG 3.38Å; V912-S914 VanDerWaalsContact C-N 3.31Å; V912-S914 PolarHBondContact O-N 3.26Å; S914-V916 PolarHBondContact O-N 3.14Å; S914-V916 VanDerWaalsContact O-N 3.11Å; S914-L917 VanDerWaalsContact O-CB 3.26Å; S914-L917 WeakPolarHBondContact O-CB 3.46Å; S914-L917 PolarHBondContact O-N 2.94Å
915	L	92	Very high	90.3	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-57.7	-22.4	172.8	-65	176	0	0	0	113.4	F868 V912 F913 L917 D918 V992 I996	F868-L915 HydrophobicContact CB-CD1 4.28Å; F868-L915 HydrophobicContact CD2-CD1 3.36Å; F868-L915 HydrophobicContact CE2-CD1 3.81Å; F868-L915 HydrophobicContact CG-CD1 3.88Å; V912-L915 WeakPolarHBondContact O-CB 3.27Å; V912-L915 WeakPolarHBondContact O-CD1 3.27Å; V912-L915 WeakPolarHBondContact O-CG 3.47Å; V912-L915 PolarHBondContact O-N 3.29Å; F913-L915 PolarHBondContact O-N 2.69Å; F913-L915 VanDerWaalsContact O-N 3.1Å; L915-L917 PolarHBondContact O-N 2.76Å; L915-D918 PolarHBondContact O-N 3.11Å; L915-V992 HydrophobicContact CD2-CG1 4.25Å; L915-V992 HydrophobicContact CG-CG1 4.5Å; L915-I996 HydrophobicContact CD2-CG1 4.02Å
916	V	93	Very high	90.5	Very high	3 Å²	3	38 Å²	38	2%	0.018	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-58.7	-27	172.1	173.4	0	0	0	0	111.7	A370 V373 Y374 N861 L865 F913 S914	A370-V916 HydrophobicContact CB-CG2 3.6Å; V373-V916 HydrophobicContact CB-CG1 4Å; V373-V916 HydrophobicContact CG1-CG1 3.58Å; Y374-V916 HydrophobicContact CD1-CG1 3.88Å; Y374-V916 HydrophobicContact CE1-CB 4.26Å; Y374-V916 HydrophobicContact CE1-CG1 3.41Å; Y374-V916 VanDerWaalsContact CE1-CG1 3.41Å; N861-V916 PolarHBondContact ND2-O 3.19Å; L865-V916 HydrophobicContact CD2-CG2 4.07Å; F913-V916 HydrophobicContact CD2-CG2 4.21Å; F913-V916 HydrophobicContact CE2-CG2 3.91Å; F913-V916 HydrophobicContact CZ-CG2 4.15Å; F913-V916 WeakPolarHBondContact O-CB 3.32Å; F913-V916 VanDerWaalsContact O-CG2 3.25Å; F913-V916 WeakPolarHBondContact O-CG2 3.27Å; F913-V916 PolarHBondContact O-N 3Å; F913-V916 VanDerWaalsContact O-N 3.09Å; S914-V916 PolarHBondContact O-N 3.14Å; S914-V916 VanDerWaalsContact O-N 3.11Å
917	L	92.1	Very high	90.6	Very high	48 Å²	48	38.6 Å²	38.6	25%	0.251	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-86.4	-9.7	-179.3	-54	-180	0	0	0	114.3	M377 S914 L915 L1002 M1003	M377-L917 HydrophobicContact CE-CD2 3.08Å; M377-L917 HydrophobicContact CE-CG 4.5Å; S914-L917 VanDerWaalsContact O-CB 3.26Å; S914-L917 WeakPolarHBondContact O-CB 3.46Å; S914-L917 PolarHBondContact O-N 2.94Å; L915-L917 PolarHBondContact O-N 2.76Å; L917-L1002 HydrophobicContact CD1-CB 3.77Å; L917-L1002 HydrophobicContact CD1-CD1 3.93Å; L917-M1003 VanDerWaalsContact C-CE 3.44Å; L917-M1003 HydrophobicContact CB-CE 3.57Å
918	D	91.6	Very high	90.6	Very high	15 Å²	15	42.4 Å²	42.4	8%	0.08	21%	0.207	C	C	.	.			trans	-69.5	146	-174.5	-165.6	28.2	0	0	0	111.3	N861 L915 R997 T998 M1003	N861-D918 PolarHBondContact ND2-O 3.05Å; N861-D918 PolarHBondContact OD1-O 3.11Å; L915-D918 PolarHBondContact O-N 3.11Å; D918-R997 PolarHBondContact OD1-N 3.27Å; D918-R997 PolarHBondContact OD2-N 2.73Å; D918-T998 PolarHBondContact OD1-N 3.33Å; D918-T998 PolarHBondContact OD1-OG1 3Å; D918-M1003 HydrophobicContact CB-CE 3.93Å; D918-M1003 VanDerWaalsContact N-CE 3.34Å
919	K	89.9	Confident	90.6	Very high	79 Å²	79	47 Å²	47	34%	0.343	23%	0.225	S	C	.	.			trans	-124.1	118.5	174.3	-70	-169.3	175.3	-166.6	0	108.5	V921 D923 T998	K919-V921 VanDerWaalsContact C-N 3.33Å; K919-D923 IonicContact NZ-OD1 3.92Å; K919-D923 PolarHBondContact NZ-OD1 2.86Å; K919-D923 IonicContact NZ-OD2 2.81Å; K919-D923 PolarHBondContact NZ-OD2 2.93Å; K919-T998 PolarHBondContact N-OG1 2.78Å; K919-T998 WeakPolarHBondContact O-CG2 3.05Å; K919-T998 PolarHBondContact O-OG1 2.87Å; K919-T998 VanDerWaalsContact O-OG1 3.14Å
920	D	85.4	Confident	90.8	Very high	14 Å²	14	46.3 Å²	46.3	8%	0.075	22%	0.223	C	C	.	.	S	Bend	trans	-76.9	-26	-178.6	84	-56.8	0	0	0	112.9	R856 K860	R856-D920 IonicContact CZ-OD1 2.65Å; R856-D920 IonicContact CZ-OD2 2.8Å; R856-D920 IonicContact NE-OD1 2.61Å; R856-D920 PolarHBondContact NE-OD1 3.4Å; R856-D920 IonicContact NE-OD2 3.23Å; R856-D920 PolarHBondContact NE-OD2 2.83Å; R856-D920 VanDerWaalsContact NE-OD2 3.1Å; R856-D920 IonicContact NH2-OD1 3.94Å; R856-D920 IonicContact NH2-OD2 3.06Å; R856-D920 PolarHBondContact NH2-OD2 3.19Å; K860-D920 HydrophobicContact CD-CB 4.22Å; K860-D920 WeakPolarHBondContact CD-OD2 3.06Å; K860-D920 WeakPolarHBondContact CE-OD2 3.43Å; K860-D920 IonicContact NZ-OD2 2.65Å; K860-D920 PolarHBondContact NZ-OD2 3.02Å
921	V	87.7	Confident	90.7	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.024	23%	0.231	C	C	.	.	S	Bend	trans	-140.7	148.3	171.1	-65.4	0	0	0	0	109.8	K919 A926 Y1065	K919-V921 VanDerWaalsContact C-N 3.33Å; V921-A926 HydrophobicContact CG2-CB 4.09Å; V921-Y1065 HydrophobicContact CG1-CD1 4.42Å; V921-Y1065 HydrophobicContact CG1-CD2 4.02Å; V921-Y1065 HydrophobicContact CG1-CG 3.86Å
922	P	89.5	Confident	90.5	Very high	68 Å²	68	48 Å²	48	44%	0.442	23%	0.232	S	C	.	.			trans	-61.2	144.9	170	-21.3	31.9	0	0	0	112.3	R924 I925 A926	P922-R924 PolarHBondContact O-N 3.44Å; P922-R924 VanDerWaalsContact O-N 3.09Å; P922-I925 HydrophobicContact CB-CG1 4.47Å; P922-I925 HydrophobicContact CG-CD1 4.17Å; P922-I925 PolarHBondContact O-N 3.46Å; P922-A926 PolarHBondContact O-N 2.67Å
923	D	90.5	Very high	90.5	Very high	47 Å²	47	48.1 Å²	48.1	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-52.8	-37.9	-175.8	-54.4	-10.1	0	0	0	112.8	V853 K919 I925 A926 I927	V853-D923 HydrophobicContact CG1-CB 3.83Å; V853-D923 WeakPolarHBondContact CG1-OD1 3.43Å; V853-D923 HydrophobicContact CG2-CB 4.28Å; K919-D923 IonicContact NZ-OD1 3.92Å; K919-D923 PolarHBondContact NZ-OD1 2.86Å; K919-D923 IonicContact NZ-OD2 2.81Å; K919-D923 PolarHBondContact NZ-OD2 2.93Å; D923-I925 PolarHBondContact O-N 3.24Å; D923-A926 PolarHBondContact O-N 2.76Å; D923-I927 WeakPolarHBondContact O-CG1 3.29Å; D923-I927 PolarHBondContact O-N 2.72Å
924	R	89.5	Confident	90.4	Very high	215 Å²	215	52.1 Å²	52.1	81%	0.811	25%	0.25	S	C	*	.	H	α-helix	trans	-60.9	-44.3	177.9	-64.3	-175.7	-179	-170.8	-0.1	112.5	P922 A926 I927 T928	P922-R924 PolarHBondContact O-N 3.44Å; P922-R924 VanDerWaalsContact O-N 3.09Å; R924-A926 VanDerWaalsContact C-N 3.32Å; R924-A926 PolarHBondContact O-N 3.44Å; R924-I927 PolarHBondContact O-N 3.38Å; R924-T928 PolarHBondContact O-N 2.97Å; R924-T928 PolarHBondContact O-OG1 2.9Å
925	I	89.8	Confident	90	Very high	43 Å²	43	53.8 Å²	53.8	22%	0.221	26%	0.26	C	S	.	.	H	α-helix	trans	-67.5	-37.1	-178.2	-59.3	-171.9	0	0	0	110.4	P922 D923 I927 T928 Y929 L932 Q1069	P922-I925 HydrophobicContact CB-CG1 4.47Å; P922-I925 HydrophobicContact CG-CD1 4.17Å; P922-I925 PolarHBondContact O-N 3.46Å; D923-I925 PolarHBondContact O-N 3.24Å; I925-I927 VanDerWaalsContact C-N 3.29Å; I925-I927 PolarHBondContact O-N 3.07Å; I925-T928 PolarHBondContact O-N 3.15Å; I925-Y929 HydrophobicContact CG2-CD2 3.88Å; I925-Y929 HydrophobicContact CG2-CE2 4.47Å; I925-Y929 PolarHBondContact O-N 3.02Å; I925-L932 HydrophobicContact CG2-CD1 4.35Å; I925-Q1069 HydrophobicContact CD1-CG 4.24Å
926	A	89.2	Confident	89.9	Confident	5 Å²	5	53.7 Å²	53.7	4%	0.041	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-34.5	177.1	0	0	0	0	0	112.8	V853 V921 P922 D923 R924	V853-A926 HydrophobicContact CG2-CB 4.17Å; V921-A926 HydrophobicContact CG2-CB 4.09Å; P922-A926 PolarHBondContact O-N 2.67Å; D923-A926 PolarHBondContact O-N 2.76Å; R924-A926 VanDerWaalsContact C-N 3.32Å; R924-A926 PolarHBondContact O-N 3.44Å
927	I	91	Very high	89.6	Confident	72 Å²	72	55.3 Å²	55.3	37%	0.369	27%	0.266	S	S	.	.	H	α-helix	trans	-76.9	-42.9	175.6	-59.2	166.1	0	0	0	110.9	V853 D923 R924 I925 Y929 P930	V853-I927 HydrophobicContact CG2-CD1 4.33Å; V853-I927 HydrophobicContact CG2-CG1 3.91Å; D923-I927 WeakPolarHBondContact O-CG1 3.29Å; D923-I927 PolarHBondContact O-N 2.72Å; R924-I927 PolarHBondContact O-N 3.38Å; I925-I927 VanDerWaalsContact C-N 3.29Å; I925-I927 PolarHBondContact O-N 3.07Å; I927-Y929 VanDerWaalsContact C-N 3.33Å; I927-Y929 PolarHBondContact O-N 3.15Å; I927-P930 WeakPolarHBondContact O-CD 3.48Å; I927-P930 WeakPolarHBondContact O-CG 3.16Å
928	T	90.8	Very high	89.2	Confident	93 Å²	93	59.7 Å²	59.7	57%	0.571	28%	0.283	S	S	*	.	H	α-helix	trans	-66.3	-33.9	-179.7	-56	0	0	0	0	112.6	R924 I925 P930	R924-T928 PolarHBondContact O-N 2.97Å; R924-T928 PolarHBondContact O-OG1 2.9Å; I925-T928 PolarHBondContact O-N 3.15Å; T928-P930 VanDerWaalsContact C-CD 3.46Å; T928-P930 VanDerWaalsContact O-CD 3.31Å; T928-P930 WeakPolarHBondContact O-CD 3.46Å
929	Y	91.3	Very high	88.8	Confident	99 Å²	99	59.2 Å²	59.2	39%	0.388	28%	0.282	S	S	.	.			trans	-119.8	75.3	178.5	-60.3	-78.4	0	0	0	112	I925 I927 E931 L932 L1068	I925-Y929 HydrophobicContact CG2-CD2 3.88Å; I925-Y929 HydrophobicContact CG2-CE2 4.47Å; I925-Y929 PolarHBondContact O-N 3.02Å; I927-Y929 VanDerWaalsContact C-N 3.33Å; I927-Y929 PolarHBondContact O-N 3.15Å; Y929-E931 PolarHBondContact O-N 2.77Å; Y929-E931 VanDerWaalsContact O-N 3.08Å; Y929-L932 WeakPolarHBondContact O-CB 3.31Å; Y929-L932 WeakPolarHBondContact O-CG 3.48Å; Y929-L932 PolarHBondContact O-N 3.15Å; Y929-L932 VanDerWaalsContact O-N 3.14Å; Y929-L1068 HydrophobicContact CD1-CD2 4.19Å; Y929-L1068 HydrophobicContact CE1-CD2 4.17Å
930	P	91	Very high	88.5	Confident	12 Å²	12	62.3 Å²	62.3	8%	0.078	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.5	-179	-23.6	33.2	0	0	0	113.8	A688 N691 A692 L852 I927 T928 L932 Y933	A688-P930 HydrophobicContact CB-CG 4.07Å; A688-P930 VanDerWaalsContact O-CB 3.25Å; A688-P930 WeakPolarHBondContact O-CB 3.42Å; N691-P930 HydrophobicContact CB-CB 4.18Å; N691-P930 HydrophobicContact CB-CG 4.4Å; A692-P930 WeakPolarHBondContact CA-O 3.4Å; A692-P930 HydrophobicContact CB-CB 3.93Å; L852-P930 HydrophobicContact CD1-CB 4.01Å; L852-P930 HydrophobicContact CD1-CG 4.21Å; L852-P930 HydrophobicContact CD2-CB 4.34Å; I927-P930 WeakPolarHBondContact O-CD 3.48Å; I927-P930 WeakPolarHBondContact O-CG 3.16Å; T928-P930 VanDerWaalsContact C-CD 3.46Å; T928-P930 VanDerWaalsContact O-CD 3.31Å; T928-P930 WeakPolarHBondContact O-CD 3.46Å; P930-L932 PolarHBondContact O-N 3.26Å; P930-Y933 WeakPolarHBondContact O-CB 3.42Å; P930-Y933 PolarHBondContact O-N 3.38Å
931	E	90.5	Very high	88.4	Confident	134 Å²	134	65.1 Å²	65.1	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-55.2	-25.7	177.8	-59.7	-174.6	-179	0	0	113.5	Y929 Y933 K934	Y929-E931 PolarHBondContact O-N 2.77Å; Y929-E931 VanDerWaalsContact O-N 3.08Å; E931-Y933 PolarHBondContact O-N 3.22Å; E931-K934 VanDerWaalsContact O-CB 3.27Å; E931-K934 WeakPolarHBondContact O-CB 3.47Å; E931-K934 PolarHBondContact O-N 2.67Å; E931-K934 VanDerWaalsContact O-N 3.09Å
932	L	89.1	Confident	88.2	Confident	7 Å²	7	65.4 Å²	65.4	4%	0.037	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-29.7	174	-69.3	177.1	0	0	0	112.1	R856 I925 Y929 P930 T935 I1064 L1068	R856-L932 PolarHBondContact NH1-O 2.88Å; I925-L932 HydrophobicContact CG2-CD1 4.35Å; Y929-L932 WeakPolarHBondContact O-CB 3.31Å; Y929-L932 WeakPolarHBondContact O-CG 3.48Å; Y929-L932 PolarHBondContact O-N 3.15Å; Y929-L932 VanDerWaalsContact O-N 3.14Å; P930-L932 PolarHBondContact O-N 3.26Å; L932-T935 PolarHBondContact O-OG1 2.98Å; L932-I1064 HydrophobicContact CD2-CG2 4.42Å; L932-L1068 HydrophobicContact CD2-CD1 3.86Å; L932-L1068 HydrophobicContact CG-CD1 4.41Å
933	Y	92.1	Very high	88	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-69.3	-35.8	177.1	-176.3	-85.8	0	0	0	112.5	L398 R400 I401 A692 I694 L851 L852 P930 E931 T935 L936 Q937	L398-Y933 WeakPolarHBondContact O-CE2 3.49Å; L398-Y933 PolarHBondContact O-OH 3.42Å; R400-Y933 PolarHBondContact N-OH 2.87Å; I401-Y933 WeakPolarHBondContact CB-OH 3.46Å; I401-Y933 PolarHBondContact N-OH 2.79Å; I401-Y933 WeakPolarHBondContact O-CE1 3.49Å; I401-Y933 PolarHBondContact O-OH 3.17Å; A692-Y933 HydrophobicContact CB-CD1 4.04Å; A692-Y933 HydrophobicContact CB-CG 4.25Å; I694-Y933 HydrophobicContact CD1-CD1 4.15Å; I694-Y933 HydrophobicContact CD1-CE1 3.7Å; I694-Y933 HydrophobicContact CG1-CD1 4.24Å; I694-Y933 HydrophobicContact CG1-CE1 3.82Å; L851-Y933 HydrophobicContact CB-CE2 4.28Å; L851-Y933 WeakPolarHBondContact O-CE2 3.33Å; L852-Y933 HydrophobicContact CD2-CD2 3.99Å; L852-Y933 HydrophobicContact CD2-CG 3.86Å; P930-Y933 WeakPolarHBondContact O-CB 3.42Å; P930-Y933 PolarHBondContact O-N 3.38Å; E931-Y933 PolarHBondContact O-N 3.22Å; Y933-T935 PolarHBondContact O-N 2.86Å; Y933-L936 HydrophobicContact CD2-CD1 3.84Å; Y933-L936 HydrophobicContact CE2-CD1 4.31Å; Y933-L936 HydrophobicContact CG-CD1 4.32Å; Y933-L936 VanDerWaalsContact O-CB 3.23Å; Y933-L936 WeakPolarHBondContact O-CB 3.47Å; Y933-L936 PolarHBondContact O-N 2.84Å; Y933-Q937 HydrophobicContact CD1-CG 4.43Å; Y933-Q937 HydrophobicContact CE1-CG 4.07Å
934	K	89	Confident	87.9	Confident	122 Å²	122	68.2 Å²	68.2	53%	0.53	31%	0.313	S	S	.	.	H	α-helix	trans	-56.2	-28.7	177.9	-167.6	174.3	-179.3	174.9	0	112.9	A692 E931 L936	A692-K934 WeakPolarHBondContact O-CA 3.3Å; A692-K934 WeakPolarHBondContact O-CB 3.21Å; A692-K934 PolarHBondContact O-N 3.31Å; E931-K934 VanDerWaalsContact O-CB 3.27Å; E931-K934 WeakPolarHBondContact O-CB 3.47Å; E931-K934 PolarHBondContact O-N 2.67Å; E931-K934 VanDerWaalsContact O-N 3.09Å; K934-L936 VanDerWaalsContact C-N 3.32Å
935	T	86.3	Confident	87.9	Confident	42 Å²	42	65.1 Å²	65.1	26%	0.258	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-32	177	69.8	0	0	0	0	112.8	L932 Y933 K938 I1064	L932-T935 PolarHBondContact O-OG1 2.98Å; Y933-T935 PolarHBondContact O-N 2.86Å; T935-K938 PolarHBondContact O-N 2.68Å; T935-I1064 HydrophobicContact CG2-CD1 3.92Å
936	L	88.4	Confident	87.9	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-70.9	-35	-179	-55.9	169.2	0	0	0	111.2	G399 R400 R856 Y859 K860 Y933 K934 K938 G939	G399-L936 WeakPolarHBondContact O-CB 3.26Å; R400-L936 PolarHBondContact NH1-O 2.77Å; R856-L936 HydrophobicContact CB-CD1 3.7Å; R856-L936 HydrophobicContact CG-CD1 3.85Å; R856-L936 HydrophobicContact CG-CD2 4.39Å; Y859-L936 HydrophobicContact CD1-CB 4.45Å; Y859-L936 HydrophobicContact CD1-CD2 3.91Å; Y859-L936 HydrophobicContact CE1-CD2 4.37Å; K860-L936 HydrophobicContact CD-CD2 4.26Å; K860-L936 VanDerWaalsContact CE-CD2 3.42Å; K860-L936 HydrophobicContact CG-CD2 3.98Å; Y933-L936 HydrophobicContact CD2-CD1 3.84Å; Y933-L936 HydrophobicContact CE2-CD1 4.31Å; Y933-L936 HydrophobicContact CG-CD1 4.32Å; Y933-L936 VanDerWaalsContact O-CB 3.23Å; Y933-L936 WeakPolarHBondContact O-CB 3.47Å; Y933-L936 PolarHBondContact O-N 2.84Å; K934-L936 VanDerWaalsContact C-N 3.32Å; L936-K938 PolarHBondContact O-N 2.85Å; L936-K938 VanDerWaalsContact O-N 3.1Å; L936-G939 PolarHBondContact O-N 3.22Å
937	Q	87.3	Confident	87.8	Confident	36 Å²	36	64.7 Å²	64.7	17%	0.168	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-59.3	-20.6	178	-66.1	177.1	-15.2	0	0	113.9	R400 I401 G693 Y933	R400-Q937 VanDerWaalsContact NH1-CA 3.31Å; R400-Q937 PolarHBondContact NH1-O 3.29Å; I401-Q937 PolarHBondContact O-NE2 2.86Å; G693-Q937 PolarHBondContact O-NE2 2.95Å; Y933-Q937 HydrophobicContact CD1-CG 4.43Å; Y933-Q937 HydrophobicContact CE1-CG 4.07Å
938	K	84.1	Confident	87.9	Confident	141 Å²	141	67.2 Å²	67.2	61%	0.613	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-82.8	-15.4	174.6	-66.2	-175	-179.7	-178.5	0	114.2	T935 L936 R940	T935-K938 PolarHBondContact O-N 2.68Å; L936-K938 PolarHBondContact O-N 2.85Å; L936-K938 VanDerWaalsContact O-N 3.1Å; K938-R940 HydrophobicContact CB-CG 4.02Å; K938-R940 PolarHBondContact O-N 3.3Å
939	G	82.6	Confident	87.9	Confident	4 Å²	4	66.7 Å²	66.7	4%	0.041	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.8	31.4	176.2	0	0	0	0	0	114	R400 Y859 L936 E941 L942 T943	R400-G939 VanDerWaalsContact CZ-CA 3.46Å; Y859-G939 VanDerWaalsContact OH-CA 3.24Å; Y859-G939 WeakPolarHBondContact OH-CA 3.25Å; L936-G939 PolarHBondContact O-N 3.22Å; G939-E941 VanDerWaalsContact C-N 3.25Å; G939-E941 PolarHBondContact O-N 2.68Å; G939-L942 PolarHBondContact O-N 3.08Å; G939-T943 WeakPolarHBondContact O-CG2 3.48Å
940	R	83.6	Confident	88	Confident	144 Å²	144	63.9 Å²	63.9	54%	0.543	29%	0.294	S	S	.	.			trans	-67.2	-23.8	-171.8	-71.2	179.7	171.9	179.4	-4.3	114	K938 T946	K938-R940 HydrophobicContact CB-CG 4.02Å; K938-R940 PolarHBondContact O-N 3.3Å; R940-T946 PolarHBondContact O-OG1 3.49Å
941	E	82.2	Confident	88	Confident	73 Å²	73	64.5 Å²	64.5	34%	0.341	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-41.6	-178	-55.6	-62.4	169.3	0	0	111	Y859 K860 A863 G939 T946	Y859-E941 HydrophobicContact CE1-CB 4.14Å; Y859-E941 HydrophobicContact CE1-CG 3.93Å; K860-E941 IonicContact NZ-OE1 3.7Å; A863-E941 HydrophobicContact CB-CB 3.95Å; G939-E941 VanDerWaalsContact C-N 3.25Å; G939-E941 PolarHBondContact O-N 2.68Å; E941-T946 WeakPolarHBondContact O-CB 3.49Å; E941-T946 WeakPolarHBondContact O-CG2 3.45Å; E941-T946 PolarHBondContact O-OG1 2.9Å
942	L	84.1	Confident	88.2	Confident	11 Å²	11	62.6 Å²	62.6	6%	0.058	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	60.5	-177.7	-157.2	82.2	0	0	0	112.1	I312 E315 I316 I319 A863 L867 G939	I312-L942 HydrophobicContact CG1-CD2 3.95Å; E315-L942 HydrophobicContact CB-CD2 3.65Å; I316-L942 HydrophobicContact CD1-CD2 4.32Å; I316-L942 HydrophobicContact CG1-CD2 3.61Å; I319-L942 HydrophobicContact CD1-CD1 4.39Å; I319-L942 HydrophobicContact CD1-CD2 4.24Å; I319-L942 HydrophobicContact CD1-CG 4.03Å; A863-L942 HydrophobicContact CB-CD1 4.43Å; L867-L942 HydrophobicContact CD2-CD1 4.41Å; L867-L942 HydrophobicContact CG-CD1 4.28Å; G939-L942 PolarHBondContact O-N 3.08Å
943	T	86.7	Confident	88.4	Confident	50 Å²	50	64 Å²	64	31%	0.307	30%	0.296	S	S	.	.			trans	-101.8	157.3	175.1	64.8	0	0	0	0	111.8	G939 K945 T946 Y947	G939-T943 WeakPolarHBondContact O-CG2 3.48Å; T943-K945 PolarHBondContact O-N 3.15Å; T943-K945 VanDerWaalsContact O-N 3.13Å; T943-T946 PolarHBondContact O-N 2.75Å; T943-T946 VanDerWaalsContact O-N 3.09Å; T943-T946 PolarHBondContact OG1-N 2.8Å; T943-T946 PolarHBondContact OG1-OG1 3.46Å; T943-T946 VanDerWaalsContact OG1-OG1 3.06Å; T943-Y947 WeakPolarHBondContact O-CB 3.49Å; T943-Y947 PolarHBondContact O-N 3.48Å
944	F	87.6	Confident	88.5	Confident	124 Å²	124	63.8 Å²	63.8	54%	0.544	30%	0.295	S	S	.	.	H	α-helix	trans	-54.1	-30.7	171.2	-71.9	-71.3	0	0	0	112.9	I319 L322 F948	I319-F944 HydrophobicContact CG1-CE1 4.37Å; L322-F944 HydrophobicContact CD2-CD1 3.92Å; L322-F944 HydrophobicContact CD2-CE1 3.98Å; F944-F948 WeakPolarHBondContact O-CB 3.27Å; F944-F948 PolarHBondContact O-N 3.08Å
945	K	89.4	Confident	88.8	Confident	149 Å²	149	61.2 Å²	61.2	65%	0.648	29%	0.289	S	S	*	.	H	α-helix	trans	-67.1	-50.9	175	-177.5	178.5	179.9	174.3	0	111.8	T943 Y947 F948 I949	T943-K945 PolarHBondContact O-N 3.15Å; T943-K945 VanDerWaalsContact O-N 3.13Å; K945-Y947 VanDerWaalsContact C-N 3.26Å; K945-Y947 PolarHBondContact O-N 3Å; K945-F948 PolarHBondContact O-N 3.32Å; K945-I949 HydrophobicContact CG-CD1 4.22Å; K945-I949 WeakPolarHBondContact O-CG1 3.09Å; K945-I949 PolarHBondContact O-N 2.7Å
946	T	88.7	Confident	89.3	Confident	32 Å²	32	63.3 Å²	63.3	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-58.3	-45.6	177.1	-49.6	0	0	0	0	109.9	L867 R940 E941 T943 F948 I949 W950	L867-T946 HydrophobicContact CD1-CG2 3.91Å; R940-T946 PolarHBondContact O-OG1 3.49Å; E941-T946 WeakPolarHBondContact O-CB 3.49Å; E941-T946 WeakPolarHBondContact O-CG2 3.45Å; E941-T946 PolarHBondContact O-OG1 2.9Å; T943-T946 PolarHBondContact O-N 2.75Å; T943-T946 VanDerWaalsContact O-N 3.09Å; T943-T946 PolarHBondContact OG1-N 2.8Å; T943-T946 PolarHBondContact OG1-OG1 3.46Å; T943-T946 VanDerWaalsContact OG1-OG1 3.06Å; T946-F948 PolarHBondContact O-N 3.04Å; T946-I949 PolarHBondContact O-N 2.85Å; T946-W950 VanDerWaalsContact O-CD1 3.25Å; T946-W950 PolarHBondContact O-N 3.37Å
947	Y	89.1	Confident	89.6	Confident	7 Å²	7	63.2 Å²	63.2	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-48.5	175.9	176.4	-101.3	0	0	0	112.8	I319 L322 L323 I870 T943 K945 I949 W950 Q951	I319-Y947 HydrophobicContact CG2-CD1 4.43Å; I319-Y947 HydrophobicContact CG2-CD2 3.62Å; I319-Y947 HydrophobicContact CG2-CE1 4.35Å; I319-Y947 HydrophobicContact CG2-CE2 3.55Å; I319-Y947 HydrophobicContact CG2-CG 4.08Å; L322-Y947 HydrophobicContact CD2-CD1 4.38Å; L322-Y947 HydrophobicContact CD2-CE1 4.16Å; L323-Y947 HydrophobicContact CD1-CE2 4.39Å; L323-Y947 WeakPolarHBondContact CD2-OH 3.49Å; L323-Y947 WeakPolarHBondContact CG-OH 3.12Å; I870-Y947 HydrophobicContact CG2-CE2 3.83Å; T943-Y947 WeakPolarHBondContact O-CB 3.49Å; T943-Y947 PolarHBondContact O-N 3.48Å; K945-Y947 VanDerWaalsContact C-N 3.26Å; K945-Y947 PolarHBondContact O-N 3Å; Y947-I949 VanDerWaalsContact C-N 3.32Å; Y947-I949 PolarHBondContact O-N 3.16Å; Y947-W950 PolarHBondContact O-N 3.04Å; Y947-W950 VanDerWaalsContact O-N 3.17Å; Y947-Q951 HydrophobicContact CD1-CG 4.15Å; Y947-Q951 HydrophobicContact CD2-CG 4.48Å; Y947-Q951 HydrophobicContact CE1-CG 3.53Å; Y947-Q951 HydrophobicContact CE2-CG 3.88Å; Y947-Q951 WeakPolarHBondContact O-CG 3.4Å; Y947-Q951 PolarHBondContact O-N 3.45Å; Y947-Q951 WeakPolarHBondContact OH-CG 3.17Å; Y947-Q951 PolarHBondContact OH-NE2 2.95Å; Y947-Q951 PolarHBondContact OH-OE1 2.99Å
948	F	91.8	Very high	90.1	Very high	126 Å²	126	61.5 Å²	61.5	55%	0.553	29%	0.285	S	S	*	.	H	α-helix	trans	-61.2	-39.4	178.2	-176.2	-104.6	0	0	0	112.6	F944 K945 T946 Q951 L952	F944-F948 WeakPolarHBondContact O-CB 3.27Å; F944-F948 PolarHBondContact O-N 3.08Å; K945-F948 PolarHBondContact O-N 3.32Å; T946-F948 PolarHBondContact O-N 3.04Å; F948-Q951 PolarHBondContact O-N 3.48Å; F948-L952 HydrophobicContact CD1-CD1 3.96Å; F948-L952 HydrophobicContact CD1-CG 4.35Å; F948-L952 HydrophobicContact CE1-CD1 3.52Å; F948-L952 HydrophobicContact CE1-CD2 4.42Å; F948-L952 HydrophobicContact CE1-CG 4.01Å; F948-L952 HydrophobicContact CZ-CD1 4.1Å; F948-L952 HydrophobicContact CZ-CD2 4.16Å; F948-L952 HydrophobicContact CZ-CG 4.18Å; F948-L952 WeakPolarHBondContact O-CG 3.37Å; F948-L952 PolarHBondContact O-N 2.95Å
949	I	91.5	Very high	90.6	Very high	81 Å²	81	56.2 Å²	56.2	42%	0.415	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-46.3	174.5	-66.6	165	0	0	0	110.5	K945 T946 Y947 Q951 L952 I953	K945-I949 HydrophobicContact CG-CD1 4.22Å; K945-I949 WeakPolarHBondContact O-CG1 3.09Å; K945-I949 PolarHBondContact O-N 2.7Å; T946-I949 PolarHBondContact O-N 2.85Å; Y947-I949 VanDerWaalsContact C-N 3.32Å; Y947-I949 PolarHBondContact O-N 3.16Å; I949-Q951 VanDerWaalsContact C-N 3.33Å; I949-Q951 PolarHBondContact O-N 3.38Å; I949-L952 PolarHBondContact O-N 2.58Å; I949-I953 HydrophobicContact CG2-CD1 4.06Å; I949-I953 WeakPolarHBondContact O-CG1 3.44Å; I949-I953 PolarHBondContact O-N 3.09Å
950	W	91.9	Very high	91.3	Very high	41 Å²	41	57.1 Å²	57.1	16%	0.155	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-36	176.1	-82.2	98.2	0	0	0	112.8	L867 F868 H871 T946 Y947 I953 S954 M991	L867-W950 HydrophobicContact CD2-CG 4.34Å; F868-W950 HydrophobicContact CD2-CH2 4.47Å; F868-W950 HydrophobicContact CE1-CH2 4.04Å; F868-W950 HydrophobicContact CE1-CZ3 4.3Å; F868-W950 AromaticContact CE2-CH2 3.95Å; F868-W950 HydrophobicContact CE2-CH2 3.95Å; F868-W950 HydrophobicContact CE2-CZ2 4.44Å; F868-W950 AromaticContact CZ-CH2 3.7Å; F868-W950 HydrophobicContact CZ-CH2 3.7Å; F868-W950 HydrophobicContact CZ-CZ3 4.41Å; H871-W950 HydrophobicContact CB-CE3 4Å; H871-W950 HydrophobicContact CB-CZ3 4.37Å; H871-W950 AromaticContact CG-CE3 3.9Å; T946-W950 VanDerWaalsContact O-CD1 3.25Å; T946-W950 PolarHBondContact O-N 3.37Å; Y947-W950 PolarHBondContact O-N 3.04Å; Y947-W950 VanDerWaalsContact O-N 3.17Å; W950-I953 PolarHBondContact O-N 3.42Å; W950-S954 PolarHBondContact O-N 2.97Å; W950-S954 PolarHBondContact O-OG 2.62Å; W950-M991 HydrophobicContact CH2-CE 4.4Å; W950-M991 HydrophobicContact CZ3-CE 4.16Å
951	Q	92.3	Very high	91.8	Very high	24 Å²	24	50.3 Å²	50.3	11%	0.112	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-42.6	173.2	-72.3	-59.5	102.1	0	0	111.9	S874 Y947 F948 I949 I953 S954 V955	S874-Q951 PolarHBondContact OG-NE2 2.91Å; S874-Q951 VanDerWaalsContact OG-NE2 3.08Å; S874-Q951 PolarHBondContact OG-OE1 3.12Å; Y947-Q951 HydrophobicContact CD1-CG 4.15Å; Y947-Q951 HydrophobicContact CD2-CG 4.48Å; Y947-Q951 HydrophobicContact CE1-CG 3.53Å; Y947-Q951 HydrophobicContact CE2-CG 3.88Å; Y947-Q951 WeakPolarHBondContact O-CG 3.4Å; Y947-Q951 PolarHBondContact O-N 3.45Å; Y947-Q951 WeakPolarHBondContact OH-CG 3.17Å; Y947-Q951 PolarHBondContact OH-NE2 2.95Å; Y947-Q951 PolarHBondContact OH-OE1 2.99Å; F948-Q951 PolarHBondContact O-N 3.48Å; I949-Q951 VanDerWaalsContact C-N 3.33Å; I949-Q951 PolarHBondContact O-N 3.38Å; Q951-I953 VanDerWaalsContact C-N 3.33Å; Q951-I953 PolarHBondContact O-N 2.87Å; Q951-S954 WeakPolarHBondContact O-CB 3.44Å; Q951-S954 PolarHBondContact O-N 3.44Å; Q951-V955 WeakPolarHBondContact O-CG2 3.43Å; Q951-V955 PolarHBondContact O-N 3.15Å
952	L	93.8	Very high	92.4	Very high	95 Å²	95	46.8 Å²	46.8	50%	0.497	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-41.2	175	-70.5	176.6	0	0	0	112	F948 I949 S954 V955 Y956	F948-L952 HydrophobicContact CD1-CD1 3.96Å; F948-L952 HydrophobicContact CD1-CG 4.35Å; F948-L952 HydrophobicContact CE1-CD1 3.52Å; F948-L952 HydrophobicContact CE1-CD2 4.42Å; F948-L952 HydrophobicContact CE1-CG 4.01Å; F948-L952 HydrophobicContact CZ-CD1 4.1Å; F948-L952 HydrophobicContact CZ-CD2 4.16Å; F948-L952 HydrophobicContact CZ-CG 4.18Å; F948-L952 WeakPolarHBondContact O-CG 3.37Å; F948-L952 PolarHBondContact O-N 2.95Å; I949-L952 PolarHBondContact O-N 2.58Å; L952-S954 VanDerWaalsContact C-N 3.33Å; L952-S954 PolarHBondContact O-N 3.08Å; L952-V955 PolarHBondContact O-N 3.41Å; L952-Y956 WeakPolarHBondContact O-CB 3.36Å; L952-Y956 PolarHBondContact O-N 2.87Å
953	I	93.6	Very high	92.9	Very high	35 Å²	35	52.1 Å²	52.1	18%	0.179	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-44.9	173.8	-69.2	166.2	0	0	0	110.5	I949 W950 Q951 V955 Y956 Q957 M991 I1050	I949-I953 HydrophobicContact CG2-CD1 4.06Å; I949-I953 WeakPolarHBondContact O-CG1 3.44Å; I949-I953 PolarHBondContact O-N 3.09Å; W950-I953 PolarHBondContact O-N 3.42Å; Q951-I953 VanDerWaalsContact C-N 3.33Å; Q951-I953 PolarHBondContact O-N 2.87Å; I953-V955 PolarHBondContact O-N 2.8Å; I953-Y956 PolarHBondContact O-N 2.91Å; I953-Q957 HydrophobicContact CG2-CG 4.37Å; I953-Q957 WeakPolarHBondContact O-CG 3.39Å; I953-Q957 PolarHBondContact O-N 3.06Å; I953-M991 HydrophobicContact CG2-CE 4.48Å; I953-I1050 HydrophobicContact CG2-CD1 3.63Å; I953-I1050 HydrophobicContact CG2-CG1 4.46Å
954	S	94.9	Very high	93.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.1	-43.2	178.2	-48.2	0	0	0	0	112.1	H871 W950 Q951 L952 G958	H871-S954 PolarHBondContact ND1-OG 3.43Å; W950-S954 PolarHBondContact O-N 2.97Å; W950-S954 PolarHBondContact O-OG 2.62Å; Q951-S954 WeakPolarHBondContact O-CB 3.44Å; Q951-S954 PolarHBondContact O-N 3.44Å; L952-S954 VanDerWaalsContact C-N 3.33Å; L952-S954 PolarHBondContact O-N 3.08Å; S954-G958 PolarHBondContact O-N 3.41Å
955	V	95.3	Very high	93.4	Very high	68 Å²	68	44.6 Å²	44.6	41%	0.412	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-44.5	176.5	172.2	0	0	0	0	110.7	V878 Q951 L952 I953 S959	V878-V955 HydrophobicContact CG2-CB 4.37Å; V878-V955 HydrophobicContact CG2-CG2 3.85Å; Q951-V955 WeakPolarHBondContact O-CG2 3.43Å; Q951-V955 PolarHBondContact O-N 3.15Å; L952-V955 PolarHBondContact O-N 3.41Å; I953-V955 PolarHBondContact O-N 2.8Å; V955-S959 VanDerWaalsContact O-CB 3.26Å; V955-S959 WeakPolarHBondContact O-CB 3.4Å; V955-S959 PolarHBondContact O-N 2.97Å; V955-S959 PolarHBondContact O-OG 2.82Å
956	Y	96.3	Very high	93.4	Very high	86 Å²	86	39.3 Å²	39.3	34%	0.337	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-54.6	177.4	172.7	-103.9	0	0	0	111.6	L952 I953 S959 V960 V1045 P1049 I1050	L952-Y956 WeakPolarHBondContact O-CB 3.36Å; L952-Y956 PolarHBondContact O-N 2.87Å; I953-Y956 PolarHBondContact O-N 2.91Å; Y956-S959 PolarHBondContact O-N 3.46Å; Y956-V960 HydrophobicContact CD1-CG2 4.5Å; Y956-V960 HydrophobicContact CD2-CG2 4.14Å; Y956-V960 HydrophobicContact CE1-CG2 4.09Å; Y956-V960 HydrophobicContact CE2-CG2 3.68Å; Y956-V960 WeakPolarHBondContact O-CG2 3.42Å; Y956-V960 PolarHBondContact O-N 3.23Å; Y956-V1045 PolarHBondContact OH-O 2.97Å; Y956-V1045 VanDerWaalsContact OH-O 3.11Å; Y956-P1049 WeakPolarHBondContact OH-CG 3.37Å; Y956-I1050 HydrophobicContact CD1-CD1 4.2Å; Y956-I1050 HydrophobicContact CD1-CG1 4.45Å; Y956-I1050 HydrophobicContact CE1-CD1 4.47Å
957	Q	95.7	Very high	93.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-44	-177.6	-68.3	-172.4	-47.9	0	0	112.1	H871 I875 I953 S959 V960 I961 S1046 I1050	H871-Q957 PolarHBondContact CE1-OE1 2.78Å; H871-Q957 PolarHBondContact NE2-OE1 2.8Å; I875-Q957 HydrophobicContact CD1-CB 4.42Å; I875-Q957 HydrophobicContact CG1-CB 4.47Å; I953-Q957 HydrophobicContact CG2-CG 4.37Å; I953-Q957 WeakPolarHBondContact O-CG 3.39Å; I953-Q957 PolarHBondContact O-N 3.06Å; Q957-S959 VanDerWaalsContact C-N 3.27Å; Q957-S959 PolarHBondContact O-N 2.86Å; Q957-V960 PolarHBondContact O-N 3.45Å; Q957-I961 WeakPolarHBondContact O-CB 3.21Å; Q957-I961 WeakPolarHBondContact O-CD1 3.17Å; Q957-I961 VanDerWaalsContact O-CG1 3.22Å; Q957-I961 WeakPolarHBondContact O-CG1 3.44Å; Q957-I961 PolarHBondContact O-N 3.22Å; Q957-S1046 WeakPolarHBondContact CB-OG 3.39Å; Q957-S1046 VanDerWaalsContact CG-OG 3.3Å; Q957-S1046 WeakPolarHBondContact CG-OG 3.36Å; Q957-S1046 PolarHBondContact NE2-O 3.2Å; Q957-I1050 VanDerWaalsContact CD-CD1 3.49Å; Q957-I1050 HydrophobicContact CG-CD1 3.61Å
958	G	96	Very high	93.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-36.7	175.4	0	0	0	0	0	113	M879 S954 M962	M879-G958 WeakPolarHBondContact CG-O 3.03Å; S954-G958 PolarHBondContact O-N 3.41Å; G958-M962 WeakPolarHBondContact O-CB 3.12Å; G958-M962 PolarHBondContact O-N 3.49Å; G958-M962 VanDerWaalsContact O-N 3.13Å
959	S	95.9	Very high	93.4	Very high	30 Å²	30	40.9 Å²	40.9	21%	0.21	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-46.3	175.3	-55.8	0	0	0	0	112.1	V955 Y956 Q957 I961 M962 Y963	V955-S959 VanDerWaalsContact O-CB 3.26Å; V955-S959 WeakPolarHBondContact O-CB 3.4Å; V955-S959 PolarHBondContact O-N 2.97Å; V955-S959 PolarHBondContact O-OG 2.82Å; Y956-S959 PolarHBondContact O-N 3.46Å; Q957-S959 VanDerWaalsContact C-N 3.27Å; Q957-S959 PolarHBondContact O-N 2.86Å; S959-I961 VanDerWaalsContact C-N 3.32Å; S959-I961 PolarHBondContact O-N 2.8Å; S959-M962 PolarHBondContact O-N 2.67Å; S959-Y963 WeakPolarHBondContact O-CB 3.16Å; S959-Y963 VanDerWaalsContact O-CD2 3.29Å; S959-Y963 WeakPolarHBondContact O-CD2 3.49Å; S959-Y963 PolarHBondContact O-N 2.83Å
960	V	95.9	Very high	92.9	Very high	24 Å²	24	43.5 Å²	43.5	15%	0.145	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-43.3	177.6	169.7	0	0	0	0	111.1	Y956 Q957 G964 V1045	Y956-V960 HydrophobicContact CD1-CG2 4.5Å; Y956-V960 HydrophobicContact CD2-CG2 4.14Å; Y956-V960 HydrophobicContact CE1-CG2 4.09Å; Y956-V960 HydrophobicContact CE2-CG2 3.68Å; Y956-V960 WeakPolarHBondContact O-CG2 3.42Å; Y956-V960 PolarHBondContact O-N 3.23Å; Q957-V960 PolarHBondContact O-N 3.45Å; V960-G964 VanDerWaalsContact O-CA 3.26Å; V960-G964 WeakPolarHBondContact O-CA 3.14Å; V960-G964 PolarHBondContact O-N 3.01Å; V960-V1045 HydrophobicContact CG1-CB 4.06Å; V960-V1045 HydrophobicContact CG1-CG1 3.77Å; V960-V1045 HydrophobicContact CG2-CG1 4.49Å
961	I	95.5	Very high	92.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-46.5	179	-66.6	163.2	0	0	0	110.6	I875 M879 Q957 S959 A965 T980 A983 L984 T987 I1042	I875-I961 HydrophobicContact CG2-CD1 4.31Å; M879-I961 HydrophobicContact CE-CG2 3.63Å; M879-I961 HydrophobicContact SD-CB 4.45Å; M879-I961 HydrophobicContact SD-CD1 4.48Å; M879-I961 HydrophobicContact SD-CG2 4.1Å; Q957-I961 WeakPolarHBondContact O-CB 3.21Å; Q957-I961 WeakPolarHBondContact O-CD1 3.17Å; Q957-I961 VanDerWaalsContact O-CG1 3.22Å; Q957-I961 WeakPolarHBondContact O-CG1 3.44Å; Q957-I961 PolarHBondContact O-N 3.22Å; S959-I961 VanDerWaalsContact C-N 3.32Å; S959-I961 PolarHBondContact O-N 2.8Å; I961-A965 VanDerWaalsContact O-CB 3.3Å; I961-A965 WeakPolarHBondContact O-CB 3.44Å; I961-A965 PolarHBondContact O-N 3.11Å; I961-T980 HydrophobicContact CG2-CG2 4.38Å; I961-A983 HydrophobicContact CG2-CB 4.09Å; I961-L984 HydrophobicContact CD1-CD1 4.3Å; I961-T987 HydrophobicContact CD1-CG2 4.46Å; I961-I1042 HydrophobicContact CB-CG2 4.39Å; I961-I1042 HydrophobicContact CG1-CG2 4.2Å
962	M	94.3	Very high	91.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-74.3	-48.3	-175.6	-169.8	62.4	-152	0	0	112.8	I882 F883 G958 S959 A965 L966 F973 V976 T980	I882-M962 HydrophobicContact CB-CB 4.3Å; I882-M962 HydrophobicContact CB-CG 3.86Å; I882-M962 HydrophobicContact CD1-CB 4.27Å; I882-M962 HydrophobicContact CG2-CB 4.07Å; I882-M962 HydrophobicContact CG2-CG 3.48Å; I882-M962 VanDerWaalsContact CG2-CG 3.48Å; F883-M962 HydrophobicContact CB-CE 4.07Å; F883-M962 HydrophobicContact CB-SD 4.33Å; F883-M962 HydrophobicContact CD2-CE 3.88Å; F883-M962 HydrophobicContact CG-CE 4.49Å; G958-M962 WeakPolarHBondContact O-CB 3.12Å; G958-M962 PolarHBondContact O-N 3.49Å; G958-M962 VanDerWaalsContact O-N 3.13Å; S959-M962 PolarHBondContact O-N 2.67Å; M962-A965 PolarHBondContact O-N 2.89Å; M962-L966 HydrophobicContact CE-CD1 4.15Å; M962-L966 HydrophobicContact CE-CD2 4.46Å; M962-L966 HydrophobicContact CE-CG 4.16Å; M962-L966 WeakPolarHBondContact O-CG 3.1Å; M962-L966 PolarHBondContact O-N 2.93Å; M962-L966 VanDerWaalsContact O-N 3.07Å; M962-F973 HydrophobicContact CE-CE2 4.37Å; M962-F973 HydrophobicContact CE-CZ 4.28Å; M962-V976 HydrophobicContact CE-CG2 4.49Å; M962-T980 HydrophobicContact SD-CG2 4.29Å
963	Y	93.8	Very high	91.1	Very high	122 Å²	122	48.9 Å²	48.9	48%	0.478	25%	0.246	S	C	.	.	H	α-helix	trans	-69.1	-36	176.7	-73.8	-65	0	0	0	112.2	I882 S959 A965 L966 L967	I882-Y963 HydrophobicContact CD1-CD2 4.3Å; I882-Y963 HydrophobicContact CD1-CE2 3.9Å; I882-Y963 HydrophobicContact CG1-CE2 4.41Å; I882-Y963 HydrophobicContact CG2-CE1 4.17Å; I882-Y963 HydrophobicContact CG2-CE2 4.11Å; S959-Y963 WeakPolarHBondContact O-CB 3.16Å; S959-Y963 VanDerWaalsContact O-CD2 3.29Å; S959-Y963 WeakPolarHBondContact O-CD2 3.49Å; S959-Y963 PolarHBondContact O-N 2.83Å; Y963-A965 VanDerWaalsContact C-N 3.31Å; Y963-A965 PolarHBondContact O-N 2.96Å; Y963-L966 HydrophobicContact CD1-CD1 4.18Å; Y963-L966 PolarHBondContact O-N 3.04Å; Y963-L967 WeakPolarHBondContact O-CB 3.47Å; Y963-L967 WeakPolarHBondContact O-CG 3.27Å; Y963-L967 PolarHBondContact O-N 2.99Å
964	G	92.9	Very high	90.5	Very high	15 Å²	15	54.7 Å²	54.7	16%	0.155	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-38.7	174.1	0	0	0	0	0	112.2	V960 L968	V960-G964 VanDerWaalsContact O-CA 3.26Å; V960-G964 WeakPolarHBondContact O-CA 3.14Å; V960-G964 PolarHBondContact O-N 3.01Å; G964-L968 WeakPolarHBondContact O-CB 3.37Å; G964-L968 PolarHBondContact O-N 3.46Å
965	A	92.2	Very high	90	Very high	1 Å²	1	57 Å²	57	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-40.1	173.2	0	0	0	0	0	112.3	I961 M962 Y963 F969 I979 T980	I961-A965 VanDerWaalsContact O-CB 3.3Å; I961-A965 WeakPolarHBondContact O-CB 3.44Å; I961-A965 PolarHBondContact O-N 3.11Å; M962-A965 PolarHBondContact O-N 2.89Å; Y963-A965 VanDerWaalsContact C-N 3.31Å; Y963-A965 PolarHBondContact O-N 2.96Å; A965-F969 WeakPolarHBondContact O-CB 3.48Å; A965-F969 PolarHBondContact O-N 3.14Å; A965-I979 HydrophobicContact CB-CG2 3.99Å; A965-T980 HydrophobicContact CB-CG2 3.41Å; A965-T980 VanDerWaalsContact CB-CG2 3.41Å
966	L	90.6	Very high	89.7	Confident	39 Å²	39	54.4 Å²	54.4	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-46.3	175.6	-74.4	163.9	0	0	0	111.9	V886 M962 Y963 E970 F973	V886-L966 HydrophobicContact CG1-CD1 4.47Å; V886-L966 HydrophobicContact CG1-CD2 4.38Å; V886-L966 HydrophobicContact CG2-CD1 4Å; M962-L966 HydrophobicContact CE-CD1 4.15Å; M962-L966 HydrophobicContact CE-CD2 4.46Å; M962-L966 HydrophobicContact CE-CG 4.16Å; M962-L966 WeakPolarHBondContact O-CG 3.1Å; M962-L966 PolarHBondContact O-N 2.93Å; M962-L966 VanDerWaalsContact O-N 3.07Å; Y963-L966 HydrophobicContact CD1-CD1 4.18Å; Y963-L966 PolarHBondContact O-N 3.04Å; L966-E970 WeakPolarHBondContact O-CG 3.48Å; L966-F973 HydrophobicContact CD2-CD2 3.9Å; L966-F973 HydrophobicContact CD2-CE2 3.31Å; L966-F973 HydrophobicContact CD2-CZ 3.95Å; L966-F973 HydrophobicContact CG-CE2 4.09Å
967	L	90.3	Very high	89.4	Confident	122 Å²	122	51.8 Å²	51.8	64%	0.639	26%	0.264	S	S	*	.	H	α-helix	trans	-76.9	-39.3	-174.6	-68.4	170.7	0	0	0	114	Y963	Y963-L967 WeakPolarHBondContact O-CB 3.47Å; Y963-L967 WeakPolarHBondContact O-CG 3.27Å; Y963-L967 PolarHBondContact O-N 2.99Å
968	L	89.6	Confident	89.1	Confident	73 Å²	73	51.9 Å²	51.9	38%	0.382	27%	0.265	S	S	.	.	H	α-helix	trans	-86.8	-17	-175	-68.4	171.9	0	0	0	113.3	G964 K1038 I1042	G964-L968 WeakPolarHBondContact O-CB 3.37Å; G964-L968 PolarHBondContact O-N 3.46Å; L968-K1038 HydrophobicContact CB-CB 4.5Å; L968-K1038 HydrophobicContact CB-CD 4.34Å; L968-K1038 HydrophobicContact CB-CG 4.41Å; L968-K1038 WeakPolarHBondContact O-CD 3.28Å; L968-K1038 VanDerWaalsContact O-CE 3.22Å; L968-K1038 WeakPolarHBondContact O-CE 3.48Å; L968-K1038 PolarHBondContact O-NZ 3.21Å; L968-I1042 HydrophobicContact CD1-CD1 4.16Å; L968-I1042 HydrophobicContact CD1-CG1 3.69Å
969	F	88.2	Confident	88.8	Confident	2 Å²	2	52 Å²	52	1%	0.009	27%	0.265	C	S	.	.			trans	-129.8	37.7	-175.2	-63.4	-92.4	0	0	0	112.5	A965 D971 E972 F973 I979 F1029 F1035 K1038 V1039 I1042	A965-F969 WeakPolarHBondContact O-CB 3.48Å; A965-F969 PolarHBondContact O-N 3.14Å; F969-D971 VanDerWaalsContact C-N 3.32Å; F969-D971 PolarHBondContact O-N 2.68Å; F969-E972 HydrophobicContact CB-CB 4.43Å; F969-E972 HydrophobicContact CD1-CB 4.28Å; F969-E972 VanDerWaalsContact CD1-OE2 3.32Å; F969-E972 WeakPolarHBondContact CD1-OE2 3.19Å; F969-E972 CarbonylContact O-C 3.55Å; F969-E972 PolarHBondContact O-N 3.22Å; F969-E972 VanDerWaalsContact O-N 3.11Å; F969-F973 PolarHBondContact O-N 2.89Å; F969-I979 HydrophobicContact CB-CD1 3.67Å; F969-I979 HydrophobicContact CD1-CD1 3.47Å; F969-I979 VanDerWaalsContact CD1-CD1 3.47Å; F969-I979 HydrophobicContact CD1-CG1 4.1Å; F969-I979 HydrophobicContact CD2-CD1 3.85Å; F969-I979 HydrophobicContact CD2-CG1 4.26Å; F969-I979 HydrophobicContact CD2-CG2 3.61Å; F969-I979 HydrophobicContact CE1-CD1 3.9Å; F969-I979 HydrophobicContact CE1-CG1 4.01Å; F969-I979 HydrophobicContact CE2-CB 4.41Å; F969-I979 HydrophobicContact CE2-CD1 4.24Å; F969-I979 HydrophobicContact CE2-CG1 4.15Å; F969-I979 HydrophobicContact CE2-CG2 3.38Å; F969-I979 HydrophobicContact CG-CD1 3.41Å; F969-I979 VanDerWaalsContact CG-CD1 3.41Å; F969-I979 HydrophobicContact CG-CG1 4.2Å; F969-I979 HydrophobicContact CG-CG2 4.35Å; F969-I979 HydrophobicContact CZ-CD1 4.23Å; F969-I979 HydrophobicContact CZ-CG1 4Å; F969-I979 HydrophobicContact CZ-CG2 3.97Å; F969-F1029 AromaticContact CD1-CZ 3.95Å; F969-F1029 HydrophobicContact CD1-CZ 3.95Å; F969-F1029 HydrophobicContact CE1-CE2 4.45Å; F969-F1029 AromaticContact CE1-CZ 3.75Å; F969-F1029 HydrophobicContact CE1-CZ 3.75Å; F969-F1035 HydrophobicContact CE1-CD2 4.48Å; F969-F1035 HydrophobicContact CZ-CD2 4.46Å; F969-K1038 HydrophobicContact CD1-CD 3.86Å; F969-K1038 HydrophobicContact CD2-CB 4.44Å; F969-K1038 HydrophobicContact CD2-CD 4.25Å; F969-K1038 HydrophobicContact CE1-CB 4.1Å; F969-K1038 HydrophobicContact CE1-CD 3.48Å; F969-K1038 VanDerWaalsContact CE1-CD 3.48Å; F969-K1038 HydrophobicContact CE1-CG 4.46Å; F969-K1038 HydrophobicContact CE2-CB 3.46Å; F969-K1038 VanDerWaalsContact CE2-CB 3.46Å; F969-K1038 HydrophobicContact CE2-CD 3.9Å; F969-K1038 HydrophobicContact CE2-CG 4.32Å; F969-K1038 HydrophobicContact CG-CD 4.25Å; F969-K1038 HydrophobicContact CZ-CB 3.27Å; F969-K1038 HydrophobicContact CZ-CD 3.53Å; F969-K1038 HydrophobicContact CZ-CG 4.07Å; F969-V1039 HydrophobicContact CZ-CG2 4.16Å; F969-I1042 HydrophobicContact CD2-CD1 4.43Å; F969-I1042 HydrophobicContact CE2-CD1 4.02Å
970	E	81.4	Confident	88.7	Confident	137 Å²	137	50.5 Å²	50.5	64%	0.64	26%	0.255	S	S	*	.	S	Bend	trans	-51.7	-48.8	178.2	-69.4	-174.6	173.2	0	0	112.1	L966 E972	L966-E970 WeakPolarHBondContact O-CG 3.48Å; E970-E972 VanDerWaalsContact C-N 3.32Å; E970-E972 PolarHBondContact O-N 3.44Å
971	D	80.1	Confident	88.6	Confident	162 Å²	162	49.4 Å²	49.4	87%	0.866	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-21.9	-179.1	-59.2	-44.8	0	0	0	113.8	F969	F969-D971 VanDerWaalsContact C-N 3.32Å; F969-D971 PolarHBondContact O-N 2.68Å
972	E	80.8	Confident	88.5	Confident	64 Å²	64	49.9 Å²	49.9	30%	0.299	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	17.7	-170.8	-64.1	171.3	147.3	0	0	112	F969 E970 I974 H975 F1029 K1038	F969-E972 HydrophobicContact CB-CB 4.43Å; F969-E972 HydrophobicContact CD1-CB 4.28Å; F969-E972 VanDerWaalsContact CD1-OE2 3.32Å; F969-E972 WeakPolarHBondContact CD1-OE2 3.19Å; F969-E972 CarbonylContact O-C 3.55Å; F969-E972 PolarHBondContact O-N 3.22Å; F969-E972 VanDerWaalsContact O-N 3.11Å; E970-E972 VanDerWaalsContact C-N 3.32Å; E970-E972 PolarHBondContact O-N 3.44Å; E972-I974 PolarHBondContact O-N 3.21Å; E972-H975 PolarHBondContact O-N 3.3Å; E972-F1029 HydrophobicContact CB-CE2 4.13Å; E972-F1029 HydrophobicContact CB-CZ 4.27Å; E972-F1029 VanDerWaalsContact CD-CE2 3.42Å; E972-F1029 HydrophobicContact CG-CE2 4.16Å; E972-F1029 WeakPolarHBondContact OE2-CE2 3.48Å; E972-K1038 IonicContact OE2-NZ 3.56Å
973	F	80.4	Confident	88.5	Confident	46 Å²	46	49.9 Å²	49.9	20%	0.202	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-60.8	-17.6	-172.8	-168.9	-92.9	0	0	0	113.7	F887 M962 L966 F969 H975 V976	F887-F973 HydrophobicContact CE1-CE1 4.44Å; F887-F973 AromaticContact CE2-CE1 3.78Å; F887-F973 HydrophobicContact CE2-CE1 3.78Å; F887-F973 AromaticContact CE2-CZ 3.75Å; F887-F973 HydrophobicContact CE2-CZ 3.75Å; F887-F973 HydrophobicContact CZ-CD1 4.23Å; F887-F973 AromaticContact CZ-CE1 3.32Å; F887-F973 HydrophobicContact CZ-CE1 3.32Å; F887-F973 AromaticContact CZ-CZ 3.73Å; F887-F973 HydrophobicContact CZ-CZ 3.73Å; M962-F973 HydrophobicContact CE-CE2 4.37Å; M962-F973 HydrophobicContact CE-CZ 4.28Å; L966-F973 HydrophobicContact CD2-CD2 3.9Å; L966-F973 HydrophobicContact CD2-CE2 3.31Å; L966-F973 HydrophobicContact CD2-CZ 3.95Å; L966-F973 HydrophobicContact CG-CE2 4.09Å; F969-F973 PolarHBondContact O-N 2.89Å; F973-H975 PolarHBondContact O-N 2.82Å; F973-H975 VanDerWaalsContact O-N 3.11Å; F973-V976 HydrophobicContact CD1-CB 4.33Å; F973-V976 HydrophobicContact CD1-CG1 4.42Å; F973-V976 HydrophobicContact CD2-CB 4.12Å; F973-V976 HydrophobicContact CD2-CG2 4.25Å; F973-V976 HydrophobicContact CE1-CB 4.01Å; F973-V976 HydrophobicContact CE1-CG1 3.91Å; F973-V976 HydrophobicContact CE1-CG2 4.29Å; F973-V976 HydrophobicContact CE2-CB 3.82Å; F973-V976 HydrophobicContact CE2-CG2 3.53Å; F973-V976 HydrophobicContact CG-CB 4.37Å; F973-V976 HydrophobicContact CZ-CB 3.77Å; F973-V976 HydrophobicContact CZ-CG1 4.02Å; F973-V976 HydrophobicContact CZ-CG2 3.57Å; F973-V976 WeakPolarHBondContact O-CB 3.43Å; F973-V976 WeakPolarHBondContact O-CG1 3.49Å; F973-V976 PolarHBondContact O-N 2.84Å
974	I	80.6	Confident	88.5	Confident	157 Å²	157	44.1 Å²	44.1	81%	0.805	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-53.1	-32	170.4	-60.6	171.4	0	0	0	111.1	E972	E972-I974 PolarHBondContact O-N 3.21Å
975	H	85.2	Confident	88.6	Confident	50 Å²	50	43.4 Å²	43.4	23%	0.231	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-92.9	18.8	177.7	-56.3	-60.8	0	0	0	114	E972 F973 V977 A978 I979 D1026 F1029	E972-H975 PolarHBondContact O-N 3.3Å; F973-H975 PolarHBondContact O-N 2.82Å; F973-H975 VanDerWaalsContact O-N 3.11Å; H975-V977 PolarHBondContact O-N 2.88Å; H975-V977 VanDerWaalsContact O-N 3.09Å; H975-A978 WeakPolarHBondContact O-CB 3.46Å; H975-A978 PolarHBondContact O-N 3.4Å; H975-I979 HydrophobicContact CB-CD1 4.3Å; H975-I979 PolarHBondContact O-N 3.28Å; H975-I979 VanDerWaalsContact O-N 3.13Å; H975-D1026 IonicContact CE1-OD2 3.73Å; H975-D1026 IonicContact NE2-OD2 2.77Å; H975-F1029 HydrophobicContact CB-CD1 3.71Å; H975-F1029 HydrophobicContact CB-CE1 3.48Å; H975-F1029 VanDerWaalsContact CB-CE1 3.48Å; H975-F1029 HydrophobicContact CB-CZ 4.19Å; H975-F1029 AromaticContact CD2-CD1 3.71Å; H975-F1029 AromaticContact CD2-CD2 3.96Å; H975-F1029 AromaticContact CD2-CE1 4Å; H975-F1029 AromaticContact CD2-CG 3.68Å; H975-F1029 AromaticContact CG-CD1 3.66Å; H975-F1029 AromaticContact CG-CE1 3.9Å
976	V	88.2	Confident	88.7	Confident	13 Å²	13	45.4 Å²	45.4	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-50.4	-38.6	-178.2	62.2	0	0	0	0	113	L894 M962 F973 A978 I979 T980	L894-V976 HydrophobicContact CD1-CG2 4.49Å; M962-V976 HydrophobicContact CE-CG2 4.49Å; F973-V976 HydrophobicContact CD1-CB 4.33Å; F973-V976 HydrophobicContact CD1-CG1 4.42Å; F973-V976 HydrophobicContact CD2-CB 4.12Å; F973-V976 HydrophobicContact CD2-CG2 4.25Å; F973-V976 HydrophobicContact CE1-CB 4.01Å; F973-V976 HydrophobicContact CE1-CG1 3.91Å; F973-V976 HydrophobicContact CE1-CG2 4.29Å; F973-V976 HydrophobicContact CE2-CB 3.82Å; F973-V976 HydrophobicContact CE2-CG2 3.53Å; F973-V976 HydrophobicContact CG-CB 4.37Å; F973-V976 HydrophobicContact CZ-CB 3.77Å; F973-V976 HydrophobicContact CZ-CG1 4.02Å; F973-V976 HydrophobicContact CZ-CG2 3.57Å; F973-V976 WeakPolarHBondContact O-CB 3.43Å; F973-V976 WeakPolarHBondContact O-CG1 3.49Å; F973-V976 PolarHBondContact O-N 2.84Å; V976-A978 PolarHBondContact O-N 2.89Å; V976-I979 PolarHBondContact O-N 2.83Å; V976-T980 HydrophobicContact CG2-CG2 3.85Å; V976-T980 WeakPolarHBondContact O-CB 3.4Å; V976-T980 WeakPolarHBondContact O-CG2 3.48Å; V976-T980 PolarHBondContact O-N 2.89Å; V976-T980 PolarHBondContact O-OG1 2.82Å
977	V	89.6	Confident	88.9	Confident	31 Å²	31	43.5 Å²	43.5	19%	0.188	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-46.1	177.7	171.8	0	0	0	0	111	F895 L899 H975 F981	F895-V977 HydrophobicContact CD1-CG1 4.1Å; L899-V977 HydrophobicContact CD1-CG1 3.8Å; H975-V977 PolarHBondContact O-N 2.88Å; H975-V977 VanDerWaalsContact O-N 3.09Å; V977-F981 WeakPolarHBondContact O-CB 3.43Å; V977-F981 PolarHBondContact O-N 2.91Å; V977-F981 VanDerWaalsContact O-N 3.12Å
978	A	88.9	Confident	89	Confident	2 Å²	2	37.8 Å²	37.8	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-66.7	-46.5	-179.9	0	0	0	0	0	111.7	H975 V976 T982 F1025 L1030	H975-A978 WeakPolarHBondContact O-CB 3.46Å; H975-A978 PolarHBondContact O-N 3.4Å; V976-A978 PolarHBondContact O-N 2.89Å; A978-T982 VanDerWaalsContact O-CB 3.27Å; A978-T982 WeakPolarHBondContact O-CB 3.47Å; A978-T982 PolarHBondContact O-N 2.63Å; A978-T982 PolarHBondContact O-OG1 2.81Å; A978-F1025 HydrophobicContact CB-CD1 3.68Å; A978-F1025 HydrophobicContact CB-CE1 4.12Å; A978-L1030 HydrophobicContact CB-CD2 4.26Å
979	I	91	Very high	89.2	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-57.4	-177.4	-63.7	156.5	0	0	0	110.5	A965 F969 H975 V976 F981 T982 A983 F1029 F1035 V1039 I1042	A965-I979 HydrophobicContact CB-CG2 3.99Å; F969-I979 HydrophobicContact CB-CD1 3.67Å; F969-I979 HydrophobicContact CD1-CD1 3.47Å; F969-I979 VanDerWaalsContact CD1-CD1 3.47Å; F969-I979 HydrophobicContact CD1-CG1 4.1Å; F969-I979 HydrophobicContact CD2-CD1 3.85Å; F969-I979 HydrophobicContact CD2-CG1 4.26Å; F969-I979 HydrophobicContact CD2-CG2 3.61Å; F969-I979 HydrophobicContact CE1-CD1 3.9Å; F969-I979 HydrophobicContact CE1-CG1 4.01Å; F969-I979 HydrophobicContact CE2-CB 4.41Å; F969-I979 HydrophobicContact CE2-CD1 4.24Å; F969-I979 HydrophobicContact CE2-CG1 4.15Å; F969-I979 HydrophobicContact CE2-CG2 3.38Å; F969-I979 HydrophobicContact CG-CD1 3.41Å; F969-I979 VanDerWaalsContact CG-CD1 3.41Å; F969-I979 HydrophobicContact CG-CG1 4.2Å; F969-I979 HydrophobicContact CG-CG2 4.35Å; F969-I979 HydrophobicContact CZ-CD1 4.23Å; F969-I979 HydrophobicContact CZ-CG1 4Å; F969-I979 HydrophobicContact CZ-CG2 3.97Å; H975-I979 HydrophobicContact CB-CD1 4.3Å; H975-I979 PolarHBondContact O-N 3.28Å; H975-I979 VanDerWaalsContact O-N 3.13Å; V976-I979 PolarHBondContact O-N 2.83Å; I979-F981 PolarHBondContact O-N 3.35Å; I979-T982 PolarHBondContact O-N 2.78Å; I979-A983 WeakPolarHBondContact O-CB 3.47Å; I979-A983 PolarHBondContact O-N 3.14Å; I979-F1029 HydrophobicContact CD1-CE1 4.17Å; I979-F1029 HydrophobicContact CD1-CZ 4.08Å; I979-F1029 HydrophobicContact CG1-CE1 3.96Å; I979-F1029 HydrophobicContact CG1-CZ 4.2Å; I979-F1035 HydrophobicContact CG1-CD2 4.22Å; I979-F1035 HydrophobicContact CG1-CE2 4.05Å; I979-V1039 HydrophobicContact CG2-CG2 4.25Å; I979-I1042 HydrophobicContact CG2-CD1 4.23Å
980	T	93.2	Very high	89.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-36.6	-173.9	56	0	0	0	0	112.2	M879 F895 I961 M962 A965 V976 L984	M879-T980 HydrophobicContact CE-CG2 4.45Å; F895-T980 WeakPolarHBondContact CE1-OG1 3.32Å; F895-T980 WeakPolarHBondContact CZ-OG1 3.38Å; I961-T980 HydrophobicContact CG2-CG2 4.38Å; M962-T980 HydrophobicContact SD-CG2 4.29Å; A965-T980 HydrophobicContact CB-CG2 3.41Å; A965-T980 VanDerWaalsContact CB-CG2 3.41Å; V976-T980 HydrophobicContact CG2-CG2 3.85Å; V976-T980 WeakPolarHBondContact O-CB 3.4Å; V976-T980 WeakPolarHBondContact O-CG2 3.48Å; V976-T980 PolarHBondContact O-N 2.89Å; V976-T980 PolarHBondContact O-OG1 2.82Å; T980-L984 WeakPolarHBondContact O-CB 3.46Å; T980-L984 PolarHBondContact O-N 3.23Å
981	F	94.1	Very high	89.9	Confident	1 Å²	1	31.8 Å²	31.8	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-71.2	-38.1	177.8	-165	-94.1	0	0	0	112.4	F895 L899 Y903 F907 V977 I979 L984 L985 Y1014	F895-F981 HydrophobicContact CD1-CB 4.31Å; F895-F981 HydrophobicContact CD1-CD2 4.15Å; F895-F981 HydrophobicContact CD2-CD2 4.05Å; F895-F981 HydrophobicContact CE1-CB 3.75Å; F895-F981 HydrophobicContact CE1-CD2 4.09Å; F895-F981 HydrophobicContact CE1-CG 4.43Å; F895-F981 HydrophobicContact CE2-CD2 4.03Å; F895-F981 HydrophobicContact CG-CD2 4.13Å; F895-F981 HydrophobicContact CZ-CB 4.06Å; F895-F981 HydrophobicContact CZ-CD2 4.04Å; L899-F981 HydrophobicContact CB-CD2 4.27Å; L899-F981 HydrophobicContact CB-CE2 3.74Å; L899-F981 HydrophobicContact CB-CZ 3.95Å; L899-F981 HydrophobicContact CD1-CD2 4.23Å; L899-F981 HydrophobicContact CD1-CE2 4.44Å; L899-F981 HydrophobicContact CD1-CG 4.25Å; L899-F981 HydrophobicContact CD2-CD1 4.44Å; L899-F981 HydrophobicContact CD2-CE1 3.97Å; L899-F981 HydrophobicContact CD2-CE2 4.49Å; L899-F981 HydrophobicContact CD2-CZ 3.97Å; L899-F981 HydrophobicContact CG-CE2 4.44Å; L899-F981 HydrophobicContact CG-CZ 4.4Å; Y903-F981 HydrophobicContact CD2-CE2 4.29Å; Y903-F981 HydrophobicContact CD2-CZ 4.17Å; Y903-F981 HydrophobicContact CG-CE2 4.32Å; Y903-F981 HydrophobicContact CG-CZ 4.38Å; F907-F981 AromaticContact CD2-CE1 3.88Å; F907-F981 HydrophobicContact CD2-CE1 3.88Å; F907-F981 AromaticContact CD2-CZ 3.78Å; F907-F981 HydrophobicContact CD2-CZ 3.78Å; F907-F981 AromaticContact CE2-CE1 3.97Å; F907-F981 HydrophobicContact CE2-CE1 3.97Å; F907-F981 AromaticContact CE2-CZ 3.93Å; F907-F981 HydrophobicContact CE2-CZ 3.93Å; V977-F981 WeakPolarHBondContact O-CB 3.43Å; V977-F981 PolarHBondContact O-N 2.91Å; V977-F981 VanDerWaalsContact O-N 3.12Å; I979-F981 PolarHBondContact O-N 3.35Å; F981-L984 PolarHBondContact O-N 2.82Å; F981-L985 WeakPolarHBondContact O-CB 3.43Å; F981-L985 PolarHBondContact O-N 2.93Å; F981-Y1014 AromaticContact CD1-CE2 3.53Å; F981-Y1014 HydrophobicContact CD1-CE2 3.53Å; F981-Y1014 AromaticContact CD1-CZ 3.85Å; F981-Y1014 HydrophobicContact CE1-CD2 4.16Å; F981-Y1014 AromaticContact CE1-CE2 3.49Å; F981-Y1014 HydrophobicContact CE1-CE2 3.49Å; F981-Y1014 VanDerWaalsContact CE1-CE2 3.49Å
982	T	92.9	Very high	90.5	Very high	10 Å²	10	24.1 Å²	24.1	6%	0.061	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-47.8	174	-54.6	0	0	0	0	110.3	A978 I979 L984 L985 L986 Y1014 F1035 V1039	A978-T982 VanDerWaalsContact O-CB 3.27Å; A978-T982 WeakPolarHBondContact O-CB 3.47Å; A978-T982 PolarHBondContact O-N 2.63Å; A978-T982 PolarHBondContact O-OG1 2.81Å; I979-T982 PolarHBondContact O-N 2.78Å; T982-L984 VanDerWaalsContact C-N 3.33Å; T982-L984 PolarHBondContact O-N 2.67Å; T982-L985 PolarHBondContact O-N 2.74Å; T982-L986 HydrophobicContact CG2-CD1 3.97Å; T982-L986 HydrophobicContact CG2-CG 4.41Å; T982-L986 WeakPolarHBondContact O-CG 3.41Å; T982-L986 PolarHBondContact O-N 3.46Å; T982-Y1014 WeakPolarHBondContact CA-OH 3.14Å; T982-Y1014 HydrophobicContact CG2-CE1 4.14Å; T982-Y1014 PolarHBondContact N-OH 3.46Å; T982-Y1014 PolarHBondContact OG1-OH 3.03Å; T982-F1035 HydrophobicContact CG2-CE1 4.48Å; T982-F1035 HydrophobicContact CG2-CZ 4.12Å; T982-V1039 HydrophobicContact CG2-CG1 3.81Å
983	A	94.4	Very high	91	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.6	-40.7	178.1	0	0	0	0	0	112.1	I961 I979 T987 V1039 I1042	I961-A983 HydrophobicContact CG2-CB 4.09Å; I979-A983 WeakPolarHBondContact O-CB 3.47Å; I979-A983 PolarHBondContact O-N 3.14Å; A983-T987 VanDerWaalsContact O-CB 3.26Å; A983-T987 WeakPolarHBondContact O-CB 3.34Å; A983-T987 PolarHBondContact O-N 3.07Å; A983-T987 PolarHBondContact O-OG1 2.55Å; A983-V1039 HydrophobicContact CB-CG1 4.23Å; A983-I1042 HydrophobicContact CB-CB 4.49Å; A983-I1042 HydrophobicContact CB-CG2 3.99Å
984	L	95	Very high	91.4	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-52.7	174.9	175.6	63.1	0	0	0	111.4	I875 I876 M879 F895 Y903 I961 T980 F981 T982 L986 T987 E988	I875-L984 HydrophobicContact CB-CD1 4.19Å; I875-L984 HydrophobicContact CG2-CD1 3.36Å; I876-L984 HydrophobicContact CD1-CD2 4.32Å; I876-L984 HydrophobicContact CG1-CD2 3.84Å; M879-L984 HydrophobicContact SD-CB 4.47Å; M879-L984 HydrophobicContact SD-CD1 4.01Å; M879-L984 HydrophobicContact SD-CD2 4.22Å; M879-L984 HydrophobicContact SD-CG 4.48Å; F895-L984 HydrophobicContact CE2-CD2 4.12Å; Y903-L984 HydrophobicContact CE1-CD2 4.23Å; Y903-L984 HydrophobicContact CE2-CD2 3.96Å; Y903-L984 HydrophobicContact CE2-CG 3.88Å; Y903-L984 VanDerWaalsContact OH-CD1 3.29Å; Y903-L984 WeakPolarHBondContact OH-CD1 3.23Å; Y903-L984 WeakPolarHBondContact OH-CG 3.39Å; I961-L984 HydrophobicContact CD1-CD1 4.3Å; T980-L984 WeakPolarHBondContact O-CB 3.46Å; T980-L984 PolarHBondContact O-N 3.23Å; F981-L984 PolarHBondContact O-N 2.82Å; T982-L984 VanDerWaalsContact C-N 3.33Å; T982-L984 PolarHBondContact O-N 2.67Å; L984-L986 PolarHBondContact O-N 3.48Å; L984-T987 WeakPolarHBondContact O-CB 3.18Å; L984-T987 PolarHBondContact O-N 3.01Å; L984-E988 PolarHBondContact O-N 2.8Å
985	L	94	Very high	91.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.2	-49.4	-179.6	-172.8	82.8	0	0	0	111.6	Y903 F907 T908 F981 T982 T987 E988 L989 Y1014	Y903-L985 HydrophobicContact CD2-CD1 4.27Å; Y903-L985 HydrophobicContact CE2-CD1 4.36Å; F907-L985 HydrophobicContact CB-CD1 3.62Å; T908-L985 HydrophobicContact CG2-CD1 3.54Å; F981-L985 WeakPolarHBondContact O-CB 3.43Å; F981-L985 PolarHBondContact O-N 2.93Å; T982-L985 PolarHBondContact O-N 2.74Å; L985-T987 VanDerWaalsContact C-N 3.28Å; L985-T987 PolarHBondContact O-N 2.86Å; L985-E988 PolarHBondContact O-N 3.34Å; L985-L989 HydrophobicContact CD2-CD1 4.41Å; L985-L989 HydrophobicContact CG-CD1 4.25Å; L985-L989 HydrophobicContact CG-CG 4.43Å; L985-L989 WeakPolarHBondContact O-CG 3.4Å; L985-L989 PolarHBondContact O-N 3.28Å; L985-Y1014 VanDerWaalsContact CD2-CB 3.45Å; L985-Y1014 HydrophobicContact CD2-CD1 3.15Å; L985-Y1014 HydrophobicContact CD2-CD2 3.79Å; L985-Y1014 HydrophobicContact CD2-CE1 3.72Å; L985-Y1014 HydrophobicContact CD2-CE2 4.33Å; L985-Y1014 HydrophobicContact CD2-CG 3.16Å
986	L	94.5	Very high	91.9	Very high	43 Å²	43	13.9 Å²	13.9	23%	0.225	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-37.2	-179.9	-67.5	176	0	0	0	112	T982 L984 L990 L1011 V1039 T1043	T982-L986 HydrophobicContact CG2-CD1 3.97Å; T982-L986 HydrophobicContact CG2-CG 4.41Å; T982-L986 WeakPolarHBondContact O-CG 3.41Å; T982-L986 PolarHBondContact O-N 3.46Å; L984-L986 PolarHBondContact O-N 3.48Å; L986-L990 VanDerWaalsContact O-CB 3.24Å; L986-L990 WeakPolarHBondContact O-CB 3.07Å; L986-L990 PolarHBondContact O-N 3.13Å; L986-L1011 HydrophobicContact CD2-CD1 3.96Å; L986-V1039 HydrophobicContact CD1-CG1 4.05Å; L986-T1043 HydrophobicContact CB-CG2 3.9Å
987	T	94.3	Very high	91.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.8	-46.4	174.7	-62	0	0	0	0	110.8	I961 A983 L984 L985 L990 M991 S1046	I961-T987 HydrophobicContact CD1-CG2 4.46Å; A983-T987 VanDerWaalsContact O-CB 3.26Å; A983-T987 WeakPolarHBondContact O-CB 3.34Å; A983-T987 PolarHBondContact O-N 3.07Å; A983-T987 PolarHBondContact O-OG1 2.55Å; L984-T987 WeakPolarHBondContact O-CB 3.18Å; L984-T987 PolarHBondContact O-N 3.01Å; L985-T987 VanDerWaalsContact C-N 3.28Å; L985-T987 PolarHBondContact O-N 2.86Å; T987-L990 PolarHBondContact O-N 3.26Å; T987-M991 HydrophobicContact CG2-CG 4.38Å; T987-M991 VanDerWaalsContact O-CB 3.31Å; T987-M991 WeakPolarHBondContact O-CB 3.47Å; T987-M991 WeakPolarHBondContact O-CG 3.37Å; T987-M991 PolarHBondContact O-N 3.42Å; T987-S1046 VanDerWaalsContact CG2-OG 3.28Å; T987-S1046 WeakPolarHBondContact CG2-OG 3.36Å
988	E	93.4	Very high	91.6	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-63.9	-48.4	178.2	-70.1	-68	171.4	0	0	112.6	H871 R872 I875 Y903 T908 L984 L985 L990 M991 V992	H871-E988 IonicContact CD2-OE2 2.73Å; R872-E988 WeakPolarHBondContact CA-OE1 3.36Å; I875-E988 WeakPolarHBondContact CD1-OE1 3.25Å; Y903-E988 HydrophobicContact CE2-CG 4.3Å; Y903-E988 WeakPolarHBondContact OH-CG 3.5Å; Y903-E988 PolarHBondContact OH-OE1 3.4Å; Y903-E988 VanDerWaalsContact OH-OE1 3.12Å; T908-E988 HydrophobicContact CG2-CB 4.42Å; L984-E988 PolarHBondContact O-N 2.8Å; L985-E988 PolarHBondContact O-N 3.34Å; E988-L990 VanDerWaalsContact C-N 3.28Å; E988-L990 PolarHBondContact O-N 3Å; E988-M991 PolarHBondContact O-N 2.9Å; E988-M991 VanDerWaalsContact O-N 3.14Å; E988-V992 WeakPolarHBondContact O-CG2 3.45Å; E988-V992 PolarHBondContact O-N 2.87Å
989	L	93.3	Very high	91.7	Very high	14 Å²	14	27 Å²	27	7%	0.073	13%	0.131	C	C	.	.	H	α-helix	trans	-57.7	-45.2	178.6	-64.5	-178.9	0	0	0	110.5	P911 L985 M991 V992 A993 E1007 L1011	P911-L989 HydrophobicContact CB-CD2 4.14Å; P911-L989 HydrophobicContact CG-CD2 3.58Å; L985-L989 HydrophobicContact CD2-CD1 4.41Å; L985-L989 HydrophobicContact CG-CD1 4.25Å; L985-L989 HydrophobicContact CG-CG 4.43Å; L985-L989 WeakPolarHBondContact O-CG 3.4Å; L985-L989 PolarHBondContact O-N 3.28Å; L989-M991 PolarHBondContact O-N 3Å; L989-V992 PolarHBondContact O-N 3.49Å; L989-A993 WeakPolarHBondContact O-CB 3.37Å; L989-A993 PolarHBondContact O-N 3.46Å; L989-E1007 WeakPolarHBondContact CB-OE2 3.4Å; L989-E1007 VanDerWaalsContact CD2-OE2 3.31Å; L989-E1007 WeakPolarHBondContact CD2-OE2 3.23Å; L989-L1011 HydrophobicContact CD1-CB 4.3Å; L989-L1011 HydrophobicContact CD1-CD1 4.29Å
990	L	93	Very high	91.5	Very high	68 Å²	68	31.6 Å²	31.6	36%	0.356	15%	0.152	S	C	.	.	H	α-helix	trans	-64.1	-42.8	176.6	-174.7	56.2	0	0	0	111.5	L986 T987 E988 V992 A993 I994 T1043 C1047	L986-L990 VanDerWaalsContact O-CB 3.24Å; L986-L990 WeakPolarHBondContact O-CB 3.07Å; L986-L990 PolarHBondContact O-N 3.13Å; T987-L990 PolarHBondContact O-N 3.26Å; E988-L990 VanDerWaalsContact C-N 3.28Å; E988-L990 PolarHBondContact O-N 3Å; L990-V992 PolarHBondContact O-N 3.24Å; L990-A993 PolarHBondContact O-N 2.94Å; L990-I994 HydrophobicContact CD1-CD1 3.95Å; L990-I994 HydrophobicContact CD1-CG1 4.21Å; L990-I994 HydrophobicContact CG-CD1 3.69Å; L990-I994 HydrophobicContact CG-CG1 4.42Å; L990-I994 WeakPolarHBondContact O-CB 3.38Å; L990-I994 VanDerWaalsContact O-CD1 3.24Å; L990-I994 WeakPolarHBondContact O-CD1 3.2Å; L990-I994 WeakPolarHBondContact O-CG1 3.14Å; L990-I994 PolarHBondContact O-N 2.95Å; L990-T1043 HydrophobicContact CD2-CG2 4.4Å; L990-C1047 HydrophobicContact CD2-CB 3.57Å; L990-C1047 HydrophobicContact CG-CB 4.24Å
991	M	92	Very high	91.5	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.02	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-37.5	178.2	-78.2	-62.8	-66.9	0	0	113.4	F868 W950 I953 T987 E988 L989 T995 I1050	F868-M991 HydrophobicContact CE1-CB 4.23Å; W950-M991 HydrophobicContact CH2-CE 4.4Å; W950-M991 HydrophobicContact CZ3-CE 4.16Å; I953-M991 HydrophobicContact CG2-CE 4.48Å; T987-M991 HydrophobicContact CG2-CG 4.38Å; T987-M991 VanDerWaalsContact O-CB 3.31Å; T987-M991 WeakPolarHBondContact O-CB 3.47Å; T987-M991 WeakPolarHBondContact O-CG 3.37Å; T987-M991 PolarHBondContact O-N 3.42Å; E988-M991 PolarHBondContact O-N 2.9Å; E988-M991 VanDerWaalsContact O-N 3.14Å; L989-M991 PolarHBondContact O-N 3Å; M991-T995 PolarHBondContact O-N 2.95Å; M991-T995 PolarHBondContact O-OG1 3.22Å; M991-I1050 HydrophobicContact CE-CG2 4.13Å; M991-I1050 HydrophobicContact SD-CD1 4.4Å; M991-I1050 HydrophobicContact SD-CG2 4.29Å
992	V	92.1	Very high	91.4	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-52.6	172.6	172.4	0	0	0	0	109.9	F868 P911 V912 L915 E988 L989 L990 I994 T995 I996 E1007	F868-V992 HydrophobicContact CD1-CG2 4.09Å; F868-V992 HydrophobicContact CE1-CG2 4.01Å; P911-V992 HydrophobicContact CB-CG1 4.03Å; V912-V992 HydrophobicContact CG2-CG2 3.94Å; L915-V992 HydrophobicContact CD2-CG1 4.25Å; L915-V992 HydrophobicContact CG-CG1 4.5Å; E988-V992 WeakPolarHBondContact O-CG2 3.45Å; E988-V992 PolarHBondContact O-N 2.87Å; L989-V992 PolarHBondContact O-N 3.49Å; L990-V992 PolarHBondContact O-N 3.24Å; V992-I994 VanDerWaalsContact C-N 3.26Å; V992-I994 PolarHBondContact O-N 3.32Å; V992-T995 PolarHBondContact O-N 3.45Å; V992-I996 HydrophobicContact CG1-CD1 4.23Å; V992-I996 PolarHBondContact O-N 3.29Å; V992-I996 VanDerWaalsContact O-N 3.15Å; V992-E1007 WeakPolarHBondContact CG1-OE1 3.5Å
993	A	91.3	Very high	91.4	Very high	25 Å²	25	42 Å²	42	21%	0.207	21%	0.206	C	C	.	.	H	α-helix	trans	-55	-38.8	178.2	0	0	0	0	0	113.3	L989 L990 T995 W999	L989-A993 WeakPolarHBondContact O-CB 3.37Å; L989-A993 PolarHBondContact O-N 3.46Å; L990-A993 PolarHBondContact O-N 2.94Å; A993-T995 PolarHBondContact O-N 2.95Å; A993-W999 HydrophobicContact CB-CH2 3.87Å; A993-W999 HydrophobicContact CB-CZ2 4.24Å; A993-W999 WeakPolarHBondContact O-CZ2 3.47Å
994	I	88.6	Confident	91.4	Very high	34 Å²	34	45.9 Å²	45.9	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-69	-22.9	178	-69.3	164.2	0	0	0	112.5	L990 V992 L1051 K1054	L990-I994 HydrophobicContact CD1-CD1 3.95Å; L990-I994 HydrophobicContact CD1-CG1 4.21Å; L990-I994 HydrophobicContact CG-CD1 3.69Å; L990-I994 HydrophobicContact CG-CG1 4.42Å; L990-I994 WeakPolarHBondContact O-CB 3.38Å; L990-I994 VanDerWaalsContact O-CD1 3.24Å; L990-I994 WeakPolarHBondContact O-CD1 3.2Å; L990-I994 WeakPolarHBondContact O-CG1 3.14Å; L990-I994 PolarHBondContact O-N 2.95Å; V992-I994 VanDerWaalsContact C-N 3.26Å; V992-I994 PolarHBondContact O-N 3.32Å; I994-L1051 HydrophobicContact CB-CD2 4.19Å; I994-L1051 HydrophobicContact CD1-CD1 3.66Å; I994-L1051 HydrophobicContact CD1-CD2 3.6Å; I994-L1051 HydrophobicContact CD1-CG 3.53Å; I994-L1051 HydrophobicContact CG1-CD1 4.38Å; I994-L1051 HydrophobicContact CG1-CD2 3.68Å; I994-L1051 HydrophobicContact CG1-CG 4.2Å; I994-L1051 HydrophobicContact CG2-CD2 3.44Å; I994-L1051 VanDerWaalsContact CG2-CD2 3.44Å; I994-L1051 HydrophobicContact CG2-CG 4.3Å; I994-K1054 HydrophobicContact CG2-CD 4.12Å; I994-K1054 PolarHBondContact O-NZ 3.36Å
995	T	86.2	Confident	91.4	Very high	31 Å²	31	50 Å²	50	19%	0.19	25%	0.248	C	C	.	.	H	α-helix	trans	-96.5	-26.2	-173.5	-58.3	0	0	0	0	113.9	F868 M991 V992 A993 R997 K1054	F868-T995 HydrophobicContact CE2-CG2 3.59Å; F868-T995 HydrophobicContact CZ-CG2 3.82Å; F868-T995 WeakPolarHBondContact CZ-OG1 3.46Å; M991-T995 PolarHBondContact O-N 2.95Å; M991-T995 PolarHBondContact O-OG1 3.22Å; V992-T995 PolarHBondContact O-N 3.45Å; A993-T995 PolarHBondContact O-N 2.95Å; T995-R997 PolarHBondContact O-N 3.12Å; T995-K1054 PolarHBondContact OG1-NZ 3.02Å
996	I	89.4	Confident	91.4	Very high	12 Å²	12	50.5 Å²	50.5	6%	0.062	25%	0.251	C	S	.	.			trans	-54.8	128.6	169.7	-66.9	167.4	0	0	0	109.6	L915 V992 W999 M1003	L915-I996 HydrophobicContact CD2-CG1 4.02Å; V992-I996 HydrophobicContact CG1-CD1 4.23Å; V992-I996 PolarHBondContact O-N 3.29Å; V992-I996 VanDerWaalsContact O-N 3.15Å; I996-W999 HydrophobicContact CB-CZ2 4.48Å; I996-W999 HydrophobicContact CD1-CE3 4.43Å; I996-W999 HydrophobicContact CD1-CH2 4.08Å; I996-W999 HydrophobicContact CD1-CZ3 4Å; I996-W999 HydrophobicContact CG2-CD2 3.98Å; I996-W999 HydrophobicContact CG2-CE3 4.38Å; I996-W999 HydrophobicContact CG2-CG 4.18Å; I996-M1003 HydrophobicContact CD1-CB 4.1Å; I996-M1003 HydrophobicContact CD1-CG 4.38Å; I996-M1003 HydrophobicContact CD1-SD 3.97Å; I996-M1003 HydrophobicContact CG1-SD 4.17Å; I996-M1003 HydrophobicContact CG2-CE 4.48Å; I996-M1003 HydrophobicContact CG2-SD 3.61Å
997	R	85.3	Confident	91.4	Very high	126 Å²	126	49.5 Å²	49.5	48%	0.475	25%	0.246	S	C	.	.	S	Bend	trans	-96.2	-44.9	175.5	-61.2	-176.1	-172.3	-177.8	8.2	111.5	D918 T995 Y1065	D918-R997 PolarHBondContact OD1-N 3.27Å; D918-R997 PolarHBondContact OD2-N 2.73Å; T995-R997 PolarHBondContact O-N 3.12Å; R997-Y1065 PolarHBondContact NH1-OH 3.42Å
998	T	87.2	Confident	91.4	Very high	59 Å²	59	53.8 Å²	53.8	36%	0.362	27%	0.271	S	S	.	.	S	Bend	trans	-114.3	111.8	-179.6	51.9	0	0	0	0	110	D918 K919 H1000 M1003	D918-T998 PolarHBondContact OD1-N 3.33Å; D918-T998 PolarHBondContact OD1-OG1 3Å; K919-T998 PolarHBondContact N-OG1 2.78Å; K919-T998 WeakPolarHBondContact O-CG2 3.05Å; K919-T998 PolarHBondContact O-OG1 2.87Å; K919-T998 VanDerWaalsContact O-OG1 3.14Å; T998-H1000 PolarHBondContact O-N 3.13Å; T998-M1003 VanDerWaalsContact O-SD 3.41Å
999	W	89.8	Confident	91.5	Very high	138 Å²	138	56.7 Å²	56.7	52%	0.523	29%	0.287	S	S	.	.			trans	-73.7	123.4	-179.3	-75.3	91.3	0	0	0	111.1	A993 I996 M1003 I1004	A993-W999 HydrophobicContact CB-CH2 3.87Å; A993-W999 HydrophobicContact CB-CZ2 4.24Å; A993-W999 WeakPolarHBondContact O-CZ2 3.47Å; I996-W999 HydrophobicContact CB-CZ2 4.48Å; I996-W999 HydrophobicContact CD1-CE3 4.43Å; I996-W999 HydrophobicContact CD1-CH2 4.08Å; I996-W999 HydrophobicContact CD1-CZ3 4Å; I996-W999 HydrophobicContact CG2-CD2 3.98Å; I996-W999 HydrophobicContact CG2-CE3 4.38Å; I996-W999 HydrophobicContact CG2-CG 4.18Å; W999-M1003 HydrophobicContact CE3-CB 4.45Å; W999-I1004 HydrophobicContact CE3-CD1 4.44Å; W999-I1004 HydrophobicContact CE3-CG1 3.62Å; W999-I1004 HydrophobicContact CZ3-CG1 4.01Å
1000	H	88.3	Confident	91.6	Very high	96 Å²	96	56 Å²	56	44%	0.444	28%	0.283	S	S	.	.			trans	-108.3	147.5	168.8	-166.4	-89.5	0	0	0	109.7	T998 L1002 M1003 I1004	T998-H1000 PolarHBondContact O-N 3.13Å; H1000-L1002 PolarHBondContact ND1-N 3.2Å; H1000-L1002 PolarHBondContact O-N 3.36Å; H1000-L1002 VanDerWaalsContact O-N 3.16Å; H1000-M1003 HydrophobicContact CB-CE 4.26Å; H1000-M1003 HydrophobicContact CB-CG 4.13Å; H1000-M1003 HydrophobicContact CB-SD 4.05Å; H1000-M1003 WeakPolarHBondContact O-CB 3.48Å; H1000-M1003 PolarHBondContact O-N 3.14Å; H1000-I1004 PolarHBondContact O-N 2.96Å
1001	L	92	Very high	91.6	Very high	133 Å²	133	56 Å²	56	70%	0.696	28%	0.283	S	S	*	.	H	α-helix	trans	-54.3	-39.2	-179.3	180	63.8	0	0	0	112.5	M1003 I1004 L1005	L1001-M1003 VanDerWaalsContact C-N 3.27Å; L1001-M1003 PolarHBondContact O-N 3.38Å; L1001-I1004 PolarHBondContact O-N 3.43Å; L1001-L1005 WeakPolarHBondContact O-CB 3.5Å; L1001-L1005 PolarHBondContact O-N 3.04Å
1002	L	92.7	Very high	91.7	Very high	96 Å²	96	58.2 Å²	58.2	50%	0.503	30%	0.302	S	S	.	.	H	α-helix	trans	-62.8	-30.1	176.9	-64.4	174.6	0	0	0	113.5	L917 H1000 A1006	L917-L1002 HydrophobicContact CD1-CB 3.77Å; L917-L1002 HydrophobicContact CD1-CD1 3.93Å; H1000-L1002 PolarHBondContact ND1-N 3.2Å; H1000-L1002 PolarHBondContact O-N 3.36Å; H1000-L1002 VanDerWaalsContact O-N 3.16Å; L1002-A1006 VanDerWaalsContact O-CB 3.26Å; L1002-A1006 WeakPolarHBondContact O-CB 3.41Å; L1002-A1006 PolarHBondContact O-N 3.41Å
1003	M	92.6	Very high	91.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-72.7	-43.2	176.3	-61	169.2	176	0	0	110.7	L917 D918 I996 T998 W999 H1000 L1001 L1005 A1006 E1007	L917-M1003 VanDerWaalsContact C-CE 3.44Å; L917-M1003 HydrophobicContact CB-CE 3.57Å; D918-M1003 HydrophobicContact CB-CE 3.93Å; D918-M1003 VanDerWaalsContact N-CE 3.34Å; I996-M1003 HydrophobicContact CD1-CB 4.1Å; I996-M1003 HydrophobicContact CD1-CG 4.38Å; I996-M1003 HydrophobicContact CD1-SD 3.97Å; I996-M1003 HydrophobicContact CG1-SD 4.17Å; I996-M1003 HydrophobicContact CG2-CE 4.48Å; I996-M1003 HydrophobicContact CG2-SD 3.61Å; T998-M1003 VanDerWaalsContact O-SD 3.41Å; W999-M1003 HydrophobicContact CE3-CB 4.45Å; H1000-M1003 HydrophobicContact CB-CE 4.26Å; H1000-M1003 HydrophobicContact CB-CG 4.13Å; H1000-M1003 HydrophobicContact CB-SD 4.05Å; H1000-M1003 WeakPolarHBondContact O-CB 3.48Å; H1000-M1003 PolarHBondContact O-N 3.14Å; L1001-M1003 VanDerWaalsContact C-N 3.27Å; L1001-M1003 PolarHBondContact O-N 3.38Å; M1003-L1005 VanDerWaalsContact C-N 3.3Å; M1003-L1005 PolarHBondContact O-N 3.49Å; M1003-A1006 WeakPolarHBondContact O-CB 3.45Å; M1003-A1006 PolarHBondContact O-N 3.4Å; M1003-A1006 VanDerWaalsContact O-N 3.17Å; M1003-E1007 WeakPolarHBondContact O-CG 3.45Å; M1003-E1007 PolarHBondContact O-N 3.29Å
1004	I	94.1	Very high	91.8	Very high	82 Å²	82	59.8 Å²	59.8	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-46.7	174.9	-58	174.1	0	0	0	109.6	W999 H1000 L1001 A1006 E1007 V1008	W999-I1004 HydrophobicContact CE3-CD1 4.44Å; W999-I1004 HydrophobicContact CE3-CG1 3.62Å; W999-I1004 HydrophobicContact CZ3-CG1 4.01Å; H1000-I1004 PolarHBondContact O-N 2.96Å; L1001-I1004 PolarHBondContact O-N 3.43Å; I1004-A1006 VanDerWaalsContact C-N 3.32Å; I1004-A1006 PolarHBondContact O-N 2.69Å; I1004-E1007 PolarHBondContact O-N 3.39Å; I1004-V1008 WeakPolarHBondContact O-CG2 3.43Å; I1004-V1008 PolarHBondContact O-N 3.41Å
1005	L	95.1	Very high	91.9	Very high	88 Å²	88	62.2 Å²	62.2	46%	0.461	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-39.8	176.9	-175.3	65	0	0	0	111.7	L1001 M1003 V1008 I1009	L1001-L1005 WeakPolarHBondContact O-CB 3.5Å; L1001-L1005 PolarHBondContact O-N 3.04Å; M1003-L1005 VanDerWaalsContact C-N 3.3Å; M1003-L1005 PolarHBondContact O-N 3.49Å; L1005-V1008 PolarHBondContact O-N 2.96Å; L1005-I1009 HydrophobicContact CD1-CD1 3.73Å; L1005-I1009 HydrophobicContact CD1-CG1 3.9Å; L1005-I1009 HydrophobicContact CD2-CD1 4.07Å; L1005-I1009 HydrophobicContact CG-CD1 3.54Å; L1005-I1009 HydrophobicContact CG-CG1 4.08Å; L1005-I1009 VanDerWaalsContact O-CB 3.26Å; L1005-I1009 WeakPolarHBondContact O-CB 3.28Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.36Å; L1005-I1009 PolarHBondContact O-N 3.36Å
1006	A	94.3	Very high	92	Very high	9 Å²	9	66 Å²	66	7%	0.074	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-45.5	177.5	0	0	0	0	0	112.2	F910 L1002 M1003 I1004 S1010	F910-A1006 HydrophobicContact CB-CB 3.79Å; L1002-A1006 VanDerWaalsContact O-CB 3.26Å; L1002-A1006 WeakPolarHBondContact O-CB 3.41Å; L1002-A1006 PolarHBondContact O-N 3.41Å; M1003-A1006 WeakPolarHBondContact O-CB 3.45Å; M1003-A1006 PolarHBondContact O-N 3.4Å; M1003-A1006 VanDerWaalsContact O-N 3.17Å; I1004-A1006 VanDerWaalsContact C-N 3.32Å; I1004-A1006 PolarHBondContact O-N 2.69Å; A1006-S1010 VanDerWaalsContact O-CB 3.31Å; A1006-S1010 WeakPolarHBondContact O-CB 3.29Å; A1006-S1010 PolarHBondContact O-N 3.2Å
1007	E	94.1	Very high	92	Very high	23 Å²	23	66.1 Å²	66.1	11%	0.107	34%	0.338	C	S	.	.	H	α-helix	trans	-60.4	-50.6	175.6	-69.5	-70.8	177.3	0	0	111.5	P911 L989 V992 M1003 I1004 I1009 S1010 L1011	P911-E1007 HydrophobicContact CB-CG 4.5Å; L989-E1007 WeakPolarHBondContact CB-OE2 3.4Å; L989-E1007 VanDerWaalsContact CD2-OE2 3.31Å; L989-E1007 WeakPolarHBondContact CD2-OE2 3.23Å; V992-E1007 WeakPolarHBondContact CG1-OE1 3.5Å; M1003-E1007 WeakPolarHBondContact O-CG 3.45Å; M1003-E1007 PolarHBondContact O-N 3.29Å; I1004-E1007 PolarHBondContact O-N 3.39Å; E1007-I1009 PolarHBondContact O-N 3.38Å; E1007-S1010 PolarHBondContact O-N 2.83Å; E1007-L1011 WeakPolarHBondContact O-CB 3.47Å; E1007-L1011 PolarHBondContact O-N 2.97Å
1008	V	95.2	Very high	92.1	Very high	89 Å²	89	61 Å²	61	54%	0.539	32%	0.32	S	S	.	.	H	α-helix	trans	-64.3	-43.8	-178.4	174	0	0	0	0	111.6	I1004 L1005 L1011 A1012	I1004-V1008 WeakPolarHBondContact O-CG2 3.43Å; I1004-V1008 PolarHBondContact O-N 3.41Å; L1005-V1008 PolarHBondContact O-N 2.96Å; V1008-L1011 PolarHBondContact O-N 2.88Å; V1008-A1012 VanDerWaalsContact O-CB 3.31Å; V1008-A1012 WeakPolarHBondContact O-CB 3.44Å; V1008-A1012 PolarHBondContact O-N 2.8Å
1009	I	95.2	Very high	92	Very high	63 Å²	63	62.6 Å²	62.6	32%	0.323	33%	0.325	S	S	.	.	H	α-helix	trans	-63.7	-45.1	177.8	-73.3	177.7	0	0	0	110.5	F910 L1005 E1007 L1011 A1012 I1013	F910-I1009 HydrophobicContact CD2-CG2 4.25Å; F910-I1009 HydrophobicContact CE2-CG2 4.32Å; L1005-I1009 HydrophobicContact CD1-CD1 3.73Å; L1005-I1009 HydrophobicContact CD1-CG1 3.9Å; L1005-I1009 HydrophobicContact CD2-CD1 4.07Å; L1005-I1009 HydrophobicContact CG-CD1 3.54Å; L1005-I1009 HydrophobicContact CG-CG1 4.08Å; L1005-I1009 VanDerWaalsContact O-CB 3.26Å; L1005-I1009 WeakPolarHBondContact O-CB 3.28Å; L1005-I1009 WeakPolarHBondContact O-CG1 3.36Å; L1005-I1009 PolarHBondContact O-N 3.36Å; E1007-I1009 PolarHBondContact O-N 3.38Å; I1009-L1011 VanDerWaalsContact C-N 3.33Å; I1009-L1011 PolarHBondContact O-N 2.95Å; I1009-A1012 PolarHBondContact O-N 2.84Å; I1009-I1013 HydrophobicContact CG2-CD1 3.55Å; I1009-I1013 HydrophobicContact CG2-CG1 4.14Å; I1009-I1013 VanDerWaalsContact O-CG1 3.25Å; I1009-I1013 WeakPolarHBondContact O-CG1 3.44Å; I1009-I1013 PolarHBondContact O-N 3.42Å
1010	S	94.3	Very high	91.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-44.1	178.4	-95.9	0	0	0	0	112.4	F907 P911 A1006 E1007 Y1014	F907-S1010 WeakPolarHBondContact O-CB 3.21Å; F907-S1010 PolarHBondContact O-OG 2.89Å; P911-S1010 WeakPolarHBondContact CD-OG 3.49Å; P911-S1010 WeakPolarHBondContact CG-OG 3.47Å; A1006-S1010 VanDerWaalsContact O-CB 3.31Å; A1006-S1010 WeakPolarHBondContact O-CB 3.29Å; A1006-S1010 PolarHBondContact O-N 3.2Å; E1007-S1010 PolarHBondContact O-N 2.83Å; S1010-Y1014 PolarHBondContact O-N 3.27Å; S1010-Y1014 VanDerWaalsContact O-N 3.1Å
1011	L	93.9	Very high	91.6	Very high	66 Å²	66	58 Å²	58	35%	0.346	32%	0.316	S	S	.	.	H	α-helix	trans	-63.5	-43.8	175.1	-175.1	63	0	0	0	111.5	L986 L989 E1007 V1008 I1009 Y1014 I1015	L986-L1011 HydrophobicContact CD2-CD1 3.96Å; L989-L1011 HydrophobicContact CD1-CB 4.3Å; L989-L1011 HydrophobicContact CD1-CD1 4.29Å; E1007-L1011 WeakPolarHBondContact O-CB 3.47Å; E1007-L1011 PolarHBondContact O-N 2.97Å; V1008-L1011 PolarHBondContact O-N 2.88Å; I1009-L1011 VanDerWaalsContact C-N 3.33Å; I1009-L1011 PolarHBondContact O-N 2.95Å; L1011-Y1014 PolarHBondContact O-N 3.04Å; L1011-I1015 HydrophobicContact CD1-CD1 4.3Å; L1011-I1015 HydrophobicContact CG-CD1 3.93Å; L1011-I1015 VanDerWaalsContact O-CG1 3.31Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.25Å; L1011-I1015 PolarHBondContact O-N 2.91Å
1012	A	94.1	Very high	90.9	Very high	52 Å²	52	58.8 Å²	58.8	43%	0.43	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-43.4	178.8	0	0	0	0	0	112.7	V1008 I1009 Y1014 I1015 M1016	V1008-A1012 VanDerWaalsContact O-CB 3.31Å; V1008-A1012 WeakPolarHBondContact O-CB 3.44Å; V1008-A1012 PolarHBondContact O-N 2.8Å; I1009-A1012 PolarHBondContact O-N 2.84Å; A1012-Y1014 VanDerWaalsContact C-N 3.27Å; A1012-Y1014 PolarHBondContact O-N 2.82Å; A1012-I1015 PolarHBondContact O-N 2.8Å; A1012-M1016 WeakPolarHBondContact O-CB 3.36Å; A1012-M1016 PolarHBondContact O-N 3.16Å
1013	I	93.4	Very high	90.1	Very high	55 Å²	55	58.8 Å²	58.8	28%	0.282	33%	0.328	S	S	.	.	H	α-helix	trans	-60.5	-41.5	175.9	-68.2	167.5	0	0	0	110	V906 F907 F910 I1009 M1016 A1017	V906-I1013 HydrophobicContact CG1-CG2 3.76Å; F907-I1013 HydrophobicContact CD1-CG2 3.99Å; F907-I1013 HydrophobicContact CE1-CG2 4.11Å; F910-I1013 HydrophobicContact CD2-CD1 4.48Å; F910-I1013 HydrophobicContact CE2-CD1 3.98Å; I1009-I1013 HydrophobicContact CG2-CD1 3.55Å; I1009-I1013 HydrophobicContact CG2-CG1 4.14Å; I1009-I1013 VanDerWaalsContact O-CG1 3.25Å; I1009-I1013 WeakPolarHBondContact O-CG1 3.44Å; I1009-I1013 PolarHBondContact O-N 3.42Å; I1013-M1016 PolarHBondContact O-N 3.32Å; I1013-A1017 WeakPolarHBondContact O-CB 3.09Å; I1013-A1017 PolarHBondContact O-N 3.33Å
1014	Y	92.1	Very high	89.5	Confident	4 Å²	4	64 Å²	64	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-69.2	-43.9	178.5	179.3	-114.9	0	0	0	113.1	F907 F981 T982 L985 S1010 L1011 A1012 M1016 A1017 L1018	F907-Y1014 HydrophobicContact CD1-CD2 4.4Å; F907-Y1014 HydrophobicContact CD2-CD2 4.43Å; F907-Y1014 HydrophobicContact CG-CD2 4.39Å; F981-Y1014 AromaticContact CD1-CE2 3.53Å; F981-Y1014 HydrophobicContact CD1-CE2 3.53Å; F981-Y1014 AromaticContact CD1-CZ 3.85Å; F981-Y1014 HydrophobicContact CE1-CD2 4.16Å; F981-Y1014 AromaticContact CE1-CE2 3.49Å; F981-Y1014 HydrophobicContact CE1-CE2 3.49Å; F981-Y1014 VanDerWaalsContact CE1-CE2 3.49Å; T982-Y1014 WeakPolarHBondContact CA-OH 3.14Å; T982-Y1014 HydrophobicContact CG2-CE1 4.14Å; T982-Y1014 PolarHBondContact N-OH 3.46Å; T982-Y1014 PolarHBondContact OG1-OH 3.03Å; L985-Y1014 VanDerWaalsContact CD2-CB 3.45Å; L985-Y1014 HydrophobicContact CD2-CD1 3.15Å; L985-Y1014 HydrophobicContact CD2-CD2 3.79Å; L985-Y1014 HydrophobicContact CD2-CE1 3.72Å; L985-Y1014 HydrophobicContact CD2-CE2 4.33Å; L985-Y1014 HydrophobicContact CD2-CG 3.16Å; S1010-Y1014 PolarHBondContact O-N 3.27Å; S1010-Y1014 VanDerWaalsContact O-N 3.1Å; L1011-Y1014 PolarHBondContact O-N 3.04Å; A1012-Y1014 VanDerWaalsContact C-N 3.27Å; A1012-Y1014 PolarHBondContact O-N 2.82Å; Y1014-M1016 PolarHBondContact O-N 2.89Å; Y1014-A1017 WeakPolarHBondContact O-CA 3.34Å; Y1014-A1017 VanDerWaalsContact O-CB 3.31Å; Y1014-A1017 WeakPolarHBondContact O-CB 3.03Å; Y1014-A1017 PolarHBondContact O-N 3.08Å; Y1014-L1018 HydrophobicContact CD1-CD1 4.1Å; Y1014-L1018 HydrophobicContact CD1-CG 4.38Å; Y1014-L1018 HydrophobicContact CE1-CD1 3.57Å; Y1014-L1018 HydrophobicContact CE1-CD2 4.35Å; Y1014-L1018 HydrophobicContact CE1-CG 3.96Å; Y1014-L1018 HydrophobicContact CE2-CD2 4.02Å; Y1014-L1018 HydrophobicContact CE2-CG 4.09Å; Y1014-L1018 WeakPolarHBondContact O-CG 3.34Å; Y1014-L1018 PolarHBondContact O-N 3.37Å
1015	I	89.9	Confident	88.8	Confident	84 Å²	84	60.2 Å²	60.2	43%	0.431	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-42.6	174.2	-69.3	167.6	0	0	0	110.1	L1011 A1012 A1017 L1018 I1019	L1011-I1015 HydrophobicContact CD1-CD1 4.3Å; L1011-I1015 HydrophobicContact CG-CD1 3.93Å; L1011-I1015 VanDerWaalsContact O-CG1 3.31Å; L1011-I1015 WeakPolarHBondContact O-CG1 3.25Å; L1011-I1015 PolarHBondContact O-N 2.91Å; A1012-I1015 PolarHBondContact O-N 2.8Å; I1015-A1017 VanDerWaalsContact C-N 3.33Å; I1015-A1017 PolarHBondContact O-N 3.37Å; I1015-L1018 PolarHBondContact O-N 3.45Å; I1015-I1019 HydrophobicContact CG2-CD1 3.95Å; I1015-I1019 VanDerWaalsContact O-CG1 3.31Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.42Å; I1015-I1019 PolarHBondContact O-N 3.04Å; I1015-I1019 VanDerWaalsContact O-N 3.12Å
1016	M	89.9	Confident	88.2	Confident	112 Å²	112	59 Å²	59	55%	0.552	32%	0.323	S	S	*	.	H	α-helix	trans	-63	-41	175.1	-172.5	58.3	175.3	0	0	111.8	A1012 I1013 Y1014 L1018 I1019 V1020	A1012-M1016 WeakPolarHBondContact O-CB 3.36Å; A1012-M1016 PolarHBondContact O-N 3.16Å; I1013-M1016 PolarHBondContact O-N 3.32Å; Y1014-M1016 PolarHBondContact O-N 2.89Å; M1016-L1018 VanDerWaalsContact C-N 3.35Å; M1016-L1018 PolarHBondContact O-N 3.49Å; M1016-I1019 PolarHBondContact O-N 3.44Å; M1016-V1020 HydrophobicContact CE-CG2 3.62Å; M1016-V1020 HydrophobicContact CG-CG2 4.18Å; M1016-V1020 WeakPolarHBondContact O-CB 3.49Å; M1016-V1020 VanDerWaalsContact O-CG2 3.29Å; M1016-V1020 WeakPolarHBondContact O-CG2 3.49Å; M1016-V1020 PolarHBondContact O-N 2.97Å; M1016-V1020 HydrophobicContact SD-CG2 3.99Å
1017	A	88.4	Confident	87.4	Confident	13 Å²	13	60.7 Å²	60.7	11%	0.107	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-42.4	176.2	0	0	0	0	0	111.9	F907 I1013 Y1014 I1015 I1019 V1020 M1021	F907-A1017 HydrophobicContact CE1-CB 3.8Å; F907-A1017 HydrophobicContact CZ-CB 3.95Å; I1013-A1017 WeakPolarHBondContact O-CB 3.09Å; I1013-A1017 PolarHBondContact O-N 3.33Å; Y1014-A1017 WeakPolarHBondContact O-CA 3.34Å; Y1014-A1017 VanDerWaalsContact O-CB 3.31Å; Y1014-A1017 WeakPolarHBondContact O-CB 3.03Å; Y1014-A1017 PolarHBondContact O-N 3.08Å; I1015-A1017 VanDerWaalsContact C-N 3.33Å; I1015-A1017 PolarHBondContact O-N 3.37Å; A1017-I1019 VanDerWaalsContact C-N 3.31Å; A1017-I1019 PolarHBondContact O-N 2.82Å; A1017-V1020 PolarHBondContact O-N 3.23Å; A1017-M1021 HydrophobicContact CB-CE 3.6Å; A1017-M1021 VanDerWaalsContact O-CB 3.28Å; A1017-M1021 WeakPolarHBondContact O-CB 3.33Å; A1017-M1021 WeakPolarHBondContact O-CG 3.05Å; A1017-M1021 PolarHBondContact O-N 3Å
1018	L	86.6	Confident	86.8	Confident	19 Å²	19	64.6 Å²	64.6	10%	0.099	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-36.7	174.3	-70	-178.9	0	0	0	112.7	Y1014 I1015 M1016 F1025 L1030	Y1014-L1018 HydrophobicContact CD1-CD1 4.1Å; Y1014-L1018 HydrophobicContact CD1-CG 4.38Å; Y1014-L1018 HydrophobicContact CE1-CD1 3.57Å; Y1014-L1018 HydrophobicContact CE1-CD2 4.35Å; Y1014-L1018 HydrophobicContact CE1-CG 3.96Å; Y1014-L1018 HydrophobicContact CE2-CD2 4.02Å; Y1014-L1018 HydrophobicContact CE2-CG 4.09Å; Y1014-L1018 WeakPolarHBondContact O-CG 3.34Å; Y1014-L1018 PolarHBondContact O-N 3.37Å; I1015-L1018 PolarHBondContact O-N 3.45Å; M1016-L1018 VanDerWaalsContact C-N 3.35Å; M1016-L1018 PolarHBondContact O-N 3.49Å; L1018-F1025 HydrophobicContact CD2-CB 4.36Å; L1018-F1025 HydrophobicContact CD2-CD1 3.45Å; L1018-F1025 VanDerWaalsContact CD2-CD1 3.45Å; L1018-F1025 HydrophobicContact CD2-CD2 3.86Å; L1018-F1025 HydrophobicContact CD2-CE1 3.55Å; L1018-F1025 HydrophobicContact CD2-CE2 3.95Å; L1018-F1025 HydrophobicContact CD2-CG 3.61Å; L1018-F1025 HydrophobicContact CD2-CZ 3.79Å; L1018-L1030 HydrophobicContact CB-CD1 3.97Å; L1018-L1030 HydrophobicContact CD1-CD1 4.33Å; L1018-L1030 HydrophobicContact CD2-CD1 4.11Å; L1018-L1030 HydrophobicContact CG-CD1 4.38Å
1019	I	85.7	Confident	86.2	Confident	92 Å²	92	60.9 Å²	60.9	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-75.3	-42.1	-179.7	-66.8	165.1	0	0	0	111.9	I1015 M1016 A1017	I1015-I1019 HydrophobicContact CG2-CD1 3.95Å; I1015-I1019 VanDerWaalsContact O-CG1 3.31Å; I1015-I1019 WeakPolarHBondContact O-CG1 3.42Å; I1015-I1019 PolarHBondContact O-N 3.04Å; I1015-I1019 VanDerWaalsContact O-N 3.12Å; M1016-I1019 PolarHBondContact O-N 3.44Å; A1017-I1019 VanDerWaalsContact C-N 3.31Å; A1017-I1019 PolarHBondContact O-N 2.82Å
1020	V	86	Confident	85.6	Confident	93 Å²	93	59 Å²	59	56%	0.564	33%	0.327	S	S	*	.	H	α-helix	trans	-75.2	-39.6	-175.8	173.3	0	0	0	0	111.3	M1016 A1017 K1022	M1016-V1020 HydrophobicContact CE-CG2 3.62Å; M1016-V1020 HydrophobicContact CG-CG2 4.18Å; M1016-V1020 WeakPolarHBondContact O-CB 3.49Å; M1016-V1020 VanDerWaalsContact O-CG2 3.29Å; M1016-V1020 WeakPolarHBondContact O-CG2 3.49Å; M1016-V1020 PolarHBondContact O-N 2.97Å; M1016-V1020 HydrophobicContact SD-CG2 3.99Å; A1017-V1020 PolarHBondContact O-N 3.23Å; V1020-K1022 VanDerWaalsContact C-N 3.28Å; V1020-K1022 PolarHBondContact O-N 3.12Å
1021	M	83.7	Confident	85	Confident	44 Å²	44	68.9 Å²	68.9	22%	0.217	36%	0.364	C	S	.	.			trans	-88.4	57.9	-172.1	-64.1	-169.3	-72.6	0	0	113.1	F898 L899 A1017 A1023 Y1024 F1025	F898-M1021 HydrophobicContact CD2-CE 4.46Å; F898-M1021 HydrophobicContact CD2-SD 3.97Å; F898-M1021 HydrophobicContact CE2-CE 3.66Å; F898-M1021 HydrophobicContact CE2-SD 3.31Å; F898-M1021 WeakPolarHBondContact CE2-SD 3.22Å; F898-M1021 HydrophobicContact CZ-SD 3.98Å; L899-M1021 HydrophobicContact CD2-CE 4.35Å; A1017-M1021 HydrophobicContact CB-CE 3.6Å; A1017-M1021 VanDerWaalsContact O-CB 3.28Å; A1017-M1021 WeakPolarHBondContact O-CB 3.33Å; A1017-M1021 WeakPolarHBondContact O-CG 3.05Å; A1017-M1021 PolarHBondContact O-N 3Å; M1021-A1023 PolarHBondContact O-N 2.9Å; M1021-A1023 VanDerWaalsContact O-N 3.08Å; M1021-Y1024 HydrophobicContact CB-CD2 4.47Å; M1021-Y1024 PolarHBondContact O-N 3.1Å; M1021-F1025 HydrophobicContact CB-CD2 3.96Å; M1021-F1025 HydrophobicContact CB-CE2 4.28Å; M1021-F1025 HydrophobicContact CE-CE2 3.93Å; M1021-F1025 PolarHBondContact O-N 2.94Å
1022	K	77.8	Confident	84.6	Confident	151 Å²	151	68.6 Å²	68.6	66%	0.657	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.5	178.7	-62.4	-175.4	-179.9	-179.2	0	114.5	V1020 Y1024	V1020-K1022 VanDerWaalsContact C-N 3.28Å; V1020-K1022 PolarHBondContact O-N 3.12Å; K1022-Y1024 VanDerWaalsContact C-N 3.27Å; K1022-Y1024 PolarHBondContact O-N 3.32Å
1023	A	76.7	Confident	84.2	Confident	96 Å²	96	73.1 Å²	73.1	79%	0.793	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-21.7	177.4	0	0	0	0	0	113.5	M1021	M1021-A1023 PolarHBondContact O-N 2.9Å; M1021-A1023 VanDerWaalsContact O-N 3.08Å
1024	Y	78.3	Confident	83.9	Confident	110 Å²	110	72 Å²	72	43%	0.431	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-27.7	-177	-64.2	-75	0	0	0	112.8	P896 F898 M1021 K1022	P896-Y1024 HydrophobicContact CB-CE1 4.35Å; P896-Y1024 HydrophobicContact CG-CD1 4.05Å; P896-Y1024 HydrophobicContact CG-CE1 4.24Å; F898-Y1024 HydrophobicContact CD1-CE2 4.2Å; F898-Y1024 AromaticContact CE1-CD1 3.79Å; F898-Y1024 HydrophobicContact CE1-CD1 3.79Å; F898-Y1024 AromaticContact CE1-CD2 3.56Å; F898-Y1024 HydrophobicContact CE1-CD2 3.56Å; F898-Y1024 AromaticContact CE1-CE1 3.65Å; F898-Y1024 HydrophobicContact CE1-CE1 3.65Å; F898-Y1024 AromaticContact CE1-CE2 3.39Å; F898-Y1024 HydrophobicContact CE1-CE2 3.39Å; F898-Y1024 AromaticContact CE1-CG 3.75Å; F898-Y1024 HydrophobicContact CE1-CG 3.75Å; F898-Y1024 AromaticContact CE1-CZ 3.44Å; F898-Y1024 VanDerWaalsContact CE1-CZ 3.44Å; F898-Y1024 HydrophobicContact CE2-CD2 4.48Å; F898-Y1024 HydrophobicContact CZ-CD1 4.12Å; F898-Y1024 AromaticContact CZ-CD2 3.42Å; F898-Y1024 HydrophobicContact CZ-CD2 3.42Å; F898-Y1024 VanDerWaalsContact CZ-CD2 3.42Å; F898-Y1024 HydrophobicContact CZ-CE1 4.39Å; F898-Y1024 AromaticContact CZ-CE2 3.73Å; F898-Y1024 HydrophobicContact CZ-CE2 3.73Å; F898-Y1024 AromaticContact CZ-CG 3.64Å; F898-Y1024 HydrophobicContact CZ-CG 3.64Å; M1021-Y1024 HydrophobicContact CB-CD2 4.47Å; M1021-Y1024 PolarHBondContact O-N 3.1Å; K1022-Y1024 VanDerWaalsContact C-N 3.27Å; K1022-Y1024 PolarHBondContact O-N 3.32Å
1025	F	81.3	Confident	83.7	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.009	38%	0.383	C	S	.	.	S	Bend	trans	-118.7	124.9	-179.1	-58.8	-76.4	0	0	0	110.4	L899 A978 L1018 M1021 S1027 L1030	L899-F1025 HydrophobicContact CD1-CZ 3.81Å; L899-F1025 HydrophobicContact CD2-CE2 4.25Å; L899-F1025 HydrophobicContact CD2-CZ 3.9Å; L899-F1025 HydrophobicContact CG-CZ 4.47Å; A978-F1025 HydrophobicContact CB-CD1 3.68Å; A978-F1025 HydrophobicContact CB-CE1 4.12Å; L1018-F1025 HydrophobicContact CD2-CB 4.36Å; L1018-F1025 HydrophobicContact CD2-CD1 3.45Å; L1018-F1025 VanDerWaalsContact CD2-CD1 3.45Å; L1018-F1025 HydrophobicContact CD2-CD2 3.86Å; L1018-F1025 HydrophobicContact CD2-CE1 3.55Å; L1018-F1025 HydrophobicContact CD2-CE2 3.95Å; L1018-F1025 HydrophobicContact CD2-CG 3.61Å; L1018-F1025 HydrophobicContact CD2-CZ 3.79Å; M1021-F1025 HydrophobicContact CB-CD2 3.96Å; M1021-F1025 HydrophobicContact CB-CE2 4.28Å; M1021-F1025 HydrophobicContact CE-CE2 3.93Å; M1021-F1025 PolarHBondContact O-N 2.94Å; F1025-S1027 PolarHBondContact O-N 3.37Å; F1025-L1030 HydrophobicContact CB-CD1 3.83Å
1026	D	81.5	Confident	83.7	Confident	63 Å²	63	71.8 Å²	71.8	34%	0.337	38%	0.384	S	S	.	.			trans	-75.3	107	172.5	-175.8	-8.2	0	0	0	109.9	H975 V1028 F1029 L1030	H975-D1026 IonicContact CE1-OD2 3.73Å; H975-D1026 IonicContact NE2-OD2 2.77Å; D1026-V1028 PolarHBondContact O-N 3.39Å; D1026-V1028 WeakPolarHBondContact OD1-CB 3.38Å; D1026-V1028 PolarHBondContact OD1-N 2.82Å; D1026-F1029 HydrophobicContact CB-CB 3.93Å; D1026-F1029 PolarHBondContact O-N 2.65Å; D1026-L1030 VanDerWaalsContact O-CG 3.3Å; D1026-L1030 WeakPolarHBondContact O-CG 3.47Å; D1026-L1030 PolarHBondContact O-N 3.23Å
1027	S	77.3	Confident	83.8	Confident	44 Å²	44	75.2 Å²	75.2	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-61.9	-24.3	179.7	61.2	0	0	0	0	114.1	F1025 R1031	F1025-S1027 PolarHBondContact O-N 3.37Å; S1027-R1031 WeakPolarHBondContact O-CG 3.41Å
1028	V	81.1	Confident	84	Confident	105 Å²	105	77.3 Å²	77.3	64%	0.636	40%	0.398	S	S	*	.	H	α-helix	trans	-75.1	-51.3	177.5	-178.8	0	0	0	0	109	D1026 L1030 R1031 T1032	D1026-V1028 PolarHBondContact O-N 3.39Å; D1026-V1028 WeakPolarHBondContact OD1-CB 3.38Å; D1026-V1028 PolarHBondContact OD1-N 2.82Å; V1028-L1030 VanDerWaalsContact C-N 3.34Å; V1028-L1030 PolarHBondContact O-N 3.09Å; V1028-R1031 PolarHBondContact O-N 3.32Å; V1028-T1032 PolarHBondContact O-OG1 3.19Å
1029	F	83.1	Confident	84.3	Confident	11 Å²	11	76.5 Å²	76.5	5%	0.048	39%	0.393	C	S	.	.	H	α-helix	trans	-57.9	-43.4	178.1	177.6	-112.6	0	0	0	113	F969 E972 H975 I979 D1026 R1031 T1032 F1035	F969-F1029 AromaticContact CD1-CZ 3.95Å; F969-F1029 HydrophobicContact CD1-CZ 3.95Å; F969-F1029 HydrophobicContact CE1-CE2 4.45Å; F969-F1029 AromaticContact CE1-CZ 3.75Å; F969-F1029 HydrophobicContact CE1-CZ 3.75Å; E972-F1029 HydrophobicContact CB-CE2 4.13Å; E972-F1029 HydrophobicContact CB-CZ 4.27Å; E972-F1029 VanDerWaalsContact CD-CE2 3.42Å; E972-F1029 HydrophobicContact CG-CE2 4.16Å; E972-F1029 WeakPolarHBondContact OE2-CE2 3.48Å; H975-F1029 HydrophobicContact CB-CD1 3.71Å; H975-F1029 HydrophobicContact CB-CE1 3.48Å; H975-F1029 VanDerWaalsContact CB-CE1 3.48Å; H975-F1029 HydrophobicContact CB-CZ 4.19Å; H975-F1029 AromaticContact CD2-CD1 3.71Å; H975-F1029 AromaticContact CD2-CD2 3.96Å; H975-F1029 AromaticContact CD2-CE1 4Å; H975-F1029 AromaticContact CD2-CG 3.68Å; H975-F1029 AromaticContact CG-CD1 3.66Å; H975-F1029 AromaticContact CG-CE1 3.9Å; I979-F1029 HydrophobicContact CD1-CE1 4.17Å; I979-F1029 HydrophobicContact CD1-CZ 4.08Å; I979-F1029 HydrophobicContact CG1-CE1 3.96Å; I979-F1029 HydrophobicContact CG1-CZ 4.2Å; D1026-F1029 HydrophobicContact CB-CB 3.93Å; D1026-F1029 PolarHBondContact O-N 2.65Å; F1029-R1031 PolarHBondContact O-N 2.97Å; F1029-T1032 VanDerWaalsContact O-CB 3.24Å; F1029-T1032 WeakPolarHBondContact O-CB 3.4Å; F1029-T1032 PolarHBondContact O-N 3.39Å; F1029-T1032 VanDerWaalsContact O-N 3.08Å; F1029-T1032 PolarHBondContact O-OG1 2.88Å; F1029-F1035 HydrophobicContact CD1-CD2 4.13Å; F1029-F1035 AromaticContact CE1-CD2 3.48Å; F1029-F1035 HydrophobicContact CE1-CD2 3.48Å; F1029-F1035 VanDerWaalsContact CE1-CD2 3.48Å; F1029-F1035 HydrophobicContact CE1-CE2 4.07Å; F1029-F1035 HydrophobicContact CE1-CG 4.34Å; F1029-F1035 HydrophobicContact CZ-CB 4.37Å; F1029-F1035 AromaticContact CZ-CD2 3.88Å; F1029-F1035 HydrophobicContact CZ-CD2 3.88Å; F1029-F1035 WeakPolarHBondContact O-CB 3.45Å
1030	L	82.6	Confident	84.6	Confident	24 Å²	24	76.5 Å²	76.5	13%	0.126	39%	0.394	C	S	.	.	H	α-helix	trans	-62.2	-26	-179.9	-72.7	176.9	0	0	0	114.2	A978 L1018 F1025 D1026 V1028 T1032 F1035	A978-L1030 HydrophobicContact CB-CD2 4.26Å; L1018-L1030 HydrophobicContact CB-CD1 3.97Å; L1018-L1030 HydrophobicContact CD1-CD1 4.33Å; L1018-L1030 HydrophobicContact CD2-CD1 4.11Å; L1018-L1030 HydrophobicContact CG-CD1 4.38Å; F1025-L1030 HydrophobicContact CB-CD1 3.83Å; D1026-L1030 VanDerWaalsContact O-CG 3.3Å; D1026-L1030 WeakPolarHBondContact O-CG 3.47Å; D1026-L1030 PolarHBondContact O-N 3.23Å; V1028-L1030 VanDerWaalsContact C-N 3.34Å; V1028-L1030 PolarHBondContact O-N 3.09Å; L1030-T1032 VanDerWaalsContact C-N 3.33Å; L1030-F1035 HydrophobicContact CD2-CD1 4.19Å; L1030-F1035 HydrophobicContact CD2-CD2 4.36Å; L1030-F1035 HydrophobicContact CD2-CE1 3.56Å; L1030-F1035 HydrophobicContact CD2-CE2 3.74Å; L1030-F1035 HydrophobicContact CD2-CZ 3.3Å; L1030-F1035 WeakPolarHBondContact O-CD1 3.39Å
1031	R	81.4	Confident	85	Confident	207 Å²	207	73.4 Å²	73.4	78%	0.781	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-8.9	179	-71.7	178.2	177	-167.3	-1	112.8	S1027 V1028 F1029	S1027-R1031 WeakPolarHBondContact O-CG 3.41Å; V1028-R1031 PolarHBondContact O-N 3.32Å; F1029-R1031 PolarHBondContact O-N 2.97Å
1032	T	86.2	Confident	85.5	Confident	60 Å²	60	71.5 Å²	71.5	37%	0.368	37%	0.369	S	S	.	.	S	Bend	trans	-67.9	134.3	-179.7	-55	0	0	0	0	110.5	V1028 F1029 L1030 G1034 F1035 V1036	V1028-T1032 PolarHBondContact O-OG1 3.19Å; F1029-T1032 VanDerWaalsContact O-CB 3.24Å; F1029-T1032 WeakPolarHBondContact O-CB 3.4Å; F1029-T1032 PolarHBondContact O-N 3.39Å; F1029-T1032 VanDerWaalsContact O-N 3.08Å; F1029-T1032 PolarHBondContact O-OG1 2.88Å; L1030-T1032 VanDerWaalsContact C-N 3.33Å; T1032-G1034 PolarHBondContact O-N 3.19Å; T1032-F1035 WeakPolarHBondContact O-CB 3.32Å; T1032-F1035 PolarHBondContact O-N 3.13Å; T1032-V1036 PolarHBondContact O-N 3.23Å
1033	I	86.3	Confident	86.2	Confident	147 Å²	147	64.7 Å²	64.7	75%	0.754	34%	0.34	S	S	*	.	H	α-helix	trans	-56.9	-36.3	176.7	-63.8	166.2	0	0	0	110.9	F1035 V1036 W1037	I1033-F1035 PolarHBondContact O-N 2.77Å; I1033-V1036 PolarHBondContact O-N 3.19Å; I1033-W1037 PolarHBondContact O-N 3.24Å
1034	G	86	Confident	87	Confident	30 Å²	30	61 Å²	61	31%	0.309	31%	0.31	S	S	.	.	H	α-helix	trans	-57.4	-44.2	174.3	0	0	0	0	0	113.2	T1032 K1038	T1032-G1034 PolarHBondContact O-N 3.19Å; G1034-K1038 WeakPolarHBondContact O-CB 3.04Å; G1034-K1038 WeakPolarHBondContact O-CD 3.29Å; G1034-K1038 WeakPolarHBondContact O-CG 3.33Å; G1034-K1038 PolarHBondContact O-N 3.19Å; G1034-K1038 VanDerWaalsContact O-N 3.07Å
1035	F	88.8	Confident	87.8	Confident	12 Å²	12	59.6 Å²	59.6	5%	0.053	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-51.1	175.2	171.7	-96.9	0	0	0	110.9	F969 I979 T982 F1029 L1030 T1032 I1033 V1039	F969-F1035 HydrophobicContact CE1-CD2 4.48Å; F969-F1035 HydrophobicContact CZ-CD2 4.46Å; I979-F1035 HydrophobicContact CG1-CD2 4.22Å; I979-F1035 HydrophobicContact CG1-CE2 4.05Å; T982-F1035 HydrophobicContact CG2-CE1 4.48Å; T982-F1035 HydrophobicContact CG2-CZ 4.12Å; F1029-F1035 HydrophobicContact CD1-CD2 4.13Å; F1029-F1035 AromaticContact CE1-CD2 3.48Å; F1029-F1035 HydrophobicContact CE1-CD2 3.48Å; F1029-F1035 VanDerWaalsContact CE1-CD2 3.48Å; F1029-F1035 HydrophobicContact CE1-CE2 4.07Å; F1029-F1035 HydrophobicContact CE1-CG 4.34Å; F1029-F1035 HydrophobicContact CZ-CB 4.37Å; F1029-F1035 AromaticContact CZ-CD2 3.88Å; F1029-F1035 HydrophobicContact CZ-CD2 3.88Å; F1029-F1035 WeakPolarHBondContact O-CB 3.45Å; L1030-F1035 HydrophobicContact CD2-CD1 4.19Å; L1030-F1035 HydrophobicContact CD2-CD2 4.36Å; L1030-F1035 HydrophobicContact CD2-CE1 3.56Å; L1030-F1035 HydrophobicContact CD2-CE2 3.74Å; L1030-F1035 HydrophobicContact CD2-CZ 3.3Å; L1030-F1035 WeakPolarHBondContact O-CD1 3.39Å; T1032-F1035 WeakPolarHBondContact O-CB 3.32Å; T1032-F1035 PolarHBondContact O-N 3.13Å; I1033-F1035 PolarHBondContact O-N 2.77Å; F1035-V1039 HydrophobicContact CD2-CG2 3.92Å; F1035-V1039 HydrophobicContact CE1-CG2 4.3Å; F1035-V1039 HydrophobicContact CE2-CG2 3.63Å; F1035-V1039 HydrophobicContact CG-CG2 4.39Å; F1035-V1039 HydrophobicContact CZ-CG2 3.83Å; F1035-V1039 VanDerWaalsContact O-CB 3.32Å; F1035-V1039 WeakPolarHBondContact O-CB 3.41Å; F1035-V1039 VanDerWaalsContact O-CG2 3.26Å; F1035-V1039 WeakPolarHBondContact O-CG2 3.32Å; F1035-V1039 PolarHBondContact O-N 3.28Å
1036	V	88.6	Confident	88.3	Confident	73 Å²	73	59.5 Å²	59.5	44%	0.442	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-52.8	-176	178.8	0	0	0	0	111.6	T1032 I1033 L1040	T1032-V1036 PolarHBondContact O-N 3.23Å; I1033-V1036 PolarHBondContact O-N 3.19Å; V1036-L1040 HydrophobicContact CG1-CD1 3.86Å; V1036-L1040 HydrophobicContact CG1-CG 4.48Å; V1036-L1040 WeakPolarHBondContact O-CB 3.35Å; V1036-L1040 WeakPolarHBondContact O-CG 3.39Å; V1036-L1040 PolarHBondContact O-N 3.08Å
1037	W	92	Very high	88.8	Confident	184 Å²	184	56.5 Å²	56.5	70%	0.697	30%	0.297	S	S	*	.	H	α-helix	trans	-66.3	-43.3	-178.5	167.8	-107.6	0	0	0	112.5	I1033 L1040 A1041	I1033-W1037 PolarHBondContact O-N 3.24Å; W1037-L1040 PolarHBondContact O-N 3.13Å; W1037-A1041 WeakPolarHBondContact O-CB 3.49Å; W1037-A1041 PolarHBondContact O-N 2.87Å
1038	K	92.8	Very high	89.4	Confident	57 Å²	57	58.9 Å²	58.9	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-42.3	179.3	-70.7	173.4	-179.8	-172.8	0	111.6	L968 F969 E972 G1034 A1041 I1042	L968-K1038 HydrophobicContact CB-CB 4.5Å; L968-K1038 HydrophobicContact CB-CD 4.34Å; L968-K1038 HydrophobicContact CB-CG 4.41Å; L968-K1038 WeakPolarHBondContact O-CD 3.28Å; L968-K1038 VanDerWaalsContact O-CE 3.22Å; L968-K1038 WeakPolarHBondContact O-CE 3.48Å; L968-K1038 PolarHBondContact O-NZ 3.21Å; F969-K1038 HydrophobicContact CD1-CD 3.86Å; F969-K1038 HydrophobicContact CD2-CB 4.44Å; F969-K1038 HydrophobicContact CD2-CD 4.25Å; F969-K1038 HydrophobicContact CE1-CB 4.1Å; F969-K1038 HydrophobicContact CE1-CD 3.48Å; F969-K1038 VanDerWaalsContact CE1-CD 3.48Å; F969-K1038 HydrophobicContact CE1-CG 4.46Å; F969-K1038 HydrophobicContact CE2-CB 3.46Å; F969-K1038 VanDerWaalsContact CE2-CB 3.46Å; F969-K1038 HydrophobicContact CE2-CD 3.9Å; F969-K1038 HydrophobicContact CE2-CG 4.32Å; F969-K1038 HydrophobicContact CG-CD 4.25Å; F969-K1038 HydrophobicContact CZ-CB 3.27Å; F969-K1038 HydrophobicContact CZ-CD 3.53Å; F969-K1038 HydrophobicContact CZ-CG 4.07Å; E972-K1038 IonicContact OE2-NZ 3.56Å; G1034-K1038 WeakPolarHBondContact O-CB 3.04Å; G1034-K1038 WeakPolarHBondContact O-CD 3.29Å; G1034-K1038 WeakPolarHBondContact O-CG 3.33Å; G1034-K1038 PolarHBondContact O-N 3.19Å; G1034-K1038 VanDerWaalsContact O-N 3.07Å; K1038-A1041 WeakPolarHBondContact O-CB 3.3Å; K1038-A1041 PolarHBondContact O-N 2.95Å; K1038-I1042 WeakPolarHBondContact O-CG1 3.44Å; K1038-I1042 PolarHBondContact O-N 3.26Å
1039	V	92.6	Very high	89.8	Confident	2 Å²	2	56 Å²	56	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-44.7	175.3	169.9	0	0	0	0	110.9	F969 I979 T982 A983 L986 F1035 A1041 I1042 T1043	F969-V1039 HydrophobicContact CZ-CG2 4.16Å; I979-V1039 HydrophobicContact CG2-CG2 4.25Å; T982-V1039 HydrophobicContact CG2-CG1 3.81Å; A983-V1039 HydrophobicContact CB-CG1 4.23Å; L986-V1039 HydrophobicContact CD1-CG1 4.05Å; F1035-V1039 HydrophobicContact CD2-CG2 3.92Å; F1035-V1039 HydrophobicContact CE1-CG2 4.3Å; F1035-V1039 HydrophobicContact CE2-CG2 3.63Å; F1035-V1039 HydrophobicContact CG-CG2 4.39Å; F1035-V1039 HydrophobicContact CZ-CG2 3.83Å; F1035-V1039 VanDerWaalsContact O-CB 3.32Å; F1035-V1039 WeakPolarHBondContact O-CB 3.41Å; F1035-V1039 VanDerWaalsContact O-CG2 3.26Å; F1035-V1039 WeakPolarHBondContact O-CG2 3.32Å; F1035-V1039 PolarHBondContact O-N 3.28Å; V1039-A1041 VanDerWaalsContact C-N 3.27Å; V1039-A1041 PolarHBondContact O-N 3.27Å; V1039-I1042 PolarHBondContact O-N 2.99Å; V1039-T1043 PolarHBondContact O-N 3.36Å; V1039-T1043 PolarHBondContact O-OG1 3.19Å
1040	L	92.9	Very high	90	Very high	92 Å²	92	56.4 Å²	56.4	48%	0.482	29%	0.291	S	S	.	.	H	α-helix	trans	-61.7	-35.4	175	-72.9	174.5	0	0	0	112.3	V1036 W1037 G1044	V1036-L1040 HydrophobicContact CG1-CD1 3.86Å; V1036-L1040 HydrophobicContact CG1-CG 4.48Å; V1036-L1040 WeakPolarHBondContact O-CB 3.35Å; V1036-L1040 WeakPolarHBondContact O-CG 3.39Å; V1036-L1040 PolarHBondContact O-N 3.08Å; W1037-L1040 PolarHBondContact O-N 3.13Å; L1040-G1044 PolarHBondContact O-N 3.29Å
1041	A	93.9	Very high	90.1	Very high	28 Å²	28	58.4 Å²	58.4	23%	0.231	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-45.5	174.2	0	0	0	0	0	111.3	W1037 K1038 V1039 G1044 V1045	W1037-A1041 WeakPolarHBondContact O-CB 3.49Å; W1037-A1041 PolarHBondContact O-N 2.87Å; K1038-A1041 WeakPolarHBondContact O-CB 3.3Å; K1038-A1041 PolarHBondContact O-N 2.95Å; V1039-A1041 VanDerWaalsContact C-N 3.27Å; V1039-A1041 PolarHBondContact O-N 3.27Å; A1041-G1044 PolarHBondContact O-N 3.03Å; A1041-V1045 VanDerWaalsContact O-CG2 3.31Å; A1041-V1045 WeakPolarHBondContact O-CG2 2.83Å; A1041-V1045 PolarHBondContact O-N 2.93Å
1042	I	93.6	Very high	90.3	Very high	4 Å²	4	53 Å²	53	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-49.5	175.5	-64.9	168.7	0	0	0	110.6	I961 L968 F969 I979 A983 K1038 V1039 G1044 V1045 S1046	I961-I1042 HydrophobicContact CB-CG2 4.39Å; I961-I1042 HydrophobicContact CG1-CG2 4.2Å; L968-I1042 HydrophobicContact CD1-CD1 4.16Å; L968-I1042 HydrophobicContact CD1-CG1 3.69Å; F969-I1042 HydrophobicContact CD2-CD1 4.43Å; F969-I1042 HydrophobicContact CE2-CD1 4.02Å; I979-I1042 HydrophobicContact CG2-CD1 4.23Å; A983-I1042 HydrophobicContact CB-CB 4.49Å; A983-I1042 HydrophobicContact CB-CG2 3.99Å; K1038-I1042 WeakPolarHBondContact O-CG1 3.44Å; K1038-I1042 PolarHBondContact O-N 3.26Å; V1039-I1042 PolarHBondContact O-N 2.99Å; I1042-G1044 VanDerWaalsContact C-N 3.32Å; I1042-G1044 PolarHBondContact O-N 3.4Å; I1042-V1045 PolarHBondContact O-N 2.97Å; I1042-S1046 VanDerWaalsContact O-CB 3.31Å; I1042-S1046 WeakPolarHBondContact O-CB 3.4Å; I1042-S1046 PolarHBondContact O-N 2.98Å
1043	T	93.7	Very high	90.2	Very high	8 Å²	8	55.6 Å²	55.6	5%	0.049	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-40.3	177.4	-60.1	0	0	0	0	111.6	L986 L990 V1039 S1046 C1047	L986-T1043 HydrophobicContact CB-CG2 3.9Å; L990-T1043 HydrophobicContact CD2-CG2 4.4Å; V1039-T1043 PolarHBondContact O-N 3.36Å; V1039-T1043 PolarHBondContact O-OG1 3.19Å; T1043-S1046 WeakPolarHBondContact O-CB 3.26Å; T1043-S1046 PolarHBondContact O-N 3.26Å; T1043-C1047 PolarHBondContact O-N 2.79Å
1044	G	93	Very high	90	Very high	17 Å²	17	52.7 Å²	52.7	18%	0.175	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-50.1	176.4	0	0	0	0	0	112.3	L1040 A1041 I1042 S1046 C1047 I1048	L1040-G1044 PolarHBondContact O-N 3.29Å; A1041-G1044 PolarHBondContact O-N 3.03Å; I1042-G1044 VanDerWaalsContact C-N 3.32Å; I1042-G1044 PolarHBondContact O-N 3.4Å; G1044-S1046 PolarHBondContact O-N 3.16Å; G1044-C1047 PolarHBondContact O-N 3.33Å; G1044-I1048 VanDerWaalsContact O-CB 3.23Å; G1044-I1048 WeakPolarHBondContact O-CB 3.42Å; G1044-I1048 WeakPolarHBondContact O-CD1 3.42Å; G1044-I1048 WeakPolarHBondContact O-CG1 2.86Å; G1044-I1048 PolarHBondContact O-N 2.79Å
1045	V	94.2	Very high	89.8	Confident	82 Å²	82	58 Å²	58	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-34.2	176.8	177	0	0	0	0	111.1	Y956 V960 A1041 I1042 P1049	Y956-V1045 PolarHBondContact OH-O 2.97Å; Y956-V1045 VanDerWaalsContact OH-O 3.11Å; V960-V1045 HydrophobicContact CG1-CB 4.06Å; V960-V1045 HydrophobicContact CG1-CG1 3.77Å; V960-V1045 HydrophobicContact CG2-CG1 4.49Å; A1041-V1045 VanDerWaalsContact O-CG2 3.31Å; A1041-V1045 WeakPolarHBondContact O-CG2 2.83Å; A1041-V1045 PolarHBondContact O-N 2.93Å; I1042-V1045 PolarHBondContact O-N 2.97Å; V1045-P1049 WeakPolarHBondContact O-CD 3.29Å; V1045-P1049 WeakPolarHBondContact O-CG 3.42Å
1046	S	92.9	Very high	89.4	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-41	176.4	-176.8	0	0	0	0	112.8	Q957 T987 I1042 T1043 G1044 I1050	Q957-S1046 WeakPolarHBondContact CB-OG 3.39Å; Q957-S1046 VanDerWaalsContact CG-OG 3.3Å; Q957-S1046 WeakPolarHBondContact CG-OG 3.36Å; Q957-S1046 PolarHBondContact NE2-O 3.2Å; T987-S1046 VanDerWaalsContact CG2-OG 3.28Å; T987-S1046 WeakPolarHBondContact CG2-OG 3.36Å; I1042-S1046 VanDerWaalsContact O-CB 3.31Å; I1042-S1046 WeakPolarHBondContact O-CB 3.4Å; I1042-S1046 PolarHBondContact O-N 2.98Å; T1043-S1046 WeakPolarHBondContact O-CB 3.26Å; T1043-S1046 PolarHBondContact O-N 3.26Å; G1044-S1046 PolarHBondContact O-N 3.16Å; S1046-I1050 VanDerWaalsContact O-CD1 3.27Å; S1046-I1050 WeakPolarHBondContact O-CD1 3.35Å
1047	C	91.8	Very high	88.9	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-99.8	-37.6	-171.5	-69	0	0	0	0	115.2	L990 T1043 G1044 I1050 L1051	L990-C1047 HydrophobicContact CD2-CB 3.57Å; L990-C1047 HydrophobicContact CG-CB 4.24Å; T1043-C1047 PolarHBondContact O-N 2.79Å; G1044-C1047 PolarHBondContact O-N 3.33Å; C1047-I1050 PolarHBondContact O-N 2.83Å; C1047-L1051 PolarHBondContact O-N 2.81Å
1048	I	90.3	Very high	88.1	Confident	93 Å²	93	60 Å²	60	48%	0.477	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-44.7	-172.1	-68.1	167.3	0	0	0	112.6	G1044 I1050 L1051 I1052	G1044-I1048 VanDerWaalsContact O-CB 3.23Å; G1044-I1048 WeakPolarHBondContact O-CB 3.42Å; G1044-I1048 WeakPolarHBondContact O-CD1 3.42Å; G1044-I1048 WeakPolarHBondContact O-CG1 2.86Å; G1044-I1048 PolarHBondContact O-N 2.79Å; I1048-I1050 VanDerWaalsContact C-N 3.28Å; I1048-I1050 PolarHBondContact O-N 2.86Å; I1048-L1051 VanDerWaalsContact O-CB 3.29Å; I1048-L1051 WeakPolarHBondContact O-CB 3.47Å; I1048-L1051 PolarHBondContact O-N 2.88Å; I1048-I1052 HydrophobicContact CG2-CD1 3.76Å; I1048-I1052 HydrophobicContact CG2-CG1 4.37Å; I1048-I1052 WeakPolarHBondContact O-CG1 3.42Å; I1048-I1052 PolarHBondContact O-N 3.45Å
1049	P	88.9	Confident	87.4	Confident	46 Å²	46	64.9 Å²	64.9	30%	0.299	33%	0.326	S	S	.	.	H	α-helix	trans	-62.4	-36.6	178.3	-27.8	40.3	0	0	0	112.6	Y956 V1045 I1052 L1053	Y956-P1049 WeakPolarHBondContact OH-CG 3.37Å; V1045-P1049 WeakPolarHBondContact O-CD 3.29Å; V1045-P1049 WeakPolarHBondContact O-CG 3.42Å; P1049-I1052 PolarHBondContact O-N 3.29Å; P1049-L1053 WeakPolarHBondContact O-CB 3.47Å; P1049-L1053 VanDerWaalsContact O-CG 3.27Å; P1049-L1053 WeakPolarHBondContact O-CG 3.29Å; P1049-L1053 PolarHBondContact O-N 2.84Å
1050	I	87.4	Confident	86.7	Confident	18 Å²	18	72.7 Å²	72.7	9%	0.092	36%	0.36	C	S	.	.	H	α-helix	trans	-68.6	-40.4	177.2	-62.7	163.8	0	0	0	110.6	I953 Y956 Q957 M991 S1046 C1047 I1048 L1053 K1054	I953-I1050 HydrophobicContact CG2-CD1 3.63Å; I953-I1050 HydrophobicContact CG2-CG1 4.46Å; Y956-I1050 HydrophobicContact CD1-CD1 4.2Å; Y956-I1050 HydrophobicContact CD1-CG1 4.45Å; Y956-I1050 HydrophobicContact CE1-CD1 4.47Å; Q957-I1050 VanDerWaalsContact CD-CD1 3.49Å; Q957-I1050 HydrophobicContact CG-CD1 3.61Å; M991-I1050 HydrophobicContact CE-CG2 4.13Å; M991-I1050 HydrophobicContact SD-CD1 4.4Å; M991-I1050 HydrophobicContact SD-CG2 4.29Å; S1046-I1050 VanDerWaalsContact O-CD1 3.27Å; S1046-I1050 WeakPolarHBondContact O-CD1 3.35Å; C1047-I1050 PolarHBondContact O-N 2.83Å; I1048-I1050 VanDerWaalsContact C-N 3.28Å; I1048-I1050 PolarHBondContact O-N 2.86Å; I1050-L1053 PolarHBondContact O-N 3.04Å; I1050-K1054 VanDerWaalsContact O-CB 3.27Å; I1050-K1054 WeakPolarHBondContact O-CB 3.37Å; I1050-K1054 PolarHBondContact O-N 2.98Å
1051	L	84.7	Confident	85.6	Confident	67 Å²	67	77.1 Å²	77.1	35%	0.351	37%	0.37	S	S	.	.	H	α-helix	trans	-56.2	-49.7	172.2	-88.2	168.1	0	0	0	112	I994 C1047 I1048 K1054 F1055	I994-L1051 HydrophobicContact CB-CD2 4.19Å; I994-L1051 HydrophobicContact CD1-CD1 3.66Å; I994-L1051 HydrophobicContact CD1-CD2 3.6Å; I994-L1051 HydrophobicContact CD1-CG 3.53Å; I994-L1051 HydrophobicContact CG1-CD1 4.38Å; I994-L1051 HydrophobicContact CG1-CD2 3.68Å; I994-L1051 HydrophobicContact CG1-CG 4.2Å; I994-L1051 HydrophobicContact CG2-CD2 3.44Å; I994-L1051 VanDerWaalsContact CG2-CD2 3.44Å; I994-L1051 HydrophobicContact CG2-CG 4.3Å; C1047-L1051 PolarHBondContact O-N 2.81Å; I1048-L1051 VanDerWaalsContact O-CB 3.29Å; I1048-L1051 WeakPolarHBondContact O-CB 3.47Å; I1048-L1051 PolarHBondContact O-N 2.88Å; L1051-K1054 PolarHBondContact O-N 3.44Å; L1051-F1055 WeakPolarHBondContact O-CB 3.4Å; L1051-F1055 PolarHBondContact O-N 2.98Å
1052	I	85.6	Confident	84.5	Confident	92 Å²	92	78.2 Å²	78.2	47%	0.472	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-47.6	179	-66.8	166.6	0	0	0	109.9	I1048 P1049 K1054 F1055 I1056	I1048-I1052 HydrophobicContact CG2-CD1 3.76Å; I1048-I1052 HydrophobicContact CG2-CG1 4.37Å; I1048-I1052 WeakPolarHBondContact O-CG1 3.42Å; I1048-I1052 PolarHBondContact O-N 3.45Å; P1049-I1052 PolarHBondContact O-N 3.29Å; I1052-K1054 VanDerWaalsContact C-N 3.33Å; I1052-K1054 PolarHBondContact O-N 3.45Å; I1052-F1055 PolarHBondContact O-N 3.45Å; I1052-I1056 HydrophobicContact CG2-CD1 3.64Å; I1052-I1056 HydrophobicContact CG2-CG1 4.31Å; I1052-I1056 WeakPolarHBondContact O-CB 3.46Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.3Å; I1052-I1056 PolarHBondContact O-N 2.77Å
1053	L	83.6	Confident	83.2	Confident	115 Å²	115	79.4 Å²	79.4	60%	0.602	38%	0.384	S	S	*	.	H	α-helix	trans	-59.9	-41.8	177.2	-74.9	171.1	0	0	0	112.3	P1049 I1050 H1057	P1049-L1053 WeakPolarHBondContact O-CB 3.47Å; P1049-L1053 VanDerWaalsContact O-CG 3.27Å; P1049-L1053 WeakPolarHBondContact O-CG 3.29Å; P1049-L1053 PolarHBondContact O-N 2.84Å; I1050-L1053 PolarHBondContact O-N 3.04Å; L1053-H1057 VanDerWaalsContact O-CB 3.31Å; L1053-H1057 WeakPolarHBondContact O-CB 3.47Å; L1053-H1057 PolarHBondContact O-N 3.43Å
1054	K	82	Confident	81.8	Confident	87 Å²	87	83.7 Å²	83.7	38%	0.378	41%	0.405	S	S	.	.	H	α-helix	trans	-65.8	-43.3	177.6	-173.3	179	-179.6	-177.9	0	111.3	I994 T995 I1050 L1051 I1052 H1057 Y1058	I994-K1054 HydrophobicContact CG2-CD 4.12Å; I994-K1054 PolarHBondContact O-NZ 3.36Å; T995-K1054 PolarHBondContact OG1-NZ 3.02Å; I1050-K1054 VanDerWaalsContact O-CB 3.27Å; I1050-K1054 WeakPolarHBondContact O-CB 3.37Å; I1050-K1054 PolarHBondContact O-N 2.98Å; L1051-K1054 PolarHBondContact O-N 3.44Å; I1052-K1054 VanDerWaalsContact C-N 3.33Å; I1052-K1054 PolarHBondContact O-N 3.45Å; K1054-H1057 PolarHBondContact O-N 2.71Å; K1054-Y1058 WeakPolarHBondContact O-CB 3.45Å; K1054-Y1058 PolarHBondContact O-N 3.44Å
1055	F	81.6	Confident	80.4	Confident	140 Å²	140	84.2 Å²	84.2	61%	0.614	40%	0.402	S	S	*	.	H	α-helix	trans	-63.6	-45.4	176.7	-176.5	-100	0	0	0	111.7	L1051 I1052 H1057 Y1058 K1059	L1051-F1055 WeakPolarHBondContact O-CB 3.4Å; L1051-F1055 PolarHBondContact O-N 2.98Å; I1052-F1055 PolarHBondContact O-N 3.45Å; F1055-H1057 VanDerWaalsContact C-N 3.35Å; F1055-H1057 PolarHBondContact O-N 3.35Å; F1055-Y1058 PolarHBondContact O-N 3.37Å; F1055-K1059 WeakPolarHBondContact O-CB 3.39Å; F1055-K1059 PolarHBondContact O-N 3.02Å
1056	I	82.1	Confident	78.9	Confident	75 Å²	75	81.4 Å²	81.4	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-57.4	-48.8	173.1	-72.6	172	0	0	0	110	I1052 Y1058 K1059 F1060	I1052-I1056 HydrophobicContact CG2-CD1 3.64Å; I1052-I1056 HydrophobicContact CG2-CG1 4.31Å; I1052-I1056 WeakPolarHBondContact O-CB 3.46Å; I1052-I1056 WeakPolarHBondContact O-CG1 3.3Å; I1052-I1056 PolarHBondContact O-N 2.77Å; I1056-Y1058 PolarHBondContact O-N 2.91Å; I1056-K1059 PolarHBondContact O-N 3.04Å; I1056-F1060 HydrophobicContact CG2-CD2 3.58Å; I1056-F1060 HydrophobicContact CG2-CE2 3.74Å; I1056-F1060 VanDerWaalsContact O-CD2 3.23Å; I1056-F1060 WeakPolarHBondContact O-CD2 3.22Å; I1056-F1060 PolarHBondContact O-N 3.21Å
1057	H	78	Confident	77.4	Confident	116 Å²	116	88.6 Å²	88.6	54%	0.537	42%	0.417	S	S	.	.	H	α-helix	trans	-61.6	-44	179.9	-168.7	78.1	0	0	0	112.4	L1053 K1054 F1055 K1059 F1060 R1061	L1053-H1057 VanDerWaalsContact O-CB 3.31Å; L1053-H1057 WeakPolarHBondContact O-CB 3.47Å; L1053-H1057 PolarHBondContact O-N 3.43Å; K1054-H1057 PolarHBondContact O-N 2.71Å; F1055-H1057 VanDerWaalsContact C-N 3.35Å; F1055-H1057 PolarHBondContact O-N 3.35Å; H1057-K1059 VanDerWaalsContact C-N 3.32Å; H1057-K1059 PolarHBondContact O-N 3.24Å; H1057-F1060 PolarHBondContact O-N 3.38Å; H1057-R1061 PolarHBondContact O-N 3Å
1058	Y	74.5	Confident	75.9	Confident	121 Å²	121	92 Å²	92	48%	0.475	44%	0.435	S	S	.	.	H	α-helix	trans	-61.7	-40.7	176.8	-176.4	-99.8	0	0	0	111.7	K1054 F1055 I1056 R1061 P1062	K1054-Y1058 WeakPolarHBondContact O-CB 3.45Å; K1054-Y1058 PolarHBondContact O-N 3.44Å; F1055-Y1058 PolarHBondContact O-N 3.37Å; I1056-Y1058 PolarHBondContact O-N 2.91Å; Y1058-R1061 CarbonylContact O-C 3.46Å; Y1058-P1062 WeakPolarHBondContact O-CA 3.3Å
1059	K	79	Confident	74.1	Confident	159 Å²	159	95 Å²	95	69%	0.691	45%	0.447	S	S	*	.	H	α-helix	trans	-68.1	-41.5	177.7	-169.5	173.6	-178.2	177.4	0	112.9	F1055 I1056 H1057	F1055-K1059 WeakPolarHBondContact O-CB 3.39Å; F1055-K1059 PolarHBondContact O-N 3.02Å; I1056-K1059 PolarHBondContact O-N 3.04Å; H1057-K1059 VanDerWaalsContact C-N 3.32Å; H1057-K1059 PolarHBondContact O-N 3.24Å
1060	F	77.1	Confident	73.4	Confident	166 Å²	166	97.5 Å²	97.5	73%	0.728	46%	0.455	S	S	*	.	H	α-helix	trans	-81.3	-28.1	-179.5	-79.1	-69.3	0	0	0	113.9	I1056 H1057	I1056-F1060 HydrophobicContact CG2-CD2 3.58Å; I1056-F1060 HydrophobicContact CG2-CE2 3.74Å; I1056-F1060 VanDerWaalsContact O-CD2 3.23Å; I1056-F1060 WeakPolarHBondContact O-CD2 3.22Å; I1056-F1060 PolarHBondContact O-N 3.21Å; H1057-F1060 PolarHBondContact O-N 3.38Å
1061	R	70.5	Confident	72.7	Confident	186 Å²	186	101.6 Å²	101.6	70%	0.702	47%	0.474	S	S	*	.	S	Bend	trans	-132.3	71.6	178.4	-68.2	-170.1	177	-168.1	-1	110.4	H1057 Y1058 S1063	H1057-R1061 PolarHBondContact O-N 3Å; Y1058-R1061 CarbonylContact O-C 3.46Å; R1061-S1063 PolarHBondContact O-N 2.68Å
1062	P	69.7	Low	72	Confident	50 Å²	50	103.6 Å²	103.6	33%	0.325	48%	0.48	S	S	.	.			trans	-58.9	139.4	173.5	23.4	-31.6	0	0	0	109.5	Y1058 S1066 K1067	Y1058-P1062 WeakPolarHBondContact O-CA 3.3Å; P1062-S1066 WeakPolarHBondContact CB-OG 3.36Å; P1062-K1067 HydrophobicContact CB-CG 4.47Å; P1062-K1067 HydrophobicContact CG-CG 4.38Å
1063	S	67.6	Low	71.2	Confident	30 Å²	30	104.2 Å²	104.2	21%	0.21	48%	0.481	C	S	.	.			trans	-59.6	157.4	176.8	66.7	0	0	0	0	111.9	R1061 Y1065 S1066 K1067	R1061-S1063 PolarHBondContact O-N 2.68Å; S1063-Y1065 PolarHBondContact O-N 3.04Å; S1063-Y1065 WeakPolarHBondContact OG-CD1 3.3Å; S1063-Y1065 WeakPolarHBondContact OG-CE1 2.74Å; S1063-Y1065 WeakPolarHBondContact OG-CE2 3.23Å; S1063-S1066 PolarHBondContact N-OG 3Å; S1063-S1066 VanDerWaalsContact N-OG 3.11Å; S1063-S1066 PolarHBondContact O-N 3.14Å; S1063-S1066 PolarHBondContact O-OG 3.25Å; S1063-S1066 VanDerWaalsContact OG-CB 3.31Å; S1063-S1066 WeakPolarHBondContact OG-CB 3.49Å; S1063-S1066 PolarHBondContact OG-N 3.16Å; S1063-S1066 PolarHBondContact OG-OG 2.72Å; S1063-K1067 PolarHBondContact O-N 3.38Å
1064	I	63.9	Low	70.4	Confident	97 Å²	97	103.6 Å²	103.6	50%	0.497	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-36	179.7	-63	166.5	0	0	0	111.3	L932 T935 K1067 L1068	L932-I1064 HydrophobicContact CD2-CG2 4.42Å; T935-I1064 HydrophobicContact CG2-CD1 3.92Å; I1064-K1067 PolarHBondContact O-N 2.62Å; I1064-L1068 HydrophobicContact CG2-CD1 4.06Å; I1064-L1068 WeakPolarHBondContact O-CG 3.42Å; I1064-L1068 PolarHBondContact O-N 2.93Å
1065	Y	63.9	Low	69.7	Low	29 Å²	29	104.7 Å²	104.7	11%	0.114	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-71.8	-36.7	179	68.9	-95.1	0	0	0	112.6	V921 R997 S1063 K1067 L1068 Q1069	V921-Y1065 HydrophobicContact CG1-CD1 4.42Å; V921-Y1065 HydrophobicContact CG1-CD2 4.02Å; V921-Y1065 HydrophobicContact CG1-CG 3.86Å; R997-Y1065 PolarHBondContact NH1-OH 3.42Å; S1063-Y1065 PolarHBondContact O-N 3.04Å; S1063-Y1065 WeakPolarHBondContact OG-CD1 3.3Å; S1063-Y1065 WeakPolarHBondContact OG-CE1 2.74Å; S1063-Y1065 WeakPolarHBondContact OG-CE2 3.23Å; Y1065-K1067 PolarHBondContact O-N 2.84Å; Y1065-L1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-L1068 PolarHBondContact O-N 3.05Å; Y1065-Q1069 PolarHBondContact O-N 2.93Å
1066	S	61.6	Low	68.8	Low	23 Å²	23	102.1 Å²	102.1	16%	0.161	47%	0.47	C	S	.	.	G	3₁₀ helix	trans	-72.5	-7.8	175.2	64.9	0	0	0	0	113.2	P1062 S1063	P1062-S1066 WeakPolarHBondContact CB-OG 3.36Å; S1063-S1066 PolarHBondContact N-OG 3Å; S1063-S1066 VanDerWaalsContact N-OG 3.11Å; S1063-S1066 PolarHBondContact O-N 3.14Å; S1063-S1066 PolarHBondContact O-OG 3.25Å; S1063-S1066 VanDerWaalsContact OG-CB 3.31Å; S1063-S1066 WeakPolarHBondContact OG-CB 3.49Å; S1063-S1066 PolarHBondContact OG-N 3.16Å; S1063-S1066 PolarHBondContact OG-OG 2.72Å
1067	K	62.5	Low	67.8	Low	150 Å²	150	104.2 Å²	104.2	65%	0.652	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-91.3	-19.5	167.2	-65.6	-179.6	178.8	-169.6	0	112.5	P1062 S1063 I1064 Y1065	P1062-K1067 HydrophobicContact CB-CG 4.47Å; P1062-K1067 HydrophobicContact CG-CG 4.38Å; S1063-K1067 PolarHBondContact O-N 3.38Å; I1064-K1067 PolarHBondContact O-N 2.62Å; Y1065-K1067 PolarHBondContact O-N 2.84Å
1068	L	59	Low	66.9	Low	71 Å²	71	103.3 Å²	103.3	37%	0.372	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-32.5	-180	-75.6	162.1	0	0	0	111.6	Y929 L932 I1064 Y1065	Y929-L1068 HydrophobicContact CD1-CD2 4.19Å; Y929-L1068 HydrophobicContact CE1-CD2 4.17Å; L932-L1068 HydrophobicContact CD2-CD1 3.86Å; L932-L1068 HydrophobicContact CG-CD1 4.41Å; I1064-L1068 HydrophobicContact CG2-CD1 4.06Å; I1064-L1068 WeakPolarHBondContact O-CG 3.42Å; I1064-L1068 PolarHBondContact O-N 2.93Å; Y1065-L1068 WeakPolarHBondContact O-CB 3.49Å; Y1065-L1068 PolarHBondContact O-N 3.05Å
1069	Q	53.8	Low	66.2	Low	157 Å²	157	101.6 Å²	101.6	73%	0.734	47%	0.471	S	S	*	.			trans	-69.5	0	159.8	-69.9	-179.2	-32.2	0	0	109.4	I925 Y1065	I925-Q1069 HydrophobicContact CD1-CG 4.24Å; Y1065-Q1069 PolarHBondContact O-N 2.93Å

Retrieved 1,069 of 1,069 residues in 364 ms (Link to these results)

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